A0A087XKP5_POEFO Loading...

Mitogen-activated protein kinase kinase kinase kinase

Serine/threonine kinase that plays a role in the response to environmental stress. Appears to act upstream of the JUN N-terminal pathway.

AlphaFold DB , UniProt , Accession A0A087XKP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 991 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
1M30.7Very low63.2Low237 Ų237101.2 Ų101.2100%1.16752%0.519SS*.  01230-73.7170.8170.700106.8S3M1-S3 PolarHBondContact O-N 3.38Å
2N34.2Very low65.3Low171 Ų17192.9 Ų92.991%0.91448%0.477SS*.  trans-79102.3-177.5-74.93.9000110S4N2-S4 PolarHBondContact O-N 2.65Å
3S40.6Very low67Low84 Ų8495.1 Ų95.159%0.58748%0.484SS*.  trans-85.779.2168.253.50000109.7M1 V5M1-S3 PolarHBondContact O-N 3.38Å; S3-V5 PolarHBondContact O-N 2.65Å
4S48.7Very low68.6Low92 Ų9296.1 Ų96.164%0.64349%0.486SS*.  trans-59129168.250.30000109.4N2 D6N2-S4 PolarHBondContact O-N 2.65Å; S4-D6 PolarHBondContact O-N 3.39Å
5V55.8Low70.1Confident16 Ų1690.9 Ų90.910%0.09746%0.46CS..  trans-73.7122.2174.8-171.70000108.1S3 L7 Q59 I62 L63S3-V5 PolarHBondContact O-N 2.65Å; V5-L7 HydrophobicContact CB-CD1 4.11Å; V5-L7 HydrophobicContact CB-CG 4.26Å; V5-L7 HydrophobicContact CG1-CD1 4.19Å; V5-L7 HydrophobicContact CG1-CG 3.87Å; V5-L7 PolarHBondContact O-N 3.35Å; V5-Q59 HydrophobicContact CB-CG 4.06Å; V5-Q59 HydrophobicContact CG2-CG 3.43Å; V5-Q59 VanDerWaalsContact CG2-CG 3.43Å; V5-I62 HydrophobicContact CG1-CG2 4.16Å; V5-L63 HydrophobicContact CG2-CD1 3.78Å; V5-L63 HydrophobicContact CG2-CD2 3.73Å; V5-L63 HydrophobicContact CG2-CG 3.53Å
6D64.3Low71.6Confident130 Ų13086.1 Ų86.170%0.69544%0.435SS*.  trans-67.670.9166.9-70.8-48.2000110.7S4 S8S4-D6 PolarHBondContact O-N 3.39Å; D6-S8 PolarHBondContact O-N 3.16Å
7L78Confident73Confident25 Ų2588.1 Ų88.113%0.13144%0.443CS..  trans-74.8106.5166.8-81150.9000107.8V5 R9 F55 Q59 I62 L81 L86V5-L7 HydrophobicContact CB-CD1 4.11Å; V5-L7 HydrophobicContact CB-CG 4.26Å; V5-L7 HydrophobicContact CG1-CD1 4.19Å; V5-L7 HydrophobicContact CG1-CG 3.87Å; V5-L7 PolarHBondContact O-N 3.35Å; L7-R9 PolarHBondContact O-N 3.43Å; L7-F55 HydrophobicContact CD1-CE1 3.54Å; L7-F55 HydrophobicContact CD1-CZ 3.48Å; L7-F55 VanDerWaalsContact CD1-CZ 3.48Å; L7-F55 HydrophobicContact CD2-CZ 4.25Å; L7-Q59 HydrophobicContact CD1-CG 4.32Å; L7-I62 HydrophobicContact CD2-CD1 3.85Å; L7-L81 HydrophobicContact CD2-CB 4.35Å; L7-L86 HydrophobicContact CD2-CD1 3.82Å
8S83.6Confident74.1Confident27 Ų2786.4 Ų86.419%0.18944%0.435CS..BIsolated β-bridgetrans-63124.3-179.6-178.40000110.3D6 R10 S79 Y80 L81D6-S8 PolarHBondContact O-N 3.16Å; S8-R10 VanDerWaalsContact C-N 3.29Å; S8-R10 WeakPolarHBondContact OG-CB 3.49Å; S8-R10 PolarHBondContact OG-N 3.13Å; S8-S79 PolarHBondContact N-O 2.67Å; S8-Y80 VanDerWaalsContact CB-CD1 3.44Å; S8-Y80 CarbonylContact O-C 3.47Å; S8-Y80 WeakPolarHBondContact O-CA 3.47Å; S8-Y80 WeakPolarHBondContact OG-CD1 3.47Å; S8-L81 PolarHBondContact O-N 3.44Å
9R85.9Confident75.1Confident179 Ų17986 Ų8668%0.67543%0.433SS*.  trans-85.8-3169.6-62.4-61.1-167.3159.33112.6L7 L81L7-R9 PolarHBondContact O-N 3.43Å; R9-L81 VanDerWaalsContact CD-O 3.26Å; R9-L81 WeakPolarHBondContact CD-O 3.49Å; R9-L81 PolarHBondContact NH1-O 2.89Å
10R87.1Confident76Confident128 Ų12887 Ų8748%0.48344%0.436SS..SBendtrans-65.3163174.7-59.2-168.7-67.3113.94.9110.4S8 P12 D15S8-R10 VanDerWaalsContact C-N 3.29Å; S8-R10 WeakPolarHBondContact OG-CB 3.49Å; S8-R10 PolarHBondContact OG-N 3.13Å; R10-P12 WeakPolarHBondContact O-CD 3.13Å; R10-D15 IonicContact CZ-OD1 2.66Å; R10-D15 IonicContact CZ-OD2 2.73Å; R10-D15 VanDerWaalsContact CZ-OD2 3.32Å; R10-D15 IonicContact NH1-OD1 3.87Å; R10-D15 PolarHBondContact NH1-OD1 3.13Å; R10-D15 IonicContact NH1-OD2 2.72Å; R10-D15 PolarHBondContact NH1-OD2 3.15Å; R10-D15 IonicContact NH2-OD1 3.61Å; R10-D15 IonicContact NH2-OD2 3.73Å; R10-D15 PolarHBondContact NH2-OD2 2.95Å
11N86.3Confident76.7Confident24 Ų2489.7 Ų89.713%0.12844%0.441CS..  trans-72.3119.8176.2-173.311.5000109.9Q13 E14 R82N11-Q13 PolarHBondContact O-N 3.24Å; N11-Q13 VanDerWaalsContact O-N 3.14Å; N11-Q13 PolarHBondContact OD1-N 3Å; N11-E14 HydrophobicContact CB-CB 4.42Å; N11-E14 VanDerWaalsContact CB-CD 3.43Å; N11-E14 HydrophobicContact CB-CG 3.88Å; N11-E14 WeakPolarHBondContact CB-OE1 3.3Å; N11-E14 WeakPolarHBondContact O-CB 3.42Å; N11-E14 PolarHBondContact O-N 3.4Å; N11-R82 PolarHBondContact ND2-NH1 2.98Å; N11-R82 PolarHBondContact OD1-NH1 3.44Å
12P88.8Confident79.4Confident2 Ų281.7 Ų81.71%0.01340%0.402CS..Hα-helixtrans-60.9-24.6176.322.6-31.9000112.6R10 E14 D15 F16 Y80 W87R10-P12 WeakPolarHBondContact O-CD 3.13Å; P12-E14 PolarHBondContact O-N 3.08Å; P12-D15 PolarHBondContact O-N 3.05Å; P12-F16 PolarHBondContact O-N 2.99Å; P12-Y80 HydrophobicContact CB-CD1 4.01Å; P12-Y80 HydrophobicContact CB-CD2 4.09Å; P12-Y80 HydrophobicContact CB-CG 3.82Å; P12-Y80 HydrophobicContact CG-CG 4.49Å; P12-W87 HydrophobicContact CB-CB 4.44Å; P12-W87 HydrophobicContact CB-CD2 3.86Å; P12-W87 HydrophobicContact CB-CE3 3.55Å; P12-W87 HydrophobicContact CB-CG 4.22Å; P12-W87 HydrophobicContact CB-CZ3 4.11Å; P12-W87 HydrophobicContact CG-CB 4.45Å; P12-W87 HydrophobicContact CG-CD2 3.38Å; P12-W87 HydrophobicContact CG-CE3 3.49Å; P12-W87 VanDerWaalsContact CG-CE3 3.49Å; P12-W87 HydrophobicContact CG-CG 3.79Å; P12-W87 HydrophobicContact CG-CH2 4.26Å; P12-W87 HydrophobicContact CG-CZ2 4.13Å; P12-W87 HydrophobicContact CG-CZ3 3.94Å
13Q87.6Confident81.6Confident121 Ų12174.9 Ų74.957%0.56537%0.372SS*.Hα-helixtrans-72.5-9.2175.6-56.4179.8-66.200114.2N11 F16 W87N11-Q13 PolarHBondContact O-N 3.24Å; N11-Q13 VanDerWaalsContact O-N 3.14Å; N11-Q13 PolarHBondContact OD1-N 3Å; Q13-F16 WeakPolarHBondContact CA-O 3.49Å; Q13-W87 HydrophobicContact CG-CH2 4.3Å
14E89.3Confident83.2Confident110 Ų11075 Ų7551%0.51437%0.373SS..Hα-helixtrans-84-24170-72.6156.6-153.600111.9N11 P12 V36N11-E14 HydrophobicContact CB-CB 4.42Å; N11-E14 VanDerWaalsContact CB-CD 3.43Å; N11-E14 HydrophobicContact CB-CG 3.88Å; N11-E14 WeakPolarHBondContact CB-OE1 3.3Å; N11-E14 WeakPolarHBondContact O-CB 3.42Å; N11-E14 PolarHBondContact O-N 3.4Å; P12-E14 PolarHBondContact O-N 3.08Å; E14-V36 WeakPolarHBondContact O-CG2 3.3Å
15D90.7Very high83.8Confident18 Ų1872.5 Ų72.510%0.09636%0.363CS..Hα-helixtrans-100.6-26.4178.2-67.7-18.3000112.1R10 P12 N35 V36 Y80R10-D15 IonicContact CZ-OD1 2.66Å; R10-D15 IonicContact CZ-OD2 2.73Å; R10-D15 VanDerWaalsContact CZ-OD2 3.32Å; R10-D15 IonicContact NH1-OD1 3.87Å; R10-D15 PolarHBondContact NH1-OD1 3.13Å; R10-D15 IonicContact NH1-OD2 2.72Å; R10-D15 PolarHBondContact NH1-OD2 3.15Å; R10-D15 IonicContact NH2-OD1 3.61Å; R10-D15 IonicContact NH2-OD2 3.73Å; R10-D15 PolarHBondContact NH2-OD2 2.95Å; P12-D15 PolarHBondContact O-N 3.05Å; D15-N35 WeakPolarHBondContact O-CA 3.4Å; D15-V36 PolarHBondContact O-N 2.91Å; D15-Y80 VanDerWaalsContact OD2-CE1 3.23Å; D15-Y80 WeakPolarHBondContact OD2-CE1 3.31Å; D15-Y80 PolarHBondContact OD2-OH 3.1Å
16F94.6Very high83.7Confident13 Ų1377.8 Ų77.86%0.05740%0.395CS..EExtended strand (participates in β ladder)trans-137.2130.5-174.1-64.4-82.7000114.3P12 Q13 A33 R34 N35 A42 I44 Y80 S89P12-F16 PolarHBondContact O-N 2.99Å; Q13-F16 WeakPolarHBondContact CA-O 3.49Å; F16-A33 HydrophobicContact CB-CB 4.24Å; F16-A33 HydrophobicContact CD1-CB 4.39Å; F16-R34 CarbonylContact C-O 3.58Å; F16-R34 VanDerWaalsContact CA-O 3.3Å; F16-R34 WeakPolarHBondContact CA-O 3.42Å; F16-N35 HydrophobicContact CD1-CB 4.13Å; F16-N35 HydrophobicContact CE1-CB 3.9Å; F16-A42 HydrophobicContact CD1-CB 4.21Å; F16-A42 HydrophobicContact CE1-CB 3.72Å; F16-I44 HydrophobicContact CD1-CD1 4.05Å; F16-I44 HydrophobicContact CD2-CD1 4.13Å; F16-I44 HydrophobicContact CE1-CD1 4.28Å; F16-I44 HydrophobicContact CE2-CD1 4.36Å; F16-I44 HydrophobicContact CG-CD1 3.98Å; F16-I44 HydrophobicContact CZ-CD1 4.44Å; F16-Y80 HydrophobicContact CD2-CE2 4.47Å; F16-Y80 HydrophobicContact CE2-CE2 4.05Å; F16-S89 WeakPolarHBondContact CZ-OG 3.31Å
17E94.3Very high83.5Confident121 Ų12174.3 Ų74.357%0.56537%0.372SS*.EExtended strand (participates in β ladder)trans-88.1121.4166.4-178.7-177.3-153.900109.8A33 R34 V36E17-A33 CarbonylContact O-C 3.6Å; E17-A33 WeakPolarHBondContact O-CA 3.48Å; E17-A33 VanDerWaalsContact O-CB 3.29Å; E17-A33 WeakPolarHBondContact O-CB 3.45Å; E17-R34 PolarHBondContact N-O 3.49Å; E17-R34 PolarHBondContact O-N 3.38Å; E17-V36 HydrophobicContact CB-CG1 4.24Å
18L93.3Very high83.3Confident58 Ų5874 Ų7430%0.30438%0.375SS..EExtended strand (participates in β ladder)trans-78.8125.2174.2-60.9-171.1000110.4Y31 A33 I44 W87L18-Y31 HydrophobicContact CD1-CD1 4.32Å; L18-Y31 HydrophobicContact CD1-CD2 4.28Å; L18-Y31 HydrophobicContact CD1-CG 4.11Å; L18-Y31 HydrophobicContact CD2-CG 4.44Å; L18-A33 HydrophobicContact CD2-CB 3.81Å; L18-I44 HydrophobicContact CD2-CB 4.15Å; L18-I44 HydrophobicContact CD2-CG1 4.07Å; L18-I44 HydrophobicContact CD2-CG2 4.28Å; L18-W87 HydrophobicContact CD1-CH2 3.86Å; L18-W87 HydrophobicContact CD1-CZ3 3.84Å; L18-W87 HydrophobicContact CD2-CZ3 4.07Å; L18-W87 HydrophobicContact CG-CZ3 4.18Å
19I93.7Very high83.4Confident78 Ų7874.9 Ų74.940%0.438%0.378SS..EExtended strand (participates in β ladder)trans-94.5-57.8-177.3-57.5175.7000111.1K32 R34 L41I19-K32 WeakPolarHBondContact CB-O 3.5Å; I19-K32 HydrophobicContact CD1-CG 4.35Å; I19-K32 PolarHBondContact N-O 3.04Å; I19-R34 HydrophobicContact CD1-CB 4.18Å; I19-L41 HydrophobicContact CD1-CD2 4Å
20Q92.2Very high83.7Confident105 Ų10567.8 Ų67.849%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-153.4152.5-176.165.7-177.762.100110.6I22 Y31 K32Q20-I22 HydrophobicContact CG-CG2 3.93Å; Q20-Y31 CarbonylContact O-C 3.26Å; Q20-Y31 VanDerWaalsContact O-CA 3.3Å; Q20-Y31 WeakPolarHBondContact O-CA 3.32Å; Q20-K32 HydrophobicContact CG-CB 3.96Å; Q20-K32 HydrophobicContact CG-CD 4.33Å; Q20-K32 PolarHBondContact N-O 3.44Å; Q20-K32 PolarHBondContact O-N 3.13Å
21R91.8Very high84Confident145 Ų14564.6 Ų64.655%0.54734%0.343SS..EExtended strand (participates in β ladder)trans-71.2133.2165.5-170.8171.762.9165.33.7108.7G23 D29 V30 Y31R21-G23 WeakPolarHBondContact CG-O 3.47Å; R21-D29 WeakPolarHBondContact CD-OD1 3.4Å; R21-D29 HydrophobicContact CG-CB 4.45Å; R21-D29 IonicContact CZ-OD1 3.07Å; R21-D29 IonicContact NE-OD1 3.2Å; R21-D29 IonicContact NH1-OD1 2.83Å; R21-D29 PolarHBondContact NH1-OD1 2.87Å; R21-V30 WeakPolarHBondContact CG-O 3.32Å; R21-Y31 HydrophobicContact CB-CD1 3.92Å; R21-Y31 HydrophobicContact CB-CE1 3.82Å; R21-Y31 HydrophobicContact CG-CD1 4.44Å; R21-Y31 HydrophobicContact CG-CE1 4.25Å
22I87.2Confident84.4Confident68 Ų6865.5 Ų65.535%0.34935%0.345SS..EExtended strand (participates in β ladder)trans-117-12.517958.3176.9000113.3Q20 V30 K32 A43 Y92Q20-I22 HydrophobicContact CG-CG2 3.93Å; I22-V30 HydrophobicContact CD1-CG1 4.01Å; I22-V30 HydrophobicContact CG1-CB 4.2Å; I22-V30 HydrophobicContact CG1-CG1 3.87Å; I22-V30 WeakPolarHBondContact CG1-O 3.48Å; I22-V30 PolarHBondContact N-O 2.78Å; I22-K32 HydrophobicContact CD1-CB 4.29Å; I22-K32 HydrophobicContact CG2-CB 3.65Å; I22-A43 HydrophobicContact CD1-CB 4.29Å; I22-Y92 HydrophobicContact CD1-CD2 4.1Å; I22-Y92 HydrophobicContact CD1-CE2 3.85Å
23G79.8Confident84.8Confident28 Ų2865.4 Ų65.429%0.28935%0.345SS..EExtended strand (participates in β ladder)trans-161.4160.4173.800000111.7R21 V30R21-G23 WeakPolarHBondContact CG-O 3.47Å; G23-V30 PolarHBondContact N-O 2.84Å; G23-V30 VanDerWaalsContact N-O 3.16Å; G23-V30 PolarHBondContact O-N 2.9Å
24S74.1Confident85.2Confident86 Ų8664.5 Ų64.560%0.60134%0.336SS*.EExtended strand (participates in β ladder)trans-137.7106.8174.1179.70000107.3
25G62.4Low85.4Confident41 Ų4160.8 Ų60.842%0.42332%0.32SS..EExtended strand (participates in β ladder)trans-102.9171.6178.200000112.1Y27 G28G25-Y27 PolarHBondContact O-N 2.78Å; G25-G28 PolarHBondContact N-O 3.41Å; G25-G28 PolarHBondContact O-N 2.77Å; G25-G28 VanDerWaalsContact O-N 3.09Å
26T52.3Low85.4Confident126 Ų12663.6 Ų63.677%0.77334%0.337SS*.THydrogen-bonded Turntrans-52.8-24.7178.2-37.60000114
27Y61.4Low85.3Confident58 Ų5869 Ų6923%0.22737%0.367CS..THydrogen-bonded Turntrans-108.1-3.8-173.7-39.2-79.4000113.6G25 I161 T162G25-Y27 PolarHBondContact O-N 2.78Å; Y27-I161 HydrophobicContact CD1-CG2 3.92Å; Y27-I161 HydrophobicContact CE1-CG2 4.16Å; Y27-T162 PolarHBondContact OH-OG1 2.96Å
28G74Confident85.2Confident18 Ų1867.2 Ų67.219%0.18636%0.364CS..EExtended strand (participates in β ladder)trans144.8177.3-178.800000115.7G25 V46G25-G28 PolarHBondContact N-O 3.41Å; G25-G28 PolarHBondContact O-N 2.77Å; G25-G28 VanDerWaalsContact O-N 3.09Å; G28-V46 WeakPolarHBondContact CA-O 3.18Å
29D85.7Confident85Confident45 Ų4566 Ų6624%0.24137%0.366CS..EExtended strand (participates in β ladder)trans-84.4144.9-176.3-66-63000112.2R21 Y31 V46R21-D29 WeakPolarHBondContact CD-OD1 3.4Å; R21-D29 HydrophobicContact CG-CB 4.45Å; R21-D29 IonicContact CZ-OD1 3.07Å; R21-D29 IonicContact NE-OD1 3.2Å; R21-D29 IonicContact NH1-OD1 2.83Å; R21-D29 PolarHBondContact NH1-OD1 2.87Å; D29-Y31 HydrophobicContact CB-CD2 4.25Å; D29-Y31 HydrophobicContact CB-CE2 3.45Å; D29-Y31 VanDerWaalsContact CB-CE2 3.45Å; D29-V46 PolarHBondContact N-O 3.34Å; D29-V46 PolarHBondContact O-N 2.85Å
30V90.3Very high85Confident30 Ų3068.6 Ų68.618%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-111.5128.9170.4-170.90000109.1R21 I22 G23 A43 I44 K45R21-V30 WeakPolarHBondContact CG-O 3.32Å; I22-V30 HydrophobicContact CD1-CG1 4.01Å; I22-V30 HydrophobicContact CG1-CB 4.2Å; I22-V30 HydrophobicContact CG1-CG1 3.87Å; I22-V30 WeakPolarHBondContact CG1-O 3.48Å; I22-V30 PolarHBondContact N-O 2.78Å; G23-V30 PolarHBondContact N-O 2.84Å; G23-V30 VanDerWaalsContact N-O 3.16Å; G23-V30 PolarHBondContact O-N 2.9Å; V30-A43 HydrophobicContact CG1-CB 4.3Å; V30-I44 WeakPolarHBondContact CA-O 3.34Å; V30-K45 HydrophobicContact CG2-CB 4.23Å; V30-K45 HydrophobicContact CG2-CD 4.23Å; V30-K45 HydrophobicContact CG2-CG 4.03Å
31Y93.6Very high85.1Confident62 Ų6266.4 Ų66.424%0.24337%0.368CS..EExtended strand (participates in β ladder)trans-115.7140.2-179.6-61.7-91.3000111.6L18 Q20 R21 D29 A43 I44 V46L18-Y31 HydrophobicContact CD1-CD1 4.32Å; L18-Y31 HydrophobicContact CD1-CD2 4.28Å; L18-Y31 HydrophobicContact CD1-CG 4.11Å; L18-Y31 HydrophobicContact CD2-CG 4.44Å; Q20-Y31 CarbonylContact O-C 3.26Å; Q20-Y31 VanDerWaalsContact O-CA 3.3Å; Q20-Y31 WeakPolarHBondContact O-CA 3.32Å; R21-Y31 HydrophobicContact CB-CD1 3.92Å; R21-Y31 HydrophobicContact CB-CE1 3.82Å; R21-Y31 HydrophobicContact CG-CD1 4.44Å; R21-Y31 HydrophobicContact CG-CE1 4.25Å; D29-Y31 HydrophobicContact CB-CD2 4.25Å; D29-Y31 HydrophobicContact CB-CE2 3.45Å; D29-Y31 VanDerWaalsContact CB-CE2 3.45Å; Y31-A43 CarbonylContact O-C 3.46Å; Y31-A43 WeakPolarHBondContact O-CA 3.13Å; Y31-I44 PolarHBondContact N-O 2.94Å; Y31-I44 PolarHBondContact O-N 2.73Å; Y31-V46 HydrophobicContact CD2-CG2 3.86Å; Y31-V46 HydrophobicContact CE2-CB 4.27Å; Y31-V46 HydrophobicContact CE2-CG2 3.94Å
32K95.6Very high85.3Confident42 Ų4259.6 Ų59.618%0.18334%0.342CS..EExtended strand (participates in β ladder)trans-73.1129159.4-179.4178.3-168.6158.80107.8I19 Q20 I22 L41 Y92I19-K32 WeakPolarHBondContact CB-O 3.5Å; I19-K32 HydrophobicContact CD1-CG 4.35Å; I19-K32 PolarHBondContact N-O 3.04Å; Q20-K32 HydrophobicContact CG-CB 3.96Å; Q20-K32 HydrophobicContact CG-CD 4.33Å; Q20-K32 PolarHBondContact N-O 3.44Å; Q20-K32 PolarHBondContact O-N 3.13Å; I22-K32 HydrophobicContact CD1-CB 4.29Å; I22-K32 HydrophobicContact CG2-CB 3.65Å; K32-L41 HydrophobicContact CG-CD2 4.49Å; K32-Y92 HydrophobicContact CB-CD2 4.43Å; K32-Y92 HydrophobicContact CB-CE2 3.99Å; K32-Y92 HydrophobicContact CD-CE1 4.31Å; K32-Y92 HydrophobicContact CD-CE2 3.81Å; K32-Y92 VanDerWaalsContact CE-CZ 3.47Å; K32-Y92 WeakPolarHBondContact CE-OH 3.4Å; K32-Y92 HydrophobicContact CG-CD2 4.1Å; K32-Y92 HydrophobicContact CG-CE2 3.71Å; K32-Y92 PolarHBondContact NZ-OH 2.85Å
33A96.2Very high85.6Confident0 Ų056.7 Ų56.70%033%0.328CS..EExtended strand (participates in β ladder)trans-131.7163.1178.400000111.3F16 E17 L18 L41 A42 I44F16-A33 HydrophobicContact CB-CB 4.24Å; F16-A33 HydrophobicContact CD1-CB 4.39Å; E17-A33 CarbonylContact O-C 3.6Å; E17-A33 WeakPolarHBondContact O-CA 3.48Å; E17-A33 VanDerWaalsContact O-CB 3.29Å; E17-A33 WeakPolarHBondContact O-CB 3.45Å; L18-A33 HydrophobicContact CD2-CB 3.81Å; A33-L41 WeakPolarHBondContact O-CA 3.42Å; A33-A42 PolarHBondContact N-O 2.88Å; A33-A42 PolarHBondContact O-N 2.67Å; A33-I44 HydrophobicContact CB-CD1 4.27Å; A33-I44 HydrophobicContact CB-CG1 3.39Å
34R96.1Very high86.3Confident103 Ų10355.5 Ų55.539%0.38932%0.315SS..EExtended strand (participates in β ladder)trans-114.9131.6170.1-169.6178.9-60.9-79.74.9109.3F16 E17 I19 V36 G39 E40F16-R34 CarbonylContact C-O 3.58Å; F16-R34 VanDerWaalsContact CA-O 3.3Å; F16-R34 WeakPolarHBondContact CA-O 3.42Å; E17-R34 PolarHBondContact N-O 3.49Å; E17-R34 PolarHBondContact O-N 3.38Å; I19-R34 HydrophobicContact CD1-CB 4.18Å; R34-V36 PolarHBondContact O-N 3.12Å; R34-G39 WeakPolarHBondContact CG-O 3.35Å; R34-G39 PolarHBondContact NH1-O 3.07Å; R34-E40 CarbonylContact C-O 3.36Å; R34-E40 WeakPolarHBondContact CA-O 3.32Å
35N93.6Very high87Confident32 Ų3251.8 Ų51.817%0.17129%0.288CS..EExtended strand (participates in β ladder)trans-66.3125.3168.2-174.4-70000108.8D15 F16 N37 T38 G39 E40D15-N35 WeakPolarHBondContact O-CA 3.4Å; F16-N35 HydrophobicContact CD1-CB 4.13Å; F16-N35 HydrophobicContact CE1-CB 3.9Å; N35-N37 PolarHBondContact O-N 2.9Å; N35-N37 WeakPolarHBondContact OD1-CA 3.15Å; N35-N37 WeakPolarHBondContact OD1-CB 3.26Å; N35-N37 PolarHBondContact OD1-N 2.98Å; N35-T38 WeakPolarHBondContact CB-OG1 3.36Å; N35-T38 PolarHBondContact OD1-N 3.01Å; N35-G39 VanDerWaalsContact O-CA 3.28Å; N35-G39 WeakPolarHBondContact O-CA 3.46Å; N35-G39 PolarHBondContact O-N 3Å; N35-E40 PolarHBondContact N-O 2.82Å
36V92.1Very high88.2Confident77 Ų7750.4 Ų50.447%0.46727%0.272SS..THydrogen-bonded Turntrans-70.5-21.2-173.2-54.50000113.2E14 D15 E17 R34E14-V36 WeakPolarHBondContact O-CG2 3.3Å; D15-V36 PolarHBondContact O-N 2.91Å; E17-V36 HydrophobicContact CB-CG1 4.24Å; R34-V36 PolarHBondContact O-N 3.12Å
37N90.9Very high89.7Confident127 Ų12744.9 Ų44.968%0.67924%0.238SC*.THydrogen-bonded Turntrans-94-41.7-177.3-59.2-66.6000112.3N35N35-N37 PolarHBondContact O-N 2.9Å; N35-N37 WeakPolarHBondContact OD1-CA 3.15Å; N35-N37 WeakPolarHBondContact OD1-CB 3.26Å; N35-N37 PolarHBondContact OD1-N 2.98Å
38T92.3Very high90.7Very high83 Ų8347.8 Ų47.851%0.50925%0.251SS..THydrogen-bonded Turntrans-96.7-18.2-17869.90000113.6N35 E40N35-T38 WeakPolarHBondContact CB-OG1 3.36Å; N35-T38 PolarHBondContact OD1-N 3.01Å; T38-E40 WeakPolarHBondContact CB-OE2 3.41Å; T38-E40 PolarHBondContact O-N 3.26Å; T38-E40 WeakPolarHBondContact OG1-CB 3.42Å; T38-E40 WeakPolarHBondContact OG1-CG 3.32Å; T38-E40 PolarHBondContact OG1-N 2.83Å; T38-E40 PolarHBondContact OG1-OE2 2.69Å
39G90.4Very high90.9Very high33 Ų3347.9 Ų47.934%0.3425%0.248SC..  trans73.8-2.7-173.800000114.5R34 N35R34-G39 WeakPolarHBondContact CG-O 3.35Å; R34-G39 PolarHBondContact NH1-O 3.07Å; N35-G39 VanDerWaalsContact O-CA 3.28Å; N35-G39 WeakPolarHBondContact O-CA 3.46Å; N35-G39 PolarHBondContact O-N 3Å
40E92.6Very high90.4Very high131 Ų13150 Ų5061%0.61226%0.256SS*.  trans-69.6153-179.4-65.2170.7133.900112.1R34 N35 T38R34-E40 CarbonylContact C-O 3.36Å; R34-E40 WeakPolarHBondContact CA-O 3.32Å; N35-E40 PolarHBondContact N-O 2.82Å; T38-E40 WeakPolarHBondContact CB-OE2 3.41Å; T38-E40 PolarHBondContact O-N 3.26Å; T38-E40 WeakPolarHBondContact OG1-CB 3.42Å; T38-E40 WeakPolarHBondContact OG1-CG 3.32Å; T38-E40 PolarHBondContact OG1-N 2.83Å; T38-E40 PolarHBondContact OG1-OE2 2.69Å
41L95.2Very high89.4Confident59 Ų5954.3 Ų54.331%0.30929%0.285SS..EExtended strand (participates in β ladder)trans-87.7137.4177.9-66.2175.1000111.3I19 K32 A33 Y92I19-L41 HydrophobicContact CD1-CD2 4Å; K32-L41 HydrophobicContact CG-CD2 4.49Å; A33-L41 WeakPolarHBondContact O-CA 3.42Å; L41-Y92 HydrophobicContact CB-CD1 3.89Å; L41-Y92 HydrophobicContact CB-CG 4.12Å; L41-Y92 HydrophobicContact CD1-CD1 3.92Å; L41-Y92 HydrophobicContact CD1-CE1 4.01Å
42A95.4Very high88.1Confident2 Ų255.5 Ų55.52%0.01732%0.316CS..EExtended strand (participates in β ladder)trans-131.6154.1173.900000110.5F16 A33 I44 F77 M90F16-A42 HydrophobicContact CD1-CB 4.21Å; F16-A42 HydrophobicContact CE1-CB 3.72Å; A33-A42 PolarHBondContact N-O 2.88Å; A33-A42 PolarHBondContact O-N 2.67Å; A42-I44 HydrophobicContact CB-CD1 4.3Å; A42-F77 HydrophobicContact CB-CD2 4.16Å; A42-F77 HydrophobicContact CB-CE2 4.18Å; A42-M90 WeakPolarHBondContact CA-O 3.18Å
43A94.4Very high86.7Confident7 Ų756.2 Ų56.26%0.05832%0.32CS..EExtended strand (participates in β ladder)trans-93.7134.8162.200000108.8I22 V30 Y31 M90I22-A43 HydrophobicContact CD1-CB 4.29Å; V30-A43 HydrophobicContact CG1-CB 4.3Å; Y31-A43 CarbonylContact O-C 3.46Å; Y31-A43 WeakPolarHBondContact O-CA 3.13Å; A43-M90 HydrophobicContact CB-CG 3.75Å; A43-M90 PolarHBondContact N-O 3.3Å; A43-M90 WeakPolarHBondContact O-CG 3.13Å; A43-M90 PolarHBondContact O-N 3.06Å
44I92.9Very high85.2Confident3 Ų360.4 Ų60.42%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-121106.5-178.9-55.5-61.6000108F16 L18 V30 Y31 A33 A42 V46 W87 I88 S89F16-I44 HydrophobicContact CD1-CD1 4.05Å; F16-I44 HydrophobicContact CD2-CD1 4.13Å; F16-I44 HydrophobicContact CE1-CD1 4.28Å; F16-I44 HydrophobicContact CE2-CD1 4.36Å; F16-I44 HydrophobicContact CG-CD1 3.98Å; F16-I44 HydrophobicContact CZ-CD1 4.44Å; L18-I44 HydrophobicContact CD2-CB 4.15Å; L18-I44 HydrophobicContact CD2-CG1 4.07Å; L18-I44 HydrophobicContact CD2-CG2 4.28Å; V30-I44 WeakPolarHBondContact CA-O 3.34Å; Y31-I44 PolarHBondContact N-O 2.94Å; Y31-I44 PolarHBondContact O-N 2.73Å; A33-I44 HydrophobicContact CB-CD1 4.27Å; A33-I44 HydrophobicContact CB-CG1 3.39Å; A42-I44 HydrophobicContact CB-CD1 4.3Å; I44-V46 HydrophobicContact CG2-CG2 3.96Å; I44-W87 HydrophobicContact CG2-CB 4.43Å; I44-W87 HydrophobicContact CG2-CD2 4.34Å; I44-W87 HydrophobicContact CG2-CE3 3.52Å; I44-W87 HydrophobicContact CG2-CZ3 4.15Å; I44-I88 WeakPolarHBondContact CA-O 3.27Å; I44-S89 WeakPolarHBondContact CD1-OG 3.45Å
45K88.9Confident83.9Confident8 Ų857.9 Ų57.94%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-87.9121.3174.1-174.7163.6-177.8174.10109.2V30 I47 W87 I88 M90 D154V30-K45 HydrophobicContact CG2-CB 4.23Å; V30-K45 HydrophobicContact CG2-CD 4.23Å; V30-K45 HydrophobicContact CG2-CG 4.03Å; K45-I47 HydrophobicContact CG-CG1 4.32Å; K45-W87 CarbonylContact O-C 3.5Å; K45-W87 WeakPolarHBondContact O-CA 3.33Å; K45-I88 HydrophobicContact CB-CB 4.43Å; K45-I88 PolarHBondContact N-O 3.5Å; K45-I88 PolarHBondContact O-N 3.45Å; K45-M90 HydrophobicContact CB-CE 3.71Å; K45-M90 HydrophobicContact CD-CE 4.41Å; K45-D154 IonicContact NZ-OD1 2.74Å; K45-D154 PolarHBondContact NZ-OD1 3.3Å; K45-D154 IonicContact NZ-OD2 2.77Å; K45-D154 PolarHBondContact NZ-OD2 3.31Å
46V88.7Confident82.5Confident13 Ų1359.1 Ų59.18%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-111.3105.6-176.4-175.70000109.1G28 D29 Y31 I44 K85 L86 W87G28-V46 WeakPolarHBondContact CA-O 3.18Å; D29-V46 PolarHBondContact N-O 3.34Å; D29-V46 PolarHBondContact O-N 2.85Å; Y31-V46 HydrophobicContact CD2-CG2 3.86Å; Y31-V46 HydrophobicContact CE2-CB 4.27Å; Y31-V46 HydrophobicContact CE2-CG2 3.94Å; I44-V46 HydrophobicContact CG2-CG2 3.96Å; V46-K85 HydrophobicContact CG1-CB 4.3Å; V46-K85 HydrophobicContact CG1-CD 3.99Å; V46-L86 WeakPolarHBondContact CA-O 3.43Å; V46-W87 HydrophobicContact CG1-CD2 4.45Å; V46-W87 HydrophobicContact CG1-CZ2 4.42Å; V46-W87 HydrophobicContact CG2-CD2 3.84Å; V46-W87 HydrophobicContact CG2-CE3 3.97Å; V46-W87 HydrophobicContact CG2-CG 4.29Å; V46-W87 HydrophobicContact CG2-CH2 4.48Å; V46-W87 HydrophobicContact CG2-CZ2 4.4Å; V46-W87 HydrophobicContact CG2-CZ3 4.3Å
47I83.8Confident80.9Confident10 Ų1056.9 Ų56.95%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-98.6128178.9-62.1168.3000107.8K45 L49 K85 L86 I88K45-I47 HydrophobicContact CG-CG1 4.32Å; I47-L49 HydrophobicContact CG2-CD2 4.22Å; I47-K85 CarbonylContact O-C 3.45Å; I47-K85 VanDerWaalsContact O-CA 3.31Å; I47-K85 WeakPolarHBondContact O-CA 3.28Å; I47-L86 HydrophobicContact CB-CB 4.38Å; I47-L86 HydrophobicContact CD1-CD2 4.37Å; I47-L86 PolarHBondContact N-O 3.26Å; I47-L86 PolarHBondContact O-N 2.93Å; I47-I88 HydrophobicContact CD1-CD1 3.91Å
48K82Confident79.8Confident118 Ų11851.1 Ų51.151%0.51331%0.305SS..EExtended strand (participates in β ladder)trans-84.5132168.7-169.9-164.1173.2-149.40107.8E50K48-E50 WeakPolarHBondContact CE-OE1 3.38Å; K48-E50 VanDerWaalsContact NZ-CD 3.34Å; K48-E50 IonicContact NZ-OE1 3.81Å; K48-E50 PolarHBondContact NZ-OE1 3.09Å; K48-E50 IonicContact NZ-OE2 3.12Å; K48-E50 PolarHBondContact NZ-OE2 3.34Å
49L78.1Confident78.6Confident21 Ų2150.1 Ų50.111%0.1129%0.294CS..PPolyproline II helixtrans-102.6136.4174.4-59170.1000108.4I47 E53 F55 V58 L81 D84 L86I47-L49 HydrophobicContact CG2-CD2 4.22Å; L49-E53 WeakPolarHBondContact CA-OE2 3.36Å; L49-F55 HydrophobicContact CD1-CD2 3.78Å; L49-F55 HydrophobicContact CD1-CE2 3.89Å; L49-V58 HydrophobicContact CD2-CG2 4.2Å; L49-L81 HydrophobicContact CD1-CD1 3.64Å; L49-D84 PolarHBondContact N-O 2.87Å; L49-L86 HydrophobicContact CD1-CB 4.28Å
50E74.6Confident77.2Confident88 Ų8854.1 Ų54.141%0.41130%0.304SS..PPolyproline II helixtrans-89.9149.3173.8-63.4-60.9157.900111.7K48 G52 E53K48-E50 WeakPolarHBondContact CE-OE1 3.38Å; K48-E50 VanDerWaalsContact NZ-CD 3.34Å; K48-E50 IonicContact NZ-OE1 3.81Å; K48-E50 PolarHBondContact NZ-OE1 3.09Å; K48-E50 IonicContact NZ-OE2 3.12Å; K48-E50 PolarHBondContact NZ-OE2 3.34Å; E50-G52 PolarHBondContact O-N 2.92Å; E50-E53 HydrophobicContact CB-CG 4.15Å; E50-E53 VanDerWaalsContact N-CD 3.32Å; E50-E53 PolarHBondContact N-OE2 3.45Å; E50-E53 PolarHBondContact O-N 2.89Å
51P70.2Confident75.7Confident122 Ų12248 Ų4879%0.79228%0.276SS*.THydrogen-bonded Turntrans-59.7120.8176.4-22.934.1000111.9
52G66.6Low74.6Confident87 Ų8745.3 Ų45.390%0.89726%0.262SS*.THydrogen-bonded Turntrans100.6-1.3179.700000115.4E50E50-G52 PolarHBondContact O-N 2.92Å
53E65.5Low73.3Confident57 Ų5746.3 Ų46.327%0.26627%0.266SS..  trans-69.2142.2170.3-70.5176.3166.400112L49 E50 F55 L165L49-E53 WeakPolarHBondContact CA-OE2 3.36Å; E50-E53 HydrophobicContact CB-CG 4.15Å; E50-E53 VanDerWaalsContact N-CD 3.32Å; E50-E53 PolarHBondContact N-OE2 3.45Å; E50-E53 PolarHBondContact O-N 2.89Å; E53-F55 PolarHBondContact O-N 2.9Å; E53-L165 VanDerWaalsContact OE1-CD2 3.25Å; E53-L165 WeakPolarHBondContact OE1-CD2 3.2Å; E53-L165 WeakPolarHBondContact OE1-CG 3.45Å
54D65.1Low72.1Confident88 Ų8848 Ų4847%0.47127%0.274SS..  trans-74.693.3178-173.53.7000111.3A56 V57 T164D54-A56 PolarHBondContact O-N 3.13Å; D54-A56 VanDerWaalsContact O-N 3.11Å; D54-A56 WeakPolarHBondContact OD1-CB 3.29Å; D54-A56 PolarHBondContact OD1-N 2.79Å; D54-V57 HydrophobicContact CB-CG2 4.31Å; D54-V57 PolarHBondContact O-N 2.84Å; D54-T164 HydrophobicContact CB-CG2 4.39Å
55F68.9Low71.2Confident49 Ų4948.7 Ų48.722%0.21528%0.277CS..Hα-helixtrans-58.3-21.2176.3-171.9-102.3000113.5L7 L49 E53 V57 V58 Q59 L81L7-F55 HydrophobicContact CD1-CE1 3.54Å; L7-F55 HydrophobicContact CD1-CZ 3.48Å; L7-F55 VanDerWaalsContact CD1-CZ 3.48Å; L7-F55 HydrophobicContact CD2-CZ 4.25Å; L49-F55 HydrophobicContact CD1-CD2 3.78Å; L49-F55 HydrophobicContact CD1-CE2 3.89Å; E53-F55 PolarHBondContact O-N 2.9Å; F55-V57 VanDerWaalsContact C-N 3.28Å; F55-V57 PolarHBondContact O-N 2.8Å; F55-V58 HydrophobicContact CD2-CB 4.3Å; F55-V58 HydrophobicContact CE2-CB 4.4Å; F55-V58 HydrophobicContact CE2-CG1 4.33Å; F55-V58 PolarHBondContact O-N 2.86Å; F55-Q59 HydrophobicContact CD1-CB 4.29Å; F55-Q59 HydrophobicContact CE1-CB 3.98Å; F55-Q59 HydrophobicContact CE1-CG 4.41Å; F55-Q59 VanDerWaalsContact O-CB 3.28Å; F55-Q59 WeakPolarHBondContact O-CB 3.31Å; F55-Q59 PolarHBondContact O-N 2.84Å; F55-L81 HydrophobicContact CD2-CD2 4.44Å; F55-L81 HydrophobicContact CE1-CD2 4.14Å; F55-L81 HydrophobicContact CE2-CD1 4.24Å; F55-L81 HydrophobicContact CE2-CD2 3.79Å; F55-L81 HydrophobicContact CZ-CD2 3.63Å
56A63.2Low70.7Confident58 Ų5852 Ų5248%0.47929%0.291SS..Hα-helixtrans-63.8-33.7177.800000112.3D54 Q59 Q60D54-A56 PolarHBondContact O-N 3.13Å; D54-A56 VanDerWaalsContact O-N 3.11Å; D54-A56 WeakPolarHBondContact OD1-CB 3.29Å; D54-A56 PolarHBondContact OD1-N 2.79Å; A56-Q59 PolarHBondContact O-N 2.84Å; A56-Q60 WeakPolarHBondContact O-CB 2.98Å; A56-Q60 PolarHBondContact O-N 2.87Å
57V59.7Low70.4Confident31 Ų3156.3 Ų56.319%0.18831%0.314CS..Hα-helixtrans-64.5-51.3175.4-178.70000110.2D54 F55 Q59 Q60 E61 Q160 I161 T164D54-V57 HydrophobicContact CB-CG2 4.31Å; D54-V57 PolarHBondContact O-N 2.84Å; F55-V57 VanDerWaalsContact C-N 3.28Å; F55-V57 PolarHBondContact O-N 2.8Å; V57-Q59 VanDerWaalsContact C-N 3.29Å; V57-Q59 PolarHBondContact O-N 3.26Å; V57-Q60 PolarHBondContact O-N 2.77Å; V57-E61 PolarHBondContact O-N 3.16Å; V57-E61 VanDerWaalsContact O-N 3.12Å; V57-Q160 HydrophobicContact CG1-CB 3.91Å; V57-I161 HydrophobicContact CG1-CG1 4.37Å; V57-T164 HydrophobicContact CG2-CG2 4.39Å
58V67Low70.4Confident6 Ų656 Ų564%0.03631%0.313CS..Hα-helixtrans-58.9-41.9177.7-173.30000111.1L49 F55 E61 I62 L86 I161L49-V58 HydrophobicContact CD2-CG2 4.2Å; F55-V58 HydrophobicContact CD2-CB 4.3Å; F55-V58 HydrophobicContact CE2-CB 4.4Å; F55-V58 HydrophobicContact CE2-CG1 4.33Å; F55-V58 PolarHBondContact O-N 2.86Å; V58-E61 PolarHBondContact O-N 3.33Å; V58-I62 WeakPolarHBondContact O-CG1 3.48Å; V58-I62 PolarHBondContact O-N 2.81Å; V58-I62 VanDerWaalsContact O-N 3.12Å; V58-L86 HydrophobicContact CG1-CD2 3.28Å; V58-I161 HydrophobicContact CB-CD1 4.24Å; V58-I161 HydrophobicContact CG1-CD1 4.09Å; V58-I161 HydrophobicContact CG2-CD1 3.89Å; V58-I161 HydrophobicContact CG2-CG1 3.96Å
59Q67.6Low70.7Confident62 Ų6258.6 Ų58.629%0.2932%0.324SS..Hα-helixtrans-65.7-39.2178.6-174.8177.5-41.700112.6V5 L7 F55 A56 V57 E61 I62 L63V5-Q59 HydrophobicContact CB-CG 4.06Å; V5-Q59 HydrophobicContact CG2-CG 3.43Å; V5-Q59 VanDerWaalsContact CG2-CG 3.43Å; L7-Q59 HydrophobicContact CD1-CG 4.32Å; F55-Q59 HydrophobicContact CD1-CB 4.29Å; F55-Q59 HydrophobicContact CE1-CB 3.98Å; F55-Q59 HydrophobicContact CE1-CG 4.41Å; F55-Q59 VanDerWaalsContact O-CB 3.28Å; F55-Q59 WeakPolarHBondContact O-CB 3.31Å; F55-Q59 PolarHBondContact O-N 2.84Å; A56-Q59 PolarHBondContact O-N 2.84Å; V57-Q59 VanDerWaalsContact C-N 3.29Å; V57-Q59 PolarHBondContact O-N 3.26Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; Q59-I62 PolarHBondContact O-N 2.78Å; Q59-L63 PolarHBondContact O-N 3.21Å
60Q60.5Low71.5Confident117 Ų11760.3 Ų60.355%0.54733%0.331SS..Hα-helixtrans-67.6-32.8176.9-172.164.214.200112A56 V57 L63 M64A56-Q60 WeakPolarHBondContact O-CB 2.98Å; A56-Q60 PolarHBondContact O-N 2.87Å; V57-Q60 PolarHBondContact O-N 2.77Å; Q60-L63 WeakPolarHBondContact O-CB 3.31Å; Q60-L63 PolarHBondContact O-N 2.91Å; Q60-M64 PolarHBondContact O-N 2.89Å; Q60-M64 VanDerWaalsContact O-N 3.16Å
61E62.2Low72.5Confident3 Ų359.7 Ų59.71%0.01434%0.337CS..Hα-helixtrans-73.8-35.2175.5-67.6-177.8173.400112.7V57 V58 Q59 L63 M64 M65 V157 Q160 I161V57-E61 PolarHBondContact O-N 3.16Å; V57-E61 VanDerWaalsContact O-N 3.12Å; V58-E61 PolarHBondContact O-N 3.33Å; Q59-E61 VanDerWaalsContact C-N 3.33Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 2.95Å; E61-M64 HydrophobicContact CB-CE 4.2Å; E61-M64 HydrophobicContact CG-CE 3.71Å; E61-M64 WeakPolarHBondContact O-CB 3.37Å; E61-M64 PolarHBondContact O-N 3.14Å; E61-M64 VanDerWaalsContact O-N 3.09Å; E61-M65 PolarHBondContact O-N 2.88Å; E61-M65 VanDerWaalsContact O-N 3.14Å; E61-V157 VanDerWaalsContact OE2-CA 3.26Å; E61-V157 WeakPolarHBondContact OE2-CA 3.02Å; E61-Q160 WeakPolarHBondContact OE1-CB 3.41Å; E61-Q160 PolarHBondContact OE1-N 3.3Å; E61-I161 PolarHBondContact OE1-N 3.15Å; E61-I161 WeakPolarHBondContact OE2-CD1 3.36Å; E61-I161 WeakPolarHBondContact OE2-CG1 3.35Å
62I71.3Confident73.8Confident2 Ų254 Ų541%0.0130%0.3CS..Hα-helixtrans-60.8-40.5170.4-64.1167.9000111.1V5 L7 V58 Q59 M64 M65 K66 Y76 L86V5-I62 HydrophobicContact CG1-CG2 4.16Å; L7-I62 HydrophobicContact CD2-CD1 3.85Å; V58-I62 WeakPolarHBondContact O-CG1 3.48Å; V58-I62 PolarHBondContact O-N 2.81Å; V58-I62 VanDerWaalsContact O-N 3.12Å; Q59-I62 PolarHBondContact O-N 2.78Å; I62-M64 VanDerWaalsContact C-N 3.31Å; I62-M64 PolarHBondContact O-N 3.04Å; I62-M65 HydrophobicContact CG1-CE 4.45Å; I62-M65 PolarHBondContact O-N 3.43Å; I62-K66 WeakPolarHBondContact O-CB 3.15Å; I62-K66 PolarHBondContact O-N 3.26Å; I62-Y76 HydrophobicContact CG2-CE2 3.93Å; I62-L86 HydrophobicContact CD1-CD1 3.79Å; I62-L86 HydrophobicContact CD1-CD2 3.81Å; I62-L86 HydrophobicContact CD1-CG 4.44Å; I62-L86 HydrophobicContact CG1-CD2 4.49Å
63L68.8Low75.1Confident22 Ų2250 Ų5012%0.11526%0.258CS..Hα-helixtrans-59.9-41172.8-76.7168.6000111.6V5 Q59 Q60 E61 M65 K66 D67V5-L63 HydrophobicContact CG2-CD1 3.78Å; V5-L63 HydrophobicContact CG2-CD2 3.73Å; V5-L63 HydrophobicContact CG2-CG 3.53Å; Q59-L63 PolarHBondContact O-N 3.21Å; Q60-L63 WeakPolarHBondContact O-CB 3.31Å; Q60-L63 PolarHBondContact O-N 2.91Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 2.95Å; L63-M65 VanDerWaalsContact C-N 3.3Å; L63-M65 PolarHBondContact O-N 3.46Å; L63-K66 PolarHBondContact O-N 2.79Å; L63-D67 PolarHBondContact O-N 3.1Å; L63-D67 VanDerWaalsContact O-N 3.12Å
64M68.6Low76.3Confident44 Ų4447.7 Ų47.722%0.21725%0.248CC..Hα-helixtrans-60-38.5176.1-71.5-161-72.700112.9Q60 E61 I62 C68 K132Q60-M64 PolarHBondContact O-N 2.89Å; Q60-M64 VanDerWaalsContact O-N 3.16Å; E61-M64 HydrophobicContact CB-CE 4.2Å; E61-M64 HydrophobicContact CG-CE 3.71Å; E61-M64 WeakPolarHBondContact O-CB 3.37Å; E61-M64 PolarHBondContact O-N 3.14Å; E61-M64 VanDerWaalsContact O-N 3.09Å; I62-M64 VanDerWaalsContact C-N 3.31Å; I62-M64 PolarHBondContact O-N 3.04Å; M64-C68 PolarHBondContact O-SG 3.33Å; M64-K132 PolarHBondContact O-NZ 2.9Å
65M73.1Confident77.6Confident16 Ų1645.3 Ų45.38%0.07924%0.24CC..Hα-helixtrans-72.1-45.9174.5-71.2-178.5-74.100112.7E61 I62 L63 D67 C68 Y76 I88 F155 V157E61-M65 PolarHBondContact O-N 2.88Å; E61-M65 VanDerWaalsContact O-N 3.14Å; I62-M65 HydrophobicContact CG1-CE 4.45Å; I62-M65 PolarHBondContact O-N 3.43Å; L63-M65 VanDerWaalsContact C-N 3.3Å; L63-M65 PolarHBondContact O-N 3.46Å; M65-D67 PolarHBondContact O-N 2.86Å; M65-C68 PolarHBondContact O-N 2.94Å; M65-Y76 HydrophobicContact CB-CD2 4.37Å; M65-I88 HydrophobicContact CE-CD1 4.09Å; M65-I88 HydrophobicContact CE-CG2 4.37Å; M65-F155 HydrophobicContact CB-CE2 4.41Å; M65-F155 HydrophobicContact CB-CZ 4.05Å; M65-F155 HydrophobicContact CG-CE1 4.21Å; M65-F155 HydrophobicContact CG-CE2 3.94Å; M65-F155 HydrophobicContact CG-CZ 3.72Å; M65-V157 HydrophobicContact CE-CG2 3.61Å; M65-V157 HydrophobicContact CG-CG2 4.31Å; M65-V157 HydrophobicContact SD-CG2 3.69Å
66K80.1Confident78.6Confident77 Ų7745.2 Ų45.234%0.33524%0.239SC..Hα-helixtrans-56.4-35.9-179.1-176177.8179.3177.70113.2I62 L63 Y76I62-K66 WeakPolarHBondContact O-CB 3.15Å; I62-K66 PolarHBondContact O-N 3.26Å; L63-K66 PolarHBondContact O-N 2.79Å; K66-Y76 HydrophobicContact CB-CD1 4.02Å; K66-Y76 HydrophobicContact CB-CE1 3.99Å; K66-Y76 HydrophobicContact CD-CE1 4.36Å; K66-Y76 HydrophobicContact CG-CD1 4.16Å; K66-Y76 HydrophobicContact CG-CE1 3.96Å
67D80.6Confident79.8Confident104 Ų10447.9 Ų47.956%0.55624%0.24SC*.THydrogen-bonded Turntrans-83.5-7-179.2-72.6-11.5000114.2L63 M65L63-D67 PolarHBondContact O-N 3.1Å; L63-D67 VanDerWaalsContact O-N 3.12Å; M65-D67 PolarHBondContact O-N 2.86Å
68C84.8Confident81.2Confident5 Ų547 Ų473%0.03424%0.237CC..  trans-94.4115.5178.8-76.40000111.1M64 M65 I73 Y126 L127 K132 F155M64-C68 PolarHBondContact O-SG 3.33Å; M65-C68 PolarHBondContact O-N 2.94Å; C68-I73 HydrophobicContact CB-CD1 4.36Å; C68-I73 HydrophobicContact CB-CG2 4.34Å; C68-Y126 HydrophobicContact CB-CE1 4.23Å; C68-L127 VanDerWaalsContact SG-CD2 3.57Å; C68-K132 PolarHBondContact SG-NZ 2.85Å; C68-F155 HydrophobicContact CB-CE2 3.79Å; C68-F155 HydrophobicContact CB-CZ 3.75Å
69K89.4Confident82.2Confident171 Ų17147 Ų4774%0.74324%0.237SC*.  trans-131.9101.8176.7-63.2-175.2-178.8-176.60109.3Y126K69-Y126 PolarHBondContact N-OH 2.75Å; K69-Y126 WeakPolarHBondContact O-CE2 3.25Å; K69-Y126 PolarHBondContact O-OH 3.45Å
70H94.7Very high83.3Confident57 Ų5745.1 Ų45.126%0.26423%0.228SC..  trans-151.9152.7-178.7-169.9-105.7000110.1N72 I73 Y126H70-N72 VanDerWaalsContact C-N 3.28Å; H70-N72 PolarHBondContact CE1-OD1 3.27Å; H70-N72 PolarHBondContact ND1-N 3.11Å; H70-N72 PolarHBondContact O-N 3.41Å; H70-I73 HydrophobicContact CB-CB 4.27Å; H70-I73 HydrophobicContact CB-CD1 3.83Å; H70-I73 HydrophobicContact CB-CG1 3.99Å; H70-I73 PolarHBondContact O-N 3.19Å; H70-Y126 HydrophobicContact CB-CD1 3.9Å; H70-Y126 HydrophobicContact CB-CD2 3.96Å; H70-Y126 HydrophobicContact CB-CE1 4.16Å; H70-Y126 HydrophobicContact CB-CE2 4.19Å; H70-Y126 HydrophobicContact CB-CG 3.79Å; H70-Y126 AromaticContact CD2-CD2 3.57Å; H70-Y126 AromaticContact CD2-CG 3.76Å; H70-Y126 AromaticContact CG-CD2 3.95Å; H70-Y126 AromaticContact CG-CG 3.77Å
71S95.1Very high84.6Confident76 Ų7640.3 Ų40.353%0.53121%0.206SC..THydrogen-bonded Turntrans-55.8-43.217940.90000112.6I73 K151S71-I73 PolarHBondContact O-N 3.34Å; S71-K151 VanDerWaalsContact O-CD 3.29Å; S71-K151 WeakPolarHBondContact O-CD 3.18Å; S71-K151 WeakPolarHBondContact O-CE 3.31Å; S71-K151 PolarHBondContact O-NZ 3.35Å
72N96.8Very high85.7Confident2 Ų244 Ų441%0.01122%0.219CC..THydrogen-bonded Turntrans-95.724.3-174.2-48.191000113.9H70 E119 Q122 V150 L152H70-N72 VanDerWaalsContact C-N 3.28Å; H70-N72 PolarHBondContact CE1-OD1 3.27Å; H70-N72 PolarHBondContact ND1-N 3.11Å; H70-N72 PolarHBondContact O-N 3.41Å; N72-E119 WeakPolarHBondContact CB-O 3.44Å; N72-E119 PolarHBondContact ND2-OE2 3.38Å; N72-Q122 PolarHBondContact OD1-OE1 2.71Å; N72-V150 VanDerWaalsContact CA-O 3.3Å; N72-V150 WeakPolarHBondContact CA-O 3.26Å; N72-V150 PolarHBondContact ND2-O 2.87Å; N72-L152 WeakPolarHBondContact O-CG 3.24Å; N72-L152 PolarHBondContact O-N 2.84Å
73I93.5Very high86.3Confident2 Ų253.5 Ų53.51%0.0126%0.255CS..BIsolated β-bridgetrans-126.4138173.4-62.2178.5000107.2C68 H70 S71 A75 Y126 L127 F155C68-I73 HydrophobicContact CB-CD1 4.36Å; C68-I73 HydrophobicContact CB-CG2 4.34Å; H70-I73 HydrophobicContact CB-CB 4.27Å; H70-I73 HydrophobicContact CB-CD1 3.83Å; H70-I73 HydrophobicContact CB-CG1 3.99Å; H70-I73 PolarHBondContact O-N 3.19Å; S71-I73 PolarHBondContact O-N 3.34Å; I73-A75 PolarHBondContact O-N 3.37Å; I73-Y126 HydrophobicContact CD1-CD1 3.52Å; I73-Y126 HydrophobicContact CD1-CE1 3.97Å; I73-Y126 HydrophobicContact CD1-CG 4.44Å; I73-L127 HydrophobicContact CD1-CD1 4.45Å; I73-L127 HydrophobicContact CD1-CD2 3.86Å; I73-L127 HydrophobicContact CD1-CG 3.87Å; I73-F155 HydrophobicContact CG2-CD1 3.88Å; I73-F155 HydrophobicContact CG2-CE1 3.21Å; I73-F155 HydrophobicContact CG2-CE2 4.46Å; I73-F155 HydrophobicContact CG2-CZ 3.55Å
74V92.2Very high86.9Confident9 Ų957.9 Ų57.96%0.05528%0.278CS..PPolyproline II helixtrans-58.6123.5175174.30000109.3M90 E91 L143 K151 L152 A153V74-M90 HydrophobicContact CG1-CB 3.82Å; V74-M90 HydrophobicContact CG1-CG 3.91Å; V74-M90 HydrophobicContact CG1-SD 4.11Å; V74-E91 HydrophobicContact CG1-CB 3.99Å; V74-L143 HydrophobicContact CG2-CD1 4.14Å; V74-K151 HydrophobicContact CG2-CB 3.79Å; V74-L152 WeakPolarHBondContact CG2-O 3.48Å; V74-L152 PolarHBondContact N-O 2.91Å; V74-A153 HydrophobicContact CG2-CB 3.84Å
75A91.4Very high87.8Confident38 Ų3860.4 Ų60.431%0.31429%0.288SS..PPolyproline II helixtrans-70.2133.1-18000000111.8I73 F77 M90 E91I73-A75 PolarHBondContact O-N 3.37Å; A75-F77 HydrophobicContact CB-CE1 4.09Å; A75-M90 CarbonylContact O-C 3.59Å; A75-M90 VanDerWaalsContact O-CA 3.24Å; A75-M90 WeakPolarHBondContact O-CA 3.41Å; A75-M90 WeakPolarHBondContact O-CB 3.47Å; A75-E91 HydrophobicContact CB-CB 4.09Å; A75-E91 PolarHBondContact N-OE2 2.9Å; A75-E91 PolarHBondContact O-N 3.05Å
76Y89.4Confident88.5Confident48 Ų4859.6 Ų59.619%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-84.5129.8172.4169.3-89.6000110.6I62 M65 K66 G78 S79 I88I62-Y76 HydrophobicContact CG2-CE2 3.93Å; M65-Y76 HydrophobicContact CB-CD2 4.37Å; K66-Y76 HydrophobicContact CB-CD1 4.02Å; K66-Y76 HydrophobicContact CB-CE1 3.99Å; K66-Y76 HydrophobicContact CD-CE1 4.36Å; K66-Y76 HydrophobicContact CG-CD1 4.16Å; K66-Y76 HydrophobicContact CG-CE1 3.96Å; Y76-G78 WeakPolarHBondContact CE2-O 3.46Å; Y76-G78 VanDerWaalsContact CZ-C 3.44Å; Y76-G78 VanDerWaalsContact CZ-CA 3.49Å; Y76-G78 VanDerWaalsContact OH-C 3.25Å; Y76-S79 WeakPolarHBondContact OH-CB 3.35Å; Y76-S79 PolarHBondContact OH-N 2.75Å; Y76-S79 VanDerWaalsContact OH-N 3.16Å; Y76-S79 PolarHBondContact OH-OG 2.85Å; Y76-I88 HydrophobicContact CD2-CG2 4.08Å; Y76-I88 HydrophobicContact CE2-CG2 4.08Å
77F89.4Confident88.9Confident114 Ų11457.4 Ų57.450%0.527%0.274SS..EExtended strand (participates in β ladder)trans-103.3-36179-60.2-27.6000113A42 A75 S89 M90 E91A42-F77 HydrophobicContact CB-CD2 4.16Å; A42-F77 HydrophobicContact CB-CE2 4.18Å; A75-F77 HydrophobicContact CB-CE1 4.09Å; F77-S89 PolarHBondContact N-O 2.8Å; F77-M90 WeakPolarHBondContact CE2-O 3.48Å; F77-E91 HydrophobicContact CZ-CB 4Å
78G88.6Confident89.3Confident13 Ų1352.6 Ų52.613%0.13425%0.248CC..EExtended strand (participates in β ladder)trans171.5174.7-179.100000113.7Y76 S89Y76-G78 WeakPolarHBondContact CE2-O 3.46Å; Y76-G78 VanDerWaalsContact CZ-C 3.44Å; Y76-G78 VanDerWaalsContact CZ-CA 3.49Å; Y76-G78 VanDerWaalsContact OH-C 3.25Å; G78-S89 PolarHBondContact N-O 3.34Å; G78-S89 PolarHBondContact O-N 3.49Å
79S88.9Confident89.6Confident4 Ų452.4 Ų52.43%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-145148.6173.953.50000113S8 Y76 W87S8-S79 PolarHBondContact N-O 2.67Å; Y76-S79 WeakPolarHBondContact OH-CB 3.35Å; Y76-S79 PolarHBondContact OH-N 2.75Å; Y76-S79 VanDerWaalsContact OH-N 3.16Å; Y76-S79 PolarHBondContact OH-OG 2.85Å; S79-W87 CarbonylContact C-O 3.52Å; S79-W87 WeakPolarHBondContact CA-O 3.46Å; S79-W87 WeakPolarHBondContact CB-O 3.48Å
80Y90.3Very high89.7Confident24 Ų2445.3 Ų45.39%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-131.6138.2-174.7-51.6-110.7000110S8 P12 D15 F16 L86 W87S8-Y80 VanDerWaalsContact CB-CD1 3.44Å; S8-Y80 CarbonylContact O-C 3.47Å; S8-Y80 WeakPolarHBondContact O-CA 3.47Å; S8-Y80 WeakPolarHBondContact OG-CD1 3.47Å; P12-Y80 HydrophobicContact CB-CD1 4.01Å; P12-Y80 HydrophobicContact CB-CD2 4.09Å; P12-Y80 HydrophobicContact CB-CG 3.82Å; P12-Y80 HydrophobicContact CG-CG 4.49Å; D15-Y80 VanDerWaalsContact OD2-CE1 3.23Å; D15-Y80 WeakPolarHBondContact OD2-CE1 3.31Å; D15-Y80 PolarHBondContact OD2-OH 3.1Å; F16-Y80 HydrophobicContact CD2-CE2 4.47Å; F16-Y80 HydrophobicContact CE2-CE2 4.05Å; Y80-L86 WeakPolarHBondContact O-CA 3.19Å; Y80-W87 HydrophobicContact CD2-CB 4.44Å; Y80-W87 PolarHBondContact N-O 3.24Å; Y80-W87 PolarHBondContact O-N 2.77Å
81L87.1Confident89.7Confident16 Ų1644.6 Ų44.68%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-125.2105.3178.7179.163.6000111L7 S8 R9 L49 F55 L86L7-L81 HydrophobicContact CD2-CB 4.35Å; S8-L81 PolarHBondContact O-N 3.44Å; R9-L81 VanDerWaalsContact CD-O 3.26Å; R9-L81 WeakPolarHBondContact CD-O 3.49Å; R9-L81 PolarHBondContact NH1-O 2.89Å; L49-L81 HydrophobicContact CD1-CD1 3.64Å; F55-L81 HydrophobicContact CD2-CD2 4.44Å; F55-L81 HydrophobicContact CE1-CD2 4.14Å; F55-L81 HydrophobicContact CE2-CD1 4.24Å; F55-L81 HydrophobicContact CE2-CD2 3.79Å; F55-L81 HydrophobicContact CZ-CD2 3.63Å; L81-L86 HydrophobicContact CD1-CB 4.39Å
82R85.1Confident89.7Confident80 Ų8042.8 Ų42.830%0.30220%0.195SC..EExtended strand (participates in β ladder)trans-145.4127.6-173.8-169.7176.5-167.5-130.77.6111.5N11 D84 K85N11-R82 PolarHBondContact ND2-NH1 2.98Å; N11-R82 PolarHBondContact OD1-NH1 3.44Å; R82-D84 PolarHBondContact O-N 2.97Å; R82-K85 PolarHBondContact N-O 2.86Å; R82-K85 PolarHBondContact O-N 2.94Å
83R83.5Confident89.7Confident202 Ų20243.2 Ų43.276%0.76220%0.198SC*.THydrogen-bonded Turntrans48.456.5178.6-62.3175.4178.7168.8-3111.8K85R83-K85 PolarHBondContact O-N 2.89Å
84D83.2Confident89.6Confident113 Ų11344.1 Ų44.160%0.60421%0.208SC*.THydrogen-bonded Turntrans58.222.9174.2-38.1-47000114.2L49 R82L49-D84 PolarHBondContact N-O 2.87Å; R82-D84 PolarHBondContact O-N 2.97Å
85K87.2Confident89.5Confident97 Ų9744.4 Ų44.442%0.42221%0.213SC..EExtended strand (participates in β ladder)trans-120.8126.4170.5-64.7-171.9177.4-164.70110.3V46 I47 R82 R83V46-K85 HydrophobicContact CG1-CB 4.3Å; V46-K85 HydrophobicContact CG1-CD 3.99Å; I47-K85 CarbonylContact O-C 3.45Å; I47-K85 VanDerWaalsContact O-CA 3.31Å; I47-K85 WeakPolarHBondContact O-CA 3.28Å; R82-K85 PolarHBondContact N-O 2.86Å; R82-K85 PolarHBondContact O-N 2.94Å; R83-K85 PolarHBondContact O-N 2.89Å
86L86.4Confident89.6Confident0 Ų043.8 Ų43.80%021%0.21CC..EExtended strand (participates in β ladder)trans-92127.6167.217165.2000108.9L7 V46 I47 L49 V58 I62 Y80 L81 I88L7-L86 HydrophobicContact CD2-CD1 3.82Å; V46-L86 WeakPolarHBondContact CA-O 3.43Å; I47-L86 HydrophobicContact CB-CB 4.38Å; I47-L86 HydrophobicContact CD1-CD2 4.37Å; I47-L86 PolarHBondContact N-O 3.26Å; I47-L86 PolarHBondContact O-N 2.93Å; L49-L86 HydrophobicContact CD1-CB 4.28Å; V58-L86 HydrophobicContact CG1-CD2 3.28Å; I62-L86 HydrophobicContact CD1-CD1 3.79Å; I62-L86 HydrophobicContact CD1-CD2 3.81Å; I62-L86 HydrophobicContact CD1-CG 4.44Å; I62-L86 HydrophobicContact CG1-CD2 4.49Å; Y80-L86 WeakPolarHBondContact O-CA 3.19Å; L81-L86 HydrophobicContact CD1-CB 4.39Å; L86-I88 HydrophobicContact CD1-CG1 4.38Å; L86-I88 HydrophobicContact CD2-CD1 4.11Å; L86-I88 HydrophobicContact CD2-CG1 4.22Å; L86-I88 HydrophobicContact CG-CD1 4.43Å; L86-I88 HydrophobicContact CG-CG1 4.04Å
87W90.1Very high89.9Confident30 Ų3041.8 Ų41.811%0.11420%0.203CC..EExtended strand (participates in β ladder)trans-113.6123.9177.3-62.153.6000107.7P12 Q13 L18 I44 K45 V46 S79 Y80P12-W87 HydrophobicContact CB-CB 4.44Å; P12-W87 HydrophobicContact CB-CD2 3.86Å; P12-W87 HydrophobicContact CB-CE3 3.55Å; P12-W87 HydrophobicContact CB-CG 4.22Å; P12-W87 HydrophobicContact CB-CZ3 4.11Å; P12-W87 HydrophobicContact CG-CB 4.45Å; P12-W87 HydrophobicContact CG-CD2 3.38Å; P12-W87 HydrophobicContact CG-CE3 3.49Å; P12-W87 VanDerWaalsContact CG-CE3 3.49Å; P12-W87 HydrophobicContact CG-CG 3.79Å; P12-W87 HydrophobicContact CG-CH2 4.26Å; P12-W87 HydrophobicContact CG-CZ2 4.13Å; P12-W87 HydrophobicContact CG-CZ3 3.94Å; Q13-W87 HydrophobicContact CG-CH2 4.3Å; L18-W87 HydrophobicContact CD1-CH2 3.86Å; L18-W87 HydrophobicContact CD1-CZ3 3.84Å; L18-W87 HydrophobicContact CD2-CZ3 4.07Å; L18-W87 HydrophobicContact CG-CZ3 4.18Å; I44-W87 HydrophobicContact CG2-CB 4.43Å; I44-W87 HydrophobicContact CG2-CD2 4.34Å; I44-W87 HydrophobicContact CG2-CE3 3.52Å; I44-W87 HydrophobicContact CG2-CZ3 4.15Å; K45-W87 CarbonylContact O-C 3.5Å; K45-W87 WeakPolarHBondContact O-CA 3.33Å; V46-W87 HydrophobicContact CG1-CD2 4.45Å; V46-W87 HydrophobicContact CG1-CZ2 4.42Å; V46-W87 HydrophobicContact CG2-CD2 3.84Å; V46-W87 HydrophobicContact CG2-CE3 3.97Å; V46-W87 HydrophobicContact CG2-CG 4.29Å; V46-W87 HydrophobicContact CG2-CH2 4.48Å; V46-W87 HydrophobicContact CG2-CZ2 4.4Å; V46-W87 HydrophobicContact CG2-CZ3 4.3Å; S79-W87 CarbonylContact C-O 3.52Å; S79-W87 WeakPolarHBondContact CA-O 3.46Å; S79-W87 WeakPolarHBondContact CB-O 3.48Å; Y80-W87 HydrophobicContact CD2-CB 4.44Å; Y80-W87 PolarHBondContact N-O 3.24Å; Y80-W87 PolarHBondContact O-N 2.77Å
88I88.2Confident90.2Very high4 Ų436.3 Ų36.32%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-113.7116.9178.2-55.3166.9000107.5I44 K45 I47 M65 Y76 L86 M90I44-I88 WeakPolarHBondContact CA-O 3.27Å; K45-I88 HydrophobicContact CB-CB 4.43Å; K45-I88 PolarHBondContact N-O 3.5Å; K45-I88 PolarHBondContact O-N 3.45Å; I47-I88 HydrophobicContact CD1-CD1 3.91Å; M65-I88 HydrophobicContact CE-CD1 4.09Å; M65-I88 HydrophobicContact CE-CG2 4.37Å; Y76-I88 HydrophobicContact CD2-CG2 4.08Å; Y76-I88 HydrophobicContact CE2-CG2 4.08Å; L86-I88 HydrophobicContact CD1-CG1 4.38Å; L86-I88 HydrophobicContact CD2-CD1 4.11Å; L86-I88 HydrophobicContact CD2-CG1 4.22Å; L86-I88 HydrophobicContact CG-CD1 4.43Å; L86-I88 HydrophobicContact CG-CG1 4.04Å; I88-M90 HydrophobicContact CB-CE 4.13Å; I88-M90 HydrophobicContact CG2-CE 3.77Å
89S91.6Very high90.5Very high0 Ų038.5 Ų38.50%019%0.185CC..EExtended strand (participates in β ladder)trans-94.8128.3177.9-175.60000110.3F16 I44 F77 G78F16-S89 WeakPolarHBondContact CZ-OG 3.31Å; I44-S89 WeakPolarHBondContact CD1-OG 3.45Å; F77-S89 PolarHBondContact N-O 2.8Å; G78-S89 PolarHBondContact N-O 3.34Å; G78-S89 PolarHBondContact O-N 3.49Å
90M92.1Very high90.6Very high23 Ų2342.9 Ų42.911%0.11321%0.209CC..EExtended strand (participates in β ladder)trans-147.5167.2-17371.7-170.371.900112A42 A43 K45 V74 A75 F77 I88 Y92A42-M90 WeakPolarHBondContact CA-O 3.18Å; A43-M90 HydrophobicContact CB-CG 3.75Å; A43-M90 PolarHBondContact N-O 3.3Å; A43-M90 WeakPolarHBondContact O-CG 3.13Å; A43-M90 PolarHBondContact O-N 3.06Å; K45-M90 HydrophobicContact CB-CE 3.71Å; K45-M90 HydrophobicContact CD-CE 4.41Å; V74-M90 HydrophobicContact CG1-CB 3.82Å; V74-M90 HydrophobicContact CG1-CG 3.91Å; V74-M90 HydrophobicContact CG1-SD 4.11Å; A75-M90 CarbonylContact O-C 3.59Å; A75-M90 VanDerWaalsContact O-CA 3.24Å; A75-M90 WeakPolarHBondContact O-CA 3.41Å; A75-M90 WeakPolarHBondContact O-CB 3.47Å; F77-M90 WeakPolarHBondContact CE2-O 3.48Å; I88-M90 HydrophobicContact CB-CE 4.13Å; I88-M90 HydrophobicContact CG2-CE 3.77Å; M90-Y92 PolarHBondContact O-N 2.79Å
91E93.6Very high90.8Very high41 Ų4141.8 Ų41.819%0.19220%0.204CC..EExtended strand (participates in β ladder)trans-54.7128.9177.3177.9179.7-166.900112.2V74 A75 F77 C93 K151V74-E91 HydrophobicContact CG1-CB 3.99Å; A75-E91 HydrophobicContact CB-CB 4.09Å; A75-E91 PolarHBondContact N-OE2 2.9Å; A75-E91 PolarHBondContact O-N 3.05Å; F77-E91 HydrophobicContact CZ-CB 4Å; E91-C93 PolarHBondContact O-N 2.82Å; E91-K151 WeakPolarHBondContact OE1-CE 3.33Å; E91-K151 IonicContact OE1-NZ 3.83Å; E91-K151 PolarHBondContact OE1-NZ 3.25Å; E91-K151 WeakPolarHBondContact OE2-CE 3.1Å; E91-K151 IonicContact OE2-NZ 2.85Å; E91-K151 PolarHBondContact OE2-NZ 2.68Å
92Y95.4Very high91.1Very high39 Ų3941.2 Ų41.215%0.15320%0.201CC..  trans-80.7115.5175.4178.6-107.9000110.8I22 K32 L41 M90I22-Y92 HydrophobicContact CD1-CD2 4.1Å; I22-Y92 HydrophobicContact CD1-CE2 3.85Å; K32-Y92 HydrophobicContact CB-CD2 4.43Å; K32-Y92 HydrophobicContact CB-CE2 3.99Å; K32-Y92 HydrophobicContact CD-CE1 4.31Å; K32-Y92 HydrophobicContact CD-CE2 3.81Å; K32-Y92 VanDerWaalsContact CE-CZ 3.47Å; K32-Y92 WeakPolarHBondContact CE-OH 3.4Å; K32-Y92 HydrophobicContact CG-CD2 4.1Å; K32-Y92 HydrophobicContact CG-CE2 3.71Å; K32-Y92 PolarHBondContact NZ-OH 2.85Å; L41-Y92 HydrophobicContact CB-CD1 3.89Å; L41-Y92 HydrophobicContact CB-CG 4.12Å; L41-Y92 HydrophobicContact CD1-CD1 3.92Å; L41-Y92 HydrophobicContact CD1-CE1 4.01Å; M90-Y92 PolarHBondContact O-N 2.79Å
93C95.6Very high91.2Very high11 Ų1143.8 Ų43.87%0.07422%0.216CC..  trans-95.793174.6-620000109.2E91 G95 G96 L143 L144E91-C93 PolarHBondContact O-N 2.82Å; C93-G95 VanDerWaalsContact C-N 3.26Å; C93-G95 PolarHBondContact O-N 2.94Å; C93-G96 PolarHBondContact O-N 3.12Å; C93-G96 VanDerWaalsContact O-N 3.12Å; C93-L143 HydrophobicContact CB-CB 3.63Å; C93-L143 HydrophobicContact CB-CD1 3.92Å; C93-L143 HydrophobicContact CB-CG 4.44Å; C93-L144 CarbonylContact C-O 3.53Å; C93-L144 VanDerWaalsContact C-O 3.26Å; C93-L144 WeakPolarHBondContact CB-O 3.33Å
94G91.8Very high91.5Very high21 Ų2137.8 Ų37.822%0.21620%0.202CC..THydrogen-bonded Turntrans-66.6-19.7-168.800000116.4G96 D146G94-G96 VanDerWaalsContact C-N 3.28Å; G94-G96 PolarHBondContact O-N 3.31Å; G94-D146 VanDerWaalsContact CA-OD1 3.25Å; G94-D146 WeakPolarHBondContact CA-OD1 3.43Å
95G91.4Very high91.8Very high15 Ų1532.8 Ų32.816%0.15518%0.176CC..THydrogen-bonded Turntrans-75.3-8.2172.700000115.1C93 I101 L144C93-G95 VanDerWaalsContact C-N 3.26Å; C93-G95 PolarHBondContact O-N 2.94Å; G95-I101 WeakPolarHBondContact O-CD1 3.48Å; G95-I101 WeakPolarHBondContact O-CG1 3.45Å; G95-L144 VanDerWaalsContact CA-O 3.29Å; G95-L144 WeakPolarHBondContact CA-O 3.42Å; G95-L144 PolarHBondContact N-O 3.25Å
96G93.6Very high92Very high24 Ų2429.1 Ų29.125%0.24717%0.165CC..EExtended strand (participates in β ladder)trans76-163.5-177.900000113.3C93 G94 L143 L144C93-G96 PolarHBondContact O-N 3.12Å; C93-G96 VanDerWaalsContact O-N 3.12Å; G94-G96 VanDerWaalsContact C-N 3.28Å; G94-G96 PolarHBondContact O-N 3.31Å; G96-L143 CarbonylContact O-C 3.56Å; G96-L143 VanDerWaalsContact O-CA 3.25Å; G96-L143 WeakPolarHBondContact O-CA 3.39Å; G96-L144 PolarHBondContact O-N 2.98Å
97S95.1Very high92.3Very high6 Ų631.3 Ų31.34%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-84155.9175.775.50000111.9Q99 D100 I101 A140 I142S97-Q99 PolarHBondContact O-N 2.92Å; S97-Q99 VanDerWaalsContact O-N 3.16Å; S97-Q99 PolarHBondContact OG-N 3.39Å; S97-D100 VanDerWaalsContact CB-OD2 3.29Å; S97-D100 WeakPolarHBondContact CB-OD2 3.37Å; S97-D100 PolarHBondContact N-OD2 2.83Å; S97-D100 PolarHBondContact O-N 2.83Å; S97-D100 VanDerWaalsContact O-N 3.11Å; S97-D100 PolarHBondContact OG-N 2.91Å; S97-D100 VanDerWaalsContact OG-N 3.09Å; S97-D100 PolarHBondContact OG-OD2 3.42Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.42Å; S97-I101 PolarHBondContact O-N 3.32Å; S97-A140 VanDerWaalsContact CB-O 3.27Å; S97-A140 WeakPolarHBondContact CB-O 3.22Å; S97-I142 CarbonylContact C-O 3.44Å; S97-I142 WeakPolarHBondContact CA-O 3.41Å
98L95.9Very high92.7Very high0 Ų030 Ų300%018%0.175CC..Hα-helixtrans-58.2-28.2171.6-69.3-177.4000111.6I101 Y102 M116 G139 I142 L144 L207L98-I101 HydrophobicContact CD2-CD1 4.4Å; L98-I101 PolarHBondContact O-N 3.3Å; L98-Y102 WeakPolarHBondContact O-CD1 3.26Å; L98-Y102 PolarHBondContact O-N 2.87Å; L98-M116 HydrophobicContact CD1-CB 3.94Å; L98-M116 HydrophobicContact CD1-CG 3.79Å; L98-M116 HydrophobicContact CD1-SD 4.32Å; L98-M116 HydrophobicContact CD2-CE 3.91Å; L98-M116 HydrophobicContact CD2-CG 4.14Å; L98-M116 HydrophobicContact CD2-SD 3.97Å; L98-G139 PolarHBondContact N-O 3.03Å; L98-I142 HydrophobicContact CD1-CB 3.89Å; L98-I142 HydrophobicContact CD1-CD1 4.36Å; L98-I142 HydrophobicContact CD1-CG2 3.53Å; L98-I142 HydrophobicContact CG-CB 4.17Å; L98-I142 HydrophobicContact CG-CG2 3.96Å; L98-I142 PolarHBondContact N-O 2.9Å; L98-L144 HydrophobicContact CD2-CD1 4.04Å; L98-L144 HydrophobicContact CD2-CD2 4.19Å; L98-L144 HydrophobicContact CD2-CG 3.92Å; L98-L207 HydrophobicContact CB-CD2 3.94Å; L98-L207 HydrophobicContact CD1-CD1 3.97Å; L98-L207 HydrophobicContact CD1-CD2 4.05Å
99Q94.5Very high93.1Very high58 Ų5832.2 Ų32.227%0.27119%0.191SC..Hα-helixtrans-64.6-49.4173.1-179.9160.791.100112.4S97 I101 Y102 H103 G139 A140S97-Q99 PolarHBondContact O-N 2.92Å; S97-Q99 VanDerWaalsContact O-N 3.16Å; S97-Q99 PolarHBondContact OG-N 3.39Å; Q99-I101 PolarHBondContact O-N 3.33Å; Q99-Y102 VanDerWaalsContact CA-CE1 3.46Å; Q99-Y102 HydrophobicContact CB-CE1 4.01Å; Q99-Y102 HydrophobicContact CG-CE1 4.3Å; Q99-Y102 PolarHBondContact NE2-OH 2.84Å; Q99-Y102 VanDerWaalsContact NE2-OH 3.08Å; Q99-Y102 PolarHBondContact O-N 3.15Å; Q99-H103 PolarHBondContact O-N 2.81Å; Q99-H103 PolarHBondContact O-ND1 2.85Å; Q99-G139 PolarHBondContact N-O 2.88Å; Q99-A140 HydrophobicContact CB-CB 4.14Å
100D91.4Very high93.4Very high96 Ų9633.9 Ų33.951%0.51320%0.198SC..Hα-helixtrans-58.4-42176.4-53.5-54.7000110.7S97S97-D100 VanDerWaalsContact CB-OD2 3.29Å; S97-D100 WeakPolarHBondContact CB-OD2 3.37Å; S97-D100 PolarHBondContact N-OD2 2.83Å; S97-D100 PolarHBondContact O-N 2.83Å; S97-D100 VanDerWaalsContact O-N 3.11Å; S97-D100 PolarHBondContact OG-N 2.91Å; S97-D100 VanDerWaalsContact OG-N 3.09Å; S97-D100 PolarHBondContact OG-OD2 3.42Å
101I93.4Very high93.7Very high1 Ų135.3 Ų35.31%0.00521%0.21CC..Hα-helixtrans-65.4-53-179.9-64.2172.5000111.4G95 S97 L98 Q99 H103 V104 T105 L144 L285 L286G95-I101 WeakPolarHBondContact O-CD1 3.48Å; G95-I101 WeakPolarHBondContact O-CG1 3.45Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.42Å; S97-I101 PolarHBondContact O-N 3.32Å; L98-I101 HydrophobicContact CD2-CD1 4.4Å; L98-I101 PolarHBondContact O-N 3.3Å; Q99-I101 PolarHBondContact O-N 3.33Å; I101-H103 VanDerWaalsContact C-N 3.25Å; I101-H103 PolarHBondContact O-N 3.15Å; I101-V104 CarbonylContact O-C 3.59Å; I101-V104 WeakPolarHBondContact O-CA 3.42Å; I101-V104 PolarHBondContact O-N 2.84Å; I101-T105 HydrophobicContact CG2-CG2 3.86Å; I101-T105 PolarHBondContact O-N 3.46Å; I101-T105 PolarHBondContact O-OG1 2.67Å; I101-L144 HydrophobicContact CD1-CB 4.2Å; I101-L144 HydrophobicContact CD1-CD1 3.55Å; I101-L144 HydrophobicContact CD1-CG 3.91Å; I101-L285 HydrophobicContact CG2-CD1 4.21Å; I101-L285 HydrophobicContact CG2-CD2 3.71Å; I101-L285 HydrophobicContact CG2-CG 3.61Å; I101-L286 HydrophobicContact CD1-CD2 3.94Å
102Y93.6Very high93.9Very high5 Ų534.3 Ų34.32%0.0221%0.206CC..Hα-helixtrans-68.2-24.8-17574.8-123.8000113.2L98 Q99 V104 G106 E206 L207 L210L98-Y102 WeakPolarHBondContact O-CD1 3.26Å; L98-Y102 PolarHBondContact O-N 2.87Å; Q99-Y102 VanDerWaalsContact CA-CE1 3.46Å; Q99-Y102 HydrophobicContact CB-CE1 4.01Å; Q99-Y102 HydrophobicContact CG-CE1 4.3Å; Q99-Y102 PolarHBondContact NE2-OH 2.84Å; Q99-Y102 VanDerWaalsContact NE2-OH 3.08Å; Q99-Y102 PolarHBondContact O-N 3.15Å; Y102-V104 PolarHBondContact O-N 2.89Å; Y102-G106 WeakPolarHBondContact O-CA 3.49Å; Y102-G106 PolarHBondContact O-N 2.89Å; Y102-E206 HydrophobicContact CE1-CG 3.84Å; Y102-E206 PolarHBondContact OH-OE1 3.47Å; Y102-L207 HydrophobicContact CD1-CD2 3.68Å; Y102-L207 HydrophobicContact CE1-CD2 4.15Å; Y102-L210 HydrophobicContact CD2-CB 4.44Å; Y102-L210 HydrophobicContact CD2-CD2 3.53Å; Y102-L210 HydrophobicContact CE2-CB 4.39Å; Y102-L210 HydrophobicContact CE2-CD2 4.29Å; Y102-L210 VanDerWaalsContact CE2-O 3.24Å; Y102-L210 WeakPolarHBondContact CE2-O 3.33Å; Y102-L210 HydrophobicContact CG-CD2 4.16Å; Y102-L210 PolarHBondContact OH-O 3.01Å
103H88.3Confident94Very high134 Ų13432.5 Ų32.562%0.6220%0.199SC*.Hα-helixtrans-66.3-24.5170.7-79.591.3000112.6Q99 I101Q99-H103 PolarHBondContact O-N 2.81Å; Q99-H103 PolarHBondContact O-ND1 2.85Å; I101-H103 VanDerWaalsContact C-N 3.25Å; I101-H103 PolarHBondContact O-N 3.15Å
104V88.5Confident94.2Very high75 Ų7532 Ų3246%0.45520%0.195SC..Hα-helixtrans-93.4-46.9174.4179.30000111.5I101 Y102 P292I101-V104 CarbonylContact O-C 3.59Å; I101-V104 WeakPolarHBondContact O-CA 3.42Å; I101-V104 PolarHBondContact O-N 2.84Å; Y102-V104 PolarHBondContact O-N 2.89Å; V104-P292 HydrophobicContact CG1-CB 4.3Å
105T89.1Confident94.5Very high9 Ų931.1 Ų31.16%0.05519%0.186CC..Hα-helixtrans-82.8-13.9-17262.40000114.4I101 L285 K288I101-T105 HydrophobicContact CG2-CG2 3.86Å; I101-T105 PolarHBondContact O-N 3.46Å; I101-T105 PolarHBondContact O-OG1 2.67Å; T105-L285 HydrophobicContact CG2-CD1 3.95Å; T105-L285 HydrophobicContact CG2-CG 4.44Å; T105-K288 HydrophobicContact CG2-CB 4.15Å; T105-K288 HydrophobicContact CG2-CD 4.34Å; T105-K288 HydrophobicContact CG2-CG 4.19Å; T105-K288 WeakPolarHBondContact O-CE 3.49Å; T105-K288 PolarHBondContact O-NZ 2.9Å
106G92.3Very high94.8Very high20 Ų2030.5 Ų30.521%0.20618%0.178CC..  trans70.9-169.1-162.700000112.3Y102Y102-G106 WeakPolarHBondContact O-CA 3.49Å; Y102-G106 PolarHBondContact O-N 2.89Å
107P93.6Very high95Very high45 Ų4529.6 Ų29.629%0.29217%0.169SC..SBendtrans-60.4140.8-173.8-19.729.6000112.3L210P107-L210 HydrophobicContact CG-CD1 4.15Å; P107-L210 HydrophobicContact CG-CD2 4.16Å; P107-L210 HydrophobicContact CG-CG 3.98Å
108L97.6Very high95.2Very high3 Ų331.7 Ų31.72%0.01618%0.176CC..PPolyproline II helixtrans-71.4152.7179-83.563.5000111Q112 I113 M116 L207 L285L108-Q112 HydrophobicContact CB-CB 4.06Å; L108-Q112 HydrophobicContact CD2-CB 4.21Å; L108-Q112 HydrophobicContact CG-CB 4.26Å; L108-I113 HydrophobicContact CB-CD1 4.19Å; L108-I113 HydrophobicContact CB-CG1 3.61Å; L108-M116 HydrophobicContact CD2-CG 4.18Å; L108-L207 HydrophobicContact CD2-CB 4.34Å; L108-L207 HydrophobicContact CD2-CD1 4.24Å; L108-L207 HydrophobicContact CD2-CD2 4.22Å; L108-L207 HydrophobicContact CD2-CG 4.49Å; L108-L207 PolarHBondContact N-O 2.92Å; L108-L285 HydrophobicContact CD1-CD1 4.18Å; L108-L285 HydrophobicContact CD1-CD2 4.18Å; L108-L285 HydrophobicContact CD2-CD2 3.73Å; L108-L285 HydrophobicContact CG-CD1 3.98Å; L108-L285 HydrophobicContact CG-CD2 3.82Å
109S97.3Very high95.3Very high51 Ų5132.4 Ų32.436%0.35718%0.179SC..PPolyproline II helixtrans-69.5157.6171.279.90000111.3S111 Q112 I113S109-S111 VanDerWaalsContact C-N 3.26Å; S109-S111 PolarHBondContact O-N 2.95Å; S109-Q112 WeakPolarHBondContact O-CB 3.25Å; S109-Q112 PolarHBondContact O-N 2.84Å; S109-Q112 VanDerWaalsContact OG-CG 3.3Å; S109-Q112 WeakPolarHBondContact OG-CG 3.4Å; S109-Q112 PolarHBondContact OG-N 2.92Å; S109-Q112 PolarHBondContact OG-OE1 3.36Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å; S109-I113 PolarHBondContact O-N 2.99Å
110E97.8Very high95.5Very high34 Ų3429.9 Ų29.916%0.15917%0.167CC..Hα-helixtrans-57.6-40.5-178.6-172170134.300112.1I113 A114 W242 T243 F246 F272E110-I113 PolarHBondContact O-N 2.87Å; E110-A114 WeakPolarHBondContact O-CB 3.48Å; E110-A114 PolarHBondContact O-N 2.82Å; E110-W242 HydrophobicContact CB-CE3 4.02Å; E110-W242 HydrophobicContact CB-CZ3 4Å; E110-W242 HydrophobicContact CG-CE3 4.37Å; E110-W242 WeakPolarHBondContact OE2-CA 3.5Å; E110-T243 VanDerWaalsContact OE1-CB 3.28Å; E110-T243 WeakPolarHBondContact OE1-CB 3.49Å; E110-T243 WeakPolarHBondContact OE1-CG2 3.2Å; E110-T243 PolarHBondContact OE1-OG1 2.91Å; E110-T243 PolarHBondContact OE2-N 2.93Å; E110-F246 HydrophobicContact CG-CB 4.08Å; E110-F246 HydrophobicContact CG-CD1 3.84Å; E110-F246 HydrophobicContact CG-CG 4.16Å; E110-F272 HydrophobicContact CG-CE2 3.64Å; E110-F272 HydrophobicContact CG-CZ 4.46Å
111S97.3Very high95.9Very high53 Ų5325.3 Ų25.337%0.37114%0.143SC..Hα-helixtrans-67-37.1175.7-54.10000112.9S109 A114 Y115S109-S111 VanDerWaalsContact C-N 3.26Å; S109-S111 PolarHBondContact O-N 2.95Å; S111-A114 WeakPolarHBondContact O-CB 3.46Å; S111-A114 PolarHBondContact O-N 3.37Å; S111-Y115 PolarHBondContact O-N 2.84Å
112Q98.1Very high96.1Very high21 Ų2128 Ų2810%0.09816%0.155CC..Hα-helixtrans-63.9-48.1173.8-76167.5-2400110.7L108 S109 A114 Y115 M116 L281L108-Q112 HydrophobicContact CB-CB 4.06Å; L108-Q112 HydrophobicContact CD2-CB 4.21Å; L108-Q112 HydrophobicContact CG-CB 4.26Å; S109-Q112 WeakPolarHBondContact O-CB 3.25Å; S109-Q112 PolarHBondContact O-N 2.84Å; S109-Q112 VanDerWaalsContact OG-CG 3.3Å; S109-Q112 WeakPolarHBondContact OG-CG 3.4Å; S109-Q112 PolarHBondContact OG-N 2.92Å; S109-Q112 PolarHBondContact OG-OE1 3.36Å; Q112-A114 VanDerWaalsContact C-N 3.28Å; Q112-A114 PolarHBondContact O-N 2.84Å; Q112-Y115 PolarHBondContact O-N 2.95Å; Q112-Y115 VanDerWaalsContact O-N 3.14Å; Q112-M116 WeakPolarHBondContact O-CG 3.48Å; Q112-M116 PolarHBondContact O-N 3.46Å; Q112-L281 HydrophobicContact CG-CB 4.08Å; Q112-L281 WeakPolarHBondContact CG-O 3.42Å; Q112-L281 PolarHBondContact NE2-O 2.99Å; Q112-L281 VanDerWaalsContact NE2-O 3.16Å
113I98.6Very high96.2Very high0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-59.8-40.6176.6-60.8172.9000110.7L108 S109 E110 M116 S117 A204 L207 A208 W242 F246 F272L108-I113 HydrophobicContact CB-CD1 4.19Å; L108-I113 HydrophobicContact CB-CG1 3.61Å; S109-I113 WeakPolarHBondContact O-CG1 3.43Å; S109-I113 PolarHBondContact O-N 2.99Å; E110-I113 PolarHBondContact O-N 2.87Å; I113-M116 PolarHBondContact O-N 2.86Å; I113-S117 WeakPolarHBondContact O-CB 3.2Å; I113-S117 PolarHBondContact O-N 3.14Å; I113-S117 PolarHBondContact O-OG 2.99Å; I113-A204 HydrophobicContact CG2-CB 4.12Å; I113-L207 HydrophobicContact CD1-CB 4.15Å; I113-L207 HydrophobicContact CG1-CB 3.89Å; I113-A208 HydrophobicContact CD1-CB 3.76Å; I113-W242 HydrophobicContact CD1-CH2 4.29Å; I113-F246 HydrophobicContact CD1-CE1 4.1Å; I113-F246 HydrophobicContact CD1-CZ 3.99Å; I113-F246 HydrophobicContact CG2-CE2 4.01Å; I113-F246 HydrophobicContact CG2-CZ 3.87Å; I113-F272 HydrophobicContact CB-CZ 4.34Å; I113-F272 HydrophobicContact CG2-CE1 4.4Å; I113-F272 HydrophobicContact CG2-CZ 4.06Å
114A98.4Very high96.5Very high0 Ų021.3 Ų21.30%013%0.125CC..Hα-helixtrans-59.9-45.5174.400000112.6E110 S111 Q112 S117 R118 F272 L277E110-A114 WeakPolarHBondContact O-CB 3.48Å; E110-A114 PolarHBondContact O-N 2.82Å; S111-A114 WeakPolarHBondContact O-CB 3.46Å; S111-A114 PolarHBondContact O-N 3.37Å; Q112-A114 VanDerWaalsContact C-N 3.28Å; Q112-A114 PolarHBondContact O-N 2.84Å; A114-S117 PolarHBondContact O-N 3.32Å; A114-R118 WeakPolarHBondContact O-CB 3.34Å; A114-R118 PolarHBondContact O-N 2.98Å; A114-F272 HydrophobicContact CB-CD1 4.34Å; A114-F272 HydrophobicContact CB-CD2 4.23Å; A114-F272 HydrophobicContact CB-CE1 4Å; A114-F272 HydrophobicContact CB-CE2 3.85Å; A114-F272 HydrophobicContact CB-CG 4.45Å; A114-F272 HydrophobicContact CB-CZ 3.73Å; A114-F272 VanDerWaalsContact CB-O 3.22Å; A114-F272 WeakPolarHBondContact CB-O 3.38Å; A114-L277 HydrophobicContact CB-CD1 3.79Å; A114-L277 HydrophobicContact CB-CD2 3.95Å
115Y98.4Very high96.9Very high4 Ų422.8 Ų22.82%0.01612%0.123CC..Hα-helixtrans-61.9-53.2175.7178.4-109.5000111.2S111 Q112 S117 R118 E119 G148 V150 L277 A282S111-Y115 PolarHBondContact O-N 2.84Å; Q112-Y115 PolarHBondContact O-N 2.95Å; Q112-Y115 VanDerWaalsContact O-N 3.14Å; Y115-S117 VanDerWaalsContact C-N 3.26Å; Y115-S117 PolarHBondContact O-N 3.28Å; Y115-R118 PolarHBondContact O-N 3.16Å; Y115-R118 VanDerWaalsContact O-N 3.11Å; Y115-E119 HydrophobicContact CD2-CG 4.05Å; Y115-E119 HydrophobicContact CE1-CG 4.14Å; Y115-E119 HydrophobicContact CE2-CG 3.57Å; Y115-E119 WeakPolarHBondContact O-CG 3.49Å; Y115-E119 PolarHBondContact O-N 2.66Å; Y115-E119 VanDerWaalsContact O-N 3.08Å; Y115-G148 PolarHBondContact OH-O 2.84Å; Y115-V150 HydrophobicContact CD1-CG2 4.22Å; Y115-V150 HydrophobicContact CE1-CG2 3.63Å; Y115-L277 HydrophobicContact CD2-CB 4.16Å; Y115-A282 HydrophobicContact CD1-CB 3.99Å; Y115-A282 HydrophobicContact CE1-CB 3.66Å
116M98.3Very high97.2Very high1 Ų124.1 Ų24.11%0.00513%0.127CC..Hα-helixtrans-57.6-40.5179-57.8-44.5172.900112L98 L108 Q112 I113 T120 L144 V150 L207 A282 L285L98-M116 HydrophobicContact CD1-CB 3.94Å; L98-M116 HydrophobicContact CD1-CG 3.79Å; L98-M116 HydrophobicContact CD1-SD 4.32Å; L98-M116 HydrophobicContact CD2-CE 3.91Å; L98-M116 HydrophobicContact CD2-CG 4.14Å; L98-M116 HydrophobicContact CD2-SD 3.97Å; L108-M116 HydrophobicContact CD2-CG 4.18Å; Q112-M116 WeakPolarHBondContact O-CG 3.48Å; Q112-M116 PolarHBondContact O-N 3.46Å; I113-M116 PolarHBondContact O-N 2.86Å; M116-T120 WeakPolarHBondContact O-CB 3.26Å; M116-T120 PolarHBondContact O-N 3.27Å; M116-T120 PolarHBondContact O-OG1 2.9Å; M116-L144 HydrophobicContact CE-CD1 3.92Å; M116-L144 HydrophobicContact CE-CD2 4.09Å; M116-L144 HydrophobicContact SD-CD2 3.95Å; M116-V150 HydrophobicContact SD-CG2 3.54Å; M116-V150 VanDerWaalsContact SD-CG2 3.54Å; M116-L207 HydrophobicContact CB-CD1 4.19Å; M116-A282 HydrophobicContact CE-CB 3.73Å; M116-L285 HydrophobicContact CE-CD2 3.83Å
117S98.5Very high97.2Very high6 Ų623.2 Ų23.24%0.04212%0.118CC..Hα-helixtrans-65-43.1177-61.70000112.2I113 A114 Y115 L121I113-S117 WeakPolarHBondContact O-CB 3.2Å; I113-S117 PolarHBondContact O-N 3.14Å; I113-S117 PolarHBondContact O-OG 2.99Å; A114-S117 PolarHBondContact O-N 3.32Å; Y115-S117 VanDerWaalsContact C-N 3.26Å; Y115-S117 PolarHBondContact O-N 3.28Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 WeakPolarHBondContact O-CD1 3.3Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.28Å
118R98.6Very high97Very high50 Ų5022.2 Ų22.219%0.18911%0.109CC..Hα-helixtrans-60.9-52178.3-171.2-17373.3-168.4-2.8111.4A114 Y115 T120 L121 Q122 L268 V273 L277A114-R118 WeakPolarHBondContact O-CB 3.34Å; A114-R118 PolarHBondContact O-N 2.98Å; Y115-R118 PolarHBondContact O-N 3.16Å; Y115-R118 VanDerWaalsContact O-N 3.11Å; R118-T120 VanDerWaalsContact C-N 3.35Å; R118-T120 PolarHBondContact O-N 3.07Å; R118-L121 PolarHBondContact O-N 3.02Å; R118-Q122 WeakPolarHBondContact O-CG 3.47Å; R118-Q122 PolarHBondContact O-N 2.97Å; R118-L268 HydrophobicContact CG-CD2 4.02Å; R118-V273 HydrophobicContact CB-CB 3.93Å; R118-V273 HydrophobicContact CB-CG1 4.25Å; R118-V273 WeakPolarHBondContact CD-O 3.41Å; R118-V273 HydrophobicContact CG-CB 4.23Å; R118-L277 PolarHBondContact NH1-O 2.75Å; R118-L277 PolarHBondContact NH2-O 2.98Å; R118-L277 VanDerWaalsContact NH2-O 3.17Å
119E98.3Very high96.8Very high15 Ų1525.9 Ų25.97%0.0714%0.135CC..Hα-helixtrans-66.8-37.8-177-57.9-61.5118.900111.6N72 Y115 Q122 G123 V150N72-E119 WeakPolarHBondContact CB-O 3.44Å; N72-E119 PolarHBondContact ND2-OE2 3.38Å; Y115-E119 HydrophobicContact CD2-CG 4.05Å; Y115-E119 HydrophobicContact CE1-CG 4.14Å; Y115-E119 HydrophobicContact CE2-CG 3.57Å; Y115-E119 WeakPolarHBondContact O-CG 3.49Å; Y115-E119 PolarHBondContact O-N 2.66Å; Y115-E119 VanDerWaalsContact O-N 3.08Å; E119-Q122 PolarHBondContact O-N 3.39Å; E119-Q122 PolarHBondContact OE2-OE1 3.05Å; E119-G123 PolarHBondContact O-N 3.26Å; E119-V150 HydrophobicContact CB-CB 3.58Å; E119-V150 HydrophobicContact CB-CG1 4.06Å; E119-V150 HydrophobicContact CB-CG2 3.75Å; E119-V150 HydrophobicContact CG-CB 4.11Å; E119-V150 HydrophobicContact CG-CG2 3.79Å
120T98.4Very high96.2Very high4 Ų429.3 Ų29.33%0.02514%0.143CC..Hα-helixtrans-59.4-46170.9-64.40000111.3M116 R118 Q122 G123 L124 I137 I142 L152 V200M116-T120 WeakPolarHBondContact O-CB 3.26Å; M116-T120 PolarHBondContact O-N 3.27Å; M116-T120 PolarHBondContact O-OG1 2.9Å; R118-T120 VanDerWaalsContact C-N 3.35Å; R118-T120 PolarHBondContact O-N 3.07Å; T120-Q122 VanDerWaalsContact C-N 3.33Å; T120-Q122 PolarHBondContact O-N 2.8Å; T120-G123 PolarHBondContact O-N 3.44Å; T120-L124 HydrophobicContact CG2-CD1 4.16Å; T120-L124 WeakPolarHBondContact O-CG 3.32Å; T120-L124 PolarHBondContact O-N 2.93Å; T120-I137 HydrophobicContact CG2-CD1 4.42Å; T120-I137 HydrophobicContact CG2-CG2 4.36Å; T120-I142 HydrophobicContact CG2-CD1 4.31Å; T120-L152 HydrophobicContact CG2-CD2 4.06Å; T120-V200 HydrophobicContact CG2-CG2 3.75Å
121L98.5Very high95.4Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-67.1-30.2178-73.4168.2000112.9S117 R118 Y125 I197 V200 F249 A264 L267 L268S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 WeakPolarHBondContact O-CD1 3.3Å; S117-L121 WeakPolarHBondContact O-CG 3.39Å; S117-L121 PolarHBondContact O-N 3.28Å; R118-L121 PolarHBondContact O-N 3.02Å; L121-Y125 VanDerWaalsContact O-CB 3.25Å; L121-Y125 WeakPolarHBondContact O-CB 3.4Å; L121-Y125 PolarHBondContact O-N 3.24Å; L121-I197 HydrophobicContact CD2-CD1 3.82Å; L121-V200 HydrophobicContact CD2-CG1 4.33Å; L121-V200 HydrophobicContact CD2-CG2 4.31Å; L121-V200 HydrophobicContact CG-CG1 4.39Å; L121-F249 HydrophobicContact CD1-CE2 3.96Å; L121-F249 HydrophobicContact CD1-CZ 4.04Å; L121-A264 HydrophobicContact CD2-CB 4.29Å; L121-L267 HydrophobicContact CD1-CB 4.17Å; L121-L267 HydrophobicContact CD1-CD2 3.96Å; L121-L267 HydrophobicContact CD1-CG 3.84Å; L121-L267 HydrophobicContact CD2-CB 4.43Å; L121-L267 HydrophobicContact CD2-CD2 4Å; L121-L268 HydrophobicContact CB-CD1 4.46Å; L121-L268 HydrophobicContact CB-CD2 3.62Å; L121-L268 HydrophobicContact CB-CG 3.83Å
122Q98.1Very high94.6Very high57 Ų5730.2 Ų30.227%0.26616%0.159SC..Hα-helixtrans-66.5-45.1171.3-70.2168.5-6.100111.4N72 R118 E119 T120 Y125 Y126 L268N72-Q122 PolarHBondContact OD1-OE1 2.71Å; R118-Q122 WeakPolarHBondContact O-CG 3.47Å; R118-Q122 PolarHBondContact O-N 2.97Å; E119-Q122 PolarHBondContact O-N 3.39Å; E119-Q122 PolarHBondContact OE2-OE1 3.05Å; T120-Q122 VanDerWaalsContact C-N 3.33Å; T120-Q122 PolarHBondContact O-N 2.8Å; Q122-Y125 PolarHBondContact O-N 3.14Å; Q122-Y126 PolarHBondContact O-N 3.07Å; Q122-Y126 VanDerWaalsContact O-N 3.08Å; Q122-L268 HydrophobicContact CG-CD1 4.31Å; Q122-L268 HydrophobicContact CG-CD2 3.94Å
123G96.1Very high93.7Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-60.4-43.8173.400000112.8E119 T120 Y126 L127E119-G123 PolarHBondContact O-N 3.26Å; T120-G123 PolarHBondContact O-N 3.44Å; G123-Y126 PolarHBondContact O-N 3.34Å; G123-L127 WeakPolarHBondContact O-CG 3.36Å; G123-L127 PolarHBondContact O-N 2.8Å
124L95.6Very high93.1Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-66-42175.2-72.5176.6000112.7T120 Y126 L127 H128 H134 I137 L152 D196 V200 A264T120-L124 HydrophobicContact CG2-CD1 4.16Å; T120-L124 WeakPolarHBondContact O-CG 3.32Å; T120-L124 PolarHBondContact O-N 2.93Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 3.46Å; L124-L127 HydrophobicContact CD2-CD1 4.42Å; L124-L127 PolarHBondContact O-N 2.68Å; L124-H128 VanDerWaalsContact O-CB 3.27Å; L124-H128 WeakPolarHBondContact O-CB 3.32Å; L124-H128 PolarHBondContact O-CD2 2.88Å; L124-H128 PolarHBondContact O-N 2.8Å; L124-H134 HydrophobicContact CD2-CB 3.97Å; L124-I137 HydrophobicContact CD1-CD1 4.39Å; L124-I137 HydrophobicContact CD1-CG1 4.33Å; L124-I137 HydrophobicContact CD2-CD1 3.95Å; L124-I137 HydrophobicContact CD2-CG1 4.13Å; L124-I137 HydrophobicContact CG-CD1 4.36Å; L124-L152 HydrophobicContact CD2-CD1 4.4Å; L124-L152 HydrophobicContact CG-CD1 4.28Å; L124-D196 HydrophobicContact CD1-CB 3.93Å; L124-D196 HydrophobicContact CD2-CB 3.72Å; L124-D196 HydrophobicContact CG-CB 4.46Å; L124-V200 HydrophobicContact CD1-CG2 3.49Å; L124-V200 VanDerWaalsContact CD1-CG2 3.49Å; L124-A264 HydrophobicContact CB-CB 4.36Å
125Y97.1Very high92.3Very high105 Ų10535.2 Ų35.241%0.41218%0.18SC..Hα-helixtrans-56.6-44.5174.9173.7-109.6000111.4L121 Q122 H128 S129 E265L121-Y125 VanDerWaalsContact O-CB 3.25Å; L121-Y125 WeakPolarHBondContact O-CB 3.4Å; L121-Y125 PolarHBondContact O-N 3.24Å; Q122-Y125 PolarHBondContact O-N 3.14Å; Y125-H128 PolarHBondContact O-N 3.4Å; Y125-S129 WeakPolarHBondContact O-CB 3.4Å; Y125-S129 PolarHBondContact O-N 3.49Å; Y125-E265 HydrophobicContact CD2-CB 3.74Å; Y125-E265 HydrophobicContact CD2-CG 4.38Å; Y125-E265 HydrophobicContact CE2-CB 3.69Å; Y125-E265 HydrophobicContact CE2-CG 3.88Å
126Y95.3Very high91.5Very high38 Ų3835.8 Ų35.815%0.14918%0.183CC..Hα-helixtrans-59.4-52.1172.9176.1-87.7000112.2C68 K69 H70 I73 Q122 G123 L124 H128 S129 K130C68-Y126 HydrophobicContact CB-CE1 4.23Å; K69-Y126 PolarHBondContact N-OH 2.75Å; K69-Y126 WeakPolarHBondContact O-CE2 3.25Å; K69-Y126 PolarHBondContact O-OH 3.45Å; H70-Y126 HydrophobicContact CB-CD1 3.9Å; H70-Y126 HydrophobicContact CB-CD2 3.96Å; H70-Y126 HydrophobicContact CB-CE1 4.16Å; H70-Y126 HydrophobicContact CB-CE2 4.19Å; H70-Y126 HydrophobicContact CB-CG 3.79Å; H70-Y126 AromaticContact CD2-CD2 3.57Å; H70-Y126 AromaticContact CD2-CG 3.76Å; H70-Y126 AromaticContact CG-CD2 3.95Å; H70-Y126 AromaticContact CG-CG 3.77Å; I73-Y126 HydrophobicContact CD1-CD1 3.52Å; I73-Y126 HydrophobicContact CD1-CE1 3.97Å; I73-Y126 HydrophobicContact CD1-CG 4.44Å; Q122-Y126 PolarHBondContact O-N 3.07Å; Q122-Y126 VanDerWaalsContact O-N 3.08Å; G123-Y126 PolarHBondContact O-N 3.34Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 3.46Å; Y126-H128 VanDerWaalsContact C-N 3.33Å; Y126-H128 PolarHBondContact O-N 3.46Å; Y126-S129 PolarHBondContact O-N 3.1Å; Y126-S129 PolarHBondContact O-OG 2.97Å; Y126-K130 HydrophobicContact CE1-CG 4.21Å; Y126-K130 PolarHBondContact O-N 2.72Å
127L90.8Very high91.2Very high1 Ų135.8 Ų35.81%0.00518%0.183CC..Hα-helixtrans-58.1-45.7179.3-72.9173.7000111.7C68 I73 G123 L124 S129 K130 G131 K132 H134 F155C68-L127 VanDerWaalsContact SG-CD2 3.57Å; I73-L127 HydrophobicContact CD1-CD1 4.45Å; I73-L127 HydrophobicContact CD1-CD2 3.86Å; I73-L127 HydrophobicContact CD1-CG 3.87Å; G123-L127 WeakPolarHBondContact O-CG 3.36Å; G123-L127 PolarHBondContact O-N 2.8Å; L124-L127 HydrophobicContact CD2-CD1 4.42Å; L124-L127 PolarHBondContact O-N 2.68Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.96Å; L127-K130 CarbonylContact O-C 3.6Å; L127-K130 WeakPolarHBondContact O-CA 3.47Å; L127-K130 WeakPolarHBondContact O-CB 3.43Å; L127-K130 PolarHBondContact O-N 3.44Å; L127-G131 PolarHBondContact O-N 2.84Å; L127-K132 CarbonylContact C-O 3.59Å; L127-K132 HydrophobicContact CB-CB 4.33Å; L127-K132 HydrophobicContact CD2-CB 4.18Å; L127-K132 HydrophobicContact CD2-CD 4.32Å; L127-K132 PolarHBondContact O-N 3.06Å; L127-H134 HydrophobicContact CD1-CB 4.37Å; L127-F155 HydrophobicContact CD1-CB 4.31Å; L127-F155 HydrophobicContact CD2-CD2 4.02Å; L127-F155 HydrophobicContact CD2-CE2 4.33Å
128H91.1Very high90.9Very high23 Ų2337 Ų3711%0.10619%0.188CC..Hα-helixtrans-65.6-37.1-179.3-64.7-173.5000111.3L124 Y125 Y126 K130 G131 K132 Q193 D196L124-H128 VanDerWaalsContact O-CB 3.27Å; L124-H128 WeakPolarHBondContact O-CB 3.32Å; L124-H128 PolarHBondContact O-CD2 2.88Å; L124-H128 PolarHBondContact O-N 2.8Å; Y125-H128 PolarHBondContact O-N 3.4Å; Y126-H128 VanDerWaalsContact C-N 3.33Å; Y126-H128 PolarHBondContact O-N 3.46Å; H128-K130 PolarHBondContact O-N 2.73Å; H128-G131 PolarHBondContact O-N 2.86Å; H128-K132 PolarHBondContact CD2-O 2.9Å; H128-Q193 HydrophobicContact CB-CG 4.08Å; H128-Q193 PolarHBondContact CE1-O 3.45Å; H128-Q193 PolarHBondContact NE2-O 3.34Å; H128-D196 IonicContact CD2-OD2 2.75Å; H128-D196 IonicContact CE1-OD2 3.7Å; H128-D196 IonicContact NE2-OD2 2.79Å; H128-D196 PolarHBondContact NE2-OD2 3.18Å
129S91.6Very high90.7Very high80 Ų8034.7 Ų34.756%0.55918%0.179SC*.Hα-helixtrans-64.3-24.2172.881.10000113.4Y125 Y126 L127Y125-S129 WeakPolarHBondContact O-CB 3.4Å; Y125-S129 PolarHBondContact O-N 3.49Å; Y126-S129 PolarHBondContact O-N 3.1Å; Y126-S129 PolarHBondContact O-OG 2.97Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.96Å
130K85.6Confident90.3Very high124 Ų12435.2 Ų35.254%0.53919%0.186SC..THydrogen-bonded Turntrans-91.35.6173.5-63.8-63.7-174178.60113.3Y126 L127 H128 K132Y126-K130 HydrophobicContact CE1-CG 4.21Å; Y126-K130 PolarHBondContact O-N 2.72Å; L127-K130 CarbonylContact O-C 3.6Å; L127-K130 WeakPolarHBondContact O-CA 3.47Å; L127-K130 WeakPolarHBondContact O-CB 3.43Å; L127-K130 PolarHBondContact O-N 3.44Å; H128-K130 PolarHBondContact O-N 2.73Å; K130-K132 HydrophobicContact CB-CD 4.43Å; K130-K132 HydrophobicContact CB-CG 4.35Å; K130-K132 PolarHBondContact O-N 3.15Å
131G80.9Confident90Very high68 Ų6835.7 Ų35.770%0.70119%0.188SC*.THydrogen-bonded Turntrans70.115.6-175.900000114.4L127 H128L127-G131 PolarHBondContact O-N 2.84Å; H128-G131 PolarHBondContact O-N 2.86Å
132K80.8Confident89.9Confident37 Ų3735.8 Ų35.816%0.16119%0.189CC..  trans-97.6155.5179.7-63.6179.3178.5175.30110.8M64 C68 L127 H128 K130M64-K132 PolarHBondContact O-NZ 2.9Å; C68-K132 PolarHBondContact SG-NZ 2.85Å; L127-K132 CarbonylContact C-O 3.59Å; L127-K132 HydrophobicContact CB-CB 4.33Å; L127-K132 HydrophobicContact CD2-CB 4.18Å; L127-K132 HydrophobicContact CD2-CD 4.32Å; L127-K132 PolarHBondContact O-N 3.06Å; H128-K132 PolarHBondContact CD2-O 2.9Å; K130-K132 HydrophobicContact CB-CD 4.43Å; K130-K132 HydrophobicContact CB-CG 4.35Å; K130-K132 PolarHBondContact O-N 3.15Å
133M79.8Confident89.8Confident48 Ų4834.7 Ų34.724%0.23618%0.184CC..  trans-126.4146.5175.5-64.6-176.2-85.300109.3R135 Y191 Q193M133-R135 HydrophobicContact CB-CG 3.97Å; M133-Y191 HydrophobicContact SD-CD2 4.41Å; M133-Y191 HydrophobicContact SD-CE2 4.33Å; M133-Q193 HydrophobicContact CG-CB 3.64Å; M133-Q193 HydrophobicContact SD-CB 4.21Å; M133-Q193 PolarHBondContact SD-N 3.16Å; M133-Q193 VanDerWaalsContact SD-N 3.41Å
134H85Confident89.9Confident0 Ų034.7 Ų34.70%018%0.184CC..  trans-85-41.1177.5-167.8-46.7000112.6L124 L127 D136 I137 A153 D196L124-H134 HydrophobicContact CD2-CB 3.97Å; L127-H134 HydrophobicContact CD1-CB 4.37Å; H134-D136 PolarHBondContact O-N 2.93Å; H134-D136 VanDerWaalsContact O-N 3.1Å; H134-I137 HydrophobicContact CB-CD1 3.98Å; H134-I137 HydrophobicContact CB-CG1 3.96Å; H134-I137 WeakPolarHBondContact CD2-CD1 3.47Å; H134-A153 PolarHBondContact CE1-O 2.78Å; H134-A153 VanDerWaalsContact CE1-O 3.24Å; H134-A153 PolarHBondContact NE2-O 2.94Å; H134-A153 VanDerWaalsContact NE2-O 3.1Å; H134-D196 PolarHBondContact N-OD1 3.18Å; H134-D196 PolarHBondContact N-OD2 2.73Å
135R80.8Confident89.9Confident79 Ų7935.2 Ų35.230%0.29819%0.188SC..SBendtrans66.5-6.4177.2-56.3176.3166.7162.8-8.2117.7M133 A159 Y191 D196M133-R135 HydrophobicContact CB-CG 3.97Å; R135-A159 HydrophobicContact CB-CB 4.48Å; R135-A159 VanDerWaalsContact CD-CB 3.49Å; R135-Y191 WeakPolarHBondContact CD-OH 3.36Å; R135-Y191 HydrophobicContact CG-CE2 4.26Å; R135-Y191 PolarHBondContact NE-OH 2.87Å; R135-Y191 VanDerWaalsContact NE-OH 3.08Å; R135-D196 PolarHBondContact N-OD1 3.06Å
136D81.8Confident89.6Confident15 Ų1535.1 Ų35.18%0.0819%0.194CC..  trans-147.652.6-178-164.837.7000110.9H134 K138 N141 T174H134-D136 PolarHBondContact O-N 2.93Å; H134-D136 VanDerWaalsContact O-N 3.1Å; D136-K138 VanDerWaalsContact CG-NZ 3.31Å; D136-K138 PolarHBondContact O-N 3.33Å; D136-K138 IonicContact OD1-NZ 3.23Å; D136-K138 PolarHBondContact OD1-NZ 2.72Å; D136-K138 VanDerWaalsContact OD1-NZ 3.15Å; D136-K138 IonicContact OD2-NZ 2.74Å; D136-K138 PolarHBondContact OD2-NZ 2.59Å; D136-N141 PolarHBondContact O-ND2 2.82Å; D136-N141 PolarHBondContact OD2-ND2 3.18Å; D136-T174 PolarHBondContact OD1-OG1 2.81Å
137I91.9Very high89.5Confident1 Ų138.1 Ų38.11%0.00521%0.213CC..  trans-77.4118.8174.2-66.5-72.4000109T120 L124 H134 I142 L152 W177 D196 A199 V200 T203T120-I137 HydrophobicContact CG2-CD1 4.42Å; T120-I137 HydrophobicContact CG2-CG2 4.36Å; L124-I137 HydrophobicContact CD1-CD1 4.39Å; L124-I137 HydrophobicContact CD1-CG1 4.33Å; L124-I137 HydrophobicContact CD2-CD1 3.95Å; L124-I137 HydrophobicContact CD2-CG1 4.13Å; L124-I137 HydrophobicContact CG-CD1 4.36Å; H134-I137 HydrophobicContact CB-CD1 3.98Å; H134-I137 HydrophobicContact CB-CG1 3.96Å; H134-I137 WeakPolarHBondContact CD2-CD1 3.47Å; I137-I142 HydrophobicContact CG2-CD1 4.47Å; I137-L152 HydrophobicContact CD1-CD1 4.29Å; I137-L152 HydrophobicContact CD1-CD2 4.04Å; I137-W177 VanDerWaalsContact O-CD1 3.31Å; I137-D196 HydrophobicContact CG1-CB 4.42Å; I137-A199 HydrophobicContact CB-CB 3.8Å; I137-A199 HydrophobicContact CG2-CB 4.33Å; I137-V200 HydrophobicContact CG2-CG2 3.98Å; I137-T203 PolarHBondContact O-OG1 3.39Å
138K92.9Very high89.6Confident33 Ų3338 Ų3814%0.14321%0.213CC..SBendtrans-161.9165.1179.365.9-161.7-172.9-153.50109.5D136 A140 N141 I142 T174 W177 T203D136-K138 VanDerWaalsContact CG-NZ 3.31Å; D136-K138 PolarHBondContact O-N 3.33Å; D136-K138 IonicContact OD1-NZ 3.23Å; D136-K138 PolarHBondContact OD1-NZ 2.72Å; D136-K138 VanDerWaalsContact OD1-NZ 3.15Å; D136-K138 IonicContact OD2-NZ 2.74Å; D136-K138 PolarHBondContact OD2-NZ 2.59Å; K138-A140 HydrophobicContact CG-CB 4.13Å; K138-A140 PolarHBondContact O-N 2.75Å; K138-A140 VanDerWaalsContact O-N 3.13Å; K138-N141 HydrophobicContact CG-CB 4.34Å; K138-N141 PolarHBondContact O-N 3.46Å; K138-I142 PolarHBondContact O-N 2.95Å; K138-T174 HydrophobicContact CD-CG2 4.32Å; K138-T174 PolarHBondContact NZ-OG1 3.11Å; K138-W177 HydrophobicContact CB-CD2 4.03Å; K138-W177 HydrophobicContact CB-CG 4.06Å; K138-W177 HydrophobicContact CB-CZ2 4.16Å; K138-T203 WeakPolarHBondContact CA-OG1 3.38Å
139G93.9Very high89.9Confident0 Ų042 Ų420%023%0.227CC..G310 helixtrans-54.2-33.7-179.500000114.5L98 Q99 N141 E206L98-G139 PolarHBondContact N-O 3.03Å; Q99-G139 PolarHBondContact N-O 2.88Å; G139-N141 VanDerWaalsContact C-N 3.31Å; G139-N141 PolarHBondContact O-N 2.88Å; G139-E206 VanDerWaalsContact CA-OE1 3.28Å; G139-E206 WeakPolarHBondContact CA-OE1 3.27Å; G139-E206 VanDerWaalsContact N-CD 3.3Å; G139-E206 PolarHBondContact N-OE1 3.3Å; G139-E206 PolarHBondContact N-OE2 2.62Å
140A90.6Very high90.2Very high26 Ų2638.2 Ų38.222%0.21520%0.201CC..G310 helixtrans-67.4-24.7177.800000114.6S97 Q99 K138S97-A140 VanDerWaalsContact CB-O 3.27Å; S97-A140 WeakPolarHBondContact CB-O 3.22Å; Q99-A140 HydrophobicContact CB-CB 4.14Å; K138-A140 HydrophobicContact CG-CB 4.13Å; K138-A140 PolarHBondContact O-N 2.75Å; K138-A140 VanDerWaalsContact O-N 3.13Å
141N92Very high90.7Very high14 Ų1433.3 Ų33.38%0.07518%0.18CC..G310 helixtrans-1042.6-176.4-67.2-7000113D136 K138 G139 A153D136-N141 PolarHBondContact O-ND2 2.82Å; D136-N141 PolarHBondContact OD2-ND2 3.18Å; K138-N141 HydrophobicContact CG-CB 4.34Å; K138-N141 PolarHBondContact O-N 3.46Å; G139-N141 VanDerWaalsContact C-N 3.31Å; G139-N141 PolarHBondContact O-N 2.88Å; N141-A153 PolarHBondContact O-N 2.9Å
142I96.4Very high91.3Very high2 Ų230.1 Ų30.11%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-107.4112.9173.7-57.3168.8000107S97 L98 T120 I137 K138 V150 L152 T203S97-I142 CarbonylContact C-O 3.44Å; S97-I142 WeakPolarHBondContact CA-O 3.41Å; L98-I142 HydrophobicContact CD1-CB 3.89Å; L98-I142 HydrophobicContact CD1-CD1 4.36Å; L98-I142 HydrophobicContact CD1-CG2 3.53Å; L98-I142 HydrophobicContact CG-CB 4.17Å; L98-I142 HydrophobicContact CG-CG2 3.96Å; L98-I142 PolarHBondContact N-O 2.9Å; T120-I142 HydrophobicContact CG2-CD1 4.31Å; I137-I142 HydrophobicContact CG2-CD1 4.47Å; K138-I142 PolarHBondContact O-N 2.95Å; I142-V150 HydrophobicContact CG2-CG1 3.41Å; I142-V150 VanDerWaalsContact CG2-CG1 3.41Å; I142-L152 HydrophobicContact CG1-CD2 3.89Å; I142-T203 HydrophobicContact CD1-CG2 3.79Å
143L96.4Very high91.7Very high34 Ų3428.7 Ų28.718%0.17814%0.142CC..EExtended strand (participates in β ladder)trans-104.7153.9-174.9-48.2-174.9000112V74 C93 G96 V150 K151 A153V74-L143 HydrophobicContact CG2-CD1 4.14Å; C93-L143 HydrophobicContact CB-CB 3.63Å; C93-L143 HydrophobicContact CB-CD1 3.92Å; C93-L143 HydrophobicContact CB-CG 4.44Å; G96-L143 CarbonylContact O-C 3.56Å; G96-L143 VanDerWaalsContact O-CA 3.25Å; G96-L143 WeakPolarHBondContact O-CA 3.39Å; L143-V150 CarbonylContact O-C 3.6Å; L143-V150 WeakPolarHBondContact O-CA 3.34Å; L143-K151 HydrophobicContact CB-CB 4.41Å; L143-K151 PolarHBondContact N-O 2.99Å; L143-K151 PolarHBondContact O-N 3.26Å; L143-A153 HydrophobicContact CD1-CB 3.63Å; L143-A153 HydrophobicContact CD2-CB 4.47Å; L143-A153 HydrophobicContact CG-CB 3.8Å
144L97.2Very high91.6Very high0 Ų028.5 Ų28.50%014%0.142CC..EExtended strand (participates in β ladder)trans-109.6133.1168.5-64.6-169.1000111.8C93 G95 G96 L98 I101 M116 Y149 V150 A282 L286C93-L144 CarbonylContact C-O 3.53Å; C93-L144 VanDerWaalsContact C-O 3.26Å; C93-L144 WeakPolarHBondContact CB-O 3.33Å; G95-L144 VanDerWaalsContact CA-O 3.29Å; G95-L144 WeakPolarHBondContact CA-O 3.42Å; G95-L144 PolarHBondContact N-O 3.25Å; G96-L144 PolarHBondContact O-N 2.98Å; L98-L144 HydrophobicContact CD2-CD1 4.04Å; L98-L144 HydrophobicContact CD2-CD2 4.19Å; L98-L144 HydrophobicContact CD2-CG 3.92Å; I101-L144 HydrophobicContact CD1-CB 4.2Å; I101-L144 HydrophobicContact CD1-CD1 3.55Å; I101-L144 HydrophobicContact CD1-CG 3.91Å; M116-L144 HydrophobicContact CE-CD1 3.92Å; M116-L144 HydrophobicContact CE-CD2 4.09Å; M116-L144 HydrophobicContact SD-CD2 3.95Å; L144-Y149 WeakPolarHBondContact CA-O 3.38Å; L144-V150 HydrophobicContact CD2-CB 4.28Å; L144-V150 HydrophobicContact CD2-CG2 3.75Å; L144-A282 HydrophobicContact CD1-CB 4.2Å; L144-L286 HydrophobicContact CB-CD1 4.44Å; L144-L286 HydrophobicContact CB-CD2 4.19Å; L144-L286 HydrophobicContact CD1-CD1 4.34Å; L144-L286 HydrophobicContact CD1-CD2 4.04Å; L144-L286 HydrophobicContact CD1-CG 4.01Å
145T95.4Very high90.8Very high12 Ų1229 Ų297%0.07414%0.144CC..  trans-72.8159.2161.668.60000110.3N147 G148 Y149 K151 L286T145-N147 PolarHBondContact O-N 2.72Å; T145-N147 PolarHBondContact OG1-N 3.23Å; T145-G148 PolarHBondContact O-N 3.24Å; T145-Y149 PolarHBondContact N-O 2.83Å; T145-Y149 WeakPolarHBondContact OG1-CB 3.28Å; T145-Y149 PolarHBondContact OG1-N 2.9Å; T145-Y149 VanDerWaalsContact OG1-N 3.08Å; T145-Y149 PolarHBondContact OG1-O 2.73Å; T145-K151 HydrophobicContact CG2-CG 3.95Å; T145-L286 WeakPolarHBondContact O-CD1 3.43Å
146D91.3Very high89.6Confident102 Ų10225.5 Ų25.555%0.54513%0.133SC..THydrogen-bonded Turntrans-56.2-22.8174.3-50.8-70.2000113.4G94 G148G94-D146 VanDerWaalsContact CA-OD1 3.25Å; G94-D146 WeakPolarHBondContact CA-OD1 3.43Å; D146-G148 VanDerWaalsContact C-N 3.33Å
147N93.3Very high88.2Confident101 Ų10125.1 Ų25.154%0.5413%0.131SC..THydrogen-bonded Turntrans-88.910.4177.4-66.7-59.5000114T145 Y149 R279T145-N147 PolarHBondContact O-N 2.72Å; T145-N147 PolarHBondContact OG1-N 3.23Å; N147-Y149 VanDerWaalsContact C-N 3.33Å; N147-Y149 HydrophobicContact CB-CD2 3.84Å; N147-Y149 HydrophobicContact CB-CE2 3.95Å; N147-Y149 PolarHBondContact O-N 3.29Å; N147-R279 WeakPolarHBondContact O-CD 3.46Å
148G93.9Very high86.2Confident0 Ų025.5 Ų25.50%013%0.134CC..SBendtrans76.27.1179.300000116.1Y115 T145 D146 A282Y115-G148 PolarHBondContact OH-O 2.84Å; T145-G148 PolarHBondContact O-N 3.24Å; D146-G148 VanDerWaalsContact C-N 3.33Å; G148-A282 VanDerWaalsContact O-CB 3.26Å; G148-A282 WeakPolarHBondContact O-CB 3.49Å
149Y97.1Very high83.8Confident106 Ų10624.6 Ų24.642%0.41613%0.132SC..  trans-74.4137.1172-63.7-76.8000112.2L144 T145 N147 R279L144-Y149 WeakPolarHBondContact CA-O 3.38Å; T145-Y149 PolarHBondContact N-O 2.83Å; T145-Y149 WeakPolarHBondContact OG1-CB 3.28Å; T145-Y149 PolarHBondContact OG1-N 2.9Å; T145-Y149 VanDerWaalsContact OG1-N 3.08Å; T145-Y149 PolarHBondContact OG1-O 2.73Å; N147-Y149 VanDerWaalsContact C-N 3.33Å; N147-Y149 HydrophobicContact CB-CD2 3.84Å; N147-Y149 HydrophobicContact CB-CE2 3.95Å; N147-Y149 PolarHBondContact O-N 3.29Å; Y149-R279 PolarHBondContact OH-NH1 2.86Å
150V98Very high81.5Confident1 Ų129 Ų291%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-89.6133.4178.6-173.10000111N72 Y115 M116 E119 I142 L143 L144N72-V150 VanDerWaalsContact CA-O 3.3Å; N72-V150 WeakPolarHBondContact CA-O 3.26Å; N72-V150 PolarHBondContact ND2-O 2.87Å; Y115-V150 HydrophobicContact CD1-CG2 4.22Å; Y115-V150 HydrophobicContact CE1-CG2 3.63Å; M116-V150 HydrophobicContact SD-CG2 3.54Å; M116-V150 VanDerWaalsContact SD-CG2 3.54Å; E119-V150 HydrophobicContact CB-CB 3.58Å; E119-V150 HydrophobicContact CB-CG1 4.06Å; E119-V150 HydrophobicContact CB-CG2 3.75Å; E119-V150 HydrophobicContact CG-CB 4.11Å; E119-V150 HydrophobicContact CG-CG2 3.79Å; I142-V150 HydrophobicContact CG2-CG1 3.41Å; I142-V150 VanDerWaalsContact CG2-CG1 3.41Å; L143-V150 CarbonylContact O-C 3.6Å; L143-V150 WeakPolarHBondContact O-CA 3.34Å; L144-V150 HydrophobicContact CD2-CB 4.28Å; L144-V150 HydrophobicContact CD2-CG2 3.75Å
151K96.4Very high79.3Confident21 Ų2128.2 Ų28.29%0.09115%0.145CC..EExtended strand (participates in β ladder)trans-133.6127.9-173.5-64.2-78.2-178.3157.50111.3S71 V74 E91 L143 T145S71-K151 VanDerWaalsContact O-CD 3.29Å; S71-K151 WeakPolarHBondContact O-CD 3.18Å; S71-K151 WeakPolarHBondContact O-CE 3.31Å; S71-K151 PolarHBondContact O-NZ 3.35Å; V74-K151 HydrophobicContact CG2-CB 3.79Å; E91-K151 WeakPolarHBondContact OE1-CE 3.33Å; E91-K151 IonicContact OE1-NZ 3.83Å; E91-K151 PolarHBondContact OE1-NZ 3.25Å; E91-K151 WeakPolarHBondContact OE2-CE 3.1Å; E91-K151 IonicContact OE2-NZ 2.85Å; E91-K151 PolarHBondContact OE2-NZ 2.68Å; L143-K151 HydrophobicContact CB-CB 4.41Å; L143-K151 PolarHBondContact N-O 2.99Å; L143-K151 PolarHBondContact O-N 3.26Å; T145-K151 HydrophobicContact CG2-CG 3.95Å
152L93.6Very high77Confident0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-82.1125.9171.1-58.7-178.6000110.8N72 V74 T120 L124 I137 I142N72-L152 WeakPolarHBondContact O-CG 3.24Å; N72-L152 PolarHBondContact O-N 2.84Å; V74-L152 WeakPolarHBondContact CG2-O 3.48Å; V74-L152 PolarHBondContact N-O 2.91Å; T120-L152 HydrophobicContact CG2-CD2 4.06Å; L124-L152 HydrophobicContact CD2-CD1 4.4Å; L124-L152 HydrophobicContact CG-CD1 4.28Å; I137-L152 HydrophobicContact CD1-CD1 4.29Å; I137-L152 HydrophobicContact CD1-CD2 4.04Å; I142-L152 HydrophobicContact CG1-CD2 3.89Å
153A88.9Confident74.5Confident8 Ų830.4 Ų30.47%0.06616%0.164CC..  trans-115163.4179.100000111.5V74 H134 N141 L143 F155V74-A153 HydrophobicContact CG2-CB 3.84Å; H134-A153 PolarHBondContact CE1-O 2.78Å; H134-A153 VanDerWaalsContact CE1-O 3.24Å; H134-A153 PolarHBondContact NE2-O 2.94Å; H134-A153 VanDerWaalsContact NE2-O 3.1Å; N141-A153 PolarHBondContact O-N 2.9Å; L143-A153 HydrophobicContact CD1-CB 3.63Å; L143-A153 HydrophobicContact CD2-CB 4.47Å; L143-A153 HydrophobicContact CG-CB 3.8Å; A153-F155 PolarHBondContact O-N 2.96Å
154D77.5Confident72Confident43 Ų4331.3 Ų31.323%0.2317%0.171CC..SBendtrans53.824.6176.8-77.1-4.1000115.6K45 G156K45-D154 IonicContact NZ-OD1 2.74Å; K45-D154 PolarHBondContact NZ-OD1 3.3Å; K45-D154 IonicContact NZ-OD2 2.77Å; K45-D154 PolarHBondContact NZ-OD2 3.31Å; D154-G156 PolarHBondContact O-N 3Å
155F68.6Low69.3Low11 Ų1134.5 Ų34.55%0.04819%0.188CC..THydrogen-bonded Turntrans-67.3120.8177.563.9-86.1000111.6M65 C68 I73 L127 A153 V157M65-F155 HydrophobicContact CB-CE2 4.41Å; M65-F155 HydrophobicContact CB-CZ 4.05Å; M65-F155 HydrophobicContact CG-CE1 4.21Å; M65-F155 HydrophobicContact CG-CE2 3.94Å; M65-F155 HydrophobicContact CG-CZ 3.72Å; C68-F155 HydrophobicContact CB-CE2 3.79Å; C68-F155 HydrophobicContact CB-CZ 3.75Å; I73-F155 HydrophobicContact CG2-CD1 3.88Å; I73-F155 HydrophobicContact CG2-CE1 3.21Å; I73-F155 HydrophobicContact CG2-CE2 4.46Å; I73-F155 HydrophobicContact CG2-CZ 3.55Å; L127-F155 HydrophobicContact CD1-CB 4.31Å; L127-F155 HydrophobicContact CD2-CD2 4.02Å; L127-F155 HydrophobicContact CD2-CE2 4.33Å; A153-F155 PolarHBondContact O-N 2.96Å; F155-V157 VanDerWaalsContact C-N 3.25Å; F155-V157 PolarHBondContact O-N 3.4Å
156G55.3Low66.8Low6 Ų635.1 Ų35.16%0.06219%0.194CC..THydrogen-bonded Turntrans74.41.8173.700000116.4D154D154-G156 PolarHBondContact O-N 3Å
157V51Low64.5Low7 Ų739.3 Ų39.34%0.04221%0.208CC..SBendtrans-92.9-10.6180-173.60000112.9E61 M65 F155 I161E61-V157 VanDerWaalsContact OE2-CA 3.26Å; E61-V157 WeakPolarHBondContact OE2-CA 3.02Å; M65-V157 HydrophobicContact CE-CG2 3.61Å; M65-V157 HydrophobicContact CG-CG2 4.31Å; M65-V157 HydrophobicContact SD-CG2 3.69Å; F155-V157 VanDerWaalsContact C-N 3.25Å; F155-V157 PolarHBondContact O-N 3.4Å; V157-I161 HydrophobicContact CG1-CD1 4.12Å
158S49.9Very low62Low9 Ų944.5 Ų44.56%0.06322%0.22CC..SBendtrans-112.313.6-169.460.30000114.7T162S158-T162 WeakPolarHBondContact O-CB 3.24Å; S158-T162 PolarHBondContact O-OG1 3.2Å
159A44Very low59.2Low13 Ų1353.6 Ų53.611%0.10726%0.259CS..SBendtrans-121-39.9-175.700000114.3R135 A163R135-A159 HydrophobicContact CB-CB 4.48Å; R135-A159 VanDerWaalsContact CD-CB 3.49Å; A159-A163 WeakPolarHBondContact O-CB 3.22Å; A159-A163 PolarHBondContact O-N 3.26Å
160Q44.4Very low56.5Low93 Ų9352 Ų5244%0.43526%0.264SS..Hα-helixtrans-99.4-39.1-179.9-69.2173.9-82.400111.7V57 E61 T162 A163 T164V57-Q160 HydrophobicContact CG1-CB 3.91Å; E61-Q160 WeakPolarHBondContact OE1-CB 3.41Å; E61-Q160 PolarHBondContact OE1-N 3.3Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 3.36Å; Q160-A163 PolarHBondContact O-N 2.99Å; Q160-T164 PolarHBondContact O-N 2.77Å; Q160-T164 PolarHBondContact O-OG1 2.98Å
161I45.3Very low53.9Low9 Ų956.3 Ų56.35%0.04628%0.283CS..Hα-helixtrans-49.9-49.6160.5-85.5179.7000110.5Y27 V57 V58 E61 V157 A163 T164 L165Y27-I161 HydrophobicContact CD1-CG2 3.92Å; Y27-I161 HydrophobicContact CE1-CG2 4.16Å; V57-I161 HydrophobicContact CG1-CG1 4.37Å; V58-I161 HydrophobicContact CB-CD1 4.24Å; V58-I161 HydrophobicContact CG1-CD1 4.09Å; V58-I161 HydrophobicContact CG2-CD1 3.89Å; V58-I161 HydrophobicContact CG2-CG1 3.96Å; E61-I161 PolarHBondContact OE1-N 3.15Å; E61-I161 WeakPolarHBondContact OE2-CD1 3.36Å; E61-I161 WeakPolarHBondContact OE2-CG1 3.35Å; V157-I161 HydrophobicContact CG1-CD1 4.12Å; I161-A163 PolarHBondContact O-N 2.89Å; I161-T164 PolarHBondContact O-N 3.02Å; I161-T164 VanDerWaalsContact O-N 3.07Å; I161-L165 HydrophobicContact CG2-CD1 4Å; I161-L165 VanDerWaalsContact O-CD1 3.31Å; I161-L165 WeakPolarHBondContact O-CD1 3.29Å; I161-L165 PolarHBondContact O-N 3.21Å
162T42.9Very low51.7Low8 Ų859.3 Ų59.35%0.04930%0.299CS..Hα-helixtrans-60-46.3177.7-51.90000112.5Y27 S158 Q160 T164 A166 I172Y27-T162 PolarHBondContact OH-OG1 2.96Å; S158-T162 WeakPolarHBondContact O-CB 3.24Å; S158-T162 PolarHBondContact O-OG1 3.2Å; Q160-T162 VanDerWaalsContact C-N 3.26Å; Q160-T162 PolarHBondContact O-N 3.36Å; T162-T164 PolarHBondContact O-N 3.14Å; T162-A166 HydrophobicContact CG2-CB 4.37Å; T162-A166 WeakPolarHBondContact O-CA 3.38Å; T162-A166 WeakPolarHBondContact O-CB 3.4Å; T162-A166 PolarHBondContact O-N 2.87Å; T162-I172 HydrophobicContact CG2-CG1 4.3Å; T162-I172 HydrophobicContact CG2-CG2 4.36Å
163A43.7Very low49.8Very low55 Ų5560.8 Ų60.846%0.45531%0.314SS..Hα-helixtrans-63.1-22.217700000113.9A159 Q160 I161A159-A163 WeakPolarHBondContact O-CB 3.22Å; A159-A163 PolarHBondContact O-N 3.26Å; Q160-A163 PolarHBondContact O-N 2.99Å; I161-A163 PolarHBondContact O-N 2.89Å
164T43.9Very low48.8Very low53 Ų5362 Ų6233%0.32532%0.321SS..Hα-helixtrans-95.7-40.2-176.8-40.30000112.2D54 V57 Q160 I161 T162D54-T164 HydrophobicContact CB-CG2 4.39Å; V57-T164 HydrophobicContact CG2-CG2 4.39Å; Q160-T164 PolarHBondContact O-N 2.77Å; Q160-T164 PolarHBondContact O-OG1 2.98Å; I161-T164 PolarHBondContact O-N 3.02Å; I161-T164 VanDerWaalsContact O-N 3.07Å; T162-T164 PolarHBondContact O-N 3.14Å
165L41.2Very low48.8Very low66 Ų6660.6 Ų60.635%0.34631%0.314SS..Hα-helixtrans-79.5-32.4174.9-81.981.5000112.8E53 I161 K167E53-L165 VanDerWaalsContact OE1-CD2 3.25Å; E53-L165 WeakPolarHBondContact OE1-CD2 3.2Å; E53-L165 WeakPolarHBondContact OE1-CG 3.45Å; I161-L165 HydrophobicContact CG2-CD1 4Å; I161-L165 VanDerWaalsContact O-CD1 3.31Å; I161-L165 WeakPolarHBondContact O-CD1 3.29Å; I161-L165 PolarHBondContact O-N 3.21Å; L165-K167 PolarHBondContact O-N 2.92Å
166A43.3Very low49.6Very low25 Ų2561.3 Ų61.321%0.20732%0.316CS..THydrogen-bonded Turntrans-77.419.7-178.200000114.6T162 R168 S170T162-A166 HydrophobicContact CG2-CB 4.37Å; T162-A166 WeakPolarHBondContact O-CA 3.38Å; T162-A166 WeakPolarHBondContact O-CB 3.4Å; T162-A166 PolarHBondContact O-N 2.87Å; A166-R168 PolarHBondContact O-N 3.09Å; A166-S170 WeakPolarHBondContact CB-O 3.46Å
167K42.1Very low51.3Low191 Ų19161.7 Ų61.783%0.8332%0.316SS*.THydrogen-bonded Turntrans-55.1-6.4156.2-75.9-167.3172-167.70113L165L165-K167 PolarHBondContact O-N 2.92Å
168R40.1Very low53Low210 Ų21062.8 Ų62.879%0.79232%0.321SS*.THydrogen-bonded Turntrans-124.199.8168.9-58.6-178.4-169150.15.3111.3A166 S170A166-R168 PolarHBondContact O-N 3.09Å; R168-S170 PolarHBondContact O-N 2.91Å
169K35.9Very low54.6Low190 Ų19062.4 Ų62.483%0.82632%0.318SS*.THydrogen-bonded Turntrans5727.4151.8-58.1-170.8174.7-171.90120
170S39.4Very low56.5Low74 Ų7462.1 Ų62.152%0.51732%0.316SS..  trans-140.2140.2170.963.60000115.8A166 R168A166-S170 WeakPolarHBondContact CB-O 3.46Å; R168-S170 PolarHBondContact O-N 2.91Å
171F44.8Very low58.2Low91 Ų9159.2 Ų59.240%0.39930%0.302SS..  trans-73.4152.3-173.3-174.8-90.3000113.3P175 M178 M220 L223F171-P175 HydrophobicContact CE1-CB 4.29Å; F171-M178 HydrophobicContact CE1-CE 4.37Å; F171-M178 HydrophobicContact CE1-SD 3.87Å; F171-M178 HydrophobicContact CZ-CE 4.46Å; F171-M178 HydrophobicContact CZ-SD 4.43Å; F171-M220 HydrophobicContact CD2-SD 4Å; F171-M220 HydrophobicContact CE2-SD 4.18Å; F171-L223 HydrophobicContact CD1-CD1 4.34Å; F171-L223 HydrophobicContact CD2-CD1 4.46Å; F171-L223 HydrophobicContact CE1-CD1 3.57Å; F171-L223 HydrophobicContact CE1-CD2 4.49Å; F171-L223 HydrophobicContact CE2-CD1 3.71Å; F171-L223 HydrophobicContact CZ-CD1 3.21Å; F171-L223 HydrophobicContact CZ-CD2 4.26Å; F171-L223 HydrophobicContact CZ-CG 4.37Å
172I49Very low59.6Low84 Ų8459.9 Ų59.943%0.43131%0.306SS..SBendtrans-86.6116.2-173-56174.1000112.2T162T162-I172 HydrophobicContact CG2-CG1 4.3Å; T162-I172 HydrophobicContact CG2-CG2 4.36Å
173G55Low60.7Low31 Ų3160.3 Ų60.332%0.3231%0.31SS..SBendtrans86.8-176.4171.300000114.4P175G173-P175 VanDerWaalsContact O-CD 3.3Å; G173-P175 WeakPolarHBondContact O-CD 3.28Å
174T67.5Low61.6Low34 Ų3459 Ų5921%0.20930%0.299CS..  trans-98.699.7-180-35.20000110.3D136 K138 Y176 W177D136-T174 PolarHBondContact OD1-OG1 2.81Å; K138-T174 HydrophobicContact CD-CG2 4.32Å; K138-T174 PolarHBondContact NZ-OG1 3.11Å; T174-Y176 VanDerWaalsContact C-N 3.33Å; T174-Y176 PolarHBondContact O-N 3.44Å; T174-Y176 VanDerWaalsContact O-N 3.14Å; T174-W177 HydrophobicContact CG2-CD2 4.49Å; T174-W177 HydrophobicContact CG2-CE3 3.39Å; T174-W177 HydrophobicContact CG2-CH2 4.35Å; T174-W177 HydrophobicContact CG2-CZ3 3.3Å; T174-W177 PolarHBondContact O-N 2.85Å; T174-W177 VanDerWaalsContact O-N 3.08Å
175P76.6Confident62.4Low12 Ų1258.8 Ų58.88%0.07830%0.298CS..G310 helixtrans-65.9-29.3-155.514.3-23.2000115.5F171 G173 W177 M178 P219 L223F171-P175 HydrophobicContact CE1-CB 4.29Å; G173-P175 VanDerWaalsContact O-CD 3.3Å; G173-P175 WeakPolarHBondContact O-CD 3.28Å; P175-W177 PolarHBondContact O-N 3.35Å; P175-M178 HydrophobicContact CB-SD 4.22Å; P175-M178 PolarHBondContact O-N 2.81Å; P175-P219 HydrophobicContact CG-CB 3.65Å; P175-P219 HydrophobicContact CG-CG 4.22Å; P175-L223 HydrophobicContact CB-CD1 3.9Å; P175-L223 HydrophobicContact CB-CD2 3.88Å; P175-L223 HydrophobicContact CB-CG 3.81Å
176Y86.5Confident62.5Low27 Ų2762.5 Ų62.511%0.10631%0.314CS..G310 helixtrans-66.7-21.6178.6-47.1-78.8000114T174 P212 M214 F215 L217 P219 A222T174-Y176 VanDerWaalsContact C-N 3.33Å; T174-Y176 PolarHBondContact O-N 3.44Å; T174-Y176 VanDerWaalsContact O-N 3.14Å; Y176-P212 HydrophobicContact CG-CG 4.2Å; Y176-M214 WeakPolarHBondContact CD1-O 3.28Å; Y176-M214 WeakPolarHBondContact CE1-O 3.25Å; Y176-F215 AromaticContact CD2-CD2 3.75Å; Y176-F215 HydrophobicContact CD2-CD2 3.75Å; Y176-F215 HydrophobicContact CD2-CE2 4.11Å; Y176-F215 AromaticContact CE2-CD2 3.78Å; Y176-F215 HydrophobicContact CE2-CD2 3.78Å; Y176-F215 AromaticContact CE2-CE2 3.99Å; Y176-F215 HydrophobicContact CE2-CE2 3.99Å; Y176-F215 HydrophobicContact CG-CD2 4.12Å; Y176-L217 VanDerWaalsContact CE1-O 3.31Å; Y176-L217 WeakPolarHBondContact CE1-O 3.48Å; Y176-L217 PolarHBondContact OH-O 2.88Å; Y176-P219 HydrophobicContact CE2-CG 4.49Å; Y176-P219 VanDerWaalsContact OH-CD 3.3Å; Y176-P219 WeakPolarHBondContact OH-CD 3.3Å; Y176-A222 HydrophobicContact CD1-CB 4.11Å; Y176-A222 HydrophobicContact CE1-CB 4.12Å
177W90.1Very high62.3Low14 Ų1467.4 Ų67.45%0.05333%0.327CS..G310 helixtrans-98.4-10.9177.6-68.8-106.2000113.5I137 K138 T174 P175 I202 E206 P212I137-W177 VanDerWaalsContact O-CD1 3.31Å; K138-W177 HydrophobicContact CB-CD2 4.03Å; K138-W177 HydrophobicContact CB-CG 4.06Å; K138-W177 HydrophobicContact CB-CZ2 4.16Å; T174-W177 HydrophobicContact CG2-CD2 4.49Å; T174-W177 HydrophobicContact CG2-CE3 3.39Å; T174-W177 HydrophobicContact CG2-CH2 4.35Å; T174-W177 HydrophobicContact CG2-CZ3 3.3Å; T174-W177 PolarHBondContact O-N 2.85Å; T174-W177 VanDerWaalsContact O-N 3.08Å; P175-W177 PolarHBondContact O-N 3.35Å; W177-I202 HydrophobicContact CB-CG2 4.36Å; W177-I202 HydrophobicContact CD2-CG2 4.35Å; W177-I202 HydrophobicContact CG-CB 4.39Å; W177-I202 HydrophobicContact CG-CG2 3.81Å; W177-E206 VanDerWaalsContact CZ2-CD 3.49Å; W177-E206 HydrophobicContact CZ2-CG 4.13Å; W177-E206 PolarHBondContact NE1-OE2 2.97Å; W177-P212 HydrophobicContact CD2-CB 4.26Å; W177-P212 HydrophobicContact CD2-CG 4.41Å; W177-P212 HydrophobicContact CE3-CB 4.49Å; W177-P212 HydrophobicContact CE3-CG 4.21Å; W177-P212 HydrophobicContact CH2-CB 4.25Å; W177-P212 HydrophobicContact CH2-CG 3.49Å; W177-P212 VanDerWaalsContact CH2-CG 3.49Å; W177-P212 HydrophobicContact CZ2-CB 3.99Å; W177-P212 HydrophobicContact CZ2-CG 3.69Å; W177-P212 HydrophobicContact CZ3-CB 4.47Å; W177-P212 HydrophobicContact CZ3-CG 3.75Å
178M86.9Confident62.2Low29 Ų2967.2 Ų67.214%0.14333%0.326CS..SBendtrans-63.3153.3-179.5-67.917572.800111.1F171 P175 V182 W198 L223 M226F171-M178 HydrophobicContact CE1-CE 4.37Å; F171-M178 HydrophobicContact CE1-SD 3.87Å; F171-M178 HydrophobicContact CZ-CE 4.46Å; F171-M178 HydrophobicContact CZ-SD 4.43Å; P175-M178 HydrophobicContact CB-SD 4.22Å; P175-M178 PolarHBondContact O-N 2.81Å; M178-V182 HydrophobicContact CE-CB 4.21Å; M178-V182 HydrophobicContact CE-CG1 3.51Å; M178-W198 VanDerWaalsContact O-CD1 3.25Å; M178-W198 PolarHBondContact O-NE1 2.8Å; M178-L223 HydrophobicContact CE-CD2 4.44Å; M178-L223 HydrophobicContact SD-CD2 3.95Å; M178-M226 WeakPolarHBondContact O-CE 3.43Å
179A84.5Confident62.1Low1 Ų160.1 Ų60.11%0.00832%0.318CS..  trans-87.4152.3174.900000111.3E181 V182 A183 C195 W198A179-E181 VanDerWaalsContact CB-OE1 3.29Å; A179-E181 WeakPolarHBondContact CB-OE1 3.32Å; A179-E181 WeakPolarHBondContact CB-OE2 3.07Å; A179-E181 PolarHBondContact O-N 3.07Å; A179-E181 VanDerWaalsContact O-N 3.14Å; A179-V182 HydrophobicContact CB-CG2 4.01Å; A179-V182 WeakPolarHBondContact O-CA 3.34Å; A179-V182 WeakPolarHBondContact O-CB 3.46Å; A179-V182 PolarHBondContact O-N 2.97Å; A179-A183 PolarHBondContact O-N 3.32Å; A179-A183 VanDerWaalsContact O-N 3.12Å; A179-C195 HydrophobicContact CB-CB 4.31Å; A179-W198 HydrophobicContact CB-CB 3.65Å; A179-W198 HydrophobicContact CB-CD2 4.13Å; A179-W198 HydrophobicContact CB-CG 3.58Å
180P84Confident63.1Low8 Ų854.3 Ų54.35%0.05231%0.313CS..THydrogen-bonded Turntrans-58.6-30.9-176.5-25.634.8000114A184 W198 M226 F231 K256P180-A184 WeakPolarHBondContact O-CB 3.38Å; P180-A184 PolarHBondContact O-N 2.81Å; P180-W198 HydrophobicContact CG-CE3 4.35Å; P180-W198 HydrophobicContact CG-CH2 3.56Å; P180-W198 HydrophobicContact CG-CZ2 3.77Å; P180-W198 HydrophobicContact CG-CZ3 3.86Å; P180-M226 HydrophobicContact CB-CE 4.45Å; P180-M226 HydrophobicContact CG-CE 3.97Å; P180-F231 HydrophobicContact CG-CD1 4.39Å; P180-F231 HydrophobicContact CG-CE1 3.92Å; P180-K256 HydrophobicContact CB-CG 4.35Å; P180-K256 HydrophobicContact CG-CG 4.27Å
181E80.6Confident64.4Low31 Ų3154.1 Ų54.115%0.14530%0.301CS..THydrogen-bonded Turntrans-73.4-24.817471.2-80.2-174.100113.8A179 A184 V185 P258 R261A179-E181 VanDerWaalsContact CB-OE1 3.29Å; A179-E181 WeakPolarHBondContact CB-OE1 3.32Å; A179-E181 WeakPolarHBondContact CB-OE2 3.07Å; A179-E181 PolarHBondContact O-N 3.07Å; A179-E181 VanDerWaalsContact O-N 3.14Å; E181-A184 PolarHBondContact O-N 2.95Å; E181-V185 WeakPolarHBondContact O-CG2 3.39Å; E181-P258 HydrophobicContact CB-CG 4.2Å; E181-P258 HydrophobicContact CG-CB 4.27Å; E181-P258 HydrophobicContact CG-CG 3.99Å; E181-R261 IonicContact OE1-CZ 2.72Å; E181-R261 IonicContact OE1-NH1 3.78Å; E181-R261 PolarHBondContact OE1-NH1 3.15Å; E181-R261 IonicContact OE1-NH2 2.66Å; E181-R261 PolarHBondContact OE1-NH2 3.17Å; E181-R261 IonicContact OE2-CZ 3.26Å; E181-R261 IonicContact OE2-NH1 3.39Å; E181-R261 IonicContact OE2-NH2 3.69Å; E181-R261 PolarHBondContact OE2-NH2 3.02Å
182V74.7Confident66.1Low24 Ų2452.9 Ų52.915%0.14530%0.299CS..THydrogen-bonded Turntrans-76.9-37.6175.1-169.90000110M178 A179 A184 V185 Y191 C195M178-V182 HydrophobicContact CE-CB 4.21Å; M178-V182 HydrophobicContact CE-CG1 3.51Å; A179-V182 HydrophobicContact CB-CG2 4.01Å; A179-V182 WeakPolarHBondContact O-CA 3.34Å; A179-V182 WeakPolarHBondContact O-CB 3.46Å; A179-V182 PolarHBondContact O-N 2.97Å; V182-A184 PolarHBondContact O-N 2.86Å; V182-V185 VanDerWaalsContact O-CG2 3.22Å; V182-V185 WeakPolarHBondContact O-CG2 3.38Å; V182-Y191 HydrophobicContact CG1-CD1 4.13Å; V182-Y191 HydrophobicContact CG1-CE1 4.08Å; V182-Y191 HydrophobicContact CG1-CG 4.39Å; V182-Y191 HydrophobicContact CG2-CD1 4.33Å; V182-Y191 HydrophobicContact CG2-CD2 3.9Å; V182-Y191 HydrophobicContact CG2-CE2 4.48Å; V182-Y191 HydrophobicContact CG2-CG 3.81Å; V182-C195 HydrophobicContact CG2-CB 3.67Å
183A65.1Low67.7Low16 Ų1652.3 Ų52.313%0.13229%0.294CS..THydrogen-bonded Turntrans-67.6-10.2172.100000113.9A179 L223 T227A179-A183 PolarHBondContact O-N 3.32Å; A179-A183 VanDerWaalsContact O-N 3.12Å; A183-L223 HydrophobicContact CB-CD2 3.82Å; A183-T227 HydrophobicContact CB-CG2 4.22Å; A183-T227 WeakPolarHBondContact O-CG2 3.17Å
184A62.6Low69.5Low27 Ų2751.6 Ų51.622%0.22328%0.283CS..THydrogen-bonded Turntrans-115.912.5-175.100000114.2P180 E181 V182 E186 R187 T227P180-A184 WeakPolarHBondContact O-CB 3.38Å; P180-A184 PolarHBondContact O-N 2.81Å; E181-A184 PolarHBondContact O-N 2.95Å; V182-A184 PolarHBondContact O-N 2.86Å; A184-E186 PolarHBondContact O-N 3.34Å; A184-R187 PolarHBondContact O-N 2.82Å; A184-T227 HydrophobicContact CB-CG2 4.36Å
185V59.6Low70.5Confident50 Ų5050.4 Ų50.430%0.30328%0.275SS..Hα-helixtrans-61.2-39.6-167.1170.90000113.4E181 V182 R187 K188 G189 Y191E181-V185 WeakPolarHBondContact O-CG2 3.39Å; V182-V185 VanDerWaalsContact O-CG2 3.22Å; V182-V185 WeakPolarHBondContact O-CG2 3.38Å; V185-R187 PolarHBondContact O-N 3.19Å; V185-K188 PolarHBondContact O-N 2.89Å; V185-G189 PolarHBondContact O-N 3.34Å; V185-G189 VanDerWaalsContact O-N 3.12Å; V185-Y191 HydrophobicContact CG2-CD1 3.64Å; V185-Y191 HydrophobicContact CG2-CE1 4.31Å
186E43.9Very low71.3Confident144 Ų14449.9 Ų49.967%0.67327%0.272SS*.Hα-helixtrans-57.9-21179.8-73.3-179.9152.400113.9A184A184-E186 PolarHBondContact O-N 3.34Å
187R39.1Very low71.8Confident128 Ų12848.6 Ų48.648%0.48327%0.267SS..Hα-helixtrans-95.8-20.7179.5-68.9-168.6-178.7101.835.9115.9A184 V185 H546A184-R187 PolarHBondContact O-N 2.82Å; V185-R187 PolarHBondContact O-N 3.19Å; R187-H546 PolarHBondContact NH1-CD2 2.72Å; R187-H546 PolarHBondContact NH1-NE2 3.05Å; R187-H546 PolarHBondContact NH2-CD2 3.07Å; R187-H546 PolarHBondContact NH2-CE1 2.94Å; R187-H546 PolarHBondContact NH2-ND1 3.45Å; R187-H546 PolarHBondContact NH2-NE2 3.23Å
188K40.4Very low72.1Confident187 Ų18748 Ų4881%0.81327%0.265SS*.Hα-helixtrans-139.6-11.1-161.4-70.1-173.2178.7173.90116.4V185V185-K188 PolarHBondContact O-N 2.89Å
189G38.2Very low72.6Confident61 Ų6146.9 Ų46.963%0.62926%0.261SS*.  trans72.4116.9175.200000114.4V185V185-G189 PolarHBondContact O-N 3.34Å; V185-G189 VanDerWaalsContact O-N 3.12Å
190G57.3Low73.2Confident68 Ų6847 Ų4770%0.70126%0.261SS*.  trans75.7121.1165.100000116.6
191Y66.9Low73.9Confident69 Ų6946.6 Ų46.627%0.27126%0.259SS..  trans-103.8160.5159.662.6-84.6000109.8M133 R135 V182 V185 C195M133-Y191 HydrophobicContact SD-CD2 4.41Å; M133-Y191 HydrophobicContact SD-CE2 4.33Å; R135-Y191 WeakPolarHBondContact CD-OH 3.36Å; R135-Y191 HydrophobicContact CG-CE2 4.26Å; R135-Y191 PolarHBondContact NE-OH 2.87Å; R135-Y191 VanDerWaalsContact NE-OH 3.08Å; V182-Y191 HydrophobicContact CG1-CD1 4.13Å; V182-Y191 HydrophobicContact CG1-CE1 4.08Å; V182-Y191 HydrophobicContact CG1-CG 4.39Å; V182-Y191 HydrophobicContact CG2-CD1 4.33Å; V182-Y191 HydrophobicContact CG2-CD2 3.9Å; V182-Y191 HydrophobicContact CG2-CE2 4.48Å; V182-Y191 HydrophobicContact CG2-CG 3.81Å; V185-Y191 HydrophobicContact CG2-CD1 3.64Å; V185-Y191 HydrophobicContact CG2-CE1 4.31Å; Y191-C195 HydrophobicContact CD2-CB 4.11Å
192N79.4Confident74.7Confident66 Ų6645.3 Ų45.335%0.35325%0.252SS..  trans-120.8-178.5-179.972.82.5000111.3L194 C195N192-L194 PolarHBondContact O-N 2.99Å; N192-L194 VanDerWaalsContact OD1-CB 3.29Å; N192-L194 WeakPolarHBondContact OD1-CB 3.35Å; N192-L194 WeakPolarHBondContact OD1-CG 3.14Å; N192-L194 PolarHBondContact OD1-N 2.7Å; N192-C195 PolarHBondContact O-N 3.24Å; N192-C195 PolarHBondContact O-SG 3.42Å
193Q83.8Confident75.8Confident72 Ų7244.4 Ų44.434%0.33625%0.247SC..THydrogen-bonded Turntrans-61.2-10.2-174.471.1-93.736.600115.3H128 M133 C195 D196H128-Q193 HydrophobicContact CB-CG 4.08Å; H128-Q193 PolarHBondContact CE1-O 3.45Å; H128-Q193 PolarHBondContact NE2-O 3.34Å; M133-Q193 HydrophobicContact CG-CB 3.64Å; M133-Q193 HydrophobicContact SD-CB 4.21Å; M133-Q193 PolarHBondContact SD-N 3.16Å; M133-Q193 VanDerWaalsContact SD-N 3.41Å; Q193-C195 PolarHBondContact O-N 3.32Å; Q193-D196 PolarHBondContact O-N 2.88Å
194L91.4Very high77.4Confident16 Ų1643.7 Ų43.78%0.08424%0.241CC..Hα-helixtrans-71-11.4174.7-53.8178.2000112.5N192 D196 I197 W198 P258 R261 T263N192-L194 PolarHBondContact O-N 2.99Å; N192-L194 VanDerWaalsContact OD1-CB 3.29Å; N192-L194 WeakPolarHBondContact OD1-CB 3.35Å; N192-L194 WeakPolarHBondContact OD1-CG 3.14Å; N192-L194 PolarHBondContact OD1-N 2.7Å; L194-D196 PolarHBondContact O-N 3.22Å; L194-I197 HydrophobicContact CD2-CG1 4.3Å; L194-I197 WeakPolarHBondContact O-CB 3.48Å; L194-I197 PolarHBondContact O-N 2.89Å; L194-W198 PolarHBondContact O-N 3.24Å; L194-P258 WeakPolarHBondContact CD1-O 3.32Å; L194-R261 WeakPolarHBondContact O-CD 3.32Å; L194-R261 PolarHBondContact O-NH1 2.9Å; L194-T263 HydrophobicContact CD2-CG2 4.04Å
195C89.6Confident79.1Confident8 Ų842.5 Ų42.55%0.05423%0.231CC..Hα-helixtrans-57.9-38.816863.90000111.8A179 V182 Y191 N192 Q193 I197 W198 A199A179-C195 HydrophobicContact CB-CB 4.31Å; V182-C195 HydrophobicContact CG2-CB 3.67Å; Y191-C195 HydrophobicContact CD2-CB 4.11Å; N192-C195 PolarHBondContact O-N 3.24Å; N192-C195 PolarHBondContact O-SG 3.42Å; Q193-C195 PolarHBondContact O-N 3.32Å; C195-I197 PolarHBondContact O-N 3.38Å; C195-W198 WeakPolarHBondContact O-CB 3.44Å; C195-W198 PolarHBondContact O-N 3.04Å; C195-A199 PolarHBondContact O-N 2.76Å; C195-A199 VanDerWaalsContact O-N 3.08Å
196D92.6Very high80.9Confident1 Ų140.1 Ų40.11%0.00522%0.217CC..Hα-helixtrans-64.2-32.4178.7-60.5-24.1000111.1L124 H128 H134 R135 I137 Q193 L194 A199 V200L124-D196 HydrophobicContact CD1-CB 3.93Å; L124-D196 HydrophobicContact CD2-CB 3.72Å; L124-D196 HydrophobicContact CG-CB 4.46Å; H128-D196 IonicContact CD2-OD2 2.75Å; H128-D196 IonicContact CE1-OD2 3.7Å; H128-D196 IonicContact NE2-OD2 2.79Å; H128-D196 PolarHBondContact NE2-OD2 3.18Å; H134-D196 PolarHBondContact N-OD1 3.18Å; H134-D196 PolarHBondContact N-OD2 2.73Å; R135-D196 PolarHBondContact N-OD1 3.06Å; I137-D196 HydrophobicContact CG1-CB 4.42Å; Q193-D196 PolarHBondContact O-N 2.88Å; L194-D196 PolarHBondContact O-N 3.22Å; D196-A199 PolarHBondContact O-N 3.27Å; D196-V200 WeakPolarHBondContact O-CG2 3.48Å; D196-V200 PolarHBondContact O-N 2.79Å
197I97.6Very high83.5Confident0 Ų033.4 Ų33.40%019%0.185CC..Hα-helixtrans-70.5-34.1178-53-58.8000111.9L121 L194 C195 G201 R261 A264 L267L121-I197 HydrophobicContact CD2-CD1 3.82Å; L194-I197 HydrophobicContact CD2-CG1 4.3Å; L194-I197 WeakPolarHBondContact O-CB 3.48Å; L194-I197 PolarHBondContact O-N 2.89Å; C195-I197 PolarHBondContact O-N 3.38Å; I197-G201 PolarHBondContact O-N 2.83Å; I197-R261 HydrophobicContact CB-CG 4.42Å; I197-R261 HydrophobicContact CG2-CG 4.12Å; I197-A264 HydrophobicContact CD1-CB 3.86Å; I197-L267 HydrophobicContact CG2-CD2 3.76Å
198W96.6Very high86.3Confident1 Ų127.5 Ų27.50%0.00416%0.164CC..Hα-helixtrans-66.2-45.6170.7175.3-79.2000110.6M178 A179 P180 L194 C195 V200 G201 I202 M226 F231 P233 L254M178-W198 VanDerWaalsContact O-CD1 3.25Å; M178-W198 PolarHBondContact O-NE1 2.8Å; A179-W198 HydrophobicContact CB-CB 3.65Å; A179-W198 HydrophobicContact CB-CD2 4.13Å; A179-W198 HydrophobicContact CB-CG 3.58Å; P180-W198 HydrophobicContact CG-CE3 4.35Å; P180-W198 HydrophobicContact CG-CH2 3.56Å; P180-W198 HydrophobicContact CG-CZ2 3.77Å; P180-W198 HydrophobicContact CG-CZ3 3.86Å; L194-W198 PolarHBondContact O-N 3.24Å; C195-W198 WeakPolarHBondContact O-CB 3.44Å; C195-W198 PolarHBondContact O-N 3.04Å; W198-V200 VanDerWaalsContact C-N 3.3Å; W198-V200 PolarHBondContact O-N 2.88Å; W198-G201 CarbonylContact O-C 3.56Å; W198-G201 WeakPolarHBondContact O-CA 3.4Å; W198-G201 PolarHBondContact O-N 2.93Å; W198-I202 HydrophobicContact CZ2-CD1 4.49Å; W198-I202 PolarHBondContact O-N 2.99Å; W198-M226 HydrophobicContact CZ2-CE 4.37Å; W198-F231 AromaticContact CH2-CE1 3.99Å; W198-F231 HydrophobicContact CH2-CE1 3.99Å; W198-F231 HydrophobicContact CZ2-CE1 4.28Å; W198-F231 HydrophobicContact CZ2-CZ 4.49Å; W198-P233 HydrophobicContact CH2-CB 4.03Å; W198-P233 HydrophobicContact CH2-CG 4.34Å; W198-P233 HydrophobicContact CZ3-CB 4.37Å; W198-P233 HydrophobicContact CZ3-CG 4.47Å; W198-L254 HydrophobicContact CD2-CD2 3.65Å; W198-L254 HydrophobicContact CE3-CB 4.22Å; W198-L254 HydrophobicContact CE3-CD2 4.01Å; W198-L254 HydrophobicContact CG-CD2 3.98Å; W198-L254 HydrophobicContact CH2-CB 4.28Å; W198-L254 HydrophobicContact CH2-CD2 4.43Å; W198-L254 HydrophobicContact CZ2-CD2 4.13Å; W198-L254 VanDerWaalsContact CZ3-C 3.44Å; W198-L254 HydrophobicContact CZ3-CB 4.01Å; W198-L254 HydrophobicContact CZ3-CD2 4.39Å; W198-L254 VanDerWaalsContact CZ3-O 3.22Å; W198-L254 WeakPolarHBondContact CZ3-O 3.34Å; W198-L254 WeakPolarHBondContact O-CD2 3.5Å
199A95.6Very high89Confident7 Ų720.1 Ų20.16%0.05813%0.132CC..Hα-helixtrans-62.2-34.4178.700000112.5I137 C195 D196 G201 I202 T203I137-A199 HydrophobicContact CB-CB 3.8Å; I137-A199 HydrophobicContact CG2-CB 4.33Å; C195-A199 PolarHBondContact O-N 2.76Å; C195-A199 VanDerWaalsContact O-N 3.08Å; D196-A199 PolarHBondContact O-N 3.27Å; A199-G201 VanDerWaalsContact C-N 3.34Å; A199-G201 PolarHBondContact O-N 3.45Å; A199-I202 PolarHBondContact O-N 3.21Å; A199-T203 WeakPolarHBondContact O-CB 3.34Å; A199-T203 PolarHBondContact O-N 3.47Å; A199-T203 PolarHBondContact O-OG1 2.78Å
200V98.2Very high91.7Very high3 Ų319.9 Ų19.92%0.01812%0.116CC..Hα-helixtrans-59.3-42.6166.7169.50000111.8T120 L121 L124 I137 D196 W198 I202 T203 A204 F249T120-V200 HydrophobicContact CG2-CG2 3.75Å; L121-V200 HydrophobicContact CD2-CG1 4.33Å; L121-V200 HydrophobicContact CD2-CG2 4.31Å; L121-V200 HydrophobicContact CG-CG1 4.39Å; L124-V200 HydrophobicContact CD1-CG2 3.49Å; L124-V200 VanDerWaalsContact CD1-CG2 3.49Å; I137-V200 HydrophobicContact CG2-CG2 3.98Å; D196-V200 WeakPolarHBondContact O-CG2 3.48Å; D196-V200 PolarHBondContact O-N 2.79Å; W198-V200 VanDerWaalsContact C-N 3.3Å; W198-V200 PolarHBondContact O-N 2.88Å; V200-I202 PolarHBondContact O-N 3.3Å; V200-T203 PolarHBondContact O-N 2.95Å; V200-A204 WeakPolarHBondContact O-CB 3.43Å; V200-A204 PolarHBondContact O-N 2.95Å; V200-F249 HydrophobicContact CG1-CE1 4.41Å; V200-F249 HydrophobicContact CG1-CZ 4.11Å
201G98.1Very high93.4Very high0 Ų020.4 Ų20.40%010%0.101CC..Hα-helixtrans-63.1-38.2176.200000113.5I197 W198 A199 I205I197-G201 PolarHBondContact O-N 2.83Å; W198-G201 CarbonylContact O-C 3.56Å; W198-G201 WeakPolarHBondContact O-CA 3.4Å; W198-G201 PolarHBondContact O-N 2.93Å; A199-G201 VanDerWaalsContact C-N 3.34Å; A199-G201 PolarHBondContact O-N 3.45Å; G201-I205 PolarHBondContact O-N 2.84Å
202I98.2Very high94.8Very high3 Ų317.3 Ų17.32%0.0159%0.089CC..Hα-helixtrans-70.4-43.9173.8-60-61.1000110.7W177 W198 A199 V200 A204 I205 E206 P212 P213 P234 L254W177-I202 HydrophobicContact CB-CG2 4.36Å; W177-I202 HydrophobicContact CD2-CG2 4.35Å; W177-I202 HydrophobicContact CG-CB 4.39Å; W177-I202 HydrophobicContact CG-CG2 3.81Å; W198-I202 HydrophobicContact CZ2-CD1 4.49Å; W198-I202 PolarHBondContact O-N 2.99Å; A199-I202 PolarHBondContact O-N 3.21Å; V200-I202 PolarHBondContact O-N 3.3Å; I202-A204 VanDerWaalsContact C-N 3.26Å; I202-A204 PolarHBondContact O-N 3.4Å; I202-I205 CarbonylContact O-C 3.5Å; I202-I205 WeakPolarHBondContact O-CA 3.24Å; I202-I205 WeakPolarHBondContact O-CB 3.26Å; I202-I205 PolarHBondContact O-N 2.81Å; I202-E206 PolarHBondContact O-N 2.94Å; I202-P212 HydrophobicContact CG2-CB 3.67Å; I202-P213 HydrophobicContact CD1-CG 4.16Å; I202-P234 HydrophobicContact CD1-CG 4.23Å; I202-L254 HydrophobicContact CD1-CD1 4.11Å; I202-L254 HydrophobicContact CD1-CD2 3.65Å; I202-L254 HydrophobicContact CG1-CD2 3.86Å
203T98.1Very high95.4Very high6 Ų614.9 Ų14.94%0.0378%0.077CC..Hα-helixtrans-60.4-36.8177.1-54.30000111.3I137 K138 I142 A199 V200 I205 E206 L207I137-T203 PolarHBondContact O-OG1 3.39Å; K138-T203 WeakPolarHBondContact CA-OG1 3.38Å; I142-T203 HydrophobicContact CD1-CG2 3.79Å; A199-T203 WeakPolarHBondContact O-CB 3.34Å; A199-T203 PolarHBondContact O-N 3.47Å; A199-T203 PolarHBondContact O-OG1 2.78Å; V200-T203 PolarHBondContact O-N 2.95Å; T203-I205 VanDerWaalsContact C-N 3.28Å; T203-I205 PolarHBondContact O-N 2.95Å; T203-E206 WeakPolarHBondContact O-CB 3.33Å; T203-E206 PolarHBondContact O-N 2.88Å; T203-L207 HydrophobicContact CG2-CD1 4.37Å; T203-L207 HydrophobicContact CG2-CG 4.36Å; T203-L207 VanDerWaalsContact O-CG 3.3Å; T203-L207 WeakPolarHBondContact O-CG 3.35Å; T203-L207 PolarHBondContact O-N 2.82Å
204A98.4Very high95.7Very high1 Ų113.5 Ų13.51%0.0087%0.071CC..Hα-helixtrans-66.1-29.3175.100000112.8I113 V200 I202 A208 F246 F249 V250I113-A204 HydrophobicContact CG2-CB 4.12Å; V200-A204 WeakPolarHBondContact O-CB 3.43Å; V200-A204 PolarHBondContact O-N 2.95Å; I202-A204 VanDerWaalsContact C-N 3.26Å; I202-A204 PolarHBondContact O-N 3.4Å; A204-A208 WeakPolarHBondContact O-CB 3.12Å; A204-A208 PolarHBondContact O-N 2.6Å; A204-F246 HydrophobicContact CB-CE2 4.06Å; A204-F249 HydrophobicContact CB-CE1 4.25Å; A204-V250 HydrophobicContact CB-CG2 4.39Å
205I98.3Very high95.5Very high1 Ų117.5 Ų17.51%0.0059%0.088CC..Hα-helixtrans-75.5-42.9169.9-61171.9000110.6G201 I202 T203 L207 A208 E209 P213 P234 L236 V250 L254G201-I205 PolarHBondContact O-N 2.84Å; I202-I205 CarbonylContact O-C 3.5Å; I202-I205 WeakPolarHBondContact O-CA 3.24Å; I202-I205 WeakPolarHBondContact O-CB 3.26Å; I202-I205 PolarHBondContact O-N 2.81Å; T203-I205 VanDerWaalsContact C-N 3.28Å; T203-I205 PolarHBondContact O-N 2.95Å; I205-L207 PolarHBondContact O-N 2.91Å; I205-A208 CarbonylContact O-C 2.91Å; I205-A208 WeakPolarHBondContact O-CA 3.21Å; I205-A208 WeakPolarHBondContact O-CB 3.31Å; I205-A208 PolarHBondContact O-N 3.08Å; I205-E209 HydrophobicContact CG2-CB 4.4Å; I205-E209 HydrophobicContact CG2-CG 4.11Å; I205-E209 WeakPolarHBondContact O-CB 3.41Å; I205-E209 PolarHBondContact O-N 3.2Å; I205-P213 HydrophobicContact CD1-CG 3.9Å; I205-P213 HydrophobicContact CG2-CG 4.11Å; I205-P234 HydrophobicContact CD1-CB 4.03Å; I205-L236 HydrophobicContact CB-CD2 4.42Å; I205-L236 HydrophobicContact CG1-CD2 4.02Å; I205-L236 HydrophobicContact CG1-CG 4.44Å; I205-L236 HydrophobicContact CG2-CD2 4.4Å; I205-V250 HydrophobicContact CD1-CG1 3.88Å; I205-V250 HydrophobicContact CG1-CG1 4.02Å; I205-L254 HydrophobicContact CD1-CD1 3.76Å
206E98.1Very high95.3Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-52.9-48.8174.9176-165.8-177.800111.6Y102 G139 W177 I202 T203 A208 E209 L210Y102-E206 HydrophobicContact CE1-CG 3.84Å; Y102-E206 PolarHBondContact OH-OE1 3.47Å; G139-E206 VanDerWaalsContact CA-OE1 3.28Å; G139-E206 WeakPolarHBondContact CA-OE1 3.27Å; G139-E206 VanDerWaalsContact N-CD 3.3Å; G139-E206 PolarHBondContact N-OE1 3.3Å; G139-E206 PolarHBondContact N-OE2 2.62Å; W177-E206 VanDerWaalsContact CZ2-CD 3.49Å; W177-E206 HydrophobicContact CZ2-CG 4.13Å; W177-E206 PolarHBondContact NE1-OE2 2.97Å; I202-E206 PolarHBondContact O-N 2.94Å; T203-E206 WeakPolarHBondContact O-CB 3.33Å; T203-E206 PolarHBondContact O-N 2.88Å; E206-A208 VanDerWaalsContact C-N 3.25Å; E206-A208 PolarHBondContact O-N 2.92Å; E206-E209 PolarHBondContact O-N 3.36Å; E206-L210 CarbonylContact O-C 3.54Å; E206-L210 WeakPolarHBondContact O-CA 3.34Å; E206-L210 PolarHBondContact O-N 2.7Å
207L97.8Very high95Very high3 Ų326.3 Ų26.32%0.01613%0.134CC..Hα-helixtrans-67.5-23.8177.6-61.3177.3000113.5L98 Y102 L108 I113 M116 T203 I205L98-L207 HydrophobicContact CB-CD2 3.94Å; L98-L207 HydrophobicContact CD1-CD1 3.97Å; L98-L207 HydrophobicContact CD1-CD2 4.05Å; Y102-L207 HydrophobicContact CD1-CD2 3.68Å; Y102-L207 HydrophobicContact CE1-CD2 4.15Å; L108-L207 HydrophobicContact CD2-CB 4.34Å; L108-L207 HydrophobicContact CD2-CD1 4.24Å; L108-L207 HydrophobicContact CD2-CD2 4.22Å; L108-L207 HydrophobicContact CD2-CG 4.49Å; L108-L207 PolarHBondContact N-O 2.92Å; I113-L207 HydrophobicContact CD1-CB 4.15Å; I113-L207 HydrophobicContact CG1-CB 3.89Å; M116-L207 HydrophobicContact CB-CD1 4.19Å; T203-L207 HydrophobicContact CG2-CD1 4.37Å; T203-L207 HydrophobicContact CG2-CG 4.36Å; T203-L207 VanDerWaalsContact O-CG 3.3Å; T203-L207 WeakPolarHBondContact O-CG 3.35Å; T203-L207 PolarHBondContact O-N 2.82Å; I205-L207 PolarHBondContact O-N 2.91Å
208A97.5Very high94.2Very high4 Ų432.6 Ų32.63%0.03316%0.163CC..Hα-helixtrans-88.7-27.1179.400000113.8I113 A204 I205 E206 L236 W242 F246I113-A208 HydrophobicContact CD1-CB 3.76Å; A204-A208 WeakPolarHBondContact O-CB 3.12Å; A204-A208 PolarHBondContact O-N 2.6Å; I205-A208 CarbonylContact O-C 2.91Å; I205-A208 WeakPolarHBondContact O-CA 3.21Å; I205-A208 WeakPolarHBondContact O-CB 3.31Å; I205-A208 PolarHBondContact O-N 3.08Å; E206-A208 VanDerWaalsContact C-N 3.25Å; E206-A208 PolarHBondContact O-N 2.92Å; A208-L236 HydrophobicContact CB-CD2 3.69Å; A208-W242 HydrophobicContact CB-CH2 4.03Å; A208-W242 HydrophobicContact CB-CZ2 3.56Å; A208-F246 HydrophobicContact CB-CE1 4.2Å; A208-F246 HydrophobicContact CB-CZ 4.15Å
209E96.6Very high93.2Very high33 Ų3334.5 Ų34.515%0.15418%0.176CC..Hα-helixtrans-129.56.5-169.4-58.1-167.2-176.700114.2I205 E206 Q211 L236 K237I205-E209 HydrophobicContact CG2-CB 4.4Å; I205-E209 HydrophobicContact CG2-CG 4.11Å; I205-E209 WeakPolarHBondContact O-CB 3.41Å; I205-E209 PolarHBondContact O-N 3.2Å; E206-E209 PolarHBondContact O-N 3.36Å; E209-Q211 PolarHBondContact O-N 3.19Å; E209-Q211 VanDerWaalsContact O-N 3.12Å; E209-L236 WeakPolarHBondContact OE1-CA 3.21Å; E209-K237 PolarHBondContact OE1-N 2.84Å; E209-K237 WeakPolarHBondContact OE2-CD 3.4Å; E209-K237 VanDerWaalsContact OE2-CE 3.22Å; E209-K237 WeakPolarHBondContact OE2-CE 3.37Å; E209-K237 WeakPolarHBondContact OE2-CG 3.4Å; E209-K237 IonicContact OE2-NZ 3.52Å; E209-K237 PolarHBondContact OE2-NZ 3.33Å
210L95.1Very high92.2Very high56 Ų5636.6 Ų36.629%0.29319%0.185SC..SBendtrans66.9-7.5-178.7-55.7170.2000116.4Y102 P107 E206Y102-L210 HydrophobicContact CD2-CB 4.44Å; Y102-L210 HydrophobicContact CD2-CD2 3.53Å; Y102-L210 HydrophobicContact CE2-CB 4.39Å; Y102-L210 HydrophobicContact CE2-CD2 4.29Å; Y102-L210 VanDerWaalsContact CE2-O 3.24Å; Y102-L210 WeakPolarHBondContact CE2-O 3.33Å; Y102-L210 HydrophobicContact CG-CD2 4.16Å; Y102-L210 PolarHBondContact OH-O 3.01Å; P107-L210 HydrophobicContact CG-CD1 4.15Å; P107-L210 HydrophobicContact CG-CD2 4.16Å; P107-L210 HydrophobicContact CG-CG 3.98Å; E206-L210 CarbonylContact O-C 3.54Å; E206-L210 WeakPolarHBondContact O-CA 3.34Å; E206-L210 PolarHBondContact O-N 2.7Å
211Q94.1Very high91.5Very high79 Ų7941.5 Ų41.537%0.36920%0.203SC..SBendtrans-151.6153.3-178.658.6-178.2-1800110.2E209 F215E209-Q211 PolarHBondContact O-N 3.19Å; E209-Q211 VanDerWaalsContact O-N 3.12Å; Q211-F215 HydrophobicContact CB-CB 4.27Å; Q211-F215 HydrophobicContact CB-CD1 4.07Å; Q211-F215 HydrophobicContact CB-CG 4.3Å
212P95Very high90.8Very high3 Ų341.5 Ų41.52%0.01920%0.203CC..  trans-69.1165.5173.833.9-39.2000111.2Y176 W177 I202 F215Y176-P212 HydrophobicContact CG-CG 4.2Å; W177-P212 HydrophobicContact CD2-CB 4.26Å; W177-P212 HydrophobicContact CD2-CG 4.41Å; W177-P212 HydrophobicContact CE3-CB 4.49Å; W177-P212 HydrophobicContact CE3-CG 4.21Å; W177-P212 HydrophobicContact CH2-CB 4.25Å; W177-P212 HydrophobicContact CH2-CG 3.49Å; W177-P212 VanDerWaalsContact CH2-CG 3.49Å; W177-P212 HydrophobicContact CZ2-CB 3.99Å; W177-P212 HydrophobicContact CZ2-CG 3.69Å; W177-P212 HydrophobicContact CZ3-CB 4.47Å; W177-P212 HydrophobicContact CZ3-CG 3.75Å; I202-P212 HydrophobicContact CG2-CB 3.67Å; P212-F215 HydrophobicContact CG-CB 3.98Å; P212-F215 HydrophobicContact CG-CD2 3.66Å; P212-F215 HydrophobicContact CG-CE2 4.49Å; P212-F215 HydrophobicContact CG-CG 4.07Å; P212-F215 WeakPolarHBondContact O-CB 3.47Å
213P92.4Very high89.9Confident16 Ų1641.8 Ų41.810%0.10420%0.204CC..THydrogen-bonded Turntrans-59.3145.3168.8-20.433.4000111.9I202 I205 F215 P234I202-P213 HydrophobicContact CD1-CG 4.16Å; I205-P213 HydrophobicContact CD1-CG 3.9Å; I205-P213 HydrophobicContact CG2-CG 4.11Å; P213-F215 PolarHBondContact O-N 2.87Å; P213-P234 HydrophobicContact CB-CB 3.69Å; P213-P234 HydrophobicContact CB-CG 3.71Å; P213-P234 HydrophobicContact CG-CB 3.41Å; P213-P234 VanDerWaalsContact CG-CB 3.41Å; P213-P234 HydrophobicContact CG-CG 3.75Å
214M89.6Confident89.1Confident42 Ų4243.1 Ų43.121%0.20721%0.21CC..THydrogen-bonded Turntrans6317.4177.5-50.8179.5-70.400115.2Y176 D216 L217 A222 L225 M226 F231Y176-M214 WeakPolarHBondContact CD1-O 3.28Å; Y176-M214 WeakPolarHBondContact CE1-O 3.25Å; M214-D216 VanDerWaalsContact C-OD1 3.24Å; M214-D216 WeakPolarHBondContact CA-OD1 3.49Å; M214-D216 PolarHBondContact O-N 2.86Å; M214-L217 HydrophobicContact CB-CD1 4.04Å; M214-L217 HydrophobicContact CB-CG 4.27Å; M214-L217 HydrophobicContact CG-CD1 4.3Å; M214-L217 WeakPolarHBondContact O-CB 3.36Å; M214-L217 PolarHBondContact O-N 2.94Å; M214-L217 HydrophobicContact SD-CD1 4.49Å; M214-A222 HydrophobicContact CB-CB 4.36Å; M214-A222 HydrophobicContact CE-CB 4.39Å; M214-L225 HydrophobicContact SD-CD1 4.42Å; M214-M226 HydrophobicContact CE-CG 4.01Å; M214-M226 HydrophobicContact CE-SD 4.21Å; M214-F231 HydrophobicContact CE-CE2 4.14Å; M214-F231 HydrophobicContact CE-CZ 4.47Å; M214-F231 HydrophobicContact SD-CE2 4.38Å
215F88.9Confident88.4Confident100 Ų10045.3 Ų45.344%0.43922%0.221SC..THydrogen-bonded Turntrans-61.5-24.3179.5-164.9-119.5000113.8Y176 Q211 P212 P213 L217Y176-F215 AromaticContact CD2-CD2 3.75Å; Y176-F215 HydrophobicContact CD2-CD2 3.75Å; Y176-F215 HydrophobicContact CD2-CE2 4.11Å; Y176-F215 AromaticContact CE2-CD2 3.78Å; Y176-F215 HydrophobicContact CE2-CD2 3.78Å; Y176-F215 AromaticContact CE2-CE2 3.99Å; Y176-F215 HydrophobicContact CE2-CE2 3.99Å; Y176-F215 HydrophobicContact CG-CD2 4.12Å; Q211-F215 HydrophobicContact CB-CB 4.27Å; Q211-F215 HydrophobicContact CB-CD1 4.07Å; Q211-F215 HydrophobicContact CB-CG 4.3Å; P212-F215 HydrophobicContact CG-CB 3.98Å; P212-F215 HydrophobicContact CG-CD2 3.66Å; P212-F215 HydrophobicContact CG-CE2 4.49Å; P212-F215 HydrophobicContact CG-CG 4.07Å; P212-F215 WeakPolarHBondContact O-CB 3.47Å; P213-F215 PolarHBondContact O-N 2.87Å; F215-L217 VanDerWaalsContact C-N 3.28Å
216D85.3Confident87.7Confident141 Ų14145.4 Ų45.475%0.75422%0.222SC*.THydrogen-bonded Turntrans-71.8-14.6172.455-42.4000114M214M214-D216 VanDerWaalsContact C-OD1 3.24Å; M214-D216 WeakPolarHBondContact CA-OD1 3.49Å; M214-D216 PolarHBondContact O-N 2.86Å
217L85.1Confident86.8Confident54 Ų5447.2 Ų47.228%0.28323%0.233SC..SBendtrans-92.1149.4176.4-58.4-173.6000111.8Y176 M214 F215 R221 L225Y176-L217 VanDerWaalsContact CE1-O 3.31Å; Y176-L217 WeakPolarHBondContact CE1-O 3.48Å; Y176-L217 PolarHBondContact OH-O 2.88Å; M214-L217 HydrophobicContact CB-CD1 4.04Å; M214-L217 HydrophobicContact CB-CG 4.27Å; M214-L217 HydrophobicContact CG-CD1 4.3Å; M214-L217 WeakPolarHBondContact O-CB 3.36Å; M214-L217 PolarHBondContact O-N 2.94Å; M214-L217 HydrophobicContact SD-CD1 4.49Å; F215-L217 VanDerWaalsContact C-N 3.28Å; L217-R221 HydrophobicContact CD1-CG 4.42Å; L217-L225 HydrophobicContact CD1-CD1 3.53Å
218H80.6Confident86.1Confident132 Ų13250.6 Ų50.661%0.61125%0.247SC*.  trans-57137.7169-173-103.3000110.7M220 R221 A222H218-M220 VanDerWaalsContact C-N 3.32Å; H218-M220 PolarHBondContact O-N 3.39Å; H218-M220 VanDerWaalsContact O-N 3.12Å; H218-R221 HydrophobicContact CB-CB 4.47Å; H218-R221 WeakPolarHBondContact O-CA 3.28Å; H218-R221 WeakPolarHBondContact O-CB 3.44Å; H218-R221 PolarHBondContact O-N 3.01Å; H218-A222 PolarHBondContact O-N 3.24Å; H218-A222 VanDerWaalsContact O-N 3.14Å
219P76.6Confident85.3Confident41 Ų4156.1 Ų56.127%0.26629%0.285SS..Hα-helixtrans-39.6-51.6179.4-40.642.2000115.9P175 Y176 R221 A222 L223P175-P219 HydrophobicContact CG-CB 3.65Å; P175-P219 HydrophobicContact CG-CG 4.22Å; Y176-P219 HydrophobicContact CE2-CG 4.49Å; Y176-P219 VanDerWaalsContact OH-CD 3.3Å; Y176-P219 WeakPolarHBondContact OH-CD 3.3Å; P219-R221 VanDerWaalsContact C-N 3.32Å; P219-R221 PolarHBondContact O-N 2.7Å; P219-A222 PolarHBondContact O-N 3.02Å; P219-L223 WeakPolarHBondContact O-CG 3.41Å; P219-L223 PolarHBondContact O-N 2.89Å; P219-L223 VanDerWaalsContact O-N 3.11Å
220M75.3Confident84.8Confident50 Ų5059.9 Ų59.925%0.24631%0.307CS..Hα-helixtrans-65.8-32.3-179.3-63.7-59.2-69.700112.9F171 H218 L223 F224 W542F171-M220 HydrophobicContact CD2-SD 4Å; F171-M220 HydrophobicContact CE2-SD 4.18Å; H218-M220 VanDerWaalsContact C-N 3.32Å; H218-M220 PolarHBondContact O-N 3.39Å; H218-M220 VanDerWaalsContact O-N 3.12Å; M220-L223 HydrophobicContact SD-CD1 4.08Å; M220-F224 VanDerWaalsContact O-CB 3.29Å; M220-F224 WeakPolarHBondContact O-CB 3.16Å; M220-F224 PolarHBondContact O-N 2.8Å; M220-W542 HydrophobicContact CE-CZ2 4.44Å
221R81.8Confident84.5Confident106 Ų10658.3 Ų58.340%0.430%0.297SS..Hα-helixtrans-71.2-40.1177.5-173.459.9168.6-164.3-7.4111.1L217 H218 P219 F224 L225L217-R221 HydrophobicContact CD1-CG 4.42Å; H218-R221 HydrophobicContact CB-CB 4.47Å; H218-R221 WeakPolarHBondContact O-CA 3.28Å; H218-R221 WeakPolarHBondContact O-CB 3.44Å; H218-R221 PolarHBondContact O-N 3.01Å; P219-R221 VanDerWaalsContact C-N 3.32Å; P219-R221 PolarHBondContact O-N 2.7Å; R221-F224 PolarHBondContact O-N 3.3Å; R221-L225 HydrophobicContact CG-CD1 4.43Å; R221-L225 WeakPolarHBondContact O-CB 3.35Å; R221-L225 VanDerWaalsContact O-CG 3.26Å; R221-L225 WeakPolarHBondContact O-CG 3.41Å; R221-L225 PolarHBondContact O-N 3.29Å
222A83.9Confident84.4Confident0 Ų061.1 Ų61.10%031%0.311CS..Hα-helixtrans-61.3-48.7174.300000111.3Y176 M214 H218 P219 L225 M226Y176-A222 HydrophobicContact CD1-CB 4.11Å; Y176-A222 HydrophobicContact CE1-CB 4.12Å; M214-A222 HydrophobicContact CB-CB 4.36Å; M214-A222 HydrophobicContact CE-CB 4.39Å; H218-A222 PolarHBondContact O-N 3.24Å; H218-A222 VanDerWaalsContact O-N 3.14Å; P219-A222 PolarHBondContact O-N 3.02Å; A222-L225 PolarHBondContact O-N 3.15Å; A222-M226 VanDerWaalsContact O-CG 3.31Å; A222-M226 WeakPolarHBondContact O-CG 3.35Å; A222-M226 PolarHBondContact O-N 3.38Å
223L79.8Confident84.4Confident9 Ų962.6 Ų62.65%0.04732%0.321CS..Hα-helixtrans-58.6-49.1176-68.3164000112.2F171 P175 M178 A183 P219 M220 L225 M226 T227F171-L223 HydrophobicContact CD1-CD1 4.34Å; F171-L223 HydrophobicContact CD2-CD1 4.46Å; F171-L223 HydrophobicContact CE1-CD1 3.57Å; F171-L223 HydrophobicContact CE1-CD2 4.49Å; F171-L223 HydrophobicContact CE2-CD1 3.71Å; F171-L223 HydrophobicContact CZ-CD1 3.21Å; F171-L223 HydrophobicContact CZ-CD2 4.26Å; F171-L223 HydrophobicContact CZ-CG 4.37Å; P175-L223 HydrophobicContact CB-CD1 3.9Å; P175-L223 HydrophobicContact CB-CD2 3.88Å; P175-L223 HydrophobicContact CB-CG 3.81Å; M178-L223 HydrophobicContact CE-CD2 4.44Å; M178-L223 HydrophobicContact SD-CD2 3.95Å; A183-L223 HydrophobicContact CB-CD2 3.82Å; P219-L223 WeakPolarHBondContact O-CG 3.41Å; P219-L223 PolarHBondContact O-N 2.89Å; P219-L223 VanDerWaalsContact O-N 3.11Å; M220-L223 HydrophobicContact SD-CD1 4.08Å; L223-L225 PolarHBondContact O-N 3.41Å; L223-M226 WeakPolarHBondContact O-CB 3.46Å; L223-M226 PolarHBondContact O-N 2.88Å; L223-M226 VanDerWaalsContact O-N 3.11Å; L223-T227 PolarHBondContact O-N 2.91Å
224F80Confident84.5Confident35 Ų3562.9 Ų62.915%0.15432%0.322CS..Hα-helixtrans-55.9-49.1177.3174.4-115.9000111.7M220 R221 M226 T227 K228 L545M220-F224 VanDerWaalsContact O-CB 3.29Å; M220-F224 WeakPolarHBondContact O-CB 3.16Å; M220-F224 PolarHBondContact O-N 2.8Å; R221-F224 PolarHBondContact O-N 3.3Å; F224-M226 VanDerWaalsContact C-N 3.28Å; F224-M226 PolarHBondContact O-N 2.78Å; F224-T227 PolarHBondContact O-N 2.78Å; F224-T227 VanDerWaalsContact O-N 3.12Å; F224-T227 PolarHBondContact O-OG1 3.35Å; F224-K228 PolarHBondContact O-N 3.44Å; F224-L545 HydrophobicContact CD2-CD2 4.46Å; F224-L545 WeakPolarHBondContact CE2-O 3.43Å
225L84.7Confident84.8Confident46 Ų4668.2 Ų68.224%0.24134%0.344CS..Hα-helixtrans-57-40.2176.6-72.9173.7000112.1M214 L217 R221 A222 L223 T227 K228 F231M214-L225 HydrophobicContact SD-CD1 4.42Å; L217-L225 HydrophobicContact CD1-CD1 3.53Å; R221-L225 HydrophobicContact CG-CD1 4.43Å; R221-L225 WeakPolarHBondContact O-CB 3.35Å; R221-L225 VanDerWaalsContact O-CG 3.26Å; R221-L225 WeakPolarHBondContact O-CG 3.41Å; R221-L225 PolarHBondContact O-N 3.29Å; A222-L225 PolarHBondContact O-N 3.15Å; L223-L225 PolarHBondContact O-N 3.41Å; L225-T227 VanDerWaalsContact C-N 3.31Å; L225-T227 PolarHBondContact O-N 3.07Å; L225-K228 HydrophobicContact CD2-CD 4.29Å; L225-K228 WeakPolarHBondContact O-CB 3.25Å; L225-K228 PolarHBondContact O-N 3.39Å; L225-F231 VanDerWaalsContact O-CB 3.31Å; L225-F231 WeakPolarHBondContact O-CB 3.3Å; L225-F231 WeakPolarHBondContact O-CD2 3.1Å
226M82.6Confident85.1Confident4 Ų463.8 Ų63.82%0.0233%0.325CS..Hα-helixtrans-63.8-32.1178.2-70.2171.869.800113.8M178 P180 W198 M214 A222 L223 F224 K228 F231M178-M226 WeakPolarHBondContact O-CE 3.43Å; P180-M226 HydrophobicContact CB-CE 4.45Å; P180-M226 HydrophobicContact CG-CE 3.97Å; W198-M226 HydrophobicContact CZ2-CE 4.37Å; M214-M226 HydrophobicContact CE-CG 4.01Å; M214-M226 HydrophobicContact CE-SD 4.21Å; A222-M226 VanDerWaalsContact O-CG 3.31Å; A222-M226 WeakPolarHBondContact O-CG 3.35Å; A222-M226 PolarHBondContact O-N 3.38Å; L223-M226 WeakPolarHBondContact O-CB 3.46Å; L223-M226 PolarHBondContact O-N 2.88Å; L223-M226 VanDerWaalsContact O-N 3.11Å; F224-M226 VanDerWaalsContact C-N 3.28Å; F224-M226 PolarHBondContact O-N 2.78Å; M226-K228 VanDerWaalsContact C-N 3.3Å; M226-K228 PolarHBondContact O-N 3.5Å; M226-F231 HydrophobicContact CB-CE2 4.46Å; M226-F231 HydrophobicContact CB-CZ 4.4Å; M226-F231 HydrophobicContact CG-CD2 4.38Å; M226-F231 HydrophobicContact CG-CE1 4.2Å; M226-F231 HydrophobicContact CG-CE2 3.78Å; M226-F231 HydrophobicContact CG-CZ 3.67Å
227T80.8Confident85.4Confident38 Ų3863.7 Ų63.723%0.23332%0.318CS..Hα-helixtrans-73.2-19.2176.8700000113.7A183 A184 L223 F224 L225A183-T227 HydrophobicContact CB-CG2 4.22Å; A183-T227 WeakPolarHBondContact O-CG2 3.17Å; A184-T227 HydrophobicContact CB-CG2 4.36Å; L223-T227 PolarHBondContact O-N 2.91Å; F224-T227 PolarHBondContact O-N 2.78Å; F224-T227 VanDerWaalsContact O-N 3.12Å; F224-T227 PolarHBondContact O-OG1 3.35Å; L225-T227 VanDerWaalsContact C-N 3.31Å; L225-T227 PolarHBondContact O-N 3.07Å
228K83.1Confident85.6Confident74 Ų7464.7 Ų64.732%0.32232%0.324SS..SBendtrans-62.9143.3-178.1-65-167.2175.5-1700112F224 L225 M226 N230 F231 K256F224-K228 PolarHBondContact O-N 3.44Å; L225-K228 HydrophobicContact CD2-CD 4.29Å; L225-K228 WeakPolarHBondContact O-CB 3.25Å; L225-K228 PolarHBondContact O-N 3.39Å; M226-K228 VanDerWaalsContact C-N 3.3Å; M226-K228 PolarHBondContact O-N 3.5Å; K228-N230 VanDerWaalsContact C-N 3.33Å; K228-N230 WeakPolarHBondContact CB-OD1 3.46Å; K228-N230 PolarHBondContact O-N 3.09Å; K228-F231 VanDerWaalsContact O-CB 3.29Å; K228-F231 WeakPolarHBondContact O-CB 3.36Å; K228-F231 PolarHBondContact O-N 2.94Å; K228-F231 VanDerWaalsContact O-N 3.17Å; K228-K256 PolarHBondContact O-NZ 2.89Å
229S80.8Confident86Confident119 Ų11966.4 Ų66.483%0.83233%0.329SS*.THydrogen-bonded Turntrans-58-45.2-179.355.90000112F231 K256S229-F231 VanDerWaalsContact C-N 3.32Å; S229-F231 PolarHBondContact O-N 2.73Å; S229-K256 PolarHBondContact O-NZ 2.72Å
230N85.1Confident86.7Confident113 Ų11372.5 Ų72.560%0.60436%0.359SS*.THydrogen-bonded Turntrans-75.2-8.6179.768-14.4000115.2K228 Q232K228-N230 VanDerWaalsContact C-N 3.33Å; K228-N230 WeakPolarHBondContact CB-OD1 3.46Å; K228-N230 PolarHBondContact O-N 3.09Å; N230-Q232 PolarHBondContact O-N 3.15Å; N230-Q232 PolarHBondContact O-NE2 2.66Å
231F89.9Confident87.5Confident22 Ų2275.5 Ų75.510%0.09637%0.37CS..PPolyproline II helixtrans-52.1123.5-178.6171.9-99.3000112P180 W198 M214 L225 M226 K228 S229 K256P180-F231 HydrophobicContact CG-CD1 4.39Å; P180-F231 HydrophobicContact CG-CE1 3.92Å; W198-F231 AromaticContact CH2-CE1 3.99Å; W198-F231 HydrophobicContact CH2-CE1 3.99Å; W198-F231 HydrophobicContact CZ2-CE1 4.28Å; W198-F231 HydrophobicContact CZ2-CZ 4.49Å; M214-F231 HydrophobicContact CE-CE2 4.14Å; M214-F231 HydrophobicContact CE-CZ 4.47Å; M214-F231 HydrophobicContact SD-CE2 4.38Å; L225-F231 VanDerWaalsContact O-CB 3.31Å; L225-F231 WeakPolarHBondContact O-CB 3.3Å; L225-F231 WeakPolarHBondContact O-CD2 3.1Å; M226-F231 HydrophobicContact CB-CE2 4.46Å; M226-F231 HydrophobicContact CB-CZ 4.4Å; M226-F231 HydrophobicContact CG-CD2 4.38Å; M226-F231 HydrophobicContact CG-CE1 4.2Å; M226-F231 HydrophobicContact CG-CE2 3.78Å; M226-F231 HydrophobicContact CG-CZ 3.67Å; K228-F231 VanDerWaalsContact O-CB 3.29Å; K228-F231 WeakPolarHBondContact O-CB 3.36Å; K228-F231 PolarHBondContact O-N 2.94Å; K228-F231 VanDerWaalsContact O-N 3.17Å; S229-F231 VanDerWaalsContact C-N 3.32Å; S229-F231 PolarHBondContact O-N 2.73Å; F231-K256 HydrophobicContact CD1-CD 4.24Å; F231-K256 PolarHBondContact O-NZ 2.88Å
232Q91.4Very high88.2Confident138 Ų13871.4 Ų71.465%0.64536%0.355SS*.PPolyproline II helixtrans-96.2133.1176.8-62.3-55.9-56.500109.7N230N230-Q232 PolarHBondContact O-N 3.15Å; N230-Q232 PolarHBondContact O-NE2 2.66Å
233P94.1Very high88.8Confident35 Ų3574.5 Ų74.523%0.22737%0.374CS..PPolyproline II helixtrans-56141.2172.3-26.935.9000112.5W198 L254 K256W198-P233 HydrophobicContact CH2-CB 4.03Å; W198-P233 HydrophobicContact CH2-CG 4.34Å; W198-P233 HydrophobicContact CZ3-CB 4.37Å; W198-P233 HydrophobicContact CZ3-CG 4.47Å; P233-L254 HydrophobicContact CB-CB 4.03Å; P233-L254 WeakPolarHBondContact CB-O 3.43Å; P233-L254 VanDerWaalsContact CG-O 3.22Å; P233-L254 WeakPolarHBondContact CG-O 3.03Å; P233-K256 HydrophobicContact CG-CB 4.11Å
234P95.3Very high89.6Confident21 Ų2180.9 Ų80.914%0.13641%0.408CS..PPolyproline II helixtrans-56.5160.5174.2-26.635.1000113.9I202 I205 P213 L254I202-P234 HydrophobicContact CD1-CG 4.23Å; I205-P234 HydrophobicContact CD1-CB 4.03Å; P213-P234 HydrophobicContact CB-CB 3.69Å; P213-P234 HydrophobicContact CB-CG 3.71Å; P213-P234 HydrophobicContact CG-CB 3.41Å; P213-P234 VanDerWaalsContact CG-CB 3.41Å; P213-P234 HydrophobicContact CG-CG 3.75Å; P234-L254 HydrophobicContact CB-CD1 4.15Å; P234-L254 WeakPolarHBondContact O-CD1 3.34Å
235K95.7Very high90.4Very high155 Ų15582.8 Ų82.867%0.67442%0.42SS*.  trans-144.3156.3178.5-60.2173.9-170.81650108.3K237K235-K237 PolarHBondContact O-N 2.91Å
236L94.9Very high91.1Very high6 Ų680.6 Ų80.63%0.03141%0.408CS..  trans-58.7132.7169.6-64.3161.6000109.6I205 A208 E209 W242 F246 V250I205-L236 HydrophobicContact CB-CD2 4.42Å; I205-L236 HydrophobicContact CG1-CD2 4.02Å; I205-L236 HydrophobicContact CG1-CG 4.44Å; I205-L236 HydrophobicContact CG2-CD2 4.4Å; A208-L236 HydrophobicContact CB-CD2 3.69Å; E209-L236 WeakPolarHBondContact OE1-CA 3.21Å; L236-W242 HydrophobicContact CD1-CB 4.16Å; L236-W242 HydrophobicContact CD1-CG 3.95Å; L236-F246 HydrophobicContact CD1-CD1 3.74Å; L236-F246 HydrophobicContact CD1-CD2 4.32Å; L236-F246 HydrophobicContact CD1-CE1 3.65Å; L236-F246 HydrophobicContact CD1-CE2 4.23Å; L236-F246 HydrophobicContact CD1-CG 4.06Å; L236-F246 HydrophobicContact CD1-CZ 3.9Å; L236-F246 HydrophobicContact CD2-CE1 4.23Å; L236-F246 HydrophobicContact CD2-CZ 4.15Å; L236-V250 HydrophobicContact CD1-CG2 4.26Å
237K91.6Very high91.8Very high139 Ų13982.4 Ų82.460%0.60442%0.417SS*.SBendtrans-67.4-47.3-174.5-67.6175.7-174.5123.20111.8E209 K235 K239E209-K237 PolarHBondContact OE1-N 2.84Å; E209-K237 WeakPolarHBondContact OE2-CD 3.4Å; E209-K237 VanDerWaalsContact OE2-CE 3.22Å; E209-K237 WeakPolarHBondContact OE2-CE 3.37Å; E209-K237 WeakPolarHBondContact OE2-CG 3.4Å; E209-K237 IonicContact OE2-NZ 3.52Å; E209-K237 PolarHBondContact OE2-NZ 3.33Å; K235-K237 PolarHBondContact O-N 2.91Å; K237-K239 PolarHBondContact O-N 2.97Å
238D89Confident92.6Very high76 Ų7684.6 Ų84.641%0.40642%0.424SS..  trans-83.4113.9176.6-168-29.1000110.4L240 K241 W242D238-L240 PolarHBondContact OD1-N 3.33Å; D238-K241 HydrophobicContact CB-CB 3.96Å; D238-K241 VanDerWaalsContact CG-CB 3.41Å; D238-K241 PolarHBondContact OD1-N 3.25Å; D238-K241 WeakPolarHBondContact OD2-CB 2.96Å; D238-W242 VanDerWaalsContact O-CD1 3.25Å
239K89.7Confident93.4Very high168 Ų16881.1 Ų81.173%0.7341%0.409SS*.SBendtrans-82.3-20.8-179.8-65.5177.5-174.1167.30113.6K237 H247K237-K239 PolarHBondContact O-N 2.97Å; K239-H247 PolarHBondContact O-NE2 3.32Å
240L90.6Very high94.2Very high169 Ų16975.6 Ų75.689%0.88537%0.37SS*.SBendtrans-97.7-26.7-173-62.5178.3000112.2D238D238-L240 PolarHBondContact OD1-N 3.33Å
241K92.3Very high94.8Very high112 Ų11277.3 Ų77.349%0.48737%0.372SS..SBendtrans-66.5-32.4177.7-179179176.9-170.10114.4D238D238-K241 HydrophobicContact CB-CB 3.96Å; D238-K241 VanDerWaalsContact CG-CB 3.41Å; D238-K241 PolarHBondContact OD1-N 3.25Å; D238-K241 WeakPolarHBondContact OD2-CB 2.96Å
242W96.1Very high95.2Very high20 Ų2078.9 Ų78.98%0.07638%0.381CS..SBendtrans-114.7145-167.6-54.3118.4000112.5E110 I113 A208 L236 D238 F246 H247E110-W242 HydrophobicContact CB-CE3 4.02Å; E110-W242 HydrophobicContact CB-CZ3 4Å; E110-W242 HydrophobicContact CG-CE3 4.37Å; E110-W242 WeakPolarHBondContact OE2-CA 3.5Å; I113-W242 HydrophobicContact CD1-CH2 4.29Å; A208-W242 HydrophobicContact CB-CH2 4.03Å; A208-W242 HydrophobicContact CB-CZ2 3.56Å; L236-W242 HydrophobicContact CD1-CB 4.16Å; L236-W242 HydrophobicContact CD1-CG 3.95Å; D238-W242 VanDerWaalsContact O-CD1 3.25Å; W242-F246 HydrophobicContact CB-CD1 3.85Å; W242-F246 AromaticContact CD2-CD1 3.78Å; W242-F246 HydrophobicContact CD2-CD1 3.78Å; W242-F246 AromaticContact CD2-CE1 3.73Å; W242-F246 HydrophobicContact CD2-CE1 3.73Å; W242-F246 AromaticContact CE3-CD1 3.66Å; W242-F246 HydrophobicContact CE3-CD1 3.66Å; W242-F246 AromaticContact CE3-CE1 3.69Å; W242-F246 HydrophobicContact CE3-CE1 3.69Å; W242-F246 AromaticContact CG-CD1 3.89Å; W242-F246 HydrophobicContact CG-CD1 3.89Å; W242-F246 HydrophobicContact CG-CE1 4.13Å; W242-F246 HydrophobicContact CH2-CE1 4.48Å; W242-F246 HydrophobicContact CZ3-CD1 4.4Å; W242-F246 HydrophobicContact CZ3-CE1 4.08Å; W242-H247 PolarHBondContact O-CD2 2.99Å; W242-H247 PolarHBondContact O-NE2 3.29Å
243T97.2Very high95.5Very high65 Ų6572.3 Ų72.340%0.39935%0.351SS..  trans-70158.6-177.678.70000113E110 N245 F246 H247E110-T243 VanDerWaalsContact OE1-CB 3.28Å; E110-T243 WeakPolarHBondContact OE1-CB 3.49Å; E110-T243 WeakPolarHBondContact OE1-CG2 3.2Å; E110-T243 PolarHBondContact OE1-OG1 2.91Å; E110-T243 PolarHBondContact OE2-N 2.93Å; T243-N245 PolarHBondContact O-N 3.34Å; T243-N245 VanDerWaalsContact O-N 3.16Å; T243-N245 PolarHBondContact OG1-N 3.28Å; T243-F246 PolarHBondContact O-N 2.91Å; T243-F246 VanDerWaalsContact O-N 3.1Å; T243-F246 PolarHBondContact OG1-N 2.74Å; T243-H247 PolarHBondContact O-CD2 3.42Å; T243-H247 VanDerWaalsContact O-CD2 3.31Å; T243-H247 PolarHBondContact O-N 3.3Å
244N96.9Very high95.7Very high143 Ų14370.7 Ų70.777%0.76534%0.34SS*.Hα-helixtrans-56.1-29.2171.5-71.8-40.9000112.8H248N244-H248 WeakPolarHBondContact O-CB 3.4Å; N244-H248 PolarHBondContact O-N 3.14Å
245N97.5Very high95.7Very high75 Ų7571.2 Ų71.240%0.40134%0.343SS..Hα-helixtrans-69.3-44.8176.3-75.4-22.9000111T243 H248 F249 H270T243-N245 PolarHBondContact O-N 3.34Å; T243-N245 VanDerWaalsContact O-N 3.16Å; T243-N245 PolarHBondContact OG1-N 3.28Å; N245-H248 PolarHBondContact O-N 3.06Å; N245-F249 WeakPolarHBondContact O-CB 3.26Å; N245-F249 PolarHBondContact O-N 3.29Å; N245-H270 VanDerWaalsContact CA-CE1 3.41Å; N245-H270 WeakPolarHBondContact CA-CE1 3.44Å; N245-H270 PolarHBondContact O-CE1 3.37Å
246F98.4Very high95.5Very high0 Ų066.8 Ų66.80%032%0.324CS..Hα-helixtrans-65.8-45.7177.5-173.8-160.8000111.8E110 I113 A204 A208 L236 W242 T243 H248 F249 V250 F272E110-F246 HydrophobicContact CG-CB 4.08Å; E110-F246 HydrophobicContact CG-CD1 3.84Å; E110-F246 HydrophobicContact CG-CG 4.16Å; I113-F246 HydrophobicContact CD1-CE1 4.1Å; I113-F246 HydrophobicContact CD1-CZ 3.99Å; I113-F246 HydrophobicContact CG2-CE2 4.01Å; I113-F246 HydrophobicContact CG2-CZ 3.87Å; A204-F246 HydrophobicContact CB-CE2 4.06Å; A208-F246 HydrophobicContact CB-CE1 4.2Å; A208-F246 HydrophobicContact CB-CZ 4.15Å; L236-F246 HydrophobicContact CD1-CD1 3.74Å; L236-F246 HydrophobicContact CD1-CD2 4.32Å; L236-F246 HydrophobicContact CD1-CE1 3.65Å; L236-F246 HydrophobicContact CD1-CE2 4.23Å; L236-F246 HydrophobicContact CD1-CG 4.06Å; L236-F246 HydrophobicContact CD1-CZ 3.9Å; L236-F246 HydrophobicContact CD2-CE1 4.23Å; L236-F246 HydrophobicContact CD2-CZ 4.15Å; W242-F246 HydrophobicContact CB-CD1 3.85Å; W242-F246 AromaticContact CD2-CD1 3.78Å; W242-F246 HydrophobicContact CD2-CD1 3.78Å; W242-F246 AromaticContact CD2-CE1 3.73Å; W242-F246 HydrophobicContact CD2-CE1 3.73Å; W242-F246 AromaticContact CE3-CD1 3.66Å; W242-F246 HydrophobicContact CE3-CD1 3.66Å; W242-F246 AromaticContact CE3-CE1 3.69Å; W242-F246 HydrophobicContact CE3-CE1 3.69Å; W242-F246 AromaticContact CG-CD1 3.89Å; W242-F246 HydrophobicContact CG-CD1 3.89Å; W242-F246 HydrophobicContact CG-CE1 4.13Å; W242-F246 HydrophobicContact CH2-CE1 4.48Å; W242-F246 HydrophobicContact CZ3-CD1 4.4Å; W242-F246 HydrophobicContact CZ3-CE1 4.08Å; T243-F246 PolarHBondContact O-N 2.91Å; T243-F246 VanDerWaalsContact O-N 3.1Å; T243-F246 PolarHBondContact OG1-N 2.74Å; F246-H248 VanDerWaalsContact C-N 3.27Å; F246-H248 PolarHBondContact O-N 3.47Å; F246-F249 WeakPolarHBondContact O-CB 3.44Å; F246-F249 PolarHBondContact O-N 3.24Å; F246-V250 HydrophobicContact CD2-CG2 3.86Å; F246-V250 HydrophobicContact CE2-CG2 3.57Å; F246-V250 HydrophobicContact CZ-CG2 4.4Å; F246-V250 WeakPolarHBondContact O-CG2 3.42Å; F246-V250 PolarHBondContact O-N 3.04Å; F246-F272 HydrophobicContact CB-CD2 3.82Å; F246-F272 HydrophobicContact CB-CE2 3.55Å; F246-F272 HydrophobicContact CB-CZ 4.26Å; F246-F272 HydrophobicContact CD1-CE2 4.34Å; F246-F272 HydrophobicContact CD1-CZ 4.48Å; F246-F272 HydrophobicContact CD2-CD1 4.44Å; F246-F272 HydrophobicContact CD2-CD2 4.22Å; F246-F272 AromaticContact CD2-CE1 3.8Å; F246-F272 HydrophobicContact CD2-CE1 3.8Å; F246-F272 AromaticContact CD2-CE2 3.54Å; F246-F272 HydrophobicContact CD2-CE2 3.54Å; F246-F272 AromaticContact CD2-CZ 3.3Å; F246-F272 HydrophobicContact CD2-CZ 3.3Å; F246-F272 HydrophobicContact CE2-CE1 4.12Å; F246-F272 HydrophobicContact CE2-CE2 4.35Å; F246-F272 AromaticContact CE2-CZ 3.7Å; F246-F272 HydrophobicContact CE2-CZ 3.7Å; F246-F272 HydrophobicContact CG-CD2 4.26Å; F246-F272 AromaticContact CG-CE2 3.56Å; F246-F272 HydrophobicContact CG-CE2 3.56Å; F246-F272 AromaticContact CG-CZ 3.78Å; F246-F272 HydrophobicContact CG-CZ 3.78Å; F246-F272 HydrophobicContact CZ-CZ 4.45Å
247H97.9Very high95.3Very high43 Ų4370 Ų7020%0.19934%0.341CS..Hα-helixtrans-56.8-39.3172.1-78.1-72.4000112.5K239 W242 T243 K251K239-H247 PolarHBondContact O-NE2 3.32Å; W242-H247 PolarHBondContact O-CD2 2.99Å; W242-H247 PolarHBondContact O-NE2 3.29Å; T243-H247 PolarHBondContact O-CD2 3.42Å; T243-H247 VanDerWaalsContact O-CD2 3.31Å; T243-H247 PolarHBondContact O-N 3.3Å; H247-K251 VanDerWaalsContact O-CB 3.24Å; H247-K251 WeakPolarHBondContact O-CB 3.46Å; H247-K251 PolarHBondContact O-N 2.87Å
248H98.2Very high95.2Very high84 Ų8464.8 Ų64.839%0.38932%0.322SS..Hα-helixtrans-71.2-38.5178-171.4-136.2000112.6N244 N245 F246 K251 L252 H270N244-H248 WeakPolarHBondContact O-CB 3.4Å; N244-H248 PolarHBondContact O-N 3.14Å; N245-H248 PolarHBondContact O-N 3.06Å; F246-H248 VanDerWaalsContact C-N 3.27Å; F246-H248 PolarHBondContact O-N 3.47Å; H248-K251 PolarHBondContact O-N 2.95Å; H248-L252 WeakPolarHBondContact O-CG 3.35Å; H248-L252 PolarHBondContact O-N 3.33Å; H248-H270 WeakPolarHBondContact CB-NE2 3.21Å; H248-H270 AromaticContact CD2-NE2 3.71Å; H248-H270 AromaticContact CE1-NE2 3.14Å; H248-H270 PolarHBondContact CE1-NE2 3.42Å; H248-H270 AromaticContact CG-NE2 2.72Å; H248-H270 AromaticContact ND1-NE2 2.24Å; H248-H270 PolarHBondContact ND1-NE2 2.87Å; H248-H270 AromaticContact NE2-NE2 3.93Å; H248-H270 PolarHBondContact O-NE2 2.81Å
249F98.6Very high95.2Very high0 Ų070.7 Ų70.70%034%0.344CS..Hα-helixtrans-59.2-53.3174.2175.6-94.6000111.2L121 V200 A204 N245 F246 K251 L252 A253 L267 H270 F272 V273L121-F249 HydrophobicContact CD1-CE2 3.96Å; L121-F249 HydrophobicContact CD1-CZ 4.04Å; V200-F249 HydrophobicContact CG1-CE1 4.41Å; V200-F249 HydrophobicContact CG1-CZ 4.11Å; A204-F249 HydrophobicContact CB-CE1 4.25Å; N245-F249 WeakPolarHBondContact O-CB 3.26Å; N245-F249 PolarHBondContact O-N 3.29Å; F246-F249 WeakPolarHBondContact O-CB 3.44Å; F246-F249 PolarHBondContact O-N 3.24Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3.17Å; F249-L252 PolarHBondContact O-N 2.72Å; F249-L252 VanDerWaalsContact O-N 3.15Å; F249-A253 WeakPolarHBondContact O-CB 3.48Å; F249-A253 PolarHBondContact O-N 3.03Å; F249-L267 HydrophobicContact CD2-CD1 3.74Å; F249-L267 HydrophobicContact CD2-CG 4.13Å; F249-L267 HydrophobicContact CE2-CD1 3.78Å; F249-L267 HydrophobicContact CE2-CD2 3.89Å; F249-L267 HydrophobicContact CE2-CG 3.61Å; F249-L267 HydrophobicContact CZ-CD2 4.12Å; F249-L267 HydrophobicContact CZ-CG 4.34Å; F249-H270 HydrophobicContact CD2-CB 4.4Å; F249-H270 PolarHBondContact N-CE1 2.79Å; F249-H270 VanDerWaalsContact N-CE1 3.34Å; F249-H270 PolarHBondContact N-NE2 3.34Å; F249-F272 HydrophobicContact CB-CB 3.84Å; F249-F272 HydrophobicContact CB-CD1 3.76Å; F249-F272 HydrophobicContact CB-CG 3.91Å; F249-F272 AromaticContact CD1-CD1 3.58Å; F249-F272 HydrophobicContact CD1-CD1 3.58Å; F249-F272 AromaticContact CD1-CE1 3.76Å; F249-F272 HydrophobicContact CD1-CE1 3.76Å; F249-F272 HydrophobicContact CD2-CB 4.12Å; F249-F272 AromaticContact CD2-CD1 3.59Å; F249-F272 HydrophobicContact CD2-CD1 3.59Å; F249-F272 HydrophobicContact CD2-CG 4.28Å; F249-F272 HydrophobicContact CE1-CD1 4.01Å; F249-F272 AromaticContact CE1-CE1 4Å; F249-F272 HydrophobicContact CE1-CE1 4Å; F249-F272 AromaticContact CE2-CD1 4Å; F249-F272 HydrophobicContact CE2-CD1 4Å; F249-F272 HydrophobicContact CG-CB 4.15Å; F249-F272 AromaticContact CG-CD1 3.36Å; F249-F272 HydrophobicContact CG-CD1 3.36Å; F249-F272 HydrophobicContact CG-CE1 4.04Å; F249-F272 HydrophobicContact CG-CG 4.02Å; F249-F272 HydrophobicContact CZ-CD1 4.21Å; F249-F272 HydrophobicContact CZ-CE1 4.46Å; F249-V273 HydrophobicContact CD2-CG1 4.31Å; F249-V273 HydrophobicContact CE2-CG1 3.71Å; F249-V273 HydrophobicContact CE2-CG2 4.45Å; F249-V273 HydrophobicContact CZ-CG1 4.21Å
250V98.4Very high95.5Very high3 Ų370.5 Ų70.52%0.01834%0.343CS..Hα-helixtrans-58.7-43.7177.51740000110.9A204 I205 L236 F246 L252 A253 L254A204-V250 HydrophobicContact CB-CG2 4.39Å; I205-V250 HydrophobicContact CD1-CG1 3.88Å; I205-V250 HydrophobicContact CG1-CG1 4.02Å; L236-V250 HydrophobicContact CD1-CG2 4.26Å; F246-V250 HydrophobicContact CD2-CG2 3.86Å; F246-V250 HydrophobicContact CE2-CG2 3.57Å; F246-V250 HydrophobicContact CZ-CG2 4.4Å; F246-V250 WeakPolarHBondContact O-CG2 3.42Å; F246-V250 PolarHBondContact O-N 3.04Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.89Å; V250-A253 PolarHBondContact O-N 2.83Å; V250-L254 HydrophobicContact CG1-CD1 3.7Å; V250-L254 HydrophobicContact CG1-CG 4.27Å; V250-L254 WeakPolarHBondContact O-CB 3.35Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 2.86Å
251K97.9Very high95.8Very high149 Ų14962.9 Ų62.965%0.64830%0.302SS*.Hα-helixtrans-60-38.9176.8180-174.9175.1-170.30113.2H247 H248 F249H247-K251 VanDerWaalsContact O-CB 3.24Å; H247-K251 WeakPolarHBondContact O-CB 3.46Å; H247-K251 PolarHBondContact O-N 2.87Å; H248-K251 PolarHBondContact O-N 2.95Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3.17Å
252L98Very high96Very high55 Ų5558.5 Ų58.529%0.28829%0.285SS..Hα-helixtrans-73.7-45.3178.1-72.4175.4000111.5H248 F249 V250 L254 T255 P262 L267H248-L252 WeakPolarHBondContact O-CG 3.35Å; H248-L252 PolarHBondContact O-N 3.33Å; F249-L252 PolarHBondContact O-N 2.72Å; F249-L252 VanDerWaalsContact O-N 3.15Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.89Å; L252-L254 PolarHBondContact O-N 3.09Å; L252-T255 WeakPolarHBondContact O-CB 3.36Å; L252-T255 PolarHBondContact O-N 3.5Å; L252-T255 PolarHBondContact O-OG1 3.19Å; L252-P262 HydrophobicContact CB-CG 4.32Å; L252-P262 WeakPolarHBondContact O-CD 3.44Å; L252-L267 HydrophobicContact CB-CD1 4.44Å
253A97.8Very high96.1Very high0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-57.9-47.2176.400000111.3F249 V250 T255 R261 L267F249-A253 WeakPolarHBondContact O-CB 3.48Å; F249-A253 PolarHBondContact O-N 3.03Å; V250-A253 PolarHBondContact O-N 2.83Å; A253-T255 PolarHBondContact O-N 3.5Å; A253-T255 VanDerWaalsContact O-N 3.08Å; A253-R261 VanDerWaalsContact O-CD 3.26Å; A253-R261 WeakPolarHBondContact O-CD 3.43Å; A253-R261 WeakPolarHBondContact O-CG 3.44Å; A253-L267 HydrophobicContact CB-CD2 4.21Å
254L97.6Very high96Very high2 Ų256.9 Ų56.91%0.0128%0.278CS..THydrogen-bonded Turntrans-83.835.1178.8-56.6-177.8000113.6W198 I202 I205 P233 P234 V250 L252 K256W198-L254 HydrophobicContact CD2-CD2 3.65Å; W198-L254 HydrophobicContact CE3-CB 4.22Å; W198-L254 HydrophobicContact CE3-CD2 4.01Å; W198-L254 HydrophobicContact CG-CD2 3.98Å; W198-L254 HydrophobicContact CH2-CB 4.28Å; W198-L254 HydrophobicContact CH2-CD2 4.43Å; W198-L254 HydrophobicContact CZ2-CD2 4.13Å; W198-L254 VanDerWaalsContact CZ3-C 3.44Å; W198-L254 HydrophobicContact CZ3-CB 4.01Å; W198-L254 HydrophobicContact CZ3-CD2 4.39Å; W198-L254 VanDerWaalsContact CZ3-O 3.22Å; W198-L254 WeakPolarHBondContact CZ3-O 3.34Å; W198-L254 WeakPolarHBondContact O-CD2 3.5Å; I202-L254 HydrophobicContact CD1-CD1 4.11Å; I202-L254 HydrophobicContact CD1-CD2 3.65Å; I202-L254 HydrophobicContact CG1-CD2 3.86Å; I205-L254 HydrophobicContact CD1-CD1 3.76Å; P233-L254 HydrophobicContact CB-CB 4.03Å; P233-L254 WeakPolarHBondContact CB-O 3.43Å; P233-L254 VanDerWaalsContact CG-O 3.22Å; P233-L254 WeakPolarHBondContact CG-O 3.03Å; P234-L254 HydrophobicContact CB-CD1 4.15Å; P234-L254 WeakPolarHBondContact O-CD1 3.34Å; V250-L254 HydrophobicContact CG1-CD1 3.7Å; V250-L254 HydrophobicContact CG1-CG 4.27Å; V250-L254 WeakPolarHBondContact O-CB 3.35Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 2.86Å; L252-L254 PolarHBondContact O-N 3.09Å; L254-K256 PolarHBondContact O-N 3.07Å
255T96.4Very high96Very high32 Ų3254.6 Ų54.620%0.19626%0.262CS..  trans-70.8112171.4-62.70000110L252 A253 N257 K260 R261L252-T255 WeakPolarHBondContact O-CB 3.36Å; L252-T255 PolarHBondContact O-N 3.5Å; L252-T255 PolarHBondContact O-OG1 3.19Å; A253-T255 PolarHBondContact O-N 3.5Å; A253-T255 VanDerWaalsContact O-N 3.08Å; T255-N257 VanDerWaalsContact C-N 3.28Å; T255-N257 PolarHBondContact O-N 3.46Å; T255-K260 HydrophobicContact CG2-CB 3.83Å; T255-R261 PolarHBondContact O-NE 3.26Å; T255-R261 PolarHBondContact O-NH2 2.87Å
256K91.1Very high96Very high62 Ų6257.3 Ų57.327%0.2727%0.271SS..SBendtrans-54.9-37.1-177.5-174.1176.1-175175.30113.9P180 K228 S229 F231 P233 L254 P258P180-K256 HydrophobicContact CB-CG 4.35Å; P180-K256 HydrophobicContact CG-CG 4.27Å; K228-K256 PolarHBondContact O-NZ 2.89Å; S229-K256 PolarHBondContact O-NZ 2.72Å; F231-K256 HydrophobicContact CD1-CD 4.24Å; F231-K256 PolarHBondContact O-NZ 2.88Å; P233-K256 HydrophobicContact CG-CB 4.11Å; L254-K256 PolarHBondContact O-N 3.07Å; K256-P258 WeakPolarHBondContact O-CD 3.14Å
257N90.1Very high96Very high73 Ų7357.4 Ų57.439%0.3927%0.271SS..SBendtrans-86.2111.6177.7-178.1-17.4000109.9T255 K259 K260 R261T255-N257 VanDerWaalsContact C-N 3.28Å; T255-N257 PolarHBondContact O-N 3.46Å; N257-K259 PolarHBondContact O-N 3.45Å; N257-K259 WeakPolarHBondContact OD1-CB 3.33Å; N257-K259 PolarHBondContact OD1-N 3.3Å; N257-K260 HydrophobicContact CB-CB 4.39Å; N257-K260 HydrophobicContact CB-CG 4.43Å; N257-K260 PolarHBondContact O-N 3.01Å; N257-R261 PolarHBondContact O-N 2.7Å
258P89.1Confident96Very high30 Ų3057 Ų5720%0.19527%0.27CS..G310 helixtrans-59.5-33.2-177.724-34.7000112.4E181 L194 K256 K260 R261E181-P258 HydrophobicContact CB-CG 4.2Å; E181-P258 HydrophobicContact CG-CB 4.27Å; E181-P258 HydrophobicContact CG-CG 3.99Å; L194-P258 WeakPolarHBondContact CD1-O 3.32Å; K256-P258 WeakPolarHBondContact O-CD 3.14Å; P258-K260 PolarHBondContact O-N 2.84Å; P258-K260 VanDerWaalsContact O-N 3.11Å; P258-R261 PolarHBondContact O-N 2.87Å; P258-R261 VanDerWaalsContact O-N 3.11Å
259K90.1Very high95.9Very high200 Ų20059.7 Ų59.787%0.8728%0.283SS*.G310 helixtrans-65-15.6176.8-59.6-174.9178.5-177.10113.9N257N257-K259 PolarHBondContact O-N 3.45Å; N257-K259 WeakPolarHBondContact OD1-CB 3.33Å; N257-K259 PolarHBondContact OD1-N 3.3Å
260K94.6Very high95.9Very high163 Ų16360.3 Ų60.371%0.70929%0.286SS*.G310 helixtrans-107.8-9.4175.7-64.1-169.5176.7-173.30113.3T255 N257 P258T255-K260 HydrophobicContact CG2-CB 3.83Å; N257-K260 HydrophobicContact CB-CB 4.39Å; N257-K260 HydrophobicContact CB-CG 4.43Å; N257-K260 PolarHBondContact O-N 3.01Å; P258-K260 PolarHBondContact O-N 2.84Å; P258-K260 VanDerWaalsContact O-N 3.11Å
261R96.7Very high95.9Very high10 Ų1063.2 Ų63.24%0.03831%0.305CS..SBendtrans-72136.7178.6-162.9179.2-58.11456.9109.2E181 L194 I197 A253 T255 N257 P258E181-R261 IonicContact OE1-CZ 2.72Å; E181-R261 IonicContact OE1-NH1 3.78Å; E181-R261 PolarHBondContact OE1-NH1 3.15Å; E181-R261 IonicContact OE1-NH2 2.66Å; E181-R261 PolarHBondContact OE1-NH2 3.17Å; E181-R261 IonicContact OE2-CZ 3.26Å; E181-R261 IonicContact OE2-NH1 3.39Å; E181-R261 IonicContact OE2-NH2 3.69Å; E181-R261 PolarHBondContact OE2-NH2 3.02Å; L194-R261 WeakPolarHBondContact O-CD 3.32Å; L194-R261 PolarHBondContact O-NH1 2.9Å; I197-R261 HydrophobicContact CB-CG 4.42Å; I197-R261 HydrophobicContact CG2-CG 4.12Å; A253-R261 VanDerWaalsContact O-CD 3.26Å; A253-R261 WeakPolarHBondContact O-CD 3.43Å; A253-R261 WeakPolarHBondContact O-CG 3.44Å; T255-R261 PolarHBondContact O-NE 3.26Å; T255-R261 PolarHBondContact O-NH2 2.87Å; N257-R261 PolarHBondContact O-N 2.7Å; P258-R261 PolarHBondContact O-N 2.87Å; P258-R261 VanDerWaalsContact O-N 3.11Å
262P97.2Very high95.9Very high19 Ų1956.2 Ų56.212%0.12327%0.274CS..PPolyproline II helixtrans-65.5153.5177.927.8-34.9000111.5L252 K266 L267L252-P262 HydrophobicContact CB-CG 4.32Å; L252-P262 WeakPolarHBondContact O-CD 3.44Å; P262-K266 HydrophobicContact CB-CB 3.96Å; P262-L267 HydrophobicContact CB-CB 4.42Å; P262-L267 HydrophobicContact CG-CB 4.34Å; P262-L267 HydrophobicContact CG-CD1 4.17Å
263T97.4Very high95.9Very high51 Ų5153.6 Ų53.631%0.31326%0.261SS..PPolyproline II helixtrans-73.4164.4165.751.90000110.4L194 E265 K266 L267L194-T263 HydrophobicContact CD2-CG2 4.04Å; T263-E265 VanDerWaalsContact C-N 3.25Å; T263-E265 PolarHBondContact O-N 2.95Å; T263-K266 PolarHBondContact O-N 2.64Å; T263-K266 VanDerWaalsContact O-N 3.14Å; T263-K266 WeakPolarHBondContact OG1-CG 3.47Å; T263-K266 PolarHBondContact OG1-N 3.4Å; T263-L267 PolarHBondContact O-N 2.83Å
264A96.6Very high95.8Very high1 Ų157.1 Ų57.11%0.00829%0.285CS..Hα-helixtrans-51.5-46.3172.800000111.9L121 L124 I197 K266 L267 L268L121-A264 HydrophobicContact CD2-CB 4.29Å; L124-A264 HydrophobicContact CB-CB 4.36Å; I197-A264 HydrophobicContact CD1-CB 3.86Å; A264-K266 PolarHBondContact O-N 3.39Å; A264-L267 PolarHBondContact O-N 2.77Å; A264-L268 WeakPolarHBondContact O-CG 3.41Å; A264-L268 PolarHBondContact O-N 2.74Å
265E96.7Very high95.6Very high95 Ų9560.3 Ų60.344%0.44430%0.3SS..Hα-helixtrans-54.8-47.2176-172.4-179.1-130.200113.7Y125 T263Y125-E265 HydrophobicContact CD2-CB 3.74Å; Y125-E265 HydrophobicContact CD2-CG 4.38Å; Y125-E265 HydrophobicContact CE2-CB 3.69Å; Y125-E265 HydrophobicContact CE2-CG 3.88Å; T263-E265 VanDerWaalsContact C-N 3.25Å; T263-E265 PolarHBondContact O-N 2.95Å
266K97.3Very high95.5Very high132 Ų13265.1 Ų65.157%0.57433%0.332SS*.Hα-helixtrans-69.8-34.4178.5-73.2177.1179.2179.40111.9P262 T263 A264 Q269P262-K266 HydrophobicContact CB-CB 3.96Å; T263-K266 PolarHBondContact O-N 2.64Å; T263-K266 VanDerWaalsContact O-N 3.14Å; T263-K266 WeakPolarHBondContact OG1-CG 3.47Å; T263-K266 PolarHBondContact OG1-N 3.4Å; A264-K266 PolarHBondContact O-N 3.39Å; K266-Q269 PolarHBondContact O-N 2.89Å
267L97.5Very high95.7Very high1 Ų163 Ų631%0.00532%0.323CS..Hα-helixtrans-76.8-27.4-179.8-165.358.3000112.1L121 I197 F249 L252 A253 P262 T263 A264 Q269 H270 V273L121-L267 HydrophobicContact CD1-CB 4.17Å; L121-L267 HydrophobicContact CD1-CD2 3.96Å; L121-L267 HydrophobicContact CD1-CG 3.84Å; L121-L267 HydrophobicContact CD2-CB 4.43Å; L121-L267 HydrophobicContact CD2-CD2 4Å; I197-L267 HydrophobicContact CG2-CD2 3.76Å; F249-L267 HydrophobicContact CD2-CD1 3.74Å; F249-L267 HydrophobicContact CD2-CG 4.13Å; F249-L267 HydrophobicContact CE2-CD1 3.78Å; F249-L267 HydrophobicContact CE2-CD2 3.89Å; F249-L267 HydrophobicContact CE2-CG 3.61Å; F249-L267 HydrophobicContact CZ-CD2 4.12Å; F249-L267 HydrophobicContact CZ-CG 4.34Å; L252-L267 HydrophobicContact CB-CD1 4.44Å; A253-L267 HydrophobicContact CB-CD2 4.21Å; P262-L267 HydrophobicContact CB-CB 4.42Å; P262-L267 HydrophobicContact CG-CB 4.34Å; P262-L267 HydrophobicContact CG-CD1 4.17Å; T263-L267 PolarHBondContact O-N 2.83Å; A264-L267 PolarHBondContact O-N 2.77Å; L267-Q269 PolarHBondContact O-N 2.75Å; L267-H270 HydrophobicContact CD1-CB 4.25Å; L267-H270 WeakPolarHBondContact O-CB 3.38Å; L267-H270 PolarHBondContact O-N 2.72Å; L267-H270 VanDerWaalsContact O-N 3.09Å; L267-V273 WeakPolarHBondContact O-CG2 3.28Å
268L97.9Very high95.8Very high36 Ų3662.2 Ų62.219%0.18832%0.323CS..Hα-helixtrans-63.4-21.6169.8-77.7167.6000113.9R118 L121 Q122 A264 H270R118-L268 HydrophobicContact CG-CD2 4.02Å; L121-L268 HydrophobicContact CB-CD1 4.46Å; L121-L268 HydrophobicContact CB-CD2 3.62Å; L121-L268 HydrophobicContact CB-CG 3.83Å; Q122-L268 HydrophobicContact CG-CD1 4.31Å; Q122-L268 HydrophobicContact CG-CD2 3.94Å; A264-L268 WeakPolarHBondContact O-CG 3.41Å; A264-L268 PolarHBondContact O-N 2.74Å; L268-H270 VanDerWaalsContact C-N 3.29Å
269Q97.6Very high96.1Very high140 Ų14065.8 Ų65.865%0.65433%0.333SS*.THydrogen-bonded Turntrans-85.1-0.1174.8-61173.67.600112.8K266 L267K266-Q269 PolarHBondContact O-N 2.89Å; L267-Q269 PolarHBondContact O-N 2.75Å
270H98.4Very high96.3Very high12 Ų1259.7 Ų59.76%0.05631%0.313CS..SBendtrans-77136.3-177.4-172.2-81.4000111.5N245 H248 F249 L267 L268 F272 V273 S274N245-H270 VanDerWaalsContact CA-CE1 3.41Å; N245-H270 WeakPolarHBondContact CA-CE1 3.44Å; N245-H270 PolarHBondContact O-CE1 3.37Å; H248-H270 WeakPolarHBondContact CB-NE2 3.21Å; H248-H270 AromaticContact CD2-NE2 3.71Å; H248-H270 AromaticContact CE1-NE2 3.14Å; H248-H270 PolarHBondContact CE1-NE2 3.42Å; H248-H270 AromaticContact CG-NE2 2.72Å; H248-H270 AromaticContact ND1-NE2 2.24Å; H248-H270 PolarHBondContact ND1-NE2 2.87Å; H248-H270 AromaticContact NE2-NE2 3.93Å; H248-H270 PolarHBondContact O-NE2 2.81Å; F249-H270 HydrophobicContact CD2-CB 4.4Å; F249-H270 PolarHBondContact N-CE1 2.79Å; F249-H270 VanDerWaalsContact N-CE1 3.34Å; F249-H270 PolarHBondContact N-NE2 3.34Å; L267-H270 HydrophobicContact CD1-CB 4.25Å; L267-H270 WeakPolarHBondContact O-CB 3.38Å; L267-H270 PolarHBondContact O-N 2.72Å; L267-H270 VanDerWaalsContact O-N 3.09Å; L268-H270 VanDerWaalsContact C-N 3.29Å; H270-F272 VanDerWaalsContact ND1-CB 3.28Å; H270-F272 WeakPolarHBondContact ND1-CB 3.35Å; H270-F272 PolarHBondContact ND1-N 3.21Å; H270-F272 PolarHBondContact O-N 2.86Å; H270-V273 HydrophobicContact CB-CG2 4.35Å; H270-V273 WeakPolarHBondContact O-CG2 3.39Å; H270-V273 PolarHBondContact O-N 3.22Å; H270-S274 PolarHBondContact O-N 3.15Å; H270-S274 PolarHBondContact O-OG 3.4Å
271P97.8Very high96.4Very high65 Ų6553.1 Ų53.142%0.42229%0.285SS..Hα-helixtrans-49.5-31.4-177.9-31.836.5000115.8V273 S274 Q275P271-V273 VanDerWaalsContact C-N 3.31Å; P271-V273 PolarHBondContact O-N 2.9Å; P271-S274 WeakPolarHBondContact CA-OG 3.18Å; P271-Q275 PolarHBondContact O-N 3Å
272F98.1Very high96.3Very high1 Ų152.7 Ų52.70%0.00428%0.284CS..Hα-helixtrans-60.8-36.5176.8-178.1-114.5000113.1E110 I113 A114 F246 F249 H270 Q275E110-F272 HydrophobicContact CG-CE2 3.64Å; E110-F272 HydrophobicContact CG-CZ 4.46Å; I113-F272 HydrophobicContact CB-CZ 4.34Å; I113-F272 HydrophobicContact CG2-CE1 4.4Å; I113-F272 HydrophobicContact CG2-CZ 4.06Å; A114-F272 HydrophobicContact CB-CD1 4.34Å; A114-F272 HydrophobicContact CB-CD2 4.23Å; A114-F272 HydrophobicContact CB-CE1 4Å; A114-F272 HydrophobicContact CB-CE2 3.85Å; A114-F272 HydrophobicContact CB-CG 4.45Å; A114-F272 HydrophobicContact CB-CZ 3.73Å; A114-F272 VanDerWaalsContact CB-O 3.22Å; A114-F272 WeakPolarHBondContact CB-O 3.38Å; F246-F272 HydrophobicContact CB-CD2 3.82Å; F246-F272 HydrophobicContact CB-CE2 3.55Å; F246-F272 HydrophobicContact CB-CZ 4.26Å; F246-F272 HydrophobicContact CD1-CE2 4.34Å; F246-F272 HydrophobicContact CD1-CZ 4.48Å; F246-F272 HydrophobicContact CD2-CD1 4.44Å; F246-F272 HydrophobicContact CD2-CD2 4.22Å; F246-F272 AromaticContact CD2-CE1 3.8Å; F246-F272 HydrophobicContact CD2-CE1 3.8Å; F246-F272 AromaticContact CD2-CE2 3.54Å; F246-F272 HydrophobicContact CD2-CE2 3.54Å; F246-F272 AromaticContact CD2-CZ 3.3Å; F246-F272 HydrophobicContact CD2-CZ 3.3Å; F246-F272 HydrophobicContact CE2-CE1 4.12Å; F246-F272 HydrophobicContact CE2-CE2 4.35Å; F246-F272 AromaticContact CE2-CZ 3.7Å; F246-F272 HydrophobicContact CE2-CZ 3.7Å; F246-F272 HydrophobicContact CG-CD2 4.26Å; F246-F272 AromaticContact CG-CE2 3.56Å; F246-F272 HydrophobicContact CG-CE2 3.56Å; F246-F272 AromaticContact CG-CZ 3.78Å; F246-F272 HydrophobicContact CG-CZ 3.78Å; F246-F272 HydrophobicContact CZ-CZ 4.45Å; F249-F272 HydrophobicContact CB-CB 3.84Å; F249-F272 HydrophobicContact CB-CD1 3.76Å; F249-F272 HydrophobicContact CB-CG 3.91Å; F249-F272 AromaticContact CD1-CD1 3.58Å; F249-F272 HydrophobicContact CD1-CD1 3.58Å; F249-F272 AromaticContact CD1-CE1 3.76Å; F249-F272 HydrophobicContact CD1-CE1 3.76Å; F249-F272 HydrophobicContact CD2-CB 4.12Å; F249-F272 AromaticContact CD2-CD1 3.59Å; F249-F272 HydrophobicContact CD2-CD1 3.59Å; F249-F272 HydrophobicContact CD2-CG 4.28Å; F249-F272 HydrophobicContact CE1-CD1 4.01Å; F249-F272 AromaticContact CE1-CE1 4Å; F249-F272 HydrophobicContact CE1-CE1 4Å; F249-F272 AromaticContact CE2-CD1 4Å; F249-F272 HydrophobicContact CE2-CD1 4Å; F249-F272 HydrophobicContact CG-CB 4.15Å; F249-F272 AromaticContact CG-CD1 3.36Å; F249-F272 HydrophobicContact CG-CD1 3.36Å; F249-F272 HydrophobicContact CG-CE1 4.04Å; F249-F272 HydrophobicContact CG-CG 4.02Å; F249-F272 HydrophobicContact CZ-CD1 4.21Å; F249-F272 HydrophobicContact CZ-CE1 4.46Å; H270-F272 VanDerWaalsContact ND1-CB 3.28Å; H270-F272 WeakPolarHBondContact ND1-CB 3.35Å; H270-F272 PolarHBondContact ND1-N 3.21Å; H270-F272 PolarHBondContact O-N 2.86Å; F272-Q275 WeakPolarHBondContact O-CG 3.41Å; F272-Q275 PolarHBondContact O-NE2 3.46Å
273V97.4Very high96.2Very high1 Ų154.2 Ų54.21%0.00629%0.29CS..Hα-helixtrans-110.5-17.3-177.5-63.70000113.7R118 F249 L267 H270 P271R118-V273 HydrophobicContact CB-CB 3.93Å; R118-V273 HydrophobicContact CB-CG1 4.25Å; R118-V273 WeakPolarHBondContact CD-O 3.41Å; R118-V273 HydrophobicContact CG-CB 4.23Å; F249-V273 HydrophobicContact CD2-CG1 4.31Å; F249-V273 HydrophobicContact CE2-CG1 3.71Å; F249-V273 HydrophobicContact CE2-CG2 4.45Å; F249-V273 HydrophobicContact CZ-CG1 4.21Å; L267-V273 WeakPolarHBondContact O-CG2 3.28Å; H270-V273 HydrophobicContact CB-CG2 4.35Å; H270-V273 WeakPolarHBondContact O-CG2 3.39Å; H270-V273 PolarHBondContact O-N 3.22Å; P271-V273 VanDerWaalsContact C-N 3.31Å; P271-V273 PolarHBondContact O-N 2.9Å
274S95.6Very high96Very high73 Ų7356.4 Ų56.451%0.5130%0.297SS..Hα-helixtrans-87-5.617775.10000113.8H270 P271H270-S274 PolarHBondContact O-N 3.15Å; H270-S274 PolarHBondContact O-OG 3.4Å; P271-S274 WeakPolarHBondContact CA-OG 3.18Å
275Q93.9Very high95.8Very high69 Ų6956.5 Ų56.532%0.32230%0.297SS..SBendtrans-66.6163171.462.6179.1-25.900111.9P271 F272 L277P271-Q275 PolarHBondContact O-N 3Å; F272-Q275 WeakPolarHBondContact O-CG 3.41Å; F272-Q275 PolarHBondContact O-NE2 3.46Å; Q275-L277 HydrophobicContact CG-CD1 3.96Å; Q275-L277 HydrophobicContact CG-CD2 4.06Å; Q275-L277 HydrophobicContact CG-CG 3.88Å; Q275-L277 PolarHBondContact O-N 3.2Å; Q275-L277 VanDerWaalsContact O-N 3.1Å
276P94.1Very high95.6Very high134 Ų13452.3 Ų52.387%0.8728%0.278SS*.  trans-61.6112.5175.8-22.334.6000111.6
277L94.9Very high95.3Very high17 Ų1750.5 Ų50.59%0.08927%0.274CS..  trans-136.7132.2179-56.7157.2000109.3A114 Y115 R118 Q275 L281A114-L277 HydrophobicContact CB-CD1 3.79Å; A114-L277 HydrophobicContact CB-CD2 3.95Å; Y115-L277 HydrophobicContact CD2-CB 4.16Å; R118-L277 PolarHBondContact NH1-O 2.75Å; R118-L277 PolarHBondContact NH2-O 2.98Å; R118-L277 VanDerWaalsContact NH2-O 3.17Å; Q275-L277 HydrophobicContact CG-CD1 3.96Å; Q275-L277 HydrophobicContact CG-CD2 4.06Å; Q275-L277 HydrophobicContact CG-CG 3.88Å; Q275-L277 PolarHBondContact O-N 3.2Å; Q275-L277 VanDerWaalsContact O-N 3.1Å; L277-L281 HydrophobicContact CB-CD1 4.29Å; L277-L281 HydrophobicContact CD2-CD1 3.76Å
278S93.9Very high94.7Very high56 Ų5654.3 Ų54.339%0.39229%0.291SS..  trans-120.4163.6179.670.50000111.5T280 L281S278-T280 PolarHBondContact O-N 3.04Å; S278-T280 VanDerWaalsContact O-N 3.11Å; S278-T280 VanDerWaalsContact OG-CB 3.31Å; S278-T280 WeakPolarHBondContact OG-CB 3.12Å; S278-T280 PolarHBondContact OG-N 3.01Å; S278-T280 PolarHBondContact OG-OG1 3.47Å; S278-L281 PolarHBondContact O-N 3.49Å
279R94.5Very high94.2Very high106 Ų10653.8 Ų53.840%0.429%0.29SS..THydrogen-bonded Turntrans-61-14171.673.8-176.7-172.1-177.12.4113.8N147 Y149 L281 A282 I283N147-R279 WeakPolarHBondContact O-CD 3.46Å; Y149-R279 PolarHBondContact OH-NH1 2.86Å; R279-L281 PolarHBondContact O-N 2.91Å; R279-A282 WeakPolarHBondContact O-CB 3.43Å; R279-A282 PolarHBondContact O-N 3.09Å; R279-I283 HydrophobicContact CG-CD1 4.14Å; R279-I283 WeakPolarHBondContact O-CG1 3.35Å; R279-I283 PolarHBondContact O-N 3.36Å
280T94.7Very high93.4Very high71 Ų7153.1 Ų53.144%0.43629%0.291SS..Hα-helixtrans-56.6-38.7176.2-41.70000111S278 A282 I283 E284S278-T280 PolarHBondContact O-N 3.04Å; S278-T280 VanDerWaalsContact O-N 3.11Å; S278-T280 VanDerWaalsContact OG-CB 3.31Å; S278-T280 WeakPolarHBondContact OG-CB 3.12Å; S278-T280 PolarHBondContact OG-N 3.01Å; S278-T280 PolarHBondContact OG-OG1 3.47Å; T280-A282 PolarHBondContact O-N 2.83Å; T280-I283 CarbonylContact O-C 3.58Å; T280-I283 PolarHBondContact O-N 3.2Å; T280-E284 VanDerWaalsContact O-CG 3.31Å; T280-E284 WeakPolarHBondContact O-CG 3.31Å; T280-E284 PolarHBondContact O-N 3.43Å
281L96.3Very high92.4Very high26 Ų2656.1 Ų56.114%0.13631%0.308CS..Hα-helixtrans-59.3-33.1176.1-65165.3000113Q112 L277 S278 R279 L285Q112-L281 HydrophobicContact CG-CB 4.08Å; Q112-L281 WeakPolarHBondContact CG-O 3.42Å; Q112-L281 PolarHBondContact NE2-O 2.99Å; Q112-L281 VanDerWaalsContact NE2-O 3.16Å; L277-L281 HydrophobicContact CB-CD1 4.29Å; L277-L281 HydrophobicContact CD2-CD1 3.76Å; S278-L281 PolarHBondContact O-N 3.49Å; R279-L281 PolarHBondContact O-N 2.91Å; L281-L285 PolarHBondContact O-N 3.17Å
282A95Very high90.5Very high0 Ų055.9 Ų55.90%031%0.306CS..Hα-helixtrans-81.7-33.7175.200000112.3Y115 M116 L144 G148 R279 T280 L285 L286Y115-A282 HydrophobicContact CD1-CB 3.99Å; Y115-A282 HydrophobicContact CE1-CB 3.66Å; M116-A282 HydrophobicContact CE-CB 3.73Å; L144-A282 HydrophobicContact CD1-CB 4.2Å; G148-A282 VanDerWaalsContact O-CB 3.26Å; G148-A282 WeakPolarHBondContact O-CB 3.49Å; R279-A282 WeakPolarHBondContact O-CB 3.43Å; R279-A282 PolarHBondContact O-N 3.09Å; T280-A282 PolarHBondContact O-N 2.83Å; A282-L285 WeakPolarHBondContact O-CB 3.26Å; A282-L285 PolarHBondContact O-N 2.9Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.31Å; A282-L286 PolarHBondContact O-N 2.89Å
283I94.8Very high88.1Confident52 Ų5262.3 Ų62.327%0.26734%0.341SS..Hα-helixtrans-65.1-47.4172.9-64.5168.1000110R279 T280 L285 L286 D287R279-I283 HydrophobicContact CG-CD1 4.14Å; R279-I283 WeakPolarHBondContact O-CG1 3.35Å; R279-I283 PolarHBondContact O-N 3.36Å; T280-I283 CarbonylContact O-C 3.58Å; T280-I283 PolarHBondContact O-N 3.2Å; I283-L285 PolarHBondContact O-N 2.84Å; I283-L286 CarbonylContact O-C 3.48Å; I283-L286 WeakPolarHBondContact O-CA 3.05Å; I283-L286 WeakPolarHBondContact O-CB 3.43Å; I283-L286 PolarHBondContact O-N 2.86Å; I283-D287 VanDerWaalsContact O-CG 3.3Å; I283-D287 PolarHBondContact O-N 3.26Å
284E92.6Very high85.4Confident97 Ų9768.3 Ų68.345%0.45337%0.368SS..Hα-helixtrans-53.9-37.2172.5-71.1161.1-156.200112.5T280 K288T280-E284 VanDerWaalsContact O-CG 3.31Å; T280-E284 WeakPolarHBondContact O-CG 3.31Å; T280-E284 PolarHBondContact O-N 3.43Å; E284-K288 WeakPolarHBondContact O-CB 3.43Å; E284-K288 PolarHBondContact O-N 3.14Å
285L92.8Very high82.7Confident2 Ų268.5 Ų68.51%0.0137%0.37CS..Hα-helixtrans-71.8-40.5176.8-169.169.1000111.9I101 T105 L108 M116 L281 A282 I283 K288 S289I101-L285 HydrophobicContact CG2-CD1 4.21Å; I101-L285 HydrophobicContact CG2-CD2 3.71Å; I101-L285 HydrophobicContact CG2-CG 3.61Å; T105-L285 HydrophobicContact CG2-CD1 3.95Å; T105-L285 HydrophobicContact CG2-CG 4.44Å; L108-L285 HydrophobicContact CD1-CD1 4.18Å; L108-L285 HydrophobicContact CD1-CD2 4.18Å; L108-L285 HydrophobicContact CD2-CD2 3.73Å; L108-L285 HydrophobicContact CG-CD1 3.98Å; L108-L285 HydrophobicContact CG-CD2 3.82Å; M116-L285 HydrophobicContact CE-CD2 3.83Å; L281-L285 PolarHBondContact O-N 3.17Å; A282-L285 WeakPolarHBondContact O-CB 3.26Å; A282-L285 PolarHBondContact O-N 2.9Å; I283-L285 PolarHBondContact O-N 2.84Å; L285-K288 PolarHBondContact O-N 2.79Å; L285-S289 WeakPolarHBondContact O-CB 3.45Å; L285-S289 PolarHBondContact O-N 3.03Å
286L93.2Very high80.3Confident7 Ų771 Ų714%0.03739%0.39CS..Hα-helixtrans-66.4-41.9174.2-70.7168.4000111.5I101 L144 T145 A282 I283 K288 S289 N290I101-L286 HydrophobicContact CD1-CD2 3.94Å; L144-L286 HydrophobicContact CB-CD1 4.44Å; L144-L286 HydrophobicContact CB-CD2 4.19Å; L144-L286 HydrophobicContact CD1-CD1 4.34Å; L144-L286 HydrophobicContact CD1-CD2 4.04Å; L144-L286 HydrophobicContact CD1-CG 4.01Å; T145-L286 WeakPolarHBondContact O-CD1 3.43Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.31Å; A282-L286 PolarHBondContact O-N 2.89Å; I283-L286 CarbonylContact O-C 3.48Å; I283-L286 WeakPolarHBondContact O-CA 3.05Å; I283-L286 WeakPolarHBondContact O-CB 3.43Å; I283-L286 PolarHBondContact O-N 2.86Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.85Å; L286-S289 CarbonylContact O-C 3.55Å; L286-S289 WeakPolarHBondContact O-CB 3.41Å; L286-S289 PolarHBondContact O-N 3.38Å; L286-S289 VanDerWaalsContact O-N 3.1Å; L286-N290 VanDerWaalsContact O-CB 3.29Å; L286-N290 WeakPolarHBondContact O-CB 3Å; L286-N290 PolarHBondContact O-N 3.24Å; L286-N290 PolarHBondContact O-ND2 2.81Å; L286-N290 VanDerWaalsContact O-ND2 3.11Å
287D89.3Confident77.4Confident94 Ų9474 Ų7450%0.50339%0.385SS..Hα-helixtrans-61.6-43.7175.6-68.1-25.8000110.6I283 S289 N290 N291I283-D287 VanDerWaalsContact O-CG 3.3Å; I283-D287 PolarHBondContact O-N 3.26Å; D287-S289 VanDerWaalsContact C-N 3.31Å; D287-S289 PolarHBondContact O-N 3.1Å; D287-N290 PolarHBondContact O-N 3.27Å; D287-N291 WeakPolarHBondContact O-CA 3.39Å; D287-N291 WeakPolarHBondContact O-CB 3.45Å; D287-N291 PolarHBondContact O-N 2.88Å
288K86.6Confident74.3Confident82 Ų8280.5 Ų80.536%0.35742%0.42SS..Hα-helixtrans-64.3-33.3172.5-167-177.3-178.3-161.80112.9T105 E284 L285 L286 P292T105-K288 HydrophobicContact CG2-CB 4.15Å; T105-K288 HydrophobicContact CG2-CD 4.34Å; T105-K288 HydrophobicContact CG2-CG 4.19Å; T105-K288 WeakPolarHBondContact O-CE 3.49Å; T105-K288 PolarHBondContact O-NZ 2.9Å; E284-K288 WeakPolarHBondContact O-CB 3.43Å; E284-K288 PolarHBondContact O-N 3.14Å; L285-K288 PolarHBondContact O-N 2.79Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.85Å; K288-P292 VanDerWaalsContact O-CA 3.3Å; K288-P292 WeakPolarHBondContact O-CA 3.43Å
289S86.6Confident71.4Confident25 Ų2584.2 Ų84.218%0.17544%0.435CS..Hα-helixtrans-75.2-34.9177.4-167.90000112.8L285 L286 D287L285-S289 WeakPolarHBondContact O-CB 3.45Å; L285-S289 PolarHBondContact O-N 3.03Å; L286-S289 CarbonylContact O-C 3.55Å; L286-S289 WeakPolarHBondContact O-CB 3.41Å; L286-S289 PolarHBondContact O-N 3.38Å; L286-S289 VanDerWaalsContact O-N 3.1Å; D287-S289 VanDerWaalsContact C-N 3.31Å; D287-S289 PolarHBondContact O-N 3.1Å
290N81.1Confident68.3Low126 Ų12688.5 Ų88.567%0.67446%0.457SS*.Hα-helixtrans-82.9-28.2179.9-71-34.4000112.2L286 D287 P292L286-N290 VanDerWaalsContact O-CB 3.29Å; L286-N290 WeakPolarHBondContact O-CB 3Å; L286-N290 PolarHBondContact O-N 3.24Å; L286-N290 PolarHBondContact O-ND2 2.81Å; L286-N290 VanDerWaalsContact O-ND2 3.11Å; D287-N290 PolarHBondContact O-N 3.27Å; N290-P292 VanDerWaalsContact C-CD 3.48Å
291N77.7Confident65.6Low75 Ų7592.9 Ų92.940%0.40148%0.478SS..  trans-13261.7-176.4-158.44.6000111.2D287 D293 H294D287-N291 WeakPolarHBondContact O-CA 3.39Å; D287-N291 WeakPolarHBondContact O-CB 3.45Å; D287-N291 PolarHBondContact O-N 2.88Å; N291-D293 PolarHBondContact O-N 2.76Å; N291-D293 VanDerWaalsContact O-N 3.09Å; N291-H294 HydrophobicContact CB-CB 4.36Å; N291-H294 WeakPolarHBondContact ND2-CB 3.21Å; N291-H294 PolarHBondContact ND2-CD2 3.29Å; N291-H294 PolarHBondContact O-N 2.88Å; N291-H294 VanDerWaalsContact O-N 3.16Å
292P58.5Low62.6Low59 Ų5999.3 Ų99.338%0.38351%0.513SS..THydrogen-bonded Turntrans-63.7-16.5-173.627-36.2000114.1V104 K288 N290V104-P292 HydrophobicContact CG1-CB 4.3Å; K288-P292 VanDerWaalsContact O-CA 3.3Å; K288-P292 WeakPolarHBondContact O-CA 3.43Å; N290-P292 VanDerWaalsContact C-CD 3.48Å
293D45.8Very low60Low137 Ų137107 Ų10773%0.73355%0.554SS**THydrogen-bonded Turntrans-83.9-10.2179.6-62-51.8000113.7N291N291-D293 PolarHBondContact O-N 2.76Å; N291-D293 VanDerWaalsContact O-N 3.09Å
294H42.4Very low56.9Low127 Ų127113.5 Ų113.559%0.58858%0.583SS**  trans-104.7-0.1-163.9-135.6-67.4000116N291 T296N291-H294 HydrophobicContact CB-CB 4.36Å; N291-H294 WeakPolarHBondContact ND2-CB 3.21Å; N291-H294 PolarHBondContact ND2-CD2 3.29Å; N291-H294 PolarHBondContact O-N 2.88Å; N291-H294 VanDerWaalsContact O-N 3.16Å; H294-T296 PolarHBondContact O-N 3.17Å
295S38.3Very low54.4Low77 Ų77114.7 Ų114.754%0.53860%0.599SS.*THydrogen-bonded Turntrans-82.443.2-170.275.60000115.2
296T43.4Very low51.5Low122 Ų122123.7 Ų123.775%0.74864%0.641SS**THydrogen-bonded Turntrans-146.624.5174.5-23.50000116H294H294-T296 PolarHBondContact O-N 3.17Å
297Y32.8Very low48.8Very low195 Ų195128.7 Ų128.777%0.76567%0.674SS**  trans-138.7109.3165.2-89-88000110.6
298N29.4Very low46.2Very low154 Ų154133.6 Ų133.682%0.82469%0.694SS**  trans-109.5115.3150.6-92.8-6.9000105.3F300N298-F300 PolarHBondContact O-N 2.88Å
299D34.2Very low43.4Very low134 Ų134134.8 Ų134.872%0.71771%0.713SS**  trans-59.1127171.4-71.4-43.1000110
300F29.4Very low41Very low197 Ų197139.5 Ų139.586%0.86474%0.743SS**  trans-121.5114143.3-85-83.2000105.6N298 D302N298-F300 PolarHBondContact O-N 2.88Å; F300-D302 PolarHBondContact O-N 2.98Å
301D37.7Very low38.7Very low162 Ų162140 Ų14087%0.86675%0.75SS**  trans-55.3124.4172.4-61.5-67000110.1
302D33.5Very low36.8Very low161 Ų161141.7 Ų141.786%0.86177%0.768SS**  trans-152.1135.2145.5-143-7.4000108.8F300 E304F300-D302 PolarHBondContact O-N 2.98Å; D302-E304 PolarHBondContact O-N 3.14Å
303D38.8Very low36.1Very low162 Ų162141.2 Ų141.287%0.86676%0.764SS**  trans-80.2113.8-162.4-73.8-66.8000113.9
304E30.3Very low36.6Very low189 Ų189137.6 Ų137.688%0.88375%0.747SS**  trans-155.8128.3150.5-145.2172.6-17100113.2D302D302-E304 PolarHBondContact O-N 3.14Å
305P41.1Very low37.9Very low122 Ų122137.5 Ų137.579%0.79275%0.747SS**  trans-101.6110.4-173.335.6-31.2000114.2
306E30.6Very low39.9Very low191 Ų191138.6 Ų138.689%0.89374%0.739SS**  trans-153.1167.2158.4-110.2-153.5-174.200112.1
307P37.6Very low41.9Very low111 Ų111133.3 Ų133.372%0.72171%0.706SS**  -90.8163.9-117.435-40000117S309P307-S309 PolarHBondContact O-N 2.9Å
308E33.6Very low44.4Very low198 Ų198132.9 Ų132.993%0.92570%0.703SS**  trans-40.9121.9-179.2-61.1-179166.500114.7
309S27.6Very low46.9Very low107 Ų107126.3 Ų126.375%0.74867%0.67SS**  trans-95.1140.8167.278.30000110.6P307P307-S309 PolarHBondContact O-N 2.9Å
310P37.6Very low48.9Very low124 Ų124123.3 Ų123.381%0.80566%0.656SS**  trans-74.3134.9-170.828.9-34.7000112.3S312P310-S312 PolarHBondContact O-N 2.71Å
311V32.6Very low50Low135 Ų135118.3 Ų118.382%0.81865%0.646SS**  trans-44.3121.6177.2-174.20000111.8V313V311-V313 PolarHBondContact O-N 3.21Å; V311-V313 VanDerWaalsContact O-N 3.13Å
312S37.3Very low50.3Low112 Ų112121.5 Ų121.578%0.78365%0.646SS**  trans-72.4103.7176.954.40000111P310P310-S312 PolarHBondContact O-N 2.71Å
313V44Very low50.3Low49 Ų49118.5 Ų118.530%0.29764%0.637SS.*  trans-66.3134.3-180178.10000111.1V311 I317 L636 E660 Y663V311-V313 PolarHBondContact O-N 3.21Å; V311-V313 VanDerWaalsContact O-N 3.13Å; V313-I317 HydrophobicContact CG1-CD1 3.99Å; V313-L636 HydrophobicContact CG1-CD2 3.9Å; V313-E660 HydrophobicContact CB-CB 4.46Å; V313-E660 HydrophobicContact CB-CG 4.31Å; V313-E660 HydrophobicContact CG2-CG 3.9Å; V313-Y663 WeakPolarHBondContact CG1-OH 3.33Å
314P57Low49.9Very low60 Ų60115.9 Ų115.939%0.3963%0.627SS.*  trans-60.4150.6-176.4-27.335.8000115R316 I317P314-R316 VanDerWaalsContact C-N 3.26Å; P314-R316 WeakPolarHBondContact CB-O 3.31Å; P314-R316 PolarHBondContact O-N 2.97Å; P314-I317 HydrophobicContact CB-CG1 4.47Å
315H68.8Low50.1Low125 Ų125119.4 Ų119.458%0.57963%0.632SS**SBendtrans-69.8-21.8172-73.772.8000112.8Q677H315-Q677 WeakPolarHBondContact O-CB 3.09Å; H315-Q677 PolarHBondContact O-N 2.78Å
316R80.9Confident49.8Very low100 Ų100121.2 Ų121.238%0.37763%0.63SS.*EExtended strand (participates in β ladder)trans-135.7124.3173.3-173.9166.4-178.6166-7.4108.8P314 E672 T674 M675 E676P314-R316 VanDerWaalsContact C-N 3.26Å; P314-R316 WeakPolarHBondContact CB-O 3.31Å; P314-R316 PolarHBondContact O-N 2.97Å; R316-E672 IonicContact CZ-OE2 3.17Å; R316-E672 IonicContact NH2-OE2 2.81Å; R316-E672 PolarHBondContact NH2-OE2 3.14Å; R316-T674 HydrophobicContact CG-CG2 4.28Å; R316-T674 VanDerWaalsContact CZ-OG1 3.24Å; R316-T674 VanDerWaalsContact NE-CB 3.35Å; R316-T674 PolarHBondContact NE-OG1 2.95Å; R316-T674 PolarHBondContact NH2-OG1 3.22Å; R316-M675 CarbonylContact C-O 3.46Å; R316-M675 VanDerWaalsContact CA-O 3.31Å; R316-M675 WeakPolarHBondContact CA-O 3.26Å; R316-E676 VanDerWaalsContact CD-OE1 3.29Å; R316-E676 WeakPolarHBondContact CD-OE1 3.32Å; R316-E676 HydrophobicContact CG-CG 4.19Å; R316-E676 IonicContact CZ-OE1 3.51Å; R316-E676 IonicContact NE-OE1 2.67Å; R316-E676 PolarHBondContact NE-OE1 3.07Å; R316-E676 IonicContact NH1-OE1 2.68Å; R316-E676 PolarHBondContact NH1-OE1 2.87Å
317I85.8Confident50.1Low11 Ų11115.6 Ų115.66%0.05662%0.623CS.*EExtended strand (participates in β ladder)trans-110.5121.6-174.5-60.1175.4000107.9V313 P314 F631 P635 L636 Y663 T674 M675V313-I317 HydrophobicContact CG1-CD1 3.99Å; P314-I317 HydrophobicContact CB-CG1 4.47Å; I317-F631 HydrophobicContact CG2-CZ 4.14Å; I317-P635 HydrophobicContact CD1-CG 4.36Å; I317-P635 HydrophobicContact CG2-CG 3.92Å; I317-L636 HydrophobicContact CD1-CD1 3.84Å; I317-L636 HydrophobicContact CD1-CD2 3.58Å; I317-L636 HydrophobicContact CD1-CG 3.62Å; I317-Y663 HydrophobicContact CD1-CD1 4.29Å; I317-Y663 HydrophobicContact CD1-CE1 3.69Å; I317-Y663 HydrophobicContact CG1-CE1 4.26Å; I317-T674 CarbonylContact O-C 3.48Å; I317-T674 VanDerWaalsContact O-CA 3.28Å; I317-T674 WeakPolarHBondContact O-CA 3.43Å; I317-M675 HydrophobicContact CB-CB 4.47Å; I317-M675 PolarHBondContact N-O 3.32Å; I317-M675 PolarHBondContact O-N 3.38Å
318R84.9Confident50.1Low187 Ų187117.5 Ų117.571%0.70662%0.62SS**EExtended strand (participates in β ladder)trans-87.7136.5176.2-54-165.8172.4171.7-1.5110.1T673 T674R318-T673 CarbonylContact C-O 3.56Å; R318-T674 HydrophobicContact CB-CG2 4.4Å; R318-T674 HydrophobicContact CG-CG2 3.83Å
319S81.2Confident50.6Low16 Ų16109.3 Ų109.311%0.11258%0.584CS.*PPolyproline II helixtrans-69.9134.6171.9137.30000108.3S321 F631 N632 T673S319-S321 PolarHBondContact O-N 2.76Å; S319-F631 VanDerWaalsContact CB-CE2 3.48Å; S319-F631 VanDerWaalsContact CB-CZ 3.48Å; S319-N632 CarbonylContact C-O 3.53Å; S319-N632 VanDerWaalsContact CA-O 3.28Å; S319-N632 WeakPolarHBondContact CA-O 3.39Å; S319-N632 WeakPolarHBondContact CB-O 2.94Å; S319-N632 WeakPolarHBondContact OG-CB 3.3Å; S319-N632 PolarHBondContact OG-N 3.4Å; S319-T673 WeakPolarHBondContact CB-O 3.46Å; S319-T673 PolarHBondContact N-O 3.34Å
320T77.1Confident51Low71 Ų71111 Ų11144%0.43658%0.583SS.*PPolyproline II helixtrans-61.4123.1-176.452.10000109.9N632T320-N632 PolarHBondContact N-O 3.18Å; T320-N632 PolarHBondContact O-ND2 3.49Å; T320-N632 PolarHBondContact OG1-ND2 2.85Å; T320-N632 PolarHBondContact OG1-O 2.97Å
321S51.6Low51.3Low92 Ų92108.7 Ų108.764%0.64357%0.57SS**PPolyproline II helixtrans-65153.8-176.456.40000111.1S319 S323S319-S321 PolarHBondContact O-N 2.76Å; S321-S323 VanDerWaalsContact C-N 3.28Å; S321-S323 PolarHBondContact O-N 2.65Å
322R45.1Very low51.7Low229 Ų229105.1 Ų105.186%0.86455%0.545SS*.SBendtrans-69.180.2177.5-89.8179.2155.8169.9-4111
323S33.8Very low52Low97 Ų97104 Ų10468%0.67853%0.529SS*.  trans-142.946.817572.80000115.3S321S321-S323 VanDerWaalsContact C-N 3.28Å; S321-S323 PolarHBondContact O-N 2.65Å
324T29.2Very low51.5Low107 Ų107107.2 Ų107.266%0.65655%0.545SS*.  trans-130.2142.1152.146.40000110.2E326T324-E326 PolarHBondContact O-N 3.18Å
325R34.6Very low50.6Low264 Ų264112.4 Ų112.4100%0.99656%0.561SS**  trans-80.459.6170.2-79.7-178.5167.4179.5-3.3110
326E35.1Very low48.8Very low159 Ų159109.6 Ų109.674%0.74357%0.567SS**PPolyproline II helixtrans-103.6147.3170-70.3178.2159.600109.4T324 K328T324-E326 PolarHBondContact O-N 3.18Å; E326-K328 PolarHBondContact O-N 2.85Å
327G36.4Very low46.4Very low73 Ų73113.7 Ų113.775%0.75359%0.59SS**PPolyproline II helixtrans-59.5127.5-158.500000114T329G327-T329 PolarHBondContact O-N 2.89Å
328K37.7Very low43.7Very low151 Ų151117.5 Ų117.566%0.65761%0.613SS**PPolyproline II helixtrans-55.2129.1160.2-63.5177.9-179.3178.10107.8E326 E332 I333E326-K328 PolarHBondContact O-N 2.85Å; K328-E332 HydrophobicContact CB-CB 4.31Å; K328-I333 HydrophobicContact CB-CD1 4.13Å; K328-I333 HydrophobicContact CB-CG1 3.77Å; K328-I333 VanDerWaalsContact O-CD1 3.26Å; K328-I333 WeakPolarHBondContact O-CD1 3.18Å
329T45.4Very low40.8Very low26 Ų26118 Ų11816%0.1662%0.621CS.*PPolyproline II helixtrans-74.4162.4177.352.30000110.7G327 S331 E332 I333G327-T329 PolarHBondContact O-N 2.89Å; T329-S331 WeakPolarHBondContact CB-OG 3.48Å; T329-S331 PolarHBondContact O-N 2.96Å; T329-S331 PolarHBondContact OG1-OG 2.82Å; T329-E332 CarbonylContact O-C 3.52Å; T329-E332 WeakPolarHBondContact O-CA 3.41Å; T329-E332 PolarHBondContact O-N 2.86Å; T329-I333 VanDerWaalsContact O-CG1 3.31Å; T329-I333 WeakPolarHBondContact O-CG1 3.27Å; T329-I333 PolarHBondContact O-N 3.48Å
330L35.9Very low38.5Very low142 Ų142125.9 Ų125.974%0.74365%0.653SS**Hα-helixtrans-56.7-31.9174.9-78.9161000112.2E332 I333L330-E332 VanDerWaalsContact C-N 3.27Å; L330-E332 PolarHBondContact O-N 2.85Å; L330-I333 PolarHBondContact O-N 2.91Å
331S42.4Very low36.1Very low76 Ų76129.2 Ų129.253%0.53167%0.668SS.*Hα-helixtrans-64.3-21.7170.640.80000114.5T329 D933T329-S331 WeakPolarHBondContact CB-OG 3.48Å; T329-S331 PolarHBondContact O-N 2.96Å; T329-S331 PolarHBondContact OG1-OG 2.82Å; S331-D933 PolarHBondContact OG-OD2 2.84Å
332E42.2Very low35Very low60 Ų60130.6 Ų130.628%0.2868%0.675SS.*Hα-helixtrans-100.9-12.6174.6-67.2-176171.600113.8K328 T329 L330 K629K328-E332 HydrophobicContact CB-CB 4.31Å; T329-E332 CarbonylContact O-C 3.52Å; T329-E332 WeakPolarHBondContact O-CA 3.41Å; T329-E332 PolarHBondContact O-N 2.86Å; L330-E332 VanDerWaalsContact C-N 3.27Å; L330-E332 PolarHBondContact O-N 2.85Å; E332-K629 IonicContact OE1-NZ 2.73Å; E332-K629 PolarHBondContact OE1-NZ 2.97Å
333I43.1Very low34Very low89 Ų89128 Ų12846%0.45668%0.678SS.*Hα-helixtrans-88.9-23.1-172.3-73167.1000113.5K328 T329 L330 F335K328-I333 HydrophobicContact CB-CD1 4.13Å; K328-I333 HydrophobicContact CB-CG1 3.77Å; K328-I333 VanDerWaalsContact O-CD1 3.26Å; K328-I333 WeakPolarHBondContact O-CD1 3.18Å; T329-I333 VanDerWaalsContact O-CG1 3.31Å; T329-I333 WeakPolarHBondContact O-CG1 3.27Å; T329-I333 PolarHBondContact O-N 3.48Å; L330-I333 PolarHBondContact O-N 2.91Å; I333-F335 PolarHBondContact O-N 3.11Å
334N34.1Very low33.7Very low117 Ų117131.7 Ų131.763%0.62669%0.689SS**THydrogen-bonded Turntrans-74.230.8-175.7-81.5-13.9000116
335F37.9Very low33.5Very low168 Ų168137.9 Ų137.974%0.73770%0.7SS**THydrogen-bonded Turntrans-101.7-9.5174.8-103.2-88.9000114.8I333 P619I333-F335 PolarHBondContact O-N 3.11Å; F335-P619 HydrophobicContact CE1-CG 3.89Å
336G30.3Very low33.3Very low67 Ų67134.7 Ų134.769%0.69169%0.694SS**SBendtrans-128.6-20.7-168.900000117.9
337Q30.4Very low33Very low186 Ų186136.2 Ų136.287%0.86970%0.701SS**  trans-145.181.4-175.1-71.3-172.9-14.600112.4
338V28.7Very low32.7Very low90 Ų90139 Ų13955%0.54570%0.703SS.*  trans-108.498.9155.2-177.40000107.2F340V338-F340 HydrophobicContact CG1-CD1 4.37Å; V338-F340 HydrophobicContact CG1-CD2 4.23Å; V338-F340 HydrophobicContact CG1-CE1 4.08Å; V338-F340 HydrophobicContact CG1-CE2 3.93Å; V338-F340 HydrophobicContact CG1-CG 4.44Å; V338-F340 HydrophobicContact CG1-CZ 3.85Å
339K25.5Very low32.1Very low198 Ų198139.8 Ų139.886%0.86171%0.709SS**  trans-74.6120.7158.2-93.9-173.3171.9-175.10106.9
340F32.4Very low31.3Very low181 Ų181144 Ų14479%0.79474%0.737SS**  trans-81.7113.3164.1-66.1-84.3000108.1V338V338-F340 HydrophobicContact CG1-CD1 4.37Å; V338-F340 HydrophobicContact CG1-CD2 4.23Å; V338-F340 HydrophobicContact CG1-CE1 4.08Å; V338-F340 HydrophobicContact CG1-CE2 3.93Å; V338-F340 HydrophobicContact CG1-CG 4.44Å; V338-F340 HydrophobicContact CG1-CZ 3.85Å
341D26.8Very low30.8Very low141 Ų141145.4 Ų145.475%0.75474%0.74SS**PPolyproline II helixtrans-70.6150.3158.2-74.7-38.8000109.1
342P28.4Very low30.2Very low121 Ų121150.5 Ų150.579%0.78676%0.755SS**PPolyproline II helixtrans-62.2144.8-178.1-21.733.6000112.3L344P342-L344 PolarHBondContact O-N 2.88Å; P342-L344 VanDerWaalsContact O-N 3.16Å
343L24.3Very low29.4Very low175 Ų175156.9 Ų156.992%0.91678%0.784SS**PPolyproline II helixtrans-47.2117.3-179.5-69.1162.1000112.6
344L25.9Very low28.8Very low175 Ų175158.4 Ų158.492%0.91680%0.8SS**PPolyproline II helixtrans-64.9133.2157.3-81.6168000108.6P342P342-L344 PolarHBondContact O-N 2.88Å; P342-L344 VanDerWaalsContact O-N 3.16Å
345R26.8Very low28.2Very low237 Ų237158.2 Ų158.289%0.89481%0.807SS**PPolyproline II helixtrans-62.9147.5-171.8-70.8174.3169.6147.9-5.7111.4E347R345-E347 PolarHBondContact O-N 3.36Å
346K30.4Very low27.6Very low196 Ų196157.1 Ų157.185%0.85281%0.809SS**PPolyproline II helixtrans-67.4120.1160.5-65.3178.6177.4-178.30108.5
347E28.2Very low27.5Very low192 Ų192159.7 Ų159.790%0.89782%0.816SS**SBendtrans-83.7109.7142.1-66.2178.1169.200104R345R345-E347 PolarHBondContact O-N 3.36Å
348T30.1Very low27.3Very low130 Ų130159.3 Ų159.380%0.79881%0.814SS**  -139.9129.36536.90000112.9
349E25.4Very low27.8Very low168 Ų168159.7 Ų159.779%0.78582%0.819SS**PPolyproline II helixtrans-83.8131.9162.1-70.8-171.6160.300109.8
350P27.5Very low27.9Very low116 Ų116160.1 Ų160.175%0.75382%0.816SS**PPolyproline II helixtrans-83.8120.6156.430.8-25.7000109.2
351H26.8Very low27.6Very low171 Ų171157.4 Ų157.479%0.79281%0.809SS**PPolyproline II helixtrans-62.4142.2169.5-71.5-79000111
352H28.7Very low27.7Very low183 Ų183156.8 Ų156.885%0.84781%0.806SS**  trans-134.3110.5163.9-99.630.3000109.6
353E25.4Very low27.5Very low193 Ų193156.2 Ų156.290%0.90280%0.803SS**  trans-89.3144.7148.8-71.9-168.5139.800108.3
354P30.6Very low27.6Very low121 Ų121153.7 Ų153.779%0.78680%0.795SS**  trans-103.4132.2177.135.6-28.6000112.7
355C21.8Very low27.6Very low114 Ų114153.8 Ų153.877%0.7779%0.791SS**  trans-170126.4143.6-118.60000113.6
356D24.5Very low27.5Very low145 Ų145151.6 Ų151.678%0.77579%0.791SS**  trans53141.8138.2-58.7-16.7000125
357S28.6Very low27.3Very low120 Ų120149.7 Ų149.784%0.83979%0.789SS**  trans97.1106.4150.366.10000121.8
358E25.6Very low27.1Very low179 Ų179150.3 Ų150.384%0.83679%0.785SS**  trans-36.7174.2149.4-66.6-91.913800116.9
359P39.9Very low26.8Very low98 Ų98154.7 Ų154.764%0.63679%0.788SS**  cis-138.8-166.1-24.934.6-13.5000114.5
360Y27.9Very low26.9Very low207 Ų207153.8 Ų153.881%0.81279%0.794SS**  trans72.9142.4161.4-98.2-133.2000117.4
361L27.1Very low26.8Very low123 Ų123152.5 Ų152.564%0.64479%0.794SS**  cis-159.5162.5-8.8-135.9-169.2000109.9
362D27.3Very low26.8Very low128 Ų128156.3 Ų156.368%0.68480%0.801SS**  trans81.8107.4154.2-104.82.8000123.6
363C25.4Very low26.6Very low109 Ų109153 Ų15374%0.73680%0.798SS**  62.5133.5128.4-71.90000121.1
364V26.1Very low26.8Very low123 Ų123151.8 Ų151.875%0.74580%0.798SS**  cis-141.2158.921.1179.70000111.8
365E26.2Very low26.6Very low177 Ų177153.9 Ų153.983%0.82780%0.802SS**  trans-27.3156.9169.1-57.3160.5133.200117.2
366E25.2Very low27Very low191 Ų191155 Ų15589%0.89380%0.8SS**  cis-163.5133.337.5-166.4-180-149.400110.5
367L24.9Very low26.9Very low155 Ų155155.2 Ų155.281%0.81280%0.801SS**  trans-151.2143174.8-113.8170.9000111.5
368Y24.9Very low26.8Very low205 Ų205157 Ų15780%0.80480%0.795SS**  trans73.893.2-177.1-66.5-83.9000118.3
369Y23.7Very low26.9Very low223 Ų223154.7 Ų154.788%0.87579%0.788SS**  -154.9122.6125.7-103.9-73.4000110.8
370T27.2Very low26.2Very low149 Ų149157.2 Ų157.291%0.91479%0.792SS**  trans-16793.4140.83.30000112.5
371A24.9Very low26.1Very low89 Ų89158.9 Ų158.974%0.73680%0.798SS**SBendtrans-147.6112.9152.200000108.9
372R26.2Very low26Very low250 Ų250155.4 Ų155.494%0.94379%0.792SS**  trans49.1116.4170.1-71.9-179.6165.6167.7-5.4118.9
373S25.7Very low26Very low114 Ų114157.7 Ų157.780%0.79780%0.798SS**  -165.4142.7117.350.20000112.2
374N29.6Very low26Very low168 Ų168159.4 Ų159.490%0.89880%0.8SS**  trans-114.8109150.3-117.2-1.6000104
375L27Very low25.9Very low164 Ų164158.8 Ų158.886%0.85980%0.802SS**  trans-176.6155139.5-138.465.1000110.9
376D28.4Very low26.5Very low139 Ų139155.6 Ų155.674%0.74380%0.796SS**  trans-69.3159-170.6-60.3-76.3000117
377L24.3Very low26.5Very low149 Ų149151.1 Ų151.178%0.7879%0.786SS**  160110.4127.1-82.7162000107.7
378Q25.6Very low26.6Very low156 Ų156151.2 Ų151.273%0.72979%0.786SS**  98.9142.462.6-99.5-166.6-2.300113.5
379L27Very low26.7Very low131 Ų131149.4 Ų149.469%0.68679%0.789SS**  trans71.6153160.3-90.765.5000116.6
380E25.7Very low26.7Very low152 Ų152142.5 Ų142.571%0.7179%0.786SS**  cis-159.6154.78.9-148.1160.2-157.100113.7
381Y26.2Very low26.5Very low242 Ų242138.9 Ų138.995%0.94978%0.778SS**  trans173.4120.2140.5-102.8-71.3000107.2
382G25.2Very low26.6Very low50 Ų50141.9 Ų141.952%0.51578%0.782SS.*  cis172.6162.3-5.800000109.5
383H27.3Very low26.5Very low175 Ų175139.6 Ų139.681%0.8178%0.779SS**  trans76.3125.9-177.3-60.4-75.8000116.2
384D24.5Very low26.6Very low145 Ų145138.3 Ų138.378%0.77577%0.77SS**  cis-144.6166.94-88.8-37.8000113.1
385S24.5Very low26.5Very low111 Ų111137.2 Ų137.278%0.77676%0.764SS**  trans-103.5-171-176-28.50000112.5
386P39.2Very low26.5Very low109 Ų109135.8 Ų135.871%0.70876%0.756SS**  cis-138.7164.1-14.337.2-18.5000117.2
387S24.8Very low26.5Very low97 Ų97135.5 Ų135.568%0.67875%0.748SS**  trans59128.5140.568.90000123.8
388L26.9Very low26.8Very low158 Ų158134 Ų13483%0.82775%0.75SS**  177.6169.1100.8-104.9149.1000114.3
389L26.4Very low26.9Very low166 Ų166132.6 Ų132.687%0.86975%0.752SS**  trans-66.2158.6-173.5-77.475.3000114.9
390G24.4Very low26.9Very low78 Ų78135.4 Ų135.480%0.80476%0.762SS**  trans142.7123.9140.200000116.1
391G23.4Very low27.2Very low73 Ų73134.8 Ų134.875%0.75376%0.759SS**  trans-76.9165.1-178.400000116.6
392N26.4Very low27.3Very low152 Ų152131.3 Ų131.381%0.81375%0.751SS**  trans70.9133.1153.4-68-20.5000120.2
393K24.8Very low27.5Very low202 Ų202135.9 Ų135.988%0.87876%0.763SS**  trans74.2145157.4-68.6173-173.8-176.10115.6
394S28Very low27.6Very low88 Ų88135.9 Ų135.962%0.61576%0.763SS**  cis-177.1150-14.5-158.90000108.7
395L25.9Very low28Very low145 Ų145137.2 Ų137.276%0.75977%0.765SS**  trans64.7153.3152.8-68162000116.8
396L26.9Very low28.3Very low134 Ų134144 Ų14470%0.70277%0.773SS**  cis-159168.611-118.1153.6000110.9
397K28.6Very low27.8Very low133 Ų133141.4 Ų141.458%0.57877%0.767SS**  trans61.9105.4152.9-77.4-172.2174.9-1640121E401K397-E401 WeakPolarHBondContact CE-OE1 3.36Å; K397-E401 WeakPolarHBondContact CE-OE2 3.17Å; K397-E401 IonicContact NZ-OE1 2.65Å; K397-E401 PolarHBondContact NZ-OE1 3.33Å; K397-E401 IonicContact NZ-OE2 2.65Å; K397-E401 PolarHBondContact NZ-OE2 3.37Å
398S31.4Very low28.2Very low117 Ų117145.8 Ų145.882%0.81878%0.776SS**SBend-177.4131.3103.3-106.60000108.5
399V27.7Very low28.3Very low126 Ų126144 Ų14476%0.76477%0.771SS**SBendcis-143.1130.69.8174.40000109.2
400E26.4Very low28.4Very low191 Ų191140.4 Ų140.489%0.89377%0.766SS**  trans-152.977.6155.1-173.598.8-123.800106
401E31.6Very low28.5Very low138 Ų138144.7 Ų144.765%0.64576%0.764SS**  trans-149.154.1-176.1-142.7168.2-146.100112.1K397K397-E401 WeakPolarHBondContact CE-OE1 3.36Å; K397-E401 WeakPolarHBondContact CE-OE2 3.17Å; K397-E401 IonicContact NZ-OE1 2.65Å; K397-E401 PolarHBondContact NZ-OE1 3.33Å; K397-E401 IonicContact NZ-OE2 2.65Å; K397-E401 PolarHBondContact NZ-OE2 3.37Å
402E28.9Very low28.9Very low170 Ų170148.4 Ų148.479%0.79477%0.766SS**SBendtrans-162.4117.4150.8-100.6-160.3134.900106.1
403L30Very low28.9Very low145 Ų145144.1 Ų144.176%0.75976%0.758SS**  cis-142.7123.614.8-85.8149.3000111.9
404Q28.3Very low29.2Very low175 Ų175141.5 Ų141.582%0.81875%0.754SS**  trans-101.9166.7145.8-81.3178.4-2300108.9
405Q33.1Very low29.5Very low174 Ų174143.7 Ų143.781%0.81376%0.759SS**  trans78.3134.5172.6-48.2172.61400114.8
406R31.6Very low29.9Very low252 Ų252144.3 Ų144.395%0.95176%0.758SS**SBendcis-109.9142.310.1-59.4172.2175.9-178.8-3.1110.9
407G28.3Very low30.4Very low55 Ų55143.8 Ų143.857%0.56776%0.755SS**  cis160174.8-2.500000111.1
408H33.4Very low30.8Very low189 Ų189145.2 Ų145.288%0.87576%0.764SS**  trans67.7143.9177.6-57.6100.2000116.3
409V28.8Very low31Very low120 Ų120147 Ų14773%0.72777%0.765SS**  cis176.5122.1-27.4126.60000103.7
410A27.7Very low31.6Very low91 Ų91147.7 Ų147.775%0.75276%0.764SS**  trans58.7167149.400000119.1
411H28.2Very low32.1Very low168 Ų168145.8 Ų145.878%0.77876%0.76SS**  cis-144.3-172.6-3.7-158.630.1000110.8
412L30.1Very low32.3Very low151 Ų151142.3 Ų142.379%0.79176%0.761SS**  trans-58.9165174.2-57.6165.1000113.8
413G27.4Very low32.7Very low62 Ų62138.8 Ų138.864%0.63976%0.761SS**  trans138.896.4152.900000114.4
414D31.3Very low33.2Very low147 Ų147139.4 Ų139.479%0.78677%0.765SS**  45.2137.3116.3-50.1-18.4000121.5
415D34.3Very low33.6Very low135 Ų135138.3 Ų138.372%0.72277%0.765SS**  trans76.2135.7139.3-61.4-18.2000123.8
416E34Very low33.8Very low158 Ų158137.1 Ų137.174%0.73876%0.764SS**  trans75117.6138.5-72.2171.1-178.400121.7
417D37.1Very low34.1Very low122 Ų122132.2 Ų132.265%0.65275%0.752SS**  81.7133.3122.5-60.4-9000123.7
418E37.7Very low34.3Very low164 Ų164134.4 Ų134.477%0.76675%0.754SS**  trans61.1105.1135-69.4-176175.900117.3
419D35.7Very low34.3Very low155 Ų155132.9 Ų132.983%0.82975%0.747SS**  92.2169.581.4-90.2-21.5000111.7
420D39.1Very low34.3Very low140 Ų140132.2 Ų132.275%0.74974%0.744SS**  trans100.1110.9162.9-14047000118.6
421D37Very low34.6Very low150 Ų150135.4 Ų135.480%0.80274%0.743SS**  trans50.7140.5144-71-2.2000122.6
422G36.1Very low34.9Very low65 Ų65135.7 Ų135.767%0.6774%0.742SS**  cis156168.41.700000111.8
423A37.4Very low34.9Very low96 Ų96134.5 Ų134.579%0.79375%0.746SS**  trans57.6120167.300000118.4
424D41.2Very low35Very low158 Ų158136.7 Ų136.785%0.84575%0.752SS**  96.5160.856.3-84.8-30.2000114.5
425D36.5Very low34.8Very low153 Ų153135.5 Ų135.582%0.81875%0.75SS**  trans84.881.7166.8-66.6-8.7000122.1
426D37.1Very low34.6Very low148 Ų148135.9 Ų135.979%0.79175%0.75SS**  57.7140.9102.9-132.124.9000126.9
427E36.7Very low34.2Very low149 Ų149137.2 Ų137.270%0.69675%0.754SS**  trans22.7119157.1-77.2-156.4161.600128.2
428T32.4Very low33.8Very low101 Ų101143 Ų14362%0.6277%0.766SS**  88.6151.8119.272.30000126.9
429H33.7Very low33.6Very low158 Ų158140.8 Ų140.873%0.73177%0.766SS**  trans88.990.2146.2-77.2-58.4000125.7
430T30.1Very low33.3Very low106 Ų106141.1 Ų141.165%0.6576%0.761SS**  54116.212453.80000125.4
431H32.7Very low32.9Very low158 Ų158141.9 Ų141.973%0.73176%0.759SS**  trans55.2145.7133.9-67.1-31.2000122
432K35.1Very low32.9Very low173 Ų173139.9 Ų139.975%0.75276%0.755SS**  cis-167.9143.12.5-113.4168.1-170.3173.30109.7
433S29.5Very low33.1Very low127 Ų127142.7 Ų142.789%0.88876%0.761SS**  trans-168161.2149.1-90.20000114.4
434S30.2Very low33.2Very low108 Ų108144.1 Ų144.176%0.75576%0.762SS**  trans-62.9162.9-175.3-44.90000114.1
435T27Very low33.1Very low121 Ų121144.3 Ų144.374%0.74276%0.762SS**  cis-165.7148.435.8-34.20000113.5
436I29.9Very low33.5Very low144 Ų144142.8 Ų142.874%0.73876%0.761SS**  trans82.3127.1147.2-97.1160.5000122.1
437K26.7Very low33.9Very low186 Ų186141.8 Ų141.881%0.80976%0.763SS**  trans79.4100.3155.5-79.3170.9-174174.80122.5
438R28Very low33.6Very low243 Ų243144.3 Ų144.392%0.91777%0.771SS**  trans94.3136.8142.2-67.6-172.9173.7-179.9-0.8118.5
439P33.3Very low33.8Very low118 Ų118145.2 Ų145.277%0.76678%0.779SS**  trans-126.7139.2-155.228.5-5000117
440K30.3Very low33.7Very low162 Ų162147.2 Ų147.270%0.70479%0.786SS**  trans59.7113.1131.1-73.6-177.7154.3-93.70122.7
441E29.7Very low33.7Very low155 Ų155147.6 Ų147.672%0.72479%0.792SS**  81.8155.9120-76.5168.6174.900120
442P37.5Very low33.5Very low109 Ų109149 Ų14971%0.70880%0.804SS**  trans-93.1167.2-137.936.1-38000115.7
443P40Very low33Very low123 Ų123146.1 Ų146.180%0.79981%0.806SS**  trans-68.6150.4-177.927.1-35.8000114.5
444P40.8Very low32.9Very low127 Ų127146 Ų14683%0.82581%0.805SS**  trans-96.2174.1-173.338.8-38.1000115.3
445L37Very low32.8Very low161 Ų161146.3 Ų146.384%0.84381%0.808SS**PPolyproline II helixtrans-62.5156172.2-67.2159.9000114.1
446P45.7Very low32.9Very low122 Ų122150 Ų15079%0.79282%0.816SS**PPolyproline II helixtrans-77.2144.4174.431-34.6000113.7
447P44.8Very low32.8Very low127 Ų127151.7 Ų151.783%0.82582%0.821SS**PPolyproline II helixtrans-102.9169.5-172.739.1-36.8000116.3
448K30.3Very low32.6Very low201 Ų201151.1 Ų151.187%0.87482%0.821SS**PPolyproline II helixtrans-75.2152.8169.1-64.8171.4178.9169.70112.2
449P37.9Very low33.6Very low121 Ų121144.3 Ų144.379%0.78681%0.808SS**PPolyproline II helixtrans-95.2134.2168.234.6-30.7000113.3
450K30.6Very low33.3Very low200 Ų200146.3 Ų146.387%0.8781%0.807SS**  trans-154139.8154.7-88.5-155.3176.8-173.60112.6
451S30.7Very low33.3Very low113 Ų113145.7 Ų145.779%0.7981%0.806SS**  trans48.7109.415357.10000119.9
452L27.5Very low33.1Very low187 Ų187146.8 Ų146.898%0.97981%0.809SS**  trans-79.5154.8156-81.2160.3000111.4
453S26.6Very low32.7Very low114 Ų114147.5 Ų147.580%0.79781%0.807SS**  trans-122.4144.1176.858.10000111.5
454S26.7Very low32.1Very low124 Ų124147.5 Ų147.587%0.86780%0.8SS**  trans-159129.1147.556.90000111.1
455S28.1Very low31.6Very low115 Ų115148.9 Ų148.980%0.80480%0.801SS**  trans-94.6143.2179.6500000112.6
456Q28.2Very low31.3Very low197 Ų197144.2 Ų144.292%0.92179%0.792SS**  trans-158.5168.2151.5-114170.515.100112.3
457H28.4Very low30.6Very low180 Ų180147.4 Ų147.483%0.83380%0.796SS**  trans-80.1150.3-157.9-75.7-68000117.5
458Q23.4Very low29.9Very low174 Ų174146 Ų14681%0.81379%0.789SS**  trans-10.2168.6134.8-89.9-174.2-4.800120.1
459P49.1Very low30Very low100 Ų100143.6 Ų143.665%0.64978%0.78SS**  cis-142.3-168.8-13.232.4-9.1000115.6
460Q26.2Very low29.6Very low161 Ų161143.8 Ų143.875%0.75278%0.775SS**  trans112.4111.8139.9-87.4-176.9-21.800122.6
461H29.6Very low29.6Very low148 Ų148139.9 Ų139.969%0.68576%0.763SS**  99.8133.9122.6-102.4-53.9000123.9
462K27.1Very low29.7Very low178 Ų178141.1 Ų141.177%0.77476%0.761SS**  trans73.3155.3157.7-61.2-169.1177.5-177.50115.9
463N27.5Very low30Very low124 Ų124139.9 Ų139.966%0.66376%0.756SS**  cis-165.9161-13.6-112.355.8000105.9
464D28.3Very low30.5Very low123 Ų123140.9 Ų140.966%0.65875%0.752SS**  cis-166.6-171-24.5-123.6-31.6000107.8
465D29.1Very low31Very low157 Ų157141 Ų14184%0.8475%0.748SS**  trans66.8140.6164.8-56.3-41.9000119.3
466G31Very low31.2Very low63 Ų63139.2 Ų139.265%0.64975%0.748SS**  cis162.9136.4-9.800000114.5
467Q31.6Very low31.3Very low189 Ų189134 Ų13488%0.88375%0.747SS**  trans71.1152.7154.7-53.2174.6-2.900117.3
468S29.8Very low31.4Very low98 Ų98129.1 Ų129.169%0.68575%0.745SS**  cis-153.9149.619.748.30000115.4
469H33.4Very low32.1Very low149 Ų149127.3 Ų127.369%0.6975%0.746SS**  trans54.6119136.4-68-43.4000123
470N29.6Very low31.7Very low125 Ų125129.4 Ų129.467%0.66875%0.751SS**  89.7146.982.1-7726.7000112.4
471N30.7Very low32.1Very low118 Ų118129.6 Ų129.663%0.63175%0.749SS**  cis-167.4-179.6-9.2-116.219.9000110.2
472D32.3Very low32.2Very low139 Ų139133 Ų13374%0.74376%0.756SS**  trans76.3142.3161.5-45.9-35.8000116.2
473D33.8Very low32.2Very low162 Ų162130.1 Ų130.187%0.86676%0.756SS**  cis-145.1176.222.1-136.7-27.4000115
474D37.6Very low33.3Very low134 Ų134129.8 Ų129.872%0.71776%0.761SS**  trans-112.3176.5-156.3-17427.2000116.9
475T37.1Very low33.2Very low126 Ų126127.9 Ų127.977%0.77376%0.763SS**  trans100132.8152.968.80000121.3
476G31Very low33.2Very low79 Ų79126.8 Ų126.881%0.81476%0.761SS**  trans-173.8-23.417800000122.7
477G31.9Very low32.9Very low87 Ų87133.1 Ų133.190%0.89777%0.774SS**  trans61.8163.3164.600000122.4
478G30.2Very low33.1Very low77 Ų77130.2 Ų130.279%0.79477%0.77SS**  trans152-5.2150.600000126.8
479T37.1Very low33.3Very low137 Ų137131.5 Ų131.584%0.8478%0.776SS**  trans22.9134.8159.79.40000127.5
480I41.2Very low33.2Very low144 Ų144129.8 Ų129.874%0.73878%0.78SS**  trans87.9133141.61.9-179.8000128.6
481K33.5Very low34Very low164 Ų164129.6 Ų129.671%0.71379%0.786SS**  trans100.5143.9144.2-69.2-178.6-170.8167.80118.5
482R32.5Very low34Very low221 Ų221127.9 Ų127.983%0.83479%0.788SS**  cis-163.9174.6-14-119.7-179.7-171.1-178.31.5110.3
483C27Very low34Very low116 Ų116131 Ų13178%0.78480%0.795SS**  trans-66-172.3177-21.80000115.4
484P50.4Low33.8Very low117 Ų117127 Ų12776%0.7679%0.785SS**  cis-140.3174.2-21.434.9-13.4000117
485A27Very low33.5Very low84 Ų84125.8 Ų125.869%0.69479%0.787SS**  trans30.4142.8141.400000127
486T28.2Very low33.3Very low133 Ų133126.1 Ų126.182%0.81679%0.789SS**  trans63.6124141.948.20000123.1
487E26.1Very low33.5Very low196 Ų196127.3 Ų127.392%0.91679%0.785SS**  -166.5148.3112.8-109.3176.5-16000113.1
488T34Very low33.8Very low129 Ų129129.8 Ų129.879%0.79178%0.782SS**  trans-111.8149.5169.151.10000108.9
489P35.3Very low34.2Very low124 Ų124131.4 Ų131.481%0.80578%0.778SS**  -149154.8100.336.4-19.9000115.7
490S31.3Very low34.5Very low113 Ų113131 Ų13179%0.7978%0.778SS**  trans-83159.1156.8-53.90000109.9
491P45.1Very low34.2Very low122 Ų122135.5 Ų135.579%0.79279%0.786SS**  -151.9144.890.636.9-17.9000118.3
492A30.8Very low34.6Very low82 Ų82132.5 Ų132.568%0.67878%0.783SS**  trans71.2122.4131.800000124.3
493K32.9Very low35.1Very low204 Ų204127.7 Ų127.789%0.88778%0.78SS**  trans78.5143.6136.9-69.9173.5-176.9-179.20119.2
494A30.2Very low35.7Very low78 Ų78128 Ų12865%0.64578%0.781SS**  cis-165.3160.6-8.800000112.7
495S31.7Very low35.3Very low109 Ų109128.2 Ų128.276%0.76278%0.783SS**  trans57.2145.5146.561.40000120.2
496T32.6Very low35.8Very low132 Ų132134.1 Ų134.181%0.8179%0.792SS**  cis-15816315.2-160000112
497S34.2Very low36Very low105 Ų105135.8 Ų135.873%0.73480%0.796SS**  trans-75.5152.917852.30000116.3
498V37.6Very low36.6Very low139 Ų139131.9 Ų131.984%0.84279%0.787SS**  trans-139.2131160.1-177.70000111.5
499P39.9Very low37.6Very low110 Ų110130.8 Ų130.871%0.71478%0.782SS**  trans-102.2175177.739.9-35.3000114.3
500P42.7Very low37.5Very low128 Ų128133.6 Ų133.683%0.83178%0.784SS**  trans-95.2162.4-170.137-36.3000116.7
501R35.6Very low37.4Very low240 Ų240140 Ų14091%0.90679%0.791SS**  trans-170.7171.1174.8-116.7-167.6-156.8-118.1-0.6110.8
502P41.6Very low36.6Very low100 Ų100146 Ų14665%0.64980%0.798SS**  -125.8178.5-59.231.1-10.7000113.1
503P42.4Very low36.5Very low120 Ų120147.3 Ų147.378%0.77980%0.802SS**PPolyproline II helixtrans-79.5168.117032.9-36.1000114.6
504P40.3Very low36.3Very low123 Ų123142.4 Ų142.480%0.79979%0.794SS**PPolyproline II helixtrans-87165.3-167.634.8-37.1000115.9
505P41.3Very low36.2Very low122 Ų122147.4 Ų147.479%0.79281%0.808SS**PPolyproline II helixtrans-97.4162.2-165.737.9-36.5000116.3
506K37.1Very low36Very low207 Ų207145.4 Ų145.490%0.981%0.806SS**  trans-113153.7159.4-74.7-176.7175.3-1790109.9
507L34.1Very low35.8Very low169 Ų169146.1 Ų146.189%0.88580%0.804SS**  trans-138.9163169.7-81.8177.5000111.3
508P38.4Very low35.5Very low113 Ų113148.1 Ų148.173%0.73481%0.807SS**  trans-113.9-177.7-142.944.2-36.8000115.3
509P54.4Low35.1Very low106 Ų106146.5 Ų146.569%0.68880%0.802SS**  trans-104.4164.2-165.239.5-34.2000115.7
510H33.4Very low35.2Very low184 Ų184147.1 Ų147.185%0.85281%0.806SS**  trans172154.3131-97-58.2000116.5
511R28.3Very low34.5Very low247 Ų247148.3 Ų148.393%0.93280%0.8SS**  trans94.6141.4156-77-177.2-174-139.10.6121.9
512R29Very low34.2Very low247 Ų247146.3 Ų146.393%0.93279%0.793SS**  trans-105.1152.6-177.5-65.7172.6167.4177.8-5.4111.9
513S28.4Very low33.4Very low110 Ų110151.3 Ų151.377%0.76980%0.804SS**  trans164.2113.7147.747.60000108
514S28.9Very low32.8Very low102 Ų102152 Ų15271%0.71380%0.801SS**  86.8132.560.969.60000114.7
515L28.5Very low32.3Very low182 Ų182153.2 Ų153.295%0.95381%0.806SS**  trans76.6138.9177-52.6156.6000115
516G26.9Very low31.8Very low68 Ų68156.4 Ų156.470%0.70181%0.81SS**  cis-178172.9-5.400000112.3
517N28.3Very low31.3Very low146 Ų146152.4 Ų152.478%0.78181%0.808SS**  trans20.6122.9156.3-95.853.5000121
518D27.9Very low31.1Very low147 Ų147150.2 Ų150.279%0.78681%0.807SS**  173.6150.189.5-95.3-26.2000113.1
519S29.4Very low30.6Very low106 Ų106149.3 Ų149.374%0.74181%0.809SS**  trans-121.2153165.559.10000108.9
520P42.7Very low29.7Very low122 Ų122150.1 Ų150.179%0.79282%0.815SS**  -145.9124.7128.731.7-14.3000116.1
521Q28.6Very low29.6Very low153 Ų153149.6 Ų149.672%0.71581%0.812SS**  40.8130.3129.2-72.1-170.3-500124.2
522R27.8Very low29.8Very low199 Ų199145.3 Ų145.375%0.75181%0.808SS**  trans76.1122.4132.4-73.1175171.4-177.5-3.1120.8
523K26.3Very low30.3Very low205 Ų205140.8 Ų140.889%0.89180%0.802SS**  -162.613399.9-106.2178.2-178-177.90113
524D29.1Very low30.8Very low135 Ų135143.3 Ų143.372%0.72281%0.807SS**  trans-86.2148.4176-41.4-80.2000111.6
525V30.4Very low31.3Very low147 Ų147143.1 Ų143.189%0.89180%0.798SS**  trans-147.2116.9150.9-1790000108
526E29.5Very low31.5Very low190 Ų190136.8 Ų136.889%0.88878%0.777SS**  trans-80.7148.7169.9-65.9170.911600111.6
527S26.4Very low32.2Very low123 Ų123138.5 Ų138.586%0.8678%0.778SS**  trans-149.8132.2144.465.30000111.3
528S30.1Very low32.5Very low123 Ų123136.3 Ų136.386%0.8676%0.762SS**  trans-83.3143.7-166.553.10000115.3
529A27.8Very low33.1Very low94 Ų94137.8 Ų137.878%0.77776%0.756SS**  trans-152.4155.8156.500000108.6
530P35.9Very low33.6Very low123 Ų123139.2 Ų139.280%0.79975%0.751SS**  trans-80158.3-151.531.8-37000115.6
531E32.2Very low33.6Very low172 Ų172137 Ų13780%0.80473%0.729SS**  trans-77.8112.8172.3-67.1163.7148.300110.2
532D32.2Very low34.2Very low158 Ų158132 Ų13285%0.84570%0.703SS**  trans-93.195156.5-83.5-39.8000107.4D534D532-D534 PolarHBondContact O-N 2.85Å; D532-D534 VanDerWaalsContact O-N 3.08Å
533D39.2Very low34.9Very low152 Ų152128.9 Ų128.981%0.81370%0.698SS**  trans-75.185.6176.9-85.8-39.7000111.8
534D37.8Very low36.2Very low163 Ų163123.4 Ų123.487%0.87267%0.672SS**  trans-159.538.4155.8-148.412.3000115.3D532D532-D534 PolarHBondContact O-N 2.85Å; D532-D534 VanDerWaalsContact O-N 3.08Å
535D39.7Very low36.7Very low98 Ų98118.6 Ų118.652%0.52465%0.645SS.*  trans-130.314.6178.2-163.432.2000114.3S537D535-S537 VanDerWaalsContact C-N 3.35Å; D535-S537 PolarHBondContact O-N 2.84Å
536G33.1Very low37.2Very low48 Ų48114.7 Ų114.750%0.49562%0.617SS.*Hα-helixtrans-64.9-33.3-175.700000114.4H540G536-H540 PolarHBondContact O-N 2.82Å
537S41.5Very low37.9Very low105 Ų105109.1 Ų109.173%0.73460%0.596SS**Hα-helixtrans-68.1-44-175.7178.90000112.8D535 F541D535-S537 VanDerWaalsContact C-N 3.35Å; D535-S537 PolarHBondContact O-N 2.84Å; S537-F541 PolarHBondContact O-N 2.92Å
538F35.5Very low38.4Very low99 Ų99109.5 Ų109.543%0.43460%0.596SS.*Hα-helixtrans-74.1-37.3-175.4-147.4-115.5000111.6F541 W542F538-F541 PolarHBondContact O-N 2.84Å; F538-W542 AromaticContact CD1-CD1 3.56Å; F538-W542 AromaticContact CD1-NE1 3.64Å; F538-W542 AromaticContact CE1-CD1 3.61Å; F538-W542 AromaticContact CE1-NE1 3.16Å; F538-W542 AromaticContact CZ-NE1 3.72Å; F538-W542 WeakPolarHBondContact O-CB 3.33Å; F538-W542 PolarHBondContact O-N 2.83Å
539R39.6Very low39.4Very low178 Ų178106.3 Ų106.367%0.67257%0.567SS**Hα-helixtrans-60.7-48.6172.5-82.3-177.2168175.5-1.6112.9F541 W542 E543R539-F541 VanDerWaalsContact C-N 3.33Å; R539-F541 PolarHBondContact O-N 2.8Å; R539-W542 PolarHBondContact O-N 3.42Å; R539-W542 VanDerWaalsContact O-N 3.15Å; R539-E543 PolarHBondContact O-N 2.82Å
540H41.3Very low40.5Very low137 Ų137105 Ų10563%0.63455%0.55SS*.Hα-helixtrans-60.2-42.1178.5-98.8-73.6000112.5G536 W542 E543 W544G536-H540 PolarHBondContact O-N 2.82Å; H540-W542 VanDerWaalsContact C-N 3.35Å; H540-W542 PolarHBondContact O-N 3.16Å; H540-E543 PolarHBondContact O-N 2.79Å; H540-W544 WeakPolarHBondContact O-CB 3.47Å; H540-W544 PolarHBondContact O-N 2.85Å
541F41.1Very low40.8Very low75 Ų75106.9 Ų106.933%0.32955%0.548SS..Hα-helixtrans-64.5-37.3175.6-178.9-108.1000112.6S537 F538 R539 W544 L545S537-F541 PolarHBondContact O-N 2.92Å; F538-F541 PolarHBondContact O-N 2.84Å; R539-F541 VanDerWaalsContact C-N 3.33Å; R539-F541 PolarHBondContact O-N 2.8Å; F541-W544 HydrophobicContact CD2-CE3 4.41Å; F541-W544 HydrophobicContact CE2-CE3 4.34Å; F541-W544 HydrophobicContact CE2-CZ3 4.38Å; F541-L545 HydrophobicContact CD1-CD1 3.92Å; F541-L545 HydrophobicContact CE1-CD1 3.46Å; F541-L545 VanDerWaalsContact CE1-CD1 3.46Å; F541-L545 HydrophobicContact CE1-CG 4.42Å; F541-L545 HydrophobicContact CZ-CD1 3.83Å; F541-L545 HydrophobicContact CZ-CG 4.4Å; F541-L545 WeakPolarHBondContact O-CB 3.49Å; F541-L545 PolarHBondContact O-N 3.36Å
542W41.7Very low41.6Very low47 Ų47106.3 Ų106.318%0.17855%0.545CS..Hα-helixtrans-72.4-35.9176.6-93.5106.2000114.3M220 F538 R539 H540 H546M220-W542 HydrophobicContact CE-CZ2 4.44Å; F538-W542 AromaticContact CD1-CD1 3.56Å; F538-W542 AromaticContact CD1-NE1 3.64Å; F538-W542 AromaticContact CE1-CD1 3.61Å; F538-W542 AromaticContact CE1-NE1 3.16Å; F538-W542 AromaticContact CZ-NE1 3.72Å; F538-W542 WeakPolarHBondContact O-CB 3.33Å; F538-W542 PolarHBondContact O-N 2.83Å; R539-W542 PolarHBondContact O-N 3.42Å; R539-W542 VanDerWaalsContact O-N 3.15Å; H540-W542 VanDerWaalsContact C-N 3.35Å; H540-W542 PolarHBondContact O-N 3.16Å; W542-H546 AromaticContact CE3-CE1 3.4Å; W542-H546 AromaticContact CE3-ND1 3.73Å; W542-H546 AromaticContact CZ3-CE1 3.38Å; W542-H546 WeakPolarHBondContact CZ3-CE1 3.34Å; W542-H546 PolarHBondContact O-ND1 3.18Å
543E42.1Very low42.2Very low135 Ų135102.6 Ų102.663%0.63152%0.523SS*.Hα-helixtrans-65.7-46.2172.3-73.2-173.5157.200110.7R539 H540 L545 H546 T547R539-E543 PolarHBondContact O-N 2.82Å; H540-E543 PolarHBondContact O-N 2.79Å; E543-L545 PolarHBondContact O-N 3.22Å; E543-H546 CarbonylContact O-C 3.55Å; E543-H546 PolarHBondContact O-N 3.47Å; E543-T547 PolarHBondContact O-N 3.01Å
544W54Low42.6Very low90 Ų9097.7 Ų97.734%0.34150%0.497SS..Hα-helixtrans-57.6-43174-179.983.7000112.5H540 F541 H546 T547 H549 L554 A557H540-W544 WeakPolarHBondContact O-CB 3.47Å; H540-W544 PolarHBondContact O-N 2.85Å; F541-W544 HydrophobicContact CD2-CE3 4.41Å; F541-W544 HydrophobicContact CE2-CE3 4.34Å; F541-W544 HydrophobicContact CE2-CZ3 4.38Å; W544-H546 PolarHBondContact O-N 3.17Å; W544-T547 PolarHBondContact O-N 3.39Å; W544-T547 PolarHBondContact O-OG1 2.95Å; W544-H549 AromaticContact NE1-CE1 3.86Å; W544-H549 AromaticContact NE1-NE2 3.88Å; W544-H549 PolarHBondContact O-CD2 3.26Å; W544-H549 PolarHBondContact O-NE2 3.03Å; W544-L554 HydrophobicContact CH2-CD2 4.41Å; W544-A557 HydrophobicContact CH2-CB 3.47Å; W544-A557 VanDerWaalsContact CH2-CB 3.47Å; W544-A557 HydrophobicContact CZ2-CB 3.37Å
545L40.8Very low43.1Very low33 Ų3396.4 Ų96.417%0.17349%0.485CS..THydrogen-bonded Turntrans-60.3-10.6174.4-92.1167000114.9F224 F541 E543F224-L545 HydrophobicContact CD2-CD2 4.46Å; F224-L545 WeakPolarHBondContact CE2-O 3.43Å; F541-L545 HydrophobicContact CD1-CD1 3.92Å; F541-L545 HydrophobicContact CE1-CD1 3.46Å; F541-L545 VanDerWaalsContact CE1-CD1 3.46Å; F541-L545 HydrophobicContact CE1-CG 4.42Å; F541-L545 HydrophobicContact CZ-CD1 3.83Å; F541-L545 HydrophobicContact CZ-CG 4.4Å; F541-L545 WeakPolarHBondContact O-CB 3.49Å; F541-L545 PolarHBondContact O-N 3.36Å; E543-L545 PolarHBondContact O-N 3.22Å
546H40.7Very low43.5Very low65 Ų6598.7 Ų98.730%0.30149%0.493SS..THydrogen-bonded Turntrans-1240.3-173.2-67.878.5000114.8R187 W542 E543 W544R187-H546 PolarHBondContact NH1-CD2 2.72Å; R187-H546 PolarHBondContact NH1-NE2 3.05Å; R187-H546 PolarHBondContact NH2-CD2 3.07Å; R187-H546 PolarHBondContact NH2-CE1 2.94Å; R187-H546 PolarHBondContact NH2-ND1 3.45Å; R187-H546 PolarHBondContact NH2-NE2 3.23Å; W542-H546 AromaticContact CE3-CE1 3.4Å; W542-H546 AromaticContact CE3-ND1 3.73Å; W542-H546 AromaticContact CZ3-CE1 3.38Å; W542-H546 WeakPolarHBondContact CZ3-CE1 3.34Å; W542-H546 PolarHBondContact O-ND1 3.18Å; E543-H546 CarbonylContact O-C 3.55Å; E543-H546 PolarHBondContact O-N 3.47Å; W544-H546 PolarHBondContact O-N 3.17Å
547T42.7Very low44.1Very low73 Ų7397.4 Ų97.445%0.44848%0.478SS..SBendtrans-64.8147.2156.616.50000110.6E543 W544 H549E543-T547 PolarHBondContact O-N 3.01Å; W544-T547 PolarHBondContact O-N 3.39Å; W544-T547 PolarHBondContact O-OG1 2.95Å; T547-H549 WeakPolarHBondContact CB-NE2 3.43Å; T547-H549 PolarHBondContact O-CD2 2.74Å; T547-H549 PolarHBondContact O-N 2.97Å; T547-H549 VanDerWaalsContact O-N 3.11Å; T547-H549 PolarHBondContact OG1-NE2 3.47Å
548P36.8Very low44.3Very low132 Ų13299.5 Ų99.586%0.85747%0.47SS*.  trans-74.4103.2175.9-6.423.3000109.4
549H52.6Low44.9Very low55 Ų5599 Ų9926%0.25547%0.468SS..  trans-94.8148.4177.2-68.7-63.5000112.6W544 T547 E553 L554W544-H549 AromaticContact NE1-CE1 3.86Å; W544-H549 AromaticContact NE1-NE2 3.88Å; W544-H549 PolarHBondContact O-CD2 3.26Å; W544-H549 PolarHBondContact O-NE2 3.03Å; T547-H549 WeakPolarHBondContact CB-NE2 3.43Å; T547-H549 PolarHBondContact O-CD2 2.74Å; T547-H549 PolarHBondContact O-N 2.97Å; T547-H549 VanDerWaalsContact O-N 3.11Å; T547-H549 PolarHBondContact OG1-NE2 3.47Å; H549-E553 VanDerWaalsContact CA-OE2 3.3Å; H549-E553 WeakPolarHBondContact CA-OE2 3.5Å; H549-E553 HydrophobicContact CB-CB 4.22Å; H549-E553 IonicContact CE1-OE2 3.53Å; H549-E553 IonicContact CG-OE2 2.66Å; H549-E553 IonicContact ND1-OE2 3.86Å; H549-E553 PolarHBondContact ND1-OE2 2.84Å; H549-L554 HydrophobicContact CB-CD1 4.32Å; H549-L554 HydrophobicContact CB-CD2 4.01Å; H549-L554 HydrophobicContact CB-CG 3.85Å
550T50Low45.2Very low67 Ų6794.4 Ų94.441%0.41146%0.46SS..  trans-70.9169.1166.862.70000110.6E552 E553 L554T550-E552 VanDerWaalsContact C-N 3.33Å; T550-E553 PolarHBondContact N-OE2 2.83Å; T550-E553 WeakPolarHBondContact OG1-CB 3.46Å; T550-E553 WeakPolarHBondContact OG1-CG 3.35Å; T550-E553 PolarHBondContact OG1-N 2.69Å; T550-E553 PolarHBondContact OG1-OE1 2.98Å; T550-L554 WeakPolarHBondContact O-CG 3.27Å
551E43.3Very low45.3Very low163 Ų16392.2 Ų92.276%0.76245%0.453SS*.Hα-helixtrans-69.4-35.8177.7-148.9152.7-143.600110.5L554 E555E551-L554 PolarHBondContact O-N 2.93Å; E551-E555 PolarHBondContact O-N 3.16Å
552E47.5Very low45.4Very low159 Ų15992.5 Ų92.574%0.74345%0.454SS*.Hα-helixtrans-65-46.5174.4-70.3170.4137.400113.2T550 L554 E555 E556T550-E552 VanDerWaalsContact C-N 3.33Å; E552-L554 PolarHBondContact O-N 3.17Å; E552-L554 VanDerWaalsContact O-N 3.14Å; E552-E555 WeakPolarHBondContact O-CA 3.4Å; E552-E555 WeakPolarHBondContact O-CB 3.22Å; E552-E555 PolarHBondContact O-N 3.32Å; E552-E556 PolarHBondContact O-N 2.73Å
553E44.8Very low45.4Very low81 Ų8196.1 Ų96.138%0.37947%0.473SS..Hα-helixtrans-58.4-29.2177.4-77.8165.2-152.400113H549 T550 A557H549-E553 VanDerWaalsContact CA-OE2 3.3Å; H549-E553 WeakPolarHBondContact CA-OE2 3.5Å; H549-E553 HydrophobicContact CB-CB 4.22Å; H549-E553 IonicContact CE1-OE2 3.53Å; H549-E553 IonicContact CG-OE2 2.66Å; H549-E553 IonicContact ND1-OE2 3.86Å; H549-E553 PolarHBondContact ND1-OE2 2.84Å; T550-E553 PolarHBondContact N-OE2 2.83Å; T550-E553 WeakPolarHBondContact OG1-CB 3.46Å; T550-E553 WeakPolarHBondContact OG1-CG 3.35Å; T550-E553 PolarHBondContact OG1-N 2.69Å; T550-E553 PolarHBondContact OG1-OE1 2.98Å; E553-A557 WeakPolarHBondContact O-CB 3.35Å; E553-A557 PolarHBondContact O-N 3.27Å; E553-A557 VanDerWaalsContact O-N 3.17Å
554L47.9Very low45.4Very low49 Ų4992.7 Ų92.726%0.25746%0.461SS..Hα-helixtrans-80.9-28.4176.4-69.1172.2000112.8W544 H549 T550 E551 E552 W558W544-L554 HydrophobicContact CH2-CD2 4.41Å; H549-L554 HydrophobicContact CB-CD1 4.32Å; H549-L554 HydrophobicContact CB-CD2 4.01Å; H549-L554 HydrophobicContact CB-CG 3.85Å; T550-L554 WeakPolarHBondContact O-CG 3.27Å; E551-L554 PolarHBondContact O-N 2.93Å; E552-L554 PolarHBondContact O-N 3.17Å; E552-L554 VanDerWaalsContact O-N 3.14Å; L554-W558 VanDerWaalsContact O-CB 3.31Å; L554-W558 WeakPolarHBondContact O-CB 3.45Å; L554-W558 PolarHBondContact O-N 3.07Å
555E49.5Very low44.8Very low136 Ų13694.3 Ų94.364%0.63647%0.47SS*.Hα-helixtrans-73-43.1173-143.593-145.300109.9E551 E552 W558 E559E551-E555 PolarHBondContact O-N 3.16Å; E552-E555 WeakPolarHBondContact O-CA 3.4Å; E552-E555 WeakPolarHBondContact O-CB 3.22Å; E552-E555 PolarHBondContact O-N 3.32Å; E555-W558 WeakPolarHBondContact O-CB 3.38Å; E555-W558 PolarHBondContact O-N 2.82Å; E555-W558 VanDerWaalsContact O-N 3.14Å; E555-E559 PolarHBondContact O-N 2.89Å; E555-E559 VanDerWaalsContact O-N 3.1Å
556E47Very low44.9Very low145 Ų14597.7 Ų97.768%0.67849%0.485SS*.Hα-helixtrans-63.3-48.6177.9-134.4176.2-165.200111.5E552 W558 E559 V560E552-E556 PolarHBondContact O-N 2.73Å; E556-W558 PolarHBondContact O-N 3.01Å; E556-E559 PolarHBondContact O-N 2.81Å; E556-V560 WeakPolarHBondContact O-CG2 3.4Å; E556-V560 PolarHBondContact O-N 3.22Å; E556-V560 VanDerWaalsContact O-N 3.09Å
557A45.5Very low44.8Very low22 Ų22100.7 Ų100.718%0.18250%0.499CS..Hα-helixtrans-66.4-21.2174.600000113.4W544 E553 L561W544-A557 HydrophobicContact CH2-CB 3.47Å; W544-A557 VanDerWaalsContact CH2-CB 3.47Å; W544-A557 HydrophobicContact CZ2-CB 3.37Å; E553-A557 WeakPolarHBondContact O-CB 3.35Å; E553-A557 PolarHBondContact O-N 3.27Å; E553-A557 VanDerWaalsContact O-N 3.17Å; A557-L561 WeakPolarHBondContact O-CB 3.33Å; A557-L561 WeakPolarHBondContact O-CD1 3.36Å; A557-L561 VanDerWaalsContact O-CG 3.27Å; A557-L561 WeakPolarHBondContact O-CG 3.27Å; A557-L561 PolarHBondContact O-N 3.21Å; A557-L561 VanDerWaalsContact O-N 3.07Å
558W46.3Very low44.4Very low149 Ų149102.4 Ų102.456%0.56450%0.502SS*.Hα-helixtrans-74.4-41.9174.4-171.595.9000111.7L554 E555 E556 L561 K562L554-W558 VanDerWaalsContact O-CB 3.31Å; L554-W558 WeakPolarHBondContact O-CB 3.45Å; L554-W558 PolarHBondContact O-N 3.07Å; E555-W558 WeakPolarHBondContact O-CB 3.38Å; E555-W558 PolarHBondContact O-N 2.82Å; E555-W558 VanDerWaalsContact O-N 3.14Å; E556-W558 PolarHBondContact O-N 3.01Å; W558-L561 PolarHBondContact O-N 2.84Å; W558-K562 HydrophobicContact CE3-CD 4.32Å; W558-K562 HydrophobicContact CH2-CD 4.2Å; W558-K562 HydrophobicContact CZ3-CB 4.45Å; W558-K562 HydrophobicContact CZ3-CD 3.65Å; W558-K562 HydrophobicContact CZ3-CG 4.34Å; W558-K562 WeakPolarHBondContact O-CB 3.31Å; W558-K562 PolarHBondContact O-N 3.17Å
559E47.6Very low44.5Very low87 Ų87101.6 Ų101.641%0.40749%0.487SS..Hα-helixtrans-65.1-39.4172.5-72.6-66.9148.400111.5E555 E556 L561 K562 E563E555-E559 PolarHBondContact O-N 2.89Å; E555-E559 VanDerWaalsContact O-N 3.1Å; E556-E559 PolarHBondContact O-N 2.81Å; E559-L561 PolarHBondContact O-N 2.83Å; E559-K562 WeakPolarHBondContact O-CB 3.4Å; E559-K562 PolarHBondContact O-N 2.81Å; E559-K562 VanDerWaalsContact O-N 3.15Å; E559-K562 IonicContact OE1-NZ 3.14Å; E559-K562 PolarHBondContact OE1-NZ 2.73Å; E559-K562 WeakPolarHBondContact OE2-CD 3.33Å; E559-K562 IonicContact OE2-NZ 3.89Å; E559-K562 PolarHBondContact OE2-NZ 3.36Å; E559-E563 PolarHBondContact O-N 3.12Å
560V46.8Very low43.9Very low82 Ų82105 Ų10550%0.49750%0.501SS..Hα-helixtrans-61.8-42.1173174.90000112E556 K562 E563 V564E556-V560 WeakPolarHBondContact O-CG2 3.4Å; E556-V560 PolarHBondContact O-N 3.22Å; E556-V560 VanDerWaalsContact O-N 3.09Å; V560-K562 VanDerWaalsContact C-N 3.26Å; V560-K562 PolarHBondContact O-N 2.88Å; V560-E563 PolarHBondContact O-N 2.84Å; V560-V564 WeakPolarHBondContact O-CG2 3.35Å; V560-V564 PolarHBondContact O-N 2.86Å
561L42.8Very low43.1Very low92 Ų92109 Ų10948%0.48252%0.515SS..Hα-helixtrans-67.8-25.8176.4-77.7169.1000113.3A557 W558 E559 K565A557-L561 WeakPolarHBondContact O-CB 3.33Å; A557-L561 WeakPolarHBondContact O-CD1 3.36Å; A557-L561 VanDerWaalsContact O-CG 3.27Å; A557-L561 WeakPolarHBondContact O-CG 3.27Å; A557-L561 PolarHBondContact O-N 3.21Å; A557-L561 VanDerWaalsContact O-N 3.07Å; W558-L561 PolarHBondContact O-N 2.84Å; E559-L561 PolarHBondContact O-N 2.83Å; L561-K565 WeakPolarHBondContact O-CB 3.31Å; L561-K565 PolarHBondContact O-N 3.35Å; L561-K565 VanDerWaalsContact O-N 3.14Å
562K42.3Very low42.7Very low80 Ų80108.8 Ų108.835%0.34851%0.514SS..Hα-helixtrans-76-42.1175.3-179-155.6-168.5-177.70110.8W558 E559 V560 K565 E566W558-K562 HydrophobicContact CE3-CD 4.32Å; W558-K562 HydrophobicContact CH2-CD 4.2Å; W558-K562 HydrophobicContact CZ3-CB 4.45Å; W558-K562 HydrophobicContact CZ3-CD 3.65Å; W558-K562 HydrophobicContact CZ3-CG 4.34Å; W558-K562 WeakPolarHBondContact O-CB 3.31Å; W558-K562 PolarHBondContact O-N 3.17Å; E559-K562 WeakPolarHBondContact O-CB 3.4Å; E559-K562 PolarHBondContact O-N 2.81Å; E559-K562 VanDerWaalsContact O-N 3.15Å; E559-K562 IonicContact OE1-NZ 3.14Å; E559-K562 PolarHBondContact OE1-NZ 2.73Å; E559-K562 WeakPolarHBondContact OE2-CD 3.33Å; E559-K562 IonicContact OE2-NZ 3.89Å; E559-K562 PolarHBondContact OE2-NZ 3.36Å; V560-K562 VanDerWaalsContact C-N 3.26Å; V560-K562 PolarHBondContact O-N 2.88Å; K562-K565 WeakPolarHBondContact O-CB 3.28Å; K562-K565 PolarHBondContact O-N 3.3Å; K562-E566 PolarHBondContact O-N 3.42Å
563E42.2Very low42.2Very low124 Ų124105.2 Ų105.258%0.57951%0.507SS*.Hα-helixtrans-60.7-49.3170.6-72-173.414200111.8E559 V560 K565 E566 E567E559-E563 PolarHBondContact O-N 3.12Å; V560-E563 PolarHBondContact O-N 2.84Å; E563-K565 PolarHBondContact O-N 3.35Å; E563-E566 CarbonylContact O-C 3.49Å; E563-E566 PolarHBondContact O-N 2.82Å; E563-E567 PolarHBondContact O-N 3.4Å
564V42.2Very low41.7Very low62 Ų62108.2 Ų108.238%0.37653%0.525SS..Hα-helixtrans-59.2-32.3176.6171.10000111.9V560 Q568V560-V564 WeakPolarHBondContact O-CG2 3.35Å; V560-V564 PolarHBondContact O-N 2.86Å; V564-Q568 WeakPolarHBondContact O-CG 3.37Å; V564-Q568 PolarHBondContact O-N 2.91Å
565K41.6Very low40.7Very low124 Ų124108.9 Ų108.954%0.53954%0.544SS..Hα-helixtrans-71-42.8173.9-172.8-174.7171.1-156.50111.9L561 K562 E563 E567 Q568 E569L561-K565 WeakPolarHBondContact O-CB 3.31Å; L561-K565 PolarHBondContact O-N 3.35Å; L561-K565 VanDerWaalsContact O-N 3.14Å; K562-K565 WeakPolarHBondContact O-CB 3.28Å; K562-K565 PolarHBondContact O-N 3.3Å; E563-K565 PolarHBondContact O-N 3.35Å; K565-E567 PolarHBondContact O-N 2.94Å; K565-Q568 PolarHBondContact O-N 3.31Å; K565-E569 WeakPolarHBondContact CE-OE1 3.5Å; K565-E569 IonicContact NZ-OE1 3.27Å; K565-E569 PolarHBondContact NZ-OE1 2.83Å; K565-E569 WeakPolarHBondContact O-CG 3.4Å; K565-E569 PolarHBondContact O-N 3.18Å
566E42.6Very low39.8Very low104 Ų104110.3 Ų110.349%0.48656%0.555SS.*Hα-helixtrans-66.4-24.7174.5-72.3-173.1-169.200113K562 E563 K570K562-E566 PolarHBondContact O-N 3.42Å; E563-E566 CarbonylContact O-C 3.49Å; E563-E566 PolarHBondContact O-N 2.82Å; E566-K570 VanDerWaalsContact O-CD 3.3Å; E566-K570 WeakPolarHBondContact O-CD 3.48Å; E566-K570 VanDerWaalsContact O-CG 3.26Å; E566-K570 WeakPolarHBondContact O-CG 3.49Å; E566-K570 PolarHBondContact O-N 3.41Å
567E38.4Very low38.9Very low129 Ų129111.5 Ų111.560%0.60357%0.566SS**Hα-helixtrans-77.2-43.2169.4-69-166.2141.200112.4E563 K565 E569 K570 E571E563-E567 PolarHBondContact O-N 3.4Å; K565-E567 PolarHBondContact O-N 2.94Å; E567-E569 PolarHBondContact O-N 3.29Å; E567-K570 WeakPolarHBondContact O-CA 3.4Å; E567-K570 WeakPolarHBondContact O-CB 3.5Å; E567-K570 PolarHBondContact O-N 2.98Å; E567-K570 VanDerWaalsContact O-N 3.07Å; E567-E571 PolarHBondContact O-N 2.98Å
568Q35.5Very low38.1Very low109 Ų109116.1 Ų116.151%0.50960%0.597SS.*Hα-helixtrans-63-39.7175.2-77.6-175.84.600112.8V564 K565 K570 E571 E572V564-Q568 WeakPolarHBondContact O-CG 3.37Å; V564-Q568 PolarHBondContact O-N 2.91Å; K565-Q568 PolarHBondContact O-N 3.31Å; Q568-K570 PolarHBondContact O-N 3.18Å; Q568-E571 PolarHBondContact O-N 2.8Å; Q568-E572 PolarHBondContact O-N 2.84Å
569E38.2Very low37.4Very low115 Ų115114.5 Ų114.554%0.53761%0.606SS.*Hα-helixtrans-66.6-23.8174.5-71.7-178.5179.800112.2K565 E567K565-E569 WeakPolarHBondContact CE-OE1 3.5Å; K565-E569 IonicContact NZ-OE1 3.27Å; K565-E569 PolarHBondContact NZ-OE1 2.83Å; K565-E569 WeakPolarHBondContact O-CG 3.4Å; K565-E569 PolarHBondContact O-N 3.18Å; E567-E569 PolarHBondContact O-N 3.29Å
570K39.3Very low36.4Very low126 Ų126119.2 Ų119.255%0.54863%0.627SS.*Hα-helixtrans-78.4-39.7170-74.4165.7-169.91500112.5E566 E567 Q568 S573E566-K570 VanDerWaalsContact O-CD 3.3Å; E566-K570 WeakPolarHBondContact O-CD 3.48Å; E566-K570 VanDerWaalsContact O-CG 3.26Å; E566-K570 WeakPolarHBondContact O-CG 3.49Å; E566-K570 PolarHBondContact O-N 3.41Å; E567-K570 WeakPolarHBondContact O-CA 3.4Å; E567-K570 WeakPolarHBondContact O-CB 3.5Å; E567-K570 PolarHBondContact O-N 2.98Å; E567-K570 VanDerWaalsContact O-N 3.07Å; Q568-K570 PolarHBondContact O-N 3.18Å; K570-S573 PolarHBondContact O-N 2.85Å; K570-S573 PolarHBondContact O-OG 3.41Å
571E34.3Very low35.5Very low152 Ų152123.1 Ų123.171%0.7165%0.645SS**Hα-helixtrans-68.9-40.9178.1-71.8-160.9137.400112.8E567 Q568 S573 N574 G575E567-E571 PolarHBondContact O-N 2.98Å; Q568-E571 PolarHBondContact O-N 2.8Å; E571-S573 PolarHBondContact O-N 3.2Å; E571-S573 VanDerWaalsContact O-N 3.14Å; E571-N574 PolarHBondContact O-N 3.21Å; E571-G575 PolarHBondContact O-N 2.98Å
572E34.5Very low34.8Very low157 Ų157122.5 Ų122.573%0.73466%0.661SS**THydrogen-bonded Turntrans-63.6-18.8175.4-71-165.1163.500112.7Q568Q568-E572 PolarHBondContact O-N 2.84Å
573S36.5Very low34.1Very low85 Ų85127.6 Ų127.659%0.59469%0.687SS**THydrogen-bonded Turntrans-79-17.6174.382.50000115K570 E571K570-S573 PolarHBondContact O-N 2.85Å; K570-S573 PolarHBondContact O-OG 3.41Å; E571-S573 PolarHBondContact O-N 3.2Å; E571-S573 VanDerWaalsContact O-N 3.14Å
574N35.3Very low33.4Very low144 Ų144132.1 Ų132.177%0.7770%0.698SS**THydrogen-bonded Turntrans-120.80.7-171.5-84.7-42.6000115.2E571 L576E571-N574 PolarHBondContact O-N 3.21Å; N574-L576 PolarHBondContact O-N 2.86Å
575G27.2Very low32.6Very low63 Ų63136.5 Ų136.565%0.64972%0.715SS**  trans-88.369.4-174.900000116.5E571E571-G575 PolarHBondContact O-N 2.98Å
576L30.6Very low31.8Very low165 Ų165136.3 Ų136.386%0.86473%0.729SS**  trans-148.877.9161.5-140.4109.2000115.2N574N574-L576 PolarHBondContact O-N 2.86Å
577N27.3Very low31.5Very low171 Ų171137.9 Ų137.991%0.91475%0.748SS**  trans-153.7103.5155.7-100.7-30.9000109.4
578S29.1Very low31Very low118 Ų118135.2 Ų135.283%0.82576%0.755SS**  trans-101.1135.5170.449.20000110.6
579P31Very low30.6Very low116 Ų116137 Ų13775%0.75376%0.764SS**  trans-89.5148.7179.334.2-33.5000113.1
580H27.5Very low30.1Very low185 Ų185141.4 Ų141.486%0.85678%0.775SS**  trans53.7107.5154.3-66.1-11.2000119.9
581N27.8Very low29.6Very low164 Ų164143.6 Ų143.688%0.87779%0.787SS**  trans-91.3132141.4-118.25.9000108.7
582G26.7Very low29.2Very low79 Ų79141.7 Ų141.781%0.81479%0.791SS**  trans-102127.7169.700000110.5
583E28.6Very low28.9Very low188 Ų188140.6 Ų140.688%0.87980%0.795SS**  trans-106.3138.9174.4-71.1-171.315500112.2
584R27.2Very low28.2Very low219 Ų219145 Ų14583%0.82681%0.808SS**  trans-137.6145.4161.6-96.3-171.5158.5152.32.6105.4
585E25.9Very low28.4Very low154 Ų154143 Ų14372%0.7280%0.803SS**  cis-163.5148.4-6-130.2167.2-132.100105.8
586S25.4Very low28.5Very low120 Ų120146 Ų14684%0.83981%0.812SS**  trans-159.8131.5161-81.90000110.5
587P35.6Very low28.2Very low137 Ų137143.3 Ų143.389%0.8981%0.806SS**  trans-101.1155.4-166.138.1-35.6000114.6
588G26.7Very low28.4Very low73 Ų73141.5 Ų141.575%0.75380%0.801SS**  trans178.568.9174.900000116.6
589E27.6Very low28.2Very low146 Ų146141.4 Ų141.468%0.68280%0.798SS**  trans38.1120.7152.8-59-160.7104.400123.6
590R28.1Very low27.9Very low208 Ų208142.1 Ų142.179%0.78580%0.8SS**  61.2138.8121.7-60.7168.6176.5170.3-7118.6
591Q27.9Very low27.9Very low171 Ų171144.3 Ų144.380%0.79980%0.8SS**  cis-168.3150.724.2-137.3170.819.500111.6
592S26.8Very low27.9Very low112 Ų112146 Ų14678%0.78380%0.8SS**  trans54.6143.3152.2-89.10000121.6
593T27.4Very low27.9Very low134 Ų134149.5 Ų149.582%0.82280%0.8SS**  cis-151.7154.95.739.30000111
594M23.6Very low27.8Very low177 Ų177150.3 Ų150.387%0.87280%0.801SS**  trans-99.3175.1171.3-76.4-100.7-74.800111.9
595P39.2Very low27.8Very low103 Ų103149 Ų14967%0.66980%0.801SS**  cis-127.7-176.3-46.538.1-22.6000111.4
596P27.8Very low27.9Very low127 Ų127149.2 Ų149.283%0.82581%0.807SS**  -144.5-178.911436.6-20.5000116
597S24.4Very low28.2Very low107 Ų107149.8 Ų149.875%0.74881%0.805SS**  trans-68.7141.4-162.748.90000119.6
598V31.9Very low27.9Very low133 Ų133148.9 Ų148.981%0.80680%0.799SS**  trans10.2131.1145.7-166.60000119.2
599P25.6Very low28Very low116 Ų116154.7 Ų154.775%0.75380%0.804SS**  -134.2128.8125.925.2-7.7000115.3
600V24Very low28.1Very low131 Ų131153.8 Ų153.879%0.79481%0.811SS**  trans49.3122.6141.2-168.90000120.3
601R28.4Very low28.3Very low231 Ų231149 Ų14987%0.87280%0.8SS**  trans-58138.6170.4-68.2174.5172.4160.9-4.1112.4
602K26.2Very low28.4Very low200 Ų200146.6 Ų146.687%0.8780%0.801SS**  trans-113.8123.8154.1-87-175.1174.21780108.7K604K602-K604 PolarHBondContact O-N 3.04Å
603D28.2Very low28.8Very low153 Ų153145.5 Ų145.582%0.81879%0.787SS**  trans-63.1125.8178.3-59.4-62.1000111.2K605D603-K605 PolarHBondContact O-N 2.96Å
604K26.7Very low29.2Very low204 Ų204141.2 Ų141.289%0.88777%0.769SS**  trans-85100.9165.3-90.7-173.2173.9-179.90108.5K602 D606K602-K604 PolarHBondContact O-N 3.04Å; K604-D606 PolarHBondContact O-N 2.83Å
605K27.3Very low29.8Very low193 Ų193135.6 Ų135.684%0.83974%0.742SS**PPolyproline II helixtrans-52.6125.3169.4-153.9176.1-169.7179.30110.2D603D603-K605 PolarHBondContact O-N 2.96Å
606D27.4Very low29.5Very low158 Ų158135.6 Ų135.685%0.84574%0.742SS**PPolyproline II helixtrans-59.4139.9174.8-74.8-61.3000111.7K604K604-D606 PolarHBondContact O-N 2.83Å
607V30.5Very low29.8Very low132 Ų132135.6 Ų135.680%0.874%0.742SS**PPolyproline II helixtrans-98.8118.8172.91790000107.8
608P30.8Very low30.2Very low117 Ų117133.7 Ų133.776%0.7673%0.726SS**PPolyproline II helixtrans-63.2137.8178.3-21.332.6000111.8
609K28.6Very low30.1Very low195 Ų195130.8 Ų130.885%0.84871%0.71SS**PPolyproline II helixtrans-62139.9168.6-70.9175.8179.2174.30109.8
610P29.5Very low30.4Very low128 Ų128135.3 Ų135.383%0.83172%0.718SS**PPolyproline II helixtrans-71.3142.6176.730-34000111.2
611I32.8Very low30.8Very low108 Ų108133.9 Ų133.955%0.55471%0.709SS**PPolyproline II helixtrans-88.3139.6173.5-77.6156.9000109.2N613 R959I611-N613 PolarHBondContact O-N 2.87Å; I611-R959 VanDerWaalsContact CD1-NH2 3.27Å
612S30.1Very low31Very low119 Ų119131.8 Ų131.883%0.83271%0.709SS**  trans-7482.5-175.452.60000112.5
613N34.8Very low31.6Very low90 Ų90130.1 Ų130.148%0.48171%0.706SS.*  trans-76.5124.3163.6-71.32.1000108.8I611 L615I611-N613 PolarHBondContact O-N 2.87Å; N613-L615 PolarHBondContact O-N 3.39Å
614G35.5Very low32.8Very low43 Ų43125 Ų12544%0.44369%0.689SS.*SBendtrans-68.720.4-174.300000117.2
615L35.2Very low34.5Very low60 Ų60115.9 Ų115.931%0.31465%0.652SS.*SBendtrans-90143.6167.1-67.3172.1000108.8N613 L670 Y991N613-L615 PolarHBondContact O-N 3.39Å; L615-L670 HydrophobicContact CD2-CD1 4.05Å; L615-Y991 HydrophobicContact CD1-CE1 3.88Å
616P34.1Very low36.9Very low103 Ų103109.2 Ų109.267%0.66963%0.629SS**  trans-55.6138.6163.427.3-33.5000107.6T618P616-T618 PolarHBondContact O-N 2.93Å
617P33.4Very low39.7Very low127 Ų127103.2 Ų103.283%0.82560%0.596SS**  trans-58.8109.7176.124.2-32.5000107.6
618T33.6Very low42.3Very low67 Ų6798.6 Ų98.641%0.41157%0.57SS.*  trans-51135.4167.3-6.90000106P616 K620P616-T618 PolarHBondContact O-N 2.93Å; T618-K620 PolarHBondContact O-N 3.42Å
619P30.3Very low45Very low71 Ų7196.6 Ų96.646%0.46155%0.549SS..  trans-48.6144.1167.7-22.932.4000107.7F335 V621F335-P619 HydrophobicContact CE1-CG 3.89Å; P619-V621 HydrophobicContact CB-CG2 4.13Å; P619-V621 WeakPolarHBondContact O-CG2 3.18Å; P619-V621 PolarHBondContact O-N 3.22Å
620K30.7Very low47.9Very low212 Ų21288 Ų8892%0.92251%0.513SS*.  trans-68.574.3169.5-75.7-172.9174.1-175.30108.4T618 H622T618-K620 PolarHBondContact O-N 3.42Å; K620-H622 PolarHBondContact O-N 3.2Å
621V33Very low50.8Low101 Ų10182 Ų8261%0.61247%0.474SS*.  trans-67.7119.5173.4-169.90000105.3P619 M623P619-V621 HydrophobicContact CB-CG2 4.13Å; P619-V621 WeakPolarHBondContact O-CG2 3.18Å; P619-V621 PolarHBondContact O-N 3.22Å; V621-M623 PolarHBondContact O-N 2.86Å
622H33.2Very low53.5Low186 Ų18678.9 Ų78.986%0.86146%0.458SS*.SBendtrans-76.213.8-167.1-141.9-50.3000113.9K620K620-H622 PolarHBondContact O-N 3.2Å
623M37.7Very low56.3Low165 Ų16573.7 Ų73.781%0.81342%0.423SS*.SBendtrans-177.8141.4163.9-93.7-98.5-81.800111.3V621V621-M623 PolarHBondContact O-N 2.86Å
624G52.8Low59Low45 Ų4569.5 Ų69.546%0.46440%0.401SS..  trans118.6133.4161.900000116.8
625A63.6Low61.6Low14 Ų1470.4 Ų70.412%0.11640%0.399CS..  trans-82.5155.7169.500000111.9L984 A985A625-L984 HydrophobicContact CB-CD1 3.91Å; A625-L984 HydrophobicContact CB-CG 4.36Å; A625-A985 CarbonylContact C-O 3.56Å; A625-A985 WeakPolarHBondContact CA-O 3.16Å; A625-A985 WeakPolarHBondContact CB-O 3.28Å
626C76.8Confident64.3Low52 Ų5267.7 Ų67.735%0.35139%0.385SS..EExtended strand (participates in β ladder)trans-142.6153.7-178.267.10000112.9S628 A985C626-S628 PolarHBondContact O-N 3.3Å; C626-A985 PolarHBondContact N-O 3.31Å; C626-A985 PolarHBondContact O-N 2.56Å
627F86.2Confident67.2Low32 Ų3268.7 Ų68.714%0.1438%0.379CS..EExtended strand (participates in β ladder)trans-80.7106.5170.6-61.4-30.9000110F912 M917 I931 F938 L967 Y982 L984F627-F912 HydrophobicContact CE1-CE1 4.23Å; F627-F912 HydrophobicContact CZ-CE1 4.37Å; F627-M917 HydrophobicContact CE1-CG 4.1Å; F627-M917 HydrophobicContact CZ-CG 3.79Å; F627-I931 HydrophobicContact CD1-CD1 4Å; F627-I931 HydrophobicContact CD2-CD1 4.41Å; F627-I931 HydrophobicContact CD2-CG2 4.01Å; F627-I931 HydrophobicContact CE1-CD1 3.88Å; F627-I931 HydrophobicContact CE2-CB 4.34Å; F627-I931 HydrophobicContact CE2-CD1 4.31Å; F627-I931 HydrophobicContact CE2-CG2 3.75Å; F627-I931 HydrophobicContact CG-CD1 4.27Å; F627-I931 HydrophobicContact CZ-CB 4.45Å; F627-I931 HydrophobicContact CZ-CD1 4.06Å; F627-I931 HydrophobicContact CZ-CG2 4.34Å; F627-F938 HydrophobicContact CD2-CD1 4.01Å; F627-F938 AromaticContact CD2-CE1 3.54Å; F627-F938 HydrophobicContact CD2-CE1 3.54Å; F627-F938 AromaticContact CD2-CZ 3.99Å; F627-F938 HydrophobicContact CD2-CZ 3.99Å; F627-F938 AromaticContact CE2-CD1 3.77Å; F627-F938 HydrophobicContact CE2-CD1 3.77Å; F627-F938 HydrophobicContact CE2-CD2 4.47Å; F627-F938 AromaticContact CE2-CE1 3.69Å; F627-F938 HydrophobicContact CE2-CE1 3.69Å; F627-F938 HydrophobicContact CE2-CE2 4.4Å; F627-F938 HydrophobicContact CE2-CG 4.17Å; F627-F938 HydrophobicContact CE2-CZ 4.02Å; F627-L967 HydrophobicContact CD1-CD1 4.04Å; F627-L967 HydrophobicContact CE1-CD1 3.9Å; F627-L967 HydrophobicContact CE1-CD2 3.88Å; F627-L967 HydrophobicContact CE2-CD2 4.49Å; F627-L967 HydrophobicContact CZ-CD2 3.83Å; F627-Y982 HydrophobicContact CB-CD1 3.72Å; F627-Y982 HydrophobicContact CB-CE1 4.42Å; F627-Y982 HydrophobicContact CB-CG 4.21Å; F627-L984 HydrophobicContact CD1-CD1 3.87Å; F627-L984 HydrophobicContact CE1-CD1 3.98Å
628S86.1Confident70.1Confident36 Ų3662.7 Ų62.725%0.25234%0.339SS..EExtended strand (participates in β ladder)trans-90.1114.9176.2-68.30000109.9C626 V630 Y982 I983 A985C626-S628 PolarHBondContact O-N 3.3Å; S628-V630 PolarHBondContact O-N 3.45Å; S628-Y982 CarbonylContact O-C 3.57Å; S628-Y982 VanDerWaalsContact O-CA 3.24Å; S628-Y982 WeakPolarHBondContact O-CA 3.19Å; S628-I983 PolarHBondContact N-O 2.88Å; S628-I983 PolarHBondContact O-N 3.35Å; S628-A985 WeakPolarHBondContact OG-CB 3.41Å
629K87.4Confident73Confident74 Ų7461.8 Ų61.832%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-70.5124.9-179.1-165-173.8-58.21760110.3E332 L981 Y982E332-K629 IonicContact OE1-NZ 2.73Å; E332-K629 PolarHBondContact OE1-NZ 2.97Å; K629-L981 CarbonylContact C-O 3.57Å; K629-L981 WeakPolarHBondContact CA-O 3.23Å; K629-Y982 HydrophobicContact CB-CD1 3.77Å; K629-Y982 HydrophobicContact CB-CE1 3.63Å; K629-Y982 WeakPolarHBondContact CE-OH 3.11Å; K629-Y982 HydrophobicContact CG-CD1 4.26Å; K629-Y982 HydrophobicContact CG-CE1 3.94Å; K629-Y982 HydrophobicContact CG-CE2 4.46Å
630V88.6Confident76.1Confident16 Ų1659.3 Ų59.310%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-111.6-18.1-179.9-64.60000113.6S628 L654 L665 L667 L670 L981 I983S628-V630 PolarHBondContact O-N 3.45Å; V630-L654 HydrophobicContact CG2-CD1 4.32Å; V630-L665 HydrophobicContact CB-CD2 4.28Å; V630-L665 HydrophobicContact CG2-CD2 4.16Å; V630-L667 HydrophobicContact CB-CD2 4.47Å; V630-L667 HydrophobicContact CG1-CD2 4.18Å; V630-L670 HydrophobicContact CB-CD2 3.99Å; V630-L670 HydrophobicContact CG1-CD2 4.21Å; V630-L981 HydrophobicContact CG2-CB 4.09Å; V630-L981 PolarHBondContact N-O 2.75Å; V630-I983 HydrophobicContact CG1-CD1 3.95Å; V630-I983 HydrophobicContact CG1-CG1 3.88Å; V630-I983 HydrophobicContact CG1-CG2 4.03Å; V630-I983 HydrophobicContact CG2-CG2 4.29Å
631F90.9Very high79.1Confident2 Ų249.8 Ų49.81%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-148.4136.8176.2-159-86.9000111.4I317 S319 C634 L665 M675 L981I317-F631 HydrophobicContact CG2-CZ 4.14Å; S319-F631 VanDerWaalsContact CB-CE2 3.48Å; S319-F631 VanDerWaalsContact CB-CZ 3.48Å; F631-C634 HydrophobicContact CD1-CB 3.68Å; F631-C634 HydrophobicContact CE1-CB 3.88Å; F631-L665 HydrophobicContact CB-CD2 4.36Å; F631-L665 HydrophobicContact CD2-CD1 4.09Å; F631-L665 HydrophobicContact CD2-CD2 4.27Å; F631-M675 HydrophobicContact CD1-SD 4.35Å; F631-M675 HydrophobicContact CD2-CG 3.84Å; F631-M675 HydrophobicContact CD2-SD 4Å; F631-M675 HydrophobicContact CE1-SD 4.3Å; F631-M675 HydrophobicContact CE2-CB 4.19Å; F631-M675 HydrophobicContact CE2-CG 3.56Å; F631-M675 HydrophobicContact CE2-SD 3.96Å; F631-M675 HydrophobicContact CG-SD 4.18Å; F631-M675 HydrophobicContact CZ-CG 4.1Å; F631-M675 HydrophobicContact CZ-SD 4.08Å; F631-L981 HydrophobicContact CB-CB 3.85Å; F631-L981 HydrophobicContact CB-CD1 3.9Å; F631-L981 HydrophobicContact CB-CG 3.94Å; F631-L981 HydrophobicContact CG-CD1 4.35Å; F631-L981 PolarHBondContact N-O 3.22Å; F631-L981 PolarHBondContact O-N 3.04Å
632N90.1Very high82Confident42 Ų4245.6 Ų45.623%0.22525%0.25CC..EExtended strand (participates in β ladder)trans-105.2131.8179.9-16348.7000110.7S319 T320 C634 N980S319-N632 CarbonylContact C-O 3.53Å; S319-N632 VanDerWaalsContact CA-O 3.28Å; S319-N632 WeakPolarHBondContact CA-O 3.39Å; S319-N632 WeakPolarHBondContact CB-O 2.94Å; S319-N632 WeakPolarHBondContact OG-CB 3.3Å; S319-N632 PolarHBondContact OG-N 3.4Å; T320-N632 PolarHBondContact N-O 3.18Å; T320-N632 PolarHBondContact O-ND2 3.49Å; T320-N632 PolarHBondContact OG1-ND2 2.85Å; T320-N632 PolarHBondContact OG1-O 2.97Å; N632-C634 PolarHBondContact O-N 2.91Å; N632-N980 WeakPolarHBondContact CA-OD1 3.4Å; N632-N980 PolarHBondContact OD1-OD1 3.42Å
633G88.4Confident84.7Confident10 Ų1037.1 Ų37.110%0.10321%0.211CC..EExtended strand (participates in β ladder)trans60.344.2172.700000115.8P635 N980G633-P635 WeakPolarHBondContact O-CD 3.13Å; G633-N980 PolarHBondContact N-OD1 2.94Å; G633-N980 VanDerWaalsContact N-OD1 3.07Å
634C92Very high87.2Confident1 Ų129.6 Ų29.61%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-63.3120.1172.4-171.40000111.3F631 N632 L636 H978 S979 L981F631-C634 HydrophobicContact CD1-CB 3.68Å; F631-C634 HydrophobicContact CE1-CB 3.88Å; N632-C634 PolarHBondContact O-N 2.91Å; C634-L636 VanDerWaalsContact C-N 3.34Å; C634-H978 CarbonylContact O-C 3.56Å; C634-H978 WeakPolarHBondContact O-CB 3.45Å; C634-S979 WeakPolarHBondContact CA-O 3.34Å; C634-S979 WeakPolarHBondContact CB-O 3.21Å; C634-S979 PolarHBondContact N-O 3.31Å; C634-S979 PolarHBondContact O-N 3.14Å; C634-L981 HydrophobicContact CB-CD1 4.25Å; C634-L981 HydrophobicContact CB-CD2 4.36Å; C634-L981 HydrophobicContact CB-CG 4.14Å
635P90.4Very high88.8Confident62 Ų6228.9 Ų28.940%0.40316%0.159SC..  trans-80.9-14.418034-35.8000113.1I317 G633I317-P635 HydrophobicContact CD1-CG 4.36Å; I317-P635 HydrophobicContact CG2-CG 3.92Å; G633-P635 WeakPolarHBondContact O-CD 3.13Å
636L91.8Very high89.8Confident3 Ų328.7 Ų28.72%0.01616%0.156CC..SBendtrans-69.7141.8-174-63.6176.3000112.8V313 I317 C634 I638 A658 E660 Y663 M675V313-L636 HydrophobicContact CG1-CD2 3.9Å; I317-L636 HydrophobicContact CD1-CD1 3.84Å; I317-L636 HydrophobicContact CD1-CD2 3.58Å; I317-L636 HydrophobicContact CD1-CG 3.62Å; C634-L636 VanDerWaalsContact C-N 3.34Å; L636-I638 HydrophobicContact CB-CG1 3.95Å; L636-I638 PolarHBondContact O-N 3Å; L636-I638 VanDerWaalsContact O-N 3.16Å; L636-A658 HydrophobicContact CB-CB 4.16Å; L636-A658 HydrophobicContact CD1-CB 4.3Å; L636-E660 WeakPolarHBondContact CD2-OE2 3.41Å; L636-Y663 HydrophobicContact CD1-CD1 4.04Å; L636-Y663 HydrophobicContact CD1-CD2 3.49Å; L636-Y663 VanDerWaalsContact CD1-CD2 3.49Å; L636-Y663 HydrophobicContact CD1-CE1 4.2Å; L636-Y663 HydrophobicContact CD1-CE2 3.68Å; L636-Y663 HydrophobicContact CD1-CG 3.69Å; L636-Y663 HydrophobicContact CD2-CD2 4.39Å; L636-Y663 HydrophobicContact CD2-CE1 4.44Å; L636-Y663 HydrophobicContact CD2-CE2 3.7Å; L636-Y663 HydrophobicContact CG-CE2 4.36Å; L636-M675 HydrophobicContact CD1-CE 3.7Å
637K93.3Very high90.1Very high125 Ų12528.4 Ų28.454%0.54315%0.154SC..  trans-84.184.6164.1-171.7175.5-176.8175.60109.8A658 E659K637-A658 WeakPolarHBondContact O-CA 3.45Å; K637-E659 HydrophobicContact CB-CB 4.11Å; K637-E659 PolarHBondContact O-N 2.93Å
638I95.1Very high89.8Confident0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-73.6129.3179.8-54.4173000110.2L636 C640 F656 A658 R939 L941 L981L636-I638 HydrophobicContact CB-CG1 3.95Å; L636-I638 PolarHBondContact O-N 3Å; L636-I638 VanDerWaalsContact O-N 3.16Å; I638-C640 WeakPolarHBondContact CG2-O 3.29Å; I638-F656 HydrophobicContact CD1-CB 4.41Å; I638-F656 HydrophobicContact CD1-CD1 3.83Å; I638-F656 HydrophobicContact CD1-CE1 4.36Å; I638-F656 HydrophobicContact CD1-CG 4.27Å; I638-F656 HydrophobicContact CG2-CB 4.12Å; I638-F656 HydrophobicContact CG2-CD1 4.1Å; I638-A658 HydrophobicContact CG1-CB 4.43Å; I638-R939 PolarHBondContact O-NH2 3.29Å; I638-L941 HydrophobicContact CB-CD1 4.32Å; I638-L941 HydrophobicContact CB-CD2 4.08Å; I638-L941 HydrophobicContact CD1-CD1 4.09Å; I638-L941 HydrophobicContact CG2-CD1 4.01Å; I638-L941 HydrophobicContact CG2-CD2 3.91Å; I638-L941 HydrophobicContact CG2-CG 4.46Å; I638-L981 HydrophobicContact CD1-CD1 3.89Å; I638-L981 HydrophobicContact CD1-CD2 3.71Å; I638-L981 HydrophobicContact CD1-CG 4.47Å
639H94.6Very high89.7Confident49 Ų4934.6 Ų34.623%0.22719%0.188CC..EExtended strand (participates in β ladder)trans-91.6-44.4173.5-64.2-65.2000112.1G657 E659 C683H639-G657 PolarHBondContact N-O 2.9Å; H639-E659 IonicContact CD2-OE2 2.62Å; H639-E659 IonicContact CE1-OE2 3.15Å; H639-E659 PolarHBondContact CE1-OE2 2.9Å; H639-E659 IonicContact NE2-OE2 2.72Å; H639-E659 PolarHBondContact NE2-OE2 2.85Å; H639-C683 PolarHBondContact CD2-O 3Å
640C94.6Very high89.6Confident19 Ų1939.9 Ų39.913%0.12821%0.206CC..EExtended strand (participates in β ladder)trans-146.7161.8-173.861.20000112.9I638 F656 G657 W685 L941I638-C640 WeakPolarHBondContact CG2-O 3.29Å; C640-F656 WeakPolarHBondContact O-CA 3.11Å; C640-G657 PolarHBondContact N-O 3.44Å; C640-G657 PolarHBondContact O-N 3.26Å; C640-W685 VanDerWaalsContact SG-CA 3.52Å; C640-L941 CarbonylContact C-O 3.58Å; C640-L941 VanDerWaalsContact CA-O 3.3Å; C640-L941 WeakPolarHBondContact CA-O 3.35Å
641A94.9Very high89.4Confident11 Ų1140.6 Ų40.69%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-142.4153.5174.200000113I655 F656 L941 G942 V966A641-I655 CarbonylContact C-O 3.54Å; A641-I655 VanDerWaalsContact CA-O 3.25Å; A641-I655 WeakPolarHBondContact CA-O 3.1Å; A641-F656 HydrophobicContact CB-CD1 3.79Å; A641-F656 HydrophobicContact CB-CE1 4.12Å; A641-L941 HydrophobicContact CB-CB 3.92Å; A641-L941 PolarHBondContact N-O 2.96Å; A641-G942 WeakPolarHBondContact O-CA 3.18Å; A641-V966 HydrophobicContact CB-CB 4.11Å; A641-V966 HydrophobicContact CB-CG1 4.05Å; A641-V966 HydrophobicContact CB-CG2 4.37Å
642T92.8Very high89.2Confident13 Ų1343 Ų438%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-148.8168.3175.5-177.60000109.3I655 L686 V688 L693 D944T642-I655 HydrophobicContact CG2-CB 4.01Å; T642-I655 PolarHBondContact N-O 3.2Å; T642-I655 PolarHBondContact O-N 3.16Å; T642-L686 HydrophobicContact CG2-CB 3.89Å; T642-L686 HydrophobicContact CG2-CD1 4.16Å; T642-V688 HydrophobicContact CG2-CG2 3.72Å; T642-L693 HydrophobicContact CG2-CD1 4.42Å; T642-D944 PolarHBondContact OG1-OD1 2.91Å
643S90.6Very high89.2Confident8 Ų842.2 Ų42.26%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-113.6152.9173.685.90000112.3Y653 D944 R946S643-Y653 CarbonylContact C-O 3.55Å; S643-Y653 WeakPolarHBondContact CA-O 3.47Å; S643-D944 PolarHBondContact N-OD1 3.38Å; S643-D944 PolarHBondContact OG-OD2 3.41Å; S643-D944 VanDerWaalsContact OG-OD2 3.07Å; S643-R946 PolarHBondContact OG-NH2 3.26Å
644W90.5Very high89.4Confident8 Ų841.7 Ų41.73%0.0321%0.21CC..EExtended strand (participates in β ladder)trans-136.7152.9169.1179.760.6000109.1N646 P647 Y653 I655 V688 N691 L708 F712W644-N646 HydrophobicContact CE3-CB 4.48Å; W644-N646 HydrophobicContact CH2-CB 3.93Å; W644-N646 HydrophobicContact CZ2-CB 4.49Å; W644-N646 HydrophobicContact CZ3-CB 3.92Å; W644-P647 VanDerWaalsContact CZ2-CD 3.5Å; W644-Y653 HydrophobicContact CE3-CD2 4.02Å; W644-Y653 HydrophobicContact CZ3-CD2 4.3Å; W644-Y653 PolarHBondContact N-O 2.86Å; W644-Y653 PolarHBondContact O-N 3.22Å; W644-I655 HydrophobicContact CB-CD1 3.85Å; W644-V688 HydrophobicContact CB-CG1 4.32Å; W644-V688 HydrophobicContact CG-CG1 4.31Å; W644-N691 PolarHBondContact NE1-OD1 3.38Å; W644-L708 HydrophobicContact CB-CD1 4.33Å; W644-L708 HydrophobicContact CD2-CB 4.24Å; W644-L708 HydrophobicContact CD2-CD1 3.82Å; W644-L708 HydrophobicContact CD2-CG 4.45Å; W644-L708 HydrophobicContact CE3-CB 4.44Å; W644-L708 HydrophobicContact CG-CD1 3.68Å; W644-L708 HydrophobicContact CH2-CB 4Å; W644-L708 HydrophobicContact CZ2-CB 3.76Å; W644-L708 HydrophobicContact CZ3-CB 4.33Å; W644-F712 HydrophobicContact CE3-CD2 4.4Å; W644-F712 AromaticContact CE3-CE2 3.8Å; W644-F712 HydrophobicContact CE3-CE2 3.8Å; W644-F712 HydrophobicContact CE3-CZ 4.1Å; W644-F712 HydrophobicContact CH2-CD2 4.4Å; W644-F712 AromaticContact CZ3-CD2 3.72Å; W644-F712 HydrophobicContact CZ3-CD2 3.72Å; W644-F712 HydrophobicContact CZ3-CE1 4.45Å; W644-F712 AromaticContact CZ3-CE2 3.55Å; W644-F712 HydrophobicContact CZ3-CE2 3.55Å; W644-F712 HydrophobicContact CZ3-CG 4.24Å; W644-F712 AromaticContact CZ3-CZ 3.94Å; W644-F712 HydrophobicContact CZ3-CZ 3.94Å
645I87Confident89.6Confident29 Ų2941.7 Ų41.715%0.14921%0.209CC..EExtended strand (participates in β ladder)trans-120.2123.5169.9-56.9-168.5000106.2P647 D651 Q652 L961I645-P647 WeakPolarHBondContact O-CD 3.39Å; I645-D651 WeakPolarHBondContact CA-O 3.46Å; I645-Q652 HydrophobicContact CD1-CG 3.96Å; I645-Q652 HydrophobicContact CG1-CG 4.09Å; I645-L961 HydrophobicContact CD1-CB 4.5Å; I645-L961 HydrophobicContact CD1-CD1 3.74Å; I645-L961 HydrophobicContact CD1-CD2 3.56Å; I645-L961 HydrophobicContact CD1-CG 4.12Å
646N84.7Confident89.8Confident10 Ų1038.7 Ų38.75%0.05319%0.19CC..  trans-63.1121.3177.2-178.1-15.5000108.4W644 D648 T649 R650 D651 Y653W644-N646 HydrophobicContact CE3-CB 4.48Å; W644-N646 HydrophobicContact CH2-CB 3.93Å; W644-N646 HydrophobicContact CZ2-CB 4.49Å; W644-N646 HydrophobicContact CZ3-CB 3.92Å; N646-D648 PolarHBondContact O-N 2.81Å; N646-D648 WeakPolarHBondContact OD1-CB 3.16Å; N646-D648 PolarHBondContact OD1-N 3.36Å; N646-T649 WeakPolarHBondContact CB-OG1 3.28Å; N646-T649 PolarHBondContact ND2-OG1 3.16Å; N646-R650 WeakPolarHBondContact O-CA 3.38Å; N646-R650 PolarHBondContact O-N 3.25Å; N646-D651 PolarHBondContact N-O 2.93Å; N646-Y653 HydrophobicContact CB-CD2 4.37Å; N646-Y653 HydrophobicContact CB-CE2 3.89Å
647P81.6Confident90.1Very high47 Ų4738.6 Ų38.631%0.30519%0.189SC..THydrogen-bonded Turntrans-63.2-30.2-178.427.4-36.7000112.4W644 I645 R650W644-P647 VanDerWaalsContact CZ2-CD 3.5Å; I645-P647 WeakPolarHBondContact O-CD 3.39Å; P647-R650 WeakPolarHBondContact O-CD 3.44Å; P647-R650 PolarHBondContact O-NE 2.86Å; P647-R650 VanDerWaalsContact O-NE 3.1Å
648D80.8Confident90.2Very high129 Ų12932.6 Ų32.669%0.6916%0.164SC*.THydrogen-bonded Turntrans-83-50-172.5-50.5-40.8000111N646N646-D648 PolarHBondContact O-N 2.81Å; N646-D648 WeakPolarHBondContact OD1-CB 3.16Å; N646-D648 PolarHBondContact OD1-N 3.36Å
649T84.3Confident90.1Very high68 Ų6835.7 Ų35.742%0.41718%0.178SC..THydrogen-bonded Turntrans-93.6-15.9-17870.40000114.2N646 D651N646-T649 WeakPolarHBondContact CB-OG1 3.28Å; N646-T649 PolarHBondContact ND2-OG1 3.16Å; T649-D651 WeakPolarHBondContact CB-OD2 3.42Å; T649-D651 PolarHBondContact O-N 2.8Å; T649-D651 PolarHBondContact OG1-N 2.82Å; T649-D651 PolarHBondContact OG1-OD2 3.46Å
650R83.9Confident89.8Confident186 Ų18636.2 Ų36.270%0.70218%0.18SC*.  trans62.811.3-171.3-52.4-58.8-176.5131.24.1115.3N646 P647N646-R650 WeakPolarHBondContact O-CA 3.38Å; N646-R650 PolarHBondContact O-N 3.25Å; P647-R650 WeakPolarHBondContact O-CD 3.44Å; P647-R650 PolarHBondContact O-NE 2.86Å; P647-R650 VanDerWaalsContact O-NE 3.1Å
651D84.9Confident89.8Confident31 Ų3135.3 Ų35.317%0.16617%0.174CC..  trans-68.6143.2174.2-62.7-54.9000112.4I645 N646 T649 Y653 N668I645-D651 WeakPolarHBondContact CA-O 3.46Å; N646-D651 PolarHBondContact N-O 2.93Å; T649-D651 WeakPolarHBondContact CB-OD2 3.42Å; T649-D651 PolarHBondContact O-N 2.8Å; T649-D651 PolarHBondContact OG1-N 2.82Å; T649-D651 PolarHBondContact OG1-OD2 3.46Å; D651-Y653 HydrophobicContact CB-CD2 4.39Å; D651-Y653 HydrophobicContact CB-CE2 3.62Å; D651-N668 WeakPolarHBondContact OD1-CB 3.39Å; D651-N668 VanDerWaalsContact OD1-CG 3.31Å; D651-N668 PolarHBondContact OD1-ND2 2.83Å
652Q87.2Confident89.9Confident51 Ų5134.8 Ų34.824%0.23817%0.17CC..EExtended strand (participates in β ladder)trans-96.5122.6179.3-56.2-167.28.700110.6I645 N666 L667 N668I645-Q652 HydrophobicContact CD1-CG 3.96Å; I645-Q652 HydrophobicContact CG1-CG 4.09Å; Q652-N666 PolarHBondContact O-OD1 3.35Å; Q652-L667 HydrophobicContact CB-CB 4.26Å; Q652-L667 HydrophobicContact CB-CD1 4.36Å; Q652-L667 WeakPolarHBondContact O-CB 3.41Å; Q652-L667 PolarHBondContact O-N 3.47Å; Q652-N668 PolarHBondContact N-OD1 3.5Å
653Y90.1Very high90Very high26 Ų2634.1 Ų34.110%0.10217%0.166CC..EExtended strand (participates in β ladder)trans-113.5135.6179.4-66.5-85.5000110.9S643 W644 N646 D651 L665 N666 F712S643-Y653 CarbonylContact C-O 3.55Å; S643-Y653 WeakPolarHBondContact CA-O 3.47Å; W644-Y653 HydrophobicContact CE3-CD2 4.02Å; W644-Y653 HydrophobicContact CZ3-CD2 4.3Å; W644-Y653 PolarHBondContact N-O 2.86Å; W644-Y653 PolarHBondContact O-N 3.22Å; N646-Y653 HydrophobicContact CB-CD2 4.37Å; N646-Y653 HydrophobicContact CB-CE2 3.89Å; D651-Y653 HydrophobicContact CB-CD2 4.39Å; D651-Y653 HydrophobicContact CB-CE2 3.62Å; Y653-L665 WeakPolarHBondContact CA-O 3.29Å; Y653-N666 HydrophobicContact CD1-CB 3.9Å; Y653-N666 HydrophobicContact CE1-CB 3.54Å; Y653-N666 PolarHBondContact OH-ND2 2.81Å; Y653-F712 AromaticContact CD1-CE1 3.71Å; Y653-F712 HydrophobicContact CD1-CE1 3.71Å; Y653-F712 AromaticContact CD1-CZ 3.83Å; Y653-F712 HydrophobicContact CD1-CZ 3.83Å; Y653-F712 HydrophobicContact CD2-CE1 4.29Å; Y653-F712 HydrophobicContact CD2-CZ 4.22Å; Y653-F712 AromaticContact CE1-CE1 3.55Å; Y653-F712 HydrophobicContact CE1-CE1 3.55Å; Y653-F712 HydrophobicContact CE1-CZ 4.16Å; Y653-F712 HydrophobicContact CE2-CE1 4.14Å; Y653-F712 HydrophobicContact CE2-CZ 4.5Å; Y653-F712 HydrophobicContact CG-CE1 4.09Å; Y653-F712 AromaticContact CG-CZ 3.87Å; Y653-F712 HydrophobicContact CG-CZ 3.87Å; Y653-F712 AromaticContact CZ-CE1 3.78Å
654L92.8Very high90.2Very high0 Ų034 Ų340%017%0.165CC..EExtended strand (participates in β ladder)trans-84.9142.4156-64.4-177.8000109V630 F656 T664 L665 L667 V964 V966 I983V630-L654 HydrophobicContact CG2-CD1 4.32Å; L654-F656 HydrophobicContact CB-CD2 4.4Å; L654-F656 HydrophobicContact CB-CE2 3.55Å; L654-F656 HydrophobicContact CB-CZ 3.63Å; L654-F656 HydrophobicContact CD1-CE2 4.42Å; L654-F656 HydrophobicContact CD1-CZ 3.73Å; L654-F656 HydrophobicContact CG-CZ 4.33Å; L654-T664 CarbonylContact O-C 3.59Å; L654-T664 WeakPolarHBondContact O-CA 3.3Å; L654-T664 PolarHBondContact O-OG1 3.42Å; L654-L665 HydrophobicContact CB-CB 4.44Å; L654-L665 PolarHBondContact N-O 3.44Å; L654-L665 PolarHBondContact O-N 2.83Å; L654-L667 HydrophobicContact CD1-CD2 3.96Å; L654-L667 HydrophobicContact CD2-CD1 4.23Å; L654-L667 HydrophobicContact CG-CD1 4.01Å; L654-L667 HydrophobicContact CG-CD2 4.03Å; L654-L667 HydrophobicContact CG-CG 4.12Å; L654-V964 HydrophobicContact CD2-CG1 4Å; L654-V966 HydrophobicContact CD1-CG1 4.44Å; L654-V966 HydrophobicContact CD1-CG2 4.28Å; L654-V966 HydrophobicContact CD2-CG2 3.84Å; L654-I983 HydrophobicContact CD1-CG2 3.97Å
655I95.1Very high90.2Very high0 Ų033.8 Ų33.80%016%0.164CC..EExtended strand (participates in β ladder)trans-124.7129.1175.4-52.6-179.6000107.9A641 T642 W644 I662 Y663 L686 V688 L693 L708A641-I655 CarbonylContact C-O 3.54Å; A641-I655 VanDerWaalsContact CA-O 3.25Å; A641-I655 WeakPolarHBondContact CA-O 3.1Å; T642-I655 HydrophobicContact CG2-CB 4.01Å; T642-I655 PolarHBondContact N-O 3.2Å; T642-I655 PolarHBondContact O-N 3.16Å; W644-I655 HydrophobicContact CB-CD1 3.85Å; I655-I662 HydrophobicContact CG2-CG2 3.51Å; I655-Y663 CarbonylContact C-O 3.52Å; I655-Y663 WeakPolarHBondContact CA-O 2.99Å; I655-L686 HydrophobicContact CG2-CD1 3.91Å; I655-V688 HydrophobicContact CD1-CG2 4.31Å; I655-L693 HydrophobicContact CG2-CD2 4.25Å; I655-L708 HydrophobicContact CD1-CD2 3.61Å
656F96.3Very high90.3Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-121.2128.9-172.9-57.2-87.2000110.4I638 C640 A641 L654 I662 Y663 L665 M675 L941 V966 L981I638-F656 HydrophobicContact CD1-CB 4.41Å; I638-F656 HydrophobicContact CD1-CD1 3.83Å; I638-F656 HydrophobicContact CD1-CE1 4.36Å; I638-F656 HydrophobicContact CD1-CG 4.27Å; I638-F656 HydrophobicContact CG2-CB 4.12Å; I638-F656 HydrophobicContact CG2-CD1 4.1Å; C640-F656 WeakPolarHBondContact O-CA 3.11Å; A641-F656 HydrophobicContact CB-CD1 3.79Å; A641-F656 HydrophobicContact CB-CE1 4.12Å; L654-F656 HydrophobicContact CB-CD2 4.4Å; L654-F656 HydrophobicContact CB-CE2 3.55Å; L654-F656 HydrophobicContact CB-CZ 3.63Å; L654-F656 HydrophobicContact CD1-CE2 4.42Å; L654-F656 HydrophobicContact CD1-CZ 3.73Å; L654-F656 HydrophobicContact CG-CZ 4.33Å; F656-I662 CarbonylContact O-C 3.34Å; F656-I662 WeakPolarHBondContact O-CA 3.42Å; F656-Y663 PolarHBondContact N-O 3.37Å; F656-Y663 PolarHBondContact O-N 2.67Å; F656-L665 HydrophobicContact CE2-CB 3.84Å; F656-M675 HydrophobicContact CB-CE 4.28Å; F656-M675 HydrophobicContact CD2-CE 3.52Å; F656-M675 HydrophobicContact CE2-CE 3.97Å; F656-M675 HydrophobicContact CE2-SD 4.46Å; F656-M675 HydrophobicContact CG-CE 3.99Å; F656-L941 HydrophobicContact CE1-CD1 4.45Å; F656-V966 HydrophobicContact CE1-CG1 3.85Å; F656-L981 HydrophobicContact CE1-CD1 3.86Å; F656-L981 HydrophobicContact CE2-CD1 4.44Å; F656-L981 HydrophobicContact CZ-CD1 3.79Å
657G96.4Very high90.3Very high0 Ų033.2 Ų33.20%016%0.161CC..EExtended strand (participates in β ladder)trans-97.1117.3171.100000108.8H639 C640 C683H639-G657 PolarHBondContact N-O 2.9Å; C640-G657 PolarHBondContact N-O 3.44Å; C640-G657 PolarHBondContact O-N 3.26Å; G657-C683 CarbonylContact C-O 3.57Å
658A96.4Very high90.3Very high0 Ų033.6 Ų33.60%016%0.161CC..EExtended strand (participates in β ladder)trans-123.4174.1-175.600000112.2L636 K637 I638 E660 G661 Y663 R682 C683L636-A658 HydrophobicContact CB-CB 4.16Å; L636-A658 HydrophobicContact CD1-CB 4.3Å; K637-A658 WeakPolarHBondContact O-CA 3.45Å; I638-A658 HydrophobicContact CG1-CB 4.43Å; A658-E660 PolarHBondContact O-N 2.94Å; A658-G661 PolarHBondContact N-O 3.35Å; A658-Y663 HydrophobicContact CB-CD2 4.35Å; A658-Y663 HydrophobicContact CB-CE2 4.45Å; A658-R682 WeakPolarHBondContact O-CA 3.4Å; A658-C683 PolarHBondContact N-O 3.11Å; A658-C683 PolarHBondContact O-N 3.12Å
659E92.8Very high89.8Confident64 Ų6431 Ų3130%0.29915%0.145SC..SBendtrans-59.1-28.4178.3-167.264.1-158.300112.6K637 H639 R682K637-E659 HydrophobicContact CB-CB 4.11Å; K637-E659 PolarHBondContact O-N 2.93Å; H639-E659 IonicContact CD2-OE2 2.62Å; H639-E659 IonicContact CE1-OE2 3.15Å; H639-E659 PolarHBondContact CE1-OE2 2.9Å; H639-E659 IonicContact NE2-OE2 2.72Å; H639-E659 PolarHBondContact NE2-OE2 2.85Å; E659-R682 WeakPolarHBondContact O-CA 3.34Å; E659-R682 WeakPolarHBondContact O-CB 3.39Å; E659-R682 WeakPolarHBondContact O-CG 3.28Å; E659-R682 WeakPolarHBondContact OE1-CD 3.44Å; E659-R682 IonicContact OE1-CZ 2.83Å; E659-R682 IonicContact OE1-NE 3.39Å; E659-R682 PolarHBondContact OE1-NE 3.09Å; E659-R682 IonicContact OE1-NH1 2.77Å; E659-R682 IonicContact OE1-NH2 3.79Å; E659-R682 PolarHBondContact OE1-NH2 3.08Å; E659-R682 VanDerWaalsContact OE1-NH2 3.17Å; E659-R682 IonicContact OE2-CZ 2.7Å; E659-R682 IonicContact OE2-NE 3.4Å; E659-R682 PolarHBondContact OE2-NE 3.05Å; E659-R682 IonicContact OE2-NH2 3.4Å; E659-R682 PolarHBondContact OE2-NH2 3.16Å
660E88.9Confident88.8Confident60 Ų6029.9 Ų29.928%0.2814%0.136SC..SBendtrans-103.5-21.9-171.7-50.784.8176.300113.3V313 L636 A658 Y663 Q677V313-E660 HydrophobicContact CB-CB 4.46Å; V313-E660 HydrophobicContact CB-CG 4.31Å; V313-E660 HydrophobicContact CG2-CG 3.9Å; L636-E660 WeakPolarHBondContact CD2-OE2 3.41Å; A658-E660 PolarHBondContact O-N 2.94Å; E660-Y663 HydrophobicContact CB-CE2 4.48Å; E660-Q677 PolarHBondContact O-NE2 3.19Å
661G94.1Very high87.3Confident0 Ų028.1 Ų28.10%014%0.135CC..  trans175.6-179.2-174.900000115.6A658 F679 R681A658-G661 PolarHBondContact N-O 3.35Å; G661-F679 CarbonylContact C-O 3.57Å; G661-F679 WeakPolarHBondContact CA-O 3.39Å; G661-R681 WeakPolarHBondContact CA-O 3.49Å
662I96.4Very high85.9Confident0 Ų030.3 Ų30.30%015%0.145CC..EExtended strand (participates in β ladder)trans-93.7126161.4-53.8177.3000107.3I655 F656 L678 F679 C683 L686 L693I655-I662 HydrophobicContact CG2-CG2 3.51Å; F656-I662 CarbonylContact O-C 3.34Å; F656-I662 WeakPolarHBondContact O-CA 3.42Å; I662-L678 PolarHBondContact O-N 2.86Å; I662-F679 HydrophobicContact CB-CB 3.95Å; I662-F679 HydrophobicContact CD1-CB 3.95Å; I662-F679 HydrophobicContact CD1-CD1 3.97Å; I662-F679 HydrophobicContact CD1-CG 4.35Å; I662-F679 HydrophobicContact CG1-CB 4.02Å; I662-F679 HydrophobicContact CG1-CD1 4.32Å; I662-F679 PolarHBondContact N-O 3.12Å; I662-F679 PolarHBondContact O-N 2.68Å; I662-C683 HydrophobicContact CD1-CB 4.47Å; I662-C683 HydrophobicContact CG1-CB 3.71Å; I662-L686 HydrophobicContact CD1-CD2 3.88Å; I662-L686 HydrophobicContact CG1-CD2 4.18Å; I662-L686 HydrophobicContact CG2-CD2 4.25Å; I662-L693 HydrophobicContact CD1-CD2 4.14Å; I662-L693 HydrophobicContact CG2-CD2 4.15Å
663Y95.1Very high85Confident0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-120.6158.5179.5-68.7-99.4000111V313 I317 L636 I655 F656 A658 E660 M675 E676 Q677V313-Y663 WeakPolarHBondContact CG1-OH 3.33Å; I317-Y663 HydrophobicContact CD1-CD1 4.29Å; I317-Y663 HydrophobicContact CD1-CE1 3.69Å; I317-Y663 HydrophobicContact CG1-CE1 4.26Å; L636-Y663 HydrophobicContact CD1-CD1 4.04Å; L636-Y663 HydrophobicContact CD1-CD2 3.49Å; L636-Y663 VanDerWaalsContact CD1-CD2 3.49Å; L636-Y663 HydrophobicContact CD1-CE1 4.2Å; L636-Y663 HydrophobicContact CD1-CE2 3.68Å; L636-Y663 HydrophobicContact CD1-CG 3.69Å; L636-Y663 HydrophobicContact CD2-CD2 4.39Å; L636-Y663 HydrophobicContact CD2-CE1 4.44Å; L636-Y663 HydrophobicContact CD2-CE2 3.7Å; L636-Y663 HydrophobicContact CG-CE2 4.36Å; I655-Y663 CarbonylContact C-O 3.52Å; I655-Y663 WeakPolarHBondContact CA-O 2.99Å; F656-Y663 PolarHBondContact N-O 3.37Å; F656-Y663 PolarHBondContact O-N 2.67Å; A658-Y663 HydrophobicContact CB-CD2 4.35Å; A658-Y663 HydrophobicContact CB-CE2 4.45Å; E660-Y663 HydrophobicContact CB-CE2 4.48Å; Y663-M675 HydrophobicContact CG-CE 4.4Å; Y663-E676 CarbonylContact C-O 3.58Å; Y663-E676 WeakPolarHBondContact CA-O 3.38Å; Y663-Q677 HydrophobicContact CD1-CB 3.79Å; Y663-Q677 HydrophobicContact CD1-CG 4.15Å; Y663-Q677 HydrophobicContact CE1-CB 3.53Å; Y663-Q677 HydrophobicContact CE1-CG 3.76Å; Y663-Q677 HydrophobicContact CE2-CG 4.16Å; Y663-Q677 PolarHBondContact OH-NE2 2.72Å
664T94.2Very high84.7Confident4 Ų430.1 Ų30.13%0.02515%0.15CC..EExtended strand (participates in β ladder)trans-130.3153.5174.4-168.70000112.6L654 M675 E676 L678 F712L654-T664 CarbonylContact O-C 3.59Å; L654-T664 WeakPolarHBondContact O-CA 3.3Å; L654-T664 PolarHBondContact O-OG1 3.42Å; T664-M675 CarbonylContact O-C 3.6Å; T664-M675 WeakPolarHBondContact O-CA 3.28Å; T664-E676 HydrophobicContact CG2-CB 4.25Å; T664-E676 PolarHBondContact N-O 3.15Å; T664-E676 PolarHBondContact O-N 2.81Å; T664-L678 HydrophobicContact CG2-CD1 3.97Å; T664-L678 HydrophobicContact CG2-CD2 4.03Å; T664-L678 HydrophobicContact CG2-CG 3.91Å; T664-F712 HydrophobicContact CG2-CE1 4.03Å; T664-F712 HydrophobicContact CG2-CZ 3.87Å
665L91.9Very high84.5Confident5 Ų530.1 Ų30.13%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-133.2124173.6178.363.8000108.4V630 F631 Y653 L654 F656 T674 M675V630-L665 HydrophobicContact CB-CD2 4.28Å; V630-L665 HydrophobicContact CG2-CD2 4.16Å; F631-L665 HydrophobicContact CB-CD2 4.36Å; F631-L665 HydrophobicContact CD2-CD1 4.09Å; F631-L665 HydrophobicContact CD2-CD2 4.27Å; Y653-L665 WeakPolarHBondContact CA-O 3.29Å; L654-L665 HydrophobicContact CB-CB 4.44Å; L654-L665 PolarHBondContact N-O 3.44Å; L654-L665 PolarHBondContact O-N 2.83Å; F656-L665 HydrophobicContact CE2-CB 3.84Å; L665-T674 VanDerWaalsContact CD1-O 3.27Å; L665-T674 WeakPolarHBondContact CD1-O 3.31Å; L665-M675 HydrophobicContact CB-CG 4.07Å; L665-M675 HydrophobicContact CD1-CG 4.21Å
666N89.2Confident84.2Confident13 Ų1332 Ų327%0.0716%0.158CC..EExtended strand (participates in β ladder)trans-78.4123.1173.5-166.2-13.7000110.1Q652 Y653 N668 E669Q652-N666 PolarHBondContact O-OD1 3.35Å; Y653-N666 HydrophobicContact CD1-CB 3.9Å; Y653-N666 HydrophobicContact CE1-CB 3.54Å; Y653-N666 PolarHBondContact OH-ND2 2.81Å; N666-N668 WeakPolarHBondContact OD1-CB 3.08Å; N666-N668 PolarHBondContact OD1-N 2.94Å; N666-E669 HydrophobicContact CB-CB 4.09Å; N666-E669 PolarHBondContact ND2-OE2 3.03Å
667L84.5Confident84Confident13 Ų1333.3 Ų33.37%0.06816%0.164CC..SBendtrans-81.4-16.7176.7-63.1-179.5000112.8V630 Q652 L654 L670V630-L667 HydrophobicContact CB-CD2 4.47Å; V630-L667 HydrophobicContact CG1-CD2 4.18Å; Q652-L667 HydrophobicContact CB-CB 4.26Å; Q652-L667 HydrophobicContact CB-CD1 4.36Å; Q652-L667 WeakPolarHBondContact O-CB 3.41Å; Q652-L667 PolarHBondContact O-N 3.47Å; L654-L667 HydrophobicContact CD1-CD2 3.96Å; L654-L667 HydrophobicContact CD2-CD1 4.23Å; L654-L667 HydrophobicContact CG-CD1 4.01Å; L654-L667 HydrophobicContact CG-CD2 4.03Å; L654-L667 HydrophobicContact CG-CG 4.12Å; L667-L670 HydrophobicContact CD2-CD2 4.2Å; L667-L670 WeakPolarHBondContact O-CD1 3.34Å; L667-L670 WeakPolarHBondContact O-CG 3.32Å
668N81.1Confident83.8Confident55 Ų5534 Ų3429%0.29417%0.168SC..SBendtrans-78.6-28.6173.5-66.530.2000111D651 Q652 N666D651-N668 WeakPolarHBondContact OD1-CB 3.39Å; D651-N668 VanDerWaalsContact OD1-CG 3.31Å; D651-N668 PolarHBondContact OD1-ND2 2.83Å; Q652-N668 PolarHBondContact N-OD1 3.5Å; N666-N668 WeakPolarHBondContact OD1-CB 3.08Å; N666-N668 PolarHBondContact OD1-N 2.94Å
669E70.1Confident83.5Confident75 Ų7535 Ų3535%0.3517%0.172SC..  trans-109.436.3-176-66.5164.4168.800112.5N666 H671 E672N666-E669 HydrophobicContact CB-CB 4.09Å; N666-E669 PolarHBondContact ND2-OE2 3.03Å; E669-H671 PolarHBondContact O-N 3.39Å; E669-E672 HydrophobicContact CB-CG 4.18Å; E669-E672 WeakPolarHBondContact O-CB 3.47Å; E669-E672 PolarHBondContact O-N 3.32Å
670L64.5Low83.4Confident45 Ų4535 Ų3524%0.23618%0.179CC..THydrogen-bonded Turntrans-53.8-19.8-179.6-76166.8000114.5L615 V630 L667 T673L615-L670 HydrophobicContact CD2-CD1 4.05Å; V630-L670 HydrophobicContact CB-CD2 3.99Å; V630-L670 HydrophobicContact CG1-CD2 4.21Å; L667-L670 HydrophobicContact CD2-CD2 4.2Å; L667-L670 WeakPolarHBondContact O-CD1 3.34Å; L667-L670 WeakPolarHBondContact O-CG 3.32Å; L670-T673 WeakPolarHBondContact O-CG2 3.31Å; L670-T673 PolarHBondContact O-N 3.11Å
671H52Low83.5Confident149 Ų14936.7 Ų36.769%0.6918%0.182SC*.THydrogen-bonded Turntrans-75.3-22.6175.970.2-85.5000113.8E669 T673E669-H671 PolarHBondContact O-N 3.39Å; H671-T673 PolarHBondContact O-N 2.85Å
672E55.5Low83.6Confident77 Ų7741.6 Ų41.636%0.3620%0.201SC..THydrogen-bonded Turntrans-70.6-25.5172.4-68.1-160.8-173.800111.7R316 E669 T674R316-E672 IonicContact CZ-OE2 3.17Å; R316-E672 IonicContact NH2-OE2 2.81Å; R316-E672 PolarHBondContact NH2-OE2 3.14Å; E669-E672 HydrophobicContact CB-CG 4.18Å; E669-E672 WeakPolarHBondContact O-CB 3.47Å; E669-E672 PolarHBondContact O-N 3.32Å; E672-T674 VanDerWaalsContact C-N 3.27Å; E672-T674 WeakPolarHBondContact O-CG2 3.3Å; E672-T674 PolarHBondContact O-N 2.73Å
673T68.1Low83.6Confident59 Ų5941.6 Ų41.636%0.36220%0.201SC..  trans56.533.1176.563.90000114R318 S319 L670 H671R318-T673 CarbonylContact C-O 3.56Å; S319-T673 WeakPolarHBondContact CB-O 3.46Å; S319-T673 PolarHBondContact N-O 3.34Å; L670-T673 WeakPolarHBondContact O-CG2 3.31Å; L670-T673 PolarHBondContact O-N 3.11Å; H671-T673 PolarHBondContact O-N 2.85Å
674T83.3Confident83.6Confident14 Ų1444 Ų449%0.08622%0.215CC..EExtended strand (participates in β ladder)trans-125.6141.3-178.264.90000114.7R316 I317 R318 L665 E672R316-T674 HydrophobicContact CG-CG2 4.28Å; R316-T674 VanDerWaalsContact CZ-OG1 3.24Å; R316-T674 VanDerWaalsContact NE-CB 3.35Å; R316-T674 PolarHBondContact NE-OG1 2.95Å; R316-T674 PolarHBondContact NH2-OG1 3.22Å; I317-T674 CarbonylContact O-C 3.48Å; I317-T674 VanDerWaalsContact O-CA 3.28Å; I317-T674 WeakPolarHBondContact O-CA 3.43Å; R318-T674 HydrophobicContact CB-CG2 4.4Å; R318-T674 HydrophobicContact CG-CG2 3.83Å; L665-T674 VanDerWaalsContact CD1-O 3.27Å; L665-T674 WeakPolarHBondContact CD1-O 3.31Å; E672-T674 VanDerWaalsContact C-N 3.27Å; E672-T674 WeakPolarHBondContact O-CG2 3.3Å; E672-T674 PolarHBondContact O-N 2.73Å
675M88.9Confident83.7Confident0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-97.9138.1164.3-74.5172.864.800110.3R316 I317 F631 L636 F656 Y663 T664 L665 L981R316-M675 CarbonylContact C-O 3.46Å; R316-M675 VanDerWaalsContact CA-O 3.31Å; R316-M675 WeakPolarHBondContact CA-O 3.26Å; I317-M675 HydrophobicContact CB-CB 4.47Å; I317-M675 PolarHBondContact N-O 3.32Å; I317-M675 PolarHBondContact O-N 3.38Å; F631-M675 HydrophobicContact CD1-SD 4.35Å; F631-M675 HydrophobicContact CD2-CG 3.84Å; F631-M675 HydrophobicContact CD2-SD 4Å; F631-M675 HydrophobicContact CE1-SD 4.3Å; F631-M675 HydrophobicContact CE2-CB 4.19Å; F631-M675 HydrophobicContact CE2-CG 3.56Å; F631-M675 HydrophobicContact CE2-SD 3.96Å; F631-M675 HydrophobicContact CG-SD 4.18Å; F631-M675 HydrophobicContact CZ-CG 4.1Å; F631-M675 HydrophobicContact CZ-SD 4.08Å; L636-M675 HydrophobicContact CD1-CE 3.7Å; F656-M675 HydrophobicContact CB-CE 4.28Å; F656-M675 HydrophobicContact CD2-CE 3.52Å; F656-M675 HydrophobicContact CE2-CE 3.97Å; F656-M675 HydrophobicContact CE2-SD 4.46Å; F656-M675 HydrophobicContact CG-CE 3.99Å; Y663-M675 HydrophobicContact CG-CE 4.4Å; T664-M675 CarbonylContact O-C 3.6Å; T664-M675 WeakPolarHBondContact O-CA 3.28Å; L665-M675 HydrophobicContact CB-CG 4.07Å; L665-M675 HydrophobicContact CD1-CG 4.21Å; M675-L981 HydrophobicContact SD-CD1 3.89Å
676E89.2Confident83.8Confident39 Ų3946.4 Ų46.418%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-114.8140-179.9-54-155136.900111.7R316 Y663 T664 Q719R316-E676 VanDerWaalsContact CD-OE1 3.29Å; R316-E676 WeakPolarHBondContact CD-OE1 3.32Å; R316-E676 HydrophobicContact CG-CG 4.19Å; R316-E676 IonicContact CZ-OE1 3.51Å; R316-E676 IonicContact NE-OE1 2.67Å; R316-E676 PolarHBondContact NE-OE1 3.07Å; R316-E676 IonicContact NH1-OE1 2.68Å; R316-E676 PolarHBondContact NH1-OE1 2.87Å; Y663-E676 CarbonylContact C-O 3.58Å; Y663-E676 WeakPolarHBondContact CA-O 3.38Å; T664-E676 HydrophobicContact CG2-CB 4.25Å; T664-E676 PolarHBondContact N-O 3.15Å; T664-E676 PolarHBondContact O-N 2.81Å; E676-Q719 PolarHBondContact OE1-NE2 3.14Å; E676-Q719 PolarHBondContact OE2-NE2 3.35Å
677Q91.9Very high84Confident27 Ų2747 Ų4713%0.12623%0.226CC..EExtended strand (participates in β ladder)trans-84.7117.9179.9-163.1-177.250.700110.9H315 E660 Y663H315-Q677 WeakPolarHBondContact O-CB 3.09Å; H315-Q677 PolarHBondContact O-N 2.78Å; E660-Q677 PolarHBondContact O-NE2 3.19Å; Y663-Q677 HydrophobicContact CD1-CB 3.79Å; Y663-Q677 HydrophobicContact CD1-CG 4.15Å; Y663-Q677 HydrophobicContact CE1-CB 3.53Å; Y663-Q677 HydrophobicContact CE1-CG 3.76Å; Y663-Q677 HydrophobicContact CE2-CG 4.16Å; Y663-Q677 PolarHBondContact OH-NE2 2.72Å
678L91Very high84.3Confident15 Ų1547.3 Ų47.38%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-90.1-33176-62.8179.2000112.6I662 T664 L711 F712 A715I662-L678 PolarHBondContact O-N 2.86Å; T664-L678 HydrophobicContact CG2-CD1 3.97Å; T664-L678 HydrophobicContact CG2-CD2 4.03Å; T664-L678 HydrophobicContact CG2-CG 3.91Å; L678-L711 HydrophobicContact CB-CD1 4.34Å; L678-F712 HydrophobicContact CD1-CD2 4.11Å; L678-F712 HydrophobicContact CD1-CE2 3.56Å; L678-F712 HydrophobicContact CD1-CZ 4.03Å; L678-F712 HydrophobicContact CD2-CD2 4.2Å; L678-F712 HydrophobicContact CD2-CE2 4.27Å; L678-F712 HydrophobicContact CD2-CG 4.4Å; L678-A715 HydrophobicContact CD2-CB 4.05Å
679F91.8Very high84.6Confident20 Ų2044.8 Ų44.89%0.08822%0.215CC..EExtended strand (participates in β ladder)trans-146.3114.5-176.6-169.1-118.7000112G661 I662 R681 Y704 H706G661-F679 CarbonylContact C-O 3.57Å; G661-F679 WeakPolarHBondContact CA-O 3.39Å; I662-F679 HydrophobicContact CB-CB 3.95Å; I662-F679 HydrophobicContact CD1-CB 3.95Å; I662-F679 HydrophobicContact CD1-CD1 3.97Å; I662-F679 HydrophobicContact CD1-CG 4.35Å; I662-F679 HydrophobicContact CG1-CB 4.02Å; I662-F679 HydrophobicContact CG1-CD1 4.32Å; I662-F679 PolarHBondContact N-O 3.12Å; I662-F679 PolarHBondContact O-N 2.68Å; F679-R681 HydrophobicContact CD1-CB 3.95Å; F679-R681 HydrophobicContact CD1-CG 4.26Å; F679-R681 HydrophobicContact CE1-CB 3.7Å; F679-R681 HydrophobicContact CE1-CG 3.77Å; F679-R681 HydrophobicContact CZ-CB 4.46Å; F679-R681 HydrophobicContact CZ-CG 4.03Å; F679-R681 PolarHBondContact O-N 3.25Å; F679-Y704 HydrophobicContact CE1-CD1 4.39Å; F679-Y704 HydrophobicContact CE1-CE1 4.42Å; F679-Y704 AromaticContact CZ-CD1 3.93Å; F679-Y704 HydrophobicContact CZ-CD1 3.93Å; F679-Y704 AromaticContact CZ-CE1 3.82Å; F679-Y704 HydrophobicContact CZ-CE1 3.82Å; F679-H706 AromaticContact CD1-CE1 3.68Å; F679-H706 AromaticContact CE1-CE1 3.62Å; F679-H706 AromaticContact CE2-CE1 3.97Å; F679-H706 AromaticContact CG-CE1 3.87Å; F679-H706 AromaticContact CZ-CE1 3.77Å
680P90.8Very high85.3Confident66 Ų6643.9 Ų43.943%0.42921%0.213SC..  trans-83.958.7-172.334.7-37.5000112.4
681R90.6Very high86.3Confident94 Ų9444.9 Ų44.936%0.35522%0.218SC..SBendtrans-143.7134.1171.9-59.6-171.2-175.2-106.8-5.2110G661 F679 C683G661-R681 WeakPolarHBondContact CA-O 3.49Å; F679-R681 HydrophobicContact CD1-CB 3.95Å; F679-R681 HydrophobicContact CD1-CG 4.26Å; F679-R681 HydrophobicContact CE1-CB 3.7Å; F679-R681 HydrophobicContact CE1-CG 3.77Å; F679-R681 HydrophobicContact CZ-CB 4.46Å; F679-R681 HydrophobicContact CZ-CG 4.03Å; F679-R681 PolarHBondContact O-N 3.25Å; R681-C683 PolarHBondContact O-N 3.01Å
682R94.7Very high88.2Confident104 Ų10438.3 Ų38.339%0.39219%0.189SC..  trans-31.3126.3166.7-176.9176.9-164.9-168.917.1111.4A658 E659 S697 G698A658-R682 WeakPolarHBondContact O-CA 3.4Å; E659-R682 WeakPolarHBondContact O-CA 3.34Å; E659-R682 WeakPolarHBondContact O-CB 3.39Å; E659-R682 WeakPolarHBondContact O-CG 3.28Å; E659-R682 WeakPolarHBondContact OE1-CD 3.44Å; E659-R682 IonicContact OE1-CZ 2.83Å; E659-R682 IonicContact OE1-NE 3.39Å; E659-R682 PolarHBondContact OE1-NE 3.09Å; E659-R682 IonicContact OE1-NH1 2.77Å; E659-R682 IonicContact OE1-NH2 3.79Å; E659-R682 PolarHBondContact OE1-NH2 3.08Å; E659-R682 VanDerWaalsContact OE1-NH2 3.17Å; E659-R682 IonicContact OE2-CZ 2.7Å; E659-R682 IonicContact OE2-NE 3.4Å; E659-R682 PolarHBondContact OE2-NE 3.05Å; E659-R682 IonicContact OE2-NH2 3.4Å; E659-R682 PolarHBondContact OE2-NH2 3.16Å; R682-S697 CarbonylContact O-C 3.56Å; R682-S697 WeakPolarHBondContact O-CA 3.49Å; R682-S697 WeakPolarHBondContact O-CB 3.14Å; R682-S697 PolarHBondContact O-OG 3.22Å; R682-G698 PolarHBondContact O-N 2.98Å
683C96.8Very high90Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-132.5121.5-178.9-175.50000110.3H639 G657 A658 I662 R681 W685 L686 I696 S697H639-C683 PolarHBondContact CD2-O 3Å; G657-C683 CarbonylContact C-O 3.57Å; A658-C683 PolarHBondContact N-O 3.11Å; A658-C683 PolarHBondContact O-N 3.12Å; I662-C683 HydrophobicContact CD1-CB 4.47Å; I662-C683 HydrophobicContact CG1-CB 3.71Å; R681-C683 PolarHBondContact O-N 3.01Å; C683-W685 PolarHBondContact SG-O 2.66Å; C683-W685 VanDerWaalsContact SG-O 3.36Å; C683-L686 WeakPolarHBondContact SG-CD2 3.37Å; C683-I696 WeakPolarHBondContact CA-O 3.41Å; C683-S697 WeakPolarHBondContact CB-OG 3.48Å
684T95.4Very high91.3Very high49 Ų4932 Ų3230%0.30116%0.155SC..EExtended strand (participates in β ladder)trans-107.3-14.4-175.653.10000113.7I696T684-I696 PolarHBondContact N-O 2.92Å; T684-I696 VanDerWaalsContact N-O 3.09Å
685W95.8Very high92Very high46 Ų4631.3 Ų31.317%0.17415%0.151CC..EExtended strand (participates in β ladder)trans-151.1140.9179.9-178.692000109.9C640 C683 Y687 L694 S695 I696 L703 C754 V756 L767C640-W685 VanDerWaalsContact SG-CA 3.52Å; C683-W685 PolarHBondContact SG-O 2.66Å; C683-W685 VanDerWaalsContact SG-O 3.36Å; W685-Y687 HydrophobicContact CH2-CG 4.15Å; W685-Y687 HydrophobicContact CZ2-CG 4.39Å; W685-L694 HydrophobicContact CH2-CB 4.39Å; W685-L694 HydrophobicContact CH2-CD1 4.47Å; W685-L694 HydrophobicContact CZ3-CB 3.79Å; W685-S695 VanDerWaalsContact O-CA 3.22Å; W685-S695 WeakPolarHBondContact O-CA 3.16Å; W685-I696 HydrophobicContact CB-CB 4.1Å; W685-I696 HydrophobicContact CB-CD1 3.86Å; W685-I696 HydrophobicContact CB-CG1 3.96Å; W685-I696 HydrophobicContact CE3-CG1 4.2Å; W685-I696 HydrophobicContact CG-CD1 4.29Å; W685-I696 HydrophobicContact CG-CG1 4.49Å; W685-I696 PolarHBondContact O-N 3.35Å; W685-L703 HydrophobicContact CZ3-CD2 4.41Å; W685-C754 HydrophobicContact CD2-CB 3.78Å; W685-C754 HydrophobicContact CE3-CB 3.99Å; W685-C754 HydrophobicContact CG-CB 4.43Å; W685-C754 HydrophobicContact CH2-CB 3.77Å; W685-C754 HydrophobicContact CZ2-CB 3.55Å; W685-C754 HydrophobicContact CZ3-CB 3.98Å; W685-C754 PolarHBondContact NE1-O 3.12Å; W685-V756 HydrophobicContact CH2-CG2 3.98Å; W685-V756 HydrophobicContact CZ2-CG2 4.18Å; W685-L767 HydrophobicContact CH2-CD1 3.91Å
686L95.3Very high92.3Very high15 Ų1531.3 Ų31.38%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-134.4146.1178.2-68.9174.4000110.1T642 I655 I662 C683 L693 L694T642-L686 HydrophobicContact CG2-CB 3.89Å; T642-L686 HydrophobicContact CG2-CD1 4.16Å; I655-L686 HydrophobicContact CG2-CD1 3.91Å; I662-L686 HydrophobicContact CD1-CD2 3.88Å; I662-L686 HydrophobicContact CG1-CD2 4.18Å; I662-L686 HydrophobicContact CG2-CD2 4.25Å; C683-L686 WeakPolarHBondContact SG-CD2 3.37Å; L686-L693 HydrophobicContact CB-CD1 4.32Å; L686-L693 HydrophobicContact CD2-CD1 3.91Å; L686-L693 HydrophobicContact CD2-CD2 4.09Å; L686-L693 HydrophobicContact CD2-CG 4.23Å; L686-L694 WeakPolarHBondContact CA-O 3.36Å
687Y93.1Very high92.7Very high24 Ų2429.6 Ų29.69%0.09414%0.143CC..EExtended strand (participates in β ladder)trans-150.7129168.1-179.7-97.3000110.5W685 M689 L694 V756 A947W685-Y687 HydrophobicContact CH2-CG 4.15Å; W685-Y687 HydrophobicContact CZ2-CG 4.39Å; Y687-M689 HydrophobicContact CD1-CB 4.36Å; Y687-M689 HydrophobicContact CE1-CB 3.78Å; Y687-M689 HydrophobicContact CE1-CG 4.26Å; Y687-M689 HydrophobicContact CE1-SD 4.06Å; Y687-L694 HydrophobicContact CD1-CD1 4.3Å; Y687-L694 PolarHBondContact N-O 3.26Å; Y687-L694 PolarHBondContact O-N 3.33Å; Y687-V756 HydrophobicContact CD1-CB 4.27Å; Y687-V756 HydrophobicContact CD1-CG1 4.32Å; Y687-V756 HydrophobicContact CD1-CG2 3.81Å; Y687-V756 HydrophobicContact CD2-CB 4.27Å; Y687-V756 HydrophobicContact CD2-CG2 4.31Å; Y687-V756 HydrophobicContact CE1-CB 3.95Å; Y687-V756 HydrophobicContact CE1-CG1 3.58Å; Y687-V756 HydrophobicContact CE1-CG2 3.93Å; Y687-V756 HydrophobicContact CE2-CB 3.97Å; Y687-V756 HydrophobicContact CE2-CG1 4.19Å; Y687-V756 HydrophobicContact CE2-CG2 4.44Å; Y687-V756 HydrophobicContact CG-CB 4.42Å; Y687-V756 HydrophobicContact CG-CG2 4.01Å; Y687-A947 WeakPolarHBondContact OH-CB 3.37Å
688V91.1Very high92.6Very high20 Ų2028.7 Ų28.712%0.12114%0.142CC..EExtended strand (participates in β ladder)trans-100.7134.9177.61760000109.9T642 W644 I655 L693 L708T642-V688 HydrophobicContact CG2-CG2 3.72Å; W644-V688 HydrophobicContact CB-CG1 4.32Å; W644-V688 HydrophobicContact CG-CG1 4.31Å; I655-V688 HydrophobicContact CD1-CG2 4.31Å; V688-L693 HydrophobicContact CG2-CD1 3.54Å; V688-L708 HydrophobicContact CG1-CD1 3.83Å; V688-L708 HydrophobicContact CG2-CD1 4.2Å
689M86.4Confident92.5Very high2 Ų238.4 Ų38.41%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-144.3125.6171.1-159.7169.367.100109.8Y687 N691 C692 K765 W780 F787Y687-M689 HydrophobicContact CD1-CB 4.36Å; Y687-M689 HydrophobicContact CE1-CB 3.78Å; Y687-M689 HydrophobicContact CE1-CG 4.26Å; Y687-M689 HydrophobicContact CE1-SD 4.06Å; M689-N691 PolarHBondContact O-N 3.09Å; M689-C692 PolarHBondContact N-O 2.84Å; M689-C692 WeakPolarHBondContact O-CA 3.43Å; M689-C692 WeakPolarHBondContact O-CB 3.3Å; M689-C692 PolarHBondContact O-N 3.37Å; M689-K765 HydrophobicContact CE-CD 4.27Å; M689-K765 HydrophobicContact SD-CB 4.42Å; M689-K765 HydrophobicContact SD-CD 3.43Å; M689-K765 WeakPolarHBondContact SD-CD 3.4Å; M689-W780 HydrophobicContact CE-CB 4.13Å; M689-W780 HydrophobicContact CE-CD2 3.14Å; M689-W780 HydrophobicContact CE-CE3 3.14Å; M689-W780 HydrophobicContact CE-CG 3.6Å; M689-W780 HydrophobicContact CE-CH2 3.85Å; M689-W780 HydrophobicContact CE-CZ2 3.89Å; M689-W780 HydrophobicContact CE-CZ3 3.49Å; M689-W780 VanDerWaalsContact CE-CZ3 3.49Å; M689-F787 HydrophobicContact CE-CD2 4.48Å; M689-F787 HydrophobicContact CE-CE2 3.42Å; M689-F787 VanDerWaalsContact CE-CE2 3.42Å; M689-F787 HydrophobicContact CE-CZ 3.49Å; M689-F787 VanDerWaalsContact CE-CZ 3.49Å; M689-F787 HydrophobicContact SD-CE2 4.44Å; M689-F787 HydrophobicContact SD-CZ 4.14Å
690N84.4Confident92.3Very high57 Ų5740 Ų4031%0.30520%0.2SC..THydrogen-bonded Turntrans49.2-123-166.5-55.9-9000109.9E782 Q785N690-E782 PolarHBondContact ND2-OE1 2.92Å; N690-Q785 PolarHBondContact ND2-OE1 3.22Å; N690-Q785 VanDerWaalsContact ND2-OE1 3.15Å
691N87.4Confident92.4Very high66 Ų6638.7 Ų38.735%0.35319%0.192SC..THydrogen-bonded Turntrans-102.717.1173.8-63.2-30.8000113.3W644 M689 L708W644-N691 PolarHBondContact NE1-OD1 3.38Å; M689-N691 PolarHBondContact O-N 3.09Å; N691-L708 WeakPolarHBondContact O-CB 3.33Å; N691-L708 PolarHBondContact O-N 3.24Å
692C90.5Very high92.7Very high11 Ų1135.1 Ų35.17%0.07418%0.179CC..EExtended strand (participates in β ladder)trans-104.2118.4177.8-172.30000109.7M689 S705 H706 W780M689-C692 PolarHBondContact N-O 2.84Å; M689-C692 WeakPolarHBondContact O-CA 3.43Å; M689-C692 WeakPolarHBondContact O-CB 3.3Å; M689-C692 PolarHBondContact O-N 3.37Å; C692-S705 PolarHBondContact SG-OG 3.24Å; C692-H706 WeakPolarHBondContact CA-O 3.38Å; C692-W780 HydrophobicContact CB-CH2 4.22Å
693L94.3Very high92.7Very high0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-93.3123.7167.7175.669.9000108.8T642 I655 I662 L686 V688 H706 L708T642-L693 HydrophobicContact CG2-CD1 4.42Å; I655-L693 HydrophobicContact CG2-CD2 4.25Å; I662-L693 HydrophobicContact CD1-CD2 4.14Å; I662-L693 HydrophobicContact CG2-CD2 4.15Å; L686-L693 HydrophobicContact CB-CD1 4.32Å; L686-L693 HydrophobicContact CD2-CD1 3.91Å; L686-L693 HydrophobicContact CD2-CD2 4.09Å; L686-L693 HydrophobicContact CD2-CG 4.23Å; V688-L693 HydrophobicContact CG2-CD1 3.54Å; L693-H706 HydrophobicContact CB-CB 4.27Å; L693-H706 PolarHBondContact N-O 2.91Å; L693-H706 PolarHBondContact O-CD2 3.12Å; L693-H706 VanDerWaalsContact O-CD2 3.3Å; L693-H706 PolarHBondContact O-N 3.47Å; L693-L708 HydrophobicContact CB-CD1 4.02Å; L693-L708 HydrophobicContact CB-CD2 3.74Å; L693-L708 HydrophobicContact CB-CG 3.71Å; L693-L708 HydrophobicContact CD2-CD2 4.08Å; L693-L708 HydrophobicContact CG-CD2 4.45Å
694L95.1Very high92.6Very high2 Ų230.8 Ų30.81%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-93.4144.9166-59.8-179.1000110.1W685 L686 Y687 Y704 L767 F787W685-L694 HydrophobicContact CH2-CB 4.39Å; W685-L694 HydrophobicContact CH2-CD1 4.47Å; W685-L694 HydrophobicContact CZ3-CB 3.79Å; L686-L694 WeakPolarHBondContact CA-O 3.36Å; Y687-L694 HydrophobicContact CD1-CD1 4.3Å; Y687-L694 PolarHBondContact N-O 3.26Å; Y687-L694 PolarHBondContact O-N 3.33Å; L694-Y704 WeakPolarHBondContact CA-O 3.44Å; L694-L767 HydrophobicContact CD1-CD1 4.2Å; L694-L767 HydrophobicContact CD1-CD2 3.83Å; L694-F787 HydrophobicContact CD1-CD2 3.8Å; L694-F787 HydrophobicContact CD1-CE2 3.62Å; L694-F787 HydrophobicContact CD2-CD2 4.4Å
695S96.8Very high92.5Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-144.7149.6173.775.30000113W685 S697 L703 Y704 H706W685-S695 VanDerWaalsContact O-CA 3.22Å; W685-S695 WeakPolarHBondContact O-CA 3.16Å; S695-S697 PolarHBondContact OG-OG 3.25Å; S695-L703 CarbonylContact O-C 3.52Å; S695-L703 WeakPolarHBondContact O-CA 3.49Å; S695-Y704 PolarHBondContact N-O 3.42Å; S695-Y704 PolarHBondContact O-N 3.36Å; S695-H706 PolarHBondContact OG-NE2 3.1Å
696I97.1Very high92.4Very high1 Ų127.5 Ų27.51%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-92.3113.6158.1-60.2175.7000106.7C683 T684 W685 L703 C754C683-I696 WeakPolarHBondContact CA-O 3.41Å; T684-I696 PolarHBondContact N-O 2.92Å; T684-I696 VanDerWaalsContact N-O 3.09Å; W685-I696 HydrophobicContact CB-CB 4.1Å; W685-I696 HydrophobicContact CB-CD1 3.86Å; W685-I696 HydrophobicContact CB-CG1 3.96Å; W685-I696 HydrophobicContact CE3-CG1 4.2Å; W685-I696 HydrophobicContact CG-CD1 4.29Å; W685-I696 HydrophobicContact CG-CG1 4.49Å; W685-I696 PolarHBondContact O-N 3.35Å; I696-L703 HydrophobicContact CG1-CD2 3.76Å; I696-L703 HydrophobicContact CG1-CG 4.42Å; I696-C754 HydrophobicContact CD1-CB 4.12Å
697S95.7Very high92.2Very high2 Ų229.4 Ų29.41%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-140.5154.7-170.1-85.40000116.5R682 C683 S695 Q702 Y704R682-S697 CarbonylContact O-C 3.56Å; R682-S697 WeakPolarHBondContact O-CA 3.49Å; R682-S697 WeakPolarHBondContact O-CB 3.14Å; R682-S697 PolarHBondContact O-OG 3.22Å; C683-S697 WeakPolarHBondContact CB-OG 3.48Å; S695-S697 PolarHBondContact OG-OG 3.25Å; S697-Q702 PolarHBondContact N-O 3.46Å; S697-Q702 PolarHBondContact O-N 3.05Å; S697-Y704 WeakPolarHBondContact O-CE2 3.45Å
698G91.5Very high92.1Very high9 Ų928.2 Ų28.29%0.09316%0.159CC..THydrogen-bonded Turntrans79.2171.9175.600000114.9R682 A700 S701R682-G698 PolarHBondContact O-N 2.98Å; G698-A700 PolarHBondContact O-N 3.14Å; G698-S701 PolarHBondContact O-N 2.77Å
699K88.1Confident92Very high219 Ų21929.3 Ų29.395%0.95217%0.167SC*.THydrogen-bonded Turntrans-57.8-22.2-174.5-63.2-169.3178-170.60115.2
700A88.6Confident92Very high52 Ų5230 Ų3043%0.4318%0.175SC..THydrogen-bonded Turntrans-97.47.7-18000000113.5G698 Q702 G750G698-A700 PolarHBondContact O-N 3.14Å; A700-Q702 PolarHBondContact O-N 3.43Å; A700-G750 PolarHBondContact O-N 3.3Å
701S92.9Very high92.2Very high39 Ų3927.4 Ų27.427%0.27316%0.161SC..THydrogen-bonded Turntrans42.165.3-174.6-55.60000111.9G698 G750 C751G698-S701 PolarHBondContact O-N 2.77Å; S701-G750 PolarHBondContact O-N 2.85Å; S701-C751 VanDerWaalsContact CB-O 3.31Å; S701-C751 WeakPolarHBondContact CB-O 3.31Å; S701-C751 WeakPolarHBondContact O-CB 3.46Å; S701-C751 PolarHBondContact O-N 3.12Å
702Q95.1Very high92.1Very high19 Ų1925.4 Ų25.49%0.08915%0.15CC..EExtended strand (participates in β ladder)trans-106.1148.5-176.3-173.7170.55.800110.5S697 A700 Y704 I745 T748 K749S697-Q702 PolarHBondContact N-O 3.46Å; S697-Q702 PolarHBondContact O-N 3.05Å; A700-Q702 PolarHBondContact O-N 3.43Å; Q702-Y704 HydrophobicContact CB-CE2 4.13Å; Q702-Y704 VanDerWaalsContact O-CD2 3.27Å; Q702-Y704 WeakPolarHBondContact O-CD2 3.22Å; Q702-I745 PolarHBondContact NE2-O 3.25Å; Q702-T748 WeakPolarHBondContact CA-O 3.38Å; Q702-T748 WeakPolarHBondContact CG-OG1 3.4Å; Q702-K749 HydrophobicContact CB-CG 4.4Å; Q702-K749 HydrophobicContact CG-CG 4.21Å
703L95.5Very high91.7Very high1 Ų127.9 Ų27.91%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-73.6134.6172.4-78.5165.9000111.9W685 S695 I696 I745 T748W685-L703 HydrophobicContact CZ3-CD2 4.41Å; S695-L703 CarbonylContact O-C 3.52Å; S695-L703 WeakPolarHBondContact O-CA 3.49Å; I696-L703 HydrophobicContact CG1-CD2 3.76Å; I696-L703 HydrophobicContact CG1-CG 4.42Å; L703-I745 HydrophobicContact CB-CB 4.11Å; L703-I745 HydrophobicContact CB-CD1 3.98Å; L703-I745 HydrophobicContact CB-CG1 4.15Å; L703-I745 PolarHBondContact O-N 3.04Å; L703-T748 HydrophobicContact CB-CG2 4.21Å; L703-T748 HydrophobicContact CD1-CG2 3.92Å; L703-T748 PolarHBondContact N-OG1 3.22Å
704Y95Very high91Very high13 Ų1331.5 Ų31.55%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-121.3149.9171.5-70.1-109.6000110.2F679 L694 S695 S697 Q702 H706 N743 K744F679-Y704 HydrophobicContact CE1-CD1 4.39Å; F679-Y704 HydrophobicContact CE1-CE1 4.42Å; F679-Y704 AromaticContact CZ-CD1 3.93Å; F679-Y704 HydrophobicContact CZ-CD1 3.93Å; F679-Y704 AromaticContact CZ-CE1 3.82Å; F679-Y704 HydrophobicContact CZ-CE1 3.82Å; L694-Y704 WeakPolarHBondContact CA-O 3.44Å; S695-Y704 PolarHBondContact N-O 3.42Å; S695-Y704 PolarHBondContact O-N 3.36Å; S697-Y704 WeakPolarHBondContact O-CE2 3.45Å; Q702-Y704 HydrophobicContact CB-CE2 4.13Å; Q702-Y704 VanDerWaalsContact O-CD2 3.27Å; Q702-Y704 WeakPolarHBondContact O-CD2 3.22Å; Y704-H706 VanDerWaalsContact CB-NE2 3.33Å; Y704-H706 WeakPolarHBondContact CB-NE2 3.43Å; Y704-N743 CarbonylContact C-O 3.54Å; Y704-N743 VanDerWaalsContact CA-O 3.28Å; Y704-N743 WeakPolarHBondContact CA-O 3.17Å; Y704-K744 HydrophobicContact CD1-CG 3.91Å; Y704-K744 HydrophobicContact CE1-CB 4.46Å; Y704-K744 HydrophobicContact CE1-CD 4.23Å; Y704-K744 HydrophobicContact CE1-CG 3.31Å; Y704-K744 HydrophobicContact CE2-CG 4.35Å; Y704-K744 WeakPolarHBondContact OH-CE 3.49Å
705S93.6Very high90.1Very high26 Ų2632 Ų3218%0.18218%0.182CC..EExtended strand (participates in β ladder)trans-116.7127.4164.9165.10000107.9C692 N743C692-S705 PolarHBondContact SG-OG 3.24Å; S705-N743 PolarHBondContact N-O 3.12Å; S705-N743 PolarHBondContact O-N 3.12Å
706H93.3Very high88.8Confident0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-121.5133.6-177.2-48.1-95.2000109.7F679 C692 L693 S695 Y704 L708 L711 V741 S742F679-H706 AromaticContact CD1-CE1 3.68Å; F679-H706 AromaticContact CE1-CE1 3.62Å; F679-H706 AromaticContact CE2-CE1 3.97Å; F679-H706 AromaticContact CG-CE1 3.87Å; F679-H706 AromaticContact CZ-CE1 3.77Å; C692-H706 WeakPolarHBondContact CA-O 3.38Å; L693-H706 HydrophobicContact CB-CB 4.27Å; L693-H706 PolarHBondContact N-O 2.91Å; L693-H706 PolarHBondContact O-CD2 3.12Å; L693-H706 VanDerWaalsContact O-CD2 3.3Å; L693-H706 PolarHBondContact O-N 3.47Å; S695-H706 PolarHBondContact OG-NE2 3.1Å; Y704-H706 VanDerWaalsContact CB-NE2 3.33Å; Y704-H706 WeakPolarHBondContact CB-NE2 3.43Å; H706-L708 PolarHBondContact O-N 3.1Å; H706-L711 HydrophobicContact CB-CD1 3.57Å; H706-L711 HydrophobicContact CB-CG 4.14Å; H706-V741 WeakPolarHBondContact CA-O 3.12Å; H706-S742 WeakPolarHBondContact ND1-CB 3.28Å; H706-S742 PolarHBondContact ND1-OG 3.3Å
707S91.8Very high87.4Confident54 Ų5442 Ų4238%0.37822%0.224SC..EExtended strand (participates in β ladder)trans-72.5119.2163.8175.90000108.4G710 L711 V741S707-G710 PolarHBondContact O-N 2.95Å; S707-G710 PolarHBondContact OG-N 2.94Å; S707-L711 WeakPolarHBondContact O-CB 3.46Å; S707-L711 WeakPolarHBondContact O-CG 3.46Å; S707-L711 PolarHBondContact O-N 2.6Å; S707-V741 PolarHBondContact N-O 3.01Å
708L90.6Very high85.6Confident0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-65.6-53.5178.5-79.5164.5000111.1W644 I655 V688 N691 L693 H706 G710 L711 F712W644-L708 HydrophobicContact CB-CD1 4.33Å; W644-L708 HydrophobicContact CD2-CB 4.24Å; W644-L708 HydrophobicContact CD2-CD1 3.82Å; W644-L708 HydrophobicContact CD2-CG 4.45Å; W644-L708 HydrophobicContact CE3-CB 4.44Å; W644-L708 HydrophobicContact CG-CD1 3.68Å; W644-L708 HydrophobicContact CH2-CB 4Å; W644-L708 HydrophobicContact CZ2-CB 3.76Å; W644-L708 HydrophobicContact CZ3-CB 4.33Å; I655-L708 HydrophobicContact CD1-CD2 3.61Å; V688-L708 HydrophobicContact CG1-CD1 3.83Å; V688-L708 HydrophobicContact CG2-CD1 4.2Å; N691-L708 WeakPolarHBondContact O-CB 3.33Å; N691-L708 PolarHBondContact O-N 3.24Å; L693-L708 HydrophobicContact CB-CD1 4.02Å; L693-L708 HydrophobicContact CB-CD2 3.74Å; L693-L708 HydrophobicContact CB-CG 3.71Å; L693-L708 HydrophobicContact CD2-CD2 4.08Å; L693-L708 HydrophobicContact CG-CD2 4.45Å; H706-L708 PolarHBondContact O-N 3.1Å; L708-G710 PolarHBondContact O-N 2.92Å; L708-L711 PolarHBondContact O-N 3.06Å; L708-F712 HydrophobicContact CD2-CE2 4.29Å; L708-F712 WeakPolarHBondContact O-CD2 3.41Å; L708-F712 PolarHBondContact O-N 3.16Å
709S87.6Confident83.7Confident42 Ų4251.1 Ų51.129%0.29427%0.266SS..Hα-helixtrans-53.8-40.6174.8-46.80000111.8E713S709-E713 WeakPolarHBondContact O-CB 3.48Å; S709-E713 PolarHBondContact O-N 3.08Å
710G87.4Confident81.6Confident17 Ų1748 Ų4818%0.17525%0.252CS..Hα-helixtrans-67.1-38.1174.800000114.2S707 L708 Q714S707-G710 PolarHBondContact O-N 2.95Å; S707-G710 PolarHBondContact OG-N 2.94Å; L708-G710 PolarHBondContact O-N 2.92Å; G710-Q714 WeakPolarHBondContact O-CB 3.49Å; G710-Q714 PolarHBondContact O-N 2.83Å
711L88Confident79.3Confident2 Ų250.4 Ų50.41%0.0126%0.257CS..Hα-helixtrans-68.1-43176.5-84.9-176.9000111.4L678 H706 S707 L708 Q714 A715 V741L678-L711 HydrophobicContact CB-CD1 4.34Å; H706-L711 HydrophobicContact CB-CD1 3.57Å; H706-L711 HydrophobicContact CB-CG 4.14Å; S707-L711 WeakPolarHBondContact O-CB 3.46Å; S707-L711 WeakPolarHBondContact O-CG 3.46Å; S707-L711 PolarHBondContact O-N 2.6Å; L708-L711 PolarHBondContact O-N 3.06Å; L711-Q714 PolarHBondContact O-N 3.11Å; L711-A715 VanDerWaalsContact O-CB 3.32Å; L711-A715 WeakPolarHBondContact O-CB 3.26Å; L711-A715 PolarHBondContact O-N 2.75Å; L711-V741 HydrophobicContact CB-CG1 4.25Å; L711-V741 HydrophobicContact CD2-CG1 3.73Å; L711-V741 HydrophobicContact CG-CG1 3.76Å; L711-V741 VanDerWaalsContact N-CG1 3.29Å
712F86.3Confident76.5Confident24 Ų2453.3 Ų53.311%0.10528%0.275CS..Hα-helixtrans-65.6-42.8177.2-86.3-101000111.5W644 Y653 T664 L678 L708 A715 R716W644-F712 HydrophobicContact CE3-CD2 4.4Å; W644-F712 AromaticContact CE3-CE2 3.8Å; W644-F712 HydrophobicContact CE3-CE2 3.8Å; W644-F712 HydrophobicContact CE3-CZ 4.1Å; W644-F712 HydrophobicContact CH2-CD2 4.4Å; W644-F712 AromaticContact CZ3-CD2 3.72Å; W644-F712 HydrophobicContact CZ3-CD2 3.72Å; W644-F712 HydrophobicContact CZ3-CE1 4.45Å; W644-F712 AromaticContact CZ3-CE2 3.55Å; W644-F712 HydrophobicContact CZ3-CE2 3.55Å; W644-F712 HydrophobicContact CZ3-CG 4.24Å; W644-F712 AromaticContact CZ3-CZ 3.94Å; W644-F712 HydrophobicContact CZ3-CZ 3.94Å; Y653-F712 AromaticContact CD1-CE1 3.71Å; Y653-F712 HydrophobicContact CD1-CE1 3.71Å; Y653-F712 AromaticContact CD1-CZ 3.83Å; Y653-F712 HydrophobicContact CD1-CZ 3.83Å; Y653-F712 HydrophobicContact CD2-CE1 4.29Å; Y653-F712 HydrophobicContact CD2-CZ 4.22Å; Y653-F712 AromaticContact CE1-CE1 3.55Å; Y653-F712 HydrophobicContact CE1-CE1 3.55Å; Y653-F712 HydrophobicContact CE1-CZ 4.16Å; Y653-F712 HydrophobicContact CE2-CE1 4.14Å; Y653-F712 HydrophobicContact CE2-CZ 4.5Å; Y653-F712 HydrophobicContact CG-CE1 4.09Å; Y653-F712 AromaticContact CG-CZ 3.87Å; Y653-F712 HydrophobicContact CG-CZ 3.87Å; Y653-F712 AromaticContact CZ-CE1 3.78Å; T664-F712 HydrophobicContact CG2-CE1 4.03Å; T664-F712 HydrophobicContact CG2-CZ 3.87Å; L678-F712 HydrophobicContact CD1-CD2 4.11Å; L678-F712 HydrophobicContact CD1-CE2 3.56Å; L678-F712 HydrophobicContact CD1-CZ 4.03Å; L678-F712 HydrophobicContact CD2-CD2 4.2Å; L678-F712 HydrophobicContact CD2-CE2 4.27Å; L678-F712 HydrophobicContact CD2-CG 4.4Å; L708-F712 HydrophobicContact CD2-CE2 4.29Å; L708-F712 WeakPolarHBondContact O-CD2 3.41Å; L708-F712 PolarHBondContact O-N 3.16Å; F712-A715 PolarHBondContact O-N 2.69Å; F712-R716 VanDerWaalsContact O-CB 3.31Å; F712-R716 WeakPolarHBondContact O-CB 3.35Å; F712-R716 PolarHBondContact O-N 3.48Å
713E82.1Confident73.6Confident64 Ų6457.6 Ų57.630%0.29930%0.303SS..Hα-helixtrans-68.1-38.1174.6-176.654.1-148.200111.8S709 R716 Q717S709-E713 WeakPolarHBondContact O-CB 3.48Å; S709-E713 PolarHBondContact O-N 3.08Å; E713-R716 PolarHBondContact O-N 3Å; E713-R716 WeakPolarHBondContact OE2-CD 3.41Å; E713-R716 IonicContact OE2-CZ 2.7Å; E713-R716 IonicContact OE2-NE 3.39Å; E713-R716 IonicContact OE2-NH1 2.84Å; E713-R716 PolarHBondContact OE2-NH1 3.39Å; E713-Q717 WeakPolarHBondContact O-CB 3.41Å; E713-Q717 VanDerWaalsContact O-CG 3.26Å; E713-Q717 WeakPolarHBondContact O-CG 3.45Å; E713-Q717 PolarHBondContact O-N 2.94Å; E713-Q717 PolarHBondContact OE1-NE2 3.18Å
714Q79.6Confident70.5Confident75 Ų7561.3 Ų61.335%0.3533%0.333SS..Hα-helixtrans-64.4-40.8173.5-176174.812.500112.2G710 L711 Q717 L718G710-Q714 WeakPolarHBondContact O-CB 3.49Å; G710-Q714 PolarHBondContact O-N 2.83Å; L711-Q714 PolarHBondContact O-N 3.11Å; Q714-Q717 PolarHBondContact O-N 2.96Å; Q714-L718 HydrophobicContact CG-CD1 4.11Å; Q714-L718 WeakPolarHBondContact O-CB 3.3Å; Q714-L718 VanDerWaalsContact O-CG 3.32Å; Q714-L718 WeakPolarHBondContact O-CG 3.43Å; Q714-L718 PolarHBondContact O-N 3.37Å
715A74.8Confident67.7Low13 Ų1366 Ų6611%0.10736%0.358CS..Hα-helixtrans-62.4-46.1174.400000110.8L678 L711 F712 Q717 L718 Q719L678-A715 HydrophobicContact CD2-CB 4.05Å; L711-A715 VanDerWaalsContact O-CB 3.32Å; L711-A715 WeakPolarHBondContact O-CB 3.26Å; L711-A715 PolarHBondContact O-N 2.75Å; F712-A715 PolarHBondContact O-N 2.69Å; A715-Q717 VanDerWaalsContact C-N 3.29Å; A715-Q717 PolarHBondContact O-N 3.13Å; A715-L718 PolarHBondContact O-N 3.09Å; A715-Q719 VanDerWaalsContact O-CG 3.29Å; A715-Q719 WeakPolarHBondContact O-CG 3.42Å; A715-Q719 PolarHBondContact O-N 2.88Å
716R71.3Confident64.7Low114 Ų11468 Ų6843%0.4337%0.37SS..Hα-helixtrans-60.5-33.9174.2-169.9-170.5-64.8165.7-10.6113.1F712 E713 K720F712-R716 VanDerWaalsContact O-CB 3.31Å; F712-R716 WeakPolarHBondContact O-CB 3.35Å; F712-R716 PolarHBondContact O-N 3.48Å; E713-R716 PolarHBondContact O-N 3Å; E713-R716 WeakPolarHBondContact OE2-CD 3.41Å; E713-R716 IonicContact OE2-CZ 2.7Å; E713-R716 IonicContact OE2-NE 3.39Å; E713-R716 IonicContact OE2-NH1 2.84Å; E713-R716 PolarHBondContact OE2-NH1 3.39Å; R716-K720 WeakPolarHBondContact O-CG 3.29Å; R716-K720 PolarHBondContact O-N 3.5Å
717Q65.7Low62.1Low98 Ų9871.7 Ų71.746%0.45839%0.393SS..Hα-helixtrans-76.5-36.8174.7-73.2174.315.900112.6E713 Q714 A715 Q719 K720 L721E713-Q717 WeakPolarHBondContact O-CB 3.41Å; E713-Q717 VanDerWaalsContact O-CG 3.26Å; E713-Q717 WeakPolarHBondContact O-CG 3.45Å; E713-Q717 PolarHBondContact O-N 2.94Å; E713-Q717 PolarHBondContact OE1-NE2 3.18Å; Q714-Q717 PolarHBondContact O-N 2.96Å; A715-Q717 VanDerWaalsContact C-N 3.29Å; A715-Q717 PolarHBondContact O-N 3.13Å; Q717-Q719 VanDerWaalsContact C-N 3.32Å; Q717-K720 CarbonylContact O-C 3.52Å; Q717-K720 WeakPolarHBondContact O-CA 3.33Å; Q717-K720 WeakPolarHBondContact O-CB 3.45Å; Q717-K720 PolarHBondContact O-N 2.76Å; Q717-L721 PolarHBondContact O-N 3.17Å
718L58Low59.8Low89 Ų8975.7 Ų75.747%0.46641%0.406SS..Hα-helixtrans-65.3-35.9172-74166.1000111.6Q714 A715 K720 L721Q714-L718 HydrophobicContact CG-CD1 4.11Å; Q714-L718 WeakPolarHBondContact O-CB 3.3Å; Q714-L718 VanDerWaalsContact O-CG 3.32Å; Q714-L718 WeakPolarHBondContact O-CG 3.43Å; Q714-L718 PolarHBondContact O-N 3.37Å; A715-L718 PolarHBondContact O-N 3.09Å; L718-K720 PolarHBondContact O-N 3.21Å; L718-L721 HydrophobicContact CD2-CD1 4.14Å; L718-L721 PolarHBondContact O-N 3.45Å; L718-L721 VanDerWaalsContact O-N 3.14Å
719Q51.9Low57Low112 Ų11283.9 Ų83.952%0.52344%0.441SS..THydrogen-bonded Turntrans-63.8-22.1170-71.8167-2.300113.2E676 A715 Q717E676-Q719 PolarHBondContact OE1-NE2 3.14Å; E676-Q719 PolarHBondContact OE2-NE2 3.35Å; A715-Q719 VanDerWaalsContact O-CG 3.29Å; A715-Q719 WeakPolarHBondContact O-CG 3.42Å; A715-Q719 PolarHBondContact O-N 2.88Å; Q717-Q719 VanDerWaalsContact C-N 3.32Å
720K45.6Very low54.6Low153 Ų15387 Ų8767%0.66545%0.454SS*.THydrogen-bonded Turntrans-92.3-3.7174.7-69170.9-178.2179.80113.7R716 Q717 L718R716-K720 WeakPolarHBondContact O-CG 3.29Å; R716-K720 PolarHBondContact O-N 3.5Å; Q717-K720 CarbonylContact O-C 3.52Å; Q717-K720 WeakPolarHBondContact O-CA 3.33Å; Q717-K720 WeakPolarHBondContact O-CB 3.45Å; Q717-K720 PolarHBondContact O-N 2.76Å; L718-K720 PolarHBondContact O-N 3.21Å
721L38.8Very low52Low104 Ų10490.2 Ų90.255%0.54547%0.472SS..SBendtrans-95.7128.8-177.1-82.7165.7000111.5Q717 L718 V723Q717-L721 PolarHBondContact O-N 3.17Å; L718-L721 HydrophobicContact CD2-CD1 4.14Å; L718-L721 PolarHBondContact O-N 3.45Å; L718-L721 VanDerWaalsContact O-N 3.14Å; L721-V723 PolarHBondContact O-N 2.94Å; L721-V723 VanDerWaalsContact O-N 3.08Å
722P35.5Very low49.7Very low99 Ų9996.4 Ų96.464%0.64351%0.505SS*.SBendtrans-71.2-6.2-170-21.133.5000116.9
723V34.2Very low47.4Very low110 Ų110104.3 Ų104.367%0.66754%0.539SS*.SBendtrans-147.3130.2-177.9-177.90000109.7L721 I725L721-V723 PolarHBondContact O-N 2.94Å; L721-V723 VanDerWaalsContact O-N 3.08Å; V723-I725 PolarHBondContact O-N 3.42Å
724A30.3Very low45.7Very low79 Ų79107.9 Ų107.965%0.65356%0.559SS**  trans-70.495.9172.500000111P726A724-P726 WeakPolarHBondContact O-CD 3.49Å
725I35.2Very low43.8Very low112 Ų112110 Ų11057%0.57457%0.571SS**  trans-70123169.3-58.8177.2000108.1V723 T727 L730V723-I725 PolarHBondContact O-N 3.42Å; I725-T727 PolarHBondContact O-N 3.16Å; I725-L730 HydrophobicContact CG2-CD1 3.99Å
726P32Very low42Very low66 Ų66113.2 Ų113.243%0.42959%0.591SS.*  trans-68.9100.1180-15.228.9000110.7A724 H728 K729A724-P726 WeakPolarHBondContact O-CD 3.49Å; P726-H728 VanDerWaalsContact CB-CE1 3.4Å; P726-H728 WeakPolarHBondContact CB-CE1 3.15Å; P726-H728 PolarHBondContact O-N 3.27Å; P726-K729 PolarHBondContact O-N 3.08Å
727T37.7Very low40.8Very low78 Ų78118.8 Ų118.848%0.47961%0.612SS.*THydrogen-bonded Turntrans-62.2-9.7-176.555.10000113.9I725 K729I725-T727 PolarHBondContact O-N 3.16Å; T727-K729 VanDerWaalsContact C-N 3.3Å; T727-K729 PolarHBondContact O-N 2.81Å
728H43.8Very low39.7Very low139 Ų139123.6 Ų123.664%0.64463%0.632SS**THydrogen-bonded Turntrans-78-3.8171.562.3-106000114.7P726P726-H728 VanDerWaalsContact CB-CE1 3.4Å; P726-H728 WeakPolarHBondContact CB-CE1 3.15Å; P726-H728 PolarHBondContact O-N 3.27Å
729K31.9Very low39.2Very low172 Ų172127 Ų12775%0.74864%0.643SS**SBendtrans-114.9-4.3176.8-62.2-168.6-179.4177.50115.5P726 T727P726-K729 PolarHBondContact O-N 3.08Å; T727-K729 VanDerWaalsContact C-N 3.3Å; T727-K729 PolarHBondContact O-N 2.81Å
730L36Very low39.9Very low108 Ų108123.3 Ų123.357%0.56563%0.631SS**SBendtrans-87.7134.6174.1-74.5169.4000110.6I725I725-L730 HydrophobicContact CG2-CD1 3.99Å
731P32.6Very low41.7Very low84 Ų84117.7 Ų117.755%0.54561%0.61SS.*  trans-71136.5177.713-10000111.8K733P731-K733 PolarHBondContact O-N 3.14Å
732D39.9Very low44.1Very low131 Ų131114.1 Ų114.170%0.70159%0.594SS**THydrogen-bonded Turntrans-56.416.1174.8-77.5-12.5000115.1K744D732-K744 IonicContact OD2-NZ 3.92Å; D732-K744 PolarHBondContact OD2-NZ 3.19Å
733K39.8Very low46.7Very low191 Ų191112.9 Ų112.983%0.8358%0.581SS**THydrogen-bonded Turntrans-110.9-6.4-168.8-73.4-173.5175.3179.30115.9P731P731-K733 PolarHBondContact O-N 3.14Å
734I44.5Very low49.5Very low139 Ų139111.6 Ų111.671%0.71357%0.567SS**SBendtrans-103.5-19.4-171.8-59.3177.2000113
735I40.9Very low52.3Low118 Ų118108.9 Ų108.961%0.60554%0.541SS*.SBendtrans-89.7127.8172.5-58.9173.5000109.1R737 F739I735-R737 PolarHBondContact O-N 2.76Å; I735-F739 HydrophobicContact CG2-CB 4.42Å
736P37Very low54.8Low82 Ų82107.9 Ų107.953%0.53254%0.542SS..  trans-61.2130.3173.2-18.630.1000110.3K738 F739P736-K738 PolarHBondContact O-N 3.2Å; P736-F739 HydrophobicContact CB-CD2 4.14Å; P736-F739 HydrophobicContact CG-CD2 4.33Å; P736-F739 PolarHBondContact O-N 3.08Å
737R46.6Very low57.5Low231 Ų231111.6 Ų111.687%0.87256%0.558SS**G310 helixtrans-52.8-20.3-173.7-69.8-178.4178.3168.2-2.4115.5I735 F739I735-R737 PolarHBondContact O-N 2.76Å; R737-F739 VanDerWaalsContact C-N 3.3Å; R737-F739 PolarHBondContact O-N 3.41Å
738K41.3Very low60.2Low199 Ų199107.9 Ų107.987%0.86554%0.535SS*.G310 helixtrans-73.4-14176.5-67-171.5175.7-173.70114.5P736P736-K738 PolarHBondContact O-N 3.2Å
739F48Very low62.6Low161 Ų161108.2 Ų108.271%0.70654%0.535SS*.G310 helixtrans-116.111.8-179.8-58.9-72.9000113.3I735 P736 R737 V741I735-F739 HydrophobicContact CG2-CB 4.42Å; P736-F739 HydrophobicContact CB-CD2 4.14Å; P736-F739 HydrophobicContact CG-CD2 4.33Å; P736-F739 PolarHBondContact O-N 3.08Å; R737-F739 VanDerWaalsContact C-N 3.3Å; R737-F739 PolarHBondContact O-N 3.41Å; F739-V741 PolarHBondContact O-N 3.28Å
740A66.2Low65.5Low33 Ų33101.8 Ų101.827%0.27352%0.518SS..  trans-75.3109.2177.200000110.3S742 N743A740-S742 PolarHBondContact O-N 3Å; A740-N743 WeakPolarHBondContact CB-OD1 3.35Å; A740-N743 PolarHBondContact O-ND2 3.13Å
741V83.4Confident68.3Low35 Ų3596.7 Ų96.721%0.21249%0.491CS..SBendtrans-58.8-32.5177.2173.20000112.5H706 S707 L711 F739H706-V741 WeakPolarHBondContact CA-O 3.12Å; S707-V741 PolarHBondContact N-O 3.01Å; L711-V741 HydrophobicContact CB-CG1 4.25Å; L711-V741 HydrophobicContact CD2-CG1 3.73Å; L711-V741 HydrophobicContact CG-CG1 3.76Å; L711-V741 VanDerWaalsContact N-CG1 3.29Å; F739-V741 PolarHBondContact O-N 3.28Å
742S90.2Very high71.2Confident30 Ų3096.8 Ų96.821%0.2148%0.484CS..EExtended strand (participates in β ladder)trans-125.4121.9179.3-62.40000110.5H706 A740H706-S742 WeakPolarHBondContact ND1-CB 3.28Å; H706-S742 PolarHBondContact ND1-OG 3.3Å; A740-S742 PolarHBondContact O-N 3Å
743N89.7Confident73.8Confident72 Ų7294.3 Ų94.339%0.38547%0.467SS..EExtended strand (participates in β ladder)trans-118.5130.7-176.4-69.2-69.8000111.3Y704 S705 A740Y704-N743 CarbonylContact C-O 3.54Å; Y704-N743 VanDerWaalsContact CA-O 3.28Å; Y704-N743 WeakPolarHBondContact CA-O 3.17Å; S705-N743 PolarHBondContact N-O 3.12Å; S705-N743 PolarHBondContact O-N 3.12Å; A740-N743 WeakPolarHBondContact CB-OD1 3.35Å; A740-N743 PolarHBondContact O-ND2 3.13Å
744K91.8Very high76.4Confident83 Ų8385.7 Ų85.736%0.36143%0.431SS..EExtended strand (participates in β ladder)trans-73.3128.7170.4-66.7162.3-167.81640108.7Y704 D732 P746Y704-K744 HydrophobicContact CD1-CG 3.91Å; Y704-K744 HydrophobicContact CE1-CB 4.46Å; Y704-K744 HydrophobicContact CE1-CD 4.23Å; Y704-K744 HydrophobicContact CE1-CG 3.31Å; Y704-K744 HydrophobicContact CE2-CG 4.35Å; Y704-K744 WeakPolarHBondContact OH-CE 3.49Å; D732-K744 IonicContact OD2-NZ 3.92Å; D732-K744 PolarHBondContact OD2-NZ 3.19Å; K744-P746 WeakPolarHBondContact O-CD 3.38Å
745I90.5Very high78.7Confident23 Ų2379.5 Ų79.512%0.11840%0.4CS..PPolyproline II helixtrans-73124.6169.5-54.7-170.5000107.4Q702 L703 T748 L778Q702-I745 PolarHBondContact NE2-O 3.25Å; L703-I745 HydrophobicContact CB-CB 4.11Å; L703-I745 HydrophobicContact CB-CD1 3.98Å; L703-I745 HydrophobicContact CB-CG1 4.15Å; L703-I745 PolarHBondContact O-N 3.04Å; I745-T748 HydrophobicContact CB-CG2 4.02Å; I745-T748 HydrophobicContact CG2-CG2 3.68Å; I745-T748 PolarHBondContact O-OG1 3.46Å; I745-L778 HydrophobicContact CG2-CD2 4.35Å
746P87.5Confident81.2Confident91 Ų9175.2 Ų75.259%0.59138%0.379SS*.THydrogen-bonded Turntrans-54.9149.4179.2-26.435.7000112.4K744 T748K744-P746 WeakPolarHBondContact O-CD 3.38Å; P746-T748 WeakPolarHBondContact O-CG2 3.29Å; P746-T748 PolarHBondContact O-N 3.2Å
747D88.1Confident83.8Confident143 Ų14372.6 Ų72.677%0.76536%0.362SS*.THydrogen-bonded Turntrans59.87.7170.2-47.4-43.6000117K749D747-K749 PolarHBondContact O-N 3.43Å
748T94.5Very high85.9Confident0 Ų064.4 Ų64.40%033%0.331CS..  trans-93.627.6177.960.10000114.6Q702 L703 I745 P746 F771 M776Q702-T748 WeakPolarHBondContact CA-O 3.38Å; Q702-T748 WeakPolarHBondContact CG-OG1 3.4Å; L703-T748 HydrophobicContact CB-CG2 4.21Å; L703-T748 HydrophobicContact CD1-CG2 3.92Å; L703-T748 PolarHBondContact N-OG1 3.22Å; I745-T748 HydrophobicContact CB-CG2 4.02Å; I745-T748 HydrophobicContact CG2-CG2 3.68Å; I745-T748 PolarHBondContact O-OG1 3.46Å; P746-T748 WeakPolarHBondContact O-CG2 3.29Å; P746-T748 PolarHBondContact O-N 3.2Å; T748-F771 HydrophobicContact CG2-CZ 4.19Å; T748-M776 HydrophobicContact CG2-CE 4.41Å; T748-M776 HydrophobicContact CG2-SD 4Å
749K94.1Very high88.3Confident146 Ų14655.1 Ų55.164%0.63529%0.29SS*.THydrogen-bonded Turntrans-75141.9176.2-69.7178.8-178.3173.40110.6Q702 D747 F771Q702-K749 HydrophobicContact CB-CG 4.4Å; Q702-K749 HydrophobicContact CG-CG 4.21Å; D747-K749 PolarHBondContact O-N 3.43Å; K749-F771 WeakPolarHBondContact O-CD1 3.39Å
750G93.3Very high90.1Very high38 Ų3851.1 Ų51.139%0.39228%0.281SS..THydrogen-bonded Turntrans77.421.8-177.600000113.8A700 S701 Q752A700-G750 PolarHBondContact O-N 3.3Å; S701-G750 PolarHBondContact O-N 2.85Å; G750-Q752 PolarHBondContact O-N 2.86Å
751C95.4Very high91.1Very high1 Ų153.5 Ų53.51%0.00728%0.283CS..  trans-66.5121.3174.4-164.40000109.7S701 C754 A770 F771S701-C751 VanDerWaalsContact CB-O 3.31Å; S701-C751 WeakPolarHBondContact CB-O 3.31Å; S701-C751 WeakPolarHBondContact O-CB 3.46Å; S701-C751 PolarHBondContact O-N 3.12Å; C751-C754 PolarHBondContact SG-SG 3.38Å; C751-A770 CarbonylContact C-O 3.57Å; C751-A770 WeakPolarHBondContact CA-O 3.24Å; C751-F771 VanDerWaalsContact CA-CE1 3.49Å; C751-F771 HydrophobicContact CB-CD1 4.27Å; C751-F771 HydrophobicContact CB-CE1 3.53Å; C751-F771 HydrophobicContact CB-CZ 3.9Å
752Q92.7Very high91.4Very high85 Ų8555.4 Ų55.440%0.39730%0.295SS..  trans-93.5-47.4-173-56.9-174.96.100112.3G750 A770G750-Q752 PolarHBondContact O-N 2.86Å; Q752-A770 PolarHBondContact N-O 2.95Å
753K93.4Very high91.2Very high80 Ų8055.1 Ų55.135%0.34830%0.297SS..EExtended strand (participates in β ladder)trans-139.6154.7177.9-74-171.2170.6178.10109.8A770 L801 E802 F804K753-A770 HydrophobicContact CB-CB 4.44Å; K753-A770 PolarHBondContact O-N 3.27Å; K753-L801 HydrophobicContact CB-CD2 4.21Å; K753-L801 HydrophobicContact CD-CD2 4.16Å; K753-L801 HydrophobicContact CD-CG 4.39Å; K753-L801 VanDerWaalsContact CE-O 3.26Å; K753-L801 WeakPolarHBondContact CE-O 3.15Å; K753-L801 HydrophobicContact CG-CD2 4.33Å; K753-L801 PolarHBondContact NZ-O 3.29Å; K753-E802 PolarHBondContact NZ-O 3.35Å; K753-F804 HydrophobicContact CB-CB 4.13Å; K753-F804 HydrophobicContact CB-CD1 3.91Å; K753-F804 HydrophobicContact CB-CG 4.16Å; K753-F804 HydrophobicContact CD-CB 4Å
754C94.6Very high91.3Very high10 Ų1056 Ų567%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-134150.6170.7-81.90000111.5W685 I696 C751 L767 C768W685-C754 HydrophobicContact CD2-CB 3.78Å; W685-C754 HydrophobicContact CE3-CB 3.99Å; W685-C754 HydrophobicContact CG-CB 4.43Å; W685-C754 HydrophobicContact CH2-CB 3.77Å; W685-C754 HydrophobicContact CZ2-CB 3.55Å; W685-C754 HydrophobicContact CZ3-CB 3.98Å; W685-C754 PolarHBondContact NE1-O 3.12Å; I696-C754 HydrophobicContact CD1-CB 4.12Å; C751-C754 PolarHBondContact SG-SG 3.38Å; C754-L767 HydrophobicContact CB-CD1 4.25Å; C754-C768 VanDerWaalsContact CA-O 3.24Å; C754-C768 WeakPolarHBondContact CA-O 3.49Å
755C93.4Very high91.4Very high9 Ų953.2 Ų53.26%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-138.5152.9169.958.70000109.9C768 F804 M806C755-C768 PolarHBondContact N-O 2.91Å; C755-C768 VanDerWaalsContact N-O 3.09Å; C755-C768 PolarHBondContact O-N 3.12Å; C755-F804 HydrophobicContact CB-CD1 4.36Å; C755-M806 VanDerWaalsContact O-CE 3.26Å; C755-M806 WeakPolarHBondContact O-CE 3.41Å
756V93.4Very high91.6Very high27 Ų2752.3 Ų52.316%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-130.2138.3178.1178.60000108.6W685 Y687 Y766 L767 F787W685-V756 HydrophobicContact CH2-CG2 3.98Å; W685-V756 HydrophobicContact CZ2-CG2 4.18Å; Y687-V756 HydrophobicContact CD1-CB 4.27Å; Y687-V756 HydrophobicContact CD1-CG1 4.32Å; Y687-V756 HydrophobicContact CD1-CG2 3.81Å; Y687-V756 HydrophobicContact CD2-CB 4.27Å; Y687-V756 HydrophobicContact CD2-CG2 4.31Å; Y687-V756 HydrophobicContact CE1-CB 3.95Å; Y687-V756 HydrophobicContact CE1-CG1 3.58Å; Y687-V756 HydrophobicContact CE1-CG2 3.93Å; Y687-V756 HydrophobicContact CE2-CB 3.97Å; Y687-V756 HydrophobicContact CE2-CG1 4.19Å; Y687-V756 HydrophobicContact CE2-CG2 4.44Å; Y687-V756 HydrophobicContact CG-CB 4.42Å; Y687-V756 HydrophobicContact CG-CG2 4.01Å; V756-Y766 CarbonylContact C-O 3.2Å; V756-Y766 VanDerWaalsContact CA-O 3.25Å; V756-Y766 WeakPolarHBondContact CA-O 3.4Å; V756-Y766 WeakPolarHBondContact CG1-O 3.36Å; V756-L767 HydrophobicContact CG2-CB 4.23Å; V756-L767 HydrophobicContact CG2-CD1 3.57Å; V756-F787 HydrophobicContact CG1-CZ 4.44Å
757V92.2Very high92Very high28 Ų2848 Ų4817%0.1725%0.253CS..EExtended strand (participates in β ladder)trans-139.9142.6177.278.50000110.7K765 Y766 M806 V808 P815V757-K765 WeakPolarHBondContact O-CA 3.42Å; V757-Y766 HydrophobicContact CG1-CD2 4.49Å; V757-Y766 PolarHBondContact N-O 3.21Å; V757-Y766 PolarHBondContact O-N 3.28Å; V757-M806 HydrophobicContact CB-CB 4.15Å; V757-M806 HydrophobicContact CB-CE 4.25Å; V757-M806 HydrophobicContact CG1-CB 3.75Å; V757-M806 HydrophobicContact CG1-CE 3.87Å; V757-M806 HydrophobicContact CG1-CG 4.49Å; V757-M806 HydrophobicContact CG1-SD 3.96Å; V757-V808 HydrophobicContact CG1-CG2 4.07Å; V757-V808 HydrophobicContact CG2-CG2 3.67Å; V757-P815 HydrophobicContact CG1-CB 4.28Å; V757-P815 HydrophobicContact CG1-CG 3.73Å
758R90.6Very high92.4Very high59 Ų5941.1 Ų41.122%0.22322%0.217CC..EExtended strand (participates in β ladder)trans-95.8128.9164-180176.1-176.8-1109.8108.2P760 G763 H764 K765 A947R758-P760 WeakPolarHBondContact O-CD 3.48Å; R758-G763 PolarHBondContact NE-O 3.49Å; R758-H764 CarbonylContact C-O 3.6Å; R758-H764 WeakPolarHBondContact CA-O 3.47Å; R758-K765 HydrophobicContact CB-CG 4.33Å; R758-K765 HydrophobicContact CG-CG 4.23Å; R758-A947 HydrophobicContact CB-CB 3.92Å; R758-A947 WeakPolarHBondContact CB-O 3.47Å; R758-A947 WeakPolarHBondContact CD-O 3.3Å
759N90.3Very high92.5Very high3 Ų341.1 Ų41.12%0.01622%0.217CC..  trans-72.1114.3167.1-178.5-21.5000108.2Y761 T762 G763 H764 Y766 V808N759-Y761 PolarHBondContact O-N 3.07Å; N759-Y761 WeakPolarHBondContact OD1-CB 3.32Å; N759-Y761 WeakPolarHBondContact OD1-CD2 3.37Å; N759-Y761 PolarHBondContact OD1-N 3.34Å; N759-T762 WeakPolarHBondContact CB-OG1 3.49Å; N759-T762 PolarHBondContact ND2-OG1 3.11Å; N759-T762 PolarHBondContact OD1-N 3.41Å; N759-G763 VanDerWaalsContact O-CA 3.24Å; N759-G763 WeakPolarHBondContact O-CA 3.45Å; N759-G763 PolarHBondContact O-N 3.2Å; N759-H764 PolarHBondContact N-O 3.31Å; N759-Y766 HydrophobicContact CB-CE2 4.15Å; N759-V808 HydrophobicContact CB-CG1 4.06Å
760P87.1Confident92.6Very high78 Ų7834.2 Ų34.251%0.50619%0.186SC..THydrogen-bonded Turntrans-73.8-9.3-176.431.9-35.7000113.3R758R758-P760 WeakPolarHBondContact O-CD 3.48Å
761Y87.3Confident92.6Very high82 Ų8233 Ų3332%0.32217%0.171SC..THydrogen-bonded Turntrans-94.1-34.6-179.3-43.8-59.8000112.8N759 V808 P810 R863N759-Y761 PolarHBondContact O-N 3.07Å; N759-Y761 WeakPolarHBondContact OD1-CB 3.32Å; N759-Y761 WeakPolarHBondContact OD1-CD2 3.37Å; N759-Y761 PolarHBondContact OD1-N 3.34Å; Y761-V808 HydrophobicContact CD2-CG1 4.21Å; Y761-V808 HydrophobicContact CE2-CG1 4.02Å; Y761-P810 HydrophobicContact CD2-CB 4.05Å; Y761-P810 HydrophobicContact CD2-CG 4.35Å; Y761-P810 HydrophobicContact CE2-CB 3.85Å; Y761-P810 HydrophobicContact CE2-CG 3.65Å; Y761-R863 VanDerWaalsContact OH-CA 3.26Å; Y761-R863 WeakPolarHBondContact OH-CA 3.3Å; Y761-R863 WeakPolarHBondContact OH-CB 3.38Å; Y761-R863 VanDerWaalsContact OH-CG 3.3Å; Y761-R863 WeakPolarHBondContact OH-CG 3.49Å; Y761-R863 PolarHBondContact OH-NE 3.27Å
762T88.9Confident92.3Very high76 Ų7640.6 Ų40.647%0.46621%0.206SC..THydrogen-bonded Turntrans-104.9-17.517866.20000113.1N759 H764N759-T762 WeakPolarHBondContact CB-OG1 3.49Å; N759-T762 PolarHBondContact ND2-OG1 3.11Å; N759-T762 PolarHBondContact OD1-N 3.41Å; T762-H764 PolarHBondContact O-CD2 2.9Å; T762-H764 VanDerWaalsContact O-CD2 3.27Å; T762-H764 PolarHBondContact O-N 3.08Å; T762-H764 WeakPolarHBondContact OG1-CB 3.26Å; T762-H764 PolarHBondContact OG1-CD2 2.95Å; T762-H764 PolarHBondContact OG1-N 2.76Å
763G87.3Confident92.1Very high23 Ų2340.2 Ų40.224%0.23721%0.213CC..  trans79.6-10.1-171.900000114.6R758 N759R758-G763 PolarHBondContact NE-O 3.49Å; N759-G763 VanDerWaalsContact O-CA 3.24Å; N759-G763 WeakPolarHBondContact O-CA 3.45Å; N759-G763 PolarHBondContact O-N 3.2Å
764H90.7Very high92Very high90 Ų9037 Ų3742%0.41720%0.2SC..  trans-64.4143-176.6-65.5-152.4000111.2R758 N759 T762 Y766 E779R758-H764 CarbonylContact C-O 3.6Å; R758-H764 WeakPolarHBondContact CA-O 3.47Å; N759-H764 PolarHBondContact N-O 3.31Å; T762-H764 PolarHBondContact O-CD2 2.9Å; T762-H764 VanDerWaalsContact O-CD2 3.27Å; T762-H764 PolarHBondContact O-N 3.08Å; T762-H764 WeakPolarHBondContact OG1-CB 3.26Å; T762-H764 PolarHBondContact OG1-CD2 2.95Å; T762-H764 PolarHBondContact OG1-N 2.76Å; H764-Y766 HydrophobicContact CB-CE2 3.79Å; H764-Y766 WeakPolarHBondContact CB-OH 3.45Å; H764-Y766 PolarHBondContact ND1-OH 2.98Å; H764-E779 IonicContact CE1-OE1 2.78Å; H764-E779 IonicContact CG-OE1 3.73Å; H764-E779 IonicContact ND1-OE1 2.91Å; H764-E779 PolarHBondContact ND1-OE1 3.49Å
765K93.9Very high92Very high25 Ų2536.6 Ų36.611%0.10920%0.197CC..EExtended strand (participates in β ladder)trans-113.6127.8-178.8-47.2-180-165.8177.90109.6M689 V757 R758 W780 D948M689-K765 HydrophobicContact CE-CD 4.27Å; M689-K765 HydrophobicContact SD-CB 4.42Å; M689-K765 HydrophobicContact SD-CD 3.43Å; M689-K765 WeakPolarHBondContact SD-CD 3.4Å; V757-K765 WeakPolarHBondContact O-CA 3.42Å; R758-K765 HydrophobicContact CB-CG 4.33Å; R758-K765 HydrophobicContact CG-CG 4.23Å; K765-W780 HydrophobicContact CB-CB 3.92Å; K765-W780 PolarHBondContact O-N 2.71Å; K765-D948 WeakPolarHBondContact CE-OD1 3.45Å; K765-D948 IonicContact NZ-OD1 3.21Å; K765-D948 PolarHBondContact NZ-OD1 3.19Å
766Y95.6Very high92.1Very high4 Ų436.8 Ų36.82%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-116.6139.3-177.6-59-76.5000111.1V756 V757 N759 H764 L777 L778 E779 M806 M813 Y814 P815V756-Y766 CarbonylContact C-O 3.2Å; V756-Y766 VanDerWaalsContact CA-O 3.25Å; V756-Y766 WeakPolarHBondContact CA-O 3.4Å; V756-Y766 WeakPolarHBondContact CG1-O 3.36Å; V757-Y766 HydrophobicContact CG1-CD2 4.49Å; V757-Y766 PolarHBondContact N-O 3.21Å; V757-Y766 PolarHBondContact O-N 3.28Å; N759-Y766 HydrophobicContact CB-CE2 4.15Å; H764-Y766 HydrophobicContact CB-CE2 3.79Å; H764-Y766 WeakPolarHBondContact CB-OH 3.45Å; H764-Y766 PolarHBondContact ND1-OH 2.98Å; Y766-L777 HydrophobicContact CD1-CD1 4.37Å; Y766-L777 HydrophobicContact CG-CD1 4.48Å; Y766-L778 CarbonylContact C-O 3.58Å; Y766-L778 VanDerWaalsContact CA-O 3.27Å; Y766-L778 WeakPolarHBondContact CA-O 3.41Å; Y766-E779 HydrophobicContact CD1-CB 3.97Å; Y766-E779 HydrophobicContact CD1-CG 4.23Å; Y766-E779 HydrophobicContact CE1-CB 3.93Å; Y766-E779 HydrophobicContact CE1-CG 3.85Å; Y766-E779 WeakPolarHBondContact CE1-OE1 3.44Å; Y766-E779 PolarHBondContact OH-OE1 2.74Å; Y766-M806 WeakPolarHBondContact O-CE 3.39Å; Y766-M813 PolarHBondContact OH-O 3.28Å; Y766-Y814 AromaticContact CE1-CD1 3.99Å; Y766-Y814 HydrophobicContact CE1-CD1 3.99Å; Y766-Y814 HydrophobicContact CE1-CE1 4.38Å; Y766-P815 HydrophobicContact CD2-CG 3.62Å; Y766-P815 HydrophobicContact CE2-CG 4.17Å; Y766-P815 HydrophobicContact CG-CG 4.15Å
767L96.1Very high92.2Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans-112.2129.9168.9165.969.4000107.4W685 L694 C754 V756 L778 F787W685-L767 HydrophobicContact CH2-CD1 3.91Å; L694-L767 HydrophobicContact CD1-CD1 4.2Å; L694-L767 HydrophobicContact CD1-CD2 3.83Å; C754-L767 HydrophobicContact CB-CD1 4.25Å; V756-L767 HydrophobicContact CG2-CB 4.23Å; V756-L767 HydrophobicContact CG2-CD1 3.57Å; L767-L778 HydrophobicContact CB-CB 4.39Å; L767-L778 HydrophobicContact CD2-CD1 4.28Å; L767-L778 HydrophobicContact CG-CD1 4.31Å; L767-L778 PolarHBondContact N-O 2.77Å; L767-L778 PolarHBondContact O-N 3.03Å; L767-F787 HydrophobicContact CB-CD1 3.48Å; L767-F787 VanDerWaalsContact CB-CD1 3.48Å; L767-F787 HydrophobicContact CB-CD2 4.29Å; L767-F787 HydrophobicContact CB-CE1 3.49Å; L767-F787 VanDerWaalsContact CB-CE1 3.49Å; L767-F787 HydrophobicContact CB-CE2 4.3Å; L767-F787 HydrophobicContact CB-CG 3.9Å; L767-F787 HydrophobicContact CB-CZ 3.92Å; L767-F787 HydrophobicContact CD2-CB 4.17Å; L767-F787 HydrophobicContact CD2-CD1 4.38Å; L767-F787 HydrophobicContact CD2-CD2 4.06Å; L767-F787 HydrophobicContact CD2-CG 3.94Å
768C96.6Very high92.4Very high0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-118.4136.1170.9-164.30000110.7C754 C755 M776 L777 F804 M806C754-C768 VanDerWaalsContact CA-O 3.24Å; C754-C768 WeakPolarHBondContact CA-O 3.49Å; C755-C768 PolarHBondContact N-O 2.91Å; C755-C768 VanDerWaalsContact N-O 3.09Å; C755-C768 PolarHBondContact O-N 3.12Å; C768-M776 VanDerWaalsContact CA-O 3.31Å; C768-M776 WeakPolarHBondContact CA-O 3.36Å; C768-M776 PolarHBondContact SG-O 3.4Å; C768-M776 VanDerWaalsContact SG-O 3.35Å; C768-L777 HydrophobicContact CB-CD1 4.32Å; C768-F804 HydrophobicContact CB-CE1 4.33Å; C768-F804 HydrophobicContact CB-CZ 4.21Å; C768-M806 HydrophobicContact CB-CE 3.77Å; C768-M806 HydrophobicContact CB-CG 4.24Å; C768-M806 HydrophobicContact CB-SD 3.72Å
769G96.4Very high92.6Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-118.1135.5174.200000111.4F771 V775 M776G769-F771 WeakPolarHBondContact O-CD2 3.45Å; G769-F771 WeakPolarHBondContact O-CE2 3.4Å; G769-V775 VanDerWaalsContact O-CA 3.32Å; G769-V775 WeakPolarHBondContact O-CA 3.31Å; G769-M776 PolarHBondContact N-O 2.81Å; G769-M776 PolarHBondContact O-N 2.84Å
770A95.4Very high92.8Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-99.8132.3-178.600000111.7C751 Q752 K753 L797 L801 F804C751-A770 CarbonylContact C-O 3.57Å; C751-A770 WeakPolarHBondContact CA-O 3.24Å; Q752-A770 PolarHBondContact N-O 2.95Å; K753-A770 HydrophobicContact CB-CB 4.44Å; K753-A770 PolarHBondContact O-N 3.27Å; A770-L797 HydrophobicContact CB-CD1 3.43Å; A770-L797 VanDerWaalsContact CB-CD1 3.43Å; A770-L801 HydrophobicContact CB-CD2 3.58Å; A770-F804 HydrophobicContact CB-CD1 4.18Å; A770-F804 HydrophobicContact CB-CD2 3.75Å; A770-F804 HydrophobicContact CB-CE1 3.84Å; A770-F804 HydrophobicContact CB-CE2 3.39Å; A770-F804 HydrophobicContact CB-CG 4.13Å; A770-F804 HydrophobicContact CB-CZ 3.42Å; A770-F804 VanDerWaalsContact CB-CZ 3.42Å
771F93.6Very high93Very high13 Ų1332.4 Ų32.46%0.05717%0.171CC..EExtended strand (participates in β ladder)trans-129159-179.8-56.4-88.5000110.2T748 K749 C751 G769 S773 S774 M776 L797T748-F771 HydrophobicContact CG2-CZ 4.19Å; K749-F771 WeakPolarHBondContact O-CD1 3.39Å; C751-F771 VanDerWaalsContact CA-CE1 3.49Å; C751-F771 HydrophobicContact CB-CD1 4.27Å; C751-F771 HydrophobicContact CB-CE1 3.53Å; C751-F771 HydrophobicContact CB-CZ 3.9Å; G769-F771 WeakPolarHBondContact O-CD2 3.45Å; G769-F771 WeakPolarHBondContact O-CE2 3.4Å; F771-S773 PolarHBondContact O-N 2.91Å; F771-S774 CarbonylContact C-O 3.55Å; F771-S774 WeakPolarHBondContact CA-O 3.43Å; F771-S774 WeakPolarHBondContact CB-O 3.25Å; F771-S774 PolarHBondContact N-O 3.4Å; F771-S774 PolarHBondContact O-N 3.11Å; F771-S774 VanDerWaalsContact O-O 3.04Å; F771-M776 HydrophobicContact CD2-CG 4.1Å; F771-M776 HydrophobicContact CD2-SD 4.39Å; F771-M776 HydrophobicContact CE2-CB 3.9Å; F771-M776 HydrophobicContact CE2-CG 3.55Å; F771-M776 HydrophobicContact CE2-SD 3.59Å; F771-M776 VanDerWaalsContact CE2-SD 3.59Å; F771-M776 HydrophobicContact CZ-CG 4.33Å; F771-M776 HydrophobicContact CZ-SD 3.75Å; F771-L797 WeakPolarHBondContact O-CD1 3.41Å; F771-L797 WeakPolarHBondContact O-CG 3.31Å
772Q88.6Confident92.8Very high160 Ų16033.4 Ų33.475%0.74818%0.179SC*.THydrogen-bonded Turntrans-51.5-31.6-174.4-173.31752.100114.3L797Q772-L797 PolarHBondContact O-N 2.82Å
773S88.6Confident92.7Very high77 Ų7735.3 Ų35.354%0.53820%0.195SC..THydrogen-bonded Turntrans-133.117.6-179.364.40000114.1F771 D794 F795F771-S773 PolarHBondContact O-N 2.91Å; S773-D794 CarbonylContact O-C 3.52Å; S773-D794 WeakPolarHBondContact O-CA 3.18Å; S773-F795 CarbonylContact C-O 3.48Å; S773-F795 VanDerWaalsContact CA-O 3.28Å; S773-F795 WeakPolarHBondContact CA-O 3.44Å; S773-F795 CarbonylContact O-C 3.58Å; S773-F795 PolarHBondContact O-N 3.49Å; S773-F795 VanDerWaalsContact O-O 3.06Å
774S92.3Very high92.4Very high13 Ų1339.1 Ų39.19%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-162.1169.3176.673.80000113.8F771 N792 I793 D794 F795F771-S774 CarbonylContact C-O 3.55Å; F771-S774 WeakPolarHBondContact CA-O 3.43Å; F771-S774 WeakPolarHBondContact CB-O 3.25Å; F771-S774 PolarHBondContact N-O 3.4Å; F771-S774 PolarHBondContact O-N 3.11Å; F771-S774 VanDerWaalsContact O-O 3.04Å; S774-N792 WeakPolarHBondContact CB-OD1 3.38Å; S774-N792 PolarHBondContact OG-OD1 3.43Å; S774-I793 CarbonylContact C-O 3.58Å; S774-I793 WeakPolarHBondContact CA-O 3.46Å; S774-I793 WeakPolarHBondContact CB-O 3.27Å; S774-D794 WeakPolarHBondContact CB-OD1 3.29Å; S774-F795 PolarHBondContact N-O 3.31Å
775V94.3Very high92.1Very high1 Ų138.9 Ų38.91%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-126.5138.9160.3-57.80000110.2G769 N792 I793 F795 L797 F804 I817G769-V775 VanDerWaalsContact O-CA 3.32Å; G769-V775 WeakPolarHBondContact O-CA 3.31Å; V775-N792 PolarHBondContact O-OD1 3.18Å; V775-I793 HydrophobicContact CG2-CB 4.09Å; V775-I793 HydrophobicContact CG2-CD1 4.34Å; V775-I793 HydrophobicContact CG2-CG1 4.46Å; V775-I793 PolarHBondContact N-O 2.92Å; V775-I793 PolarHBondContact O-N 3.31Å; V775-F795 HydrophobicContact CB-CE1 4.22Å; V775-F795 HydrophobicContact CG1-CE1 3.67Å; V775-F795 HydrophobicContact CG1-CZ 3.74Å; V775-F795 HydrophobicContact CG2-CE1 3.77Å; V775-F795 HydrophobicContact CG2-CZ 4.46Å; V775-L797 HydrophobicContact CG1-CD1 4.38Å; V775-L797 HydrophobicContact CG1-CD2 4.03Å; V775-F804 HydrophobicContact CG1-CE2 3.95Å; V775-F804 HydrophobicContact CG1-CZ 4.33Å; V775-I817 HydrophobicContact CB-CD1 4.45Å; V775-I817 HydrophobicContact CG2-CD1 3.57Å
776M95.3Very high91.8Very high14 Ų1441.7 Ų41.77%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-104.6124.5172.9-62.31768200109T748 C768 G769 F771 L778 L789 N792T748-M776 HydrophobicContact CG2-CE 4.41Å; T748-M776 HydrophobicContact CG2-SD 4Å; C768-M776 VanDerWaalsContact CA-O 3.31Å; C768-M776 WeakPolarHBondContact CA-O 3.36Å; C768-M776 PolarHBondContact SG-O 3.4Å; C768-M776 VanDerWaalsContact SG-O 3.35Å; G769-M776 PolarHBondContact N-O 2.81Å; G769-M776 PolarHBondContact O-N 2.84Å; F771-M776 HydrophobicContact CD2-CG 4.1Å; F771-M776 HydrophobicContact CD2-SD 4.39Å; F771-M776 HydrophobicContact CE2-CB 3.9Å; F771-M776 HydrophobicContact CE2-CG 3.55Å; F771-M776 HydrophobicContact CE2-SD 3.59Å; F771-M776 VanDerWaalsContact CE2-SD 3.59Å; F771-M776 HydrophobicContact CZ-CG 4.33Å; F771-M776 HydrophobicContact CZ-SD 3.75Å; M776-L778 HydrophobicContact CB-CD1 4.13Å; M776-L789 HydrophobicContact CB-CD1 4.06Å; M776-L789 HydrophobicContact CE-CD1 3.77Å; M776-L789 HydrophobicContact CE-CD2 3.76Å; M776-L789 HydrophobicContact CE-CG 4.36Å; M776-L789 HydrophobicContact CG-CD1 4.44Å; M776-N792 HydrophobicContact CG-CB 4.42Å; M776-N792 WeakPolarHBondContact CG-OD1 3.4Å
777L96.1Very high91.5Very high0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-101.5123.3171.5-177.567.3000109.1Y766 C768 I790 K791 M806 Y814 P838Y766-L777 HydrophobicContact CD1-CD1 4.37Å; Y766-L777 HydrophobicContact CG-CD1 4.48Å; C768-L777 HydrophobicContact CB-CD1 4.32Å; L777-I790 PolarHBondContact O-N 3.47Å; L777-K791 PolarHBondContact N-O 3.16Å; L777-K791 PolarHBondContact O-N 2.84Å; L777-M806 HydrophobicContact CD1-SD 3.89Å; L777-Y814 HydrophobicContact CD2-CD1 3.97Å; L777-Y814 HydrophobicContact CD2-CG 4Å; L777-P838 HydrophobicContact CD2-CB 3.97Å; L777-P838 HydrophobicContact CD2-CG 4.06Å
778L95.7Very high91.4Very high4 Ų446 Ų462%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-121150178-53.591.6000110.3I745 Y766 L767 M776 F787 M788 L789I745-L778 HydrophobicContact CG2-CD2 4.35Å; Y766-L778 CarbonylContact C-O 3.58Å; Y766-L778 VanDerWaalsContact CA-O 3.27Å; Y766-L778 WeakPolarHBondContact CA-O 3.41Å; L767-L778 HydrophobicContact CB-CB 4.39Å; L767-L778 HydrophobicContact CD2-CD1 4.28Å; L767-L778 HydrophobicContact CG-CD1 4.31Å; L767-L778 PolarHBondContact N-O 2.77Å; L767-L778 PolarHBondContact O-N 3.03Å; M776-L778 HydrophobicContact CB-CD1 4.13Å; L778-F787 HydrophobicContact CB-CB 3.93Å; L778-F787 HydrophobicContact CB-CD1 4.23Å; L778-F787 HydrophobicContact CD2-CB 4.2Å; L778-M788 CarbonylContact C-O 3.52Å; L778-M788 WeakPolarHBondContact CA-O 3.32Å; L778-M788 WeakPolarHBondContact CB-O 3.22Å; L778-L789 HydrophobicContact CG-CD1 4.37Å
779E95Very high91.3Very high35 Ų3550.2 Ų50.216%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-119.9141.8179.4178.1167.2-137.600110.6H764 Y766 F787 M788 I790H764-E779 IonicContact CE1-OE1 2.78Å; H764-E779 IonicContact CG-OE1 3.73Å; H764-E779 IonicContact ND1-OE1 2.91Å; H764-E779 PolarHBondContact ND1-OE1 3.49Å; Y766-E779 HydrophobicContact CD1-CB 3.97Å; Y766-E779 HydrophobicContact CD1-CG 4.23Å; Y766-E779 HydrophobicContact CE1-CB 3.93Å; Y766-E779 HydrophobicContact CE1-CG 3.85Å; Y766-E779 WeakPolarHBondContact CE1-OE1 3.44Å; Y766-E779 PolarHBondContact OH-OE1 2.74Å; E779-F787 CarbonylContact O-C 3.58Å; E779-F787 WeakPolarHBondContact O-CA 3.24Å; E779-M788 PolarHBondContact N-O 3.41Å; E779-M788 PolarHBondContact O-N 3.25Å; E779-I790 HydrophobicContact CB-CD1 3.85Å; E779-I790 HydrophobicContact CB-CG1 3.5Å; E779-I790 WeakPolarHBondContact OE2-CD1 3.49Å
780W93.4Very high91.1Very high21 Ų2153.1 Ų53.18%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-75.5123.1177.5179.7-106.8000111.4M689 C692 K765 E782 Q785 K786 F787M689-W780 HydrophobicContact CE-CB 4.13Å; M689-W780 HydrophobicContact CE-CD2 3.14Å; M689-W780 HydrophobicContact CE-CE3 3.14Å; M689-W780 HydrophobicContact CE-CG 3.6Å; M689-W780 HydrophobicContact CE-CH2 3.85Å; M689-W780 HydrophobicContact CE-CZ2 3.89Å; M689-W780 HydrophobicContact CE-CZ3 3.49Å; M689-W780 VanDerWaalsContact CE-CZ3 3.49Å; C692-W780 HydrophobicContact CB-CH2 4.22Å; K765-W780 HydrophobicContact CB-CB 3.92Å; K765-W780 PolarHBondContact O-N 2.71Å; W780-E782 VanDerWaalsContact CD1-OE2 3.26Å; W780-E782 PolarHBondContact NE1-OE2 2.83Å; W780-Q785 HydrophobicContact CH2-CB 4.13Å; W780-Q785 WeakPolarHBondContact CH2-O 3.28Å; W780-Q785 HydrophobicContact CZ2-CB 4.18Å; W780-Q785 WeakPolarHBondContact CZ3-O 3.48Å; W780-K786 VanDerWaalsContact CZ3-CA 3.43Å; W780-F787 HydrophobicContact CB-CD1 4.13Å; W780-F787 HydrophobicContact CB-CE1 3.76Å; W780-F787 HydrophobicContact CB-CZ 4.06Å; W780-F787 AromaticContact CE3-CD2 3.65Å; W780-F787 HydrophobicContact CE3-CD2 3.65Å; W780-F787 AromaticContact CE3-CE2 3.63Å; W780-F787 HydrophobicContact CE3-CE2 3.63Å; W780-F787 HydrophobicContact CE3-CG 4.17Å; W780-F787 HydrophobicContact CE3-CZ 4.15Å; W780-F787 HydrophobicContact CZ3-CD2 4.09Å; W780-F787 HydrophobicContact CZ3-CE2 4.13Å
781V91.3Very high91Very high43 Ų4356.1 Ų56.126%0.26129%0.291SS..EExtended strand (participates in β ladder)trans-104.8103.4174.9-178.10000108.9S783 M784 Q785 K786 M788V781-S783 VanDerWaalsContact C-N 3.34Å; V781-S783 PolarHBondContact O-N 2.77Å; V781-M784 HydrophobicContact CB-CB 4.36Å; V781-M784 HydrophobicContact CB-CG 4.45Å; V781-M784 HydrophobicContact CG1-CB 4.17Å; V781-M784 HydrophobicContact CG1-CG 3.81Å; V781-M784 HydrophobicContact CG1-SD 4.39Å; V781-M784 CarbonylContact O-C 3.46Å; V781-M784 PolarHBondContact O-N 2.78Å; V781-Q785 PolarHBondContact O-N 3.38Å; V781-K786 PolarHBondContact N-O 3.4Å; V781-M788 HydrophobicContact CB-CG 4.27Å; V781-M788 HydrophobicContact CG2-CB 3.95Å; V781-M788 HydrophobicContact CG2-CG 3.6Å
782E84.7Confident90.9Very high103 Ų10358.5 Ų58.548%0.48130%0.304SS..G310 helixtrans-56.6-44-173.2-163.165.6-132.400112.4N690 W780 M784 Q785N690-E782 PolarHBondContact ND2-OE1 2.92Å; W780-E782 VanDerWaalsContact CD1-OE2 3.26Å; W780-E782 PolarHBondContact NE1-OE2 2.83Å; E782-M784 PolarHBondContact O-N 3.1Å; E782-M784 VanDerWaalsContact O-N 3.07Å; E782-Q785 PolarHBondContact O-N 3.48Å; E782-Q785 VanDerWaalsContact O-N 3.15Å; E782-Q785 PolarHBondContact O-NE2 3.43Å; E782-Q785 PolarHBondContact OE1-NE2 3.47Å
783S85.1Confident91.1Very high116 Ų11651.4 Ų51.481%0.81127%0.271SS*.G310 helixtrans-63.6-14.6177.960.70000114.4V781V781-S783 VanDerWaalsContact C-N 3.34Å; V781-S783 PolarHBondContact O-N 2.77Å
784M82.4Confident91.1Very high103 Ų10353.3 Ų53.351%0.50728%0.275SS..G310 helixtrans-115.6-2.1178.1-55.2-165.194.300113.7V781 E782 K786V781-M784 HydrophobicContact CB-CB 4.36Å; V781-M784 HydrophobicContact CB-CG 4.45Å; V781-M784 HydrophobicContact CG1-CB 4.17Å; V781-M784 HydrophobicContact CG1-CG 3.81Å; V781-M784 HydrophobicContact CG1-SD 4.39Å; V781-M784 CarbonylContact O-C 3.46Å; V781-M784 PolarHBondContact O-N 2.78Å; E782-M784 PolarHBondContact O-N 3.1Å; E782-M784 VanDerWaalsContact O-N 3.07Å; M784-K786 HydrophobicContact CB-CD 4.06Å; M784-K786 HydrophobicContact CB-CG 3.86Å; M784-K786 PolarHBondContact O-N 3.04Å; M784-K786 VanDerWaalsContact O-N 3.17Å; M784-K786 VanDerWaalsContact SD-CE 3.52Å
785Q83.8Confident90.8Very high85 Ų8554.1 Ų54.140%0.39728%0.277SS..THydrogen-bonded Turntrans43.843-174-65.5-66.2-65.100113.7N690 W780 V781 E782N690-Q785 PolarHBondContact ND2-OE1 3.22Å; N690-Q785 VanDerWaalsContact ND2-OE1 3.15Å; W780-Q785 HydrophobicContact CH2-CB 4.13Å; W780-Q785 WeakPolarHBondContact CH2-O 3.28Å; W780-Q785 HydrophobicContact CZ2-CB 4.18Å; W780-Q785 WeakPolarHBondContact CZ3-O 3.48Å; V781-Q785 PolarHBondContact O-N 3.38Å; E782-Q785 PolarHBondContact O-N 3.48Å; E782-Q785 VanDerWaalsContact O-N 3.15Å; E782-Q785 PolarHBondContact O-NE2 3.43Å; E782-Q785 PolarHBondContact OE1-NE2 3.47Å
786K86.7Confident90.3Very high83 Ų8359.3 Ų59.336%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-153.7157.5-178.771.7-166.8-175.3178.90113.3W780 V781 M784 M788W780-K786 VanDerWaalsContact CZ3-CA 3.43Å; V781-K786 PolarHBondContact N-O 3.4Å; M784-K786 HydrophobicContact CB-CD 4.06Å; M784-K786 HydrophobicContact CB-CG 3.86Å; M784-K786 PolarHBondContact O-N 3.04Å; M784-K786 VanDerWaalsContact O-N 3.17Å; M784-K786 VanDerWaalsContact SD-CE 3.52Å; K786-M788 HydrophobicContact CD-SD 4.34Å; K786-M788 WeakPolarHBondContact CE-SD 3.41Å; K786-M788 HydrophobicContact CG-SD 4.31Å
787F91.3Very high89.8Confident17 Ų1759.5 Ų59.58%0.07531%0.312CS..EExtended strand (participates in β ladder)trans-78.9131.8169.8-77.1-81.9000111.3M689 L694 V756 L767 L778 E779 W780M689-F787 HydrophobicContact CE-CD2 4.48Å; M689-F787 HydrophobicContact CE-CE2 3.42Å; M689-F787 VanDerWaalsContact CE-CE2 3.42Å; M689-F787 HydrophobicContact CE-CZ 3.49Å; M689-F787 VanDerWaalsContact CE-CZ 3.49Å; M689-F787 HydrophobicContact SD-CE2 4.44Å; M689-F787 HydrophobicContact SD-CZ 4.14Å; L694-F787 HydrophobicContact CD1-CD2 3.8Å; L694-F787 HydrophobicContact CD1-CE2 3.62Å; L694-F787 HydrophobicContact CD2-CD2 4.4Å; V756-F787 HydrophobicContact CG1-CZ 4.44Å; L767-F787 HydrophobicContact CB-CD1 3.48Å; L767-F787 VanDerWaalsContact CB-CD1 3.48Å; L767-F787 HydrophobicContact CB-CD2 4.29Å; L767-F787 HydrophobicContact CB-CE1 3.49Å; L767-F787 VanDerWaalsContact CB-CE1 3.49Å; L767-F787 HydrophobicContact CB-CE2 4.3Å; L767-F787 HydrophobicContact CB-CG 3.9Å; L767-F787 HydrophobicContact CB-CZ 3.92Å; L767-F787 HydrophobicContact CD2-CB 4.17Å; L767-F787 HydrophobicContact CD2-CD1 4.38Å; L767-F787 HydrophobicContact CD2-CD2 4.06Å; L767-F787 HydrophobicContact CD2-CG 3.94Å; L778-F787 HydrophobicContact CB-CB 3.93Å; L778-F787 HydrophobicContact CB-CD1 4.23Å; L778-F787 HydrophobicContact CD2-CB 4.2Å; E779-F787 CarbonylContact O-C 3.58Å; E779-F787 WeakPolarHBondContact O-CA 3.24Å; W780-F787 HydrophobicContact CB-CD1 4.13Å; W780-F787 HydrophobicContact CB-CE1 3.76Å; W780-F787 HydrophobicContact CB-CZ 4.06Å; W780-F787 AromaticContact CE3-CD2 3.65Å; W780-F787 HydrophobicContact CE3-CD2 3.65Å; W780-F787 AromaticContact CE3-CE2 3.63Å; W780-F787 HydrophobicContact CE3-CE2 3.63Å; W780-F787 HydrophobicContact CE3-CG 4.17Å; W780-F787 HydrophobicContact CE3-CZ 4.15Å; W780-F787 HydrophobicContact CZ3-CD2 4.09Å; W780-F787 HydrophobicContact CZ3-CE2 4.13Å
788M92.3Very high89.2Confident77 Ų7761.3 Ų61.338%0.37932%0.324SS..EExtended strand (participates in β ladder)trans-113.3135.9178-71.1-61.4-66.900110.1L778 E779 V781 K786 I790L778-M788 CarbonylContact C-O 3.52Å; L778-M788 WeakPolarHBondContact CA-O 3.32Å; L778-M788 WeakPolarHBondContact CB-O 3.22Å; E779-M788 PolarHBondContact N-O 3.41Å; E779-M788 PolarHBondContact O-N 3.25Å; V781-M788 HydrophobicContact CB-CG 4.27Å; V781-M788 HydrophobicContact CG2-CB 3.95Å; V781-M788 HydrophobicContact CG2-CG 3.6Å; K786-M788 HydrophobicContact CD-SD 4.34Å; K786-M788 WeakPolarHBondContact CE-SD 3.41Å; K786-M788 HydrophobicContact CG-SD 4.31Å; M788-I790 PolarHBondContact O-N 2.85Å
789L94.4Very high88.4Confident90 Ų9067 Ų6747%0.47136%0.363SS..EExtended strand (participates in β ladder)trans-64.3125178.1179.162000110.7M776 L778M776-L789 HydrophobicContact CB-CD1 4.06Å; M776-L789 HydrophobicContact CE-CD1 3.77Å; M776-L789 HydrophobicContact CE-CD2 3.76Å; M776-L789 HydrophobicContact CE-CG 4.36Å; M776-L789 HydrophobicContact CG-CD1 4.44Å; L778-L789 HydrophobicContact CG-CD1 4.37Å
790I93.8Very high87.9Confident61 Ų6169.2 Ų69.231%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-101.1-50.3175-60.4-54.8000110.7L777 E779 M788 Y814L777-I790 PolarHBondContact O-N 3.47Å; E779-I790 HydrophobicContact CB-CD1 3.85Å; E779-I790 HydrophobicContact CB-CG1 3.5Å; E779-I790 WeakPolarHBondContact OE2-CD1 3.49Å; M788-I790 PolarHBondContact O-N 2.85Å; I790-Y814 HydrophobicContact CG2-CD1 4.45Å; I790-Y814 HydrophobicContact CG2-CE1 3.64Å
791K92.5Very high87.6Confident63 Ų6368.7 Ų68.727%0.27438%0.379SS..EExtended strand (participates in β ladder)trans-147.5134.6-177.2-162.5166.9177.2169.90110.7L777 I793 P838 A840L777-K791 PolarHBondContact N-O 3.16Å; L777-K791 PolarHBondContact O-N 2.84Å; K791-I793 HydrophobicContact CD-CD1 4.24Å; K791-I793 HydrophobicContact CD-CG1 4.07Å; K791-I793 HydrophobicContact CG-CD1 4.44Å; K791-I793 HydrophobicContact CG-CG1 3.85Å; K791-P838 HydrophobicContact CD-CB 4.42Å; K791-P838 WeakPolarHBondContact CD-O 3.47Å; K791-P838 PolarHBondContact NZ-O 3.17Å; K791-A840 PolarHBondContact NZ-O 3.09Å
792N92.5Very high87.3Confident63 Ų6371.3 Ų71.334%0.33739%0.388SS..EExtended strand (participates in β ladder)trans-101.9134.5159.8-18054.8000107.5S774 V775 M776 D794S774-N792 WeakPolarHBondContact CB-OD1 3.38Å; S774-N792 PolarHBondContact OG-OD1 3.43Å; V775-N792 PolarHBondContact O-OD1 3.18Å; M776-N792 HydrophobicContact CG-CB 4.42Å; M776-N792 WeakPolarHBondContact CG-OD1 3.4Å; N792-D794 PolarHBondContact ND2-OD1 3.08Å; N792-D794 PolarHBondContact ND2-OD2 3.06Å
793I91.5Very high87.4Confident10 Ų1066.8 Ų66.85%0.05137%0.367CS..EExtended strand (participates in β ladder)trans-125.3110.4-179.9-49173.7000107.1S774 V775 K791 F795 V836 P838S774-I793 CarbonylContact C-O 3.58Å; S774-I793 WeakPolarHBondContact CA-O 3.46Å; S774-I793 WeakPolarHBondContact CB-O 3.27Å; V775-I793 HydrophobicContact CG2-CB 4.09Å; V775-I793 HydrophobicContact CG2-CD1 4.34Å; V775-I793 HydrophobicContact CG2-CG1 4.46Å; V775-I793 PolarHBondContact N-O 2.92Å; V775-I793 PolarHBondContact O-N 3.31Å; K791-I793 HydrophobicContact CD-CD1 4.24Å; K791-I793 HydrophobicContact CD-CG1 4.07Å; K791-I793 HydrophobicContact CG-CD1 4.44Å; K791-I793 HydrophobicContact CG-CG1 3.85Å; I793-F795 HydrophobicContact CG2-CD1 4.17Å; I793-F795 WeakPolarHBondContact O-CD1 3.38Å; I793-V836 HydrophobicContact CD1-CG1 3.86Å; I793-V836 HydrophobicContact CG2-CG1 4.04Å; I793-P838 HydrophobicContact CD1-CB 3.93Å; I793-P838 HydrophobicContact CD1-CG 4.01Å
794D89.6Confident87.8Confident117 Ų11761.9 Ų61.963%0.62633%0.332SS*.EExtended strand (participates in β ladder)trans-87.2117.8-176.7-58.6-48000110.9S773 S774 N792S773-D794 CarbonylContact O-C 3.52Å; S773-D794 WeakPolarHBondContact O-CA 3.18Å; S774-D794 WeakPolarHBondContact CB-OD1 3.29Å; N792-D794 PolarHBondContact ND2-OD1 3.08Å; N792-D794 PolarHBondContact ND2-OD2 3.06Å
795F85.1Confident88.4Confident30 Ų3058.7 Ų58.713%0.13232%0.315CS..  trans-164.7151174.571-75.2000109.5S773 S774 V775 I793 L797 V819 V836S773-F795 CarbonylContact C-O 3.48Å; S773-F795 VanDerWaalsContact CA-O 3.28Å; S773-F795 WeakPolarHBondContact CA-O 3.44Å; S773-F795 CarbonylContact O-C 3.58Å; S773-F795 PolarHBondContact O-N 3.49Å; S773-F795 VanDerWaalsContact O-O 3.06Å; S774-F795 PolarHBondContact N-O 3.31Å; V775-F795 HydrophobicContact CB-CE1 4.22Å; V775-F795 HydrophobicContact CG1-CE1 3.67Å; V775-F795 HydrophobicContact CG1-CZ 3.74Å; V775-F795 HydrophobicContact CG2-CE1 3.77Å; V775-F795 HydrophobicContact CG2-CZ 4.46Å; I793-F795 HydrophobicContact CG2-CD1 4.17Å; I793-F795 WeakPolarHBondContact O-CD1 3.38Å; F795-L797 HydrophobicContact CE1-CD2 4.42Å; F795-L797 HydrophobicContact CE2-CD2 3.54Å; F795-L797 HydrophobicContact CE2-CG 4.39Å; F795-L797 HydrophobicContact CZ-CD2 3.4Å; F795-L797 HydrophobicContact CZ-CG 4.31Å; F795-L797 PolarHBondContact O-N 2.71Å; F795-V819 HydrophobicContact CE2-CG2 4.44Å; F795-V819 HydrophobicContact CZ-CG1 4.23Å; F795-V836 HydrophobicContact CD1-CG2 4.29Å; F795-V836 HydrophobicContact CD2-CG2 4.16Å; F795-V836 HydrophobicContact CE1-CB 4.41Å; F795-V836 HydrophobicContact CE1-CG1 4.25Å; F795-V836 HydrophobicContact CE1-CG2 3.74Å; F795-V836 HydrophobicContact CE2-CG2 3.56Å; F795-V836 HydrophobicContact CZ-CB 4.29Å; F795-V836 HydrophobicContact CZ-CG2 3.35Å
796P83.6Confident88.9Confident110 Ų11055 Ų5571%0.71430%0.298SS*.PPolyproline II helixtrans-66.1124.9176.327.5-33.9000111
797L84.7Confident89.2Confident18 Ų1851.2 Ų51.29%0.09428%0.282CS..PPolyproline II helixtrans-76.7151171.1-78-178000111.3A770 F771 Q772 V775 F795 L801 V819A770-L797 HydrophobicContact CB-CD1 3.43Å; A770-L797 VanDerWaalsContact CB-CD1 3.43Å; F771-L797 WeakPolarHBondContact O-CD1 3.41Å; F771-L797 WeakPolarHBondContact O-CG 3.31Å; Q772-L797 PolarHBondContact O-N 2.82Å; V775-L797 HydrophobicContact CG1-CD1 4.38Å; V775-L797 HydrophobicContact CG1-CD2 4.03Å; F795-L797 HydrophobicContact CE1-CD2 4.42Å; F795-L797 HydrophobicContact CE2-CD2 3.54Å; F795-L797 HydrophobicContact CE2-CG 4.39Å; F795-L797 HydrophobicContact CZ-CD2 3.4Å; F795-L797 HydrophobicContact CZ-CG 4.31Å; F795-L797 PolarHBondContact O-N 2.71Å; L797-L801 HydrophobicContact CB-CD1 4.46Å; L797-L801 HydrophobicContact CD1-CD1 4.39Å; L797-L801 HydrophobicContact CD1-CD2 3.9Å; L797-L801 HydrophobicContact CD2-CD1 4.15Å; L797-V819 HydrophobicContact CD2-CB 4.11Å; L797-V819 HydrophobicContact CD2-CG1 3.73Å
798P83.9Confident89.3Confident38 Ų3850.7 Ų50.725%0.24728%0.28CS..PPolyproline II helixtrans-54.5140.5166.3-23.933.9000111.8P800 L801 V819 A820 Q852P798-P800 CarbonylContact C-O 3.53Å; P798-P800 CarbonylContact O-C 3.6Å; P798-L801 WeakPolarHBondContact O-CA 3.5Å; P798-L801 PolarHBondContact O-N 3.3Å; P798-V819 HydrophobicContact CG-CG2 4.43Å; P798-A820 HydrophobicContact CG-CB 4.42Å; P798-Q852 VanDerWaalsContact CB-NE2 3.34Å
799C78.8Confident89.3Confident125 Ų12547.8 Ų47.885%0.84527%0.267SS*.SBendtrans-129.8112.5177.3-169.90000109.2
800P84.3Confident88.8Confident80 Ų8045.9 Ų45.952%0.51926%0.26SS..SBendcis-68152-130.8-36.4000113.5P798 E802P798-P800 CarbonylContact C-O 3.53Å; P798-P800 CarbonylContact O-C 3.6Å; P800-E802 WeakPolarHBondContact CB-OE1 3.34Å; P800-E802 HydrophobicContact CG-CG 4.36Å; P800-E802 WeakPolarHBondContact CG-OE1 3.37Å; P800-E802 PolarHBondContact O-N 3.39Å
801L87.1Confident88.4Confident11 Ų1151.5 Ų51.56%0.05829%0.285CS..  trans-87.683.5174.2-177.567.6000109.2K753 A770 L797 P798 F804 V819K753-L801 HydrophobicContact CB-CD2 4.21Å; K753-L801 HydrophobicContact CD-CD2 4.16Å; K753-L801 HydrophobicContact CD-CG 4.39Å; K753-L801 VanDerWaalsContact CE-O 3.26Å; K753-L801 WeakPolarHBondContact CE-O 3.15Å; K753-L801 HydrophobicContact CG-CD2 4.33Å; K753-L801 PolarHBondContact NZ-O 3.29Å; A770-L801 HydrophobicContact CB-CD2 3.58Å; L797-L801 HydrophobicContact CB-CD1 4.46Å; L797-L801 HydrophobicContact CD1-CD1 4.39Å; L797-L801 HydrophobicContact CD1-CD2 3.9Å; L797-L801 HydrophobicContact CD2-CD1 4.15Å; P798-L801 WeakPolarHBondContact O-CA 3.5Å; P798-L801 PolarHBondContact O-N 3.3Å; L801-F804 HydrophobicContact CD1-CD2 4.47Å; L801-F804 HydrophobicContact CD2-CB 4.13Å; L801-F804 HydrophobicContact CD2-CD2 4.01Å; L801-F804 HydrophobicContact CD2-CG 4.18Å; L801-F804 HydrophobicContact CG-CB 4.34Å; L801-V819 HydrophobicContact CD1-CB 4.23Å
802E84.9Confident88.3Confident98 Ų9851.2 Ų51.246%0.45828%0.284SS..  trans-69.1-54-178.5-63.8-55.2151.700112K753 P800K753-E802 PolarHBondContact NZ-O 3.35Å; P800-E802 WeakPolarHBondContact CB-OE1 3.34Å; P800-E802 HydrophobicContact CG-CG 4.36Å; P800-E802 WeakPolarHBondContact CG-OE1 3.37Å; P800-E802 PolarHBondContact O-N 3.39Å
803V88.4Confident88.2Confident8 Ų854.3 Ų54.35%0.04830%0.298CS..  trans-97.3131.9-179-177.90000110.7V819 V821 V855 V858V803-V819 CarbonylContact O-C 3.58Å; V803-V819 WeakPolarHBondContact O-CA 3.44Å; V803-V821 HydrophobicContact CG1-CG2 4.35Å; V803-V821 HydrophobicContact CG2-CB 4.48Å; V803-V821 HydrophobicContact CG2-CG2 4.19Å; V803-V855 HydrophobicContact CG2-CB 4.16Å; V803-V855 HydrophobicContact CG2-CG1 3.74Å; V803-V858 HydrophobicContact CG1-CB 4.27Å; V803-V858 HydrophobicContact CG1-CG2 3.77Å; V803-V858 HydrophobicContact CG2-CG2 4.24Å
804F93Very high88.3Confident13 Ų1356.3 Ų56.36%0.05731%0.305CS..  trans-150.788.1170.6-168-105.6000111.3K753 C755 C768 A770 V775 L801 I817 C818 V819K753-F804 HydrophobicContact CB-CB 4.13Å; K753-F804 HydrophobicContact CB-CD1 3.91Å; K753-F804 HydrophobicContact CB-CG 4.16Å; K753-F804 HydrophobicContact CD-CB 4Å; C755-F804 HydrophobicContact CB-CD1 4.36Å; C768-F804 HydrophobicContact CB-CE1 4.33Å; C768-F804 HydrophobicContact CB-CZ 4.21Å; A770-F804 HydrophobicContact CB-CD1 4.18Å; A770-F804 HydrophobicContact CB-CD2 3.75Å; A770-F804 HydrophobicContact CB-CE1 3.84Å; A770-F804 HydrophobicContact CB-CE2 3.39Å; A770-F804 HydrophobicContact CB-CG 4.13Å; A770-F804 HydrophobicContact CB-CZ 3.42Å; A770-F804 VanDerWaalsContact CB-CZ 3.42Å; V775-F804 HydrophobicContact CG1-CE2 3.95Å; V775-F804 HydrophobicContact CG1-CZ 4.33Å; L801-F804 HydrophobicContact CD1-CD2 4.47Å; L801-F804 HydrophobicContact CD2-CB 4.13Å; L801-F804 HydrophobicContact CD2-CD2 4.01Å; L801-F804 HydrophobicContact CD2-CG 4.18Å; L801-F804 HydrophobicContact CG-CB 4.34Å; F804-I817 HydrophobicContact CD2-CG2 4.45Å; F804-I817 HydrophobicContact CE2-CG2 3.75Å; F804-I817 HydrophobicContact CZ-CG2 4.2Å; F804-C818 WeakPolarHBondContact CA-O 3.39Å; F804-V819 HydrophobicContact CD2-CG1 4.13Å; F804-V819 HydrophobicContact CE2-CG1 4.23Å
805E93.6Very high88.5Confident35 Ų3550.8 Ų50.816%0.16428%0.276CS..EExtended strand (participates in β ladder)trans-138.1150.7-173.2-74-75.9-16800110.9C818 H857 V858 R945E805-C818 PolarHBondContact N-O 3.14Å; E805-C818 WeakPolarHBondContact O-CB 3.43Å; E805-C818 PolarHBondContact O-N 2.66Å; E805-H857 IonicContact OE1-CE1 3.39Å; E805-H857 PolarHBondContact OE1-CE1 3.41Å; E805-H857 IonicContact OE1-NE2 2.67Å; E805-V858 HydrophobicContact CG-CB 4.35Å; E805-V858 WeakPolarHBondContact CG-O 3.46Å; E805-R945 IonicContact OE1-CZ 3.47Å; E805-R945 IonicContact OE1-NH1 2.8Å; E805-R945 PolarHBondContact OE1-NH1 2.94Å; E805-R945 IonicContact OE2-NH1 3.54Å
806M94.4Very high88.9Confident8 Ų850.4 Ų50.44%0.03928%0.275CS..EExtended strand (participates in β ladder)trans-99.5132.8175.7-81.7-175.8-74.300111.5C755 V757 Y766 C768 L777 P815 L816 I817C755-M806 VanDerWaalsContact O-CE 3.26Å; C755-M806 WeakPolarHBondContact O-CE 3.41Å; V757-M806 HydrophobicContact CB-CB 4.15Å; V757-M806 HydrophobicContact CB-CE 4.25Å; V757-M806 HydrophobicContact CG1-CB 3.75Å; V757-M806 HydrophobicContact CG1-CE 3.87Å; V757-M806 HydrophobicContact CG1-CG 4.49Å; V757-M806 HydrophobicContact CG1-SD 3.96Å; Y766-M806 WeakPolarHBondContact O-CE 3.39Å; C768-M806 HydrophobicContact CB-CE 3.77Å; C768-M806 HydrophobicContact CB-CG 4.24Å; C768-M806 HydrophobicContact CB-SD 3.72Å; L777-M806 HydrophobicContact CD1-SD 3.89Å; M806-P815 HydrophobicContact CB-CB 3.92Å; M806-P815 HydrophobicContact CG-CB 4.15Å; M806-P815 HydrophobicContact SD-CB 4.14Å; M806-P815 HydrophobicContact SD-CG 4.23Å; M806-L816 CarbonylContact C-O 3.49Å; M806-L816 WeakPolarHBondContact CA-O 3.31Å; M806-I817 HydrophobicContact CG-CG1 4.39Å
807L94.2Very high89.4Confident4 Ų445.1 Ų45.12%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-110.6116.8178.9-55.7175.8000109.3P815 L816 C818 T835 Q860 I866 L879L807-P815 CarbonylContact O-C 3.54Å; L807-P815 WeakPolarHBondContact O-CA 3.11Å; L807-L816 HydrophobicContact CB-CB 4.38Å; L807-L816 PolarHBondContact N-O 2.91Å; L807-L816 PolarHBondContact O-N 2.79Å; L807-C818 HydrophobicContact CD1-CB 4.05Å; L807-C818 HydrophobicContact CG-CB 4.28Å; L807-T835 HydrophobicContact CD1-CG2 4.26Å; L807-Q860 HydrophobicContact CD2-CB 4.32Å; L807-I866 HydrophobicContact CD1-CD1 3.8Å; L807-I866 HydrophobicContact CD2-CD1 3.78Å; L807-I866 HydrophobicContact CD2-CG1 4.18Å; L807-I866 HydrophobicContact CG-CD1 4.37Å; L807-L879 HydrophobicContact CB-CD2 4.42Å
808V93.6Very high89.8Confident5 Ų544.3 Ų44.33%0.0324%0.236CC..  trans-83.8119.7179.3-170.40000109.6V757 N759 Y761 P815 Q860V757-V808 HydrophobicContact CG1-CG2 4.07Å; V757-V808 HydrophobicContact CG2-CG2 3.67Å; N759-V808 HydrophobicContact CB-CG1 4.06Å; Y761-V808 HydrophobicContact CD2-CG1 4.21Å; Y761-V808 HydrophobicContact CE2-CG1 4.02Å; V808-P815 HydrophobicContact CG2-CG 4.39Å; V808-Q860 PolarHBondContact O-NE2 3.08Å
809V91.4Very high90.1Very high17 Ų1742.8 Ų42.810%0.10323%0.227CC..  trans-106.5127.3174.6-177.90000107.9E811 H812 L816 L879V809-E811 PolarHBondContact O-N 3.4Å; V809-H812 HydrophobicContact CB-CB 4.09Å; V809-H812 PolarHBondContact O-N 3.23Å; V809-H812 VanDerWaalsContact O-N 3.11Å; V809-L816 HydrophobicContact CG2-CD1 3.77Å; V809-L816 HydrophobicContact CG2-CG 4.03Å; V809-L879 HydrophobicContact CG2-CD1 4.21Å; V809-L879 HydrophobicContact CG2-CD2 4.2Å
810P84.9Confident90.6Very high50 Ų5037.9 Ų37.933%0.32520%0.195SC..THydrogen-bonded Turntrans-57.9-33.4-173.2-22.629.9000115Y761 H812 R863Y761-P810 HydrophobicContact CD2-CB 4.05Å; Y761-P810 HydrophobicContact CD2-CG 4.35Å; Y761-P810 HydrophobicContact CE2-CB 3.85Å; Y761-P810 HydrophobicContact CE2-CG 3.65Å; P810-H812 VanDerWaalsContact C-N 3.34Å; P810-R863 HydrophobicContact CG-CG 3.65Å
811E85.4Confident90.8Very high179 Ų17934.1 Ų34.184%0.83617%0.17SC*.THydrogen-bonded Turntrans-85.3-6.8-176-66.8158-154.800112.9V809V809-E811 PolarHBondContact O-N 3.4Å
812H90Very high90.9Very high57 Ų5734.2 Ų34.226%0.26417%0.172SC..  trans-102.2139.8-178.5-69.4177.2000111.5V809 P810 Y814V809-H812 HydrophobicContact CB-CB 4.09Å; V809-H812 PolarHBondContact O-N 3.23Å; V809-H812 VanDerWaalsContact O-N 3.11Å; P810-H812 VanDerWaalsContact C-N 3.34Å; H812-Y814 VanDerWaalsContact C-N 3.35Å; H812-Y814 WeakPolarHBondContact CB-O 3.42Å
813M89.6Confident90.9Very high127 Ų12737.3 Ų37.363%0.62618%0.184SC*.SBendtrans-64.6-40.6174.2-176.4178.9-69.800111.5Y766 N839Y766-M813 PolarHBondContact OH-O 3.28Å; M813-N839 PolarHBondContact N-OD1 3.37Å; M813-N839 VanDerWaalsContact N-OD1 3.15Å
814Y93.4Very high90.8Very high52 Ų5237.6 Ų37.620%0.20419%0.189CC..SBendtrans-118.8145.8-179.2-54.5-62.3000111.8Y766 L777 I790 H812 P838 N839Y766-Y814 AromaticContact CE1-CD1 3.99Å; Y766-Y814 HydrophobicContact CE1-CD1 3.99Å; Y766-Y814 HydrophobicContact CE1-CE1 4.38Å; L777-Y814 HydrophobicContact CD2-CD1 3.97Å; L777-Y814 HydrophobicContact CD2-CG 4Å; I790-Y814 HydrophobicContact CG2-CD1 4.45Å; I790-Y814 HydrophobicContact CG2-CE1 3.64Å; H812-Y814 VanDerWaalsContact C-N 3.35Å; H812-Y814 WeakPolarHBondContact CB-O 3.42Å; Y814-P838 HydrophobicContact CD2-CB 4.33Å; Y814-P838 HydrophobicContact CG-CB 4.38Å; Y814-N839 PolarHBondContact N-OD1 2.76Å; Y814-N839 PolarHBondContact O-ND2 2.98Å
815P94.4Very high90.2Very high1 Ų141.1 Ų41.11%0.00621%0.212CC..  trans-57.3148.8172.8-22.132.7000112.7V757 Y766 M806 L807 V808 P838V757-P815 HydrophobicContact CG1-CB 4.28Å; V757-P815 HydrophobicContact CG1-CG 3.73Å; Y766-P815 HydrophobicContact CD2-CG 3.62Å; Y766-P815 HydrophobicContact CE2-CG 4.17Å; Y766-P815 HydrophobicContact CG-CG 4.15Å; M806-P815 HydrophobicContact CB-CB 3.92Å; M806-P815 HydrophobicContact CG-CB 4.15Å; M806-P815 HydrophobicContact SD-CB 4.14Å; M806-P815 HydrophobicContact SD-CG 4.23Å; L807-P815 CarbonylContact O-C 3.54Å; L807-P815 WeakPolarHBondContact O-CA 3.11Å; V808-P815 HydrophobicContact CG2-CG 4.39Å; P815-P838 VanDerWaalsContact O-CD 3.22Å; P815-P838 WeakPolarHBondContact O-CD 3.49Å; P815-P838 WeakPolarHBondContact O-CG 3.25Å
816L93.6Very high89.9Confident22 Ų2244.1 Ų44.112%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-75140.8166.4-62.7179.7000109.4M806 L807 V809 T835 N837M806-L816 CarbonylContact C-O 3.49Å; M806-L816 WeakPolarHBondContact CA-O 3.31Å; L807-L816 HydrophobicContact CB-CB 4.38Å; L807-L816 PolarHBondContact N-O 2.91Å; L807-L816 PolarHBondContact O-N 2.79Å; V809-L816 HydrophobicContact CG2-CD1 3.77Å; V809-L816 HydrophobicContact CG2-CG 4.03Å; L816-T835 HydrophobicContact CB-CG2 4.35Å; L816-N837 HydrophobicContact CD2-CB 3.66Å; L816-N837 VanDerWaalsContact CD2-CG 3.46Å; L816-N837 WeakPolarHBondContact CD2-OD1 3.44Å
817I93.6Very high89.1Confident0 Ų052.5 Ų52.50%027%0.27CS..EExtended strand (participates in β ladder)trans-102.3103.7-178.1-55.6165.9000108V775 F804 M806 V819 T835 V836 P838V775-I817 HydrophobicContact CB-CD1 4.45Å; V775-I817 HydrophobicContact CG2-CD1 3.57Å; F804-I817 HydrophobicContact CD2-CG2 4.45Å; F804-I817 HydrophobicContact CE2-CG2 3.75Å; F804-I817 HydrophobicContact CZ-CG2 4.2Å; M806-I817 HydrophobicContact CG-CG1 4.39Å; I817-V819 HydrophobicContact CG2-CG1 4Å; I817-V819 PolarHBondContact O-N 2.9Å; I817-T835 CarbonylContact O-C 3.57Å; I817-T835 VanDerWaalsContact O-CA 3.28Å; I817-T835 WeakPolarHBondContact O-CA 3.47Å; I817-V836 HydrophobicContact CB-CB 4.4Å; I817-V836 PolarHBondContact N-O 3.26Å; I817-V836 PolarHBondContact O-N 2.98Å; I817-P838 HydrophobicContact CD1-CG 3.75Å; I817-P838 HydrophobicContact CG1-CG 4.1Å
818C92.9Very high88.5Confident0 Ų058.1 Ų58.10%030%0.3CS..EExtended strand (participates in β ladder)trans-81.8114.1178.4-175.30000110.3F804 E805 L807 A820 T835F804-C818 WeakPolarHBondContact CA-O 3.39Å; E805-C818 PolarHBondContact N-O 3.14Å; E805-C818 WeakPolarHBondContact O-CB 3.43Å; E805-C818 PolarHBondContact O-N 2.66Å; L807-C818 HydrophobicContact CD1-CB 4.05Å; L807-C818 HydrophobicContact CG-CB 4.28Å; C818-A820 PolarHBondContact SG-O 2.99Å; C818-T835 HydrophobicContact CB-CG2 4.21Å
819V90.8Very high88.2Confident7 Ų759.2 Ų59.24%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-111.6-9.9-176.8-590000113.6F795 L797 P798 L801 V803 F804 I817 G834F795-V819 HydrophobicContact CE2-CG2 4.44Å; F795-V819 HydrophobicContact CZ-CG1 4.23Å; L797-V819 HydrophobicContact CD2-CB 4.11Å; L797-V819 HydrophobicContact CD2-CG1 3.73Å; P798-V819 HydrophobicContact CG-CG2 4.43Å; L801-V819 HydrophobicContact CD1-CB 4.23Å; V803-V819 CarbonylContact O-C 3.58Å; V803-V819 WeakPolarHBondContact O-CA 3.44Å; F804-V819 HydrophobicContact CD2-CG1 4.13Å; F804-V819 HydrophobicContact CE2-CG1 4.23Å; I817-V819 HydrophobicContact CG2-CG1 4Å; I817-V819 PolarHBondContact O-N 2.9Å; V819-G834 WeakPolarHBondContact CG2-O 3.29Å; V819-G834 PolarHBondContact N-O 2.94Å
820A88.9Confident88.1Confident21 Ų2160.3 Ų60.317%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-155.1156176.900000110.9P798 C818 G834P798-A820 HydrophobicContact CG-CB 4.42Å; C818-A820 PolarHBondContact SG-O 2.99Å; A820-G834 PolarHBondContact N-O 2.86Å; A820-G834 PolarHBondContact O-N 2.86Å
821V89.1Confident88.4Confident1 Ų158.1 Ų58.11%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-132.5128.1165.4176.60000108.4V803 V831 R832 F833 T853 V855 V858 V868V803-V821 HydrophobicContact CG1-CG2 4.35Å; V803-V821 HydrophobicContact CG2-CB 4.48Å; V803-V821 HydrophobicContact CG2-CG2 4.19Å; V821-V831 HydrophobicContact CG1-CB 3.91Å; V821-V831 HydrophobicContact CG1-CG1 4.19Å; V821-R832 WeakPolarHBondContact CA-O 3.29Å; V821-F833 HydrophobicContact CG2-CD1 3.71Å; V821-F833 HydrophobicContact CG2-CE1 4.02Å; V821-T853 PolarHBondContact O-N 3.34Å; V821-T853 PolarHBondContact O-OG1 3.01Å; V821-T853 VanDerWaalsContact O-OG1 3.05Å; V821-V855 HydrophobicContact CB-CB 4.36Å; V821-V855 HydrophobicContact CB-CG1 4.25Å; V821-V855 HydrophobicContact CB-CG2 3.74Å; V821-V855 HydrophobicContact CG1-CG2 3.7Å; V821-V855 HydrophobicContact CG2-CG1 4.41Å; V821-V858 HydrophobicContact CG2-CG2 3.93Å; V821-V868 HydrophobicContact CG1-CG1 4.33Å
822S88Confident88.6Confident14 Ų1453.1 Ų53.110%0.09827%0.27CS..EExtended strand (participates in β ladder)trans-122.7173.3176.864.10000111V831 R832S822-V831 CarbonylContact O-C 3.54Å; S822-V831 WeakPolarHBondContact O-CA 3.46Å; S822-R832 PolarHBondContact N-O 3.48Å; S822-R832 PolarHBondContact O-N 2.82Å
823K86.3Confident88.6Confident162 Ų16251.4 Ų51.470%0.70426%0.262SS*.EExtended strand (participates in β ladder)trans-64.4137.1173.4-172.3177.6177.7-177.40109.6T853K823-T853 HydrophobicContact CB-CG2 4.02Å
824G85.3Confident88.6Confident15 Ų1545.9 Ų45.916%0.15524%0.238CC..  trans-60.8147.1177.100000113.1Q829 V830G824-Q829 WeakPolarHBondContact CA-O 3.29Å; G824-V830 PolarHBondContact N-O 3.02Å
825T81.5Confident88.4Confident87 Ų8745.3 Ų45.353%0.53424%0.239SC..SBendtrans-97.7-14.5-177.245.10000113.4Q829T825-Q829 PolarHBondContact OG1-OE1 3.43Å
826E85.5Confident88.2Confident97 Ų9745.7 Ų45.745%0.45324%0.242SC..SBendtrans-103.7153.1178.7-55.8178.3167.500111.9N828 Q829 R882E826-N828 PolarHBondContact O-N 3.31Å; E826-Q829 HydrophobicContact CB-CB 3.89Å; E826-Q829 PolarHBondContact O-N 2.79Å; E826-R882 IonicContact OE2-CZ 3.53Å; E826-R882 IonicContact OE2-NE 3.54Å; E826-R882 IonicContact OE2-NH2 2.69Å; E826-R882 PolarHBondContact OE2-NH2 3.19Å
827L77.8Confident88.1Confident184 Ų18447 Ų4796%0.96325%0.249SC*.THydrogen-bonded Turntrans-51.8-29.3-179.3-84.5153.7000115.5
828N82.6Confident88Confident122 Ų12247.1 Ų47.165%0.65225%0.25SC*.THydrogen-bonded Turntrans-110.21.9-179.6-68.7-22000113.7E826 R882E826-N828 PolarHBondContact O-N 3.31Å; N828-R882 WeakPolarHBondContact O-CA 3.36Å; N828-R882 WeakPolarHBondContact O-CB 3.1Å; N828-R882 WeakPolarHBondContact O-CG 3.46Å
829Q88.2Confident87.8Confident28 Ų2849.6 Ų49.613%0.13126%0.263CS..BIsolated β-bridgetrans-97.5114.8177.9-176.6-177.657.800108.4G824 T825 E826 V831 Q880 R882G824-Q829 WeakPolarHBondContact CA-O 3.29Å; T825-Q829 PolarHBondContact OG1-OE1 3.43Å; E826-Q829 HydrophobicContact CB-CB 3.89Å; E826-Q829 PolarHBondContact O-N 2.79Å; Q829-V831 WeakPolarHBondContact CG-O 3.37Å; Q829-Q880 PolarHBondContact NE2-O 3.06Å; Q829-R882 HydrophobicContact CB-CG 4.43Å
830V88.4Confident87.6Confident41 Ų4150.7 Ų50.725%0.24827%0.273CS..SBendtrans-85.7-28.5179.6-68.30000112.4G824 K875 V877 G881 L883G824-V830 PolarHBondContact N-O 3.02Å; V830-K875 HydrophobicContact CB-CD 4.46Å; V830-K875 HydrophobicContact CG2-CD 4.3Å; V830-V877 HydrophobicContact CG2-CG1 3.49Å; V830-V877 VanDerWaalsContact CG2-CG1 3.49Å; V830-G881 VanDerWaalsContact CG2-O 3.31Å; V830-G881 WeakPolarHBondContact CG2-O 3.25Å; V830-G881 PolarHBondContact N-O 3.02Å; V830-L883 HydrophobicContact CB-CG 4.37Å; V830-L883 HydrophobicContact CG1-CD1 3.83Å; V830-L883 HydrophobicContact CG1-CD2 4.35Å; V830-L883 HydrophobicContact CG1-CG 3.69Å; V830-L883 HydrophobicContact CG2-CD2 3.8Å; V830-L883 HydrophobicContact CG2-CG 3.77Å
831V90.7Very high86.7Confident3 Ų356.9 Ų56.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-138.4150.1177.3-62.10000110.2V821 S822 Q829 F833 V868 V877 G881V821-V831 HydrophobicContact CG1-CB 3.91Å; V821-V831 HydrophobicContact CG1-CG1 4.19Å; S822-V831 CarbonylContact O-C 3.54Å; S822-V831 WeakPolarHBondContact O-CA 3.46Å; Q829-V831 WeakPolarHBondContact CG-O 3.37Å; V831-F833 HydrophobicContact CG2-CE2 4.15Å; V831-F833 HydrophobicContact CG2-CZ 4.01Å; V831-V868 HydrophobicContact CG1-CG1 4.46Å; V831-V868 HydrophobicContact CG2-CG2 4.37Å; V831-V877 HydrophobicContact CG2-CG1 4.2Å; V831-V877 HydrophobicContact CG2-CG2 4.04Å; V831-G881 PolarHBondContact N-O 3.29Å; V831-G881 VanDerWaalsContact O-CA 3.31Å; V831-G881 WeakPolarHBondContact O-CA 3.29Å
832R89.9Confident85.4Confident75 Ų7560.7 Ų60.728%0.28334%0.335SS..EExtended strand (participates in β ladder)trans-116.3125.3170.8176.7168.8168.2-175.4-16.2108.4V821 S822 E847V821-R832 WeakPolarHBondContact CA-O 3.29Å; S822-R832 PolarHBondContact N-O 3.48Å; S822-R832 PolarHBondContact O-N 2.82Å; R832-E847 IonicContact CZ-OE2 3.95Å; R832-E847 IonicContact NH1-OE2 3.25Å; R832-E847 IonicContact NH2-OE2 3.68Å; R832-E847 PolarHBondContact NH2-OE2 2.72Å
833F90Very high83.7Confident21 Ų2162 Ų629%0.09234%0.344CS..EExtended strand (participates in β ladder)trans-83.2124.2176.2-61.8-76.1000109.9V821 V831 T835 V858 I866 V868 V877V821-F833 HydrophobicContact CG2-CD1 3.71Å; V821-F833 HydrophobicContact CG2-CE1 4.02Å; V831-F833 HydrophobicContact CG2-CE2 4.15Å; V831-F833 HydrophobicContact CG2-CZ 4.01Å; F833-T835 HydrophobicContact CB-CG2 3.8Å; F833-T835 PolarHBondContact O-N 3.02Å; F833-V858 HydrophobicContact CE1-CG1 4.17Å; F833-I866 HydrophobicContact CD2-CD1 4.45Å; F833-I866 HydrophobicContact CE1-CD1 4.24Å; F833-I866 HydrophobicContact CE1-CG2 4.09Å; F833-I866 HydrophobicContact CE2-CD1 3.74Å; F833-I866 HydrophobicContact CZ-CB 4.13Å; F833-I866 HydrophobicContact CZ-CD1 3.63Å; F833-I866 HydrophobicContact CZ-CG1 4.5Å; F833-I866 HydrophobicContact CZ-CG2 3.8Å; F833-V868 HydrophobicContact CE1-CG2 3.79Å; F833-V868 HydrophobicContact CZ-CG2 3.77Å; F833-V877 HydrophobicContact CE2-CG2 4.03Å; F833-V877 HydrophobicContact CZ-CG2 3.71Å
834G89.1Confident82.1Confident11 Ų1165.6 Ų65.611%0.11335%0.353CS..EExtended strand (participates in β ladder)trans-81.896166.500000109.1V819 A820V819-G834 WeakPolarHBondContact CG2-O 3.29Å; V819-G834 PolarHBondContact N-O 2.94Å; A820-G834 PolarHBondContact N-O 2.86Å; A820-G834 PolarHBondContact O-N 2.86Å
835T90.3Very high80.5Confident39 Ų3970.3 Ų70.324%0.23937%0.37CS..EExtended strand (participates in β ladder)trans-114.5129-175.358.20000113L807 L816 I817 C818 F833L807-T835 HydrophobicContact CD1-CG2 4.26Å; L816-T835 HydrophobicContact CB-CG2 4.35Å; I817-T835 CarbonylContact O-C 3.57Å; I817-T835 VanDerWaalsContact O-CA 3.28Å; I817-T835 WeakPolarHBondContact O-CA 3.47Å; C818-T835 HydrophobicContact CB-CG2 4.21Å; F833-T835 HydrophobicContact CB-CG2 3.8Å; F833-T835 PolarHBondContact O-N 3.02Å
836V90.1Very high78.6Confident9 Ų971.8 Ų71.86%0.05538%0.379CS..EExtended strand (participates in β ladder)trans-81.7136.4162175.40000109.3I793 F795 I817 P838I793-V836 HydrophobicContact CD1-CG1 3.86Å; I793-V836 HydrophobicContact CG2-CG1 4.04Å; F795-V836 HydrophobicContact CD1-CG2 4.29Å; F795-V836 HydrophobicContact CD2-CG2 4.16Å; F795-V836 HydrophobicContact CE1-CB 4.41Å; F795-V836 HydrophobicContact CE1-CG1 4.25Å; F795-V836 HydrophobicContact CE1-CG2 3.74Å; F795-V836 HydrophobicContact CE2-CG2 3.56Å; F795-V836 HydrophobicContact CZ-CB 4.29Å; F795-V836 HydrophobicContact CZ-CG2 3.35Å; I817-V836 HydrophobicContact CB-CB 4.4Å; I817-V836 PolarHBondContact N-O 3.26Å; I817-V836 PolarHBondContact O-N 2.98Å; V836-P838 WeakPolarHBondContact O-CD 3.48Å
837N90.6Very high76.9Confident50 Ų5072.5 Ų72.527%0.26738%0.382SS..  trans-108.5102.8-178.3-174.9-0.3000111L816 N839 A840L816-N837 HydrophobicContact CD2-CB 3.66Å; L816-N837 VanDerWaalsContact CD2-CG 3.46Å; L816-N837 WeakPolarHBondContact CD2-OD1 3.44Å; N837-N839 PolarHBondContact O-N 3.2Å; N837-N839 VanDerWaalsContact O-N 3.16Å; N837-N839 VanDerWaalsContact OD1-CB 3.26Å; N837-N839 WeakPolarHBondContact OD1-CB 3.32Å; N837-N839 PolarHBondContact OD1-N 3.37Å; N837-N839 PolarHBondContact OD1-ND2 2.93Å; N837-A840 HydrophobicContact CB-CB 4.37Å; N837-A840 PolarHBondContact O-N 3.4Å
838P91.5Very high75.3Confident2 Ų268.6 Ų68.61%0.01338%0.377CS..THydrogen-bonded Turntrans-64.4-17.5177.9-21.434.3000114L777 K791 I793 Y814 P815 I817 V836 A840L777-P838 HydrophobicContact CD2-CB 3.97Å; L777-P838 HydrophobicContact CD2-CG 4.06Å; K791-P838 HydrophobicContact CD-CB 4.42Å; K791-P838 WeakPolarHBondContact CD-O 3.47Å; K791-P838 PolarHBondContact NZ-O 3.17Å; I793-P838 HydrophobicContact CD1-CB 3.93Å; I793-P838 HydrophobicContact CD1-CG 4.01Å; Y814-P838 HydrophobicContact CD2-CB 4.33Å; Y814-P838 HydrophobicContact CG-CB 4.38Å; P815-P838 VanDerWaalsContact O-CD 3.22Å; P815-P838 WeakPolarHBondContact O-CD 3.49Å; P815-P838 WeakPolarHBondContact O-CG 3.25Å; I817-P838 HydrophobicContact CD1-CG 3.75Å; I817-P838 HydrophobicContact CG1-CG 4.1Å; V836-P838 WeakPolarHBondContact O-CD 3.48Å; P838-A840 VanDerWaalsContact C-N 3.32Å
839N90.1Very high73.7Confident53 Ų5370.2 Ų70.228%0.28339%0.386SS..THydrogen-bonded Turntrans-78.9-15.4179-49.2-87.3000112.8M813 Y814 N837M813-N839 PolarHBondContact N-OD1 3.37Å; M813-N839 VanDerWaalsContact N-OD1 3.15Å; Y814-N839 PolarHBondContact N-OD1 2.76Å; Y814-N839 PolarHBondContact O-ND2 2.98Å; N837-N839 PolarHBondContact O-N 3.2Å; N837-N839 VanDerWaalsContact O-N 3.16Å; N837-N839 VanDerWaalsContact OD1-CB 3.26Å; N837-N839 WeakPolarHBondContact OD1-CB 3.32Å; N837-N839 PolarHBondContact OD1-N 3.37Å; N837-N839 PolarHBondContact OD1-ND2 2.93Å
840A86.4Confident72.1Confident29 Ų2972.8 Ų72.824%0.2440%0.398CS..  trans-83150.7179.200000112.6K791 N837 P838 S842K791-A840 PolarHBondContact NZ-O 3.09Å; N837-A840 HydrophobicContact CB-CB 4.37Å; N837-A840 PolarHBondContact O-N 3.4Å; P838-A840 VanDerWaalsContact C-N 3.32Å; A840-S842 WeakPolarHBondContact CB-O 3.39Å
841T69.3Low70.5Confident152 Ų15276 Ų7693%0.93342%0.42SS*.SBendtrans-86.6-25.9173.848.10000112.9
842S62.2Low69.1Low80 Ų8079.1 Ų79.156%0.55944%0.435SS*.  trans-109.8131.6166.651.70000109.8A840A840-S842 WeakPolarHBondContact CB-O 3.39Å
843S52.7Low68Low41 Ų4177.6 Ų77.629%0.28743%0.434SS..  trans-12648.7-178.2-57.60000111.1
844W51.6Low67Low238 Ų23881.4 Ų81.490%0.90246%0.462SS*.PPolyproline II helixtrans-96.2118.1173.5-87.2-66.2000111.7
845F51.3Low66.8Low114 Ų11481.4 Ų81.450%0.546%0.459SS..PPolyproline II helixtrans-76.3125.6158.9-116.6-97.1000109
846T43.3Very low66.6Low119 Ų11982.2 Ų82.273%0.7346%0.462SS*.PPolyproline II helixtrans-94.6151.6150.345.40000108.4
847E50.1Low66.5Low111 Ų11183.3 Ų83.352%0.51947%0.466SS..  trans81.584.4-174-50.2177.5160.200114.4R832R832-E847 IonicContact CZ-OE2 3.95Å; R832-E847 IonicContact NH1-OE2 3.25Å; R832-E847 IonicContact NH2-OE2 3.68Å; R832-E847 PolarHBondContact NH2-OE2 2.72Å
848A44Very low66.6Low103 Ų10381 Ų8185%0.85145%0.454SS*.  trans-88.6-11.517200000114M850A848-M850 PolarHBondContact O-N 2.97Å
849D47.4Very low66.5Low156 Ų15682.1 Ų82.183%0.83446%0.461SS*.  trans-100.246.3-172.1-72-38.5000113.5
850M55.1Low66.6Low81 Ų8181.7 Ų81.740%0.39946%0.457SS..  trans-101.4113.5176.3-74.9-69174.800111A848 Q852A848-M850 PolarHBondContact O-N 2.97Å; M850-Q852 PolarHBondContact O-N 3.17Å; M850-Q852 VanDerWaalsContact O-N 3.15Å
851P55.3Low66.6Low109 Ų10983 Ų8371%0.70846%0.46SS*.PPolyproline II helixtrans-63.1119.6174.925.7-32.5000109.4T853P851-T853 PolarHBondContact O-N 3.33Å
852Q61.8Low67.3Low68 Ų6880.8 Ų80.832%0.31844%0.439SS..BIsolated β-bridgetrans-62.3134.4175.1-67.6-1760.100109.2P798 M850P798-Q852 VanDerWaalsContact CB-NE2 3.34Å; M850-Q852 PolarHBondContact O-N 3.17Å; M850-Q852 VanDerWaalsContact O-N 3.15Å
853T65.1Low68.4Low44 Ų4484 Ų8427%0.2744%0.439SS..PPolyproline II helixtrans-71.4150165.340.80000109.1V821 K823 P851 V855V821-T853 PolarHBondContact O-N 3.34Å; V821-T853 PolarHBondContact O-OG1 3.01Å; V821-T853 VanDerWaalsContact O-OG1 3.05Å; K823-T853 HydrophobicContact CB-CG2 4.02Å; P851-T853 PolarHBondContact O-N 3.33Å; T853-V855 WeakPolarHBondContact O-CG2 2.98Å; T853-V855 PolarHBondContact O-N 3.48Å; T853-V855 WeakPolarHBondContact OG1-CG2 3.3Å
854C70.8Confident70Confident101 Ų10184.3 Ų84.368%0.68244%0.437SS*.  trans-65.977.8176.9-550000111.2L870 D871C854-L870 WeakPolarHBondContact O-CA 3.44Å; C854-D871 PolarHBondContact O-N 3.24Å
855V84.3Confident71.8Confident10 Ų1073 Ų736%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-101.9115.1-175.5175.40000107.5V803 V821 T853 V858 V868 C869 L870V803-V855 HydrophobicContact CG2-CB 4.16Å; V803-V855 HydrophobicContact CG2-CG1 3.74Å; V821-V855 HydrophobicContact CB-CB 4.36Å; V821-V855 HydrophobicContact CB-CG1 4.25Å; V821-V855 HydrophobicContact CB-CG2 3.74Å; V821-V855 HydrophobicContact CG1-CG2 3.7Å; V821-V855 HydrophobicContact CG2-CG1 4.41Å; T853-V855 WeakPolarHBondContact O-CG2 2.98Å; T853-V855 PolarHBondContact O-N 3.48Å; T853-V855 WeakPolarHBondContact OG1-CG2 3.3Å; V855-V858 HydrophobicContact CG1-CG2 3.81Å; V855-V868 HydrophobicContact CG1-CG1 3.97Å; V855-V868 HydrophobicContact CG2-CG1 4.34Å; V855-C869 CarbonylContact C-O 3.58Å; V855-C869 WeakPolarHBondContact CA-O 3.45Å; V855-L870 HydrophobicContact CB-CD2 4.26Å; V855-L870 HydrophobicContact CG2-CD2 3.42Å; V855-L870 VanDerWaalsContact CG2-CD2 3.42Å
856I85.5Confident73.8Confident56 Ų5667.6 Ų67.629%0.28737%0.371SS..EExtended strand (participates in β ladder)trans-83.5-39.4-177.1-62.9152000110.1C869 I899 E900I856-C869 HydrophobicContact CB-CB 4.38Å; I856-C869 PolarHBondContact N-O 2.69Å; I856-I899 HydrophobicContact CD1-CB 3.85Å; I856-I899 HydrophobicContact CD1-CG2 4.33Å; I856-I899 WeakPolarHBondContact CD1-O 3.44Å; I856-E900 WeakPolarHBondContact CG2-O 3.37Å
857H88.8Confident76.2Confident32 Ų3261.9 Ų61.915%0.14834%0.336CS..EExtended strand (participates in β ladder)trans-155.1149-172.4-160.652.6000113.6E805 T859 C869 I902 R945E805-H857 IonicContact OE1-CE1 3.39Å; E805-H857 PolarHBondContact OE1-CE1 3.41Å; E805-H857 IonicContact OE1-NE2 2.67Å; H857-T859 PolarHBondContact NE2-OG1 3.01Å; H857-C869 HydrophobicContact CB-CB 3.87Å; H857-C869 PolarHBondContact O-N 3.39Å; H857-I902 HydrophobicContact CB-CD1 4.1Å; H857-I902 HydrophobicContact CB-CG1 3.84Å; H857-R945 PolarHBondContact CE1-NH2 3.06Å; H857-R945 PolarHBondContact NE2-NH2 3.25Å
858V91.6Very high78.3Confident1 Ų156.6 Ų56.61%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-132.5135.1174-178.90000109.4V803 E805 V821 F833 V855 I866 L867V803-V858 HydrophobicContact CG1-CB 4.27Å; V803-V858 HydrophobicContact CG1-CG2 3.77Å; V803-V858 HydrophobicContact CG2-CG2 4.24Å; E805-V858 HydrophobicContact CG-CB 4.35Å; E805-V858 WeakPolarHBondContact CG-O 3.46Å; V821-V858 HydrophobicContact CG2-CG2 3.93Å; F833-V858 HydrophobicContact CE1-CG1 4.17Å; V855-V858 HydrophobicContact CG1-CG2 3.81Å; V858-I866 HydrophobicContact CG1-CG2 3.64Å; V858-L867 WeakPolarHBondContact CA-O 3.44Å
859T91Very high80.6Confident26 Ų2651.7 Ų51.716%0.1627%0.271CS..EExtended strand (participates in β ladder)trans-152.6131.7175-84.70000111.4H857 L861 L867H857-T859 PolarHBondContact NE2-OG1 3.01Å; T859-L861 HydrophobicContact CG2-CD2 4.17Å; T859-L867 PolarHBondContact N-O 3.03Å; T859-L867 PolarHBondContact O-N 3.18Å
860Q91.1Very high82.7Confident44 Ų4445.7 Ų45.721%0.20624%0.238CC..EExtended strand (participates in β ladder)trans-77.7121.2171.8-168.817311.800109.4L807 V808 E862 R863 I866L807-Q860 HydrophobicContact CD2-CB 4.32Å; V808-Q860 PolarHBondContact O-NE2 3.08Å; Q860-E862 WeakPolarHBondContact CG-O 3.34Å; Q860-E862 PolarHBondContact NE2-O 3.03Å; Q860-R863 PolarHBondContact NE2-O 3.03Å; Q860-I866 HydrophobicContact CB-CG1 4.48Å; Q860-I866 HydrophobicContact CG-CG1 4.4Å
861L86.2Confident84.2Confident56 Ų5644.5 Ų44.529%0.29323%0.234SC..EExtended strand (participates in β ladder)trans-90.3-40.3177.7-60179.3000111.5T859 T865 L867 I876 C904 F922T859-L861 HydrophobicContact CG2-CD2 4.17Å; L861-T865 HydrophobicContact CB-CG2 4.29Å; L861-T865 HydrophobicContact CD1-CG2 4.38Å; L861-T865 PolarHBondContact N-O 3.46Å; L861-L867 HydrophobicContact CD1-CB 4.01Å; L861-L867 HydrophobicContact CD1-CD1 4.13Å; L861-L867 HydrophobicContact CD2-CB 4.4Å; L861-L867 HydrophobicContact CD2-CD1 4.42Å; L861-L867 HydrophobicContact CG-CB 4.05Å; L861-I876 HydrophobicContact CD1-CD1 4.46Å; L861-C904 HydrophobicContact CD2-CB 3.95Å; L861-F922 HydrophobicContact CD1-CZ 4.23Å
862E84.3Confident85.9Confident107 Ų10745.2 Ų45.250%0.522%0.222SC..EExtended strand (participates in β ladder)trans-142.7176.6-179.8-49.3175.4147.800110.4Q860 D864 T865Q860-E862 WeakPolarHBondContact CG-O 3.34Å; Q860-E862 PolarHBondContact NE2-O 3.03Å; E862-D864 PolarHBondContact O-N 3.32Å; E862-T865 PolarHBondContact N-O 3.29Å; E862-T865 PolarHBondContact O-N 3.45Å; E862-T865 VanDerWaalsContact O-N 3.13Å; E862-T865 PolarHBondContact OE2-OG1 3.38Å
863R85.1Confident87.3Confident146 Ų14642.9 Ų42.955%0.55121%0.213SC*.THydrogen-bonded Turntrans-35.9-49.9177.7174.3168.4-73.6163.7-8.7115Y761 P810 Q860Y761-R863 VanDerWaalsContact OH-CA 3.26Å; Y761-R863 WeakPolarHBondContact OH-CA 3.3Å; Y761-R863 WeakPolarHBondContact OH-CB 3.38Å; Y761-R863 VanDerWaalsContact OH-CG 3.3Å; Y761-R863 WeakPolarHBondContact OH-CG 3.49Å; Y761-R863 PolarHBondContact OH-NE 3.27Å; P810-R863 HydrophobicContact CG-CG 3.65Å; Q860-R863 PolarHBondContact NE2-O 3.03Å
864D86.6Confident88.7Confident49 Ų4940.8 Ų40.826%0.26220%0.201SC..THydrogen-bonded Turntrans-134.643.5-178.3-17947.6000110.2E862 N878 L879 K884E862-D864 PolarHBondContact O-N 3.32Å; D864-N878 WeakPolarHBondContact OD1-CB 3.39Å; D864-N878 WeakPolarHBondContact OD2-CB 3.37Å; D864-L879 WeakPolarHBondContact OD1-CB 3.46Å; D864-L879 WeakPolarHBondContact OD1-CG 3.29Å; D864-L879 PolarHBondContact OD1-N 3.2Å; D864-K884 WeakPolarHBondContact O-CD 3.44Å; D864-K884 PolarHBondContact O-NZ 3.39Å; D864-K884 IonicContact OD2-NZ 3.91Å
865T90.1Very high89.7Confident0 Ų038 Ų380%018%0.177CC..EExtended strand (participates in β ladder)trans-139.4106.7-178.2-52.20000108.4L861 E862 I876 V877 K884 L889L861-T865 HydrophobicContact CB-CG2 4.29Å; L861-T865 HydrophobicContact CD1-CG2 4.38Å; L861-T865 PolarHBondContact N-O 3.46Å; E862-T865 PolarHBondContact N-O 3.29Å; E862-T865 PolarHBondContact O-N 3.45Å; E862-T865 VanDerWaalsContact O-N 3.13Å; E862-T865 PolarHBondContact OE2-OG1 3.38Å; T865-I876 HydrophobicContact CG2-CG2 3.49Å; T865-I876 VanDerWaalsContact CG2-CG2 3.49Å; T865-V877 CarbonylContact C-O 3.51Å; T865-V877 WeakPolarHBondContact CA-O 2.91Å; T865-K884 HydrophobicContact CG2-CD 4.43Å; T865-K884 PolarHBondContact OG1-NZ 2.81Å; T865-L889 HydrophobicContact CG2-CD1 4.1Å
866I92.4Very high90.1Very high0 Ų037.5 Ų37.50%017%0.174CC..EExtended strand (participates in β ladder)trans-110.4132.8176.8-58.7170.3000108.7L807 F833 V858 Q860 V868 I876 V877 L879L807-I866 HydrophobicContact CD1-CD1 3.8Å; L807-I866 HydrophobicContact CD2-CD1 3.78Å; L807-I866 HydrophobicContact CD2-CG1 4.18Å; L807-I866 HydrophobicContact CG-CD1 4.37Å; F833-I866 HydrophobicContact CD2-CD1 4.45Å; F833-I866 HydrophobicContact CE1-CD1 4.24Å; F833-I866 HydrophobicContact CE1-CG2 4.09Å; F833-I866 HydrophobicContact CE2-CD1 3.74Å; F833-I866 HydrophobicContact CZ-CB 4.13Å; F833-I866 HydrophobicContact CZ-CD1 3.63Å; F833-I866 HydrophobicContact CZ-CG1 4.5Å; F833-I866 HydrophobicContact CZ-CG2 3.8Å; V858-I866 HydrophobicContact CG1-CG2 3.64Å; Q860-I866 HydrophobicContact CB-CG1 4.48Å; Q860-I866 HydrophobicContact CG-CG1 4.4Å; I866-V868 HydrophobicContact CG2-CG2 3.98Å; I866-I876 WeakPolarHBondContact O-CA 3.21Å; I866-V877 HydrophobicContact CB-CG2 4.07Å; I866-V877 PolarHBondContact N-O 3.17Å; I866-V877 PolarHBondContact O-N 2.9Å; I866-L879 HydrophobicContact CD1-CD2 3.99Å
867L93.7Very high90.5Very high0 Ų034.8 Ų34.80%016%0.16CC..EExtended strand (participates in β ladder)trans-92.2123.4167.4-172.2157.5000108.7V858 T859 L861 I874 I902 F922V858-L867 WeakPolarHBondContact CA-O 3.44Å; T859-L867 PolarHBondContact N-O 3.03Å; T859-L867 PolarHBondContact O-N 3.18Å; L861-L867 HydrophobicContact CD1-CB 4.01Å; L861-L867 HydrophobicContact CD1-CD1 4.13Å; L861-L867 HydrophobicContact CD2-CB 4.4Å; L861-L867 HydrophobicContact CD2-CD1 4.42Å; L861-L867 HydrophobicContact CG-CB 4.05Å; L867-I874 HydrophobicContact CD1-CG2 3.75Å; L867-I874 HydrophobicContact CD2-CG2 3.5Å; L867-I874 VanDerWaalsContact CD2-CG2 3.5Å; L867-I874 HydrophobicContact CG-CG2 3.37Å; L867-I902 HydrophobicContact CD2-CD1 3.26Å; L867-F922 HydrophobicContact CD1-CE1 3.58Å; L867-F922 HydrophobicContact CD1-CZ 3.8Å
868V93.7Very high90.7Very high0 Ų034.6 Ų34.60%016%0.16CC..EExtended strand (participates in β ladder)trans-115117.5173.5-178.50000108.9V821 V831 F833 V855 I866 L870 I874 K875 V877V821-V868 HydrophobicContact CG1-CG1 4.33Å; V831-V868 HydrophobicContact CG1-CG1 4.46Å; V831-V868 HydrophobicContact CG2-CG2 4.37Å; F833-V868 HydrophobicContact CE1-CG2 3.79Å; F833-V868 HydrophobicContact CZ-CG2 3.77Å; V855-V868 HydrophobicContact CG1-CG1 3.97Å; V855-V868 HydrophobicContact CG2-CG1 4.34Å; I866-V868 HydrophobicContact CG2-CG2 3.98Å; V868-L870 HydrophobicContact CG1-CD2 4.05Å; V868-I874 WeakPolarHBondContact O-CA 3.22Å; V868-K875 PolarHBondContact N-O 3.39Å; V868-K875 PolarHBondContact O-N 3.39Å; V868-V877 HydrophobicContact CG2-CG2 3.99Å
869C93.2Very high90.6Very high0 Ų036.1 Ų36.10%017%0.168CC..EExtended strand (participates in β ladder)trans-91.6123.9177-166.90000110.3V855 I856 H857 I874 I902V855-C869 CarbonylContact C-O 3.58Å; V855-C869 WeakPolarHBondContact CA-O 3.45Å; I856-C869 HydrophobicContact CB-CB 4.38Å; I856-C869 PolarHBondContact N-O 2.69Å; H857-C869 HydrophobicContact CB-CB 3.87Å; H857-C869 PolarHBondContact O-N 3.39Å; C869-I874 HydrophobicContact CB-CG1 4.33Å; C869-I902 HydrophobicContact CB-CD1 3.85Å; C869-I902 HydrophobicContact CB-CG1 4.41Å; C869-I902 HydrophobicContact CB-CG2 4.44Å; C869-I902 VanDerWaalsContact SG-CG2 3.57Å
870L90.6Very high90.6Very high30 Ų3039.8 Ų39.816%0.15718%0.183CC..EExtended strand (participates in β ladder)trans-115168.5174.6-54177000109.3C854 V855 V868 R872 C873 K875C854-L870 WeakPolarHBondContact O-CA 3.44Å; V855-L870 HydrophobicContact CB-CD2 4.26Å; V855-L870 HydrophobicContact CG2-CD2 3.42Å; V855-L870 VanDerWaalsContact CG2-CD2 3.42Å; V868-L870 HydrophobicContact CG1-CD2 4.05Å; L870-R872 VanDerWaalsContact C-N 3.27Å; L870-R872 PolarHBondContact O-N 3.24Å; L870-C873 CarbonylContact C-O 3.49Å; L870-C873 WeakPolarHBondContact CA-O 3.46Å; L870-C873 WeakPolarHBondContact CB-O 3.49Å; L870-C873 PolarHBondContact N-O 2.9Å; L870-C873 PolarHBondContact O-N 3.28Å; L870-C873 VanDerWaalsContact O-O 3.07Å; L870-K875 HydrophobicContact CD1-CD 4.02Å; L870-K875 HydrophobicContact CD1-CG 4.39Å
871D87.4Confident90.5Very high56 Ų5637.7 Ų37.730%0.29917%0.174SC..THydrogen-bonded Turntrans-34.9-48.9-174-166.465.9000116.2C854 Q898 I899C854-D871 PolarHBondContact O-N 3.24Å; D871-Q898 CarbonylContact O-C 3.57Å; D871-Q898 WeakPolarHBondContact O-CA 3.48Å; D871-Q898 WeakPolarHBondContact OD1-CG 3.27Å; D871-Q898 PolarHBondContact OD1-NE2 2.79Å; D871-I899 PolarHBondContact O-N 2.91Å
872R91.3Very high90.8Very high123 Ų12340 Ų4046%0.46418%0.178SC..THydrogen-bonded Turntrans-133.311.4-179.8-52.4-161.2179.3-144.1-1.6114.7L870 F895 N896 F897L870-R872 VanDerWaalsContact C-N 3.27Å; L870-R872 PolarHBondContact O-N 3.24Å; R872-F895 PolarHBondContact O-N 3.34Å; R872-N896 PolarHBondContact NH1-O 3.2Å; R872-F897 WeakPolarHBondContact CG-O 3.44Å
873C91.6Very high91.1Very high20 Ų2038.4 Ų38.414%0.13517%0.173CC..EExtended strand (participates in β ladder)trans-149.6155.8178.170.90000112.7L870 E892 L893 T894L870-C873 CarbonylContact C-O 3.49Å; L870-C873 WeakPolarHBondContact CA-O 3.46Å; L870-C873 WeakPolarHBondContact CB-O 3.49Å; L870-C873 PolarHBondContact N-O 2.9Å; L870-C873 PolarHBondContact O-N 3.28Å; L870-C873 VanDerWaalsContact O-O 3.07Å; C873-E892 HydrophobicContact CB-CG 4.3Å; C873-E892 PolarHBondContact SG-OE1 2.74Å; C873-L893 CarbonylContact C-O 3.55Å; C873-L893 WeakPolarHBondContact CA-O 3.46Å; C873-L893 WeakPolarHBondContact CB-O 3.26Å; C873-T894 HydrophobicContact CB-CG2 4.15Å
874I93.7Very high91.1Very high0 Ų034.4 Ų34.40%016%0.16CC..EExtended strand (participates in β ladder)trans-113.8126.9174.7-68.1172.1000107.2L867 V868 C869 E892 L893 F895 I899 I902 V909L867-I874 HydrophobicContact CD1-CG2 3.75Å; L867-I874 HydrophobicContact CD2-CG2 3.5Å; L867-I874 VanDerWaalsContact CD2-CG2 3.5Å; L867-I874 HydrophobicContact CG-CG2 3.37Å; V868-I874 WeakPolarHBondContact O-CA 3.22Å; C869-I874 HydrophobicContact CB-CG1 4.33Å; I874-E892 CarbonylContact O-C 3.33Å; I874-E892 VanDerWaalsContact O-CA 3.29Å; I874-E892 WeakPolarHBondContact O-CA 3.44Å; I874-L893 HydrophobicContact CB-CB 4.3Å; I874-L893 PolarHBondContact N-O 2.95Å; I874-L893 PolarHBondContact O-N 3.29Å; I874-F895 HydrophobicContact CD1-CE2 3.72Å; I874-F895 HydrophobicContact CD1-CZ 3.99Å; I874-F895 HydrophobicContact CG1-CE2 3.99Å; I874-I899 HydrophobicContact CG1-CD1 4.21Å; I874-I902 HydrophobicContact CD1-CG2 4.1Å; I874-V909 HydrophobicContact CD1-CB 4.4Å; I874-V909 HydrophobicContact CD1-CG1 3.72Å; I874-V909 HydrophobicContact CD1-CG2 3.85Å
875K92.2Very high90.5Very high41 Ų4136.6 Ų36.618%0.17818%0.179CC..EExtended strand (participates in β ladder)trans-108.4129.5176.6-63.8-168.9173.5-164.90110V830 V868 L870 V877 L883 E892V830-K875 HydrophobicContact CB-CD 4.46Å; V830-K875 HydrophobicContact CG2-CD 4.3Å; V868-K875 PolarHBondContact N-O 3.39Å; V868-K875 PolarHBondContact O-N 3.39Å; L870-K875 HydrophobicContact CD1-CD 4.02Å; L870-K875 HydrophobicContact CD1-CG 4.39Å; K875-V877 HydrophobicContact CB-CG1 4.29Å; K875-L883 HydrophobicContact CB-CD2 4.15Å; K875-L883 HydrophobicContact CD-CD2 4.42Å; K875-L883 HydrophobicContact CG-CD2 4.46Å; K875-E892 VanDerWaalsContact CE-CD 3.49Å; K875-E892 WeakPolarHBondContact CE-OE1 3.44Å; K875-E892 HydrophobicContact CG-CG 4.34Å; K875-E892 IonicContact NZ-OE1 3.32Å; K875-E892 IonicContact NZ-OE2 3.75Å
876I93Very high89.7Confident0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-97.6117.3172.6-56.3-167.8000107.9L861 T865 I866 K884 S890 A891 F922L861-I876 HydrophobicContact CD1-CD1 4.46Å; T865-I876 HydrophobicContact CG2-CG2 3.49Å; T865-I876 VanDerWaalsContact CG2-CG2 3.49Å; I866-I876 WeakPolarHBondContact O-CA 3.21Å; I876-K884 PolarHBondContact O-N 3.31Å; I876-S890 WeakPolarHBondContact CD1-O 3.3Å; I876-A891 PolarHBondContact N-O 3.29Å; I876-F922 HydrophobicContact CD1-CD1 3.89Å; I876-F922 HydrophobicContact CD1-CE1 4.34Å
877V93.6Very high88.5Confident0 Ų051.3 Ų51.30%024%0.243CC..EExtended strand (participates in β ladder)trans-130.8164.8-172.3-600000111.5V830 V831 F833 T865 I866 V868 K875 R882 L883V830-V877 HydrophobicContact CG2-CG1 3.49Å; V830-V877 VanDerWaalsContact CG2-CG1 3.49Å; V831-V877 HydrophobicContact CG2-CG1 4.2Å; V831-V877 HydrophobicContact CG2-CG2 4.04Å; F833-V877 HydrophobicContact CE2-CG2 4.03Å; F833-V877 HydrophobicContact CZ-CG2 3.71Å; T865-V877 CarbonylContact C-O 3.51Å; T865-V877 WeakPolarHBondContact CA-O 2.91Å; I866-V877 HydrophobicContact CB-CG2 4.07Å; I866-V877 PolarHBondContact N-O 3.17Å; I866-V877 PolarHBondContact O-N 2.9Å; V868-V877 HydrophobicContact CG2-CG2 3.99Å; K875-V877 HydrophobicContact CB-CG1 4.29Å; V877-R882 CarbonylContact C-O 3.46Å; V877-R882 WeakPolarHBondContact CA-O 3.29Å; V877-R882 WeakPolarHBondContact CB-O 3.42Å; V877-L883 HydrophobicContact CG1-CD2 4.12Å
878N92.4Very high87.3Confident27 Ų2759.2 Ų59.214%0.14428%0.278CS..  trans-86.4179.3170.277.4-9.4000111.9D864 Q880 G881 R882D864-N878 WeakPolarHBondContact OD1-CB 3.39Å; D864-N878 WeakPolarHBondContact OD2-CB 3.37Å; N878-Q880 VanDerWaalsContact CG-OE1 3.26Å; N878-Q880 PolarHBondContact ND2-OE1 3.44Å; N878-Q880 PolarHBondContact O-N 2.8Å; N878-Q880 VanDerWaalsContact O-N 3.16Å; N878-Q880 WeakPolarHBondContact OD1-CA 3.4Å; N878-Q880 PolarHBondContact OD1-N 3.49Å; N878-Q880 VanDerWaalsContact OD1-N 3.12Å; N878-G881 PolarHBondContact O-N 3.49Å; N878-G881 PolarHBondContact OD1-N 2.9Å; N878-R882 PolarHBondContact N-O 3.01Å; N878-R882 PolarHBondContact OD1-N 3.26Å; N878-R882 PolarHBondContact OD1-O 2.93Å
879L89.7Confident86.5Confident34 Ų3460.4 Ų60.418%0.17828%0.284CS..THydrogen-bonded Turntrans-59-24.8178.3-75.6163.6000113.5L807 V809 D864 I866 G881L807-L879 HydrophobicContact CB-CD2 4.42Å; V809-L879 HydrophobicContact CG2-CD1 4.21Å; V809-L879 HydrophobicContact CG2-CD2 4.2Å; D864-L879 WeakPolarHBondContact OD1-CB 3.46Å; D864-L879 WeakPolarHBondContact OD1-CG 3.29Å; D864-L879 PolarHBondContact OD1-N 3.2Å; I866-L879 HydrophobicContact CD1-CD2 3.99Å; L879-G881 VanDerWaalsContact C-N 3.34Å
880Q89.8Confident85.9Confident103 Ų10362.2 Ų62.248%0.48130%0.297SS..THydrogen-bonded Turntrans-88.72175.2-58.277.331.900113.2Q829 N878Q829-Q880 PolarHBondContact NE2-O 3.06Å; N878-Q880 VanDerWaalsContact CG-OE1 3.26Å; N878-Q880 PolarHBondContact ND2-OE1 3.44Å; N878-Q880 PolarHBondContact O-N 2.8Å; N878-Q880 VanDerWaalsContact O-N 3.16Å; N878-Q880 WeakPolarHBondContact OD1-CA 3.4Å; N878-Q880 PolarHBondContact OD1-N 3.49Å; N878-Q880 VanDerWaalsContact OD1-N 3.12Å
881G90.8Very high85.6Confident0 Ų061.6 Ų61.60%030%0.296CS..SBendtrans75.721.4177.200000115.1V830 V831 N878 L879V830-G881 VanDerWaalsContact CG2-O 3.31Å; V830-G881 WeakPolarHBondContact CG2-O 3.25Å; V830-G881 PolarHBondContact N-O 3.02Å; V831-G881 PolarHBondContact N-O 3.29Å; V831-G881 VanDerWaalsContact O-CA 3.31Å; V831-G881 WeakPolarHBondContact O-CA 3.29Å; N878-G881 PolarHBondContact O-N 3.49Å; N878-G881 PolarHBondContact OD1-N 2.9Å; L879-G881 VanDerWaalsContact C-N 3.34Å
882R92.1Very high85.7Confident103 Ų10362 Ų6239%0.38930%0.296SS..BIsolated β-bridgetrans-91.3142.4172-54.6-171174.5162.4-0.9109.8E826 N828 Q829 V877 N878E826-R882 IonicContact OE2-CZ 3.53Å; E826-R882 IonicContact OE2-NE 3.54Å; E826-R882 IonicContact OE2-NH2 2.69Å; E826-R882 PolarHBondContact OE2-NH2 3.19Å; N828-R882 WeakPolarHBondContact O-CA 3.36Å; N828-R882 WeakPolarHBondContact O-CB 3.1Å; N828-R882 WeakPolarHBondContact O-CG 3.46Å; Q829-R882 HydrophobicContact CB-CG 4.43Å; V877-R882 CarbonylContact C-O 3.46Å; V877-R882 WeakPolarHBondContact CA-O 3.29Å; V877-R882 WeakPolarHBondContact CB-O 3.42Å; N878-R882 PolarHBondContact N-O 3.01Å; N878-R882 PolarHBondContact OD1-N 3.26Å; N878-R882 PolarHBondContact OD1-O 2.93Å
883L89.9Confident85.7Confident74 Ų7456.2 Ų56.239%0.38727%0.274SS..BIsolated β-bridgetrans-59.8137.7-178.7-74.4173.1000111.8V830 K875 V877 A891V830-L883 HydrophobicContact CB-CG 4.37Å; V830-L883 HydrophobicContact CG1-CD1 3.83Å; V830-L883 HydrophobicContact CG1-CD2 4.35Å; V830-L883 HydrophobicContact CG1-CG 3.69Å; V830-L883 HydrophobicContact CG2-CD2 3.8Å; V830-L883 HydrophobicContact CG2-CG 3.77Å; K875-L883 HydrophobicContact CB-CD2 4.15Å; K875-L883 HydrophobicContact CD-CD2 4.42Å; K875-L883 HydrophobicContact CG-CD2 4.46Å; V877-L883 HydrophobicContact CG1-CD2 4.12Å; L883-A891 HydrophobicContact CB-CB 4.23Å; L883-A891 HydrophobicContact CD2-CB 4.22Å
884K85.9Confident85.7Confident63 Ų6358.8 Ų58.827%0.27429%0.29SS..  trans-11792.2179.1-166.9175.6-174177.40110D864 T865 I876D864-K884 WeakPolarHBondContact O-CD 3.44Å; D864-K884 PolarHBondContact O-NZ 3.39Å; D864-K884 IonicContact OD2-NZ 3.91Å; T865-K884 HydrophobicContact CG2-CD 4.43Å; T865-K884 PolarHBondContact OG1-NZ 2.81Å; I876-K884 PolarHBondContact O-N 3.31Å
885S73.1Confident85.7Confident95 Ų9559.4 Ų59.466%0.66429%0.292SS*.  trans-88.5144.8168.9550000110.8
886S73.4Confident85.6Confident61 Ų6163.2 Ų63.243%0.42732%0.315SS..BIsolated β-bridgetrans-152.7168.8167.874.90000110.7K888 L889S886-K888 PolarHBondContact O-N 3.05Å; S886-K888 PolarHBondContact OG-N 3.16Å; S886-K888 VanDerWaalsContact OG-N 3.15Å; S886-L889 PolarHBondContact N-O 3.41Å; S886-L889 PolarHBondContact O-N 3.17Å; S886-L889 VanDerWaalsContact O-N 3.13Å; S886-L889 PolarHBondContact OG-N 2.9Å; S886-L889 VanDerWaalsContact OG-N 3.13Å
887R67.4Low85.6Confident247 Ų24764 Ų6493%0.93232%0.318SS*.THydrogen-bonded Turntrans-59.6-8.4170.9-66.3-174.6-179.7178.80.8114
888K68.7Low85.6Confident166 Ų16669.1 Ų69.172%0.72234%0.342SS*.THydrogen-bonded Turntrans-108.2-20.1178.2-59.1-173.8179.9-178.30113.6S886 K923S886-K888 PolarHBondContact O-N 3.05Å; S886-K888 PolarHBondContact OG-N 3.16Å; S886-K888 VanDerWaalsContact OG-N 3.15Å; K888-K923 WeakPolarHBondContact O-CA 3.4Å
889L76.8Confident85.7Confident26 Ų2668 Ų6814%0.13634%0.336CS..BIsolated β-bridgetrans-141.7122-170.6-63.3173.4000111.1T865 S886 F922T865-L889 HydrophobicContact CG2-CD1 4.1Å; S886-L889 PolarHBondContact N-O 3.41Å; S886-L889 PolarHBondContact O-N 3.17Å; S886-L889 VanDerWaalsContact O-N 3.13Å; S886-L889 PolarHBondContact OG-N 2.9Å; S886-L889 VanDerWaalsContact OG-N 3.13Å; L889-F922 HydrophobicContact CD2-CB 3.72Å; L889-F922 HydrophobicContact CD2-CG 4.32Å
890S80.9Confident85.9Confident37 Ų3770.6 Ų70.626%0.25935%0.347SS..  trans-66.9132.2165.3-172.80000109.8I876 E892 F922I876-S890 WeakPolarHBondContact CD1-O 3.3Å; S890-E892 VanDerWaalsContact C-N 3.26Å; S890-E892 PolarHBondContact O-N 3.08Å; S890-E892 PolarHBondContact OG-O 3.24Å; S890-F922 WeakPolarHBondContact CB-O 3.46Å; S890-F922 PolarHBondContact N-O 3.37Å
891A83.1Confident86Confident18 Ų1866.8 Ų66.815%0.14933%0.333CS..SBendtrans-70.4-23.3178.800000113.2I876 L883I876-A891 PolarHBondContact N-O 3.29Å; L883-A891 HydrophobicContact CB-CB 4.23Å; L883-A891 HydrophobicContact CD2-CB 4.22Å
892E89.8Confident86.1Confident65 Ų6567.3 Ų67.330%0.30434%0.336SS..EExtended strand (participates in β ladder)trans-142.2140.9178.4-170.3156.7-163.900110.8C873 I874 K875 S890 T894C873-E892 HydrophobicContact CB-CG 4.3Å; C873-E892 PolarHBondContact SG-OE1 2.74Å; I874-E892 CarbonylContact O-C 3.33Å; I874-E892 VanDerWaalsContact O-CA 3.29Å; I874-E892 WeakPolarHBondContact O-CA 3.44Å; K875-E892 VanDerWaalsContact CE-CD 3.49Å; K875-E892 WeakPolarHBondContact CE-OE1 3.44Å; K875-E892 HydrophobicContact CG-CG 4.34Å; K875-E892 IonicContact NZ-OE1 3.32Å; K875-E892 IonicContact NZ-OE2 3.75Å; S890-E892 VanDerWaalsContact C-N 3.26Å; S890-E892 PolarHBondContact O-N 3.08Å; S890-E892 PolarHBondContact OG-O 3.24Å; E892-T894 HydrophobicContact CG-CG2 4.2Å
893L91.6Very high86Confident0 Ų062.4 Ų62.40%032%0.318CS..EExtended strand (participates in β ladder)trans-123.5127.4171.4-52.5174.1000107.7C873 I874 F895 V909 F922 N925C873-L893 CarbonylContact C-O 3.55Å; C873-L893 WeakPolarHBondContact CA-O 3.46Å; C873-L893 WeakPolarHBondContact CB-O 3.26Å; I874-L893 HydrophobicContact CB-CB 4.3Å; I874-L893 PolarHBondContact N-O 2.95Å; I874-L893 PolarHBondContact O-N 3.29Å; L893-F895 HydrophobicContact CB-CE2 4.15Å; L893-V909 HydrophobicContact CD1-CG1 3.56Å; L893-F922 HydrophobicContact CD1-CD1 3.93Å; L893-F922 HydrophobicContact CD1-CE1 4.23Å; L893-N925 HydrophobicContact CD2-CB 3.65Å; L893-N925 VanDerWaalsContact CD2-OD1 3.27Å; L893-N925 WeakPolarHBondContact CD2-OD1 3.37Å
894T91.5Very high85.9Confident75 Ų7559.6 Ų59.646%0.4630%0.304SS..EExtended strand (participates in β ladder)trans-114141.7-174.152.60000111.5C873 E892 R920C873-T894 HydrophobicContact CB-CG2 4.15Å; E892-T894 HydrophobicContact CG-CG2 4.2Å; T894-R920 PolarHBondContact O-NE 3.47Å; T894-R920 PolarHBondContact O-NH1 3.19Å; T894-R920 PolarHBondContact O-NH2 2.77Å
895F93.1Very high85.7Confident12 Ų1257.2 Ų57.25%0.05329%0.294CS..  trans-123145.7-178-59.8-95.8000109.6R872 I874 L893 F897 I899 A911 Q918 R920R872-F895 PolarHBondContact O-N 3.34Å; I874-F895 HydrophobicContact CD1-CE2 3.72Å; I874-F895 HydrophobicContact CD1-CZ 3.99Å; I874-F895 HydrophobicContact CG1-CE2 3.99Å; L893-F895 HydrophobicContact CB-CE2 4.15Å; F895-F897 VanDerWaalsContact C-N 3.31Å; F895-F897 HydrophobicContact CB-CD2 4.27Å; F895-F897 HydrophobicContact CB-CE1 4.37Å; F895-F897 HydrophobicContact CB-CE2 4.06Å; F895-F897 HydrophobicContact CB-CZ 4.12Å; F895-F897 HydrophobicContact CD1-CE1 4.04Å; F895-F897 AromaticContact CD1-CE2 3.94Å; F895-F897 HydrophobicContact CD1-CE2 3.94Å; F895-F897 AromaticContact CD1-CZ 3.44Å; F895-F897 HydrophobicContact CD1-CZ 3.44Å; F895-F897 VanDerWaalsContact CD1-CZ 3.44Å; F895-F897 HydrophobicContact CE1-CZ 4.24Å; F895-F897 HydrophobicContact CG-CE2 4.23Å; F895-F897 HydrophobicContact CG-CZ 4.13Å; F895-I899 HydrophobicContact CB-CG1 4.45Å; F895-I899 HydrophobicContact CD2-CD1 3.55Å; F895-I899 HydrophobicContact CD2-CG1 4.26Å; F895-I899 HydrophobicContact CE2-CD1 3.9Å; F895-I899 HydrophobicContact CG-CD1 4.13Å; F895-I899 HydrophobicContact CG-CG1 4.35Å; F895-A911 HydrophobicContact CD1-CB 3.97Å; F895-A911 HydrophobicContact CE1-CB 3.43Å; F895-A911 VanDerWaalsContact CE1-CB 3.43Å; F895-A911 HydrophobicContact CE2-CB 4.32Å; F895-A911 HydrophobicContact CZ-CB 3.63Å; F895-Q918 HydrophobicContact CE1-CB 4.48Å; F895-R920 HydrophobicContact CE1-CG 3.92Å; F895-R920 HydrophobicContact CZ-CG 4.2Å
896N91.3Very high86Confident121 Ų12159.8 Ų59.865%0.64730%0.296SS*.SBendtrans-81.6-12.2177.457.3-17.4000112.8R872R872-N896 PolarHBondContact NH1-O 3.2Å
897F93.1Very high86.5Confident17 Ų1761.9 Ų61.98%0.07530%0.302CS..SBendtrans-109.8167.5176.754.5-103.8000112.1R872 F895 I899 A911 W913 Q918R872-F897 WeakPolarHBondContact CG-O 3.44Å; F895-F897 VanDerWaalsContact C-N 3.31Å; F895-F897 HydrophobicContact CB-CD2 4.27Å; F895-F897 HydrophobicContact CB-CE1 4.37Å; F895-F897 HydrophobicContact CB-CE2 4.06Å; F895-F897 HydrophobicContact CB-CZ 4.12Å; F895-F897 HydrophobicContact CD1-CE1 4.04Å; F895-F897 AromaticContact CD1-CE2 3.94Å; F895-F897 HydrophobicContact CD1-CE2 3.94Å; F895-F897 AromaticContact CD1-CZ 3.44Å; F895-F897 HydrophobicContact CD1-CZ 3.44Å; F895-F897 VanDerWaalsContact CD1-CZ 3.44Å; F895-F897 HydrophobicContact CE1-CZ 4.24Å; F895-F897 HydrophobicContact CG-CE2 4.23Å; F895-F897 HydrophobicContact CG-CZ 4.13Å; F897-I899 HydrophobicContact CD2-CG1 4.44Å; F897-I899 HydrophobicContact CE2-CG1 4.15Å; F897-A911 HydrophobicContact CE2-CB 4.17Å; F897-A911 HydrophobicContact CZ-CB 4.27Å; F897-W913 HydrophobicContact CB-CB 4.49Å; F897-W913 HydrophobicContact CB-CD2 4.13Å; F897-W913 HydrophobicContact CB-CE3 4.13Å; F897-W913 HydrophobicContact CB-CG 4.3Å; F897-W913 HydrophobicContact CD1-CD2 4.43Å; F897-W913 HydrophobicContact CD1-CG 4.3Å; F897-W913 HydrophobicContact CD2-CB 3.48Å; F897-W913 VanDerWaalsContact CD2-CB 3.48Å; F897-W913 AromaticContact CD2-CD1 3.96Å; F897-W913 HydrophobicContact CD2-CD2 4.37Å; F897-W913 AromaticContact CD2-CG 3.67Å; F897-W913 HydrophobicContact CD2-CG 3.67Å; F897-W913 HydrophobicContact CE2-CB 3.84Å; F897-W913 AromaticContact CE2-CD1 3.85Å; F897-W913 AromaticContact CE2-CG 3.98Å; F897-W913 HydrophobicContact CE2-CG 3.98Å; F897-W913 HydrophobicContact CG-CB 4.08Å; F897-W913 HydrophobicContact CG-CD2 4.07Å; F897-W913 AromaticContact CG-CG 3.83Å; F897-W913 HydrophobicContact CG-CG 3.83Å; F897-W913 AromaticContact CZ-CD1 3.89Å; F897-W913 HydrophobicContact CZ-CG 4.41Å; F897-Q918 HydrophobicContact CE1-CB 3.67Å; F897-Q918 HydrophobicContact CE1-CG 4.49Å; F897-Q918 HydrophobicContact CZ-CB 3.64Å
898Q93.3Very high87.5Confident107 Ų10750.5 Ų50.550%0.526%0.26SS..  trans-79.3125.9169.7-179.7168.425.100109.7D871 W913D871-Q898 CarbonylContact O-C 3.57Å; D871-Q898 WeakPolarHBondContact O-CA 3.48Å; D871-Q898 WeakPolarHBondContact OD1-CG 3.27Å; D871-Q898 PolarHBondContact OD1-NE2 2.79Å; Q898-W913 VanDerWaalsContact O-CB 3.25Å; Q898-W913 WeakPolarHBondContact O-CB 3.29Å
899I94.4Very high88.5Confident3 Ų342.6 Ų42.62%0.01523%0.226CC..  trans-79.5137.8178.3-51.8171.9000108.3I856 D871 I874 F895 F897 I902 A911I856-I899 HydrophobicContact CD1-CB 3.85Å; I856-I899 HydrophobicContact CD1-CG2 4.33Å; I856-I899 WeakPolarHBondContact CD1-O 3.44Å; D871-I899 PolarHBondContact O-N 2.91Å; I874-I899 HydrophobicContact CG1-CD1 4.21Å; F895-I899 HydrophobicContact CB-CG1 4.45Å; F895-I899 HydrophobicContact CD2-CD1 3.55Å; F895-I899 HydrophobicContact CD2-CG1 4.26Å; F895-I899 HydrophobicContact CE2-CD1 3.9Å; F895-I899 HydrophobicContact CG-CD1 4.13Å; F895-I899 HydrophobicContact CG-CG1 4.35Å; F897-I899 HydrophobicContact CD2-CG1 4.44Å; F897-I899 HydrophobicContact CE2-CG1 4.15Å; I899-I902 HydrophobicContact CG2-CG2 3.65Å; I899-A911 HydrophobicContact CD1-CB 4.43Å; I899-A911 HydrophobicContact CG1-CB 4.35Å; I899-A911 HydrophobicContact CG2-CB 4.19Å
900E92.9Very high89.3Confident90 Ų9041.4 Ų41.442%0.42122%0.219SC..  trans-110-32174.6-67.8-177.5-164.100112.2I856 F912 R914I856-E900 WeakPolarHBondContact CG2-O 3.37Å; E900-F912 PolarHBondContact N-O 3.34Å; E900-R914 WeakPolarHBondContact OE1-CA 3.33Å; E900-R914 VanDerWaalsContact OE1-CB 3.29Å; E900-R914 WeakPolarHBondContact OE1-CB 3.26Å; E900-R914 PolarHBondContact OE1-N 3Å
901A92.9Very high89.9Confident23 Ų2339.6 Ų39.619%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-156.4162.1175.800000111.2F912 L940A901-F912 HydrophobicContact CB-CB 4.41Å; A901-F912 PolarHBondContact N-O 3.49Å; A901-F912 PolarHBondContact O-N 2.86Å; A901-L940 HydrophobicContact CB-CB 3.88Å; A901-L940 HydrophobicContact CB-CD2 3.73Å; A901-L940 HydrophobicContact CB-CG 4.46Å
902I92.8Very high90.5Very high10 Ų1039 Ų395%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-134.6153.3176.162.9164.2000113.3H857 L867 C869 I874 I899 V909 L910 A911H857-I902 HydrophobicContact CB-CD1 4.1Å; H857-I902 HydrophobicContact CB-CG1 3.84Å; L867-I902 HydrophobicContact CD2-CD1 3.26Å; C869-I902 HydrophobicContact CB-CD1 3.85Å; C869-I902 HydrophobicContact CB-CG1 4.41Å; C869-I902 HydrophobicContact CB-CG2 4.44Å; C869-I902 VanDerWaalsContact SG-CG2 3.57Å; I874-I902 HydrophobicContact CD1-CG2 4.1Å; I899-I902 HydrophobicContact CG2-CG2 3.65Å; I902-V909 HydrophobicContact CB-CG2 4.06Å; I902-V909 HydrophobicContact CD1-CG2 4.39Å; I902-V909 HydrophobicContact CG2-CG2 4.45Å; I902-L910 CarbonylContact C-O 3.59Å; I902-L910 VanDerWaalsContact CA-O 3.28Å; I902-L910 WeakPolarHBondContact CA-O 3.42Å; I902-A911 HydrophobicContact CG2-CB 4.3Å
903V89.9Confident90.7Very high1 Ų138.1 Ų38.11%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-128.6103.3171.6174.40000107.8L905 L910 F912 L940 V965V903-L905 HydrophobicContact CG1-CD2 3.94Å; V903-L905 PolarHBondContact O-N 3.24Å; V903-L910 HydrophobicContact CB-CB 4.29Å; V903-L910 PolarHBondContact N-O 2.97Å; V903-L910 PolarHBondContact O-N 2.9Å; V903-F912 HydrophobicContact CB-CE2 3.97Å; V903-F912 HydrophobicContact CG2-CD2 4.3Å; V903-F912 HydrophobicContact CG2-CE2 3.57Å; V903-F912 HydrophobicContact CG2-CZ 4.39Å; V903-L940 HydrophobicContact CG2-CD1 4.13Å; V903-L940 HydrophobicContact CG2-CD2 3.81Å; V903-V965 HydrophobicContact CG1-CG2 3.94Å; V903-V965 HydrophobicContact CG2-CG1 4.08Å
904C87.1Confident90.7Very high14 Ų1443.9 Ų43.910%0.09522%0.217CC..EExtended strand (participates in β ladder)trans-72.5123.4174.5-46.30000109.7L861 F922 R963L861-C904 HydrophobicContact CD2-CB 3.95Å; C904-F922 HydrophobicContact CB-CZ 4.49Å; C904-R963 VanDerWaalsContact O-CZ 3.32Å; C904-R963 PolarHBondContact O-NH1 3.01Å; C904-R963 PolarHBondContact O-NH2 3.19Å
905L83.4Confident90.8Very high14 Ų1441.7 Ų41.77%0.07320%0.201CC..  trans-101.6-169170.6-54.5179.9000109.1V903 S908 L910 H987V903-L905 HydrophobicContact CG1-CD2 3.94Å; V903-L905 PolarHBondContact O-N 3.24Å; L905-S908 CarbonylContact C-O 3.51Å; L905-S908 WeakPolarHBondContact CA-O 3.41Å; L905-S908 WeakPolarHBondContact CB-O 3.41Å; L905-S908 PolarHBondContact N-O 3.37Å; L905-L910 HydrophobicContact CD1-CD1 4.07Å; L905-L910 HydrophobicContact CD1-CD2 4.21Å; L905-L910 HydrophobicContact CD1-CG 3.93Å; L905-L910 HydrophobicContact CG-CG 4.4Å; L905-H987 VanDerWaalsContact CD1-NE2 3.32Å; L905-H987 WeakPolarHBondContact CD1-NE2 3.16Å
906Q79.7Confident90.7Very high149 Ų14941.1 Ų41.170%0.69620%0.199SC*.SBendtrans-68-55.8-177.7-175.7171-21.800112.4
907D82.6Confident90.8Very high105 Ų10535.4 Ų35.456%0.56117%0.168SC*.SBendtrans-111.65-175.5-56.9-70.2000113.6S921 F922D907-S921 WeakPolarHBondContact O-CA 3.45Å; D907-S921 PolarHBondContact O-OG 3.37Å; D907-F922 VanDerWaalsContact C-CD2 3.45Å; D907-F922 PolarHBondContact O-N 3.08Å
908S88.1Confident90.8Very high7 Ų734.8 Ų34.85%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-151.2164.9-174.562.10000112.7L905 R920 F922L905-S908 CarbonylContact C-O 3.51Å; L905-S908 WeakPolarHBondContact CA-O 3.41Å; L905-S908 WeakPolarHBondContact CB-O 3.41Å; L905-S908 PolarHBondContact N-O 3.37Å; S908-R920 CarbonylContact C-O 3.51Å; S908-R920 WeakPolarHBondContact CA-O 3.35Å; S908-R920 WeakPolarHBondContact CB-O 3.48Å; S908-F922 WeakPolarHBondContact O-CE2 3.21Å; S908-F922 WeakPolarHBondContact O-CZ 3.33Å
909V90.9Very high90.7Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-123.3137.9168.160.20000109.9I874 L893 I902 G919 R920 F922I874-V909 HydrophobicContact CD1-CB 4.4Å; I874-V909 HydrophobicContact CD1-CG1 3.72Å; I874-V909 HydrophobicContact CD1-CG2 3.85Å; L893-V909 HydrophobicContact CD1-CG1 3.56Å; I902-V909 HydrophobicContact CB-CG2 4.06Å; I902-V909 HydrophobicContact CD1-CG2 4.39Å; I902-V909 HydrophobicContact CG2-CG2 4.45Å; V909-G919 CarbonylContact O-C 3.57Å; V909-G919 VanDerWaalsContact O-CA 3.31Å; V909-G919 WeakPolarHBondContact O-CA 3.4Å; V909-R920 PolarHBondContact N-O 3.45Å; V909-R920 PolarHBondContact O-N 3.48Å; V909-F922 HydrophobicContact CB-CE1 3.72Å; V909-F922 HydrophobicContact CB-CZ 3.77Å; V909-F922 HydrophobicContact CG1-CE1 3.86Å; V909-F922 HydrophobicContact CG1-CZ 4.41Å
910L92.4Very high90.5Very high1 Ų131 Ų311%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-95.5118167.7-51.2179.8000108.4I902 V903 L905 F912 M917 L984I902-L910 CarbonylContact C-O 3.59Å; I902-L910 VanDerWaalsContact CA-O 3.28Å; I902-L910 WeakPolarHBondContact CA-O 3.42Å; V903-L910 HydrophobicContact CB-CB 4.29Å; V903-L910 PolarHBondContact N-O 2.97Å; V903-L910 PolarHBondContact O-N 2.9Å; L905-L910 HydrophobicContact CD1-CD1 4.07Å; L905-L910 HydrophobicContact CD1-CD2 4.21Å; L905-L910 HydrophobicContact CD1-CG 3.93Å; L905-L910 HydrophobicContact CG-CG 4.4Å; L910-F912 HydrophobicContact CB-CE2 3.72Å; L910-F912 HydrophobicContact CB-CZ 4.09Å; L910-F912 HydrophobicContact CD1-CE2 4.49Å; L910-F912 HydrophobicContact CD1-CZ 4.22Å; L910-M917 HydrophobicContact CD2-SD 4.35Å; L910-L984 HydrophobicContact CD1-CD2 3.35Å
911A94.2Very high90.4Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-98.8121.3171.600000109.8F895 F897 I899 I902 M917 Q918F895-A911 HydrophobicContact CD1-CB 3.97Å; F895-A911 HydrophobicContact CE1-CB 3.43Å; F895-A911 VanDerWaalsContact CE1-CB 3.43Å; F895-A911 HydrophobicContact CE2-CB 4.32Å; F895-A911 HydrophobicContact CZ-CB 3.63Å; F897-A911 HydrophobicContact CE2-CB 4.17Å; F897-A911 HydrophobicContact CZ-CB 4.27Å; I899-A911 HydrophobicContact CD1-CB 4.43Å; I899-A911 HydrophobicContact CG1-CB 4.35Å; I899-A911 HydrophobicContact CG2-CB 4.19Å; I902-A911 HydrophobicContact CG2-CB 4.3Å; A911-M917 CarbonylContact O-C 3.41Å; A911-M917 WeakPolarHBondContact O-CA 3.32Å; A911-M917 WeakPolarHBondContact O-CB 3.41Å; A911-Q918 PolarHBondContact N-O 2.88Å; A911-Q918 PolarHBondContact O-N 3.08Å
912F94.6Very high90.1Very high6 Ų626.8 Ų26.83%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-96141.7177.6-65-90.6000109.8F627 E900 A901 V903 L910 G916 M917 L940 V965 L967F627-F912 HydrophobicContact CE1-CE1 4.23Å; F627-F912 HydrophobicContact CZ-CE1 4.37Å; E900-F912 PolarHBondContact N-O 3.34Å; A901-F912 HydrophobicContact CB-CB 4.41Å; A901-F912 PolarHBondContact N-O 3.49Å; A901-F912 PolarHBondContact O-N 2.86Å; V903-F912 HydrophobicContact CB-CE2 3.97Å; V903-F912 HydrophobicContact CG2-CD2 4.3Å; V903-F912 HydrophobicContact CG2-CE2 3.57Å; V903-F912 HydrophobicContact CG2-CZ 4.39Å; L910-F912 HydrophobicContact CB-CE2 3.72Å; L910-F912 HydrophobicContact CB-CZ 4.09Å; L910-F912 HydrophobicContact CD1-CE2 4.49Å; L910-F912 HydrophobicContact CD1-CZ 4.22Å; F912-G916 WeakPolarHBondContact CA-O 3.33Å; F912-M917 HydrophobicContact CD1-CB 3.62Å; F912-M917 HydrophobicContact CD1-CG 4.39Å; F912-M917 HydrophobicContact CE1-CB 3.68Å; F912-M917 HydrophobicContact CE1-CG 4.03Å; F912-M917 HydrophobicContact CG-CB 4.21Å; F912-M917 HydrophobicContact CZ-CB 4.34Å; F912-L940 HydrophobicContact CE2-CD1 4.42Å; F912-V965 HydrophobicContact CZ-CG1 4.07Å; F912-L967 HydrophobicContact CD1-CD2 3.77Å; F912-L967 HydrophobicContact CE1-CD1 4.42Å; F912-L967 HydrophobicContact CE1-CD2 3.72Å; F912-L967 HydrophobicContact CE1-CG 4.45Å
913W94.3Very high89.8Confident45 Ų4532.9 Ų32.917%0.1715%0.151CC..EExtended strand (participates in β ladder)trans-143.2168.1178.170.1-73.9000109.1F897 Q898 H915 G916 C932F897-W913 HydrophobicContact CB-CB 4.49Å; F897-W913 HydrophobicContact CB-CD2 4.13Å; F897-W913 HydrophobicContact CB-CE3 4.13Å; F897-W913 HydrophobicContact CB-CG 4.3Å; F897-W913 HydrophobicContact CD1-CD2 4.43Å; F897-W913 HydrophobicContact CD1-CG 4.3Å; F897-W913 HydrophobicContact CD2-CB 3.48Å; F897-W913 VanDerWaalsContact CD2-CB 3.48Å; F897-W913 AromaticContact CD2-CD1 3.96Å; F897-W913 HydrophobicContact CD2-CD2 4.37Å; F897-W913 AromaticContact CD2-CG 3.67Å; F897-W913 HydrophobicContact CD2-CG 3.67Å; F897-W913 HydrophobicContact CE2-CB 3.84Å; F897-W913 AromaticContact CE2-CD1 3.85Å; F897-W913 AromaticContact CE2-CG 3.98Å; F897-W913 HydrophobicContact CE2-CG 3.98Å; F897-W913 HydrophobicContact CG-CB 4.08Å; F897-W913 HydrophobicContact CG-CD2 4.07Å; F897-W913 AromaticContact CG-CG 3.83Å; F897-W913 HydrophobicContact CG-CG 3.83Å; F897-W913 AromaticContact CZ-CD1 3.89Å; F897-W913 HydrophobicContact CZ-CG 4.41Å; Q898-W913 VanDerWaalsContact O-CB 3.25Å; Q898-W913 WeakPolarHBondContact O-CB 3.29Å; W913-H915 HydrophobicContact CE3-CB 4.27Å; W913-H915 HydrophobicContact CH2-CB 3.64Å; W913-H915 HydrophobicContact CZ2-CB 3.96Å; W913-H915 HydrophobicContact CZ3-CB 3.81Å; W913-H915 AromaticContact CZ3-CD2 3.71Å; W913-H915 PolarHBondContact O-N 2.99Å; W913-G916 VanDerWaalsContact CD1-C 3.43Å; W913-G916 PolarHBondContact N-O 3.23Å; W913-G916 PolarHBondContact O-N 2.92Å; W913-C932 HydrophobicContact CZ2-CB 4.44Å
914R92.8Very high89.5Confident121 Ų12136.3 Ų36.346%0.45717%0.172SC..THydrogen-bonded Turntrans-40.2-42.8-172.5-163.5175175.2157-3.5115.8E900 I937 F938E900-R914 WeakPolarHBondContact OE1-CA 3.33Å; E900-R914 VanDerWaalsContact OE1-CB 3.29Å; E900-R914 WeakPolarHBondContact OE1-CB 3.26Å; E900-R914 PolarHBondContact OE1-N 3Å; R914-I937 HydrophobicContact CG-CG1 4.19Å; R914-I937 HydrophobicContact CG-CG2 3.96Å; R914-I937 CarbonylContact O-C 3.59Å; R914-I937 VanDerWaalsContact O-CA 3.22Å; R914-I937 WeakPolarHBondContact O-CA 3.49Å; R914-F938 PolarHBondContact O-N 3.37Å
915H92.8Very high89.5Confident30 Ų3037.7 Ų37.714%0.13918%0.178CC..THydrogen-bonded Turntrans-111.216.1-175.1-57.8-65.1000114.6W913 C932 D933 R936 T972W913-H915 HydrophobicContact CE3-CB 4.27Å; W913-H915 HydrophobicContact CH2-CB 3.64Å; W913-H915 HydrophobicContact CZ2-CB 3.96Å; W913-H915 HydrophobicContact CZ3-CB 3.81Å; W913-H915 AromaticContact CZ3-CD2 3.71Å; W913-H915 PolarHBondContact O-N 2.99Å; H915-C932 WeakPolarHBondContact O-CA 3.31Å; H915-D933 PolarHBondContact O-N 3.11Å; H915-R936 PolarHBondContact ND1-O 3.14Å; H915-T972 PolarHBondContact CE1-OG1 2.91Å
916G91.2Very high89.7Confident0 Ų043 Ų430%020%0.203CC..EExtended strand (participates in β ladder)trans154.9-136.8171.400000115F912 W913 I931F912-G916 WeakPolarHBondContact CA-O 3.33Å; W913-G916 VanDerWaalsContact CD1-C 3.43Å; W913-G916 PolarHBondContact N-O 3.23Å; W913-G916 PolarHBondContact O-N 2.92Å; G916-I931 CarbonylContact C-O 3.56Å; G916-I931 WeakPolarHBondContact CA-O 3.4Å
917M93.4Very high90.1Very high0 Ų040 Ų400%019%0.19CC..EExtended strand (participates in β ladder)trans-151.6154.4-178.961.2120.4-90.200113.4F627 L910 A911 F912 Q929 E930 I931F627-M917 HydrophobicContact CE1-CG 4.1Å; F627-M917 HydrophobicContact CZ-CG 3.79Å; L910-M917 HydrophobicContact CD2-SD 4.35Å; A911-M917 CarbonylContact O-C 3.41Å; A911-M917 WeakPolarHBondContact O-CA 3.32Å; A911-M917 WeakPolarHBondContact O-CB 3.41Å; F912-M917 HydrophobicContact CD1-CB 3.62Å; F912-M917 HydrophobicContact CD1-CG 4.39Å; F912-M917 HydrophobicContact CE1-CB 3.68Å; F912-M917 HydrophobicContact CE1-CG 4.03Å; F912-M917 HydrophobicContact CG-CB 4.21Å; F912-M917 HydrophobicContact CZ-CB 4.34Å; M917-Q929 HydrophobicContact CE-CB 3.89Å; M917-Q929 WeakPolarHBondContact CE-O 3.4Å; M917-E930 WeakPolarHBondContact O-CA 3.44Å; M917-I931 HydrophobicContact CE-CG1 4.22Å; M917-I931 HydrophobicContact CG-CB 4.05Å; M917-I931 HydrophobicContact CG-CD1 4.12Å; M917-I931 HydrophobicContact CG-CG1 4.21Å; M917-I931 PolarHBondContact N-O 3.08Å; M917-I931 PolarHBondContact O-N 3.2Å; M917-I931 HydrophobicContact SD-CD1 4.18Å; M917-I931 HydrophobicContact SD-CG1 4.42Å
918Q92.6Very high90.3Very high4 Ų437.8 Ų37.82%0.01918%0.181CC..EExtended strand (participates in β ladder)trans-129.3125.1167.4-166.6178.778.700109.7F895 F897 A911 I927 Q929 E930F895-Q918 HydrophobicContact CE1-CB 4.48Å; F897-Q918 HydrophobicContact CE1-CB 3.67Å; F897-Q918 HydrophobicContact CE1-CG 4.49Å; F897-Q918 HydrophobicContact CZ-CB 3.64Å; A911-Q918 PolarHBondContact N-O 2.88Å; A911-Q918 PolarHBondContact O-N 3.08Å; Q918-I927 HydrophobicContact CG-CG1 4.09Å; Q918-I927 HydrophobicContact CG-CG2 3.76Å; Q918-Q929 CarbonylContact C-O 3.5Å; Q918-E930 HydrophobicContact CB-CG 4.45Å; Q918-E930 HydrophobicContact CG-CB 4.5Å; Q918-E930 HydrophobicContact CG-CG 4.34Å; Q918-E930 PolarHBondContact NE2-OE2 2.93Å
919G91.2Very high90.1Very high0 Ų039.2 Ų39.20%019%0.187CC..EExtended strand (participates in β ladder)trans-88.1136.6170.200000110.7V909 I927 T928 Q929V909-G919 CarbonylContact O-C 3.57Å; V909-G919 VanDerWaalsContact O-CA 3.31Å; V909-G919 WeakPolarHBondContact O-CA 3.4Å; G919-I927 CarbonylContact O-C 3.54Å; G919-I927 VanDerWaalsContact O-CA 3.32Å; G919-I927 WeakPolarHBondContact O-CA 3.25Å; G919-T928 VanDerWaalsContact C-OG1 3.25Å; G919-T928 PolarHBondContact O-N 2.97Å; G919-T928 PolarHBondContact O-OG1 2.91Å; G919-Q929 PolarHBondContact N-O 2.83Å
920R91.5Very high90Very high32 Ų3244 Ų4412%0.12121%0.209CC..EExtended strand (participates in β ladder)trans-131.8140174.5-71.2-173.4175.7-109.3-5.4112T894 F895 S908 V909 N925 E926T894-R920 PolarHBondContact O-NE 3.47Å; T894-R920 PolarHBondContact O-NH1 3.19Å; T894-R920 PolarHBondContact O-NH2 2.77Å; F895-R920 HydrophobicContact CE1-CG 3.92Å; F895-R920 HydrophobicContact CZ-CG 4.2Å; S908-R920 CarbonylContact C-O 3.51Å; S908-R920 WeakPolarHBondContact CA-O 3.35Å; S908-R920 WeakPolarHBondContact CB-O 3.48Å; V909-R920 PolarHBondContact N-O 3.45Å; V909-R920 PolarHBondContact O-N 3.48Å; R920-N925 PolarHBondContact NH1-O 3.49Å; R920-N925 PolarHBondContact NH1-OD1 3.46Å; R920-N925 VanDerWaalsContact NH1-OD1 3.09Å; R920-E926 VanDerWaalsContact CA-O 3.3Å; R920-E926 WeakPolarHBondContact CA-O 3.18Å
921S88.9Confident89.8Confident18 Ų1845.6 Ų45.613%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-68.7135.6173179.70000110.8D907 K923 T924 N925 E926D907-S921 WeakPolarHBondContact O-CA 3.45Å; D907-S921 PolarHBondContact O-OG 3.37Å; S921-K923 PolarHBondContact O-N 3.5Å; S921-K923 PolarHBondContact OG-N 3.41Å; S921-K923 VanDerWaalsContact OG-N 3.1Å; S921-T924 WeakPolarHBondContact CB-OG1 3.35Å; S921-T924 PolarHBondContact OG-N 3.21Å; S921-N925 VanDerWaalsContact O-CA 3.31Å; S921-N925 WeakPolarHBondContact O-CA 3.22Å; S921-N925 PolarHBondContact O-N 2.93Å; S921-E926 PolarHBondContact N-O 3.11Å
922F87.8Confident89.5Confident5 Ų548.9 Ų48.92%0.02224%0.24CC..THydrogen-bonded Turntrans-64.6-28.4169.5-68.8-51.4000112.3L861 L867 I876 L889 S890 L893 C904 D907 S908 V909L861-F922 HydrophobicContact CD1-CZ 4.23Å; L867-F922 HydrophobicContact CD1-CE1 3.58Å; L867-F922 HydrophobicContact CD1-CZ 3.8Å; I876-F922 HydrophobicContact CD1-CD1 3.89Å; I876-F922 HydrophobicContact CD1-CE1 4.34Å; L889-F922 HydrophobicContact CD2-CB 3.72Å; L889-F922 HydrophobicContact CD2-CG 4.32Å; S890-F922 WeakPolarHBondContact CB-O 3.46Å; S890-F922 PolarHBondContact N-O 3.37Å; L893-F922 HydrophobicContact CD1-CD1 3.93Å; L893-F922 HydrophobicContact CD1-CE1 4.23Å; C904-F922 HydrophobicContact CB-CZ 4.49Å; D907-F922 VanDerWaalsContact C-CD2 3.45Å; D907-F922 PolarHBondContact O-N 3.08Å; S908-F922 WeakPolarHBondContact O-CE2 3.21Å; S908-F922 WeakPolarHBondContact O-CZ 3.33Å; V909-F922 HydrophobicContact CB-CE1 3.72Å; V909-F922 HydrophobicContact CB-CZ 3.77Å; V909-F922 HydrophobicContact CG1-CE1 3.86Å; V909-F922 HydrophobicContact CG1-CZ 4.41Å
923K85.8Confident89.2Confident139 Ų13949.6 Ų49.660%0.60424%0.244SC*.THydrogen-bonded Turntrans-85.1-46.6-174.1-172.1-179.9178.5-1720112.9K888 S921K888-K923 WeakPolarHBondContact O-CA 3.4Å; S921-K923 PolarHBondContact O-N 3.5Å; S921-K923 PolarHBondContact OG-N 3.41Å; S921-K923 VanDerWaalsContact OG-N 3.1Å
924T83.9Confident89Confident73 Ų7352.2 Ų52.245%0.44826%0.261SS..THydrogen-bonded Turntrans-104.4-12-174.461.30000114.2S921 E926S921-T924 WeakPolarHBondContact CB-OG1 3.35Å; S921-T924 PolarHBondContact OG-N 3.21Å; T924-E926 WeakPolarHBondContact CB-OE2 3.36Å; T924-E926 WeakPolarHBondContact CG2-OE2 3.44Å; T924-E926 PolarHBondContact O-N 3.4Å; T924-E926 VanDerWaalsContact O-N 3.08Å; T924-E926 WeakPolarHBondContact OG1-CB 3.22Å; T924-E926 WeakPolarHBondContact OG1-CG 3.37Å; T924-E926 PolarHBondContact OG1-N 3.31Å; T924-E926 PolarHBondContact OG1-OE2 3.3Å
925N86.3Confident88.8Confident42 Ų4250.2 Ų50.223%0.22526%0.262CS..  trans57.410.6-168.8-170.221.3000113.8L893 R920 S921L893-N925 HydrophobicContact CD2-CB 3.65Å; L893-N925 VanDerWaalsContact CD2-OD1 3.27Å; L893-N925 WeakPolarHBondContact CD2-OD1 3.37Å; R920-N925 PolarHBondContact NH1-O 3.49Å; R920-N925 PolarHBondContact NH1-OD1 3.46Å; R920-N925 VanDerWaalsContact NH1-OD1 3.09Å; S921-N925 VanDerWaalsContact O-CA 3.31Å; S921-N925 WeakPolarHBondContact O-CA 3.22Å; S921-N925 PolarHBondContact O-N 2.93Å
926E88.4Confident88.7Confident127 Ų12750.3 Ų50.359%0.59326%0.261SS*.  trans-71.7147.5174.1-66.3165.5140.400110.2R920 S921 T924 T928R920-E926 VanDerWaalsContact CA-O 3.3Å; R920-E926 WeakPolarHBondContact CA-O 3.18Å; S921-E926 PolarHBondContact N-O 3.11Å; T924-E926 WeakPolarHBondContact CB-OE2 3.36Å; T924-E926 WeakPolarHBondContact CG2-OE2 3.44Å; T924-E926 PolarHBondContact O-N 3.4Å; T924-E926 VanDerWaalsContact O-N 3.08Å; T924-E926 WeakPolarHBondContact OG1-CB 3.22Å; T924-E926 WeakPolarHBondContact OG1-CG 3.37Å; T924-E926 PolarHBondContact OG1-N 3.31Å; T924-E926 PolarHBondContact OG1-OE2 3.3Å; E926-T928 PolarHBondContact O-N 3.01Å
927I89.2Confident88.8Confident84 Ų8451.9 Ų51.943%0.43127%0.27SS..EExtended strand (participates in β ladder)trans-70.2114.2173.9-61.9164.4000107.5Q918 G919 E930Q918-I927 HydrophobicContact CG-CG1 4.09Å; Q918-I927 HydrophobicContact CG-CG2 3.76Å; G919-I927 CarbonylContact O-C 3.54Å; G919-I927 VanDerWaalsContact O-CA 3.32Å; G919-I927 WeakPolarHBondContact O-CA 3.25Å; I927-E930 HydrophobicContact CG2-CB 4.26Å
928T85.9Confident88.8Confident60 Ų6052.4 Ų52.437%0.36827%0.272SS..EExtended strand (participates in β ladder)trans-81.8-36.3177.755.40000111.3G919 E926G919-T928 VanDerWaalsContact C-OG1 3.25Å; G919-T928 PolarHBondContact O-N 2.97Å; G919-T928 PolarHBondContact O-OG1 2.91Å; E926-T928 PolarHBondContact O-N 3.01Å
929Q84.6Confident88.9Confident37 Ų3756.4 Ų56.417%0.17329%0.287CS..EExtended strand (participates in β ladder)trans-155.1148.3-173.6-61.5-178.8-5.600109.7M917 Q918 G919 H987M917-Q929 HydrophobicContact CE-CB 3.89Å; M917-Q929 WeakPolarHBondContact CE-O 3.4Å; Q918-Q929 CarbonylContact C-O 3.5Å; G919-Q929 PolarHBondContact N-O 2.83Å; Q929-H987 PolarHBondContact NE2-CD2 2.95Å
930E87.2Confident89Confident101 Ų10158 Ų5847%0.47230%0.295SS..EExtended strand (participates in β ladder)trans-146.2137.4173.4-169165.9153.600110.7M917 Q918 I927M917-E930 WeakPolarHBondContact O-CA 3.44Å; Q918-E930 HydrophobicContact CB-CG 4.45Å; Q918-E930 HydrophobicContact CG-CB 4.5Å; Q918-E930 HydrophobicContact CG-CG 4.34Å; Q918-E930 PolarHBondContact NE2-OE2 2.93Å; I927-E930 HydrophobicContact CG2-CB 4.26Å
931I88.2Confident89.1Confident34 Ų3457 Ų5717%0.17429%0.292CS..EExtended strand (participates in β ladder)trans-131126.4173.4-55.3174000106.5F627 G916 M917 L984F627-I931 HydrophobicContact CD1-CD1 4Å; F627-I931 HydrophobicContact CD2-CD1 4.41Å; F627-I931 HydrophobicContact CD2-CG2 4.01Å; F627-I931 HydrophobicContact CE1-CD1 3.88Å; F627-I931 HydrophobicContact CE2-CB 4.34Å; F627-I931 HydrophobicContact CE2-CD1 4.31Å; F627-I931 HydrophobicContact CE2-CG2 3.75Å; F627-I931 HydrophobicContact CG-CD1 4.27Å; F627-I931 HydrophobicContact CZ-CB 4.45Å; F627-I931 HydrophobicContact CZ-CD1 4.06Å; F627-I931 HydrophobicContact CZ-CG2 4.34Å; G916-I931 CarbonylContact C-O 3.56Å; G916-I931 WeakPolarHBondContact CA-O 3.4Å; M917-I931 HydrophobicContact CE-CG1 4.22Å; M917-I931 HydrophobicContact CG-CB 4.05Å; M917-I931 HydrophobicContact CG-CD1 4.12Å; M917-I931 HydrophobicContact CG-CG1 4.21Å; M917-I931 PolarHBondContact N-O 3.08Å; M917-I931 PolarHBondContact O-N 3.2Å; M917-I931 HydrophobicContact SD-CD1 4.18Å; M917-I931 HydrophobicContact SD-CG1 4.42Å; I931-L984 HydrophobicContact CD1-CD1 4.37Å
932C89.1Confident89.1Confident69 Ų6956.7 Ų56.747%0.46629%0.292SS..EExtended strand (participates in β ladder)trans-139.2123.7179179.70000109.2W913 H915W913-C932 HydrophobicContact CZ2-CB 4.44Å; H915-C932 WeakPolarHBondContact O-CA 3.31Å
933D88.6Confident88.9Confident20 Ų2057.4 Ų57.411%0.10730%0.297CS..  trans-143.790.4175.5-173-15.1000109.5S331 H915 T935 R936 F938S331-D933 PolarHBondContact OG-OD2 2.84Å; H915-D933 PolarHBondContact O-N 3.11Å; D933-T935 PolarHBondContact O-N 3.42Å; D933-T935 WeakPolarHBondContact OD1-CB 3.31Å; D933-T935 PolarHBondContact OD1-N 3.23Å; D933-T935 VanDerWaalsContact OD1-N 3.11Å; D933-T935 PolarHBondContact OD1-OG1 3.32Å; D933-R936 PolarHBondContact O-N 3.26Å; D933-F938 HydrophobicContact CB-CE2 4.08Å; D933-F938 HydrophobicContact CB-CZ 4.36Å
934N90.2Very high88.1Confident101 Ų10151.5 Ų51.554%0.5427%0.272SS..THydrogen-bonded Turntrans-61.1-14.3-179.2-65.6-34.2000113.7R936 T972N934-R936 PolarHBondContact O-N 3.3Å; N934-T972 WeakPolarHBondContact O-CB 3.49Å; N934-T972 PolarHBondContact O-OG1 3.18Å
935T88.6Confident87Confident78 Ų7853.6 Ų53.648%0.47927%0.272SS..THydrogen-bonded Turntrans-74.9-13.1175.775.30000112.8D933 T972D933-T935 PolarHBondContact O-N 3.42Å; D933-T935 WeakPolarHBondContact OD1-CB 3.31Å; D933-T935 PolarHBondContact OD1-N 3.23Å; D933-T935 VanDerWaalsContact OD1-N 3.11Å; D933-T935 PolarHBondContact OD1-OG1 3.32Å; T935-T972 VanDerWaalsContact C-OG1 3.22Å; T935-T972 PolarHBondContact O-N 2.88Å; T935-T972 PolarHBondContact O-OG1 2.96Å
936R90.4Very high85.5Confident32 Ų3256.2 Ų56.212%0.12128%0.279CS..EExtended strand (participates in β ladder)trans-128.1150-178.9-69176.8179.6-90.9-10.7112H915 D933 N934 F938 S969 R970 T972 N980 Y982H915-R936 PolarHBondContact ND1-O 3.14Å; D933-R936 PolarHBondContact O-N 3.26Å; N934-R936 PolarHBondContact O-N 3.3Å; R936-F938 HydrophobicContact CB-CD2 4.31Å; R936-F938 HydrophobicContact CB-CE2 3.64Å; R936-F938 HydrophobicContact CB-CZ 3.79Å; R936-S969 PolarHBondContact NH1-OG 2.94Å; R936-R970 CarbonylContact C-O 3.57Å; R936-R970 VanDerWaalsContact CA-O 3.28Å; R936-R970 WeakPolarHBondContact CA-O 3.2Å; R936-T972 VanDerWaalsContact C-OG1 3.27Å; R936-T972 WeakPolarHBondContact CA-OG1 3.47Å; R936-T972 PolarHBondContact N-OG1 3.33Å; R936-T972 PolarHBondContact O-OG1 3.48Å; R936-N980 PolarHBondContact NH1-ND2 3.48Å; R936-Y982 PolarHBondContact NH1-OH 3.25Å
937I92.8Very high83.2Confident34 Ų3451.2 Ų51.217%0.17426%0.259CS..EExtended strand (participates in β ladder)trans-101.5122.7166.4-63.2169000107.2R914 S969 R970 P975R914-I937 HydrophobicContact CG-CG1 4.19Å; R914-I937 HydrophobicContact CG-CG2 3.96Å; R914-I937 CarbonylContact O-C 3.59Å; R914-I937 VanDerWaalsContact O-CA 3.22Å; R914-I937 WeakPolarHBondContact O-CA 3.49Å; I937-S969 CarbonylContact O-C 3.56Å; I937-S969 WeakPolarHBondContact O-CA 3.42Å; I937-R970 PolarHBondContact N-O 2.87Å; I937-R970 PolarHBondContact O-N 3.49Å; I937-P975 HydrophobicContact CD1-CG 4.43Å
938F93.4Very high80.8Confident10 Ų1049.7 Ų49.74%0.04425%0.252CS..EExtended strand (participates in β ladder)trans-105.3144.1177.2-62.7-89.9000111F627 R914 D933 R936 L967 E968F627-F938 HydrophobicContact CD2-CD1 4.01Å; F627-F938 AromaticContact CD2-CE1 3.54Å; F627-F938 HydrophobicContact CD2-CE1 3.54Å; F627-F938 AromaticContact CD2-CZ 3.99Å; F627-F938 HydrophobicContact CD2-CZ 3.99Å; F627-F938 AromaticContact CE2-CD1 3.77Å; F627-F938 HydrophobicContact CE2-CD1 3.77Å; F627-F938 HydrophobicContact CE2-CD2 4.47Å; F627-F938 AromaticContact CE2-CE1 3.69Å; F627-F938 HydrophobicContact CE2-CE1 3.69Å; F627-F938 HydrophobicContact CE2-CE2 4.4Å; F627-F938 HydrophobicContact CE2-CG 4.17Å; F627-F938 HydrophobicContact CE2-CZ 4.02Å; R914-F938 PolarHBondContact O-N 3.37Å; D933-F938 HydrophobicContact CB-CE2 4.08Å; D933-F938 HydrophobicContact CB-CZ 4.36Å; R936-F938 HydrophobicContact CB-CD2 4.31Å; R936-F938 HydrophobicContact CB-CE2 3.64Å; R936-F938 HydrophobicContact CB-CZ 3.79Å; F938-L967 HydrophobicContact CB-CD2 4.31Å; F938-E968 WeakPolarHBondContact CA-O 3.4Å
939R93.9Very high78.6Confident89 Ų8948.9 Ų48.934%0.33626%0.255SS..EExtended strand (participates in β ladder)trans-136.7134.9170.1-173177.462.898.1-5.7110.5I638 L941 L967 E968I638-R939 PolarHBondContact O-NH2 3.29Å; R939-L941 VanDerWaalsContact NH2-CD2 3.29Å; R939-L941 PolarHBondContact O-N 2.93Å; R939-L967 WeakPolarHBondContact O-CA 3.32Å; R939-E968 HydrophobicContact CB-CG 3.97Å; R939-E968 IonicContact CZ-OE1 2.75Å; R939-E968 VanDerWaalsContact CZ-OE1 3.23Å; R939-E968 PolarHBondContact N-O 3.17Å; R939-E968 IonicContact NE-OE1 3.71Å; R939-E968 PolarHBondContact NE-OE1 3.14Å; R939-E968 VanDerWaalsContact NH2-CD 3.3Å; R939-E968 IonicContact NH2-OE1 3.85Å; R939-E968 PolarHBondContact NH2-OE1 2.85Å; R939-E968 IonicContact NH2-OE2 2.88Å; R939-E968 PolarHBondContact O-N 2.95Å
940L94.1Very high76.4Confident34 Ų3452.8 Ų52.818%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-68.1123171.7-174.570.1000109.6A901 V903 F912 V965A901-L940 HydrophobicContact CB-CB 3.88Å; A901-L940 HydrophobicContact CB-CD2 3.73Å; A901-L940 HydrophobicContact CB-CG 4.46Å; V903-L940 HydrophobicContact CG2-CD1 4.13Å; V903-L940 HydrophobicContact CG2-CD2 3.81Å; F912-L940 HydrophobicContact CE2-CD1 4.42Å; L940-V965 HydrophobicContact CD1-CG1 3.56Å
941L93.6Very high73.8Confident11 Ų1152.7 Ų52.76%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-93.8-33.5174-66.3179.3000111.9I638 C640 A641 F656 R939 V966 E968 L981I638-L941 HydrophobicContact CB-CD1 4.32Å; I638-L941 HydrophobicContact CB-CD2 4.08Å; I638-L941 HydrophobicContact CD1-CD1 4.09Å; I638-L941 HydrophobicContact CG2-CD1 4.01Å; I638-L941 HydrophobicContact CG2-CD2 3.91Å; I638-L941 HydrophobicContact CG2-CG 4.46Å; C640-L941 CarbonylContact C-O 3.58Å; C640-L941 VanDerWaalsContact CA-O 3.3Å; C640-L941 WeakPolarHBondContact CA-O 3.35Å; A641-L941 HydrophobicContact CB-CB 3.92Å; A641-L941 PolarHBondContact N-O 2.96Å; F656-L941 HydrophobicContact CE1-CD1 4.45Å; R939-L941 VanDerWaalsContact NH2-CD2 3.29Å; R939-L941 PolarHBondContact O-N 2.93Å; L941-V966 HydrophobicContact CB-CB 4.48Å; L941-V966 HydrophobicContact CB-CG1 4.29Å; L941-V966 HydrophobicContact CD1-CG1 4.23Å; L941-V966 PolarHBondContact N-O 2.96Å; L941-E968 HydrophobicContact CD1-CB 4Å; L941-E968 HydrophobicContact CD1-CG 4.43Å; L941-E968 HydrophobicContact CD2-CB 4.36Å; L941-E968 HydrophobicContact CD2-CG 3.88Å; L941-E968 HydrophobicContact CG-CB 4.21Å; L941-E968 HydrophobicContact CG-CG 4.14Å; L941-L981 HydrophobicContact CD1-CD2 3.98Å
942G89Confident71.4Confident11 Ų1156.2 Ų56.211%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-173.7156.7-174.300000113.1A641 V966A641-G942 WeakPolarHBondContact O-CA 3.18Å; G942-V966 PolarHBondContact N-O 2.84Å; G942-V966 PolarHBondContact O-N 3.37Å
943S84.1Confident68.7Low20 Ų2060 Ų6014%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-148.4117.4170.9141.10000105.7R945 R963 V964S943-R945 PolarHBondContact O-N 3.41Å; S943-R963 PolarHBondContact OG-NE 3.03Å; S943-R963 PolarHBondContact OG-NH2 3.29Å; S943-V964 WeakPolarHBondContact CA-O 3.12Å
944D67.9Low66.2Low15 Ų1561.6 Ų61.68%0.0832%0.324CS..  trans-61.1103.2-173.1-133.445.3000111T642 S643 R946 V964T642-D944 PolarHBondContact OG1-OD1 2.91Å; S643-D944 PolarHBondContact N-OD1 3.38Å; S643-D944 PolarHBondContact OG-OD2 3.41Å; S643-D944 VanDerWaalsContact OG-OD2 3.07Å; D944-R946 VanDerWaalsContact C-N 3.35Å; D944-R946 PolarHBondContact O-N 3.36Å; D944-R946 WeakPolarHBondContact OD2-CG 3.22Å; D944-R946 IonicContact OD2-CZ 2.71Å; D944-R946 IonicContact OD2-NE 3.54Å; D944-R946 PolarHBondContact OD2-NE 2.7Å; D944-R946 IonicContact OD2-NH2 3.73Å; D944-R946 PolarHBondContact OD2-NH2 3Å; D944-V964 PolarHBondContact N-O 3.46Å; D944-V964 VanDerWaalsContact N-O 3.16Å
945R60.9Low63.3Low117 Ų11766.1 Ų66.144%0.44234%0.343SS..  trans-90.472.6174.8-66.9-169.7-166.8171.210.6108.6E805 H857 S943 A947E805-R945 IonicContact OE1-CZ 3.47Å; E805-R945 IonicContact OE1-NH1 2.8Å; E805-R945 PolarHBondContact OE1-NH1 2.94Å; E805-R945 IonicContact OE2-NH1 3.54Å; H857-R945 PolarHBondContact CE1-NH2 3.06Å; H857-R945 PolarHBondContact NE2-NH2 3.25Å; S943-R945 PolarHBondContact O-N 3.41Å; R945-A947 PolarHBondContact O-N 3.2Å
946R54.2Low60.8Low97 Ų9767.7 Ų67.737%0.36635%0.348SS..  trans-66105.4176.5-65.9-169.5-179.9-156.11.8109.4S643 D944 D948 L961S643-R946 PolarHBondContact OG-NH2 3.26Å; D944-R946 VanDerWaalsContact C-N 3.35Å; D944-R946 PolarHBondContact O-N 3.36Å; D944-R946 WeakPolarHBondContact OD2-CG 3.22Å; D944-R946 IonicContact OD2-CZ 2.71Å; D944-R946 IonicContact OD2-NE 3.54Å; D944-R946 PolarHBondContact OD2-NE 2.7Å; D944-R946 IonicContact OD2-NH2 3.73Å; D944-R946 PolarHBondContact OD2-NH2 3Å; R946-D948 PolarHBondContact O-N 3.33Å; R946-L961 VanDerWaalsContact NH1-CD1 3.3Å
947A40.9Very low58.1Low22 Ų2277.7 Ų77.718%0.18239%0.386CS..  trans-68.7-11.2168.200000111.7Y687 R758 R945 G949Y687-A947 WeakPolarHBondContact OH-CB 3.37Å; R758-A947 HydrophobicContact CB-CB 3.92Å; R758-A947 WeakPolarHBondContact CB-O 3.47Å; R758-A947 WeakPolarHBondContact CD-O 3.3Å; R945-A947 PolarHBondContact O-N 3.2Å; A947-G949 PolarHBondContact O-N 3.11Å
948D39.7Very low55.1Low51 Ų5177.9 Ų77.927%0.27340%0.396SS..  trans-73.170170.4-61.2-34.1000111.6K765 R946 R950K765-D948 WeakPolarHBondContact CE-OD1 3.45Å; K765-D948 IonicContact NZ-OD1 3.21Å; K765-D948 PolarHBondContact NZ-OD1 3.19Å; R946-D948 PolarHBondContact O-N 3.33Å; D948-R950 PolarHBondContact O-N 3.11Å; D948-R950 VanDerWaalsContact O-N 3.12Å
949G38.8Very low52.5Low43 Ų4385 Ų8544%0.44342%0.422SS..  trans-61.7105.9146.800000107.4A947A947-G949 PolarHBondContact O-N 3.11Å
950R38.2Very low50Low119 Ų11985.7 Ų85.745%0.44944%0.441SS..  trans-55.5146.9172.3-63.2-169.6-160.9167.712.1109.1D948 D956 R959D948-R950 PolarHBondContact O-N 3.11Å; D948-R950 VanDerWaalsContact O-N 3.12Å; R950-D956 IonicContact NH1-OD2 3.63Å; R950-D956 PolarHBondContact NH1-OD2 3.39Å; R950-R959 PolarHBondContact NH2-O 3.38Å
951D33.8Very low47.9Very low100 Ų10087.4 Ų87.454%0.53545%0.45SS..  trans-61.9131.6171-92.1-42.9000110.2D953 S954D951-D953 PolarHBondContact O-N 2.94Å; D951-D953 VanDerWaalsContact O-N 3.14Å; D951-S954 PolarHBondContact O-N 2.74Å; D951-S954 VanDerWaalsContact O-N 3.1Å; D951-S954 PolarHBondContact O-OG 3.29Å
952P36.4Very low46.2Very low108 Ų10887.7 Ų87.770%0.70145%0.452SS*.THydrogen-bonded Turntrans-64.6-14.7177.428-34.8000113
953D33.6Very low45.3Very low149 Ų14990.2 Ų90.280%0.79746%0.458SS*.THydrogen-bonded Turntrans-92.50.8177.2-63.3-32.9000113.9D951 E955D951-D953 PolarHBondContact O-N 2.94Å; D951-D953 VanDerWaalsContact O-N 3.14Å; D953-E955 PolarHBondContact O-N 3.39Å
954S35.7Very low45.2Very low52 Ų5290 Ų9036%0.36446%0.456SS..SBendtrans-73.6123.2166.559.40000110D951 D956D951-S954 PolarHBondContact O-N 2.74Å; D951-S954 VanDerWaalsContact O-N 3.1Å; D951-S954 PolarHBondContact O-OG 3.29Å; S954-D956 PolarHBondContact O-N 2.95Å
955E29.9Very low46.3Very low197 Ų19789.3 Ų89.392%0.92145%0.452SS*.SBendtrans-64-6.8-170.5-67.2-168.9120.700115.3D953 R957D953-E955 PolarHBondContact O-N 3.39Å; E955-R957 PolarHBondContact O-N 3.15Å
956D35.2Very low47.8Very low111 Ų11183.8 Ų83.859%0.59443%0.432SS*.  trans-75.167.5176.1-169.431.9000112R950 S954 G958R950-D956 IonicContact NH1-OD2 3.63Å; R950-D956 PolarHBondContact NH1-OD2 3.39Å; S954-D956 PolarHBondContact O-N 2.95Å; D956-G958 PolarHBondContact O-N 3.01Å
957R33Very low49.7Very low242 Ų24279.2 Ų79.291%0.91342%0.415SS*.  trans-70.664.8173.6-75.2-171.6174.2-178.41.8111.9E955E955-R957 PolarHBondContact O-N 3.15Å
958G31.3Very low52.3Low37 Ų3778.3 Ų78.338%0.38141%0.407SS..SBendtrans-165.1109.8176.500000113.9D956D956-G958 PolarHBondContact O-N 3.01Å
959R37.8Very low54.9Low160 Ų16075.9 Ų75.960%0.60439%0.394SS*.  trans74.196.5168.2-51.4166177.8-140.3-12.6115.6I611 R950I611-R959 VanDerWaalsContact CD1-NH2 3.27Å; R950-R959 PolarHBondContact NH2-O 3.38Å
960S41.9Very low57.4Low104 Ų10476.6 Ų76.673%0.72738%0.383SS*.PPolyproline II helixtrans-54.3138.8142.951.70000108.6
961L50.3Low59.9Low70 Ų7072.6 Ų72.637%0.36637%0.372SS..PPolyproline II helixtrans-83.3146.3-178.7-71.7167.6000110.9I645 R946 R963I645-L961 HydrophobicContact CD1-CB 4.5Å; I645-L961 HydrophobicContact CD1-CD1 3.74Å; I645-L961 HydrophobicContact CD1-CD2 3.56Å; I645-L961 HydrophobicContact CD1-CG 4.12Å; R946-L961 VanDerWaalsContact NH1-CD1 3.3Å; L961-R963 PolarHBondContact O-N 3.42Å
962P58Low62.6Low17 Ų1769.9 Ų69.911%0.1136%0.36CS..PPolyproline II helixtrans-54.1133.8-179.311.8-25.8000113.3V964 S990 Y991P962-V964 PolarHBondContact O-N 3.5Å; P962-S990 WeakPolarHBondContact CB-O 3.41Å; P962-Y991 WeakPolarHBondContact CD-OXT 3.42Å
963R70.6Confident65.1Low63 Ų6371.7 Ų71.724%0.23836%0.363CS..  trans-77.7107.6165.3-178.9175.3-179.8172-4.9109.9C904 S943 L961 S990C904-R963 VanDerWaalsContact O-CZ 3.32Å; C904-R963 PolarHBondContact O-NH1 3.01Å; C904-R963 PolarHBondContact O-NH2 3.19Å; S943-R963 PolarHBondContact OG-NE 3.03Å; S943-R963 PolarHBondContact OG-NH2 3.29Å; L961-R963 PolarHBondContact O-N 3.42Å; R963-S990 PolarHBondContact O-OG 3.4Å
964V82Confident67.7Low16 Ų1668 Ų6810%0.09734%0.344CS..  trans-83.9131.1175.1-166.20000110.4L654 S943 D944 P962 V966 I983L654-V964 HydrophobicContact CD2-CG1 4Å; S943-V964 WeakPolarHBondContact CA-O 3.12Å; D944-V964 PolarHBondContact N-O 3.46Å; D944-V964 VanDerWaalsContact N-O 3.16Å; P962-V964 PolarHBondContact O-N 3.5Å; V964-V966 HydrophobicContact CG1-CG2 4.04Å; V964-I983 HydrophobicContact CG1-CB 4.2Å; V964-I983 HydrophobicContact CG1-CG2 3.81Å
965V89.9Confident69.7Low0 Ų069 Ų690%035%0.349CS..EExtended strand (participates in β ladder)trans-113.7124.1173.6-178.30000107.7V903 F912 L940 L967 I983 L984V903-V965 HydrophobicContact CG1-CG2 3.94Å; V903-V965 HydrophobicContact CG2-CG1 4.08Å; F912-V965 HydrophobicContact CZ-CG1 4.07Å; L940-V965 HydrophobicContact CD1-CG1 3.56Å; V965-L967 HydrophobicContact CG1-CD1 4.35Å; V965-I983 CarbonylContact O-C 3.54Å; V965-I983 VanDerWaalsContact O-CA 3.28Å; V965-I983 WeakPolarHBondContact O-CA 3.38Å; V965-L984 HydrophobicContact CB-CB 3.95Å; V965-L984 HydrophobicContact CG1-CB 4.46Å; V965-L984 PolarHBondContact O-N 3.16Å
966V92.8Very high72.3Confident2 Ų265.8 Ų65.81%0.01234%0.343CS..EExtended strand (participates in β ladder)trans-117.5130.9-168.8-172.70000110.3A641 L654 F656 L941 G942 V964 Y982A641-V966 HydrophobicContact CB-CB 4.11Å; A641-V966 HydrophobicContact CB-CG1 4.05Å; A641-V966 HydrophobicContact CB-CG2 4.37Å; L654-V966 HydrophobicContact CD1-CG1 4.44Å; L654-V966 HydrophobicContact CD1-CG2 4.28Å; L654-V966 HydrophobicContact CD2-CG2 3.84Å; F656-V966 HydrophobicContact CE1-CG1 3.85Å; L941-V966 HydrophobicContact CB-CB 4.48Å; L941-V966 HydrophobicContact CB-CG1 4.29Å; L941-V966 HydrophobicContact CD1-CG1 4.23Å; L941-V966 PolarHBondContact N-O 2.96Å; G942-V966 PolarHBondContact N-O 2.84Å; G942-V966 PolarHBondContact O-N 3.37Å; V964-V966 HydrophobicContact CG1-CG2 4.04Å; V966-Y982 WeakPolarHBondContact CA-O 3.16Å
967L94Very high74.8Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-126151.5179.8-60.996.8000111.8F627 F912 F938 R939 V965 L981 Y982F627-L967 HydrophobicContact CD1-CD1 4.04Å; F627-L967 HydrophobicContact CE1-CD1 3.9Å; F627-L967 HydrophobicContact CE1-CD2 3.88Å; F627-L967 HydrophobicContact CE2-CD2 4.49Å; F627-L967 HydrophobicContact CZ-CD2 3.83Å; F912-L967 HydrophobicContact CD1-CD2 3.77Å; F912-L967 HydrophobicContact CE1-CD1 4.42Å; F912-L967 HydrophobicContact CE1-CD2 3.72Å; F912-L967 HydrophobicContact CE1-CG 4.45Å; F938-L967 HydrophobicContact CB-CD2 4.31Å; R939-L967 WeakPolarHBondContact O-CA 3.32Å; V965-L967 HydrophobicContact CG1-CD1 4.35Å; L967-L981 WeakPolarHBondContact O-CA 3.15Å; L967-Y982 PolarHBondContact N-O 3.1Å; L967-Y982 PolarHBondContact O-N 3.31Å
968E94.6Very high77.5Confident4 Ų455.4 Ų55.42%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-102.1152155.461.5170.1-17100111F938 R939 L941 R970 S979 N980 L981F938-E968 WeakPolarHBondContact CA-O 3.4Å; R939-E968 HydrophobicContact CB-CG 3.97Å; R939-E968 IonicContact CZ-OE1 2.75Å; R939-E968 VanDerWaalsContact CZ-OE1 3.23Å; R939-E968 PolarHBondContact N-O 3.17Å; R939-E968 IonicContact NE-OE1 3.71Å; R939-E968 PolarHBondContact NE-OE1 3.14Å; R939-E968 VanDerWaalsContact NH2-CD 3.3Å; R939-E968 IonicContact NH2-OE1 3.85Å; R939-E968 PolarHBondContact NH2-OE1 2.85Å; R939-E968 IonicContact NH2-OE2 2.88Å; R939-E968 PolarHBondContact O-N 2.95Å; L941-E968 HydrophobicContact CD1-CB 4Å; L941-E968 HydrophobicContact CD1-CG 4.43Å; L941-E968 HydrophobicContact CD2-CB 4.36Å; L941-E968 HydrophobicContact CD2-CG 3.88Å; L941-E968 HydrophobicContact CG-CB 4.21Å; L941-E968 HydrophobicContact CG-CG 4.14Å; E968-R970 IonicContact OE1-CZ 3.61Å; E968-R970 IonicContact OE1-NH1 3.3Å; E968-R970 PolarHBondContact OE1-NH1 3.09Å; E968-R970 IonicContact OE1-NH2 2.68Å; E968-R970 PolarHBondContact OE1-NH2 3.31Å; E968-R970 IonicContact OE2-CZ 2.73Å; E968-R970 IonicContact OE2-NH1 3.36Å; E968-R970 PolarHBondContact OE2-NH1 3.1Å; E968-R970 IonicContact OE2-NH2 2.75Å; E968-R970 PolarHBondContact OE2-NH2 2.91Å; E968-S979 PolarHBondContact OE2-OG 3.34Å; E968-N980 CarbonylContact C-O 3.59Å; E968-N980 VanDerWaalsContact CA-O 3.3Å; E968-N980 WeakPolarHBondContact CA-O 3.42Å; E968-L981 HydrophobicContact CB-CD2 4.04Å
969S94.3Very high80.3Confident0 Ų053.7 Ų53.70%029%0.287CS..EExtended strand (participates in β ladder)trans-130.5139.8165.193.30000112.1R936 I937 N980 Y982R936-S969 PolarHBondContact NH1-OG 2.94Å; I937-S969 CarbonylContact O-C 3.56Å; I937-S969 WeakPolarHBondContact O-CA 3.42Å; S969-N980 PolarHBondContact N-O 3.25Å; S969-N980 PolarHBondContact O-N 2.86Å; S969-Y982 VanDerWaalsContact OG-CE2 3.28Å; S969-Y982 WeakPolarHBondContact OG-CE2 3.47Å
970R92.7Very high82.9Confident58 Ų5846.8 Ų46.822%0.21926%0.262CS..EExtended strand (participates in β ladder)trans-118.2156.2165.3-62.4-175.4-175.5788.7110.3R936 I937 E968 P975 A977 S979R936-R970 CarbonylContact C-O 3.57Å; R936-R970 VanDerWaalsContact CA-O 3.28Å; R936-R970 WeakPolarHBondContact CA-O 3.2Å; I937-R970 PolarHBondContact N-O 2.87Å; I937-R970 PolarHBondContact O-N 3.49Å; E968-R970 IonicContact OE1-CZ 3.61Å; E968-R970 IonicContact OE1-NH1 3.3Å; E968-R970 PolarHBondContact OE1-NH1 3.09Å; E968-R970 IonicContact OE1-NH2 2.68Å; E968-R970 PolarHBondContact OE1-NH2 3.31Å; E968-R970 IonicContact OE2-CZ 2.73Å; E968-R970 IonicContact OE2-NH1 3.36Å; E968-R970 PolarHBondContact OE2-NH1 3.1Å; E968-R970 IonicContact OE2-NH2 2.75Å; E968-R970 PolarHBondContact OE2-NH2 2.91Å; R970-P975 WeakPolarHBondContact CD-O 3.48Å; R970-A977 VanDerWaalsContact CD-O 3.31Å; R970-A977 WeakPolarHBondContact CD-O 3.5Å; R970-A977 PolarHBondContact NE-O 3.38Å; R970-S979 PolarHBondContact NE-OG 3.4Å; R970-S979 PolarHBondContact NH2-OG 2.32Å
971P90.5Very high85.4Confident34 Ų3441.8 Ų41.822%0.22123%0.228CC..EExtended strand (participates in β ladder)trans-59.3144.1169.5-20.133.9000111.6D973 N974 A977P971-D973 WeakPolarHBondContact CB-OD1 3.46Å; P971-N974 HydrophobicContact CB-CB 4.42Å; P971-N974 CarbonylContact O-C 3.58Å; P971-N974 PolarHBondContact O-N 3.42Å; P971-A977 HydrophobicContact CG-CB 4.25Å
972T90.3Very high87.3Confident44 Ų4439.2 Ų39.227%0.2721%0.213SC..SBendtrans-69.9-33.9-179.9-63.70000112.5H915 N934 T935 R936H915-T972 PolarHBondContact CE1-OG1 2.91Å; N934-T972 WeakPolarHBondContact O-CB 3.49Å; N934-T972 PolarHBondContact O-OG1 3.18Å; T935-T972 VanDerWaalsContact C-OG1 3.22Å; T935-T972 PolarHBondContact O-N 2.88Å; T935-T972 PolarHBondContact O-OG1 2.96Å; R936-T972 VanDerWaalsContact C-OG1 3.27Å; R936-T972 WeakPolarHBondContact CA-OG1 3.47Å; R936-T972 PolarHBondContact N-OG1 3.33Å; R936-T972 PolarHBondContact O-OG1 3.48Å
973D89.6Confident88.8Confident145 Ų14539 Ų3978%0.77521%0.211SC*.SBendtrans-76.7-27.3177.260.2-24.3000113.2P971P971-D973 WeakPolarHBondContact CB-OD1 3.46Å
974N86.8Confident89.5Confident73 Ų7336.3 Ų36.339%0.3920%0.201SC..  trans-127.780.5176.1-170.6-8000112.9P971 T976 A977P971-N974 HydrophobicContact CB-CB 4.42Å; P971-N974 CarbonylContact O-C 3.58Å; P971-N974 PolarHBondContact O-N 3.42Å; N974-T976 PolarHBondContact O-N 3.08Å; N974-T976 PolarHBondContact OD1-N 2.84Å; N974-T976 PolarHBondContact OD1-OG1 2.24Å; N974-A977 HydrophobicContact CB-CB 4.31Å; N974-A977 WeakPolarHBondContact O-CB 3.24Å; N974-A977 PolarHBondContact O-N 2.97Å; N974-A977 PolarHBondContact OD1-N 3.49Å
975P78.6Confident89Confident72 Ų7235.7 Ų35.747%0.46820%0.198SC..THydrogen-bonded Turntrans-67.2-10.8179.9-21.934.6000115.5I937 R970I937-P975 HydrophobicContact CD1-CG 4.43Å; R970-P975 WeakPolarHBondContact CD-O 3.48Å
976T83.9Confident87.4Confident129 Ų12937.4 Ų37.479%0.79122%0.215SC*.THydrogen-bonded Turntrans-95.7-5177.355.20000113.2N974N974-T976 PolarHBondContact O-N 3.08Å; N974-T976 PolarHBondContact OD1-N 2.84Å; N974-T976 PolarHBondContact OD1-OG1 2.24Å
977A86.9Confident85.6Confident26 Ų2638.4 Ų38.422%0.21522%0.22CC..SBendtrans-62.8157.4174.900000112.8R970 P971 N974R970-A977 VanDerWaalsContact CD-O 3.31Å; R970-A977 WeakPolarHBondContact CD-O 3.5Å; R970-A977 PolarHBondContact NE-O 3.38Å; P971-A977 HydrophobicContact CG-CB 4.25Å; N974-A977 HydrophobicContact CB-CB 4.31Å; N974-A977 WeakPolarHBondContact O-CB 3.24Å; N974-A977 PolarHBondContact O-N 2.97Å; N974-A977 PolarHBondContact OD1-N 3.49Å
978H90.1Very high83.1Confident109 Ų10947.1 Ų47.151%0.50526%0.261SS..PPolyproline II helixtrans-59.9141.3176.3-62.9-30.2000112.4C634C634-H978 CarbonylContact O-C 3.56Å; C634-H978 WeakPolarHBondContact O-CB 3.45Å
979S90.1Very high80.5Confident1 Ų150.1 Ų50.11%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-74.6136.1-175.9-81.40000112.1C634 E968 R970C634-S979 WeakPolarHBondContact CA-O 3.34Å; C634-S979 WeakPolarHBondContact CB-O 3.21Å; C634-S979 PolarHBondContact N-O 3.31Å; C634-S979 PolarHBondContact O-N 3.14Å; E968-S979 PolarHBondContact OE2-OG 3.34Å; R970-S979 PolarHBondContact NE-OG 3.4Å; R970-S979 PolarHBondContact NH2-OG 2.32Å
980N92.8Very high77.7Confident15 Ų1550.6 Ų50.68%0.0828%0.28CS..EExtended strand (participates in β ladder)trans-91.9134.8164-63.8-67.2000109N632 G633 R936 E968 S969 Y982N632-N980 WeakPolarHBondContact CA-OD1 3.4Å; N632-N980 PolarHBondContact OD1-OD1 3.42Å; G633-N980 PolarHBondContact N-OD1 2.94Å; G633-N980 VanDerWaalsContact N-OD1 3.07Å; R936-N980 PolarHBondContact NH1-ND2 3.48Å; E968-N980 CarbonylContact C-O 3.59Å; E968-N980 VanDerWaalsContact CA-O 3.3Å; E968-N980 WeakPolarHBondContact CA-O 3.42Å; S969-N980 PolarHBondContact N-O 3.25Å; S969-N980 PolarHBondContact O-N 2.86Å; N980-Y982 HydrophobicContact CB-CD2 4.47Å; N980-Y982 HydrophobicContact CB-CE2 3.55Å; N980-Y982 WeakPolarHBondContact O-CD2 3.43Å; N980-Y982 WeakPolarHBondContact O-CE2 3.28Å
981L93.6Very high74.8Confident0 Ų053.4 Ų53.40%029%0.292CS..EExtended strand (participates in β ladder)trans-101.5138.6-178.7-49.6-178.1000110.5K629 V630 F631 C634 I638 F656 M675 L941 L967 E968K629-L981 CarbonylContact C-O 3.57Å; K629-L981 WeakPolarHBondContact CA-O 3.23Å; V630-L981 HydrophobicContact CG2-CB 4.09Å; V630-L981 PolarHBondContact N-O 2.75Å; F631-L981 HydrophobicContact CB-CB 3.85Å; F631-L981 HydrophobicContact CB-CD1 3.9Å; F631-L981 HydrophobicContact CB-CG 3.94Å; F631-L981 HydrophobicContact CG-CD1 4.35Å; F631-L981 PolarHBondContact N-O 3.22Å; F631-L981 PolarHBondContact O-N 3.04Å; C634-L981 HydrophobicContact CB-CD1 4.25Å; C634-L981 HydrophobicContact CB-CD2 4.36Å; C634-L981 HydrophobicContact CB-CG 4.14Å; I638-L981 HydrophobicContact CD1-CD1 3.89Å; I638-L981 HydrophobicContact CD1-CD2 3.71Å; I638-L981 HydrophobicContact CD1-CG 4.47Å; F656-L981 HydrophobicContact CE1-CD1 3.86Å; F656-L981 HydrophobicContact CE2-CD1 4.44Å; F656-L981 HydrophobicContact CZ-CD1 3.79Å; M675-L981 HydrophobicContact SD-CD1 3.89Å; L941-L981 HydrophobicContact CD1-CD2 3.98Å; L967-L981 WeakPolarHBondContact O-CA 3.15Å; E968-L981 HydrophobicContact CB-CD2 4.04Å
982Y91.2Very high74Confident15 Ų1554.4 Ų54.46%0.05930%0.295CS..EExtended strand (participates in β ladder)trans-133.8152.6-177.3-59.6-106.1000111.3F627 S628 K629 R936 V966 L967 S969 N980F627-Y982 HydrophobicContact CB-CD1 3.72Å; F627-Y982 HydrophobicContact CB-CE1 4.42Å; F627-Y982 HydrophobicContact CB-CG 4.21Å; S628-Y982 CarbonylContact O-C 3.57Å; S628-Y982 VanDerWaalsContact O-CA 3.24Å; S628-Y982 WeakPolarHBondContact O-CA 3.19Å; K629-Y982 HydrophobicContact CB-CD1 3.77Å; K629-Y982 HydrophobicContact CB-CE1 3.63Å; K629-Y982 WeakPolarHBondContact CE-OH 3.11Å; K629-Y982 HydrophobicContact CG-CD1 4.26Å; K629-Y982 HydrophobicContact CG-CE1 3.94Å; K629-Y982 HydrophobicContact CG-CE2 4.46Å; R936-Y982 PolarHBondContact NH1-OH 3.25Å; V966-Y982 WeakPolarHBondContact CA-O 3.16Å; L967-Y982 PolarHBondContact N-O 3.1Å; L967-Y982 PolarHBondContact O-N 3.31Å; S969-Y982 VanDerWaalsContact OG-CE2 3.28Å; S969-Y982 WeakPolarHBondContact OG-CE2 3.47Å; N980-Y982 HydrophobicContact CB-CD2 4.47Å; N980-Y982 HydrophobicContact CB-CE2 3.55Å; N980-Y982 WeakPolarHBondContact O-CD2 3.43Å; N980-Y982 WeakPolarHBondContact O-CE2 3.28Å
983I90.2Very high73.2Confident14 Ų1454.9 Ų54.97%0.07230%0.297CS..EExtended strand (participates in β ladder)trans-111.2147.5162.564.1179.3000109.9S628 V630 L654 V964 V965S628-I983 PolarHBondContact N-O 2.88Å; S628-I983 PolarHBondContact O-N 3.35Å; V630-I983 HydrophobicContact CG1-CD1 3.95Å; V630-I983 HydrophobicContact CG1-CG1 3.88Å; V630-I983 HydrophobicContact CG1-CG2 4.03Å; V630-I983 HydrophobicContact CG2-CG2 4.29Å; L654-I983 HydrophobicContact CD1-CG2 3.97Å; V964-I983 HydrophobicContact CG1-CB 4.2Å; V964-I983 HydrophobicContact CG1-CG2 3.81Å; V965-I983 CarbonylContact O-C 3.54Å; V965-I983 VanDerWaalsContact O-CA 3.28Å; V965-I983 WeakPolarHBondContact O-CA 3.38Å
984L84.9Confident72.2Confident5 Ų549.9 Ų49.93%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-78.7119.1168.2-171.964.1000109.5A625 F627 L910 I931 V965A625-L984 HydrophobicContact CB-CD1 3.91Å; A625-L984 HydrophobicContact CB-CG 4.36Å; F627-L984 HydrophobicContact CD1-CD1 3.87Å; F627-L984 HydrophobicContact CE1-CD1 3.98Å; L910-L984 HydrophobicContact CD1-CD2 3.35Å; I931-L984 HydrophobicContact CD1-CD1 4.37Å; V965-L984 HydrophobicContact CB-CB 3.95Å; V965-L984 HydrophobicContact CG1-CB 4.46Å; V965-L984 PolarHBondContact O-N 3.16Å
985A70.9Confident71.4Confident3 Ų348.6 Ų48.63%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-115.7156.5176.900000110.8A625 C626 S628A625-A985 CarbonylContact C-O 3.56Å; A625-A985 WeakPolarHBondContact CA-O 3.16Å; A625-A985 WeakPolarHBondContact CB-O 3.28Å; C626-A985 PolarHBondContact N-O 3.31Å; C626-A985 PolarHBondContact O-N 2.56Å; S628-A985 WeakPolarHBondContact OG-CB 3.41Å
986G57.2Low70.9Confident36 Ų3647.1 Ų47.137%0.37125%0.25SS..  trans89.58.4171.100000116.4
987H53.9Low70.1Confident24 Ų2441.7 Ų41.711%0.11121%0.214CC..  trans-91.2136.2163.5-155.9-63.5000109.1L905 Q929 N989 S990L905-H987 VanDerWaalsContact CD1-NE2 3.32Å; L905-H987 WeakPolarHBondContact CD1-NE2 3.16Å; Q929-H987 PolarHBondContact NE2-CD2 2.95Å; H987-N989 PolarHBondContact O-N 2.83Å; H987-S990 PolarHBondContact O-N 3.26Å
988E42Very low68.9Low183 Ų18342.8 Ų42.886%0.85521%0.214SC*.THydrogen-bonded Turntrans-63.1-10.9-178.2-63.8-172.1147.100114.1
989N39.9Very low67.2Low67 Ų6737.7 Ų37.736%0.35819%0.192SC..THydrogen-bonded Turntrans-104.910.9177.6-63.4-21.3000112.5H987H987-N989 PolarHBondContact O-N 2.83Å
990S35.5Very low65.3Low9 Ų940.8 Ų40.86%0.06321%0.207CC..  trans-120.713.9-179.2-65.60000113.1P962 R963 H987P962-S990 WeakPolarHBondContact CB-O 3.41Å; R963-S990 PolarHBondContact O-OG 3.4Å; H987-S990 PolarHBondContact O-N 3.26Å
991Y32Very low62.8Low118 Ų11843.1 Ų43.146%0.46322%0.218SC..  trans-124.80176.3-85.2-62.9000112.8L615 P962L615-Y991 HydrophobicContact CD1-CE1 3.88Å; P962-Y991 WeakPolarHBondContact CD-OXT 3.42Å

Retrieved 991 of 991 residues in 854.5 ms (Link to these results)

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