A0A5K4FC74_SCHMA Loading...

Guanylate cyclase

AlphaFold DB , UniProt , Accession A0A5K4FC74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 960 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
1M43Very low55.7Low183 Ų183115.4 Ų115.490%0.90160%0.604SS**  0-53.50-146.4163.7156.300112.1T3 I4 I5M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.08Å; M1-I4 PolarHBondContact O-N 2.96Å; M1-I5 PolarHBondContact O-N 3.07Å
2N46.1Very low55.1Low130 Ų130112.9 Ų112.970%0.69559%0.592SS**Hα-helixtrans-58.2-30.7173.7-84.4-9.5000114.9K6N2-K6 PolarHBondContact O-N 3.23Å; N2-K6 VanDerWaalsContact O-N 3.08Å
3T51.4Low54.7Low119 Ų119111.2 Ų111.273%0.7358%0.582SS**Hα-helixtrans-69.4-32.4174.8-5.30000113M1 G7M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 3.08Å; T3-G7 PolarHBondContact O-N 3.2Å
4I61.6Low54Low118 Ų118114 Ų11461%0.60559%0.588SS**Hα-helixtrans-75-39.3178.6-60173000109.8M1 G7 F8M1-I4 PolarHBondContact O-N 2.96Å; I4-G7 PolarHBondContact O-N 3.26Å; I4-F8 PolarHBondContact O-N 3.05Å
5I62Low53.2Low86 Ų86112.1 Ų112.144%0.44158%0.579SS.*Hα-helixtrans-67-41.9176.8-62.1170.2000110.9M1 G7 F8 I9M1-I5 PolarHBondContact O-N 3.07Å; I5-G7 VanDerWaalsContact C-N 3.31Å; I5-G7 PolarHBondContact O-N 3.01Å; I5-F8 PolarHBondContact O-N 2.9Å; I5-I9 HydrophobicContact CG2-CD1 3.9Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.45Å
6K54.5Low52.7Low152 Ų152109.9 Ų109.966%0.66157%0.572SS**Hα-helixtrans-62.2-38.8172.5-78.6-172.8176.3-174.70112.1N2 L10N2-K6 PolarHBondContact O-N 3.23Å; N2-K6 VanDerWaalsContact O-N 3.08Å; K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 PolarHBondContact O-N 3Å
7G56.5Low51.9Low41 Ų41112.9 Ų112.942%0.42358%0.575SS.*Hα-helixtrans-61.2-41.9173.800000112.9T3 I4 I5 L11T3-G7 PolarHBondContact O-N 3.2Å; I4-G7 PolarHBondContact O-N 3.26Å; I5-G7 VanDerWaalsContact C-N 3.31Å; I5-G7 PolarHBondContact O-N 3.01Å; G7-L11 VanDerWaalsContact O-CB 3.29Å; G7-L11 WeakPolarHBondContact O-CB 3.29Å; G7-L11 PolarHBondContact O-N 3.25Å
8F61.8Low51.4Low129 Ų129111.3 Ų111.357%0.56658%0.576SS**Hα-helixtrans-71.2-37.6179.8-119.8-87.3000113.4I4 I5 N12I4-F8 PolarHBondContact O-N 3.05Å; I5-F8 PolarHBondContact O-N 2.9Å; F8-N12 WeakPolarHBondContact O-CB 3.36Å; F8-N12 PolarHBondContact O-N 2.87Å; F8-N12 PolarHBondContact O-ND2 3.45Å
9I62.7Low50.9Low99 Ų99116.6 Ų116.651%0.50859%0.587SS.*Hα-helixtrans-70.2-42.2176.6-66.2169.2000110.3I5 N12 L13I5-I9 HydrophobicContact CG2-CD1 3.9Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.45Å; I9-N12 PolarHBondContact O-N 3.49Å; I9-L13 HydrophobicContact CG2-CD1 3.88Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 2.96Å
10L56.9Low50.6Low111 Ų111118.1 Ų118.158%0.58159%0.587SS**Hα-helixtrans-63.6-41.1173.9-95.9148.2000111.8K6 L13 F14K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 PolarHBondContact O-N 3Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-F14 WeakPolarHBondContact O-CB 3.33Å; L10-F14 PolarHBondContact O-N 2.8Å
11L55.8Low50.4Low101 Ų101116.5 Ų116.553%0.52959%0.586SS.*Hα-helixtrans-66.1-41.8177.8-16283.7000111.7G7 F14 L15G7-L11 VanDerWaalsContact O-CB 3.29Å; G7-L11 WeakPolarHBondContact O-CB 3.29Å; G7-L11 PolarHBondContact O-N 3.25Å; L11-F14 PolarHBondContact O-N 2.83Å; L11-L15 HydrophobicContact CD2-CD1 4.23Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.3Å; L11-L15 PolarHBondContact O-N 2.79Å
12N49.4Very low51.2Low86 Ų86112.9 Ų112.946%0.4656%0.563SS.*Hα-helixtrans-69.9-38.4176.5-84.9-35.5000112.3F8 I9 F14 L15 V16F8-N12 WeakPolarHBondContact O-CB 3.36Å; F8-N12 PolarHBondContact O-N 2.87Å; F8-N12 PolarHBondContact O-ND2 3.45Å; I9-N12 PolarHBondContact O-N 3.49Å; N12-F14 VanDerWaalsContact C-N 3.35Å; N12-L15 PolarHBondContact O-N 3.45Å; N12-V16 WeakPolarHBondContact O-CB 3.34Å; N12-V16 WeakPolarHBondContact O-CG2 3.39Å; N12-V16 PolarHBondContact O-N 2.81Å
13L49.6Very low52.4Low90 Ų90109.4 Ų109.447%0.47155%0.549SS..Hα-helixtrans-64-41.1171.3-90.7154.4000111.1I9 L10 V16 Y17I9-L13 HydrophobicContact CG2-CD1 3.88Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 2.96Å; L10-L13 PolarHBondContact O-N 3.36Å; L13-V16 PolarHBondContact O-N 3.46Å; L13-Y17 HydrophobicContact CD2-CD2 4.22Å; L13-Y17 HydrophobicContact CD2-CE2 4.09Å; L13-Y17 VanDerWaalsContact O-CB 3.31Å; L13-Y17 WeakPolarHBondContact O-CB 3.31Å; L13-Y17 WeakPolarHBondContact O-CD2 3.15Å; L13-Y17 PolarHBondContact O-N 3.4Å
14F44.7Very low53.7Low151 Ų151104 Ų10466%0.66252%0.515SS*.Hα-helixtrans-65.2-39.3174.5-118.8-87.6000112.3L10 L11 N12 S18L10-F14 WeakPolarHBondContact O-CB 3.33Å; L10-F14 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 2.83Å; N12-F14 VanDerWaalsContact C-N 3.35Å; F14-S18 WeakPolarHBondContact O-CA 3.46Å; F14-S18 WeakPolarHBondContact O-CB 3.24Å; F14-S18 PolarHBondContact O-N 3.08Å
15L42.1Very low54.8Low85 Ų8599.2 Ų99.245%0.44549%0.49SS..Hα-helixtrans-71.2-33177.6-74.7167.9000112L11 N12 R19L11-L15 HydrophobicContact CD2-CD1 4.23Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.3Å; L11-L15 PolarHBondContact O-N 2.79Å; N12-L15 PolarHBondContact O-N 3.45Å; L15-R19 WeakPolarHBondContact O-CB 3.43Å; L15-R19 VanDerWaalsContact O-CG 3.24Å; L15-R19 WeakPolarHBondContact O-CG 3.19Å; L15-R19 PolarHBondContact O-N 3.38Å
16V45.4Very low56Low77 Ų7795.1 Ų95.147%0.46747%0.469SS..Hα-helixtrans-72.1-48.9172.9172.80000109.9N12 L13 S18 R19 Y20N12-V16 WeakPolarHBondContact O-CB 3.34Å; N12-V16 WeakPolarHBondContact O-CG2 3.39Å; N12-V16 PolarHBondContact O-N 2.81Å; L13-V16 PolarHBondContact O-N 3.46Å; V16-S18 PolarHBondContact O-N 2.79Å; V16-R19 PolarHBondContact O-N 3.36Å; V16-Y20 HydrophobicContact CG1-CD2 4.08Å; V16-Y20 HydrophobicContact CG1-CE2 4.04Å; V16-Y20 VanDerWaalsContact O-CD2 3.28Å; V16-Y20 WeakPolarHBondContact O-CD2 2.99Å; V16-Y20 PolarHBondContact O-N 3.17Å
17Y38.9Very low57.7Low162 Ų16288.2 Ų88.264%0.63544%0.44SS*.Hα-helixtrans-61.6-43176-95.1-85.6000112.6L13 R19 Y20 C21L13-Y17 HydrophobicContact CD2-CD2 4.22Å; L13-Y17 HydrophobicContact CD2-CE2 4.09Å; L13-Y17 VanDerWaalsContact O-CB 3.31Å; L13-Y17 WeakPolarHBondContact O-CB 3.31Å; L13-Y17 WeakPolarHBondContact O-CD2 3.15Å; L13-Y17 PolarHBondContact O-N 3.4Å; Y17-R19 VanDerWaalsContact C-N 3.27Å; Y17-R19 PolarHBondContact O-N 2.76Å; Y17-Y20 PolarHBondContact O-N 3.31Å; Y17-C21 PolarHBondContact O-N 3.3Å
18S42.4Very low59.2Low83 Ų8386.3 Ų86.358%0.5842%0.42SS*.Hα-helixtrans-65-28.4177.1169.50000113F14 V16F14-S18 WeakPolarHBondContact O-CA 3.46Å; F14-S18 WeakPolarHBondContact O-CB 3.24Å; F14-S18 PolarHBondContact O-N 3.08Å; V16-S18 PolarHBondContact O-N 2.79Å
19R41.6Very low60.4Low212 Ų21280.1 Ų80.180%0.839%0.393SS*.Hα-helixtrans-79.6-26.3178.1-82.7-179.1177.5-168.60.1113.2L15 V16 Y17L15-R19 WeakPolarHBondContact O-CB 3.43Å; L15-R19 VanDerWaalsContact O-CG 3.24Å; L15-R19 WeakPolarHBondContact O-CG 3.19Å; L15-R19 PolarHBondContact O-N 3.38Å; V16-R19 PolarHBondContact O-N 3.36Å; Y17-R19 VanDerWaalsContact C-N 3.27Å; Y17-R19 PolarHBondContact O-N 2.76Å
20Y45.8Very low61.5Low146 Ų14675.5 Ų75.557%0.57337%0.369SS*.Hα-helixtrans-85.8-25.8178.8-81.4-75.8000113.9V16 Y17 R22V16-Y20 HydrophobicContact CG1-CD2 4.08Å; V16-Y20 HydrophobicContact CG1-CE2 4.04Å; V16-Y20 VanDerWaalsContact O-CD2 3.28Å; V16-Y20 WeakPolarHBondContact O-CD2 2.99Å; V16-Y20 PolarHBondContact O-N 3.17Å; Y17-Y20 PolarHBondContact O-N 3.31Å; Y20-R22 PolarHBondContact O-N 3.28Å
21C46.1Very low62.6Low86 Ų8670.3 Ų70.358%0.58134%0.342SS*.  trans-88.960.4178.1-71.70000113.3Y17Y17-C21 PolarHBondContact O-N 3.3Å
22R60.9Low63.7Low107 Ų10770.3 Ų70.340%0.40434%0.339SS..  trans-91.2114.8167.9-151.9176.9-172.31684.5108.7Y20 Y59Y20-R22 PolarHBondContact O-N 3.28Å; R22-Y59 WeakPolarHBondContact O-CE2 3.34Å
23S70Confident64.7Low57 Ų5772.5 Ų72.540%0.39935%0.347SS..  trans-66130.2173.251.20000110H25S23-H25 PolarHBondContact OG-NE2 3.35Å; S23-H25 VanDerWaalsContact OG-NE2 3.16Å
24V79.2Confident66Low4 Ų469.5 Ų69.52%0.02433%0.33CS..EExtended strand (participates in β ladder)trans-88.4129.1175.7173.80000109L26 Y59 V60 T61 D95 L344 L348V24-L26 HydrophobicContact CG1-CD2 4.13Å; V24-Y59 HydrophobicContact CB-CE1 4.43Å; V24-Y59 HydrophobicContact CG2-CD1 4.07Å; V24-Y59 HydrophobicContact CG2-CE1 3.45Å; V24-Y59 VanDerWaalsContact CG2-CE1 3.45Å; V24-Y59 PolarHBondContact N-O 3.08Å; V24-V60 HydrophobicContact CB-CG2 4.34Å; V24-T61 PolarHBondContact O-N 3.26Å; V24-T61 PolarHBondContact O-OG1 3.37Å; V24-T61 VanDerWaalsContact O-OG1 3.13Å; V24-D95 WeakPolarHBondContact CA-OD2 3.4Å; V24-D95 HydrophobicContact CG1-CB 4.32Å; V24-L344 HydrophobicContact CG1-CD2 3.47Å; V24-L344 VanDerWaalsContact CG1-CD2 3.47Å; V24-L348 HydrophobicContact CG2-CD1 3.57Å
25H84.7Confident67.4Low19 Ų1965 Ų659%0.08832%0.317CS..EExtended strand (participates in β ladder)trans-107.9115.5178.4-66.2-71.1000110.7S23 T61 Y63 A91 P94 D95S23-H25 PolarHBondContact OG-NE2 3.35Å; S23-H25 VanDerWaalsContact OG-NE2 3.16Å; H25-T61 WeakPolarHBondContact CA-O 3.5Å; H25-T61 PolarHBondContact CE1-OG1 3.47Å; H25-T61 VanDerWaalsContact CE1-OG1 3.24Å; H25-T61 PolarHBondContact ND1-OG1 2.89Å; H25-Y63 AromaticContact ND1-CE2 3.73Å; H25-A91 PolarHBondContact CD2-O 2.85Å; H25-A91 PolarHBondContact NE2-O 3.49Å; H25-A91 VanDerWaalsContact NE2-O 3.11Å; H25-P94 CarbonylContact O-C 3.51Å; H25-P94 WeakPolarHBondContact O-CA 3.43Å; H25-D95 PolarHBondContact N-OD2 3.21Å; H25-D95 PolarHBondContact O-N 3.32Å
26L88Confident69.2Low0 Ų062.9 Ų62.90%030%0.304CS..EExtended strand (participates in β ladder)trans-100.4141.9173.3-55.7-179.7000110.2V24 I28 I45 V60 T61 A62 Y63 L96 L341 L344V24-L26 HydrophobicContact CG1-CD2 4.13Å; L26-I28 HydrophobicContact CB-CG1 4.48Å; L26-I45 HydrophobicContact CD1-CD1 4.36Å; L26-I45 HydrophobicContact CD1-CG1 4.12Å; L26-V60 HydrophobicContact CD1-CG1 3.45Å; L26-V60 VanDerWaalsContact CD1-CG1 3.45Å; L26-V60 HydrophobicContact CG-CG1 3.71Å; L26-T61 PolarHBondContact N-O 3.37Å; L26-A62 HydrophobicContact CB-CB 4.05Å; L26-A62 HydrophobicContact CD1-CB 4.46Å; L26-A62 CarbonylContact O-C 3.54Å; L26-A62 WeakPolarHBondContact O-CA 3.31Å; L26-Y63 PolarHBondContact O-N 3.23Å; L26-L96 HydrophobicContact CD2-CB 3.69Å; L26-L96 HydrophobicContact CD2-CD2 3.98Å; L26-L96 HydrophobicContact CD2-CG 4.2Å; L26-L341 HydrophobicContact CD1-CD1 4.43Å; L26-L341 HydrophobicContact CD1-CD2 3.83Å; L26-L341 HydrophobicContact CD1-CG 4.25Å; L26-L341 HydrophobicContact CD2-CD2 4.27Å; L26-L344 HydrophobicContact CD2-CD2 4.38Å
27V88.6Confident71.1Confident7 Ų759.2 Ų59.24%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-117124.3164.7166.80000107.7F29 Y63 I82 P94 L96 L97 I98V27-F29 HydrophobicContact CG1-CD2 4.38Å; V27-F29 HydrophobicContact CG1-CE1 4.15Å; V27-F29 HydrophobicContact CG1-CE2 3.82Å; V27-F29 HydrophobicContact CG1-CZ 3.72Å; V27-Y63 WeakPolarHBondContact CA-O 3.29Å; V27-I82 HydrophobicContact CG1-CD1 3.79Å; V27-I82 HydrophobicContact CG1-CG1 4.45Å; V27-P94 HydrophobicContact CB-CB 4.33Å; V27-P94 HydrophobicContact CG2-CB 3.69Å; V27-P94 HydrophobicContact CG2-CG 4.32Å; V27-L96 PolarHBondContact N-O 3.38Å; V27-L97 HydrophobicContact CB-CD2 3.57Å; V27-L97 HydrophobicContact CG1-CD2 3.93Å; V27-L97 HydrophobicContact CG2-CD2 4.22Å; V27-L97 CarbonylContact O-C 3.44Å; V27-L97 WeakPolarHBondContact O-CA 3.28Å; V27-I98 PolarHBondContact O-N 3.29Å
28I89.1Confident73.3Confident0 Ų053.1 Ų53.10%026%0.26CS..EExtended strand (participates in β ladder)trans-117.3119.1-177-54.1-173.6000108.4L26 L30 A41 I45 A62 Y63 F64 H65 I98 L100 V337L26-I28 HydrophobicContact CB-CG1 4.48Å; I28-L30 HydrophobicContact CG2-CD2 4.39Å; I28-L30 HydrophobicContact CG2-CG 4.19Å; I28-A41 HydrophobicContact CD1-CB 4.12Å; I28-I45 HydrophobicContact CD1-CD1 3.87Å; I28-A62 HydrophobicContact CD1-CB 4.3Å; I28-Y63 PolarHBondContact N-O 3.29Å; I28-F64 HydrophobicContact CB-CD1 3.87Å; I28-F64 HydrophobicContact CB-CE1 4.07Å; I28-F64 HydrophobicContact CD1-CD1 4.4Å; I28-F64 HydrophobicContact CD1-CE1 3.73Å; I28-F64 HydrophobicContact CD1-CZ 4.25Å; I28-F64 HydrophobicContact CG1-CE1 4.35Å; I28-F64 HydrophobicContact CG2-CD1 4.16Å; I28-F64 HydrophobicContact CG2-CE1 4.24Å; I28-F64 WeakPolarHBondContact O-CA 3.31Å; I28-H65 PolarHBondContact O-N 3.41Å; I28-I98 CarbonylContact C-O 3.5Å; I28-I98 WeakPolarHBondContact CA-O 3.43Å; I28-I98 HydrophobicContact CB-CB 4.45Å; I28-I98 HydrophobicContact CD1-CD1 4.13Å; I28-I98 HydrophobicContact CG1-CB 4.07Å; I28-I98 HydrophobicContact CG1-CD1 4.12Å; I28-I98 HydrophobicContact CG1-CG1 4.2Å; I28-I98 HydrophobicContact CG2-CB 4.3Å; I28-I98 HydrophobicContact CG2-CG2 4.42Å; I28-L100 HydrophobicContact CG2-CD1 3.48Å; I28-L100 VanDerWaalsContact CG2-CD1 3.48Å; I28-L100 HydrophobicContact CG2-CG 4.09Å; I28-V337 HydrophobicContact CD1-CG2 4.34Å
29F87.3Confident75.5Confident0 Ų051.1 Ų51.10%024%0.243CC..EExtended strand (participates in β ladder)trans-90.7122.6174.3-60.7-75.3000109.4V27 H65 I67 I82 L97 I98 L100 T101 I110 L113V27-F29 HydrophobicContact CG1-CD2 4.38Å; V27-F29 HydrophobicContact CG1-CE1 4.15Å; V27-F29 HydrophobicContact CG1-CE2 3.82Å; V27-F29 HydrophobicContact CG1-CZ 3.72Å; F29-H65 WeakPolarHBondContact CA-O 3.32Å; F29-H65 HydrophobicContact CD1-CB 3.76Å; F29-H65 HydrophobicContact CE1-CB 4.08Å; F29-I67 HydrophobicContact CB-CD1 3.95Å; F29-I67 HydrophobicContact CD1-CD1 3.39Å; F29-I67 HydrophobicContact CD1-CG1 4.09Å; F29-I67 HydrophobicContact CE1-CD1 4.14Å; F29-I67 HydrophobicContact CG-CD1 3.96Å; F29-I82 HydrophobicContact CE1-CD1 3.63Å; F29-I82 HydrophobicContact CZ-CD1 3.42Å; F29-I82 VanDerWaalsContact CZ-CD1 3.42Å; F29-L97 HydrophobicContact CE2-CB 4.33Å; F29-L97 HydrophobicContact CE2-CD1 4.41Å; F29-L97 HydrophobicContact CE2-CD2 4.31Å; F29-I98 PolarHBondContact N-O 2.83Å; F29-L100 VanDerWaalsContact O-CB 3.31Å; F29-L100 WeakPolarHBondContact O-CB 3.47Å; F29-L100 PolarHBondContact O-N 3.23Å; F29-T101 HydrophobicContact CB-CG2 4.21Å; F29-I110 HydrophobicContact CB-CD1 4.13Å; F29-I110 HydrophobicContact CD1-CD1 4.41Å; F29-I110 HydrophobicContact CD2-CD1 3.79Å; F29-I110 HydrophobicContact CD2-CG1 4.2Å; F29-I110 HydrophobicContact CD2-CG2 3.79Å; F29-I110 HydrophobicContact CE2-CB 4.46Å; F29-I110 HydrophobicContact CE2-CD1 4.25Å; F29-I110 HydrophobicContact CE2-CG1 4.14Å; F29-I110 HydrophobicContact CE2-CG2 3.49Å; F29-I110 VanDerWaalsContact CE2-CG2 3.49Å; F29-I110 HydrophobicContact CG-CD1 3.85Å; F29-I110 HydrophobicContact CZ-CG1 4.39Å; F29-I110 HydrophobicContact CZ-CG2 4.32Å; F29-L113 HydrophobicContact CZ-CD2 4.44Å
30L85.7Confident77.7Confident2 Ų241 Ų411%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-120.4142.7-178.7-71.2166.7000109.9I28 L37 N38 F64 H65 R66 I67 L100I28-L30 HydrophobicContact CG2-CD2 4.39Å; I28-L30 HydrophobicContact CG2-CG 4.19Å; L30-L37 HydrophobicContact CD2-CB 3.74Å; L30-N38 HydrophobicContact CD1-CB 3.84Å; L30-F64 HydrophobicContact CD1-CB 4.34Å; L30-F64 HydrophobicContact CD1-CD1 3.55Å; L30-F64 HydrophobicContact CD1-CE1 4.29Å; L30-F64 HydrophobicContact CD1-CG 4.32Å; L30-F64 HydrophobicContact CG-CD1 4.44Å; L30-H65 PolarHBondContact N-O 2.85Å; L30-R66 CarbonylContact O-C 3.59Å; L30-R66 WeakPolarHBondContact O-CA 3.19Å; L30-I67 PolarHBondContact O-N 3.44Å; L30-L100 HydrophobicContact CD2-CB 4.24Å; L30-L100 HydrophobicContact CD2-CD1 3.57Å
31P80.1Confident79.7Confident2 Ų234 Ų341%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-61.1135.1165.527.2-36.1000110.6E33 Q34 L37 H69P31-E33 VanDerWaalsContact C-N 3.28Å; P31-E33 PolarHBondContact O-N 3.16Å; P31-Q34 HydrophobicContact CB-CG 4.49Å; P31-Q34 HydrophobicContact CG-CB 3.8Å; P31-Q34 HydrophobicContact CG-CG 4.1Å; P31-Q34 PolarHBondContact O-N 3.26Å; P31-L37 HydrophobicContact CG-CD1 3.93Å; P31-H69 WeakPolarHBondContact CA-NE2 3.44Å; P31-H69 WeakPolarHBondContact CB-NE2 3.43Å
32E77.4Confident81.7Confident100 Ų10032.9 Ų32.947%0.46716%0.163SC..SBendtrans-61.5-37.1179.5-172.1169.4-16900112.4Q34 R66 I67 N68E32-Q34 VanDerWaalsContact C-N 3.35Å; E32-Q34 PolarHBondContact O-N 3.23Å; E32-R66 HydrophobicContact CB-CB 4.46Å; E32-I67 PolarHBondContact N-O 2.93Å; E32-N68 WeakPolarHBondContact OE2-CB 3.36Å
33E70.7Confident83Confident133 Ų13328.4 Ų28.462%0.62115%0.147SC*.THydrogen-bonded Turntrans-67.1-32.2-179.4-62.9177.8178.300113.3P31 S35P31-E33 VanDerWaalsContact C-N 3.28Å; P31-E33 PolarHBondContact O-N 3.16Å; E33-S35 PolarHBondContact O-N 3.45Å
34Q77.2Confident83.8Confident26 Ų2625.8 Ų25.812%0.12113%0.129CC..THydrogen-bonded Turntrans-106.252.2-174-47.5178.4-7.900110.4P31 E32 Y36 L37P31-Q34 HydrophobicContact CB-CG 4.49Å; P31-Q34 HydrophobicContact CG-CB 3.8Å; P31-Q34 HydrophobicContact CG-CG 4.1Å; P31-Q34 PolarHBondContact O-N 3.26Å; E32-Q34 VanDerWaalsContact C-N 3.35Å; E32-Q34 PolarHBondContact O-N 3.23Å; Q34-Y36 HydrophobicContact CB-CD1 4.24Å; Q34-Y36 HydrophobicContact CB-CE1 3.59Å; Q34-Y36 HydrophobicContact CG-CE1 4.16Å; Q34-Y36 PolarHBondContact O-N 3.43Å; Q34-L37 HydrophobicContact CB-CD1 3.73Å; Q34-L37 HydrophobicContact CB-CG 3.95Å; Q34-L37 WeakPolarHBondContact O-CB 3.47Å; Q34-L37 WeakPolarHBondContact O-CG 3.4Å; Q34-L37 PolarHBondContact O-N 3.42Å
35S73.6Confident84.2Confident56 Ų5626 Ų2639%0.39213%0.13SC..THydrogen-bonded Turntrans-54.2-28.8-176.461.50000113.8E33 L37 N38E33-S35 PolarHBondContact O-N 3.45Å; S35-L37 PolarHBondContact O-N 3.25Å; S35-L37 VanDerWaalsContact O-N 3.17Å; S35-N38 WeakPolarHBondContact O-CB 3.44Å; S35-N38 PolarHBondContact O-N 3.21Å; S35-N38 VanDerWaalsContact O-N 3.16Å; S35-N38 PolarHBondContact O-OD1 3.05Å
36Y81.4Confident84.2Confident41 Ų4128.1 Ų28.116%0.16114%0.142CC..THydrogen-bonded Turntrans-60.6-19.7177.265.7-94.9000114.7Q34 N38 L39 F325 K326Q34-Y36 HydrophobicContact CB-CD1 4.24Å; Q34-Y36 HydrophobicContact CB-CE1 3.59Å; Q34-Y36 HydrophobicContact CG-CE1 4.16Å; Q34-Y36 PolarHBondContact O-N 3.43Å; Y36-N38 PolarHBondContact O-N 2.98Å; Y36-L39 WeakPolarHBondContact O-CB 3.21Å; Y36-L39 PolarHBondContact O-N 3.38Å; Y36-F325 AromaticContact CD2-CD2 3.8Å; Y36-F325 HydrophobicContact CD2-CD2 3.8Å; Y36-F325 AromaticContact CD2-CE2 3.25Å; Y36-F325 HydrophobicContact CD2-CE2 3.25Å; Y36-F325 HydrophobicContact CD2-CZ 4.17Å; Y36-F325 HydrophobicContact CE2-CD2 4.07Å; Y36-F325 AromaticContact CE2-CE2 3.74Å; Y36-F325 HydrophobicContact CE2-CE2 3.74Å; Y36-F325 HydrophobicContact CE2-CZ 4.48Å; Y36-F325 HydrophobicContact CG-CD2 4.12Å; Y36-F325 AromaticContact CG-CE2 3.85Å; Y36-F325 HydrophobicContact CG-CE2 3.85Å; Y36-K326 WeakPolarHBondContact OH-CB 3.36Å
37L84.3Confident84Confident0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-67-19.7177.2-64.6-179.7000112.3L30 P31 Q34 S35 L39 A40 A41 I329 A330 V333L30-L37 HydrophobicContact CD2-CB 3.74Å; P31-L37 HydrophobicContact CG-CD1 3.93Å; Q34-L37 HydrophobicContact CB-CD1 3.73Å; Q34-L37 HydrophobicContact CB-CG 3.95Å; Q34-L37 WeakPolarHBondContact O-CB 3.47Å; Q34-L37 WeakPolarHBondContact O-CG 3.4Å; Q34-L37 PolarHBondContact O-N 3.42Å; S35-L37 PolarHBondContact O-N 3.25Å; S35-L37 VanDerWaalsContact O-N 3.17Å; L37-L39 PolarHBondContact O-N 2.9Å; L37-A40 PolarHBondContact O-N 3.27Å; L37-A41 PolarHBondContact O-N 2.89Å; L37-A41 VanDerWaalsContact O-N 3.16Å; L37-I329 HydrophobicContact CD1-CG2 4.14Å; L37-I329 HydrophobicContact CD2-CG2 3.84Å; L37-A330 HydrophobicContact CD2-CB 4.46Å; L37-V333 HydrophobicContact CB-CG2 4.39Å; L37-V333 HydrophobicContact CD1-CG2 4.06Å; L37-V333 HydrophobicContact CD2-CB 4.39Å; L37-V333 HydrophobicContact CD2-CG2 3.86Å; L37-V333 HydrophobicContact CG-CG2 4.32Å
38N86.3Confident83.5Confident35 Ų3533 Ų3319%0.18716%0.16CC..Hα-helixtrans-58.9-37.9172.874.2-29.4000111.7L30 S35 Y36 A40 A41 E42L30-N38 HydrophobicContact CD1-CB 3.84Å; S35-N38 WeakPolarHBondContact O-CB 3.44Å; S35-N38 PolarHBondContact O-N 3.21Å; S35-N38 VanDerWaalsContact O-N 3.16Å; S35-N38 PolarHBondContact O-OD1 3.05Å; Y36-N38 PolarHBondContact O-N 2.98Å; N38-A40 PolarHBondContact O-N 2.97Å; N38-A41 PolarHBondContact O-N 3.36Å; N38-E42 WeakPolarHBondContact O-CB 3.2Å; N38-E42 VanDerWaalsContact O-CG 3.29Å; N38-E42 WeakPolarHBondContact O-CG 3.29Å; N38-E42 PolarHBondContact O-N 3.19Å
39L87.9Confident82.9Confident40 Ų4034.3 Ų34.321%0.20917%0.167CC..Hα-helixtrans-62.8-43.8179.4-66.7171.4000111Y36 L37 E42 L43 Y315 I319Y36-L39 WeakPolarHBondContact O-CB 3.21Å; Y36-L39 PolarHBondContact O-N 3.38Å; L37-L39 PolarHBondContact O-N 2.9Å; L39-E42 PolarHBondContact O-N 3.47Å; L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.21Å; L39-Y315 HydrophobicContact CB-CD1 4.33Å; L39-Y315 HydrophobicContact CB-CE1 4Å; L39-Y315 HydrophobicContact CD2-CE1 4.08Å; L39-Y315 VanDerWaalsContact O-CE1 3.26Å; L39-Y315 WeakPolarHBondContact O-CE1 3.27Å; L39-I319 HydrophobicContact CD1-CD1 4.03Å
40A87.2Confident81.7Confident0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-64.1-41.8178.500000111.5L37 N38 A44 A330 V333L37-A40 PolarHBondContact O-N 3.27Å; N38-A40 PolarHBondContact O-N 2.97Å; A40-A44 PolarHBondContact O-N 3.22Å; A40-A44 VanDerWaalsContact O-N 3.16Å; A40-A330 WeakPolarHBondContact CB-O 3.47Å; A40-V333 HydrophobicContact CB-CB 4.3Å; A40-V333 HydrophobicContact CB-CG1 3.89Å
41A87.6Confident80.5Confident0 Ų044.3 Ų44.30%022%0.22CC..Hα-helixtrans-67.2-45.8176.200000112.4I28 L37 N38 L43 A44 I45 F64 V333 V337I28-A41 HydrophobicContact CD1-CB 4.12Å; L37-A41 PolarHBondContact O-N 2.89Å; L37-A41 VanDerWaalsContact O-N 3.16Å; N38-A41 PolarHBondContact O-N 3.36Å; A41-L43 VanDerWaalsContact C-N 3.32Å; A41-L43 PolarHBondContact O-N 3.46Å; A41-A44 PolarHBondContact O-N 3.44Å; A41-I45 WeakPolarHBondContact O-CD1 3.16Å; A41-I45 VanDerWaalsContact O-CG1 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.44Å; A41-I45 PolarHBondContact O-N 3Å; A41-F64 HydrophobicContact CB-CE1 3.77Å; A41-F64 HydrophobicContact CB-CZ 4.32Å; A41-V333 HydrophobicContact CB-CG1 4.26Å; A41-V337 HydrophobicContact CB-CG2 3.92Å
42E88.4Confident79.5Confident62 Ų6246.5 Ų46.529%0.2923%0.23SC..Hα-helixtrans-60.3-41.5176.3-76.8176.5-170.300112N38 L39 I45 N46 F64N38-E42 WeakPolarHBondContact O-CB 3.2Å; N38-E42 VanDerWaalsContact O-CG 3.29Å; N38-E42 WeakPolarHBondContact O-CG 3.29Å; N38-E42 PolarHBondContact O-N 3.19Å; L39-E42 PolarHBondContact O-N 3.47Å; E42-I45 PolarHBondContact O-N 3.47Å; E42-N46 WeakPolarHBondContact O-CB 3.49Å; E42-N46 VanDerWaalsContact O-CG 3.24Å; E42-N46 PolarHBondContact O-N 3.3Å; E42-N46 PolarHBondContact O-ND2 3.4Å; E42-F64 HydrophobicContact CG-CE2 3.87Å; E42-F64 HydrophobicContact CG-CZ 3.63Å
43L88.7Confident78.3Confident12 Ų1248.5 Ų48.56%0.06324%0.244CC..Hα-helixtrans-60.6-46.3176.4-17860.1000111.6L39 A41 I45 N46 R47 M311 I312 Y315 Y334L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.21Å; A41-L43 VanDerWaalsContact C-N 3.32Å; A41-L43 PolarHBondContact O-N 3.46Å; L43-I45 VanDerWaalsContact C-N 3.32Å; L43-I45 PolarHBondContact O-N 2.97Å; L43-N46 PolarHBondContact O-N 2.98Å; L43-R47 VanDerWaalsContact O-CB 3.29Å; L43-R47 WeakPolarHBondContact O-CB 3.3Å; L43-R47 PolarHBondContact O-N 3.22Å; L43-M311 HydrophobicContact CD1-SD 3.65Å; L43-M311 HydrophobicContact CD2-SD 4Å; L43-M311 HydrophobicContact CG-SD 3.99Å; L43-I312 HydrophobicContact CD2-CB 4.11Å; L43-I312 HydrophobicContact CD2-CG1 3.67Å; L43-I312 HydrophobicContact CD2-CG2 4.37Å; L43-Y315 HydrophobicContact CB-CD1 3.84Å; L43-Y315 HydrophobicContact CB-CE1 3.89Å; L43-Y315 HydrophobicContact CB-CG 4.25Å; L43-Y315 HydrophobicContact CD1-CD1 4.16Å; L43-Y315 HydrophobicContact CD1-CD2 3.6Å; L43-Y315 HydrophobicContact CD1-CE2 3.98Å; L43-Y315 HydrophobicContact CD1-CG 3.68Å; L43-Y315 HydrophobicContact CD2-CD1 4.01Å; L43-Y315 HydrophobicContact CD2-CG 3.88Å; L43-Y315 HydrophobicContact CG-CD1 4.23Å; L43-Y315 HydrophobicContact CG-CG 4.15Å; L43-Y334 HydrophobicContact CB-CD2 4.43Å; L43-Y334 HydrophobicContact CD2-CD2 4.24Å; L43-Y334 HydrophobicContact CD2-CE2 4.18Å; L43-Y334 HydrophobicContact CG-CD2 4.3Å; L43-Y334 HydrophobicContact CG-CE2 4.04Å
44A87.3Confident77.1Confident2 Ų250 Ų502%0.01726%0.256CS..Hα-helixtrans-60.4-42.1177.300000111.8A40 A41 H48 Y334 V337 K338A40-A44 PolarHBondContact O-N 3.22Å; A40-A44 VanDerWaalsContact O-N 3.16Å; A41-A44 PolarHBondContact O-N 3.44Å; A44-H48 PolarHBondContact O-N 2.63Å; A44-Y334 HydrophobicContact CB-CD2 3.72Å; A44-Y334 HydrophobicContact CB-CE2 3.94Å; A44-Y334 HydrophobicContact CB-CG 4.44Å; A44-V337 HydrophobicContact CB-CB 3.83Å; A44-V337 HydrophobicContact CB-CG1 3.67Å; A44-K338 HydrophobicContact CB-CB 4.42Å
45I86.8Confident75.5Confident9 Ų952.4 Ų52.45%0.04627%0.268CS..Hα-helixtrans-65.8-49177.5-65.5157.3000111.3L26 I28 A41 E42 L43 R47 H48 N49 V60 A62 F64 V337 L341L26-I45 HydrophobicContact CD1-CD1 4.36Å; L26-I45 HydrophobicContact CD1-CG1 4.12Å; I28-I45 HydrophobicContact CD1-CD1 3.87Å; A41-I45 WeakPolarHBondContact O-CD1 3.16Å; A41-I45 VanDerWaalsContact O-CG1 3.3Å; A41-I45 WeakPolarHBondContact O-CG1 3.44Å; A41-I45 PolarHBondContact O-N 3Å; E42-I45 PolarHBondContact O-N 3.47Å; L43-I45 VanDerWaalsContact C-N 3.32Å; L43-I45 PolarHBondContact O-N 2.97Å; I45-R47 VanDerWaalsContact C-N 3.28Å; I45-R47 PolarHBondContact O-N 3.03Å; I45-H48 WeakPolarHBondContact O-CB 3.28Å; I45-H48 PolarHBondContact O-N 2.99Å; I45-N49 PolarHBondContact O-N 3.14Å; I45-V60 HydrophobicContact CG2-CB 4.12Å; I45-V60 HydrophobicContact CG2-CG1 3.92Å; I45-A62 HydrophobicContact CD1-CB 3.43Å; I45-A62 VanDerWaalsContact CD1-CB 3.43Å; I45-F64 HydrophobicContact CD1-CZ 4.1Å; I45-V337 HydrophobicContact CG1-CG1 3.93Å; I45-L341 HydrophobicContact CG1-CD1 4.12Å
46N85Confident74.2Confident64 Ų6455.6 Ų55.634%0.34229%0.291SS..Hα-helixtrans-61-40.5179.4-73.5-27.5000111.1E42 L43 N49 L50E42-N46 WeakPolarHBondContact O-CB 3.49Å; E42-N46 VanDerWaalsContact O-CG 3.24Å; E42-N46 PolarHBondContact O-N 3.3Å; E42-N46 PolarHBondContact O-ND2 3.4Å; L43-N46 PolarHBondContact O-N 2.98Å; N46-N49 PolarHBondContact O-N 3.39Å; N46-L50 VanDerWaalsContact O-CG 3.31Å; N46-L50 WeakPolarHBondContact O-CG 3.42Å; N46-L50 PolarHBondContact O-N 3.23Å
47R82.8Confident72.7Confident91 Ų9160.2 Ų60.234%0.34332%0.318SS..Hα-helixtrans-64.1-41176.6-175.258.6176148-1.6112L43 I45 L50 L51 M311L43-R47 VanDerWaalsContact O-CB 3.29Å; L43-R47 WeakPolarHBondContact O-CB 3.3Å; L43-R47 PolarHBondContact O-N 3.22Å; I45-R47 VanDerWaalsContact C-N 3.28Å; I45-R47 PolarHBondContact O-N 3.03Å; R47-L50 PolarHBondContact O-N 3.19Å; R47-L51 WeakPolarHBondContact O-CG 3.29Å; R47-L51 PolarHBondContact O-N 2.93Å; R47-M311 HydrophobicContact CG-CE 4.19Å
48H79.6Confident71.2Confident17 Ų1768 Ų688%0.07935%0.352CS..Hα-helixtrans-62.8-45.5175.5-171.278.9000111.9A44 I45 L50 L51 L341A44-H48 PolarHBondContact O-N 2.63Å; I45-H48 WeakPolarHBondContact O-CB 3.28Å; I45-H48 PolarHBondContact O-N 2.99Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-L50 PolarHBondContact O-N 3.39Å; H48-L51 PolarHBondContact O-N 3.32Å; H48-L341 HydrophobicContact CB-CD1 3.8Å
49N76.2Confident70.4Confident29 Ų2967.8 Ų67.816%0.15535%0.349CS..Hα-helixtrans-60.9-40.4176.6-73.9-28.7000112.2I45 N46 L51 Q52 V60I45-N49 PolarHBondContact O-N 3.14Å; N46-N49 PolarHBondContact O-N 3.39Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-L51 PolarHBondContact O-N 3.07Å; N49-Q52 PolarHBondContact O-N 2.92Å; N49-V60 WeakPolarHBondContact OD1-CB 3.26Å; N49-V60 WeakPolarHBondContact OD1-CG2 3.43Å; N49-V60 PolarHBondContact OD1-N 3.32Å; N49-V60 VanDerWaalsContact OD1-N 3.16Å
50L62Low70Confident102 Ų10266.1 Ų66.153%0.53434%0.34SS..Hα-helixtrans-66-30.7177.6-75.1165.6000113.7N46 R47 H48 Q52N46-L50 VanDerWaalsContact O-CG 3.31Å; N46-L50 WeakPolarHBondContact O-CG 3.42Å; N46-L50 PolarHBondContact O-N 3.23Å; R47-L50 PolarHBondContact O-N 3.19Å; H48-L50 VanDerWaalsContact C-N 3.34Å; H48-L50 PolarHBondContact O-N 3.39Å; L50-Q52 PolarHBondContact O-N 3.28Å
51L60.5Low69.7Low110 Ų11068.2 Ų68.258%0.57635%0.353SS*.Hα-helixtrans-72.4-16.3177.5-71.5167.8000112.4R47 H48 N49 D53R47-L51 WeakPolarHBondContact O-CG 3.29Å; R47-L51 PolarHBondContact O-N 2.93Å; H48-L51 PolarHBondContact O-N 3.32Å; N49-L51 VanDerWaalsContact C-N 3.34Å; N49-L51 PolarHBondContact O-N 3.07Å; L51-D53 PolarHBondContact O-N 2.87Å
52Q59Low69.6Low47 Ų4769.6 Ų69.622%0.2236%0.364CS..  trans-97.157.9174.4-67.3-169.8-16.300110.9N49 L50 N54 N345N49-Q52 PolarHBondContact O-N 2.92Å; L50-Q52 PolarHBondContact O-N 3.28Å; Q52-N54 PolarHBondContact O-N 3.16Å; Q52-N345 PolarHBondContact NE2-OD1 3.18Å
53D51.3Low69.5Low142 Ų14270.7 Ų70.776%0.75937%0.366SS*.THydrogen-bonded Turntrans-6111.2-172.5-102-23.4000117.1L51L51-D53 PolarHBondContact O-N 2.87Å
54N46.4Very low69.5Low164 Ų16473.4 Ų73.488%0.87738%0.378SS*.THydrogen-bonded Turntrans-119.47.2-176.3-95-9.8000115.9Q52Q52-N54 PolarHBondContact O-N 3.16Å
55M43.6Very low69.5Low77 Ų7774.5 Ų74.538%0.37938%0.383SS..  trans-129.8116.3175.5-69.5-161.4-8500110.7D57 Y59M55-D57 PolarHBondContact O-N 2.84Å; M55-D57 VanDerWaalsContact O-N 3.08Å; M55-Y59 HydrophobicContact CE-CD2 4.05Å; M55-Y59 HydrophobicContact CE-CE2 4.08Å
56S46.5Very low69.4Low124 Ų12480.8 Ų80.887%0.86741%0.406SS*.SBendtrans-71.53.7-168.350.80000116.4
57D49.9Very low69.1Low137 Ų13777.8 Ų77.873%0.73339%0.39SS*.SBendtrans-122.5144.5177.5-78.5-42.6000110.4M55 Y59M55-D57 PolarHBondContact O-N 2.84Å; M55-D57 VanDerWaalsContact O-N 3.08Å; D57-Y59 PolarHBondContact O-N 3.37Å
58K51.7Low68.8Low165 Ų16575.6 Ų75.672%0.71739%0.385SS*.  trans-52102.7175.8-73.1-176.2178.2-176.70109.7V60K58-V60 VanDerWaalsContact C-N 3.35Å
59Y70.6Confident68.1Low29 Ų2977.4 Ų77.411%0.11439%0.393CS..SBendtrans-65.5-39.5-177.3-175.8-103.8000111.8R22 V24 M55 D57 L348R22-Y59 WeakPolarHBondContact O-CE2 3.34Å; V24-Y59 HydrophobicContact CB-CE1 4.43Å; V24-Y59 HydrophobicContact CG2-CD1 4.07Å; V24-Y59 HydrophobicContact CG2-CE1 3.45Å; V24-Y59 VanDerWaalsContact CG2-CE1 3.45Å; V24-Y59 PolarHBondContact N-O 3.08Å; M55-Y59 HydrophobicContact CE-CD2 4.05Å; M55-Y59 HydrophobicContact CE-CE2 4.08Å; D57-Y59 PolarHBondContact O-N 3.37Å; Y59-L348 HydrophobicContact CE1-CD1 4.19Å
60V78.9Confident67.4Low5 Ų582 Ų823%0.0341%0.413CS..EExtended strand (participates in β ladder)trans-103.9124.5178.4-175.20000110.8V24 L26 I45 N49 K58 L341V24-V60 HydrophobicContact CB-CG2 4.34Å; L26-V60 HydrophobicContact CD1-CG1 3.45Å; L26-V60 VanDerWaalsContact CD1-CG1 3.45Å; L26-V60 HydrophobicContact CG-CG1 3.71Å; I45-V60 HydrophobicContact CG2-CB 4.12Å; I45-V60 HydrophobicContact CG2-CG1 3.92Å; N49-V60 WeakPolarHBondContact OD1-CB 3.26Å; N49-V60 WeakPolarHBondContact OD1-CG2 3.43Å; N49-V60 PolarHBondContact OD1-N 3.32Å; N49-V60 VanDerWaalsContact OD1-N 3.16Å; K58-V60 VanDerWaalsContact C-N 3.35Å; V60-L341 HydrophobicContact CG1-CD2 4.05Å; V60-L341 HydrophobicContact CG2-CD2 4.02Å
61T81Confident67.9Low45 Ų4580.2 Ų80.228%0.27641%0.405SS..EExtended strand (participates in β ladder)trans-110.3135.116959.30000109.4V24 H25 L26V24-T61 PolarHBondContact O-N 3.26Å; V24-T61 PolarHBondContact O-OG1 3.37Å; V24-T61 VanDerWaalsContact O-OG1 3.13Å; H25-T61 WeakPolarHBondContact CA-O 3.5Å; H25-T61 PolarHBondContact CE1-OG1 3.47Å; H25-T61 VanDerWaalsContact CE1-OG1 3.24Å; H25-T61 PolarHBondContact ND1-OG1 2.89Å; L26-T61 PolarHBondContact N-O 3.37Å
62A85.6Confident68.2Low28 Ų2880.3 Ų80.323%0.23141%0.405CS..EExtended strand (participates in β ladder)trans-123.2134.8-179.500000111.5L26 I28 I45 F64L26-A62 HydrophobicContact CB-CB 4.05Å; L26-A62 HydrophobicContact CD1-CB 4.46Å; L26-A62 CarbonylContact O-C 3.54Å; L26-A62 WeakPolarHBondContact O-CA 3.31Å; I28-A62 HydrophobicContact CD1-CB 4.3Å; I45-A62 HydrophobicContact CD1-CB 3.43Å; I45-A62 VanDerWaalsContact CD1-CB 3.43Å; A62-F64 HydrophobicContact CB-CE2 4.2Å; A62-F64 HydrophobicContact CB-CZ 4.26Å
63Y87Confident68.9Low85 Ų8586.8 Ų86.833%0.33343%0.428SS..EExtended strand (participates in β ladder)trans-107.9116.3174.5-60.8-79000109.2H25 L26 V27 I28H25-Y63 AromaticContact ND1-CE2 3.73Å; L26-Y63 PolarHBondContact O-N 3.23Å; V27-Y63 WeakPolarHBondContact CA-O 3.29Å; I28-Y63 PolarHBondContact N-O 3.29Å
64F87.7Confident70.1Confident69 Ų6981.1 Ų81.130%0.30340%0.399SS..EExtended strand (participates in β ladder)trans-91.2122.2179.9-64-80.9000110.6I28 L30 A41 E42 I45 A62I28-F64 HydrophobicContact CB-CD1 3.87Å; I28-F64 HydrophobicContact CB-CE1 4.07Å; I28-F64 HydrophobicContact CD1-CD1 4.4Å; I28-F64 HydrophobicContact CD1-CE1 3.73Å; I28-F64 HydrophobicContact CD1-CZ 4.25Å; I28-F64 HydrophobicContact CG1-CE1 4.35Å; I28-F64 HydrophobicContact CG2-CD1 4.16Å; I28-F64 HydrophobicContact CG2-CE1 4.24Å; I28-F64 WeakPolarHBondContact O-CA 3.31Å; L30-F64 HydrophobicContact CD1-CB 4.34Å; L30-F64 HydrophobicContact CD1-CD1 3.55Å; L30-F64 HydrophobicContact CD1-CE1 4.29Å; L30-F64 HydrophobicContact CD1-CG 4.32Å; L30-F64 HydrophobicContact CG-CD1 4.44Å; A41-F64 HydrophobicContact CB-CE1 3.77Å; A41-F64 HydrophobicContact CB-CZ 4.32Å; E42-F64 HydrophobicContact CG-CE2 3.87Å; E42-F64 HydrophobicContact CG-CZ 3.63Å; I45-F64 HydrophobicContact CD1-CZ 4.1Å; A62-F64 HydrophobicContact CB-CE2 4.2Å; A62-F64 HydrophobicContact CB-CZ 4.26Å
65H86.9Confident71.4Confident26 Ų2676.1 Ų76.112%0.1237%0.368CS..EExtended strand (participates in β ladder)trans-110.5114.2174-76.3-96.2000109.1I28 F29 L30I28-H65 PolarHBondContact O-N 3.41Å; F29-H65 WeakPolarHBondContact CA-O 3.32Å; F29-H65 HydrophobicContact CD1-CB 3.76Å; F29-H65 HydrophobicContact CE1-CB 4.08Å; L30-H65 PolarHBondContact N-O 2.85Å
66R84.3Confident73Confident140 Ų14074 Ų7453%0.52836%0.36SS..EExtended strand (participates in β ladder)trans-81.8122.7173-64.1-178.7-175.6178.8-0.5108.7L30 E32L30-R66 CarbonylContact O-C 3.59Å; L30-R66 WeakPolarHBondContact O-CA 3.19Å; E32-R66 HydrophobicContact CB-CB 4.46Å
67I79.2Confident74.6Confident1 Ų171.8 Ų71.81%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-110.2130.6178.7-63.3-173.6000108.1F29 L30 E32 W75 T101 I110F29-I67 HydrophobicContact CB-CD1 3.95Å; F29-I67 HydrophobicContact CD1-CD1 3.39Å; F29-I67 HydrophobicContact CD1-CG1 4.09Å; F29-I67 HydrophobicContact CE1-CD1 4.14Å; F29-I67 HydrophobicContact CG-CD1 3.96Å; L30-I67 PolarHBondContact O-N 3.44Å; E32-I67 PolarHBondContact N-O 2.93Å; I67-W75 HydrophobicContact CG2-CB 4.5Å; I67-T101 HydrophobicContact CB-CG2 4.48Å; I67-I110 HydrophobicContact CD1-CD1 4.29Å
68N77.9Confident76.1Confident45 Ų4565.8 Ų65.824%0.24131%0.308CS..  trans-83.8122.2163.4-172.9-21.1000108.3E32 E70 D71 S74E32-N68 WeakPolarHBondContact OE2-CB 3.36Å; N68-E70 VanDerWaalsContact C-N 3.27Å; N68-E70 PolarHBondContact O-N 3.05Å; N68-E70 WeakPolarHBondContact OD1-CB 3.43Å; N68-E70 PolarHBondContact OD1-N 3.16Å; N68-D71 HydrophobicContact CB-CB 4.29Å; N68-D71 PolarHBondContact O-N 3.31Å; N68-S74 PolarHBondContact N-OG 2.81Å
69H63.9Low77.5Confident55 Ų5558.9 Ų58.926%0.25528%0.279SS..SBendtrans-66.8-27.9179.6-71.5-52.5000113.6P31 T101 P102P31-H69 WeakPolarHBondContact CA-NE2 3.44Å; P31-H69 WeakPolarHBondContact CB-NE2 3.43Å; H69-T101 WeakPolarHBondContact CE1-CB 3.21Å; H69-T101 WeakPolarHBondContact CE1-CG2 3.18Å; H69-P102 VanDerWaalsContact CD2-CG 3.44Å; H69-P102 WeakPolarHBondContact CD2-CG 3.36Å; H69-P102 VanDerWaalsContact NE2-CD 3.32Å; H69-P102 WeakPolarHBondContact NE2-CD 3.48Å
70E62Low77.9Confident125 Ų12563.3 Ų63.358%0.58430%0.298SS*.SBendtrans-79.6-31.7-179.1-57.8-172.214900112.1N68 T187N68-E70 VanDerWaalsContact C-N 3.27Å; N68-E70 PolarHBondContact O-N 3.05Å; N68-E70 WeakPolarHBondContact OD1-CB 3.43Å; N68-E70 PolarHBondContact OD1-N 3.16Å; E70-T187 PolarHBondContact OE1-OG1 3.27Å
71D71Confident78.1Confident65 Ų6567 Ų6735%0.34832%0.318SS..  trans-98.296.5-177.5-172.316.8000111.9N68 R73 S74N68-D71 HydrophobicContact CB-CB 4.29Å; N68-D71 PolarHBondContact O-N 3.31Å; D71-R73 PolarHBondContact O-N 2.9Å; D71-R73 WeakPolarHBondContact OD1-CB 3.29Å; D71-R73 WeakPolarHBondContact OD1-CG 3.34Å; D71-R73 PolarHBondContact OD1-N 3.44Å; D71-S74 VanDerWaalsContact O-CB 3.24Å; D71-S74 WeakPolarHBondContact O-CB 3.1Å; D71-S74 PolarHBondContact O-N 3.1Å; D71-S74 PolarHBondContact OD2-N 3.34Å
72L67.4Low78.2Confident112 Ų11265 Ų6559%0.58631%0.306SS*.Hα-helixtrans-49.8-26.4168.7-83.7156.6000112.8S76L72-S76 PolarHBondContact O-N 3.49Å; L72-S76 VanDerWaalsContact O-N 3.09Å
73R74.5Confident78Confident184 Ų18464.7 Ų64.769%0.69430%0.301SS*.Hα-helixtrans-71.5-37.3176-56.1174.5176.61771.2111.9D71 W75 S76 N77D71-R73 PolarHBondContact O-N 2.9Å; D71-R73 WeakPolarHBondContact OD1-CB 3.29Å; D71-R73 WeakPolarHBondContact OD1-CG 3.34Å; D71-R73 PolarHBondContact OD1-N 3.44Å; R73-W75 VanDerWaalsContact C-N 3.28Å; R73-W75 PolarHBondContact O-N 3.45Å; R73-S76 WeakPolarHBondContact CA-OG 3.46Å; R73-S76 PolarHBondContact O-N 3.01Å; R73-S76 VanDerWaalsContact O-N 3.13Å; R73-S76 PolarHBondContact O-OG 3.05Å; R73-N77 WeakPolarHBondContact O-CB 3.26Å; R73-N77 PolarHBondContact O-N 3.25Å; R73-N77 PolarHBondContact O-ND2 2.75Å
74S76.3Confident77.6Confident22 Ų2264.7 Ų64.715%0.15431%0.307CS..Hα-helixtrans-56.4-44.5175.3-176.60000111.2N68 D71 N77 S78N68-S74 PolarHBondContact N-OG 2.81Å; D71-S74 VanDerWaalsContact O-CB 3.24Å; D71-S74 WeakPolarHBondContact O-CB 3.1Å; D71-S74 PolarHBondContact O-N 3.1Å; D71-S74 PolarHBondContact OD2-N 3.34Å; S74-N77 PolarHBondContact O-N 2.76Å; S74-S78 PolarHBondContact O-N 2.79Å; S74-S78 PolarHBondContact O-OG 3.49Å; S74-S78 VanDerWaalsContact O-OG 3.13Å
75W74.4Confident77.3Confident59 Ų5964.3 Ų64.322%0.22331%0.308CS..Hα-helixtrans-61.7-50.9172176.685.2000111.9I67 R73 N77 S78 I79 A106 G109I67-W75 HydrophobicContact CG2-CB 4.5Å; R73-W75 VanDerWaalsContact C-N 3.28Å; R73-W75 PolarHBondContact O-N 3.45Å; W75-N77 PolarHBondContact O-N 2.67Å; W75-S78 PolarHBondContact O-N 2.8Å; W75-S78 VanDerWaalsContact O-N 3.14Å; W75-I79 HydrophobicContact CD2-CD1 4.09Å; W75-I79 HydrophobicContact CD2-CG1 4.4Å; W75-I79 HydrophobicContact CH2-CD1 3.53Å; W75-I79 HydrophobicContact CZ2-CD1 2.96Å; W75-I79 HydrophobicContact CZ2-CG1 4.07Å; W75-I79 HydrophobicContact CZ3-CD1 4.28Å; W75-I79 WeakPolarHBondContact O-CG1 3.28Å; W75-I79 PolarHBondContact O-N 3.06Å; W75-A106 HydrophobicContact CG-CB 4.08Å; W75-A106 PolarHBondContact NE1-O 3.37Å; W75-A106 VanDerWaalsContact NE1-O 3.14Å; W75-G109 VanDerWaalsContact CZ2-C 3.43Å
76S75.4Confident76.8Confident32 Ų3263.3 Ų63.322%0.22430%0.303CS..Hα-helixtrans-59.8-34.8-179.682.20000113L72 R73 K80L72-S76 PolarHBondContact O-N 3.49Å; L72-S76 VanDerWaalsContact O-N 3.09Å; R73-S76 WeakPolarHBondContact CA-OG 3.46Å; R73-S76 PolarHBondContact O-N 3.01Å; R73-S76 VanDerWaalsContact O-N 3.13Å; R73-S76 PolarHBondContact O-OG 3.05Å; S76-K80 WeakPolarHBondContact O-CB 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.1Å; S76-K80 PolarHBondContact O-N 3.49Å
77N80.7Confident76.3Confident79 Ų7960.8 Ų60.842%0.42230%0.298SS..Hα-helixtrans-73.1-41.3178.2-72-20000111.1R73 S74 W75 I79 K80 N81R73-N77 WeakPolarHBondContact O-CB 3.26Å; R73-N77 PolarHBondContact O-N 3.25Å; R73-N77 PolarHBondContact O-ND2 2.75Å; S74-N77 PolarHBondContact O-N 2.76Å; W75-N77 PolarHBondContact O-N 2.67Å; N77-I79 VanDerWaalsContact C-N 3.34Å; N77-I79 PolarHBondContact O-N 3.16Å; N77-K80 PolarHBondContact O-N 2.82Å; N77-N81 WeakPolarHBondContact O-CB 3.21Å; N77-N81 PolarHBondContact O-N 3.08Å; N77-N81 PolarHBondContact O-ND2 2.84Å; N77-N81 PolarHBondContact O-OD1 2.99Å
78S81.6Confident76.1Confident10 Ų1066.8 Ų66.87%0.0733%0.33CS..Hα-helixtrans-61.1-44175.5-68.70000111.6S74 W75 N81 I82S74-S78 PolarHBondContact O-N 2.79Å; S74-S78 PolarHBondContact O-OG 3.49Å; S74-S78 VanDerWaalsContact O-OG 3.13Å; W75-S78 PolarHBondContact O-N 2.8Å; W75-S78 VanDerWaalsContact O-N 3.14Å; S78-N81 PolarHBondContact O-N 3.18Å; S78-I82 WeakPolarHBondContact O-CG1 3.29Å; S78-I82 PolarHBondContact O-N 3.17Å
79I80.4Confident75.9Confident21 Ų2167.8 Ų67.811%0.10834%0.335CS..Hα-helixtrans-61.1-51.1174-66.2-154.7000111.2W75 N77 N81 I82 C83 L113W75-I79 HydrophobicContact CD2-CD1 4.09Å; W75-I79 HydrophobicContact CD2-CG1 4.4Å; W75-I79 HydrophobicContact CH2-CD1 3.53Å; W75-I79 HydrophobicContact CZ2-CD1 2.96Å; W75-I79 HydrophobicContact CZ2-CG1 4.07Å; W75-I79 HydrophobicContact CZ3-CD1 4.28Å; W75-I79 WeakPolarHBondContact O-CG1 3.28Å; W75-I79 PolarHBondContact O-N 3.06Å; N77-I79 VanDerWaalsContact C-N 3.34Å; N77-I79 PolarHBondContact O-N 3.16Å; I79-N81 PolarHBondContact O-N 3.3Å; I79-I82 PolarHBondContact O-N 3.43Å; I79-I82 VanDerWaalsContact O-N 3.13Å; I79-C83 PolarHBondContact O-N 3.29Å; I79-C83 PolarHBondContact O-SG 3.02Å; I79-L113 HydrophobicContact CB-CD2 4.48Å; I79-L113 HydrophobicContact CD1-CB 4.12Å; I79-L113 HydrophobicContact CD1-CD2 3.95Å; I79-L113 HydrophobicContact CD1-CG 4.48Å; I79-L113 HydrophobicContact CG1-CD2 3.94Å; I79-L113 HydrophobicContact CG2-CD1 4.02Å; I79-L113 HydrophobicContact CG2-CD2 4.3Å
80K80.5Confident76.2Confident121 Ų12170.2 Ų70.253%0.52635%0.354SS..Hα-helixtrans-55-42.3177.2-76.8170-176.7172.10111.8S76 N77 C83 L84S76-K80 WeakPolarHBondContact O-CB 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.1Å; S76-K80 PolarHBondContact O-N 3.49Å; N77-K80 PolarHBondContact O-N 2.82Å; K80-C83 PolarHBondContact O-N 3.11Å; K80-L84 WeakPolarHBondContact O-CB 3.5Å; K80-L84 WeakPolarHBondContact O-CG 3.37Å; K80-L84 PolarHBondContact O-N 3.24Å
81N82.3Confident76.5Confident82 Ų8266.9 Ų66.944%0.43935%0.348SS..Hα-helixtrans-64-42.6178.4-71.9-15.6000112.3N77 S78 I79 L84 N85N77-N81 WeakPolarHBondContact O-CB 3.21Å; N77-N81 PolarHBondContact O-N 3.08Å; N77-N81 PolarHBondContact O-ND2 2.84Å; N77-N81 PolarHBondContact O-OD1 2.99Å; S78-N81 PolarHBondContact O-N 3.18Å; I79-N81 PolarHBondContact O-N 3.3Å; N81-L84 PolarHBondContact O-N 2.99Å; N81-N85 WeakPolarHBondContact O-CB 3.44Å; N81-N85 VanDerWaalsContact O-CG 3.22Å; N81-N85 PolarHBondContact O-N 3.13Å; N81-N85 PolarHBondContact O-ND2 3.31Å
82I83.2Confident76.6Confident5 Ų567.4 Ų67.43%0.02635%0.347CS..Hα-helixtrans-61.4-48.1175-67.3161.6000109.7V27 F29 S78 I79 L84 N85 I86 L113V27-I82 HydrophobicContact CG1-CD1 3.79Å; V27-I82 HydrophobicContact CG1-CG1 4.45Å; F29-I82 HydrophobicContact CE1-CD1 3.63Å; F29-I82 HydrophobicContact CZ-CD1 3.42Å; F29-I82 VanDerWaalsContact CZ-CD1 3.42Å; S78-I82 WeakPolarHBondContact O-CG1 3.29Å; S78-I82 PolarHBondContact O-N 3.17Å; I79-I82 PolarHBondContact O-N 3.43Å; I79-I82 VanDerWaalsContact O-N 3.13Å; I82-L84 PolarHBondContact O-N 2.74Å; I82-N85 PolarHBondContact O-N 2.81Å; I82-I86 HydrophobicContact CG2-CD1 3.86Å; I82-I86 HydrophobicContact CG2-CG1 4.48Å; I82-I86 VanDerWaalsContact O-CG1 3.27Å; I82-I86 WeakPolarHBondContact O-CG1 3.38Å; I82-I86 PolarHBondContact O-N 3.47Å; I82-L113 HydrophobicContact CD1-CD2 4.21Å
83C80.8Confident77.3Confident21 Ų2163.1 Ų63.114%0.14232%0.324CS..Hα-helixtrans-59.8-43.3178.4-58.60000112.6I79 K80 I86 Q87 C367I79-C83 PolarHBondContact O-N 3.29Å; I79-C83 PolarHBondContact O-SG 3.02Å; K80-C83 PolarHBondContact O-N 3.11Å; C83-I86 PolarHBondContact O-N 2.69Å; C83-Q87 WeakPolarHBondContact O-CB 3.3Å; C83-Q87 PolarHBondContact O-N 3.16Å; C83-C367 HydrophobicContact CB-CB 3.9Å; C83-C367 WeakPolarHBondContact CB-SG 3.47Å; C83-C367 WeakPolarHBondContact SG-CB 3.45Å; C83-C367 CovalentContact SG-SG 2.01Å; C83-C367 PolarHBondContact SG-SG 3.39Å
84L80.1Confident77.8Confident85 Ų8554.4 Ų54.445%0.44529%0.291SS..Hα-helixtrans-65.3-38.1175.9-73.1169.9000112.1K80 N81 I82 Q87 N88K80-L84 WeakPolarHBondContact O-CB 3.5Å; K80-L84 WeakPolarHBondContact O-CG 3.37Å; K80-L84 PolarHBondContact O-N 3.24Å; N81-L84 PolarHBondContact O-N 2.99Å; I82-L84 PolarHBondContact O-N 2.74Å; L84-Q87 WeakPolarHBondContact O-CB 3.44Å; L84-Q87 PolarHBondContact O-N 3.17Å; L84-N88 WeakPolarHBondContact O-CB 3.36Å; L84-N88 VanDerWaalsContact O-CG 3.28Å; L84-N88 PolarHBondContact O-N 3.15Å; L84-N88 PolarHBondContact O-ND2 2.87Å
85N79.8Confident78.2Confident61 Ų6154 Ų5433%0.32629%0.287SS..Hα-helixtrans-65.6-43.7177.5-77.4-24.3000111.9N81 I82 Q87 N88 D89 K92N81-N85 WeakPolarHBondContact O-CB 3.44Å; N81-N85 VanDerWaalsContact O-CG 3.22Å; N81-N85 PolarHBondContact O-N 3.13Å; N81-N85 PolarHBondContact O-ND2 3.31Å; I82-N85 PolarHBondContact O-N 2.81Å; N85-Q87 VanDerWaalsContact C-N 3.26Å; N85-Q87 PolarHBondContact O-N 2.82Å; N85-N88 PolarHBondContact O-N 2.82Å; N85-D89 PolarHBondContact O-N 2.97Å; N85-K92 HydrophobicContact CB-CD 4.38Å
86I76.9Confident78.8Confident4 Ų451.1 Ų51.12%0.02128%0.276CS..Hα-helixtrans-62.8-37.2175-61.5168.1000110.5I82 C83 D89 P94 I117 I366I82-I86 HydrophobicContact CG2-CD1 3.86Å; I82-I86 HydrophobicContact CG2-CG1 4.48Å; I82-I86 VanDerWaalsContact O-CG1 3.27Å; I82-I86 WeakPolarHBondContact O-CG1 3.38Å; I82-I86 PolarHBondContact O-N 3.47Å; C83-I86 PolarHBondContact O-N 2.69Å; I86-D89 CarbonylContact O-C 3.58Å; I86-P94 HydrophobicContact CD1-CG 4.39Å; I86-I117 HydrophobicContact CD1-CD1 4.4Å; I86-I117 HydrophobicContact CD1-CG2 4.2Å; I86-I366 HydrophobicContact CG2-CD1 3.69Å
87Q73.6Confident79.4Confident88 Ų8849.6 Ų49.641%0.41127%0.266SS..Hα-helixtrans-68.1-40.1177.8-175.4-175.9-22.100112.5C83 L84 N85 S363C83-Q87 WeakPolarHBondContact O-CB 3.3Å; C83-Q87 PolarHBondContact O-N 3.16Å; L84-Q87 WeakPolarHBondContact O-CB 3.44Å; L84-Q87 PolarHBondContact O-N 3.17Å; N85-Q87 VanDerWaalsContact C-N 3.26Å; N85-Q87 PolarHBondContact O-N 2.82Å; Q87-S363 PolarHBondContact NE2-O 3.34Å
88N75.7Confident79.8Confident127 Ų12745.9 Ų45.968%0.67925%0.245SC*.Hα-helixtrans-73.5-36-179-74.7-18000112.5L84 N85L84-N88 WeakPolarHBondContact O-CB 3.36Å; L84-N88 VanDerWaalsContact O-CG 3.28Å; L84-N88 PolarHBondContact O-N 3.15Å; L84-N88 PolarHBondContact O-ND2 2.87Å; N85-N88 PolarHBondContact O-N 2.82Å
89D74.1Confident79.9Confident66 Ų6645.5 Ų45.535%0.35324%0.243SC..  trans-145.4111.3179.5-178.14.9000109.3N85 I86 A91 K92N85-D89 PolarHBondContact O-N 2.97Å; I86-D89 CarbonylContact O-C 3.58Å; D89-A91 PolarHBondContact O-N 3.38Å; D89-A91 WeakPolarHBondContact OD1-CB 3.41Å; D89-A91 PolarHBondContact OD1-N 3.11Å; D89-K92 HydrophobicContact CB-CD 4Å; D89-K92 HydrophobicContact CB-CG 3.95Å; D89-K92 WeakPolarHBondContact O-CB 3.46Å; D89-K92 PolarHBondContact O-N 3.47Å
90T69.5Low80Confident105 Ų10544.7 Ų44.764%0.64424%0.239SC*.G310 helixtrans-64.9-19.2178.952.90000112.3K92 H93T90-K92 PolarHBondContact O-N 2.98Å; T90-H93 WeakPolarHBondContact O-CB 3.42Å; T90-H93 PolarHBondContact O-N 3.42Å
91A68.9Low79.7Confident56 Ų5639 Ų3946%0.46321%0.214SC..G310 helixtrans-67.8-22.7172.300000112.2H25 D89 H93H25-A91 PolarHBondContact CD2-O 2.85Å; H25-A91 PolarHBondContact NE2-O 3.49Å; H25-A91 VanDerWaalsContact NE2-O 3.11Å; D89-A91 PolarHBondContact O-N 3.38Å; D89-A91 WeakPolarHBondContact OD1-CB 3.41Å; D89-A91 PolarHBondContact OD1-N 3.11Å; A91-H93 PolarHBondContact O-N 3.48Å
92K72.4Confident79Confident76 Ų7637.6 Ų37.633%0.3321%0.209SC..G310 helixtrans-82.411.3177.1-63.2-178.1-176.11780114N85 D89 T90 P94N85-K92 HydrophobicContact CB-CD 4.38Å; D89-K92 HydrophobicContact CB-CD 4Å; D89-K92 HydrophobicContact CB-CG 3.95Å; D89-K92 WeakPolarHBondContact O-CB 3.46Å; D89-K92 PolarHBondContact O-N 3.47Å; T90-K92 PolarHBondContact O-N 2.98Å; K92-P94 WeakPolarHBondContact O-CD 3.43Å
93H81.1Confident77.9Confident22 Ų2240.3 Ų40.310%0.10223%0.227CC..  trans-58.8121.7171.6-175.2-79.1000110T90 A91 I117 R379T90-H93 WeakPolarHBondContact O-CB 3.42Å; T90-H93 PolarHBondContact O-N 3.42Å; A91-H93 PolarHBondContact O-N 3.48Å; H93-I117 PolarHBondContact CE1-O 3.37Å; H93-I117 VanDerWaalsContact CE1-O 3.31Å; H93-I117 PolarHBondContact NE2-O 3.48Å; H93-R379 PolarHBondContact ND1-NH1 3.09Å
94P86Confident76.9Confident1 Ų140.7 Ų40.71%0.00623%0.23CC..  trans-75.5129.2-179.231.7-34.3000110.4H25 V27 I86 K92 L97 I117 S119H25-P94 CarbonylContact O-C 3.51Å; H25-P94 WeakPolarHBondContact O-CA 3.43Å; V27-P94 HydrophobicContact CB-CB 4.33Å; V27-P94 HydrophobicContact CG2-CB 3.69Å; V27-P94 HydrophobicContact CG2-CG 4.32Å; I86-P94 HydrophobicContact CD1-CG 4.39Å; K92-P94 WeakPolarHBondContact O-CD 3.43Å; P94-L97 HydrophobicContact CB-CD2 3.97Å; P94-L97 HydrophobicContact CG-CD2 3.91Å; P94-I117 HydrophobicContact CG-CD1 3.47Å; P94-I117 VanDerWaalsContact CG-CD1 3.47Å; P94-S119 WeakPolarHBondContact O-CB 3.38Å
95D84.7Confident75.8Confident12 Ų1244.5 Ų44.56%0.06425%0.246CC..SBendtrans-75.5-33.9175-64.8-68000111.5V24 H25 G120 L344 W353 R379V24-D95 WeakPolarHBondContact CA-OD2 3.4Å; V24-D95 HydrophobicContact CG1-CB 4.32Å; H25-D95 PolarHBondContact N-OD2 3.21Å; H25-D95 PolarHBondContact O-N 3.32Å; D95-G120 PolarHBondContact O-N 3.02Å; D95-L344 HydrophobicContact CB-CD2 4.26Å; D95-W353 HydrophobicContact CB-CZ2 4.06Å; D95-W353 WeakPolarHBondContact O-CZ2 3.38Å; D95-W353 PolarHBondContact OD1-NE1 2.93Å; D95-R379 IonicContact OD1-CZ 2.65Å; D95-R379 IonicContact OD1-NH1 3.14Å; D95-R379 PolarHBondContact OD1-NH1 3.23Å; D95-R379 IonicContact OD1-NH2 3.43Å
96L87.9Confident75Confident0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-143.2128.8-177.817562.2000111.5L26 V27 I98 I122 L344 Y383L26-L96 HydrophobicContact CD2-CB 3.69Å; L26-L96 HydrophobicContact CD2-CD2 3.98Å; L26-L96 HydrophobicContact CD2-CG 4.2Å; V27-L96 PolarHBondContact N-O 3.38Å; L96-I98 HydrophobicContact CD2-CD1 4.25Å; L96-I98 HydrophobicContact CD2-CG1 4.19Å; L96-I98 HydrophobicContact CG-CG1 4.06Å; L96-I122 HydrophobicContact CD1-CB 4.38Å; L96-I122 HydrophobicContact CD1-CG2 3.97Å; L96-I122 HydrophobicContact CD2-CG2 4.36Å; L96-I122 HydrophobicContact CG-CG2 4.31Å; L96-L344 HydrophobicContact CB-CD2 4.26Å; L96-Y383 HydrophobicContact CD1-CD1 4.21Å; L96-Y383 HydrophobicContact CD1-CE1 3.44Å; L96-Y383 VanDerWaalsContact CD1-CE1 3.44Å; L96-Y383 HydrophobicContact CD1-CE2 3.97Å; L96-Y383 WeakPolarHBondContact CD1-OH 3.02Å; L96-Y383 HydrophobicContact CD2-CE2 4.22Å; L96-Y383 VanDerWaalsContact CD2-OH 3.32Å; L96-Y383 WeakPolarHBondContact CD2-OH 3.25Å
97L87.9Confident74.5Confident0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-95.7124.6168.4-57.5-172.4000109.8V27 F29 P94 I110 L113 A114 I117 G120 I121 I122V27-L97 HydrophobicContact CB-CD2 3.57Å; V27-L97 HydrophobicContact CG1-CD2 3.93Å; V27-L97 HydrophobicContact CG2-CD2 4.22Å; V27-L97 CarbonylContact O-C 3.44Å; V27-L97 WeakPolarHBondContact O-CA 3.28Å; F29-L97 HydrophobicContact CE2-CB 4.33Å; F29-L97 HydrophobicContact CE2-CD1 4.41Å; F29-L97 HydrophobicContact CE2-CD2 4.31Å; P94-L97 HydrophobicContact CB-CD2 3.97Å; P94-L97 HydrophobicContact CG-CD2 3.91Å; L97-I110 HydrophobicContact CB-CG2 4.49Å; L97-I110 HydrophobicContact CD1-CG2 4.24Å; L97-L113 HydrophobicContact CD1-CD2 4.21Å; L97-L113 HydrophobicContact CD1-CG 4.23Å; L97-A114 HydrophobicContact CD1-CB 3.74Å; L97-A114 HydrophobicContact CG-CB 4.46Å; L97-I117 HydrophobicContact CD1-CD1 4.09Å; L97-I117 HydrophobicContact CD2-CD1 4.32Å; L97-I117 HydrophobicContact CG-CD1 4.46Å; L97-G120 PolarHBondContact N-O 3.42Å; L97-I121 CarbonylContact O-C 3.37Å; L97-I121 WeakPolarHBondContact O-CA 3.03Å; L97-I122 WeakPolarHBondContact O-CG2 3.31Å; L97-I122 PolarHBondContact O-N 3.35Å
98I87.9Confident74.3Confident0 Ų039.9 Ų39.90%023%0.229CC..EExtended strand (participates in β ladder)trans-110.4113175.8-47.9-167.2000108.3V27 I28 F29 L96 L100 I122 T336 V337V27-I98 PolarHBondContact O-N 3.29Å; I28-I98 CarbonylContact C-O 3.5Å; I28-I98 WeakPolarHBondContact CA-O 3.43Å; I28-I98 HydrophobicContact CB-CB 4.45Å; I28-I98 HydrophobicContact CD1-CD1 4.13Å; I28-I98 HydrophobicContact CG1-CB 4.07Å; I28-I98 HydrophobicContact CG1-CD1 4.12Å; I28-I98 HydrophobicContact CG1-CG1 4.2Å; I28-I98 HydrophobicContact CG2-CB 4.3Å; I28-I98 HydrophobicContact CG2-CG2 4.42Å; F29-I98 PolarHBondContact N-O 2.83Å; L96-I98 HydrophobicContact CD2-CD1 4.25Å; L96-I98 HydrophobicContact CD2-CG1 4.19Å; L96-I98 HydrophobicContact CG-CG1 4.06Å; I98-L100 HydrophobicContact CG2-CD1 4.4Å; I98-L100 HydrophobicContact CG2-CD2 3.6Å; I98-L100 HydrophobicContact CG2-CG 3.81Å; I98-I122 CarbonylContact C-O 3.39Å; I98-I122 WeakPolarHBondContact CA-O 3.46Å; I98-I122 HydrophobicContact CB-CG2 3.76Å; I98-I122 HydrophobicContact CD1-CG2 4.21Å; I98-I122 HydrophobicContact CG1-CG2 3.51Å; I98-I122 HydrophobicContact CG2-CG2 3.75Å; I98-T336 HydrophobicContact CG2-CG2 4.15Å; I98-V337 HydrophobicContact CD1-CB 4.31Å; I98-V337 HydrophobicContact CD1-CG1 4.15Å; I98-V337 HydrophobicContact CD1-CG2 4.01Å; I98-V337 HydrophobicContact CG2-CG2 4.18Å
99D83.3Confident74.2Confident2 Ų234.4 Ų34.41%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-95.9107173.9-178.618.9000110.3T101 I110 I122 S123 L124D99-T101 VanDerWaalsContact OD1-CB 3.25Å; D99-T101 WeakPolarHBondContact OD1-CB 3.46Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.4Å; D99-T101 PolarHBondContact OD1-N 3.3Å; D99-T101 PolarHBondContact OD1-OG1 3.28Å; D99-I110 HydrophobicContact CB-CD1 4.15Å; D99-I110 HydrophobicContact CB-CG2 4.39Å; D99-I122 PolarHBondContact N-O 3.4Å; D99-S123 WeakPolarHBondContact O-CA 3.23Å; D99-S123 PolarHBondContact OD2-OG 3.36Å; D99-L124 PolarHBondContact O-N 3.16Å
100L82.7Confident74.4Confident5 Ų531.2 Ų31.23%0.02619%0.185CC..  trans-102.914.4176.2-54.3174.9000111.8I28 F29 L30 I98 L124 V333 T336 V337I28-L100 HydrophobicContact CG2-CD1 3.48Å; I28-L100 VanDerWaalsContact CG2-CD1 3.48Å; I28-L100 HydrophobicContact CG2-CG 4.09Å; F29-L100 VanDerWaalsContact O-CB 3.31Å; F29-L100 WeakPolarHBondContact O-CB 3.47Å; F29-L100 PolarHBondContact O-N 3.23Å; L30-L100 HydrophobicContact CD2-CB 4.24Å; L30-L100 HydrophobicContact CD2-CD1 3.57Å; I98-L100 HydrophobicContact CG2-CD1 4.4Å; I98-L100 HydrophobicContact CG2-CD2 3.6Å; I98-L100 HydrophobicContact CG2-CG 3.81Å; L100-L124 HydrophobicContact CB-CD1 4.39Å; L100-L124 HydrophobicContact CD2-CD1 4.04Å; L100-L124 HydrophobicContact CD2-CG 4.23Å; L100-V333 HydrophobicContact CB-CG2 4.32Å; L100-V333 HydrophobicContact CD1-CB 4.38Å; L100-V333 HydrophobicContact CD1-CG1 3.52Å; L100-V333 HydrophobicContact CD1-CG2 4.11Å; L100-V333 HydrophobicContact CD2-CG1 4.37Å; L100-V333 HydrophobicContact CD2-CG2 4.15Å; L100-V333 HydrophobicContact CG-CG2 4.43Å; L100-T336 HydrophobicContact CD2-CG2 3.81Å; L100-V337 HydrophobicContact CD1-CG2 4.35Å
101T75.7Confident74.7Confident2 Ų228 Ų281%0.01216%0.162CC..SBendtrans-82.8152-177.667.40000112.9F29 I67 H69 D99 N125F29-T101 HydrophobicContact CB-CG2 4.21Å; I67-T101 HydrophobicContact CB-CG2 4.48Å; H69-T101 WeakPolarHBondContact CE1-CB 3.21Å; H69-T101 WeakPolarHBondContact CE1-CG2 3.18Å; D99-T101 VanDerWaalsContact OD1-CB 3.25Å; D99-T101 WeakPolarHBondContact OD1-CB 3.46Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.4Å; D99-T101 PolarHBondContact OD1-N 3.3Å; D99-T101 PolarHBondContact OD1-OG1 3.28Å; T101-N125 PolarHBondContact O-ND2 3.02Å
102P66.6Low75Confident52 Ų5230.4 Ų30.434%0.33816%0.162SC..PPolyproline II helixtrans-57.6157.616924.1-35.9000112.5H69 S104H69-P102 VanDerWaalsContact CD2-CG 3.44Å; H69-P102 WeakPolarHBondContact CD2-CG 3.36Å; H69-P102 VanDerWaalsContact NE2-CD 3.32Å; H69-P102 WeakPolarHBondContact NE2-CD 3.48Å; P102-S104 PolarHBondContact O-N 3.03Å
103P60.3Low75.4Confident61 Ų6126.8 Ų26.840%0.39615%0.147SC..SBendtrans-57.3124.3178.7-6.518000110.4N125 D128P103-N125 WeakPolarHBondContact CD-ND2 3.19Å; P103-D128 VanDerWaalsContact CA-OD2 3.23Å; P103-D128 WeakPolarHBondContact CA-OD2 3.33Å; P103-D128 WeakPolarHBondContact CB-OD2 3.47Å
104S59.7Low75.4Confident29 Ų2925.8 Ų25.820%0.20314%0.142CC..SBendtrans-163.6165177.963.20000110P102 A106 S107 D128P102-S104 PolarHBondContact O-N 3.03Å; S104-A106 PolarHBondContact O-N 3Å; S104-A106 WeakPolarHBondContact OG-CB 3.44Å; S104-S107 WeakPolarHBondContact O-CB 3.04Å; S104-S107 PolarHBondContact O-N 2.68Å; S104-S107 PolarHBondContact O-OG 3.24Å; S104-D128 PolarHBondContact N-OD2 2.96Å; S104-D128 VanDerWaalsContact N-OD2 3.17Å
105Q56.9Low75Confident166 Ų16625.9 Ų25.978%0.77614%0.143SC*.Hα-helixtrans-53.2-23.1173.4-71.5-175.8-6.700113.4S107Q105-S107 VanDerWaalsContact C-N 3.34Å
106A63Low74.6Confident11 Ų1126.9 Ų26.99%0.09115%0.147CC..Hα-helixtrans-67.1-30.9176.700000113.4W75 S104 C108 G109 I110W75-A106 HydrophobicContact CG-CB 4.08Å; W75-A106 PolarHBondContact NE1-O 3.37Å; W75-A106 VanDerWaalsContact NE1-O 3.14Å; S104-A106 PolarHBondContact O-N 3Å; S104-A106 WeakPolarHBondContact OG-CB 3.44Å; A106-C108 VanDerWaalsContact C-N 3.35Å; A106-C108 PolarHBondContact O-N 3.3Å; A106-G109 WeakPolarHBondContact O-CA 3.34Å; A106-G109 PolarHBondContact O-N 3.02Å; A106-G109 VanDerWaalsContact O-N 3.09Å; A106-I110 PolarHBondContact O-N 2.97Å; A106-I110 VanDerWaalsContact O-N 3.12Å
107S67.2Low74.1Confident14 Ų1427 Ų2710%0.09815%0.147CC..Hα-helixtrans-59.8-43.4178.665.50000111.8S104 Q105 G109 I110 Q111S104-S107 WeakPolarHBondContact O-CB 3.04Å; S104-S107 PolarHBondContact O-N 2.68Å; S104-S107 PolarHBondContact O-OG 3.24Å; Q105-S107 VanDerWaalsContact C-N 3.34Å; S107-G109 VanDerWaalsContact C-N 3.25Å; S107-G109 PolarHBondContact O-N 3.33Å; S107-I110 PolarHBondContact O-N 3.48Å; S107-I110 VanDerWaalsContact O-N 3.12Å; S107-Q111 PolarHBondContact O-N 2.97Å; S107-Q111 VanDerWaalsContact O-N 3.12Å
108C68.9Low73.6Confident31 Ų3127.4 Ų27.421%0.20915%0.15CC..Hα-helixtrans-63.8-34.6175.3-53.90000112.7A106 Q111 K112 D128 C129A106-C108 VanDerWaalsContact C-N 3.35Å; A106-C108 PolarHBondContact O-N 3.3Å; C108-Q111 PolarHBondContact O-N 3.32Å; C108-K112 WeakPolarHBondContact O-CB 3.31Å; C108-K112 PolarHBondContact O-N 2.89Å; C108-D128 PolarHBondContact SG-O 2.97Å; C108-D128 VanDerWaalsContact SG-O 3.35Å; C108-C129 WeakPolarHBondContact CA-SG 3.03Å; C108-C129 HydrophobicContact CB-CB 3.93Å; C108-C129 WeakPolarHBondContact CB-SG 3.43Å; C108-C129 PolarHBondContact N-SG 3.26Å; C108-C129 VanDerWaalsContact N-SG 3.4Å; C108-C129 WeakPolarHBondContact SG-CA 3.35Å; C108-C129 WeakPolarHBondContact SG-CB 3.28Å; C108-C129 CovalentContact SG-SG 2.04Å; C108-C129 PolarHBondContact SG-SG 2.78Å
109G73Confident73.4Confident11 Ų1127.4 Ų27.411%0.11315%0.15CC..Hα-helixtrans-61.7-42.1173.200000113.3W75 A106 S107 Q111 K112 L113W75-G109 VanDerWaalsContact CZ2-C 3.43Å; A106-G109 WeakPolarHBondContact O-CA 3.34Å; A106-G109 PolarHBondContact O-N 3.02Å; A106-G109 VanDerWaalsContact O-N 3.09Å; S107-G109 VanDerWaalsContact C-N 3.25Å; S107-G109 PolarHBondContact O-N 3.33Å; G109-Q111 VanDerWaalsContact C-N 3.35Å; G109-K112 PolarHBondContact O-N 2.96Å; G109-L113 PolarHBondContact O-N 3.46Å
110I77.9Confident73.2Confident0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-67.2-39.3177.7-63.1166000110.5F29 I67 L97 D99 A106 S107 L113 A114 I121F29-I110 HydrophobicContact CB-CD1 4.13Å; F29-I110 HydrophobicContact CD1-CD1 4.41Å; F29-I110 HydrophobicContact CD2-CD1 3.79Å; F29-I110 HydrophobicContact CD2-CG1 4.2Å; F29-I110 HydrophobicContact CD2-CG2 3.79Å; F29-I110 HydrophobicContact CE2-CB 4.46Å; F29-I110 HydrophobicContact CE2-CD1 4.25Å; F29-I110 HydrophobicContact CE2-CG1 4.14Å; F29-I110 HydrophobicContact CE2-CG2 3.49Å; F29-I110 VanDerWaalsContact CE2-CG2 3.49Å; F29-I110 HydrophobicContact CG-CD1 3.85Å; F29-I110 HydrophobicContact CZ-CG1 4.39Å; F29-I110 HydrophobicContact CZ-CG2 4.32Å; I67-I110 HydrophobicContact CD1-CD1 4.29Å; L97-I110 HydrophobicContact CB-CG2 4.49Å; L97-I110 HydrophobicContact CD1-CG2 4.24Å; D99-I110 HydrophobicContact CB-CD1 4.15Å; D99-I110 HydrophobicContact CB-CG2 4.39Å; A106-I110 PolarHBondContact O-N 2.97Å; A106-I110 VanDerWaalsContact O-N 3.12Å; S107-I110 PolarHBondContact O-N 3.48Å; S107-I110 VanDerWaalsContact O-N 3.12Å; I110-L113 WeakPolarHBondContact O-CB 3.35Å; I110-L113 PolarHBondContact O-N 3.47Å; I110-A114 PolarHBondContact O-N 3.03Å; I110-I121 HydrophobicContact CG2-CD1 3.98Å
111Q76.5Confident73.3Confident36 Ų3627.4 Ų27.417%0.16815%0.149CC..Hα-helixtrans-62.3-43.9175.1-171.9177.552.600112.8S107 C108 G109 L113 A114 Q115 I121 I150S107-Q111 PolarHBondContact O-N 2.97Å; S107-Q111 VanDerWaalsContact O-N 3.12Å; C108-Q111 PolarHBondContact O-N 3.32Å; G109-Q111 VanDerWaalsContact C-N 3.35Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-A114 WeakPolarHBondContact O-CB 3.17Å; Q111-A114 PolarHBondContact O-N 3.48Å; Q111-Q115 PolarHBondContact O-N 2.89Å; Q111-I121 HydrophobicContact CB-CD1 3.83Å; Q111-I121 HydrophobicContact CG-CD1 4.27Å; Q111-I150 HydrophobicContact CG-CD1 3.76Å; Q111-I150 HydrophobicContact CG-CG2 4.43Å
112K75.8Confident73.6Confident107 Ų10727.3 Ų27.347%0.46515%0.149SC..Hα-helixtrans-61.8-43173.2-175.2174.9176.9178.50111.6C108 G109 Q115 Q116 I371C108-K112 WeakPolarHBondContact O-CB 3.31Å; C108-K112 PolarHBondContact O-N 2.89Å; G109-K112 PolarHBondContact O-N 2.96Å; K112-Q115 PolarHBondContact O-N 3.18Å; K112-Q116 WeakPolarHBondContact O-CG 3.32Å; K112-Q116 PolarHBondContact O-N 3.39Å; K112-I371 HydrophobicContact CD-CD1 4.19Å; K112-I371 HydrophobicContact CG-CD1 3.95Å; K112-I371 HydrophobicContact CG-CG1 4.09Å
113L79.8Confident73.9Confident1 Ų125.5 Ų25.51%0.00514%0.138CC..Hα-helixtrans-58.7-47.8174.9176.564.6000111.3F29 I79 I82 L97 G109 I110 Q111 Q115 Q116 I117F29-L113 HydrophobicContact CZ-CD2 4.44Å; I79-L113 HydrophobicContact CB-CD2 4.48Å; I79-L113 HydrophobicContact CD1-CB 4.12Å; I79-L113 HydrophobicContact CD1-CD2 3.95Å; I79-L113 HydrophobicContact CD1-CG 4.48Å; I79-L113 HydrophobicContact CG1-CD2 3.94Å; I79-L113 HydrophobicContact CG2-CD1 4.02Å; I79-L113 HydrophobicContact CG2-CD2 4.3Å; I82-L113 HydrophobicContact CD1-CD2 4.21Å; L97-L113 HydrophobicContact CD1-CD2 4.21Å; L97-L113 HydrophobicContact CD1-CG 4.23Å; G109-L113 PolarHBondContact O-N 3.46Å; I110-L113 WeakPolarHBondContact O-CB 3.35Å; I110-L113 PolarHBondContact O-N 3.47Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; L113-Q115 PolarHBondContact O-N 2.66Å; L113-Q116 PolarHBondContact O-N 2.97Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; L113-I117 HydrophobicContact CD1-CG2 3.84Å; L113-I117 HydrophobicContact CG-CD1 4.36Å; L113-I117 WeakPolarHBondContact O-CG1 3.3Å; L113-I117 PolarHBondContact O-N 3.34Å
114A81.8Confident74Confident0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-55.8-41.2-179.200000112.3L97 I110 Q111 D118 S119 I121 F380L97-A114 HydrophobicContact CD1-CB 3.74Å; L97-A114 HydrophobicContact CG-CB 4.46Å; I110-A114 PolarHBondContact O-N 3.03Å; Q111-A114 WeakPolarHBondContact O-CB 3.17Å; Q111-A114 PolarHBondContact O-N 3.48Å; A114-D118 PolarHBondContact O-N 3.45Å; A114-D118 VanDerWaalsContact O-N 3.11Å; A114-S119 WeakPolarHBondContact CA-OG 3.07Å; A114-S119 PolarHBondContact O-N 2.96Å; A114-S119 PolarHBondContact O-OG 3.35Å; A114-I121 HydrophobicContact CB-CB 3.79Å; A114-I121 HydrophobicContact CB-CD1 4.13Å; A114-I121 HydrophobicContact CB-CG1 4.4Å; A114-I121 HydrophobicContact CB-CG2 4.46Å; A114-F380 HydrophobicContact CB-CD2 4.47Å; A114-F380 HydrophobicContact CB-CE2 4.41Å
115Q77.2Confident74.1Confident4 Ų422.9 Ų22.92%0.01912%0.118CC..Hα-helixtrans-69.2-46.2176.7-68.6175.1-4.100111.5Q111 K112 L113 I117 D118 I371 P372 F380Q111-Q115 PolarHBondContact O-N 2.89Å; K112-Q115 PolarHBondContact O-N 3.18Å; L113-Q115 PolarHBondContact O-N 2.66Å; Q115-I117 VanDerWaalsContact C-N 3.28Å; Q115-I117 PolarHBondContact O-N 3.03Å; Q115-D118 PolarHBondContact O-N 3.46Å; Q115-D118 VanDerWaalsContact O-N 3.15Å; Q115-I371 HydrophobicContact CB-CG2 4Å; Q115-P372 WeakPolarHBondContact O-CD 3.49Å; Q115-P372 WeakPolarHBondContact O-CG 3.05Å; Q115-F380 HydrophobicContact CG-CD2 4.04Å; Q115-F380 HydrophobicContact CG-CE1 4.44Å; Q115-F380 HydrophobicContact CG-CE2 3.76Å; Q115-F380 HydrophobicContact CG-CG 4.48Å; Q115-F380 HydrophobicContact CG-CZ 3.99Å
116Q76.3Confident73.9Confident32 Ų3219 Ų1915%0.1510%0.097CC..Hα-helixtrans-59.4-39.1179.6-74.1178.1-51.100112.6K112 L113 C367 S369 I371K112-Q116 WeakPolarHBondContact O-CG 3.32Å; K112-Q116 PolarHBondContact O-N 3.39Å; L113-Q116 PolarHBondContact O-N 2.97Å; L113-Q116 VanDerWaalsContact O-N 3.12Å; Q116-C367 PolarHBondContact NE2-O 3.06Å; Q116-C367 PolarHBondContact OE1-O 3.48Å; Q116-S369 PolarHBondContact NE2-O 3.06Å; Q116-I371 HydrophobicContact CG-CG1 4.5Å
117I77.3Confident73.3Confident3 Ų323.3 Ų23.32%0.01511%0.114CC..Hα-helixtrans-88.3-4.7179.372.1-177.7000113.4I86 H93 P94 L97 L113 Q115 S119 I366I86-I117 HydrophobicContact CD1-CD1 4.4Å; I86-I117 HydrophobicContact CD1-CG2 4.2Å; H93-I117 PolarHBondContact CE1-O 3.37Å; H93-I117 VanDerWaalsContact CE1-O 3.31Å; H93-I117 PolarHBondContact NE2-O 3.48Å; P94-I117 HydrophobicContact CG-CD1 3.47Å; P94-I117 VanDerWaalsContact CG-CD1 3.47Å; L97-I117 HydrophobicContact CD1-CD1 4.09Å; L97-I117 HydrophobicContact CD2-CD1 4.32Å; L97-I117 HydrophobicContact CG-CD1 4.46Å; L113-I117 HydrophobicContact CD1-CG2 3.84Å; L113-I117 HydrophobicContact CG-CD1 4.36Å; L113-I117 WeakPolarHBondContact O-CG1 3.3Å; L113-I117 PolarHBondContact O-N 3.34Å; Q115-I117 VanDerWaalsContact C-N 3.28Å; Q115-I117 PolarHBondContact O-N 3.03Å; I117-S119 WeakPolarHBondContact CD1-OG 3.44Å; I117-S119 VanDerWaalsContact CG1-OG 3.26Å; I117-S119 WeakPolarHBondContact CG1-OG 3.05Å; I117-I366 HydrophobicContact CG2-CG2 4.03Å
118D77.8Confident72.5Confident9 Ų926 Ų265%0.04813%0.127CC..THydrogen-bonded Turntrans53.959.3-171.9-172.538.3000112.7A114 Q115 I357 T378 R379 F380A114-D118 PolarHBondContact O-N 3.45Å; A114-D118 VanDerWaalsContact O-N 3.11Å; Q115-D118 PolarHBondContact O-N 3.46Å; Q115-D118 VanDerWaalsContact O-N 3.15Å; D118-I357 HydrophobicContact CB-CD1 3.45Å; D118-I357 VanDerWaalsContact CB-CD1 3.45Å; D118-I357 HydrophobicContact CB-CG1 3.87Å; D118-T378 WeakPolarHBondContact OD1-CB 3.43Å; D118-R379 WeakPolarHBondContact O-CB 3.38Å; D118-R379 WeakPolarHBondContact O-CD 3.2Å; D118-R379 WeakPolarHBondContact OD1-CB 3.21Å; D118-R379 PolarHBondContact OD1-N 2.87Å; D118-F380 PolarHBondContact OD1-N 2.95Å
119S83.1Confident71.7Confident0 Ų026.4 Ų26.40%013%0.13CC..  trans-119.5152.217362.30000110.5P94 A114 I117P94-S119 WeakPolarHBondContact O-CB 3.38Å; A114-S119 WeakPolarHBondContact CA-OG 3.07Å; A114-S119 PolarHBondContact O-N 2.96Å; A114-S119 PolarHBondContact O-OG 3.35Å; I117-S119 WeakPolarHBondContact CD1-OG 3.44Å; I117-S119 VanDerWaalsContact CG1-OG 3.26Å; I117-S119 WeakPolarHBondContact CG1-OG 3.05Å
120G80.6Confident70.6Confident0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-60151.3167.300000111D95 L97D95-G120 PolarHBondContact O-N 3.02Å; L97-G120 PolarHBondContact N-O 3.42Å
121I83.8Confident69.4Low6 Ų633.1 Ų33.13%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-126142.2169.7-170.8165.4000110.7L97 I110 Q111 A114 I150 F380 Y383L97-I121 CarbonylContact O-C 3.37Å; L97-I121 WeakPolarHBondContact O-CA 3.03Å; I110-I121 HydrophobicContact CG2-CD1 3.98Å; Q111-I121 HydrophobicContact CB-CD1 3.83Å; Q111-I121 HydrophobicContact CG-CD1 4.27Å; A114-I121 HydrophobicContact CB-CB 3.79Å; A114-I121 HydrophobicContact CB-CD1 4.13Å; A114-I121 HydrophobicContact CB-CG1 4.4Å; A114-I121 HydrophobicContact CB-CG2 4.46Å; I121-I150 HydrophobicContact CG2-CG2 4.18Å; I121-F380 HydrophobicContact CB-CE2 4.32Å; I121-F380 HydrophobicContact CG2-CD2 4.19Å; I121-F380 HydrophobicContact CG2-CE2 3.38Å; I121-F380 HydrophobicContact CG2-CZ 4.04Å; I121-Y383 WeakPolarHBondContact O-CE1 3.34Å
122I81.5Confident68Low1 Ų133.8 Ų33.81%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-134.2129.4168.5-175.6161.9000108.6L96 L97 I98 D99 V153 T336 Y383L96-I122 HydrophobicContact CD1-CB 4.38Å; L96-I122 HydrophobicContact CD1-CG2 3.97Å; L96-I122 HydrophobicContact CD2-CG2 4.36Å; L96-I122 HydrophobicContact CG-CG2 4.31Å; L97-I122 WeakPolarHBondContact O-CG2 3.31Å; L97-I122 PolarHBondContact O-N 3.35Å; I98-I122 CarbonylContact C-O 3.39Å; I98-I122 WeakPolarHBondContact CA-O 3.46Å; I98-I122 HydrophobicContact CB-CG2 3.76Å; I98-I122 HydrophobicContact CD1-CG2 4.21Å; I98-I122 HydrophobicContact CG1-CG2 3.51Å; I98-I122 HydrophobicContact CG2-CG2 3.75Å; D99-I122 PolarHBondContact N-O 3.4Å; I122-V153 HydrophobicContact CD1-CB 3.58Å; I122-V153 HydrophobicContact CD1-CG1 4.05Å; I122-V153 HydrophobicContact CD1-CG2 3.4Å; I122-V153 HydrophobicContact CG1-CB 3.56Å; I122-V153 HydrophobicContact CG1-CG1 4.45Å; I122-V153 HydrophobicContact CG1-CG2 3.59Å; I122-T336 HydrophobicContact CD1-CG2 3.97Å; I122-T336 WeakPolarHBondContact CD1-O 3.32Å; I122-T336 HydrophobicContact CG1-CG2 3.83Å; I122-Y383 HydrophobicContact CB-CE1 4.49Å
123S72.7Confident66.7Low14 Ų1434.9 Ų34.910%0.09818%0.178CC..EExtended strand (participates in β ladder)trans-131.5145.9176.3179.10000110.6D99 N125 S152 V153D99-S123 WeakPolarHBondContact O-CA 3.23Å; D99-S123 PolarHBondContact OD2-OG 3.36Å; S123-N125 PolarHBondContact O-N 3.08Å; S123-N125 PolarHBondContact OG-N 3.45Å; S123-S152 CarbonylContact O-C 3.59Å; S123-S152 WeakPolarHBondContact O-CB 3.31Å; S123-V153 CarbonylContact C-O 3.48Å; S123-V153 CarbonylContact O-C 3.54Å; S123-V153 PolarHBondContact O-N 2.99Å
124L62.9Low65.3Low9 Ų936.4 Ų36.45%0.04719%0.186CC..SBendtrans-65.2-13.4173.3-83.9173.2000114.1D99 L100 V153 K154 F155 V333 T336D99-L124 PolarHBondContact O-N 3.16Å; L100-L124 HydrophobicContact CB-CD1 4.39Å; L100-L124 HydrophobicContact CD2-CD1 4.04Å; L100-L124 HydrophobicContact CD2-CG 4.23Å; L124-V153 WeakPolarHBondContact CA-O 3.39Å; L124-K154 WeakPolarHBondContact O-CA 3.12Å; L124-K154 VanDerWaalsContact O-CB 3.27Å; L124-K154 WeakPolarHBondContact O-CB 3.39Å; L124-K154 VanDerWaalsContact O-CG 3.25Å; L124-K154 WeakPolarHBondContact O-CG 3.45Å; L124-F155 HydrophobicContact CD2-CB 3.83Å; L124-F155 HydrophobicContact CD2-CD2 4.22Å; L124-V333 HydrophobicContact CD1-CG2 4.21Å; L124-T336 HydrophobicContact CD2-CG2 4.49Å; L124-T336 WeakPolarHBondContact CD2-OG1 3.23Å; L124-T336 HydrophobicContact CG-CG2 4.44Å
125N61.3Low63.4Low26 Ų2642.8 Ų42.814%0.13922%0.22CC..  trans-128.6140.3-172.2-65.9-48.7000112.6T101 P103 S123 S152T101-N125 PolarHBondContact O-ND2 3.02Å; P103-N125 WeakPolarHBondContact CD-ND2 3.19Å; S123-N125 PolarHBondContact O-N 3.08Å; S123-N125 PolarHBondContact OG-N 3.45Å; N125-S152 WeakPolarHBondContact O-CB 3.43Å; N125-S152 PolarHBondContact O-OG 3.12Å
126Y54.4Low61.8Low85 Ų8545.8 Ų45.833%0.33323%0.234SC..SBendtrans-95.6-35-178.2178.6-91.2000113.7S152Y126-S152 WeakPolarHBondContact CA-OG 3.48Å; Y126-S152 VanDerWaalsContact CB-OG 3.31Å; Y126-S152 WeakPolarHBondContact CB-OG 3.37Å
127F49.1Very low60.4Low101 Ų10150.7 Ų50.744%0.44327%0.266SS..SBendtrans-104123-174.5-66-77.7000108.6
128D51.1Low58.8Low71 Ų7157.3 Ų57.338%0.3830%0.301SS..SBendtrans167.4-12.1157.2-91.3-2.1000112.6P103 S104 C108P103-D128 VanDerWaalsContact CA-OD2 3.23Å; P103-D128 WeakPolarHBondContact CA-OD2 3.33Å; P103-D128 WeakPolarHBondContact CB-OD2 3.47Å; S104-D128 PolarHBondContact N-OD2 2.96Å; S104-D128 VanDerWaalsContact N-OD2 3.17Å; C108-D128 PolarHBondContact SG-O 2.97Å; C108-D128 VanDerWaalsContact SG-O 3.35Å
129C51.7Low57.1Low39 Ų3961 Ų6126%0.26432%0.32SS..SBendtrans-108.7131.8177.8-51.10000110.2C108C108-C129 WeakPolarHBondContact CA-SG 3.03Å; C108-C129 HydrophobicContact CB-CB 3.93Å; C108-C129 WeakPolarHBondContact CB-SG 3.43Å; C108-C129 PolarHBondContact N-SG 3.26Å; C108-C129 VanDerWaalsContact N-SG 3.4Å; C108-C129 WeakPolarHBondContact SG-CA 3.35Å; C108-C129 WeakPolarHBondContact SG-CB 3.28Å; C108-C129 CovalentContact SG-SG 2.04Å; C108-C129 PolarHBondContact SG-SG 2.78Å
130P51Low55Low106 Ų10668.9 Ų68.969%0.68836%0.362SS*.  trans-54.2141.517322.8-31.6000109.2L132P130-L132 PolarHBondContact O-N 2.65Å
131P50.7Low53Low45 Ų4577.5 Ų77.529%0.29240%0.4SS..  trans-51.9128.8176.620.3-30.9000109Y133 E147P131-Y133 HydrophobicContact CB-CE2 4.42Å; P131-Y133 HydrophobicContact CG-CE2 3.75Å; P131-Y133 WeakPolarHBondContact CG-OH 3.48Å; P131-Y133 VanDerWaalsContact O-CD2 3.23Å; P131-Y133 WeakPolarHBondContact O-CD2 3.42Å; P131-Y133 PolarHBondContact O-N 3.26Å; P131-E147 HydrophobicContact CB-CB 4.19Å; P131-E147 HydrophobicContact CB-CG 4.03Å; P131-E147 HydrophobicContact CG-CG 4.41Å
132L47.1Very low50.9Low51 Ų5181.7 Ų81.727%0.26743%0.429SS..EExtended strand (participates in β ladder)trans-74.9100.1178.9-157.2112.8000107.5P130 I134 L148 I150P130-L132 PolarHBondContact O-N 2.65Å; L132-I134 HydrophobicContact CD2-CG1 4.1Å; L132-I134 PolarHBondContact O-N 2.91Å; L132-L148 PolarHBondContact O-N 2.72Å; L132-I150 HydrophobicContact CB-CD1 4.25Å
133Y49.9Very low48.8Very low129 Ų12989.7 Ų89.751%0.50647%0.472SS..EExtended strand (participates in β ladder)trans-73.1107.9174.5-64.6-79.9000109.2P131 N135 I145 E147P131-Y133 HydrophobicContact CB-CE2 4.42Å; P131-Y133 HydrophobicContact CG-CE2 3.75Å; P131-Y133 WeakPolarHBondContact CG-OH 3.48Å; P131-Y133 VanDerWaalsContact O-CD2 3.23Å; P131-Y133 WeakPolarHBondContact O-CD2 3.42Å; P131-Y133 PolarHBondContact O-N 3.26Å; Y133-N135 PolarHBondContact O-N 3.39Å; Y133-I145 HydrophobicContact CD1-CG2 4.42Å; Y133-E147 HydrophobicContact CD1-CG 3.95Å; Y133-E147 HydrophobicContact CE1-CG 3.32Å; Y133-E147 WeakPolarHBondContact CE1-OE1 3.16Å; Y133-E147 PolarHBondContact OH-OE1 3.48Å
134I49.7Very low47.2Very low34 Ų3494.5 Ų94.517%0.17450%0.496CS..  trans-84.1108.8173.4-56.5-178.4000108.1L132 Q136 L148 I373 V374L132-I134 HydrophobicContact CD2-CG1 4.1Å; L132-I134 PolarHBondContact O-N 2.91Å; I134-Q136 PolarHBondContact O-N 2.73Å; I134-Q136 VanDerWaalsContact O-N 3.12Å; I134-L148 HydrophobicContact CD1-CB 4.21Å; I134-L148 HydrophobicContact CD1-CD1 3.93Å; I134-L148 HydrophobicContact CD1-CD2 4.08Å; I134-L148 HydrophobicContact CD1-CG 4.28Å; I134-L148 HydrophobicContact CG1-CB 4.5Å; I134-I373 HydrophobicContact CG2-CG2 4.29Å; I134-V374 HydrophobicContact CD1-CB 4.09Å; I134-V374 HydrophobicContact CD1-CG2 4.47Å
135N42.1Very low46Very low134 Ų134101.3 Ų101.372%0.71753%0.531SS*.  trans-69.2107.4171.9-82.1-19.7000110.1Y133 T137Y133-N135 PolarHBondContact O-N 3.39Å; N135-T137 PolarHBondContact O-N 3.45Å; N135-T137 VanDerWaalsContact O-N 3.17Å
136Q44.2Very low45.2Very low66 Ų66102.4 Ų102.431%0.30854%0.539SS..G310 helixtrans-71.56179.7-78.9-177-20.100115.2I134 L138 L139 L144I134-Q136 PolarHBondContact O-N 2.73Å; I134-Q136 VanDerWaalsContact O-N 3.12Å; Q136-L138 PolarHBondContact O-N 2.94Å; Q136-L139 PolarHBondContact O-N 3.37Å; Q136-L144 PolarHBondContact OE1-O 3.3Å
137T46.9Very low44.8Very low135 Ų135102.8 Ų102.883%0.82854%0.543SS*.G310 helixtrans-64-9.8-174.545.90000114.7N135N135-T137 PolarHBondContact O-N 3.45Å; N135-T137 VanDerWaalsContact O-N 3.17Å
138L43.6Very low44.7Very low142 Ų14299.5 Ų99.574%0.74353%0.53SS*.G310 helixtrans-93.8-6.3171.8-86.5154000114.7Q136 I373Q136-L138 PolarHBondContact O-N 2.94Å; L138-I373 HydrophobicContact CB-CD1 4.27Å; L138-I373 HydrophobicContact CD1-CD1 4.15Å
139L41.1Very low44.7Very low87 Ų87100.3 Ų100.346%0.45554%0.535SS..SBendtrans-123.3101.2-179.2-75159.6000108.9Q136 K141 I373Q136-L139 PolarHBondContact O-N 3.37Å; L139-K141 PolarHBondContact O-N 2.96Å; L139-I373 HydrophobicContact CD1-CG2 4.13Å
140N38.9Very low44.7Very low166 Ų16699.3 Ų99.389%0.88853%0.526SS*.  trans-51.192.4174.4-80.2-25.5000111.8
141K38.4Very low44.6Very low181 Ų18195.4 Ų95.479%0.78750%0.501SS*.SBendtrans172.2114.6142.2-95.7163.2-176.7-175.20111L139L139-K141 PolarHBondContact O-N 2.96Å
142S40.9Very low44.7Very low93 Ų9393.8 Ų93.865%0.6549%0.491SS*.  trans44.997.7150.458.60000119.5L144S142-L144 PolarHBondContact O-N 3.5Å
143N37.8Very low45.2Very low169 Ų16991.5 Ų91.590%0.90448%0.479SS*.  trans28.553.2138-67.2-2.1000118.8
144L38Very low45.4Very low115 Ų11586.4 Ų86.460%0.60246%0.459SS*.  trans-103.7107.8158.9-88.2137.4000107.7Q136 S142 T146Q136-L144 PolarHBondContact OE1-O 3.3Å; S142-L144 PolarHBondContact O-N 3.5Å; L144-T146 HydrophobicContact CB-CG2 4.15Å; L144-T146 PolarHBondContact O-N 3.37Å
145I38.2Very low45.9Very low153 Ų15384.9 Ų84.979%0.78545%0.452SS*.  trans-66.685.6162.2-54.8170.4000105.5Y133 E147Y133-I145 HydrophobicContact CD1-CG2 4.42Å; I145-E147 PolarHBondContact O-N 3.06Å
146T45.2Very low46.4Very low48 Ų4878.7 Ų78.729%0.29442%0.419SS..  trans-82.396.6169.352.10000107L144 L148L144-T146 HydrophobicContact CB-CG2 4.15Å; L144-T146 PolarHBondContact O-N 3.37Å; T146-L148 VanDerWaalsContact C-N 3.32Å; T146-L148 PolarHBondContact O-N 2.99Å
147E44.9Very low46.7Very low93 Ų9377.8 Ų77.844%0.43542%0.419SS..EExtended strand (participates in β ladder)trans-56107.4147.8-76.5-176.4171.300106.1P131 Y133 I145 N149P131-E147 HydrophobicContact CB-CB 4.19Å; P131-E147 HydrophobicContact CB-CG 4.03Å; P131-E147 HydrophobicContact CG-CG 4.41Å; Y133-E147 HydrophobicContact CD1-CG 3.95Å; Y133-E147 HydrophobicContact CE1-CG 3.32Å; Y133-E147 WeakPolarHBondContact CE1-OE1 3.16Å; Y133-E147 PolarHBondContact OH-OE1 3.48Å; I145-E147 PolarHBondContact O-N 3.06Å; E147-N149 PolarHBondContact O-N 3.34Å
148L47.6Very low46.8Very low32 Ų3271.7 Ų71.717%0.16838%0.383CS..EExtended strand (participates in β ladder)trans-76.588.9172.1-144.491.1000106.3L132 I134 T146 I150 V374 F380L132-L148 PolarHBondContact O-N 2.72Å; I134-L148 HydrophobicContact CD1-CB 4.21Å; I134-L148 HydrophobicContact CD1-CD1 3.93Å; I134-L148 HydrophobicContact CD1-CD2 4.08Å; I134-L148 HydrophobicContact CD1-CG 4.28Å; I134-L148 HydrophobicContact CG1-CB 4.5Å; T146-L148 VanDerWaalsContact C-N 3.32Å; T146-L148 PolarHBondContact O-N 2.99Å; L148-I150 VanDerWaalsContact C-N 3.28Å; L148-I150 HydrophobicContact CD2-CG1 4.35Å; L148-I150 PolarHBondContact O-N 2.83Å; L148-V374 HydrophobicContact CD2-CB 4.49Å; L148-V374 HydrophobicContact CD2-CG1 4.29Å; L148-F380 HydrophobicContact CD2-CE1 4.37Å
149N50.2Low47.1Very low89 Ų8965 Ų6548%0.47635%0.347SS..  trans-63.996.2165.3-74-26.6000107E147 P151E147-N149 PolarHBondContact O-N 3.34Å; N149-P151 VanDerWaalsContact O-CD 3.28Å; N149-P151 WeakPolarHBondContact O-CD 3.44Å
150I53.4Low47.7Very low17 Ų1761.6 Ų61.69%0.08733%0.33CS..  trans-65.8122.7-178.6-65.1160.9000107.5Q111 I121 L132 L148 S152 F380Q111-I150 HydrophobicContact CG-CD1 3.76Å; Q111-I150 HydrophobicContact CG-CG2 4.43Å; I121-I150 HydrophobicContact CG2-CG2 4.18Å; L132-I150 HydrophobicContact CB-CD1 4.25Å; L148-I150 VanDerWaalsContact C-N 3.28Å; L148-I150 HydrophobicContact CD2-CG1 4.35Å; L148-I150 PolarHBondContact O-N 2.83Å; I150-S152 PolarHBondContact O-N 3.01Å; I150-F380 HydrophobicContact CB-CZ 4.45Å; I150-F380 HydrophobicContact CD1-CZ 4.27Å; I150-F380 HydrophobicContact CG1-CE1 4.37Å; I150-F380 HydrophobicContact CG1-CZ 4.05Å; I150-F380 HydrophobicContact CG2-CE1 4.34Å; I150-F380 HydrophobicContact CG2-CE2 4.41Å; I150-F380 HydrophobicContact CG2-CZ 3.58Å
151P47.3Very low48.4Very low25 Ų2553.9 Ų53.916%0.16229%0.289CS..  trans-60.7111.7176.8-20.730.1000111.3N149 L384 V406N149-P151 VanDerWaalsContact O-CD 3.28Å; N149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-L384 HydrophobicContact CB-CD2 3.94Å; P151-L384 HydrophobicContact CG-CB 3.85Å; P151-L384 HydrophobicContact CG-CD1 3.97Å; P151-L384 HydrophobicContact CG-CD2 3.57Å; P151-L384 HydrophobicContact CG-CG 3.91Å; P151-V406 HydrophobicContact CB-CG2 4.34Å
152S53.6Low49Very low11 Ų1145.7 Ų45.78%0.07726%0.255CS..  trans-96.3137161.162.30000108.9S123 N125 Y126 I150 K154S123-S152 CarbonylContact O-C 3.59Å; S123-S152 WeakPolarHBondContact O-CB 3.31Å; N125-S152 WeakPolarHBondContact O-CB 3.43Å; N125-S152 PolarHBondContact O-OG 3.12Å; Y126-S152 WeakPolarHBondContact CA-OG 3.48Å; Y126-S152 VanDerWaalsContact CB-OG 3.31Å; Y126-S152 WeakPolarHBondContact CB-OG 3.37Å; I150-S152 PolarHBondContact O-N 3.01Å; S152-K154 PolarHBondContact O-N 2.99Å
153V56.5Low49.5Very low2 Ų241.5 Ų41.51%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-87.592.7170.7174.70000108.9I122 S123 L124 F155 I387 V406I122-V153 HydrophobicContact CD1-CB 3.58Å; I122-V153 HydrophobicContact CD1-CG1 4.05Å; I122-V153 HydrophobicContact CD1-CG2 3.4Å; I122-V153 HydrophobicContact CG1-CB 3.56Å; I122-V153 HydrophobicContact CG1-CG1 4.45Å; I122-V153 HydrophobicContact CG1-CG2 3.59Å; S123-V153 CarbonylContact C-O 3.48Å; S123-V153 CarbonylContact O-C 3.54Å; S123-V153 PolarHBondContact O-N 2.99Å; L124-V153 WeakPolarHBondContact CA-O 3.39Å; V153-F155 HydrophobicContact CG1-CD2 3.98Å; V153-F155 HydrophobicContact CG1-CE2 3.42Å; V153-F155 VanDerWaalsContact CG1-CE2 3.42Å; V153-F155 HydrophobicContact CG1-CZ 4.21Å; V153-F155 PolarHBondContact O-N 3.44Å; V153-I387 HydrophobicContact CG2-CD1 4.32Å; V153-I387 HydrophobicContact CG2-CG2 3.93Å; V153-V406 CarbonylContact C-O 3.59Å; V153-V406 HydrophobicContact CB-CB 4.31Å; V153-V406 HydrophobicContact CB-CG1 3.74Å; V153-V406 HydrophobicContact CG1-CG1 3.7Å; V153-V406 HydrophobicContact CG2-CB 3.89Å; V153-V406 HydrophobicContact CG2-CG1 3.33Å; V153-V406 HydrophobicContact CG2-CG2 4.29Å
154K56.1Low50.3Low22 Ų2233.6 Ų33.610%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-87.8109.8179.1173173.1-173.2-177.90110.9L124 S152 P156 V406 T407 N408L124-K154 WeakPolarHBondContact O-CA 3.12Å; L124-K154 VanDerWaalsContact O-CB 3.27Å; L124-K154 WeakPolarHBondContact O-CB 3.39Å; L124-K154 VanDerWaalsContact O-CG 3.25Å; L124-K154 WeakPolarHBondContact O-CG 3.45Å; S152-K154 PolarHBondContact O-N 2.99Å; K154-P156 HydrophobicContact CD-CB 4.4Å; K154-P156 HydrophobicContact CG-CB 4.04Å; K154-V406 PolarHBondContact N-O 2.97Å; K154-T407 HydrophobicContact CB-CG2 4.23Å; K154-T407 WeakPolarHBondContact O-CA 3.42Å; K154-N408 PolarHBondContact O-N 2.83Å
155F59Low51Low3 Ų328.1 Ų28.11%0.01315%0.154CC..  trans-91.7106.9155.6-70.8-82.2000106.6L124 V153 P157 S332 E335 T336 I400 N408L124-F155 HydrophobicContact CD2-CB 3.83Å; L124-F155 HydrophobicContact CD2-CD2 4.22Å; V153-F155 HydrophobicContact CG1-CD2 3.98Å; V153-F155 HydrophobicContact CG1-CE2 3.42Å; V153-F155 VanDerWaalsContact CG1-CE2 3.42Å; V153-F155 HydrophobicContact CG1-CZ 4.21Å; V153-F155 PolarHBondContact O-N 3.44Å; F155-P157 WeakPolarHBondContact O-CD 3.25Å; F155-P157 VanDerWaalsContact O-N 3.12Å; F155-S332 VanDerWaalsContact CB-CB 3.47Å; F155-E335 HydrophobicContact CD1-CB 3.86Å; F155-E335 HydrophobicContact CD2-CB 4.09Å; F155-E335 HydrophobicContact CE1-CB 3.43Å; F155-E335 VanDerWaalsContact CE1-CB 3.43Å; F155-E335 HydrophobicContact CE1-CG 4.11Å; F155-E335 HydrophobicContact CE2-CB 3.65Å; F155-E335 WeakPolarHBondContact CE2-O 3.17Å; F155-E335 HydrophobicContact CG-CB 4.18Å; F155-E335 HydrophobicContact CZ-CB 3.33Å; F155-E335 HydrophobicContact CZ-CG 4.38Å; F155-T336 WeakPolarHBondContact CD2-OG1 3.31Å; F155-I400 HydrophobicContact CE1-CD1 3.59Å; F155-I400 HydrophobicContact CE1-CG1 3.94Å; F155-I400 HydrophobicContact CE1-CG2 4.49Å; F155-I400 HydrophobicContact CZ-CD1 3.87Å; F155-I400 HydrophobicContact CZ-CG1 4.48Å; F155-I400 HydrophobicContact CZ-CG2 4.44Å; F155-N408 HydrophobicContact CD1-CB 4.1Å; F155-N408 HydrophobicContact CE1-CB 4.31Å
156P53.5Low51.6Low3 Ų321.6 Ų21.62%0.01912%0.123CC..  trans-76.7104.2-150.630.1-38.9000113.3K154 G158 A159 F328 Y438K154-P156 HydrophobicContact CD-CB 4.4Å; K154-P156 HydrophobicContact CG-CB 4.04Å; P156-G158 PolarHBondContact O-N 3.04Å; P156-A159 HydrophobicContact CB-CB 3.31Å; P156-A159 HydrophobicContact CG-CB 3.22Å; P156-A159 WeakPolarHBondContact O-CB 3.43Å; P156-A159 PolarHBondContact O-N 3.35Å; P156-F328 VanDerWaalsContact O-CE1 3.22Å; P156-F328 WeakPolarHBondContact O-CE1 3.49Å; P156-F328 WeakPolarHBondContact O-CZ 3.24Å; P156-Y438 HydrophobicContact CG-CE1 4.47Å
157P49.4Very low52.2Low48 Ų4819.5 Ų19.531%0.31211%0.11SC..Hα-helixtrans-63.1-38167.428.3-34.4000110F155 A159 L160F155-P157 WeakPolarHBondContact O-CD 3.25Å; F155-P157 VanDerWaalsContact O-N 3.12Å; P157-A159 VanDerWaalsContact C-N 3.32Å; P157-A159 PolarHBondContact O-N 2.86Å; P157-L160 WeakPolarHBondContact O-CB 3.22Å; P157-L160 PolarHBondContact O-N 3.45Å
158G49.3Very low52.6Low7 Ų715 Ų157%0.0729%0.089CC..Hα-helixtrans-74.5-9.8175.600000115.8P156 L160 A161 S162 Y199P156-G158 PolarHBondContact O-N 3.04Å; G158-L160 PolarHBondContact O-N 2.79Å; G158-A161 PolarHBondContact O-N 3.43Å; G158-S162 VanDerWaalsContact O-CB 3.32Å; G158-S162 WeakPolarHBondContact O-CB 3.35Å; G158-S162 PolarHBondContact O-N 2.97Å; G158-S162 PolarHBondContact O-OG 2.84Å; G158-Y199 VanDerWaalsContact CA-OH 3.27Å; G158-Y199 WeakPolarHBondContact CA-OH 3.24Å
159A50.7Low52.8Low0 Ų016.1 Ų16.10%010%0.095CC..Hα-helixtrans-64.6-30.9169.200000109.6P156 P157 S162 A163 Y438P156-A159 HydrophobicContact CB-CB 3.31Å; P156-A159 HydrophobicContact CG-CB 3.22Å; P156-A159 WeakPolarHBondContact O-CB 3.43Å; P156-A159 PolarHBondContact O-N 3.35Å; P157-A159 VanDerWaalsContact C-N 3.32Å; P157-A159 PolarHBondContact O-N 2.86Å; A159-S162 PolarHBondContact O-N 3.11Å; A159-A163 WeakPolarHBondContact O-CA 3.37Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 2.78Å; A159-Y438 HydrophobicContact CB-CD1 3.55Å; A159-Y438 HydrophobicContact CB-CD2 4.4Å; A159-Y438 HydrophobicContact CB-CE1 3.69Å; A159-Y438 HydrophobicContact CB-CG 3.93Å
160L53.8Low52.9Low17 Ų1714.2 Ų14.29%0.0899%0.087CC..Hα-helixtrans-58.4-58.4173.9-163.780.9000110.4P157 G158 S162 A163 L164 L237 Y264 F413P157-L160 WeakPolarHBondContact O-CB 3.22Å; P157-L160 PolarHBondContact O-N 3.45Å; G158-L160 PolarHBondContact O-N 2.79Å; L160-S162 VanDerWaalsContact C-N 3.29Å; L160-S162 PolarHBondContact O-N 2.04Å; L160-A163 PolarHBondContact O-N 3.48Å; L160-L164 HydrophobicContact CD2-CD1 4.17Å; L160-L164 HydrophobicContact CG-CD1 3.79Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 WeakPolarHBondContact O-CB 3.49Å; L160-L164 VanDerWaalsContact O-CD1 3.24Å; L160-L164 WeakPolarHBondContact O-CD1 3.01Å; L160-L164 WeakPolarHBondContact O-CG 3.32Å; L160-L164 PolarHBondContact O-N 3Å; L160-L237 HydrophobicContact CD2-CD2 3.29Å; L160-L237 HydrophobicContact CG-CD2 4.1Å; L160-Y264 HydrophobicContact CD1-CD1 4.3Å; L160-Y264 HydrophobicContact CD1-CD2 3.37Å; L160-Y264 HydrophobicContact CD1-CE1 4.07Å; L160-Y264 HydrophobicContact CD1-CE2 3.13Å; L160-Y264 HydrophobicContact CD1-CG 3.93Å; L160-Y264 VanDerWaalsContact CD1-CZ 3.47Å; L160-Y264 HydrophobicContact CD2-CD1 3.3Å; L160-Y264 HydrophobicContact CD2-CD2 3.88Å; L160-Y264 HydrophobicContact CD2-CE1 3.44Å; L160-Y264 VanDerWaalsContact CD2-CE1 3.44Å; L160-Y264 HydrophobicContact CD2-CE2 4.05Å; L160-Y264 HydrophobicContact CD2-CG 3.47Å; L160-Y264 VanDerWaalsContact CD2-CG 3.47Å; L160-Y264 HydrophobicContact CG-CD1 4.28Å; L160-Y264 HydrophobicContact CG-CD2 3.98Å; L160-Y264 HydrophobicContact CG-CE1 4.35Å; L160-Y264 HydrophobicContact CG-CE2 4.11Å; L160-Y264 HydrophobicContact CG-CG 4.04Å; L160-F413 HydrophobicContact CD1-CD1 4.48Å; L160-F413 HydrophobicContact CD1-CE1 3.6Å; L160-F413 HydrophobicContact CD1-CZ 4.06Å
161A52.8Low52.9Low4 Ų415.4 Ų15.43%0.0339%0.093CC..Hα-helixtrans-58.8-38.7177.500000113.2G158 S165 I181 R204 Y206 L237G158-A161 PolarHBondContact O-N 3.43Å; A161-S165 WeakPolarHBondContact O-CB 3.45Å; A161-S165 PolarHBondContact O-N 2.03Å; A161-I181 HydrophobicContact CB-CD1 4.26Å; A161-R204 PolarHBondContact O-NH1 2.79Å; A161-Y206 VanDerWaalsContact CB-OH 3.31Å; A161-Y206 WeakPolarHBondContact CB-OH 3.34Å; A161-L237 HydrophobicContact CB-CD1 3.8Å
162S50.2Low53.1Low9 Ų914.8 Ų14.86%0.0639%0.09CC..Hα-helixtrans-69-46.2177.9-59.50000112.5G158 A159 L160 S165 A166 Y199G158-S162 VanDerWaalsContact O-CB 3.32Å; G158-S162 WeakPolarHBondContact O-CB 3.35Å; G158-S162 PolarHBondContact O-N 2.97Å; G158-S162 PolarHBondContact O-OG 2.84Å; A159-S162 PolarHBondContact O-N 3.11Å; L160-S162 VanDerWaalsContact C-N 3.29Å; L160-S162 PolarHBondContact O-N 2.04Å; S162-S165 PolarHBondContact O-N 2.83Å; S162-A166 VanDerWaalsContact O-CB 3.26Å; S162-A166 WeakPolarHBondContact O-CB 3.31Å; S162-A166 PolarHBondContact O-N 2.91Å; S162-Y199 WeakPolarHBondContact OG-CD1 3.35Å; S162-Y199 WeakPolarHBondContact OG-CE1 3.22Å
163A51.7Low52.9Low4 Ų415.4 Ų15.43%0.03310%0.097CC..Hα-helixtrans-63.2-49.8177.400000110A159 L160 S165 A166 F167 F413 F436A159-A163 WeakPolarHBondContact O-CA 3.37Å; A159-A163 WeakPolarHBondContact O-CB 3.41Å; A159-A163 PolarHBondContact O-N 2.78Å; L160-A163 PolarHBondContact O-N 3.48Å; A163-S165 VanDerWaalsContact C-N 3.3Å; A163-S165 PolarHBondContact O-N 3.33Å; A163-A166 PolarHBondContact O-N 3.35Å; A163-F167 WeakPolarHBondContact O-CA 3.37Å; A163-F167 WeakPolarHBondContact O-CB 3.2Å; A163-F167 PolarHBondContact O-N 3.25Å; A163-F413 HydrophobicContact CB-CD2 3.99Å; A163-F413 HydrophobicContact CB-CE2 3.79Å; A163-F413 HydrophobicContact CB-CZ 4.5Å; A163-F436 HydrophobicContact CB-CD1 3.55Å; A163-F436 HydrophobicContact CB-CE1 3.23Å; A163-F436 HydrophobicContact CB-CZ 4.16Å
164L55.9Low52.4Low3 Ų317.8 Ų17.82%0.01611%0.113CC..Hα-helixtrans-54.4-43.5176-78165.3000112.3L160 A168 L235 L237 I262 L297L160-L164 HydrophobicContact CD2-CD1 4.17Å; L160-L164 HydrophobicContact CG-CD1 3.79Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 WeakPolarHBondContact O-CB 3.49Å; L160-L164 VanDerWaalsContact O-CD1 3.24Å; L160-L164 WeakPolarHBondContact O-CD1 3.01Å; L160-L164 WeakPolarHBondContact O-CG 3.32Å; L160-L164 PolarHBondContact O-N 3Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.4Å; L164-L235 HydrophobicContact CB-CD1 3.52Å; L164-L235 HydrophobicContact CB-CD2 3.47Å; L164-L235 VanDerWaalsContact CB-CD2 3.47Å; L164-L235 HydrophobicContact CB-CG 4.1Å; L164-L235 HydrophobicContact CD1-CD1 4Å; L164-L235 HydrophobicContact CD1-CD2 4Å; L164-L235 HydrophobicContact CD1-CG 4.33Å; L164-L235 HydrophobicContact CD2-CD1 3.57Å; L164-L235 HydrophobicContact CG-CD1 3.89Å; L164-L235 HydrophobicContact CG-CD2 4.29Å; L164-L237 HydrophobicContact CD1-CD1 4.28Å; L164-L237 HydrophobicContact CD1-CD2 3.15Å; L164-L237 HydrophobicContact CD1-CG 3.83Å; L164-I262 HydrophobicContact CD2-CG2 3.58Å; L164-L297 HydrophobicContact CD2-CB 4.17Å; L164-L297 HydrophobicContact CD2-CD1 3.04Å; L164-L297 HydrophobicContact CD2-CG 4.18Å; L164-L297 HydrophobicContact CG-CD1 4.07Å
165S51.6Low51.6Low0 Ų018.7 Ų18.70%012%0.118CC..Hα-helixtrans-82.6-32.9179.4167.80000113.9A161 S162 A163 F167 A168 N169 T179 R204A161-S165 WeakPolarHBondContact O-CB 3.45Å; A161-S165 PolarHBondContact O-N 2.03Å; S162-S165 PolarHBondContact O-N 2.83Å; A163-S165 VanDerWaalsContact C-N 3.3Å; A163-S165 PolarHBondContact O-N 3.33Å; S165-F167 PolarHBondContact O-N 3.33Å; S165-A168 WeakPolarHBondContact O-CB 3.39Å; S165-A168 PolarHBondContact O-N 2.95Å; S165-N169 VanDerWaalsContact O-CG 3.25Å; S165-N169 PolarHBondContact O-N 3.49Å; S165-N169 PolarHBondContact O-ND2 3.34Å; S165-T179 PolarHBondContact OG-OG1 2.94Å; S165-R204 VanDerWaalsContact CB-NE 3.31Å; S165-R204 PolarHBondContact OG-NE 3.13Å; S165-R204 PolarHBondContact OG-NH2 3.43Å
166A51.6Low50.9Low16 Ų1627.7 Ų27.713%0.13215%0.152CC..Hα-helixtrans-60.2-43.3168.900000110.2S162 A163 N169 T170 F436S162-A166 VanDerWaalsContact O-CB 3.26Å; S162-A166 WeakPolarHBondContact O-CB 3.31Å; S162-A166 PolarHBondContact O-N 2.91Å; A163-A166 PolarHBondContact O-N 3.35Å; A166-N169 WeakPolarHBondContact O-CB 3.43Å; A166-N169 PolarHBondContact O-N 3.45Å; A166-T170 PolarHBondContact O-N 2.96Å; A166-T170 PolarHBondContact O-OG1 3.04Å; A166-F436 HydrophobicContact CB-CE2 3.76Å; A166-F436 HydrophobicContact CB-CZ 3.67Å
167F56.6Low50.4Low4 Ų427.9 Ų27.92%0.01815%0.153CC..Hα-helixtrans-64.9-40.5173.6179.9-107.1000112.4A163 S165 N169 T170 I171 I262 L297 L415 I443A163-F167 WeakPolarHBondContact O-CA 3.37Å; A163-F167 WeakPolarHBondContact O-CB 3.2Å; A163-F167 PolarHBondContact O-N 3.25Å; S165-F167 PolarHBondContact O-N 3.33Å; F167-N169 VanDerWaalsContact C-N 3.34Å; F167-N169 PolarHBondContact O-N 3.1Å; F167-T170 WeakPolarHBondContact CA-OG1 3.34Å; F167-T170 PolarHBondContact O-N 3.44Å; F167-T170 PolarHBondContact O-OG1 2.69Å; F167-I171 HydrophobicContact CD1-CD1 3.88Å; F167-I171 HydrophobicContact CE1-CD1 3.02Å; F167-I171 HydrophobicContact CE1-CG1 3.81Å; F167-I171 HydrophobicContact CE2-CD1 4.04Å; F167-I171 HydrophobicContact CE2-CG1 3.88Å; F167-I171 HydrophobicContact CZ-CD1 3.04Å; F167-I171 HydrophobicContact CZ-CG1 3.35Å; F167-I171 PolarHBondContact O-N 3.36Å; F167-I262 HydrophobicContact CD1-CD1 3.82Å; F167-I262 HydrophobicContact CD1-CG1 4.45Å; F167-I262 HydrophobicContact CD1-CG2 4.46Å; F167-I262 HydrophobicContact CE1-CD1 4.01Å; F167-I262 HydrophobicContact CE1-CG1 4.3Å; F167-L297 HydrophobicContact CD1-CD1 3.8Å; F167-L297 HydrophobicContact CE1-CD1 4.31Å; F167-L415 HydrophobicContact CD1-CD1 4.27Å; F167-L415 HydrophobicContact CE1-CD1 3.25Å; F167-L415 HydrophobicContact CE1-CD2 4.07Å; F167-L415 HydrophobicContact CE1-CG 4.25Å; F167-L415 HydrophobicContact CE2-CD1 4.08Å; F167-L415 HydrophobicContact CE2-CD2 3.56Å; F167-L415 HydrophobicContact CE2-CG 4.3Å; F167-L415 HydrophobicContact CZ-CB 4.45Å; F167-L415 HydrophobicContact CZ-CD1 3.2Å; F167-L415 HydrophobicContact CZ-CD2 3.09Å; F167-L415 HydrophobicContact CZ-CG 3.7Å; F167-I443 HydrophobicContact CD2-CD1 3.66Å; F167-I443 HydrophobicContact CE2-CD1 4.14Å
168A54.5Low50.2Low0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-56.2-50.4173.700000110.9L164 S165 T170 I171 S172 T179 L233 I262L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.4Å; S165-A168 WeakPolarHBondContact O-CB 3.39Å; S165-A168 PolarHBondContact O-N 2.95Å; A168-T170 VanDerWaalsContact C-N 3.26Å; A168-T170 PolarHBondContact O-N 2.86Å; A168-I171 PolarHBondContact O-N 3.41Å; A168-S172 WeakPolarHBondContact O-CB 3.41Å; A168-S172 PolarHBondContact O-N 3.18Å; A168-S172 PolarHBondContact O-OG 3.32Å; A168-T179 HydrophobicContact CB-CG2 3.86Å; A168-L233 VanDerWaalsContact CA-CD2 3.45Å; A168-L233 HydrophobicContact CB-CD2 3.4Å; A168-L233 HydrophobicContact CB-CG 4.11Å; A168-L233 WeakPolarHBondContact O-CD2 3.41Å; A168-I262 VanDerWaalsContact CA-CD1 3.48Å; A168-I262 HydrophobicContact CB-CD1 3.64Å
169N50.8Low50.2Low55 Ų5529.1 Ų29.129%0.29415%0.153SC..Hα-helixtrans-58.3-38178.4-70.8-20.9000112.5S165 A166 F167 S172 G173S165-N169 VanDerWaalsContact O-CG 3.25Å; S165-N169 PolarHBondContact O-N 3.49Å; S165-N169 PolarHBondContact O-ND2 3.34Å; A166-N169 WeakPolarHBondContact O-CB 3.43Å; A166-N169 PolarHBondContact O-N 3.45Å; F167-N169 VanDerWaalsContact C-N 3.34Å; F167-N169 PolarHBondContact O-N 3.1Å; N169-S172 VanDerWaalsContact CA-OG 3.31Å; N169-S172 WeakPolarHBondContact CA-OG 3.25Å; N169-S172 PolarHBondContact O-OG 2.85Å; N169-G173 PolarHBondContact O-N 2.89Å; N169-G173 VanDerWaalsContact O-N 3.15Å
170T52.1Low50.3Low49 Ų4929.3 Ų29.330%0.30115%0.154SC..Hα-helixtrans-73-35.1178.242.80000113.7A166 F167 A168 I443A166-T170 PolarHBondContact O-N 2.96Å; A166-T170 PolarHBondContact O-OG1 3.04Å; F167-T170 WeakPolarHBondContact CA-OG1 3.34Å; F167-T170 PolarHBondContact O-N 3.44Å; F167-T170 PolarHBondContact O-OG1 2.69Å; A168-T170 VanDerWaalsContact C-N 3.26Å; A168-T170 PolarHBondContact O-N 2.86Å; T170-I443 VanDerWaalsContact CB-CD1 3.43Å; T170-I443 HydrophobicContact CG2-CD1 3.63Å; T170-I443 HydrophobicContact CG2-CG1 4.5Å; T170-I443 WeakPolarHBondContact OG1-CD1 3.21Å
171I53Low50.2Low41 Ų4128.5 Ų28.521%0.2115%0.15CC..Hα-helixtrans-75.7-43.1172.8-59.5164.2000111.2F167 A168 G173 I262 Y295F167-I171 HydrophobicContact CD1-CD1 3.88Å; F167-I171 HydrophobicContact CE1-CD1 3.02Å; F167-I171 HydrophobicContact CE1-CG1 3.81Å; F167-I171 HydrophobicContact CE2-CD1 4.04Å; F167-I171 HydrophobicContact CE2-CG1 3.88Å; F167-I171 HydrophobicContact CZ-CD1 3.04Å; F167-I171 HydrophobicContact CZ-CG1 3.35Å; F167-I171 PolarHBondContact O-N 3.36Å; A168-I171 PolarHBondContact O-N 3.41Å; I171-G173 PolarHBondContact O-N 2.89Å; I171-G173 VanDerWaalsContact O-N 3.13Å; I171-I262 HydrophobicContact CD1-CD1 3.85Å; I171-I262 HydrophobicContact CD1-CG1 4.16Å; I171-Y295 HydrophobicContact CD1-CD1 4.48Å; I171-Y295 HydrophobicContact CD1-CD2 3.7Å; I171-Y295 HydrophobicContact CD1-CE1 4.49Å; I171-Y295 HydrophobicContact CD1-CE2 3.7Å; I171-Y295 HydrophobicContact CD1-CG 4.09Å; I171-Y295 HydrophobicContact CG2-CE2 4.02Å
172S51.4Low50.3Low13 Ų1329.1 Ų29.19%0.09115%0.152CC..Hα-helixtrans-64.3-16.9-179.359.80000111.8A168 N169 L175A168-S172 WeakPolarHBondContact O-CB 3.41Å; A168-S172 PolarHBondContact O-N 3.18Å; A168-S172 PolarHBondContact O-OG 3.32Å; N169-S172 VanDerWaalsContact CA-OG 3.31Å; N169-S172 WeakPolarHBondContact CA-OG 3.25Å; N169-S172 PolarHBondContact O-OG 2.85Å; S172-L175 PolarHBondContact OG-O 2.97Å
173G49.7Very low50.5Low23 Ų2329.4 Ų29.424%0.23716%0.156CC..THydrogen-bonded Turntrans60.3-162.8-165.300000110.1N169 I171 L175N169-G173 PolarHBondContact O-N 2.89Å; N169-G173 VanDerWaalsContact O-N 3.15Å; I171-G173 PolarHBondContact O-N 2.89Å; I171-G173 VanDerWaalsContact O-N 3.13Å; G173-L175 PolarHBondContact O-N 3.17Å
174P46.3Very low50.5Low52 Ų5231.8 Ų31.834%0.33817%0.173SC..THydrogen-bonded Turntrans-7411.1-172.628.9-30.5000114.1R176 D545P174-R176 PolarHBondContact O-N 2.8Å; P174-D545 HydrophobicContact CG-CB 4.32Å; P174-D545 WeakPolarHBondContact CG-OD2 3.28Å
175L40.2Very low50Low41 Ų4136.2 Ų36.222%0.21520%0.196CC..  trans-57.395.6152.3-78.2168.4000106.9S172 G173 T177 K232S172-L175 PolarHBondContact OG-O 2.97Å; G173-L175 PolarHBondContact O-N 3.17Å; L175-T177 HydrophobicContact CB-CG2 3.78Å; L175-T177 HydrophobicContact CD2-CG2 4.27Å; L175-T177 HydrophobicContact CG-CG2 4.47Å; L175-T177 PolarHBondContact O-N 3.02Å; L175-T177 PolarHBondContact O-OG1 2.81Å; L175-K232 HydrophobicContact CD1-CD 3.89Å
176R43.4Very low49.7Very low192 Ų19240.1 Ų40.173%0.72521%0.214SC*.  trans-64.353.6163.6-71.1-174.1177.6-167.20.1109.6P174 E178P174-R176 PolarHBondContact O-N 2.8Å; R176-E178 VanDerWaalsContact C-N 3.29Å; R176-E178 PolarHBondContact O-N 3.43Å
177T43Very low49.1Very low7 Ų743.6 Ų43.64%0.04323%0.234CC..  trans-74.795.3173.551.90000105.1L175 T179 T231 K232L175-T177 HydrophobicContact CB-CG2 3.78Å; L175-T177 HydrophobicContact CD2-CG2 4.27Å; L175-T177 HydrophobicContact CG-CG2 4.47Å; L175-T177 PolarHBondContact O-N 3.02Å; L175-T177 PolarHBondContact O-OG1 2.81Å; T177-T179 PolarHBondContact O-N 3.23Å; T177-T231 HydrophobicContact CG2-CG2 4.49Å; T177-K232 HydrophobicContact CG2-CB 4.27Å; T177-K232 HydrophobicContact CG2-CG 4.43Å
178E45.7Very low48.3Very low79 Ų7944.8 Ų44.837%0.36925%0.247SC..  trans-33.9104172.6-63.3163.9150.700109.9R176 I180 F205 V229 T231R176-E178 VanDerWaalsContact C-N 3.29Å; R176-E178 PolarHBondContact O-N 3.43Å; E178-I180 PolarHBondContact O-N 3.47Å; E178-F205 HydrophobicContact CB-CD2 4.07Å; E178-F205 HydrophobicContact CB-CE2 4.31Å; E178-F205 HydrophobicContact CG-CE2 4.39Å; E178-F205 WeakPolarHBondContact OE2-CE2 3.46Å; E178-V229 HydrophobicContact CB-CG1 4.2Å; E178-T231 HydrophobicContact CB-CG2 3.94Å; E178-T231 WeakPolarHBondContact O-CG2 3.3Å
179T50Low47.6Very low2 Ų251 Ų511%0.01229%0.288CS..  trans-68.2113.5-173.6-30.10000108.1S165 A168 T177 I181 L235S165-T179 PolarHBondContact OG-OG1 2.94Å; A168-T179 HydrophobicContact CB-CG2 3.86Å; T177-T179 PolarHBondContact O-N 3.23Å; T179-I181 PolarHBondContact O-N 2.92Å; T179-L235 HydrophobicContact CG2-CB 3.56Å
180I51.4Low47.1Very low5 Ų555.5 Ų55.53%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-74.3118.9171.5-61.3153.6000106.4E178 F205 L207 I225 V229 W234 L235E178-I180 PolarHBondContact O-N 3.47Å; I180-F205 WeakPolarHBondContact CA-O 3.48Å; I180-L207 HydrophobicContact CG2-CB 3.82Å; I180-I225 HydrophobicContact CD1-CG2 3.3Å; I180-I225 HydrophobicContact CG1-CG2 4.24Å; I180-V229 HydrophobicContact CD1-CB 4.07Å; I180-V229 HydrophobicContact CD1-CG1 3.63Å; I180-V229 HydrophobicContact CG1-CB 4.46Å; I180-V229 HydrophobicContact CG1-CG1 3.72Å; I180-W234 HydrophobicContact CD1-CZ2 4.01Å; I180-L235 PolarHBondContact O-N 3Å; I180-L235 VanDerWaalsContact O-N 3.15Å
181I51.7Low46.9Very low0 Ų056 Ų560%031%0.307CS..EExtended strand (participates in β ladder)trans-102.1112.2176.1-50.1-164.5000107.7A161 T179 F205 Y206 L207 L235 L237A161-I181 HydrophobicContact CB-CD1 4.26Å; T179-I181 PolarHBondContact O-N 2.92Å; I181-F205 PolarHBondContact N-O 3.03Å; I181-F205 VanDerWaalsContact N-O 3.13Å; I181-Y206 HydrophobicContact CB-CD1 4.03Å; I181-Y206 HydrophobicContact CB-CE1 3.9Å; I181-Y206 HydrophobicContact CB-CE2 4.49Å; I181-Y206 HydrophobicContact CB-CG 4.39Å; I181-Y206 HydrophobicContact CD1-CE2 4.07Å; I181-Y206 HydrophobicContact CG2-CD1 4.08Å; I181-Y206 HydrophobicContact CG2-CE1 3.58Å; I181-L207 PolarHBondContact O-N 3.44Å; I181-L235 HydrophobicContact CB-CD2 4.38Å; I181-L235 HydrophobicContact CD1-CD2 3.8Å; I181-L235 HydrophobicContact CG1-CD2 3.77Å; I181-L235 HydrophobicContact CG2-CD2 4.09Å; I181-L237 HydrophobicContact CG2-CD1 3.48Å; I181-L237 VanDerWaalsContact CG2-CD1 3.48Å; I181-L237 HydrophobicContact CG2-CG 4.11Å
182R55.2Low46.4Very low16 Ų1656.4 Ų56.46%0.0631%0.312CS..EExtended strand (participates in β ladder)trans-89.1116.8169.5-176.7-177.5173.9174.73.8109.8L207 L235 L236 L237 V238 T242R182-L207 WeakPolarHBondContact CA-O 3.45Å; R182-L235 PolarHBondContact N-O 3.07Å; R182-L236 HydrophobicContact CB-CD2 4.11Å; R182-L237 CarbonylContact O-C 3.55Å; R182-L237 WeakPolarHBondContact O-CA 3.42Å; R182-L237 VanDerWaalsContact O-CB 3.29Å; R182-L237 WeakPolarHBondContact O-CB 3.27Å; R182-L237 PolarHBondContact O-N 3.38Å; R182-L237 VanDerWaalsContact O-O 3.11Å; R182-V238 HydrophobicContact CB-CG2 4.16Å; R182-V238 HydrophobicContact CG-CG2 3.92Å; R182-T242 VanDerWaalsContact NH1-CG2 3.29Å; R182-T242 VanDerWaalsContact NH2-CG2 3.29Å
183G53.6Low46.1Very low16 Ų1660.8 Ų60.817%0.16533%0.329CS..EExtended strand (participates in β ladder)trans-105.1151.2167.800000111.6
184S52.2Low45.9Very low54 Ų5461.2 Ų61.238%0.37833%0.329SS..SBendtrans-81.6-11.9175.164.70000114.5E186S184-E186 PolarHBondContact O-N 3.25Å
185D45.4Very low45.7Very low96 Ų9662.8 Ų62.851%0.51334%0.335SS..  trans-100.962.6-160.2-66.7-4.2000112.1K326D185-K326 IonicContact OD1-NZ 2.92Å; D185-K326 PolarHBondContact OD1-NZ 3.2Å; D185-K326 IonicContact OD2-NZ 3.87Å; D185-K326 PolarHBondContact OD2-NZ 3.31Å
186E45.2Very low45.8Very low81 Ų8165 Ų6538%0.37934%0.341SS..  trans-154.3109.3154.4-71-170.8169.100109.9S184 G188 T192 T208S184-E186 PolarHBondContact O-N 3.25Å; E186-G188 PolarHBondContact O-N 3.04Å; E186-T192 PolarHBondContact OE2-OG1 3.23Å; E186-T208 HydrophobicContact CB-CG2 3.91Å; E186-T208 HydrophobicContact CG-CG2 3.82Å; E186-T208 PolarHBondContact OE2-OG1 3.4Å; E186-T208 VanDerWaalsContact OE2-OG1 3.08Å
187T39.7Very low45.6Very low90 Ų9066 Ų6655%0.55235%0.345SS*.  trans-76.950.7171.224.10000111.6E70E70-T187 PolarHBondContact OE1-OG1 3.27Å
188G40.7Very low45.5Very low28 Ų2869.5 Ų69.529%0.28936%0.363SS..  trans-87.2139.3164.800000110.5E186 Q190E186-G188 PolarHBondContact O-N 3.04Å; G188-Q190 PolarHBondContact O-N 2.68Å; G188-Q190 VanDerWaalsContact O-N 3.15Å
189P39.2Very low45.2Very low131 Ų13167.9 Ų67.985%0.85135%0.354SS*.SBendtrans-69.8-2.9171.428.7-33.5000113
190Q40.2Very low44.7Very low150 Ų15073.7 Ų73.770%0.70139%0.391SS*.SBendtrans-117.6140.7-175.9-65-166.3-16.100111.3G188 T192G188-Q190 PolarHBondContact O-N 2.68Å; G188-Q190 VanDerWaalsContact O-N 3.15Å; Q190-T192 PolarHBondContact O-N 2.95Å
191I46.8Very low44.2Very low59 Ų5977.6 Ų77.630%0.30342%0.419SS..  trans-68.4114.2168.8-55.3170.1000106.8F193 L207 L209 M213 T221I191-F193 HydrophobicContact CG2-CE2 4.36Å; I191-L207 HydrophobicContact CG2-CD1 4.19Å; I191-L207 HydrophobicContact CG2-CG 4.29Å; I191-L209 HydrophobicContact CD1-CD2 4.13Å; I191-L209 HydrophobicContact CG1-CD2 3.91Å; I191-L209 HydrophobicContact CG2-CD2 4.27Å; I191-M213 HydrophobicContact CD1-CE 4.46Å; I191-T221 HydrophobicContact CD1-CG2 3.71Å
192T44.3Very low43.5Very low50 Ų5079.2 Ų79.231%0.30743%0.429SS..EExtended strand (participates in β ladder)trans-97.2128.9173.872.70000109.9E186 Q190 T208E186-T192 PolarHBondContact OE2-OG1 3.23Å; Q190-T192 PolarHBondContact O-N 2.95Å; T192-T208 PolarHBondContact OG1-OG1 3.08Å
193F43.7Very low42.6Very low104 Ų10488.9 Ų88.946%0.45647%0.465SS..EExtended strand (participates in β ladder)trans-92.1106.8162.3-72.6-89.5000106.8I191 F205 L207 I225I191-F193 HydrophobicContact CG2-CE2 4.36Å; F193-F205 AromaticContact CD1-CD1 3.97Å; F193-F205 HydrophobicContact CD1-CD1 3.97Å; F193-L207 HydrophobicContact CD1-CD1 4.24Å; F193-L207 HydrophobicContact CE1-CD1 3.7Å; F193-L207 HydrophobicContact CZ-CD1 3.97Å; F193-I225 HydrophobicContact CE1-CG1 4.44Å; F193-I225 HydrophobicContact CZ-CG1 4.15Å
194S46.7Very low42.6Very low33 Ų3388.4 Ų88.423%0.23146%0.459CS..EExtended strand (participates in β ladder)trans-111.2125.1171.757.60000110.1Y196 Y206S194-Y196 PolarHBondContact O-N 2.82Å; S194-Y206 PolarHBondContact O-N 3.12Å; S194-Y206 VanDerWaalsContact O-N 3.11Å; S194-Y206 WeakPolarHBondContact OG-CB 3.22Å
195D42.4Very low42.5Very low85 Ų8588.5 Ų88.546%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-80.698.4162.1-174.713.4000106.5R197D195-R197 VanDerWaalsContact C-N 3.33Å; D195-R197 PolarHBondContact O-N 3.34Å
196Y41.3Very low42.7Very low87 Ų8785.4 Ų85.434%0.34143%0.434SS..  trans-71.592.6175.6-107.6-86.1000108.6S194 D198 Y199 Y206S194-Y196 PolarHBondContact O-N 2.82Å; Y196-D198 PolarHBondContact O-N 3.24Å; Y196-Y199 HydrophobicContact CD1-CE2 4.47Å; Y196-Y206 AromaticContact CD2-CD2 3.61Å; Y196-Y206 HydrophobicContact CD2-CD2 3.61Å; Y196-Y206 HydrophobicContact CD2-CE2 4.06Å; Y196-Y206 AromaticContact CD2-CG 3.91Å; Y196-Y206 HydrophobicContact CD2-CG 3.91Å; Y196-Y206 HydrophobicContact CE2-CG 4.48Å; Y196-Y206 HydrophobicContact CG-CD2 4.06Å; Y196-Y206 HydrophobicContact CG-CE2 4.17Å
197R39.4Very low43.1Very low214 Ų21481.8 Ų81.881%0.80842%0.417SS*.THydrogen-bonded Turntrans-64.1-14.2176.4-61.9-176.2-139.1179.26.8113.2D195 Y199D195-R197 VanDerWaalsContact C-N 3.33Å; D195-R197 PolarHBondContact O-N 3.34Å; R197-Y199 VanDerWaalsContact C-N 3.34Å; R197-Y199 PolarHBondContact O-N 3.39Å
198D40.7Very low43.8Very low80 Ų8078 Ų7843%0.42839%0.394SS..THydrogen-bonded Turntrans-85.72-170.3-55.3-51000114.8Y196 P200Y196-D198 PolarHBondContact O-N 3.24Å; D198-P200 WeakPolarHBondContact O-CD 3.35Å
199Y39.6Very low44.6Very low45 Ų4577.1 Ų77.118%0.17638%0.382CS..SBendtrans-102.3103.6166.1-70.8-79.7000109.3G158 S162 Y196 R197 S201 V202 Y206G158-Y199 VanDerWaalsContact CA-OH 3.27Å; G158-Y199 WeakPolarHBondContact CA-OH 3.24Å; S162-Y199 WeakPolarHBondContact OG-CD1 3.35Å; S162-Y199 WeakPolarHBondContact OG-CE1 3.22Å; Y196-Y199 HydrophobicContact CD1-CE2 4.47Å; R197-Y199 VanDerWaalsContact C-N 3.34Å; R197-Y199 PolarHBondContact O-N 3.39Å; Y199-S201 PolarHBondContact O-N 3.49Å; Y199-V202 PolarHBondContact O-N 2.64Å; Y199-Y206 HydrophobicContact CE2-CE2 4.48Å
200P40.2Very low45.5Very low123 Ų12372.5 Ų72.580%0.79935%0.352SS*.THydrogen-bonded Turntrans-64.81.4-164.421.3-32.4000116.3D198D198-P200 WeakPolarHBondContact O-CD 3.35Å
201S40Very low46.3Very low87 Ų8769.8 Ų69.861%0.60835%0.348SS*.THydrogen-bonded Turntrans-122.7-4-174.543.30000116.8Y199Y199-S201 PolarHBondContact O-N 3.49Å
202V36.6Very low46.8Very low34 Ų3475.5 Ų75.521%0.20637%0.373CS..  trans-153.1124.8178.5-166.20000112.5Y199 R204Y199-V202 PolarHBondContact O-N 2.64Å; V202-R204 HydrophobicContact CB-CG 3.79Å; V202-R204 VanDerWaalsContact CB-NE 3.3Å; V202-R204 HydrophobicContact CG1-CG 3.49Å; V202-R204 VanDerWaalsContact CG1-CG 3.49Å; V202-R204 PolarHBondContact O-N 2.79Å
203R37Very low47.7Very low219 Ų21975.1 Ų75.183%0.82637%0.368SS*.  trans-64.5117.2162.6-67-177.9-176.4-177.9-0.6108.3
204R52.5Low48.9Very low7 Ų775.3 Ų75.33%0.02637%0.374CS..  trans-137.4142.3-172.4-65.4178.6-174.9154.58.4111.4A161 S165 V202A161-R204 PolarHBondContact O-NH1 2.79Å; S165-R204 VanDerWaalsContact CB-NE 3.31Å; S165-R204 PolarHBondContact OG-NE 3.13Å; S165-R204 PolarHBondContact OG-NH2 3.43Å; V202-R204 HydrophobicContact CB-CG 3.79Å; V202-R204 VanDerWaalsContact CB-NE 3.3Å; V202-R204 HydrophobicContact CG1-CG 3.49Å; V202-R204 VanDerWaalsContact CG1-CG 3.49Å; V202-R204 PolarHBondContact O-N 2.79Å
205F50.7Low49.8Very low56 Ų5678.1 Ų78.125%0.24638%0.384CS..EExtended strand (participates in β ladder)trans-85.1111.3167.2-65.5-73.7000109.5E178 I180 I181 F193 V229E178-F205 HydrophobicContact CB-CD2 4.07Å; E178-F205 HydrophobicContact CB-CE2 4.31Å; E178-F205 HydrophobicContact CG-CE2 4.39Å; E178-F205 WeakPolarHBondContact OE2-CE2 3.46Å; I180-F205 WeakPolarHBondContact CA-O 3.48Å; I181-F205 PolarHBondContact N-O 3.03Å; I181-F205 VanDerWaalsContact N-O 3.13Å; F193-F205 AromaticContact CD1-CD1 3.97Å; F193-F205 HydrophobicContact CD1-CD1 3.97Å; F205-V229 HydrophobicContact CD2-CG1 4.28Å; F205-V229 HydrophobicContact CD2-CG2 3.73Å; F205-V229 HydrophobicContact CE2-CG2 3.85Å; F205-V229 HydrophobicContact CG-CG2 4.32Å
206Y50.4Low51.2Low30 Ų3078.2 Ų78.212%0.11839%0.391CS..EExtended strand (participates in β ladder)trans-81.6134.1161.3-94.1-94.8000109A161 I181 S194 Y196 Y199A161-Y206 VanDerWaalsContact CB-OH 3.31Å; A161-Y206 WeakPolarHBondContact CB-OH 3.34Å; I181-Y206 HydrophobicContact CB-CD1 4.03Å; I181-Y206 HydrophobicContact CB-CE1 3.9Å; I181-Y206 HydrophobicContact CB-CE2 4.49Å; I181-Y206 HydrophobicContact CB-CG 4.39Å; I181-Y206 HydrophobicContact CD1-CE2 4.07Å; I181-Y206 HydrophobicContact CG2-CD1 4.08Å; I181-Y206 HydrophobicContact CG2-CE1 3.58Å; S194-Y206 PolarHBondContact O-N 3.12Å; S194-Y206 VanDerWaalsContact O-N 3.11Å; S194-Y206 WeakPolarHBondContact OG-CB 3.22Å; Y196-Y206 AromaticContact CD2-CD2 3.61Å; Y196-Y206 HydrophobicContact CD2-CD2 3.61Å; Y196-Y206 HydrophobicContact CD2-CE2 4.06Å; Y196-Y206 AromaticContact CD2-CG 3.91Å; Y196-Y206 HydrophobicContact CD2-CG 3.91Å; Y196-Y206 HydrophobicContact CE2-CG 4.48Å; Y196-Y206 HydrophobicContact CG-CD2 4.06Å; Y196-Y206 HydrophobicContact CG-CE2 4.17Å; Y199-Y206 HydrophobicContact CE2-CE2 4.48Å
207L53.9Low52.5Low5 Ų578.4 Ų78.43%0.02640%0.395CS..EExtended strand (participates in β ladder)trans-121.3104.6179.7-158.4102.3000109.1I180 I181 R182 I191 F193 L209 I225I180-L207 HydrophobicContact CG2-CB 3.82Å; I181-L207 PolarHBondContact O-N 3.44Å; R182-L207 WeakPolarHBondContact CA-O 3.45Å; I191-L207 HydrophobicContact CG2-CD1 4.19Å; I191-L207 HydrophobicContact CG2-CG 4.29Å; F193-L207 HydrophobicContact CD1-CD1 4.24Å; F193-L207 HydrophobicContact CE1-CD1 3.7Å; F193-L207 HydrophobicContact CZ-CD1 3.97Å; L207-L209 HydrophobicContact CD2-CD1 3.76Å; L207-L209 HydrophobicContact CD2-CD2 3.8Å; L207-L209 HydrophobicContact CD2-CG 3.64Å; L207-L209 HydrophobicContact CG-CD2 4.48Å; L207-L209 HydrophobicContact CG-CG 4.46Å; L207-I225 HydrophobicContact CD1-CD1 3.39Å; L207-I225 HydrophobicContact CD1-CG1 3.81Å; L207-I225 HydrophobicContact CD2-CD1 3.36Å; L207-I225 HydrophobicContact CG-CD1 4Å
208T53.6Low53.8Low12 Ų1268.7 Ų68.77%0.07436%0.359CS..EExtended strand (participates in β ladder)trans-88.8122.2171.449.90000109E186 T192E186-T208 HydrophobicContact CB-CG2 3.91Å; E186-T208 HydrophobicContact CG-CG2 3.82Å; E186-T208 PolarHBondContact OE2-OG1 3.4Å; E186-T208 VanDerWaalsContact OE2-OG1 3.08Å; T192-T208 PolarHBondContact OG1-OG1 3.08Å
209L58.2Low55.1Low9 Ų966.9 Ų66.95%0.04735%0.351CS..  trans-117.7138.6177.3-67.9178.3000109.3I191 L207 M213 L218 T221I191-L209 HydrophobicContact CD1-CD2 4.13Å; I191-L209 HydrophobicContact CG1-CD2 3.91Å; I191-L209 HydrophobicContact CG2-CD2 4.27Å; L207-L209 HydrophobicContact CD2-CD1 3.76Å; L207-L209 HydrophobicContact CD2-CD2 3.8Å; L207-L209 HydrophobicContact CD2-CG 3.64Å; L207-L209 HydrophobicContact CG-CD2 4.48Å; L207-L209 HydrophobicContact CG-CG 4.46Å; L209-M213 HydrophobicContact CD2-CE 3.97Å; L209-M213 HydrophobicContact CD2-SD 4.46Å; L209-L218 HydrophobicContact CD1-CD1 3.97Å; L209-T221 HydrophobicContact CD2-CG2 3.98Å
210P58.2Low56.5Low33 Ų3370.6 Ų70.621%0.21437%0.37CS..  trans-58.4147.7174.922.4-31.7000111.3Q212 M213P210-Q212 PolarHBondContact O-N 3.03Å; P210-M213 HydrophobicContact CG-CE 3.82Å
211P55.9Low57.7Low93 Ų9365.3 Ų65.360%0.60434%0.335SS*.SBendtrans-65.5-25.7-173.423.5-33.3000113.5
212Q58.3Low59Low180 Ų18061.6 Ų61.684%0.84131%0.308SS*.SBendtrans-11888.7-177.6-65.6-93.4-26.500108.8P210P210-Q212 PolarHBondContact O-N 3.03Å
213M62.4Low60.4Low42 Ų4261.1 Ų61.121%0.20731%0.311CS..  trans-116134176.4-170174.1-88.800109.3I191 L209 P210 Q217 L218I191-M213 HydrophobicContact CD1-CE 4.46Å; L209-M213 HydrophobicContact CD2-CE 3.97Å; L209-M213 HydrophobicContact CD2-SD 4.46Å; P210-M213 HydrophobicContact CG-CE 3.82Å; M213-Q217 HydrophobicContact CG-CB 3.51Å; M213-Q217 HydrophobicContact SD-CB 4.06Å; M213-L218 HydrophobicContact CG-CB 4.35Å; M213-L218 HydrophobicContact SD-CB 4.14Å; M213-L218 HydrophobicContact SD-CD1 4.23Å
214N69Low61.7Low107 Ų10755.5 Ų55.557%0.57229%0.294SS*.  trans-65.9147176.5-70.8-23.1000110.2S216 Q217 L218N214-S216 PolarHBondContact O-N 3.49Å; N214-S216 VanDerWaalsContact O-N 3.1Å; N214-Q217 HydrophobicContact CB-CG 4.39Å; N214-Q217 WeakPolarHBondContact O-CB 3.45Å; N214-Q217 PolarHBondContact O-N 3.28Å; N214-L218 PolarHBondContact O-N 3.09Å
215E66Low62.1Low93 Ų9355.2 Ų55.244%0.43529%0.293SS..Hα-helixtrans-53-35.6-178.8-167.7174.6-171.700112.6T219 K252E215-T219 WeakPolarHBondContact O-CB 3.36Å; E215-T219 PolarHBondContact O-N 3.01Å; E215-T219 PolarHBondContact O-OG1 3.37Å; E215-K252 WeakPolarHBondContact OE1-CD 3.41Å; E215-K252 WeakPolarHBondContact OE1-CE 3.35Å; E215-K252 IonicContact OE1-NZ 2.99Å; E215-K252 PolarHBondContact OE1-NZ 3.12Å; E215-K252 IonicContact OE2-NZ 2.93Å
216S70.6Confident62.7Low86 Ų8656.5 Ų56.560%0.60130%0.298SS*.Hα-helixtrans-67.9-43.6175.6560000113.5N214 T219 Q220N214-S216 PolarHBondContact O-N 3.49Å; N214-S216 VanDerWaalsContact O-N 3.1Å; S216-T219 PolarHBondContact O-N 3.07Å; S216-Q220 PolarHBondContact O-N 3.1Å
217Q68.8Low63.2Low92 Ų9259.6 Ų59.643%0.4332%0.324SS..Hα-helixtrans-64.6-44176.6-73.1173.6-29.600110.4M213 N214 T219 Q220 T221M213-Q217 HydrophobicContact CG-CB 3.51Å; M213-Q217 HydrophobicContact SD-CB 4.06Å; N214-Q217 HydrophobicContact CB-CG 4.39Å; N214-Q217 WeakPolarHBondContact O-CB 3.45Å; N214-Q217 PolarHBondContact O-N 3.28Å; Q217-T219 VanDerWaalsContact C-N 3.31Å; Q217-T219 PolarHBondContact O-N 3.1Å; Q217-Q220 PolarHBondContact O-N 3.23Å; Q217-T221 WeakPolarHBondContact O-CB 3.38Å; Q217-T221 PolarHBondContact O-N 3.42Å; Q217-T221 PolarHBondContact O-OG1 3.02Å; Q217-T221 VanDerWaalsContact O-OG1 3.06Å
218L68.1Low63.2Low9 Ų963.6 Ų63.65%0.04735%0.349CS..Hα-helixtrans-60.2-43.4177.8-175.961.7000111.2L209 M213 N214 T221 I222 I246L209-L218 HydrophobicContact CD1-CD1 3.97Å; M213-L218 HydrophobicContact CG-CB 4.35Å; M213-L218 HydrophobicContact SD-CB 4.14Å; M213-L218 HydrophobicContact SD-CD1 4.23Å; N214-L218 PolarHBondContact O-N 3.09Å; L218-T221 PolarHBondContact O-N 2.99Å; L218-I222 HydrophobicContact CD1-CD1 4.09Å; L218-I222 HydrophobicContact CD1-CG1 4.37Å; L218-I222 HydrophobicContact CG-CD1 3.87Å; L218-I222 WeakPolarHBondContact O-CB 3.15Å; L218-I222 WeakPolarHBondContact O-CG1 3.28Å; L218-I222 PolarHBondContact O-N 3.45Å; L218-I246 HydrophobicContact CD2-CG1 4.28Å
219T67.1Low63.4Low43 Ų4363.1 Ų63.126%0.26435%0.346SS..Hα-helixtrans-66-40.6177.9-51.60000112.1E215 S216 Q217 G223E215-T219 WeakPolarHBondContact O-CB 3.36Å; E215-T219 PolarHBondContact O-N 3.01Å; E215-T219 PolarHBondContact O-OG1 3.37Å; S216-T219 PolarHBondContact O-N 3.07Å; Q217-T219 VanDerWaalsContact C-N 3.31Å; Q217-T219 PolarHBondContact O-N 3.1Å; T219-G223 PolarHBondContact O-N 3.09Å
220Q69.4Low63.1Low122 Ų12271 Ų7157%0.5738%0.384SS*.Hα-helixtrans-62.4-48175.5-177.1-178.1-16.300111.1S216 Q217 G223 E224S216-Q220 PolarHBondContact O-N 3.1Å; Q217-Q220 PolarHBondContact O-N 3.23Å; Q220-G223 CarbonylContact O-C 3.59Å; Q220-G223 WeakPolarHBondContact O-CA 3.02Å; Q220-G223 PolarHBondContact O-N 3.26Å; Q220-G223 VanDerWaalsContact O-N 3.12Å; Q220-E224 PolarHBondContact NE2-OE1 3.39Å; Q220-E224 PolarHBondContact O-N 2.97Å
221T64.8Low63.2Low12 Ų1269.9 Ų69.97%0.07438%0.377CS..Hα-helixtrans-63.3-42.8178.7-61.70000112I191 L209 Q217 L218 G223 E224 I225I191-T221 HydrophobicContact CD1-CG2 3.71Å; L209-T221 HydrophobicContact CD2-CG2 3.98Å; Q217-T221 WeakPolarHBondContact O-CB 3.38Å; Q217-T221 PolarHBondContact O-N 3.42Å; Q217-T221 PolarHBondContact O-OG1 3.02Å; Q217-T221 VanDerWaalsContact O-OG1 3.06Å; L218-T221 PolarHBondContact O-N 2.99Å; T221-G223 VanDerWaalsContact C-N 3.26Å; T221-G223 PolarHBondContact O-N 2.95Å; T221-E224 PolarHBondContact O-N 3.2Å; T221-I225 HydrophobicContact CG2-CD1 3.62Å; T221-I225 HydrophobicContact CG2-CG1 4.33Å; T221-I225 WeakPolarHBondContact O-CB 3.27Å; T221-I225 WeakPolarHBondContact O-CD1 3.38Å; T221-I225 WeakPolarHBondContact O-CG1 3.18Å; T221-I225 PolarHBondContact O-N 3.14Å
222I67.4Low63.3Low9 Ų967.9 Ų67.95%0.04636%0.359CS..Hα-helixtrans-59.6-39.5173.7-71.3170.2000110.4L218 K226 W234 V250L218-I222 HydrophobicContact CD1-CD1 4.09Å; L218-I222 HydrophobicContact CD1-CG1 4.37Å; L218-I222 HydrophobicContact CG-CD1 3.87Å; L218-I222 WeakPolarHBondContact O-CB 3.15Å; L218-I222 WeakPolarHBondContact O-CG1 3.28Å; L218-I222 PolarHBondContact O-N 3.45Å; I222-K226 VanDerWaalsContact O-CB 3.24Å; I222-K226 WeakPolarHBondContact O-CB 3.28Å; I222-K226 PolarHBondContact O-N 2.99Å; I222-W234 HydrophobicContact CB-CH2 4.14Å; I222-W234 HydrophobicContact CG1-CH2 3.9Å; I222-W234 HydrophobicContact CG1-CZ3 4.01Å; I222-W234 HydrophobicContact CG2-CH2 3.71Å; I222-W234 HydrophobicContact CG2-CZ2 4.31Å; I222-W234 HydrophobicContact CG2-CZ3 4.39Å; I222-V250 HydrophobicContact CD1-CG2 4Å
223G66.4Low63.5Low25 Ų2559.3 Ų59.326%0.25832%0.319SS..Hα-helixtrans-65.9-42.2174.200000114.2T219 Q220 T221 K226 S227T219-G223 PolarHBondContact O-N 3.09Å; Q220-G223 CarbonylContact O-C 3.59Å; Q220-G223 WeakPolarHBondContact O-CA 3.02Å; Q220-G223 PolarHBondContact O-N 3.26Å; Q220-G223 VanDerWaalsContact O-N 3.12Å; T221-G223 VanDerWaalsContact C-N 3.26Å; T221-G223 PolarHBondContact O-N 2.95Å; G223-K226 WeakPolarHBondContact O-CB 3.35Å; G223-K226 PolarHBondContact O-N 2.96Å; G223-S227 PolarHBondContact O-N 3.42Å; G223-S227 VanDerWaalsContact O-N 3.11Å
224E64.8Low63.7Low100 Ų10058.3 Ų58.347%0.46731%0.313SS..Hα-helixtrans-64.3-46.7175.5-74.7174.2-168.300110.9Q220 T221 K226 S227 V228Q220-E224 PolarHBondContact NE2-OE1 3.39Å; Q220-E224 PolarHBondContact O-N 2.97Å; T221-E224 PolarHBondContact O-N 3.2Å; E224-K226 VanDerWaalsContact C-N 3.31Å; E224-K226 PolarHBondContact O-N 3.25Å; E224-S227 WeakPolarHBondContact O-CB 3.34Å; E224-S227 PolarHBondContact O-N 2.06Å; E224-S227 PolarHBondContact O-OG 3.32Å; E224-V228 WeakPolarHBondContact O-CG2 3.39Å; E224-V228 PolarHBondContact O-N 2.91Å
225I61.1Low63.5Low2 Ų253.2 Ų53.21%0.0129%0.285CS..Hα-helixtrans-61.7-41.6176.3-65.6160000110.7I180 F193 L207 T221 S227 V228 V229 W234I180-I225 HydrophobicContact CD1-CG2 3.3Å; I180-I225 HydrophobicContact CG1-CG2 4.24Å; F193-I225 HydrophobicContact CE1-CG1 4.44Å; F193-I225 HydrophobicContact CZ-CG1 4.15Å; L207-I225 HydrophobicContact CD1-CD1 3.39Å; L207-I225 HydrophobicContact CD1-CG1 3.81Å; L207-I225 HydrophobicContact CD2-CD1 3.36Å; L207-I225 HydrophobicContact CG-CD1 4Å; T221-I225 HydrophobicContact CG2-CD1 3.62Å; T221-I225 HydrophobicContact CG2-CG1 4.33Å; T221-I225 WeakPolarHBondContact O-CB 3.27Å; T221-I225 WeakPolarHBondContact O-CD1 3.38Å; T221-I225 WeakPolarHBondContact O-CG1 3.18Å; T221-I225 PolarHBondContact O-N 3.14Å; I225-S227 PolarHBondContact O-N 2.84Å; I225-V228 PolarHBondContact O-N 2.8Å; I225-V229 HydrophobicContact CG2-CB 4.22Å; I225-V229 HydrophobicContact CG2-CG2 4.27Å; I225-V229 WeakPolarHBondContact O-CB 3.25Å; I225-V229 PolarHBondContact O-N 2.98Å; I225-W234 HydrophobicContact CG2-CH2 4.46Å; I225-W234 HydrophobicContact CG2-CZ2 4.35Å
226K61.5Low63.6Low83 Ų8349 Ų4936%0.36127%0.266SS..Hα-helixtrans-56.3-36.6173.7177.5-177.9-179.9175.10112.3I222 G223 E224 V228 D257I222-K226 VanDerWaalsContact O-CB 3.24Å; I222-K226 WeakPolarHBondContact O-CB 3.28Å; I222-K226 PolarHBondContact O-N 2.99Å; G223-K226 WeakPolarHBondContact O-CB 3.35Å; G223-K226 PolarHBondContact O-N 2.96Å; E224-K226 VanDerWaalsContact C-N 3.31Å; E224-K226 PolarHBondContact O-N 3.25Å; K226-V228 VanDerWaalsContact C-N 3.31Å; K226-D257 WeakPolarHBondContact CE-OD2 3.24Å; K226-D257 IonicContact NZ-OD2 3.96Å; K226-D257 PolarHBondContact NZ-OD2 3.36Å
227S61.1Low63.3Low94 Ų9446.5 Ų46.566%0.65725%0.246SC*.Hα-helixtrans-70.6-29.4178.278.60000112.9G223 E224 I225G223-S227 PolarHBondContact O-N 3.42Å; G223-S227 VanDerWaalsContact O-N 3.11Å; E224-S227 WeakPolarHBondContact O-CB 3.34Å; E224-S227 PolarHBondContact O-N 2.06Å; E224-S227 PolarHBondContact O-OG 3.32Å; I225-S227 PolarHBondContact O-N 2.84Å
228V55.1Low63.2Low89 Ų8942.8 Ų42.854%0.53923%0.229SC..Hα-helixtrans-90.2-36.4-178.1179.70000111.6E224 I225 K226E224-V228 WeakPolarHBondContact O-CG2 3.39Å; E224-V228 PolarHBondContact O-N 2.91Å; I225-V228 PolarHBondContact O-N 2.8Å; K226-V228 VanDerWaalsContact C-N 3.31Å
229V56.8Low63.1Low3 Ų346 Ų462%0.01825%0.247CC..  trans-126.3101.5-164.2-176.70000109.1E178 I180 F205 I225 T231E178-V229 HydrophobicContact CB-CG1 4.2Å; I180-V229 HydrophobicContact CD1-CB 4.07Å; I180-V229 HydrophobicContact CD1-CG1 3.63Å; I180-V229 HydrophobicContact CG1-CB 4.46Å; I180-V229 HydrophobicContact CG1-CG1 3.72Å; F205-V229 HydrophobicContact CD2-CG1 4.28Å; F205-V229 HydrophobicContact CD2-CG2 3.73Å; F205-V229 HydrophobicContact CE2-CG2 3.85Å; F205-V229 HydrophobicContact CG-CG2 4.32Å; I225-V229 HydrophobicContact CG2-CB 4.22Å; I225-V229 HydrophobicContact CG2-CG2 4.27Å; I225-V229 WeakPolarHBondContact O-CB 3.25Å; I225-V229 PolarHBondContact O-N 2.98Å; V229-T231 HydrophobicContact CB-CG2 4.38Å; V229-T231 HydrophobicContact CG1-CG2 3.15Å; V229-T231 PolarHBondContact O-N 2.96Å
230M53.1Low63.1Low174 Ų17444.7 Ų44.786%0.85724%0.239SC*.  trans-7956-175.1-70.4-165.8175.100113.1
231T58.5Low63.1Low10 Ų1042.2 Ų42.26%0.06123%0.234CC..  trans-106.8126.6-164.966.90000112.4T177 E178 V229 L233T177-T231 HydrophobicContact CG2-CG2 4.49Å; E178-T231 HydrophobicContact CB-CG2 3.94Å; E178-T231 WeakPolarHBondContact O-CG2 3.3Å; V229-T231 HydrophobicContact CB-CG2 4.38Å; V229-T231 HydrophobicContact CG1-CG2 3.15Å; V229-T231 PolarHBondContact O-N 2.96Å; T231-L233 VanDerWaalsContact C-N 3.27Å
232K59Low63.3Low50 Ų5042.4 Ų42.422%0.21724%0.235CC..SBendtrans-84.2-3.9177.7-64.9-164.7173.3-164.10113.1L175 T177 Q259 N260L175-K232 HydrophobicContact CD1-CD 3.89Å; T177-K232 HydrophobicContact CG2-CB 4.27Å; T177-K232 HydrophobicContact CG2-CG 4.43Å; K232-Q259 HydrophobicContact CB-CB 4.41Å; K232-Q259 HydrophobicContact CD-CG 4.23Å; K232-Q259 PolarHBondContact O-N 3.48Å; K232-N260 PolarHBondContact O-N 3.11Å
233L62.1Low63.6Low1 Ų142 Ų421%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-136.9120.6-173172.654.6000110.4A168 T231 N260 I262A168-L233 VanDerWaalsContact CA-CD2 3.45Å; A168-L233 HydrophobicContact CB-CD2 3.4Å; A168-L233 HydrophobicContact CB-CG 4.11Å; A168-L233 WeakPolarHBondContact O-CD2 3.41Å; T231-L233 VanDerWaalsContact C-N 3.27Å; L233-N260 WeakPolarHBondContact CA-O 3.31Å; L233-N260 HydrophobicContact CB-CB 4.36Å; L233-N260 HydrophobicContact CD1-CB 3.52Å; L233-N260 WeakPolarHBondContact CD1-O 3.36Å; L233-N260 HydrophobicContact CG-CB 4.4Å; L233-I262 HydrophobicContact CD1-CB 4.47Å; L233-I262 HydrophobicContact CD1-CD1 3.6Å; L233-I262 HydrophobicContact CD1-CG1 3.71Å; L233-I262 HydrophobicContact CD2-CD1 3.98Å; L233-I262 HydrophobicContact CG-CD1 4.27Å
234W67.8Low63.9Low20 Ų2043.1 Ų43.18%0.07623%0.229CC..EExtended strand (participates in β ladder)trans-110.6136.6-179.2-78.240.3000110.3I180 I222 I225 V258 N260 W261 I262I180-W234 HydrophobicContact CD1-CZ2 4.01Å; I222-W234 HydrophobicContact CB-CH2 4.14Å; I222-W234 HydrophobicContact CG1-CH2 3.9Å; I222-W234 HydrophobicContact CG1-CZ3 4.01Å; I222-W234 HydrophobicContact CG2-CH2 3.71Å; I222-W234 HydrophobicContact CG2-CZ2 4.31Å; I222-W234 HydrophobicContact CG2-CZ3 4.39Å; I225-W234 HydrophobicContact CG2-CH2 4.46Å; I225-W234 HydrophobicContact CG2-CZ2 4.35Å; W234-V258 HydrophobicContact CB-CG1 4.16Å; W234-V258 HydrophobicContact CD2-CG2 4.48Å; W234-V258 HydrophobicContact CG-CG1 3.86Å; W234-V258 HydrophobicContact CG-CG2 4.35Å; W234-N260 PolarHBondContact N-O 2.88Å; W234-N260 VanDerWaalsContact N-O 3.14Å; W234-W261 HydrophobicContact CB-CD2 4.46Å; W234-W261 HydrophobicContact CB-CE3 3.96Å; W234-W261 HydrophobicContact CB-CH2 4.23Å; W234-W261 HydrophobicContact CB-CZ3 3.85Å; W234-W261 AromaticContact CD2-CH2 3.97Å; W234-W261 HydrophobicContact CD2-CH2 3.97Å; W234-W261 HydrophobicContact CD2-CZ3 4.22Å; W234-W261 AromaticContact CE3-CH2 3.74Å; W234-W261 HydrophobicContact CE3-CH2 3.74Å; W234-W261 AromaticContact CE3-CZ3 3.83Å; W234-W261 HydrophobicContact CE3-CZ3 3.83Å; W234-W261 HydrophobicContact CG-CH2 4.2Å; W234-W261 HydrophobicContact CG-CZ3 4.27Å; W234-W261 HydrophobicContact CZ3-CH2 4.47Å; W234-I262 PolarHBondContact O-N 2.8Å
235L64.7Low64.3Low0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-111.5123.6177.7-176.572.7000111.3L164 T179 I180 I181 R182 I262L164-L235 HydrophobicContact CB-CD1 3.52Å; L164-L235 HydrophobicContact CB-CD2 3.47Å; L164-L235 VanDerWaalsContact CB-CD2 3.47Å; L164-L235 HydrophobicContact CB-CG 4.1Å; L164-L235 HydrophobicContact CD1-CD1 4Å; L164-L235 HydrophobicContact CD1-CD2 4Å; L164-L235 HydrophobicContact CD1-CG 4.33Å; L164-L235 HydrophobicContact CD2-CD1 3.57Å; L164-L235 HydrophobicContact CG-CD1 3.89Å; L164-L235 HydrophobicContact CG-CD2 4.29Å; T179-L235 HydrophobicContact CG2-CB 3.56Å; I180-L235 PolarHBondContact O-N 3Å; I180-L235 VanDerWaalsContact O-N 3.15Å; I181-L235 HydrophobicContact CB-CD2 4.38Å; I181-L235 HydrophobicContact CD1-CD2 3.8Å; I181-L235 HydrophobicContact CG1-CD2 3.77Å; I181-L235 HydrophobicContact CG2-CD2 4.09Å; R182-L235 PolarHBondContact N-O 3.07Å; L235-I262 WeakPolarHBondContact CA-O 3.38Å; L235-I262 HydrophobicContact CD1-CB 3.62Å; L235-I262 HydrophobicContact CD1-CG2 3.43Å; L235-I262 VanDerWaalsContact CD1-CG2 3.43Å
236L67.4Low64.8Low4 Ų442.7 Ų42.72%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-112.5116.1-179.1-62.4179.6000110.5R182 V238 V243 I246 W261 I262 I263 Y264R182-L236 HydrophobicContact CB-CD2 4.11Å; L236-V238 HydrophobicContact CB-CG2 4.12Å; L236-V238 HydrophobicContact CD2-CG2 4.32Å; L236-V243 HydrophobicContact CD1-CG1 4.39Å; L236-I246 HydrophobicContact CD1-CD1 4Å; L236-I246 HydrophobicContact CD1-CG2 4.29Å; L236-I246 HydrophobicContact CD2-CD1 3.61Å; L236-I246 HydrophobicContact CG-CD1 4.43Å; L236-W261 HydrophobicContact CD1-CE3 3.79Å; L236-W261 HydrophobicContact CD1-CZ3 3.95Å; L236-W261 HydrophobicContact CG-CE3 4.37Å; L236-W261 HydrophobicContact CG-CZ3 4.47Å; L236-I262 PolarHBondContact N-O 3.16Å; L236-I263 HydrophobicContact CB-CG1 4.11Å; L236-I263 HydrophobicContact CD1-CG1 4.02Å; L236-I263 HydrophobicContact CG-CG1 4.48Å; L236-Y264 PolarHBondContact O-N 3.33Å; L236-Y264 VanDerWaalsContact O-N 3.16Å
237L64.5Low65.4Low34 Ų3438.7 Ų38.718%0.17821%0.213CC..EExtended strand (participates in β ladder)trans-10966.8168.6-73.2175.3000108.7L160 A161 L164 I181 R182 Y264L160-L237 HydrophobicContact CD2-CD2 3.29Å; L160-L237 HydrophobicContact CG-CD2 4.1Å; A161-L237 HydrophobicContact CB-CD1 3.8Å; L164-L237 HydrophobicContact CD1-CD1 4.28Å; L164-L237 HydrophobicContact CD1-CD2 3.15Å; L164-L237 HydrophobicContact CD1-CG 3.83Å; I181-L237 HydrophobicContact CG2-CD1 3.48Å; I181-L237 VanDerWaalsContact CG2-CD1 3.48Å; I181-L237 HydrophobicContact CG2-CG 4.11Å; R182-L237 CarbonylContact O-C 3.55Å; R182-L237 WeakPolarHBondContact O-CA 3.42Å; R182-L237 VanDerWaalsContact O-CB 3.29Å; R182-L237 WeakPolarHBondContact O-CB 3.27Å; R182-L237 PolarHBondContact O-N 3.38Å; R182-L237 VanDerWaalsContact O-O 3.11Å; L237-Y264 HydrophobicContact CD2-CD1 4.41Å; L237-Y264 HydrophobicContact CD2-CG 4.36Å
238V66Low65.9Low14 Ų1435.2 Ų35.29%0.08519%0.187CC..SBendtrans-137.6160.7-171.8-138.40000110.3R182 L236 T242 V243 I246R182-V238 HydrophobicContact CB-CG2 4.16Å; R182-V238 HydrophobicContact CG-CG2 3.92Å; L236-V238 HydrophobicContact CB-CG2 4.12Å; L236-V238 HydrophobicContact CD2-CG2 4.32Å; V238-T242 HydrophobicContact CB-CG2 4.25Å; V238-T242 HydrophobicContact CG1-CG2 3.48Å; V238-T242 VanDerWaalsContact CG1-CG2 3.48Å; V238-V243 HydrophobicContact CB-CG2 4.26Å; V238-I246 HydrophobicContact CG2-CD1 4.39Å
239D65.7Low66.7Low77 Ų7731.1 Ų31.141%0.41216%0.163SC..  trans-65.1149.8174.962.6-32.7000112.3P241 T242 V243D239-P241 VanDerWaalsContact C-CD 3.46Å; D239-P241 VanDerWaalsContact C-N 3.34Å; D239-T242 PolarHBondContact O-N 2.97Å; D239-T242 WeakPolarHBondContact OD1-CB 3.2Å; D239-T242 PolarHBondContact OD1-OG1 3.09Å; D239-V243 PolarHBondContact O-N 2.94Å
240S68.8Low67.4Low15 Ų1531.4 Ų31.411%0.10517%0.165CC..Hα-helixtrans-43.5-48179.9149.90000114.2T242 V243 W244 F272S240-T242 VanDerWaalsContact C-N 3.34Å; S240-T242 PolarHBondContact O-N 2.87Å; S240-V243 PolarHBondContact O-N 3.03Å; S240-W244 PolarHBondContact O-N 3.05Å; S240-W244 VanDerWaalsContact O-N 3.12Å; S240-F272 VanDerWaalsContact OG-CB 3.24Å; S240-F272 WeakPolarHBondContact OG-CB 3.18Å
241P68.1Low68.2Low71 Ų7124.1 Ų24.146%0.46113%0.13SC..Hα-helixtrans-62.6-37.5178-2434.8000113.8D239 W244 N245D239-P241 VanDerWaalsContact C-CD 3.46Å; D239-P241 VanDerWaalsContact C-N 3.34Å; P241-W244 WeakPolarHBondContact O-CB 3.35Å; P241-W244 PolarHBondContact O-N 2.81Å; P241-N245 PolarHBondContact O-N 2.85Å
242T70.2Confident68.7Low16 Ų1630.2 Ų30.210%0.09816%0.156CC..Hα-helixtrans-74-36.9179.8-59.10000111.4R182 V238 D239 S240 W244 N245 I246R182-T242 VanDerWaalsContact NH1-CG2 3.29Å; R182-T242 VanDerWaalsContact NH2-CG2 3.29Å; V238-T242 HydrophobicContact CB-CG2 4.25Å; V238-T242 HydrophobicContact CG1-CG2 3.48Å; V238-T242 VanDerWaalsContact CG1-CG2 3.48Å; D239-T242 PolarHBondContact O-N 2.97Å; D239-T242 WeakPolarHBondContact OD1-CB 3.2Å; D239-T242 PolarHBondContact OD1-OG1 3.09Å; S240-T242 VanDerWaalsContact C-N 3.34Å; S240-T242 PolarHBondContact O-N 2.87Å; T242-W244 VanDerWaalsContact C-N 3.29Å; T242-W244 PolarHBondContact O-N 2.94Å; T242-N245 PolarHBondContact O-N 3.49Å; T242-I246 HydrophobicContact CG2-CD1 4.26Å; T242-I246 VanDerWaalsContact O-CG1 3.27Å; T242-I246 WeakPolarHBondContact O-CG1 3.4Å; T242-I246 PolarHBondContact O-N 3.45Å
243V72.8Confident69Low0 Ų029.7 Ų29.70%016%0.158CC..Hα-helixtrans-57.6-44.5172.61750000110.5L236 V238 D239 S240 N245 I246 L247 I263 F272L236-V243 HydrophobicContact CD1-CG1 4.39Å; V238-V243 HydrophobicContact CB-CG2 4.26Å; D239-V243 PolarHBondContact O-N 2.94Å; S240-V243 PolarHBondContact O-N 3.03Å; V243-N245 PolarHBondContact O-N 3Å; V243-I246 PolarHBondContact O-N 3.31Å; V243-L247 HydrophobicContact CG1-CD1 3.75Å; V243-L247 HydrophobicContact CG1-CG 4.28Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 3.17Å; V243-I263 HydrophobicContact CG1-CD1 3.63Å; V243-I263 HydrophobicContact CG1-CG1 4.12Å; V243-I263 HydrophobicContact CG1-CG2 4.05Å; V243-I263 HydrophobicContact CG2-CG2 4.01Å; V243-F272 HydrophobicContact CB-CD2 4.24Å; V243-F272 HydrophobicContact CB-CE2 4.38Å; V243-F272 HydrophobicContact CG1-CD2 3.61Å; V243-F272 HydrophobicContact CG1-CE2 3.32Å; V243-F272 HydrophobicContact CG1-CG 4.43Å; V243-F272 HydrophobicContact CG1-CZ 3.94Å
244W72.8Confident68.8Low49 Ų4936.1 Ų36.119%0.18619%0.188CC..Hα-helixtrans-58-48.3174.6176.3-100.8000112.6S240 P241 T242 I246 L247 T248 F272 L273 V275 N284 L286S240-W244 PolarHBondContact O-N 3.05Å; S240-W244 VanDerWaalsContact O-N 3.12Å; P241-W244 WeakPolarHBondContact O-CB 3.35Å; P241-W244 PolarHBondContact O-N 2.81Å; T242-W244 VanDerWaalsContact C-N 3.29Å; T242-W244 PolarHBondContact O-N 2.94Å; W244-I246 VanDerWaalsContact C-N 3.3Å; W244-I246 PolarHBondContact O-N 2.91Å; W244-L247 PolarHBondContact O-N 3.49Å; W244-T248 HydrophobicContact CD2-CG2 3.79Å; W244-T248 VanDerWaalsContact CE2-CG2 3.47Å; W244-T248 HydrophobicContact CE3-CG2 4.25Å; W244-T248 HydrophobicContact CG-CG2 4.25Å; W244-T248 HydrophobicContact CH2-CG2 4.32Å; W244-T248 HydrophobicContact CZ2-CG2 3.78Å; W244-T248 WeakPolarHBondContact O-CB 3.38Å; W244-T248 WeakPolarHBondContact O-CG2 3.27Å; W244-T248 PolarHBondContact O-N 3.28Å; W244-T248 PolarHBondContact O-OG1 2.83Å; W244-F272 WeakPolarHBondContact CZ3-O 3.37Å; W244-L273 WeakPolarHBondContact CZ3-O 3.38Å; W244-V275 HydrophobicContact CD2-CG2 3.51Å; W244-V275 HydrophobicContact CE3-CG2 3.88Å; W244-V275 HydrophobicContact CG-CG2 4.07Å; W244-V275 HydrophobicContact CH2-CB 3.88Å; W244-V275 HydrophobicContact CH2-CG2 3.74Å; W244-V275 HydrophobicContact CZ2-CB 3.56Å; W244-V275 HydrophobicContact CZ2-CG2 3.44Å; W244-V275 VanDerWaalsContact CZ2-CG2 3.44Å; W244-V275 HydrophobicContact CZ3-CG2 3.96Å; W244-N284 WeakPolarHBondContact CH2-O 3Å; W244-L286 HydrophobicContact CE3-CD1 3.84Å; W244-L286 HydrophobicContact CE3-CG 4.31Å; W244-L286 HydrophobicContact CH2-CG 4.33Å; W244-L286 HydrophobicContact CZ3-CD1 3.78Å; W244-L286 HydrophobicContact CZ3-CG 3.73Å
245N72.6Confident68.1Low88 Ų8837.4 Ų37.447%0.47120%0.195SC..Hα-helixtrans-61-38-180-71.3-19.6000112.4P241 T242 V243 T248 S249P241-N245 PolarHBondContact O-N 2.85Å; T242-N245 PolarHBondContact O-N 3.49Å; V243-N245 PolarHBondContact O-N 3Å; N245-T248 WeakPolarHBondContact CA-OG1 3.37Å; N245-T248 PolarHBondContact O-OG1 3.48Å; N245-T248 VanDerWaalsContact O-OG1 3.1Å; N245-S249 VanDerWaalsContact O-CB 3.32Å; N245-S249 WeakPolarHBondContact O-CB 3.42Å; N245-S249 PolarHBondContact O-N 3.32Å; N245-S249 VanDerWaalsContact O-N 3.09Å; N245-S249 PolarHBondContact O-OG 2.82Å
246I73Confident67.5Low4 Ų441.8 Ų41.82%0.02122%0.222CC..Hα-helixtrans-66.8-54175.8-61.7165.2000110.5L218 L236 V238 T242 V243 W244 T248 S249 V250 W261L218-I246 HydrophobicContact CD2-CG1 4.28Å; L236-I246 HydrophobicContact CD1-CD1 4Å; L236-I246 HydrophobicContact CD1-CG2 4.29Å; L236-I246 HydrophobicContact CD2-CD1 3.61Å; L236-I246 HydrophobicContact CG-CD1 4.43Å; V238-I246 HydrophobicContact CG2-CD1 4.39Å; T242-I246 HydrophobicContact CG2-CD1 4.26Å; T242-I246 VanDerWaalsContact O-CG1 3.27Å; T242-I246 WeakPolarHBondContact O-CG1 3.4Å; T242-I246 PolarHBondContact O-N 3.45Å; V243-I246 PolarHBondContact O-N 3.31Å; W244-I246 VanDerWaalsContact C-N 3.3Å; W244-I246 PolarHBondContact O-N 2.91Å; I246-T248 VanDerWaalsContact C-N 3.3Å; I246-T248 PolarHBondContact O-N 3.13Å; I246-S249 PolarHBondContact O-N 3.01Å; I246-V250 HydrophobicContact CG2-CG2 4.27Å; I246-V250 VanDerWaalsContact O-CG2 3.23Å; I246-V250 WeakPolarHBondContact O-CG2 3.37Å; I246-V250 PolarHBondContact O-N 3.37Å; I246-W261 HydrophobicContact CG2-CH2 4.26Å; I246-W261 HydrophobicContact CG2-CZ3 3.89Å
247L73.6Confident67Low0 Ų046.2 Ų46.20%025%0.245CC..Hα-helixtrans-63.9-37.6-175-67.2173.2000111.6V243 W244 T251 W261 I263 F272 L273 L286 L291 L294V243-L247 HydrophobicContact CG1-CD1 3.75Å; V243-L247 HydrophobicContact CG1-CG 4.28Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 3.17Å; W244-L247 PolarHBondContact O-N 3.49Å; L247-T251 WeakPolarHBondContact O-CB 3.49Å; L247-T251 VanDerWaalsContact O-CG2 3.23Å; L247-T251 WeakPolarHBondContact O-CG2 3.48Å; L247-T251 PolarHBondContact O-N 3.34Å; L247-T251 PolarHBondContact O-OG1 3.38Å; L247-W261 HydrophobicContact CD2-CD2 3.73Å; L247-W261 HydrophobicContact CD2-CE3 3.73Å; L247-W261 HydrophobicContact CD2-CG 4.14Å; L247-W261 HydrophobicContact CD2-CZ3 4.27Å; L247-I263 HydrophobicContact CD1-CD1 3.99Å; L247-F272 HydrophobicContact CD1-CD2 4.47Å; L247-F272 HydrophobicContact CD1-CE2 3.87Å; L247-L273 HydrophobicContact CD1-CD2 4.22Å; L247-L286 HydrophobicContact CB-CD1 3.56Å; L247-L286 HydrophobicContact CD1-CD1 3.97Å; L247-L286 HydrophobicContact CG-CD1 4.43Å; L247-L291 HydrophobicContact CD2-CD1 4.24Å; L247-L291 HydrophobicContact CD2-CD2 4.07Å; L247-L294 HydrophobicContact CD1-CD1 3.79Å; L247-L294 HydrophobicContact CD2-CD1 4.17Å
248T71.9Confident66.5Low20 Ų2045.6 Ų45.612%0.12324%0.243CC..Hα-helixtrans-66.8-42.7174.351.40000112.4W244 N245 I246 V250 T251 K252 L286W244-T248 HydrophobicContact CD2-CG2 3.79Å; W244-T248 VanDerWaalsContact CE2-CG2 3.47Å; W244-T248 HydrophobicContact CE3-CG2 4.25Å; W244-T248 HydrophobicContact CG-CG2 4.25Å; W244-T248 HydrophobicContact CH2-CG2 4.32Å; W244-T248 HydrophobicContact CZ2-CG2 3.78Å; W244-T248 WeakPolarHBondContact O-CB 3.38Å; W244-T248 WeakPolarHBondContact O-CG2 3.27Å; W244-T248 PolarHBondContact O-N 3.28Å; W244-T248 PolarHBondContact O-OG1 2.83Å; N245-T248 WeakPolarHBondContact CA-OG1 3.37Å; N245-T248 PolarHBondContact O-OG1 3.48Å; N245-T248 VanDerWaalsContact O-OG1 3.1Å; I246-T248 VanDerWaalsContact C-N 3.3Å; I246-T248 PolarHBondContact O-N 3.13Å; T248-V250 PolarHBondContact O-N 2.89Å; T248-T251 WeakPolarHBondContact CA-OG1 3.26Å; T248-T251 PolarHBondContact O-N 2.68Å; T248-T251 PolarHBondContact O-OG1 3.31Å; T248-K252 WeakPolarHBondContact O-CB 3.37Å; T248-K252 WeakPolarHBondContact O-CG 3.48Å; T248-K252 PolarHBondContact O-N 2.82Å; T248-L286 HydrophobicContact CG2-CD2 4.34Å
249S71.4Confident66.1Low4 Ų448.4 Ų48.43%0.02826%0.256CS..Hα-helixtrans-61.9-43.7176.2-59.40000111.5N245 I246 S253N245-S249 VanDerWaalsContact O-CB 3.32Å; N245-S249 WeakPolarHBondContact O-CB 3.42Å; N245-S249 PolarHBondContact O-N 3.32Å; N245-S249 VanDerWaalsContact O-N 3.09Å; N245-S249 PolarHBondContact O-OG 2.82Å; I246-S249 PolarHBondContact O-N 3.01Å; S249-S253 VanDerWaalsContact O-CB 3.29Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 2.92Å; S249-S253 PolarHBondContact O-OG 2.86Å
250V72.2Confident65.9Low9 Ų945.6 Ų45.66%0.05524%0.241CC..Hα-helixtrans-64.2-48.9178.5171.70000111.1I222 I246 T248 K252 S253 Q254 W261I222-V250 HydrophobicContact CD1-CG2 4Å; I246-V250 HydrophobicContact CG2-CG2 4.27Å; I246-V250 VanDerWaalsContact O-CG2 3.23Å; I246-V250 WeakPolarHBondContact O-CG2 3.37Å; I246-V250 PolarHBondContact O-N 3.37Å; T248-V250 PolarHBondContact O-N 2.89Å; V250-K252 VanDerWaalsContact C-N 3.33Å; V250-K252 PolarHBondContact O-N 3.44Å; V250-S253 WeakPolarHBondContact CA-OG 3.42Å; V250-S253 PolarHBondContact O-N 2.79Å; V250-S253 PolarHBondContact O-OG 3.38Å; V250-Q254 PolarHBondContact O-N 2.89Å; V250-W261 HydrophobicContact CB-CH2 4.41Å; V250-W261 HydrophobicContact CB-CZ2 4.27Å; V250-W261 HydrophobicContact CG1-CH2 4.29Å; V250-W261 HydrophobicContact CG1-CZ2 3.71Å; V250-W261 HydrophobicContact CG2-CH2 3.64Å; V250-W261 HydrophobicContact CG2-CZ2 3.95Å
251T69Low66Low21 Ų2145 Ų4513%0.12924%0.236CC..Hα-helixtrans-64.3-36.3-179.150.80000112.6L247 T248 L286 N290 L291L247-T251 WeakPolarHBondContact O-CB 3.49Å; L247-T251 VanDerWaalsContact O-CG2 3.23Å; L247-T251 WeakPolarHBondContact O-CG2 3.48Å; L247-T251 PolarHBondContact O-N 3.34Å; L247-T251 PolarHBondContact O-OG1 3.38Å; T248-T251 WeakPolarHBondContact CA-OG1 3.26Å; T248-T251 PolarHBondContact O-N 2.68Å; T248-T251 PolarHBondContact O-OG1 3.31Å; T251-L286 HydrophobicContact CG2-CD2 4.2Å; T251-N290 HydrophobicContact CG2-CB 3.82Å; T251-L291 HydrophobicContact CG2-CD1 4.04Å; T251-L291 HydrophobicContact CG2-CD2 4.01Å; T251-L291 HydrophobicContact CG2-CG 3.79Å
252K68.6Low65.9Low138 Ų13841.6 Ų41.660%0.621%0.214SC*.Hα-helixtrans-68.1-39.8172-74.3175.9-175.3175.30112.7E215 T248 V250 Q254E215-K252 WeakPolarHBondContact OE1-CD 3.41Å; E215-K252 WeakPolarHBondContact OE1-CE 3.35Å; E215-K252 IonicContact OE1-NZ 2.99Å; E215-K252 PolarHBondContact OE1-NZ 3.12Å; E215-K252 IonicContact OE2-NZ 2.93Å; T248-K252 WeakPolarHBondContact O-CB 3.37Å; T248-K252 WeakPolarHBondContact O-CG 3.48Å; T248-K252 PolarHBondContact O-N 2.82Å; V250-K252 VanDerWaalsContact C-N 3.33Å; V250-K252 PolarHBondContact O-N 3.44Å; K252-Q254 PolarHBondContact O-N 2.92Å
253S66.3Low65.9Low39 Ų3940.9 Ų40.927%0.27321%0.209SC..Hα-helixtrans-70.3-8.3-178.374.30000114.4S249 V250 Q255S249-S253 VanDerWaalsContact O-CB 3.29Å; S249-S253 WeakPolarHBondContact O-CB 3.29Å; S249-S253 PolarHBondContact O-N 2.92Å; S249-S253 PolarHBondContact O-OG 2.86Å; V250-S253 WeakPolarHBondContact CA-OG 3.42Å; V250-S253 PolarHBondContact O-N 2.79Å; V250-S253 PolarHBondContact O-OG 3.38Å; S253-Q255 PolarHBondContact O-N 3.33Å; S253-Q255 WeakPolarHBondContact OG-CG 3.49Å
254Q56.7Low65.5Low135 Ų13542 Ų4263%0.63121%0.214SC*.THydrogen-bonded Turntrans52.226.5-177.1-67-106.6-31.900113.2V250 K252 T256V250-Q254 PolarHBondContact O-N 2.89Å; K252-Q254 PolarHBondContact O-N 2.92Å; Q254-T256 VanDerWaalsContact C-N 3.34Å; Q254-T256 PolarHBondContact O-N 2.92Å
255Q54.5Low65.1Low48 Ų4840.6 Ų40.622%0.22421%0.209CC..  trans-77.984.4174-71.1-169.80.700109.7S253 D257S253-Q255 PolarHBondContact O-N 3.33Å; S253-Q255 WeakPolarHBondContact OG-CG 3.49Å; Q255-D257 VanDerWaalsContact C-N 3.33Å; Q255-D257 PolarHBondContact O-N 2.81Å
256T52Low64.6Low92 Ų9238.3 Ų38.356%0.56420%0.196SC*.THydrogen-bonded Turntrans-81.34.7-168.948.80000116.1Q254Q254-T256 VanDerWaalsContact C-N 3.34Å; Q254-T256 PolarHBondContact O-N 2.92Å
257D56.7Low63.9Low96 Ų9640.7 Ų40.751%0.51321%0.207SC..THydrogen-bonded Turntrans-78.7-24.3-175.3-67.6-43.9000113.8K226 Q255 Q259K226-D257 WeakPolarHBondContact CE-OD2 3.24Å; K226-D257 IonicContact NZ-OD2 3.96Å; K226-D257 PolarHBondContact NZ-OD2 3.36Å; Q255-D257 VanDerWaalsContact C-N 3.33Å; Q255-D257 PolarHBondContact O-N 2.81Å; D257-Q259 PolarHBondContact O-N 3.17Å
258V54.6Low63Low22 Ų2243.7 Ų43.713%0.13323%0.225CC..  trans-76.3105.3177.1-173.20000108.8W234 W261W234-V258 HydrophobicContact CB-CG1 4.16Å; W234-V258 HydrophobicContact CD2-CG2 4.48Å; W234-V258 HydrophobicContact CG-CG1 3.86Å; W234-V258 HydrophobicContact CG-CG2 4.35Å; V258-W261 HydrophobicContact CB-CZ2 3.89Å; V258-W261 HydrophobicContact CG1-CD2 4.32Å; V258-W261 HydrophobicContact CG1-CH2 4.41Å; V258-W261 HydrophobicContact CG1-CZ2 3.62Å; V258-W261 HydrophobicContact CG2-CZ2 4.27Å
259Q56.9Low62.4Low73 Ų7347.2 Ų47.234%0.34124%0.243SC..  trans-84.4-28.2-174.9-67.1-172.7-23.500113.2K232 D257 N292 K293K232-Q259 HydrophobicContact CB-CB 4.41Å; K232-Q259 HydrophobicContact CD-CG 4.23Å; K232-Q259 PolarHBondContact O-N 3.48Å; D257-Q259 PolarHBondContact O-N 3.17Å; Q259-N292 HydrophobicContact CB-CB 4.31Å; Q259-N292 CarbonylContact O-C 3.38Å; Q259-N292 WeakPolarHBondContact O-CB 3.2Å; Q259-K293 PolarHBondContact O-N 3.16Å
260N61.9Low62Low18 Ų1847.1 Ų47.110%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-135.7137.9-174.4-60.4-52.9000110.1K232 L233 W234 K293K232-N260 PolarHBondContact O-N 3.11Å; L233-N260 WeakPolarHBondContact CA-O 3.31Å; L233-N260 HydrophobicContact CB-CB 4.36Å; L233-N260 HydrophobicContact CD1-CB 3.52Å; L233-N260 WeakPolarHBondContact CD1-O 3.36Å; L233-N260 HydrophobicContact CG-CB 4.4Å; W234-N260 PolarHBondContact N-O 2.88Å; W234-N260 VanDerWaalsContact N-O 3.14Å; N260-K293 WeakPolarHBondContact CA-O 3.24Å; N260-K293 WeakPolarHBondContact OD1-CB 3.21Å
261W70Confident61.5Low2 Ų250.2 Ų50.21%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-118.8124.6173.4-65.780.2000108W234 L236 I246 L247 V250 V258 K293 L294 Y295W234-W261 HydrophobicContact CB-CD2 4.46Å; W234-W261 HydrophobicContact CB-CE3 3.96Å; W234-W261 HydrophobicContact CB-CH2 4.23Å; W234-W261 HydrophobicContact CB-CZ3 3.85Å; W234-W261 AromaticContact CD2-CH2 3.97Å; W234-W261 HydrophobicContact CD2-CH2 3.97Å; W234-W261 HydrophobicContact CD2-CZ3 4.22Å; W234-W261 AromaticContact CE3-CH2 3.74Å; W234-W261 HydrophobicContact CE3-CH2 3.74Å; W234-W261 AromaticContact CE3-CZ3 3.83Å; W234-W261 HydrophobicContact CE3-CZ3 3.83Å; W234-W261 HydrophobicContact CG-CH2 4.2Å; W234-W261 HydrophobicContact CG-CZ3 4.27Å; W234-W261 HydrophobicContact CZ3-CH2 4.47Å; L236-W261 HydrophobicContact CD1-CE3 3.79Å; L236-W261 HydrophobicContact CD1-CZ3 3.95Å; L236-W261 HydrophobicContact CG-CE3 4.37Å; L236-W261 HydrophobicContact CG-CZ3 4.47Å; I246-W261 HydrophobicContact CG2-CH2 4.26Å; I246-W261 HydrophobicContact CG2-CZ3 3.89Å; L247-W261 HydrophobicContact CD2-CD2 3.73Å; L247-W261 HydrophobicContact CD2-CE3 3.73Å; L247-W261 HydrophobicContact CD2-CG 4.14Å; L247-W261 HydrophobicContact CD2-CZ3 4.27Å; V250-W261 HydrophobicContact CB-CH2 4.41Å; V250-W261 HydrophobicContact CB-CZ2 4.27Å; V250-W261 HydrophobicContact CG1-CH2 4.29Å; V250-W261 HydrophobicContact CG1-CZ2 3.71Å; V250-W261 HydrophobicContact CG2-CH2 3.64Å; V250-W261 HydrophobicContact CG2-CZ2 3.95Å; V258-W261 HydrophobicContact CB-CZ2 3.89Å; V258-W261 HydrophobicContact CG1-CD2 4.32Å; V258-W261 HydrophobicContact CG1-CH2 4.41Å; V258-W261 HydrophobicContact CG1-CZ2 3.62Å; V258-W261 HydrophobicContact CG2-CZ2 4.27Å; W261-K293 PolarHBondContact N-O 3.34Å; W261-L294 HydrophobicContact CB-CD1 4.19Å; W261-L294 HydrophobicContact CB-CG 4.42Å; W261-L294 WeakPolarHBondContact O-CA 3.33Å; W261-Y295 PolarHBondContact O-N 3.35Å
262I66.3Low61.3Low0 Ų049.7 Ų49.70%025%0.254CS..EExtended strand (participates in β ladder)trans-110.8121.7170.1-63.2165.2000107.1L164 F167 A168 I171 L233 W234 L235 L236 Y295 L297L164-I262 HydrophobicContact CD2-CG2 3.58Å; F167-I262 HydrophobicContact CD1-CD1 3.82Å; F167-I262 HydrophobicContact CD1-CG1 4.45Å; F167-I262 HydrophobicContact CD1-CG2 4.46Å; F167-I262 HydrophobicContact CE1-CD1 4.01Å; F167-I262 HydrophobicContact CE1-CG1 4.3Å; A168-I262 VanDerWaalsContact CA-CD1 3.48Å; A168-I262 HydrophobicContact CB-CD1 3.64Å; I171-I262 HydrophobicContact CD1-CD1 3.85Å; I171-I262 HydrophobicContact CD1-CG1 4.16Å; L233-I262 HydrophobicContact CD1-CB 4.47Å; L233-I262 HydrophobicContact CD1-CD1 3.6Å; L233-I262 HydrophobicContact CD1-CG1 3.71Å; L233-I262 HydrophobicContact CD2-CD1 3.98Å; L233-I262 HydrophobicContact CG-CD1 4.27Å; W234-I262 PolarHBondContact O-N 2.8Å; L235-I262 WeakPolarHBondContact CA-O 3.38Å; L235-I262 HydrophobicContact CD1-CB 3.62Å; L235-I262 HydrophobicContact CD1-CG2 3.43Å; L235-I262 VanDerWaalsContact CD1-CG2 3.43Å; L236-I262 PolarHBondContact N-O 3.16Å; I262-Y295 HydrophobicContact CG1-CD2 4.33Å; I262-L297 HydrophobicContact CG2-CD1 3.56Å
263I69.2Low61.4Low0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-120.3125.5-178.9-63.9157.6000106.3L236 V243 L247 E265 F272 L294 Y295 C296 L297L236-I263 HydrophobicContact CB-CG1 4.11Å; L236-I263 HydrophobicContact CD1-CG1 4.02Å; L236-I263 HydrophobicContact CG-CG1 4.48Å; V243-I263 HydrophobicContact CG1-CD1 3.63Å; V243-I263 HydrophobicContact CG1-CG1 4.12Å; V243-I263 HydrophobicContact CG1-CG2 4.05Å; V243-I263 HydrophobicContact CG2-CG2 4.01Å; L247-I263 HydrophobicContact CD1-CD1 3.99Å; I263-E265 HydrophobicContact CG2-CB 4.5Å; I263-F272 HydrophobicContact CB-CZ 4.48Å; I263-F272 HydrophobicContact CD1-CE2 3.94Å; I263-F272 HydrophobicContact CD1-CZ 3.78Å; I263-F272 HydrophobicContact CG2-CE1 4.27Å; I263-F272 HydrophobicContact CG2-CZ 3.98Å; I263-L294 HydrophobicContact CD1-CD1 3.34Å; I263-L294 HydrophobicContact CD1-CD2 4.21Å; I263-L294 HydrophobicContact CD1-CG 3.79Å; I263-Y295 PolarHBondContact N-O 2.73Å; I263-C296 WeakPolarHBondContact O-CA 3.34Å; I263-L297 PolarHBondContact O-N 2.97Å
264Y65.1Low61.4Low24 Ų2441.9 Ų41.99%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-80.6121.2162.9178.2-111.3000108.5L160 L236 L237 E266 L297L160-Y264 HydrophobicContact CD1-CD1 4.3Å; L160-Y264 HydrophobicContact CD1-CD2 3.37Å; L160-Y264 HydrophobicContact CD1-CE1 4.07Å; L160-Y264 HydrophobicContact CD1-CE2 3.13Å; L160-Y264 HydrophobicContact CD1-CG 3.93Å; L160-Y264 VanDerWaalsContact CD1-CZ 3.47Å; L160-Y264 HydrophobicContact CD2-CD1 3.3Å; L160-Y264 HydrophobicContact CD2-CD2 3.88Å; L160-Y264 HydrophobicContact CD2-CE1 3.44Å; L160-Y264 VanDerWaalsContact CD2-CE1 3.44Å; L160-Y264 HydrophobicContact CD2-CE2 4.05Å; L160-Y264 HydrophobicContact CD2-CG 3.47Å; L160-Y264 VanDerWaalsContact CD2-CG 3.47Å; L160-Y264 HydrophobicContact CG-CD1 4.28Å; L160-Y264 HydrophobicContact CG-CD2 3.98Å; L160-Y264 HydrophobicContact CG-CE1 4.35Å; L160-Y264 HydrophobicContact CG-CE2 4.11Å; L160-Y264 HydrophobicContact CG-CG 4.04Å; L236-Y264 PolarHBondContact O-N 3.33Å; L236-Y264 VanDerWaalsContact O-N 3.16Å; L237-Y264 HydrophobicContact CD2-CD1 4.41Å; L237-Y264 HydrophobicContact CD2-CG 4.36Å; Y264-E266 HydrophobicContact CD1-CG 4.43Å; Y264-E266 HydrophobicContact CE1-CG 3.62Å; Y264-L297 HydrophobicContact CD2-CB 4.34Å; Y264-L297 WeakPolarHBondContact CD2-O 3.43Å
265E65.1Low61.9Low19 Ų1938.4 Ų38.49%0.08921%0.205CC..  trans-129.5133174.2-175.558.6-101.900107.8I263 H267 F272I263-E265 HydrophobicContact CG2-CB 4.5Å; E265-H267 VanDerWaalsContact C-N 3.35Å; E265-H267 WeakPolarHBondContact CG-O 3.45Å; E265-F272 HydrophobicContact CB-CE1 4.13Å; E265-F272 HydrophobicContact CG-CD1 4.11Å; E265-F272 HydrophobicContact CG-CE1 3.98Å; E265-F272 WeakPolarHBondContact OE2-CD1 3.39Å
266E60.8Low62.3Low41 Ų4141.3 Ų41.319%0.19222%0.218CC..SBendtrans-78.3-26.6-175.3-60.8-168.3178.300111.7Y264 K326 Q327Y264-E266 HydrophobicContact CD1-CG 4.43Å; Y264-E266 HydrophobicContact CE1-CG 3.62Å; E266-K326 VanDerWaalsContact OE1-CA 3.28Å; E266-K326 WeakPolarHBondContact OE1-CA 3.43Å; E266-K326 VanDerWaalsContact OE2-CA 3.25Å; E266-K326 WeakPolarHBondContact OE2-CA 3.33Å; E266-Q327 PolarHBondContact OE2-N 2.86Å
267H59.1Low62.6Low53 Ų5338.2 Ų38.225%0.24520%0.201CC..SBendtrans-96.9132.7177.4-70.8-71.2000112.5E265 N269 N322 Q327E265-H267 VanDerWaalsContact C-N 3.35Å; E265-H267 WeakPolarHBondContact CG-O 3.45Å; H267-N269 PolarHBondContact O-N 2.99Å; H267-N322 PolarHBondContact NE2-O 3.35Å; H267-N322 VanDerWaalsContact NE2-O 3.08Å; H267-Q327 PolarHBondContact CE1-NE2 2.95Å
268V55.4Low62.8Low63 Ų6341.8 Ų41.838%0.38222%0.22SC..THydrogen-bonded Turntrans-56.5-21.2-176.4-178.60000113.9K298V268-K298 HydrophobicContact CG2-CD 4.01Å
269N57.8Low62.9Low95 Ų9547.1 Ų47.151%0.50825%0.252SS..THydrogen-bonded Turntrans-90-4.5-164.4-66.7-3.5000114.9H267 N271H267-N269 PolarHBondContact O-N 2.99Å; N269-N271 HydrophobicContact CB-CB 4.49Å; N269-N271 VanDerWaalsContact CB-OD1 3.29Å; N269-N271 WeakPolarHBondContact CB-OD1 3.34Å; N269-N271 PolarHBondContact O-N 2.55Å; N269-N271 PolarHBondContact O-OD1 2.94Å
270C63.4Low63Low1 Ų147.7 Ų47.71%0.00726%0.261CS..  trans36.239.7-172.2-54.20000112.3F272 L273 C296 C418C270-F272 HydrophobicContact CB-CD1 4.31Å; C270-F272 HydrophobicContact CB-CE1 3.72Å; C270-F272 HydrophobicContact CB-CZ 4.2Å; C270-F272 PolarHBondContact O-N 3.3Å; C270-F272 VanDerWaalsContact O-N 3.14Å; C270-L273 HydrophobicContact CB-CD1 3.86Å; C270-L273 HydrophobicContact CB-CG 4.34Å; C270-L273 VanDerWaalsContact O-CB 3.3Å; C270-L273 WeakPolarHBondContact O-CB 3.25Å; C270-L273 VanDerWaalsContact O-CG 3.32Å; C270-L273 WeakPolarHBondContact O-CG 3.38Å; C270-L273 PolarHBondContact O-N 3.31Å; C270-C296 WeakPolarHBondContact CB-SG 3.38Å; C270-C296 WeakPolarHBondContact SG-CB 2.92Å; C270-C296 CovalentContact SG-SG 2.06Å; C270-C296 PolarHBondContact SG-SG 2.89Å; C270-C418 HydrophobicContact CB-CB 3.99Å; C270-C418 PolarHBondContact SG-SG 3.02Å
271N61.6Low62.7Low74 Ų7449.9 Ų49.940%0.39629%0.287SS..G310 helixtrans-62.4-25.7-171.7-85.6-15.3000111.4N269 L273 C274N269-N271 HydrophobicContact CB-CB 4.49Å; N269-N271 VanDerWaalsContact CB-OD1 3.29Å; N269-N271 WeakPolarHBondContact CB-OD1 3.34Å; N269-N271 PolarHBondContact O-N 2.55Å; N269-N271 PolarHBondContact O-OD1 2.94Å; N271-L273 PolarHBondContact O-N 3.02Å; N271-C274 PolarHBondContact O-N 3.21Å; N271-C274 VanDerWaalsContact O-O 3.09Å
272F65.9Low62Low10 Ų1055.8 Ų55.84%0.04432%0.315CS..G310 helixtrans-54.9-21.5173.672.1-99.2000112.7S240 V243 W244 L247 I263 E265 C270 C274 L294S240-F272 VanDerWaalsContact OG-CB 3.24Å; S240-F272 WeakPolarHBondContact OG-CB 3.18Å; V243-F272 HydrophobicContact CB-CD2 4.24Å; V243-F272 HydrophobicContact CB-CE2 4.38Å; V243-F272 HydrophobicContact CG1-CD2 3.61Å; V243-F272 HydrophobicContact CG1-CE2 3.32Å; V243-F272 HydrophobicContact CG1-CG 4.43Å; V243-F272 HydrophobicContact CG1-CZ 3.94Å; W244-F272 WeakPolarHBondContact CZ3-O 3.37Å; L247-F272 HydrophobicContact CD1-CD2 4.47Å; L247-F272 HydrophobicContact CD1-CE2 3.87Å; I263-F272 HydrophobicContact CB-CZ 4.48Å; I263-F272 HydrophobicContact CD1-CE2 3.94Å; I263-F272 HydrophobicContact CD1-CZ 3.78Å; I263-F272 HydrophobicContact CG2-CE1 4.27Å; I263-F272 HydrophobicContact CG2-CZ 3.98Å; E265-F272 HydrophobicContact CB-CE1 4.13Å; E265-F272 HydrophobicContact CG-CD1 4.11Å; E265-F272 HydrophobicContact CG-CE1 3.98Å; E265-F272 WeakPolarHBondContact OE2-CD1 3.39Å; C270-F272 HydrophobicContact CB-CD1 4.31Å; C270-F272 HydrophobicContact CB-CE1 3.72Å; C270-F272 HydrophobicContact CB-CZ 4.2Å; C270-F272 PolarHBondContact O-N 3.3Å; C270-F272 VanDerWaalsContact O-N 3.14Å; F272-C274 PolarHBondContact O-N 3.06Å; F272-L294 HydrophobicContact CZ-CD2 4.48Å
273L70.2Confident61.6Low2 Ų260.8 Ų60.81%0.0133%0.334CS..G310 helixtrans-67.4-10.1175.3-67.5170.6000113.5W244 L247 C270 N271 C285 L286 L294 C418 A427W244-L273 WeakPolarHBondContact CZ3-O 3.38Å; L247-L273 HydrophobicContact CD1-CD2 4.22Å; C270-L273 HydrophobicContact CB-CD1 3.86Å; C270-L273 HydrophobicContact CB-CG 4.34Å; C270-L273 VanDerWaalsContact O-CB 3.3Å; C270-L273 WeakPolarHBondContact O-CB 3.25Å; C270-L273 VanDerWaalsContact O-CG 3.32Å; C270-L273 WeakPolarHBondContact O-CG 3.38Å; C270-L273 PolarHBondContact O-N 3.31Å; N271-L273 PolarHBondContact O-N 3.02Å; L273-C285 CarbonylContact O-C 3.54Å; L273-C285 WeakPolarHBondContact O-CA 3.22Å; L273-L286 HydrophobicContact CD2-CD1 4.46Å; L273-L286 PolarHBondContact O-N 3.42Å; L273-L294 HydrophobicContact CD1-CD2 3.9Å; L273-L294 HydrophobicContact CD2-CD1 3.96Å; L273-L294 HydrophobicContact CD2-CD2 3.91Å; L273-L294 HydrophobicContact CG-CD2 4.39Å; L273-C418 HydrophobicContact CD1-CB 3.97Å; L273-A427 HydrophobicContact CB-CB 4.35Å; L273-A427 HydrophobicContact CD1-CB 4.12Å
274C66.4Low61.5Low12 Ų1265.1 Ų65.18%0.08136%0.357CS..EExtended strand (participates in β ladder)trans-134.8119.5-176.7-61.20000111N271 F272 N284 C285N271-C274 PolarHBondContact O-N 3.21Å; N271-C274 VanDerWaalsContact O-O 3.09Å; F272-C274 PolarHBondContact O-N 3.06Å; C274-N284 WeakPolarHBondContact CA-O 3.49Å; C274-C285 HydrophobicContact CB-CB 4.09Å; C274-C285 WeakPolarHBondContact CB-SG 3.49Å; C274-C285 WeakPolarHBondContact SG-CB 3.25Å; C274-C285 CovalentContact SG-SG 2.03Å; C274-C285 PolarHBondContact SG-SG 2.84Å
275V68.1Low61.6Low61 Ų6165.2 Ų65.237%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-115.4136.8176.1176.20000110.5W244 S277 R283 N284W244-V275 HydrophobicContact CD2-CG2 3.51Å; W244-V275 HydrophobicContact CE3-CG2 3.88Å; W244-V275 HydrophobicContact CG-CG2 4.07Å; W244-V275 HydrophobicContact CH2-CB 3.88Å; W244-V275 HydrophobicContact CH2-CG2 3.74Å; W244-V275 HydrophobicContact CZ2-CB 3.56Å; W244-V275 HydrophobicContact CZ2-CG2 3.44Å; W244-V275 VanDerWaalsContact CZ2-CG2 3.44Å; W244-V275 HydrophobicContact CZ3-CG2 3.96Å; V275-S277 PolarHBondContact O-N 2.85Å; V275-R283 CarbonylContact O-C 3.34Å; V275-R283 WeakPolarHBondContact O-CA 2.91Å; V275-N284 PolarHBondContact N-O 3.45Å; V275-N284 PolarHBondContact O-N 3.49Å
276E62.9Low61.7Low109 Ų10965.3 Ų65.351%0.50936%0.362SS..EExtended strand (participates in β ladder)trans-66.4120.6171.1-75.7178.2-167.200110.3N278 R283E276-N278 PolarHBondContact O-N 3.43Å; E276-R283 HydrophobicContact CB-CG 4.21Å; E276-R283 HydrophobicContact CG-CG 3.22Å; E276-R283 VanDerWaalsContact CG-NE 3.33Å; E276-R283 IonicContact OE1-CZ 2.7Å; E276-R283 IonicContact OE1-NE 3.87Å; E276-R283 PolarHBondContact OE1-NE 3.42Å; E276-R283 IonicContact OE1-NH2 2.67Å; E276-R283 PolarHBondContact OE1-NH2 3.22Å
277S58.2Low61.9Low28 Ų2865.6 Ų65.620%0.19637%0.366CS..  trans-68.9117.7168.9173.90000109.5V275 V279 T280 G281 E282V275-S277 PolarHBondContact O-N 2.85Å; S277-V279 PolarHBondContact O-N 3.43Å; S277-V279 PolarHBondContact OG-N 3.01Å; S277-T280 WeakPolarHBondContact CB-OG1 3.42Å; S277-T280 PolarHBondContact O-N 3.33Å; S277-T280 PolarHBondContact OG-N 2.55Å; S277-T280 PolarHBondContact OG-OG1 3.47Å; S277-T280 VanDerWaalsContact OG-OG1 3.1Å; S277-G281 WeakPolarHBondContact O-CA 3.27Å; S277-G281 PolarHBondContact O-N 2.94Å; S277-E282 VanDerWaalsContact CB-O 3.28Å; S277-E282 WeakPolarHBondContact CB-O 3.22Å; S277-E282 PolarHBondContact N-O 3.31Å
278N59.5Low61.9Low170 Ų17066.5 Ų66.591%0.90937%0.368SS*.THydrogen-bonded Turntrans-58.9-17.6172.5-76.4-9.1000113.3E276E276-N278 PolarHBondContact O-N 3.43Å
279V58Low62Low135 Ų13570.6 Ų70.682%0.81839%0.388SS*.THydrogen-bonded Turntrans-95.3-35.1-173-174.90000112.5S277S277-V279 PolarHBondContact O-N 3.43Å; S277-V279 PolarHBondContact OG-N 3.01Å
280T57.3Low61.7Low85 Ų8570 Ų7052%0.52138%0.384SS..THydrogen-bonded Turntrans-117.4-10.2-174.6510000113.8S277 E282S277-T280 WeakPolarHBondContact CB-OG1 3.42Å; S277-T280 PolarHBondContact O-N 3.33Å; S277-T280 PolarHBondContact OG-N 2.55Å; S277-T280 PolarHBondContact OG-OG1 3.47Å; S277-T280 VanDerWaalsContact OG-OG1 3.1Å; T280-E282 PolarHBondContact O-N 3.18Å; T280-E282 VanDerWaalsContact O-N 3.11Å
281G55.8Low61.4Low63 Ų6370.3 Ų70.365%0.64939%0.386SS*.SBendtrans67.7-0.5-172.600000114S277S277-G281 WeakPolarHBondContact O-CA 3.27Å; S277-G281 PolarHBondContact O-N 2.94Å
282E56Low61.4Low126 Ų12671 Ų7159%0.58939%0.39SS*.  trans-82.4130175.2-69178.5154.800109.9S277 T280 N284S277-E282 VanDerWaalsContact CB-O 3.28Å; S277-E282 WeakPolarHBondContact CB-O 3.22Å; S277-E282 PolarHBondContact N-O 3.31Å; T280-E282 PolarHBondContact O-N 3.18Å; T280-E282 VanDerWaalsContact O-N 3.11Å; E282-N284 PolarHBondContact O-N 3.38Å
283R57.8Low61.3Low105 Ų10575 Ų7540%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-73.5112.7168-81.7-160.5-167.5-178.3-10109.6V275 E276V275-R283 CarbonylContact O-C 3.34Å; V275-R283 WeakPolarHBondContact O-CA 2.91Å; E276-R283 HydrophobicContact CB-CG 4.21Å; E276-R283 HydrophobicContact CG-CG 3.22Å; E276-R283 VanDerWaalsContact CG-NE 3.33Å; E276-R283 IonicContact OE1-CZ 2.7Å; E276-R283 IonicContact OE1-NE 3.87Å; E276-R283 PolarHBondContact OE1-NE 3.42Å; E276-R283 IonicContact OE1-NH2 2.67Å; E276-R283 PolarHBondContact OE1-NH2 3.22Å
284N66.3Low61.3Low92 Ų9275.2 Ų75.249%0.49241%0.409SS..EExtended strand (participates in β ladder)trans-85.6119.6173.8-73.4-19.5000109.2W244 C274 V275 E282W244-N284 WeakPolarHBondContact CH2-O 3Å; C274-N284 WeakPolarHBondContact CA-O 3.49Å; V275-N284 PolarHBondContact N-O 3.45Å; V275-N284 PolarHBondContact O-N 3.49Å; E282-N284 PolarHBondContact O-N 3.38Å
285C68Low61.6Low25 Ų2575.5 Ų75.517%0.16941%0.408CS..EExtended strand (participates in β ladder)trans-105.7144.7176.7-570000112.3L273 C274 T287 T424L273-C285 CarbonylContact O-C 3.54Å; L273-C285 WeakPolarHBondContact O-CA 3.22Å; C274-C285 HydrophobicContact CB-CB 4.09Å; C274-C285 WeakPolarHBondContact CB-SG 3.49Å; C274-C285 WeakPolarHBondContact SG-CB 3.25Å; C274-C285 CovalentContact SG-SG 2.03Å; C274-C285 PolarHBondContact SG-SG 2.84Å; C285-T287 PolarHBondContact O-N 3.12Å; C285-T424 PolarHBondContact SG-O 3.21Å
286L68.3Low61.7Low22 Ų2272.8 Ų72.812%0.11539%0.392CS..  trans-72.2117.8171.9-67.8167.2000110.1W244 L247 T248 T251 L273 L291 G420W244-L286 HydrophobicContact CE3-CD1 3.84Å; W244-L286 HydrophobicContact CE3-CG 4.31Å; W244-L286 HydrophobicContact CH2-CG 4.33Å; W244-L286 HydrophobicContact CZ3-CD1 3.78Å; W244-L286 HydrophobicContact CZ3-CG 3.73Å; L247-L286 HydrophobicContact CB-CD1 3.56Å; L247-L286 HydrophobicContact CD1-CD1 3.97Å; L247-L286 HydrophobicContact CG-CD1 4.43Å; T248-L286 HydrophobicContact CG2-CD2 4.34Å; T251-L286 HydrophobicContact CG2-CD2 4.2Å; L273-L286 HydrophobicContact CD2-CD1 4.46Å; L273-L286 PolarHBondContact O-N 3.42Å; L286-L291 HydrophobicContact CB-CD1 4.2Å; L286-L291 HydrophobicContact CD1-CD1 4.44Å; L286-G420 VanDerWaalsContact O-CA 3.25Å; L286-G420 WeakPolarHBondContact O-CA 3.5Å; L286-G420 PolarHBondContact O-N 2.78Å; L286-G420 VanDerWaalsContact O-N 3.07Å
287T63.4Low62Low47 Ų4768 Ų6829%0.28837%0.37SS..  trans-99.9157.4-178.759.70000112.4C285 N289C285-T287 PolarHBondContact O-N 3.12Å; T287-N289 PolarHBondContact O-N 3.21Å
288Y60Low62.6Low71 Ų7170.2 Ų70.228%0.27838%0.376SS..G310 helixtrans-53-25.4-177.7-87.4-67.1000115.5N290 L291 Q417 F419Y288-N290 PolarHBondContact O-N 3.4Å; Y288-L291 WeakPolarHBondContact CD1-O 3.49Å; Y288-L291 CarbonylContact O-C 3.5Å; Y288-L291 PolarHBondContact O-N 3.26Å; Y288-L291 VanDerWaalsContact O-N 3.08Å; Y288-Q417 WeakPolarHBondContact OH-CG 3.03Å; Y288-Q417 PolarHBondContact OH-NE2 2.94Å; Y288-F419 HydrophobicContact CD2-CB 3.7Å; Y288-F419 HydrophobicContact CD2-CD1 4.46Å; Y288-F419 AromaticContact CD2-CD2 3.98Å; Y288-F419 HydrophobicContact CD2-CD2 3.98Å; Y288-F419 AromaticContact CD2-CG 3.84Å; Y288-F419 HydrophobicContact CD2-CG 3.84Å; Y288-F419 HydrophobicContact CE1-CB 4.3Å; Y288-F419 HydrophobicContact CE2-CB 3.2Å; Y288-F419 AromaticContact CE2-CD1 3.35Å; Y288-F419 HydrophobicContact CE2-CD1 3.35Å; Y288-F419 AromaticContact CE2-CD2 3.59Å; Y288-F419 HydrophobicContact CE2-CD2 3.59Å; Y288-F419 AromaticContact CE2-CE1 3.96Å; Y288-F419 HydrophobicContact CE2-CE1 3.96Å; Y288-F419 HydrophobicContact CE2-CE2 4.19Å; Y288-F419 AromaticContact CE2-CG 3.1Å; Y288-F419 HydrophobicContact CE2-CG 3.1Å; Y288-F419 HydrophobicContact CE2-CZ 4.32Å; Y288-F419 HydrophobicContact CG-CB 4.44Å; Y288-F419 VanDerWaalsContact CZ-CB 3.5Å; Y288-F419 AromaticContact CZ-CD1 3.67Å; Y288-F419 AromaticContact CZ-CG 3.71Å; Y288-F419 WeakPolarHBondContact OH-CD1 2.83Å
289N56.3Low63.2Low149 Ų14963.2 Ų63.280%0.79734%0.339SS*.G310 helixtrans-56.3-22.5-171.4-73.9-3000113.4T287T287-N289 PolarHBondContact O-N 3.21Å
290N53.2Low63.8Low82 Ų8258.1 Ų58.144%0.43931%0.307SS..G310 helixtrans-117-9.3177.8-64.1-11.4000114.7T251 Y288T251-N290 HydrophobicContact CG2-CB 3.82Å; Y288-N290 PolarHBondContact O-N 3.4Å
291L56.8Low64.2Low9 Ų956.6 Ų56.65%0.04730%0.298CS..  trans-127101.2-176.7-68.6168.6000108.1L247 T251 L286 Y288 K293L247-L291 HydrophobicContact CD2-CD1 4.24Å; L247-L291 HydrophobicContact CD2-CD2 4.07Å; T251-L291 HydrophobicContact CG2-CD1 4.04Å; T251-L291 HydrophobicContact CG2-CD2 4.01Å; T251-L291 HydrophobicContact CG2-CG 3.79Å; L286-L291 HydrophobicContact CB-CD1 4.2Å; L286-L291 HydrophobicContact CD1-CD1 4.44Å; Y288-L291 WeakPolarHBondContact CD1-O 3.49Å; Y288-L291 CarbonylContact O-C 3.5Å; Y288-L291 PolarHBondContact O-N 3.26Å; Y288-L291 VanDerWaalsContact O-N 3.08Å; L291-K293 PolarHBondContact O-N 3.4Å
292N60.1Low64.7Low88 Ų8857.6 Ų57.647%0.47130%0.3SS..SBendtrans-55.6-42.8-169.4-81.8-38.7000113.1Q259Q259-N292 HydrophobicContact CB-CB 4.31Å; Q259-N292 CarbonylContact O-C 3.38Å; Q259-N292 WeakPolarHBondContact O-CB 3.2Å
293K64.1Low65.2Low95 Ų9553.3 Ų53.341%0.41329%0.29SS..EExtended strand (participates in β ladder)trans-156.1138.9167.8-57.3-173-177.2-179.90112.3Q259 N260 W261 L291 Y295Q259-K293 PolarHBondContact O-N 3.16Å; N260-K293 WeakPolarHBondContact CA-O 3.24Å; N260-K293 WeakPolarHBondContact OD1-CB 3.21Å; W261-K293 PolarHBondContact N-O 3.34Å; L291-K293 PolarHBondContact O-N 3.4Å; K293-Y295 HydrophobicContact CB-CD2 4.45Å; K293-Y295 HydrophobicContact CB-CE2 3.72Å; K293-Y295 HydrophobicContact CD-CE2 4.3Å; K293-Y295 VanDerWaalsContact CD-OH 3.23Å; K293-Y295 WeakPolarHBondContact CD-OH 3.38Å
294L71.9Confident66Low6 Ų648.9 Ų48.93%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-124.6125.8176.1-174.6132.3000110.6L247 W261 I263 F272 L273 C418L247-L294 HydrophobicContact CD1-CD1 3.79Å; L247-L294 HydrophobicContact CD2-CD1 4.17Å; W261-L294 HydrophobicContact CB-CD1 4.19Å; W261-L294 HydrophobicContact CB-CG 4.42Å; W261-L294 WeakPolarHBondContact O-CA 3.33Å; I263-L294 HydrophobicContact CD1-CD1 3.34Å; I263-L294 HydrophobicContact CD1-CD2 4.21Å; I263-L294 HydrophobicContact CD1-CG 3.79Å; F272-L294 HydrophobicContact CZ-CD2 4.48Å; L273-L294 HydrophobicContact CD1-CD2 3.9Å; L273-L294 HydrophobicContact CD2-CD1 3.96Å; L273-L294 HydrophobicContact CD2-CD2 3.91Å; L273-L294 HydrophobicContact CG-CD2 4.39Å; L294-C418 HydrophobicContact CD2-CB 3.97Å; L294-C418 PolarHBondContact O-N 2.98Å
295Y70.7Confident66.8Low17 Ų1746.9 Ų46.97%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-118.4125.3-177.2-63-80.2000110.3I171 W261 I262 I263 K293 L415 Q416 Q417 V432I171-Y295 HydrophobicContact CD1-CD1 4.48Å; I171-Y295 HydrophobicContact CD1-CD2 3.7Å; I171-Y295 HydrophobicContact CD1-CE1 4.49Å; I171-Y295 HydrophobicContact CD1-CE2 3.7Å; I171-Y295 HydrophobicContact CD1-CG 4.09Å; I171-Y295 HydrophobicContact CG2-CE2 4.02Å; W261-Y295 PolarHBondContact O-N 3.35Å; I262-Y295 HydrophobicContact CG1-CD2 4.33Å; I263-Y295 PolarHBondContact N-O 2.73Å; K293-Y295 HydrophobicContact CB-CD2 4.45Å; K293-Y295 HydrophobicContact CB-CE2 3.72Å; K293-Y295 HydrophobicContact CD-CE2 4.3Å; K293-Y295 VanDerWaalsContact CD-OH 3.23Å; K293-Y295 WeakPolarHBondContact CD-OH 3.38Å; Y295-L415 HydrophobicContact CD1-CD1 3.9Å; Y295-L415 HydrophobicContact CD1-CD2 4.01Å; Y295-L415 HydrophobicContact CD1-CG 4.08Å; Y295-L415 HydrophobicContact CE1-CD2 4.28Å; Y295-L415 HydrophobicContact CG-CD1 4.18Å; Y295-Q416 CarbonylContact C-O 3.57Å; Y295-Q416 WeakPolarHBondContact CA-O 3.28Å; Y295-Q417 HydrophobicContact CD1-CB 4.22Å; Y295-Q417 HydrophobicContact CE1-CB 4.25Å; Y295-Q417 HydrophobicContact CE1-CG 4.45Å; Y295-V432 HydrophobicContact CD1-CG2 4.38Å; Y295-V432 HydrophobicContact CE1-CG2 4.3Å
296C71.8Confident67.4Low5 Ų549.5 Ų49.53%0.03427%0.274CS..EExtended strand (participates in β ladder)trans-99.1138.1170.7-64.20000109.5I263 C270 Q416I263-C296 WeakPolarHBondContact O-CA 3.34Å; C270-C296 WeakPolarHBondContact CB-SG 3.38Å; C270-C296 WeakPolarHBondContact SG-CB 2.92Å; C270-C296 CovalentContact SG-SG 2.06Å; C270-C296 PolarHBondContact SG-SG 2.89Å; C296-Q416 PolarHBondContact N-O 2.79Å; C296-Q416 PolarHBondContact O-N 2.87Å
297L69.4Low68.2Low8 Ų856.1 Ų56.14%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-110.6131.1179.1-89.5151.8000112.1L164 F167 I262 I263 Y264 F413 L415L164-L297 HydrophobicContact CD2-CB 4.17Å; L164-L297 HydrophobicContact CD2-CD1 3.04Å; L164-L297 HydrophobicContact CD2-CG 4.18Å; L164-L297 HydrophobicContact CG-CD1 4.07Å; F167-L297 HydrophobicContact CD1-CD1 3.8Å; F167-L297 HydrophobicContact CE1-CD1 4.31Å; I262-L297 HydrophobicContact CG2-CD1 3.56Å; I263-L297 PolarHBondContact O-N 2.97Å; Y264-L297 HydrophobicContact CD2-CB 4.34Å; Y264-L297 WeakPolarHBondContact CD2-O 3.43Å; L297-F413 HydrophobicContact CD2-CB 3.88Å; L297-L415 HydrophobicContact CD2-CD1 4.3Å; L297-L415 HydrophobicContact CG-CD1 4.2Å
298K70.5Confident69.2Low75 Ų7554.9 Ų54.933%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-121.1142.4-178-176.7-171.4176.9-179.50110.8V268 D300 F413 H414V268-K298 HydrophobicContact CG2-CD 4.01Å; K298-D300 PolarHBondContact O-N 3.3Å; K298-F413 CarbonylContact O-C 3.56Å; K298-F413 WeakPolarHBondContact O-CA 3.1Å; K298-H414 HydrophobicContact CB-CB 4.47Å; K298-H414 PolarHBondContact N-O 3.32Å; K298-H414 PolarHBondContact O-N 2.8Å
299V71Confident70.3Confident23 Ų2352 Ų5214%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-70.3125.3169.1-1780000109.4F328 F413V299-F328 HydrophobicContact CG2-CD2 3.87Å; V299-F328 HydrophobicContact CG2-CE2 4.42Å; V299-F413 HydrophobicContact CG2-CD1 4.12Å; V299-F413 HydrophobicContact CG2-CE1 3.75Å
300D70.7Confident71.7Confident28 Ų2850.7 Ų50.715%0.1527%0.271CS..  trans-71.9132.3172.7-177.816.3000110.5K298 A302 V412 H414K298-D300 PolarHBondContact O-N 3.3Å; D300-A302 VanDerWaalsContact OD1-CB 3.28Å; D300-A302 WeakPolarHBondContact OD1-CB 3.5Å; D300-A302 PolarHBondContact OD1-N 3.42Å; D300-V412 HydrophobicContact CB-CB 3.75Å; D300-V412 HydrophobicContact CB-CG1 3.66Å; D300-V412 VanDerWaalsContact CB-O 3.31Å; D300-V412 WeakPolarHBondContact CB-O 3.37Å; D300-V412 PolarHBondContact N-O 3.36Å; D300-V412 WeakPolarHBondContact OD2-CG1 3.45Å; D300-H414 WeakPolarHBondContact CB-CD2 3.02Å; D300-H414 IonicContact OD1-CD2 3.35Å; D300-H414 PolarHBondContact OD1-CD2 3.3Å; D300-H414 IonicContact OD1-NE2 3.06Å; D300-H414 PolarHBondContact OD1-NE2 2.69Å; D300-H414 VanDerWaalsContact OD1-NE2 3.17Å; D300-H414 IonicContact OD2-NE2 2.79Å
301T66.7Low73.3Confident52 Ų5249.3 Ų49.332%0.31926%0.263SS..  trans-107.95.3179.657.90000112.7G303 T304 Q306 L309T301-G303 VanDerWaalsContact C-N 3.27Å; T301-G303 PolarHBondContact O-N 2.87Å; T301-T304 HydrophobicContact CG2-CG2 4.41Å; T301-T304 PolarHBondContact O-N 3.26Å; T301-T304 PolarHBondContact O-OG1 3.09Å; T301-Q306 PolarHBondContact O-NE2 2.86Å; T301-L309 HydrophobicContact CG2-CD2 4.01Å
302A65.9Low74.7Confident84 Ų8448.9 Ų48.969%0.69426%0.261SS*.THydrogen-bonded Turntrans-61.3-35-178.900000112.9D300D300-A302 VanDerWaalsContact OD1-CB 3.28Å; D300-A302 WeakPolarHBondContact OD1-CB 3.5Å; D300-A302 PolarHBondContact OD1-N 3.42Å
303G66.9Low75.9Confident37 Ų3747.9 Ų47.938%0.38125%0.253SS..THydrogen-bonded Turntrans-91.69177.900000115.5T301T301-G303 VanDerWaalsContact C-N 3.27Å; T301-G303 PolarHBondContact O-N 2.87Å
304T74.5Confident77Confident12 Ų1249.7 Ų49.77%0.07427%0.267CS..SBendtrans-95.2156.8-171.567.90000113.2T301 Q306 G395 T396T301-T304 HydrophobicContact CG2-CG2 4.41Å; T301-T304 PolarHBondContact O-N 3.26Å; T301-T304 PolarHBondContact O-OG1 3.09Å; T304-Q306 PolarHBondContact O-N 3.32Å; T304-Q306 PolarHBondContact OG1-NE2 3.05Å; T304-Q306 VanDerWaalsContact OG1-NE2 3.08Å; T304-G395 VanDerWaalsContact CA-O 3.26Å; T304-G395 WeakPolarHBondContact CA-O 3.32Å; T304-G395 WeakPolarHBondContact CB-O 3.45Å; T304-T396 WeakPolarHBondContact CG2-O 3.22Å
305D81.6Confident77.7Confident49 Ų4953.6 Ų53.626%0.26228%0.282SS..  trans-71.599.6165.6-171.2-24.3000110.1Q307 E308 L309 G395D305-Q307 PolarHBondContact O-N 2.87Å; D305-Q307 WeakPolarHBondContact OD1-CB 3Å; D305-Q307 PolarHBondContact OD1-N 2.77Å; D305-E308 HydrophobicContact CB-CB 4.22Å; D305-E308 HydrophobicContact CB-CG 4.44Å; D305-E308 PolarHBondContact O-N 2.89Å; D305-E308 PolarHBondContact OD1-N 3.03Å; D305-L309 PolarHBondContact O-N 3.36Å; D305-G395 PolarHBondContact N-O 2.67Å
306Q81.8Confident78.4Confident81 Ų8153 Ų5338%0.37928%0.28SS..Hα-helixtrans-64.9-25.8-178.7-67.8-67.3-3500113.5T301 T304 K310T301-Q306 PolarHBondContact O-NE2 2.86Å; T304-Q306 PolarHBondContact O-N 3.32Å; T304-Q306 PolarHBondContact OG1-NE2 3.05Å; T304-Q306 VanDerWaalsContact OG1-NE2 3.08Å; Q306-K310 VanDerWaalsContact O-CG 3.27Å; Q306-K310 WeakPolarHBondContact O-CG 3.45Å; Q306-K310 PolarHBondContact O-N 2.89Å
307Q83.9Confident79Confident161 Ų16154.4 Ų54.475%0.75230%0.295SS*.Hα-helixtrans-74-43.4177.5-63.8-176.9-4.500110.4D305 M311D305-Q307 PolarHBondContact O-N 2.87Å; D305-Q307 WeakPolarHBondContact OD1-CB 3Å; D305-Q307 PolarHBondContact OD1-N 2.77Å; Q307-M311 PolarHBondContact O-N 3.27Å
308E84.6Confident79.4Confident20 Ų2065.3 Ų65.39%0.09334%0.336CS..Hα-helixtrans-68.5-41.2176.5-71.9-155.4177.900112.6D305 K310 M311 I312 Y334 K338 T396D305-E308 HydrophobicContact CB-CB 4.22Å; D305-E308 HydrophobicContact CB-CG 4.44Å; D305-E308 PolarHBondContact O-N 2.89Å; D305-E308 PolarHBondContact OD1-N 3.03Å; E308-K310 VanDerWaalsContact C-N 3.34Å; E308-K310 PolarHBondContact O-N 3.09Å; E308-M311 HydrophobicContact CG-CE 4.34Å; E308-M311 WeakPolarHBondContact O-CB 3.44Å; E308-M311 PolarHBondContact O-N 3.06Å; E308-M311 VanDerWaalsContact O-N 3.14Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 2.9Å; E308-I312 PolarHBondContact O-N 2.98Å; E308-Y334 VanDerWaalsContact CD-OH 3.31Å; E308-Y334 VanDerWaalsContact OE2-CE1 3.29Å; E308-Y334 WeakPolarHBondContact OE2-CE1 3.37Å; E308-Y334 PolarHBondContact OE2-OH 2.91Å; E308-K338 IonicContact OE1-NZ 3.41Å; E308-K338 PolarHBondContact OE1-NZ 3.39Å; E308-K338 IonicContact OE2-NZ 3.71Å; E308-K338 PolarHBondContact OE2-NZ 3.37Å; E308-T396 HydrophobicContact CB-CG2 4.36Å
309L84.5Confident79.9Confident11 Ų1165.1 Ų65.16%0.05834%0.338CS..Hα-helixtrans-58.3-46.3177.3-177.861.5000111.6T301 D305 M311 I312 Q313 W320 L331T301-L309 HydrophobicContact CG2-CD2 4.01Å; D305-L309 PolarHBondContact O-N 3.36Å; L309-M311 VanDerWaalsContact C-N 3.29Å; L309-M311 PolarHBondContact O-N 3.45Å; L309-I312 PolarHBondContact O-N 2.81Å; L309-Q313 WeakPolarHBondContact O-CB 3.43Å; L309-Q313 WeakPolarHBondContact O-CG 3.23Å; L309-Q313 PolarHBondContact O-N 3.4Å; L309-W320 HydrophobicContact CD1-CH2 4.37Å; L309-W320 HydrophobicContact CD1-CZ2 4.41Å; L309-L331 HydrophobicContact CD1-CD1 4.11Å; L309-L331 HydrophobicContact CD1-CD2 3.95Å
310K85.8Confident80.4Confident122 Ų12264.8 Ų64.853%0.5333%0.334SS..Hα-helixtrans-62.8-35.5177-74.6175.7-177.5-179.80112.8Q306 E308 N314Q306-K310 VanDerWaalsContact O-CG 3.27Å; Q306-K310 WeakPolarHBondContact O-CG 3.45Å; Q306-K310 PolarHBondContact O-N 2.89Å; E308-K310 VanDerWaalsContact C-N 3.34Å; E308-K310 PolarHBondContact O-N 3.09Å; K310-N314 WeakPolarHBondContact O-CB 3.46Å; K310-N314 PolarHBondContact O-N 3.42Å; K310-N314 PolarHBondContact O-ND2 2.01Å
311M86.2Confident80.6Confident53 Ų5369.3 Ų69.326%0.26136%0.358SS..Hα-helixtrans-65.9-46.5176.6-177.5-127-58.200111.3L43 R47 Q307 E308 L309 Q313 N314 Y315L43-M311 HydrophobicContact CD1-SD 3.65Å; L43-M311 HydrophobicContact CD2-SD 4Å; L43-M311 HydrophobicContact CG-SD 3.99Å; R47-M311 HydrophobicContact CG-CE 4.19Å; Q307-M311 PolarHBondContact O-N 3.27Å; E308-M311 HydrophobicContact CG-CE 4.34Å; E308-M311 WeakPolarHBondContact O-CB 3.44Å; E308-M311 PolarHBondContact O-N 3.06Å; E308-M311 VanDerWaalsContact O-N 3.14Å; L309-M311 VanDerWaalsContact C-N 3.29Å; L309-M311 PolarHBondContact O-N 3.45Å; M311-Q313 VanDerWaalsContact C-N 3.32Å; M311-Q313 PolarHBondContact O-N 2.85Å; M311-N314 PolarHBondContact O-N 3.44Å; M311-Y315 WeakPolarHBondContact O-CB 3.44Å; M311-Y315 PolarHBondContact O-N 3.04Å
312I86Confident80.9Confident0 Ų070.4 Ų70.40%036%0.362CS..Hα-helixtrans-62-43.6178-62.1162.1000110.4L43 E308 L309 N314 Y315 H316 W320 L331 Y334 T396L43-I312 HydrophobicContact CD2-CB 4.11Å; L43-I312 HydrophobicContact CD2-CG1 3.67Å; L43-I312 HydrophobicContact CD2-CG2 4.37Å; E308-I312 VanDerWaalsContact O-CG1 3.31Å; E308-I312 WeakPolarHBondContact O-CG1 2.9Å; E308-I312 PolarHBondContact O-N 2.98Å; L309-I312 PolarHBondContact O-N 2.81Å; I312-N314 VanDerWaalsContact C-N 3.35Å; I312-N314 PolarHBondContact O-N 3.18Å; I312-Y315 PolarHBondContact O-N 3.33Å; I312-H316 PolarHBondContact O-CD2 3.32Å; I312-H316 PolarHBondContact O-N 3.32Å; I312-W320 HydrophobicContact CG2-CE3 4.4Å; I312-W320 HydrophobicContact CG2-CH2 4.45Å; I312-W320 HydrophobicContact CG2-CZ3 3.75Å; I312-L331 HydrophobicContact CD1-CD2 3.79Å; I312-L331 HydrophobicContact CG2-CD2 4.05Å; I312-Y334 HydrophobicContact CD1-CD1 3.54Å; I312-Y334 HydrophobicContact CD1-CD2 4.11Å; I312-Y334 HydrophobicContact CD1-CE1 3.67Å; I312-Y334 HydrophobicContact CD1-CE2 4.22Å; I312-Y334 HydrophobicContact CD1-CG 3.77Å; I312-Y334 HydrophobicContact CG1-CD1 4.44Å; I312-Y334 HydrophobicContact CG1-CD2 4.16Å; I312-Y334 HydrophobicContact CG1-CE1 4.44Å; I312-Y334 HydrophobicContact CG1-CE2 4.17Å; I312-Y334 HydrophobicContact CG1-CG 4.3Å; I312-T396 HydrophobicContact CD1-CG2 3.38Å
313Q86.1Confident80.8Confident66 Ų6672 Ų7231%0.30836%0.355SS..Hα-helixtrans-54.6-49.8173.5-74.7172.7-9.300111.8L309 M311 Y315 G317 W320L309-Q313 WeakPolarHBondContact O-CB 3.43Å; L309-Q313 WeakPolarHBondContact O-CG 3.23Å; L309-Q313 PolarHBondContact O-N 3.4Å; M311-Q313 VanDerWaalsContact C-N 3.32Å; M311-Q313 PolarHBondContact O-N 2.85Å; Q313-Y315 VanDerWaalsContact C-N 3.34Å; Q313-Y315 PolarHBondContact O-N 2.93Å; Q313-G317 PolarHBondContact O-N 3.02Å; Q313-W320 HydrophobicContact CB-CD2 4.3Å; Q313-W320 HydrophobicContact CB-CG 4.37Å; Q313-W320 HydrophobicContact CG-CD2 3.76Å; Q313-W320 VanDerWaalsContact CG-CE2 3.41Å; Q313-W320 HydrophobicContact CG-CE3 4.37Å; Q313-W320 HydrophobicContact CG-CG 4.13Å; Q313-W320 HydrophobicContact CG-CH2 4.35Å; Q313-W320 HydrophobicContact CG-CZ2 3.74Å
314N86.7Confident80.6Confident133 Ų13374.3 Ų74.371%0.71137%0.365SS*.Hα-helixtrans-65.4-36.3178.9-71.4-19.5000112.7K310 M311 I312 G317K310-N314 WeakPolarHBondContact O-CB 3.46Å; K310-N314 PolarHBondContact O-N 3.42Å; K310-N314 PolarHBondContact O-ND2 2.01Å; M311-N314 PolarHBondContact O-N 3.44Å; I312-N314 VanDerWaalsContact C-N 3.35Å; I312-N314 PolarHBondContact O-N 3.18Å; N314-G317 PolarHBondContact O-N 3.49Å
315Y86.9Confident80.3Confident88 Ų8874 Ų7435%0.34536%0.363SS..Hα-helixtrans-69.3-40.8-179.4-167.7-100.1000112.4L39 L43 M311 I312 Q313 G317L39-Y315 HydrophobicContact CB-CD1 4.33Å; L39-Y315 HydrophobicContact CB-CE1 4Å; L39-Y315 HydrophobicContact CD2-CE1 4.08Å; L39-Y315 VanDerWaalsContact O-CE1 3.26Å; L39-Y315 WeakPolarHBondContact O-CE1 3.27Å; L43-Y315 HydrophobicContact CB-CD1 3.84Å; L43-Y315 HydrophobicContact CB-CE1 3.89Å; L43-Y315 HydrophobicContact CB-CG 4.25Å; L43-Y315 HydrophobicContact CD1-CD1 4.16Å; L43-Y315 HydrophobicContact CD1-CD2 3.6Å; L43-Y315 HydrophobicContact CD1-CE2 3.98Å; L43-Y315 HydrophobicContact CD1-CG 3.68Å; L43-Y315 HydrophobicContact CD2-CD1 4.01Å; L43-Y315 HydrophobicContact CD2-CG 3.88Å; L43-Y315 HydrophobicContact CG-CD1 4.23Å; L43-Y315 HydrophobicContact CG-CG 4.15Å; M311-Y315 WeakPolarHBondContact O-CB 3.44Å; M311-Y315 PolarHBondContact O-N 3.04Å; I312-Y315 PolarHBondContact O-N 3.33Å; Q313-Y315 VanDerWaalsContact C-N 3.34Å; Q313-Y315 PolarHBondContact O-N 2.93Å; Y315-G317 PolarHBondContact O-N 3.26Å
316H85.9Confident79.9Confident6 Ų674.1 Ų74.13%0.02836%0.361CS..Hα-helixtrans-71-22.6171.8-79.2-77.2000112.4I312 R318 I319 W320 F325I312-H316 PolarHBondContact O-CD2 3.32Å; I312-H316 PolarHBondContact O-N 3.32Å; H316-R318 PolarHBondContact O-N 3Å; H316-I319 WeakPolarHBondContact O-CB 3.4Å; H316-I319 PolarHBondContact O-N 2.85Å; H316-I319 VanDerWaalsContact O-N 3.1Å; H316-W320 HydrophobicContact CB-CB 3.91Å; H316-W320 HydrophobicContact CB-CE3 4.06Å; H316-W320 AromaticContact CD2-CE3 3.9Å; H316-F325 AromaticContact CE1-CE2 3.98Å; H316-F325 AromaticContact CE1-CZ 3.6Å; H316-F325 AromaticContact CG-CZ 3.86Å; H316-F325 AromaticContact ND1-CE2 3.79Å; H316-F325 AromaticContact ND1-CZ 3.5Å; H316-F325 WeakPolarHBondContact ND1-CZ 3.32Å
317G83.2Confident79.7Confident34 Ų3471.9 Ų71.935%0.35135%0.351SS..G310 helixtrans58.8-122.9173.500000112.2Q313 N314 Y315 I319 W320Q313-G317 PolarHBondContact O-N 3.02Å; N314-G317 PolarHBondContact O-N 3.49Å; Y315-G317 PolarHBondContact O-N 3.26Å; G317-I319 VanDerWaalsContact C-N 3.25Å; G317-I319 PolarHBondContact O-N 3.35Å; G317-W320 PolarHBondContact O-N 3.14Å
318R78.5Confident79.2Confident236 Ų23664.8 Ų64.889%0.89132%0.318SS*.G310 helixtrans-65.6-26.1180-68.7-175.1179.9-179.2-0.1113.5H316 W320H316-R318 PolarHBondContact O-N 3Å; R318-W320 VanDerWaalsContact C-N 3.3Å; R318-W320 PolarHBondContact O-N 2.82Å
319I81Confident78.8Confident72 Ų7265.5 Ų65.537%0.36932%0.322SS..G310 helixtrans-69.5-32.7-177.4-56.2170.2000110.5L39 H316 G317 N321 N322 F325L39-I319 HydrophobicContact CD1-CD1 4.03Å; H316-I319 WeakPolarHBondContact O-CB 3.4Å; H316-I319 PolarHBondContact O-N 2.85Å; H316-I319 VanDerWaalsContact O-N 3.1Å; G317-I319 VanDerWaalsContact C-N 3.25Å; G317-I319 PolarHBondContact O-N 3.35Å; I319-N321 PolarHBondContact O-N 3.45Å; I319-N322 WeakPolarHBondContact O-CB 3.21Å; I319-N322 PolarHBondContact O-N 2.97Å; I319-F325 HydrophobicContact CG2-CB 4.46Å; I319-F325 HydrophobicContact CG2-CD2 3.49Å; I319-F325 VanDerWaalsContact CG2-CD2 3.49Å; I319-F325 HydrophobicContact CG2-CE2 3.82Å; I319-F325 HydrophobicContact CG2-CG 4.06Å; I319-F325 VanDerWaalsContact O-CB 3.32Å; I319-F325 WeakPolarHBondContact O-CB 3.01Å; I319-F325 WeakPolarHBondContact O-CG 2.94Å
320W81.4Confident78.7Confident16 Ų1665 Ų656%0.06132%0.319CS..THydrogen-bonded Turntrans-58.1-37.2-179-173.8-88.2000113L309 I312 Q313 H316 G317 R318 N322 F325 Q327 L331L309-W320 HydrophobicContact CD1-CH2 4.37Å; L309-W320 HydrophobicContact CD1-CZ2 4.41Å; I312-W320 HydrophobicContact CG2-CE3 4.4Å; I312-W320 HydrophobicContact CG2-CH2 4.45Å; I312-W320 HydrophobicContact CG2-CZ3 3.75Å; Q313-W320 HydrophobicContact CB-CD2 4.3Å; Q313-W320 HydrophobicContact CB-CG 4.37Å; Q313-W320 HydrophobicContact CG-CD2 3.76Å; Q313-W320 VanDerWaalsContact CG-CE2 3.41Å; Q313-W320 HydrophobicContact CG-CE3 4.37Å; Q313-W320 HydrophobicContact CG-CG 4.13Å; Q313-W320 HydrophobicContact CG-CH2 4.35Å; Q313-W320 HydrophobicContact CG-CZ2 3.74Å; H316-W320 HydrophobicContact CB-CB 3.91Å; H316-W320 HydrophobicContact CB-CE3 4.06Å; H316-W320 AromaticContact CD2-CE3 3.9Å; G317-W320 PolarHBondContact O-N 3.14Å; R318-W320 VanDerWaalsContact C-N 3.3Å; R318-W320 PolarHBondContact O-N 2.82Å; W320-N322 VanDerWaalsContact C-N 3.31Å; W320-F325 HydrophobicContact CD2-CE1 4.26Å; W320-F325 AromaticContact CE3-CE1 3.63Å; W320-F325 HydrophobicContact CE3-CE1 3.63Å; W320-F325 HydrophobicContact CE3-CZ 4.31Å; W320-F325 AromaticContact CZ3-CE1 3.98Å; W320-F325 HydrophobicContact CZ3-CE1 3.98Å; W320-Q327 HydrophobicContact CH2-CB 4.21Å; W320-Q327 HydrophobicContact CH2-CG 4.34Å; W320-Q327 HydrophobicContact CZ2-CB 4.24Å; W320-Q327 HydrophobicContact CZ2-CG 4.05Å; W320-Q327 PolarHBondContact O-NE2 3.23Å; W320-Q327 VanDerWaalsContact O-NE2 3.16Å; W320-L331 HydrophobicContact CH2-CD1 4.25Å; W320-L331 HydrophobicContact CH2-CD2 3.84Å; W320-L331 HydrophobicContact CH2-CG 3.98Å; W320-L331 HydrophobicContact CZ3-CD2 4.32Å
321N74.5Confident78.6Confident123 Ų12359.9 Ų59.966%0.65830%0.297SS*.THydrogen-bonded Turntrans-89.77.3-178.4-64.3-26.2000113.1I319I319-N321 PolarHBondContact O-N 3.45Å
322N72.1Confident78.2Confident75 Ų7557.4 Ų57.440%0.40129%0.285SS..  trans-73140.1176.1-175.610.7000110.1H267 I319 W320 S324 F325H267-N322 PolarHBondContact NE2-O 3.35Å; H267-N322 VanDerWaalsContact NE2-O 3.08Å; I319-N322 WeakPolarHBondContact O-CB 3.21Å; I319-N322 PolarHBondContact O-N 2.97Å; W320-N322 VanDerWaalsContact C-N 3.31Å; N322-S324 PolarHBondContact ND2-OG 3.01Å; N322-S324 PolarHBondContact O-N 3.28Å; N322-S324 PolarHBondContact OD1-N 3.15Å; N322-S324 PolarHBondContact OD1-OG 3.13Å; N322-F325 HydrophobicContact CB-CB 3.98Å; N322-F325 PolarHBondContact O-N 3.11Å
323E63.9Low78.2Confident117 Ų11757.4 Ų57.455%0.54729%0.285SS..THydrogen-bonded Turntrans-66.2-26.2178.6-65-174.4171.800112.4
324S64Low78.3Confident85 Ų8554.2 Ų54.259%0.59427%0.27SS*.THydrogen-bonded Turntrans-93.4-1.1179.564.80000115N322 K326N322-S324 PolarHBondContact ND2-OG 3.01Å; N322-S324 PolarHBondContact O-N 3.28Å; N322-S324 PolarHBondContact OD1-N 3.15Å; N322-S324 PolarHBondContact OD1-OG 3.13Å; S324-K326 PolarHBondContact O-N 3.03Å
325F68.1Low78.2Confident5 Ų547.9 Ų47.92%0.02224%0.237CC..  trans-84.8116-174.3175.3-105.8000111.3Y36 H316 I319 W320 N322 Q327 A330Y36-F325 AromaticContact CD2-CD2 3.8Å; Y36-F325 HydrophobicContact CD2-CD2 3.8Å; Y36-F325 AromaticContact CD2-CE2 3.25Å; Y36-F325 HydrophobicContact CD2-CE2 3.25Å; Y36-F325 HydrophobicContact CD2-CZ 4.17Å; Y36-F325 HydrophobicContact CE2-CD2 4.07Å; Y36-F325 AromaticContact CE2-CE2 3.74Å; Y36-F325 HydrophobicContact CE2-CE2 3.74Å; Y36-F325 HydrophobicContact CE2-CZ 4.48Å; Y36-F325 HydrophobicContact CG-CD2 4.12Å; Y36-F325 AromaticContact CG-CE2 3.85Å; Y36-F325 HydrophobicContact CG-CE2 3.85Å; H316-F325 AromaticContact CE1-CE2 3.98Å; H316-F325 AromaticContact CE1-CZ 3.6Å; H316-F325 AromaticContact CG-CZ 3.86Å; H316-F325 AromaticContact ND1-CE2 3.79Å; H316-F325 AromaticContact ND1-CZ 3.5Å; H316-F325 WeakPolarHBondContact ND1-CZ 3.32Å; I319-F325 HydrophobicContact CG2-CB 4.46Å; I319-F325 HydrophobicContact CG2-CD2 3.49Å; I319-F325 VanDerWaalsContact CG2-CD2 3.49Å; I319-F325 HydrophobicContact CG2-CE2 3.82Å; I319-F325 HydrophobicContact CG2-CG 4.06Å; I319-F325 VanDerWaalsContact O-CB 3.32Å; I319-F325 WeakPolarHBondContact O-CB 3.01Å; I319-F325 WeakPolarHBondContact O-CG 2.94Å; W320-F325 HydrophobicContact CD2-CE1 4.26Å; W320-F325 AromaticContact CE3-CE1 3.63Å; W320-F325 HydrophobicContact CE3-CE1 3.63Å; W320-F325 HydrophobicContact CE3-CZ 4.31Å; W320-F325 AromaticContact CZ3-CE1 3.98Å; W320-F325 HydrophobicContact CZ3-CE1 3.98Å; N322-F325 HydrophobicContact CB-CB 3.98Å; N322-F325 PolarHBondContact O-N 3.11Å; F325-Q327 HydrophobicContact CD1-CG 3.69Å; F325-Q327 HydrophobicContact CE1-CB 4.5Å; F325-Q327 HydrophobicContact CE1-CG 3.99Å; F325-Q327 PolarHBondContact O-N 3.12Å; F325-A330 HydrophobicContact CE1-CB 4.09Å; F325-A330 HydrophobicContact CE2-CB 4.36Å; F325-A330 HydrophobicContact CZ-CB 3.55Å
326K72.7Confident78.1Confident52 Ų5243.7 Ų43.723%0.22622%0.22CC..  trans-73.783.4-178-52.9-176.9177.9179.80112.4Y36 D185 E266 S324 F328 I329 A330Y36-K326 WeakPolarHBondContact OH-CB 3.36Å; D185-K326 IonicContact OD1-NZ 2.92Å; D185-K326 PolarHBondContact OD1-NZ 3.2Å; D185-K326 IonicContact OD2-NZ 3.87Å; D185-K326 PolarHBondContact OD2-NZ 3.31Å; E266-K326 VanDerWaalsContact OE1-CA 3.28Å; E266-K326 WeakPolarHBondContact OE1-CA 3.43Å; E266-K326 VanDerWaalsContact OE2-CA 3.25Å; E266-K326 WeakPolarHBondContact OE2-CA 3.33Å; S324-K326 PolarHBondContact O-N 3.03Å; K326-F328 PolarHBondContact O-N 3.27Å; K326-I329 HydrophobicContact CB-CB 4.16Å; K326-I329 HydrophobicContact CB-CD1 3.96Å; K326-I329 HydrophobicContact CB-CG1 4.02Å; K326-I329 HydrophobicContact CD-CD1 3.49Å; K326-I329 VanDerWaalsContact CD-CD1 3.49Å; K326-I329 HydrophobicContact CD-CG1 4.47Å; K326-I329 HydrophobicContact CG-CD1 4.33Å; K326-I329 PolarHBondContact O-N 3.37Å; K326-A330 PolarHBondContact O-N 3.14Å; K326-A330 VanDerWaalsContact O-N 3.08Å
327Q77.1Confident78.2Confident35 Ų3543.4 Ų43.416%0.16422%0.219CC..Hα-helixtrans-57.8-45-173.8-67.71788.100112.6E266 H267 W320 F325 I329 A330 L331E266-Q327 PolarHBondContact OE2-N 2.86Å; H267-Q327 PolarHBondContact CE1-NE2 2.95Å; W320-Q327 HydrophobicContact CH2-CB 4.21Å; W320-Q327 HydrophobicContact CH2-CG 4.34Å; W320-Q327 HydrophobicContact CZ2-CB 4.24Å; W320-Q327 HydrophobicContact CZ2-CG 4.05Å; W320-Q327 PolarHBondContact O-NE2 3.23Å; W320-Q327 VanDerWaalsContact O-NE2 3.16Å; F325-Q327 HydrophobicContact CD1-CG 3.69Å; F325-Q327 HydrophobicContact CE1-CB 4.5Å; F325-Q327 HydrophobicContact CE1-CG 3.99Å; F325-Q327 PolarHBondContact O-N 3.12Å; Q327-I329 VanDerWaalsContact C-N 3.3Å; Q327-I329 PolarHBondContact O-N 3.26Å; Q327-A330 PolarHBondContact O-N 3.48Å; Q327-L331 WeakPolarHBondContact O-CG 3.03Å; Q327-L331 PolarHBondContact O-N 2.95Å
328F75.1Confident78.5Confident12 Ų1243.3 Ų43.35%0.05321%0.209CC..Hα-helixtrans-63.9-37.2-178.3-178.6-96.1000112P156 V299 K326 L331 S332 T397P156-F328 VanDerWaalsContact O-CE1 3.22Å; P156-F328 WeakPolarHBondContact O-CE1 3.49Å; P156-F328 WeakPolarHBondContact O-CZ 3.24Å; V299-F328 HydrophobicContact CG2-CD2 3.87Å; V299-F328 HydrophobicContact CG2-CE2 4.42Å; K326-F328 PolarHBondContact O-N 3.27Å; F328-L331 PolarHBondContact O-N 2.74Å; F328-S332 WeakPolarHBondContact O-CB 3.47Å; F328-S332 PolarHBondContact O-N 3.42Å; F328-S332 PolarHBondContact O-OG 3.12Å; F328-T397 HydrophobicContact CD2-CG2 4.12Å; F328-T397 HydrophobicContact CE2-CG2 3.98Å
329I75.6Confident78.8Confident35 Ų3532.1 Ų32.118%0.17917%0.166CC..Hα-helixtrans-70.4-39.7176.6-54.5-173.3000110.5L37 K326 Q327 L331 S332 V333L37-I329 HydrophobicContact CD1-CG2 4.14Å; L37-I329 HydrophobicContact CD2-CG2 3.84Å; K326-I329 HydrophobicContact CB-CB 4.16Å; K326-I329 HydrophobicContact CB-CD1 3.96Å; K326-I329 HydrophobicContact CB-CG1 4.02Å; K326-I329 HydrophobicContact CD-CD1 3.49Å; K326-I329 VanDerWaalsContact CD-CD1 3.49Å; K326-I329 HydrophobicContact CD-CG1 4.47Å; K326-I329 HydrophobicContact CG-CD1 4.33Å; K326-I329 PolarHBondContact O-N 3.37Å; Q327-I329 VanDerWaalsContact C-N 3.3Å; Q327-I329 PolarHBondContact O-N 3.26Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-L331 PolarHBondContact O-N 3.19Å; I329-S332 WeakPolarHBondContact CA-OG 3.38Å; I329-S332 PolarHBondContact O-N 3.12Å; I329-S332 PolarHBondContact O-OG 3.12Å; I329-V333 WeakPolarHBondContact O-CB 3.4Å; I329-V333 WeakPolarHBondContact O-CG2 3.49Å; I329-V333 PolarHBondContact O-N 3.46Å
330A82.3Confident79Confident0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-61.6-42.6174.700000112L37 A40 F325 K326 Q327 V333 Y334L37-A330 HydrophobicContact CD2-CB 4.46Å; A40-A330 WeakPolarHBondContact CB-O 3.47Å; F325-A330 HydrophobicContact CE1-CB 4.09Å; F325-A330 HydrophobicContact CE2-CB 4.36Å; F325-A330 HydrophobicContact CZ-CB 3.55Å; K326-A330 PolarHBondContact O-N 3.14Å; K326-A330 VanDerWaalsContact O-N 3.08Å; Q327-A330 PolarHBondContact O-N 3.48Å; A330-V333 PolarHBondContact O-N 3.43Å; A330-Y334 PolarHBondContact O-N 3.24Å
331L82.9Confident79.3Confident14 Ų1428 Ų287%0.07315%0.146CC..Hα-helixtrans-65.9-41.1176-68.6179.6000112.4L309 I312 W320 Q327 F328 I329 V333 Y334 E335 T396 T397L309-L331 HydrophobicContact CD1-CD1 4.11Å; L309-L331 HydrophobicContact CD1-CD2 3.95Å; I312-L331 HydrophobicContact CD1-CD2 3.79Å; I312-L331 HydrophobicContact CG2-CD2 4.05Å; W320-L331 HydrophobicContact CH2-CD1 4.25Å; W320-L331 HydrophobicContact CH2-CD2 3.84Å; W320-L331 HydrophobicContact CH2-CG 3.98Å; W320-L331 HydrophobicContact CZ3-CD2 4.32Å; Q327-L331 WeakPolarHBondContact O-CG 3.03Å; Q327-L331 PolarHBondContact O-N 2.95Å; F328-L331 PolarHBondContact O-N 2.74Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-L331 PolarHBondContact O-N 3.19Å; L331-V333 VanDerWaalsContact C-N 3.35Å; L331-Y334 PolarHBondContact O-N 3.47Å; L331-E335 WeakPolarHBondContact O-CG 3.44Å; L331-E335 PolarHBondContact O-N 3.05Å; L331-T396 HydrophobicContact CD2-CG2 4.24Å; L331-T397 HydrophobicContact CB-CG2 3.88Å; L331-T397 HydrophobicContact CD1-CG2 4.01Å
332S79.4Confident79.9Confident1 Ų124.8 Ų24.81%0.00713%0.129CC..Hα-helixtrans-63.5-41.5177.776.10000111.5F155 F328 I329 E335 T336F155-S332 VanDerWaalsContact CB-CB 3.47Å; F328-S332 WeakPolarHBondContact O-CB 3.47Å; F328-S332 PolarHBondContact O-N 3.42Å; F328-S332 PolarHBondContact O-OG 3.12Å; I329-S332 WeakPolarHBondContact CA-OG 3.38Å; I329-S332 PolarHBondContact O-N 3.12Å; I329-S332 PolarHBondContact O-OG 3.12Å; S332-E335 PolarHBondContact O-N 3.34Å; S332-T336 WeakPolarHBondContact O-CB 3.41Å; S332-T336 PolarHBondContact O-N 3.02Å; S332-T336 PolarHBondContact O-OG1 3.4Å
333V84.3Confident80.5Confident0 Ų021.2 Ų21.20%011%0.11CC..Hα-helixtrans-61.6-50.1174163.90000111.4L37 A40 A41 L100 L124 I329 A330 L331 E335 T336 V337L37-V333 HydrophobicContact CB-CG2 4.39Å; L37-V333 HydrophobicContact CD1-CG2 4.06Å; L37-V333 HydrophobicContact CD2-CB 4.39Å; L37-V333 HydrophobicContact CD2-CG2 3.86Å; L37-V333 HydrophobicContact CG-CG2 4.32Å; A40-V333 HydrophobicContact CB-CB 4.3Å; A40-V333 HydrophobicContact CB-CG1 3.89Å; A41-V333 HydrophobicContact CB-CG1 4.26Å; L100-V333 HydrophobicContact CB-CG2 4.32Å; L100-V333 HydrophobicContact CD1-CB 4.38Å; L100-V333 HydrophobicContact CD1-CG1 3.52Å; L100-V333 HydrophobicContact CD1-CG2 4.11Å; L100-V333 HydrophobicContact CD2-CG1 4.37Å; L100-V333 HydrophobicContact CD2-CG2 4.15Å; L100-V333 HydrophobicContact CG-CG2 4.43Å; L124-V333 HydrophobicContact CD1-CG2 4.21Å; I329-V333 WeakPolarHBondContact O-CB 3.4Å; I329-V333 WeakPolarHBondContact O-CG2 3.49Å; I329-V333 PolarHBondContact O-N 3.46Å; A330-V333 PolarHBondContact O-N 3.43Å; L331-V333 VanDerWaalsContact C-N 3.35Å; V333-E335 VanDerWaalsContact C-N 3.27Å; V333-E335 PolarHBondContact O-N 3.32Å; V333-T336 WeakPolarHBondContact O-CB 3.49Å; V333-T336 PolarHBondContact O-N 3.43Å; V333-V337 WeakPolarHBondContact O-CG2 3.14Å; V333-V337 PolarHBondContact O-N 2.9Å
334Y88.3Confident81.6Confident0 Ų015.8 Ų15.80%08%0.084CC..Hα-helixtrans-54.9-46.5177.3171.1-92.2000111.1L43 A44 E308 I312 A330 L331 T336 V337 K338 T396L43-Y334 HydrophobicContact CB-CD2 4.43Å; L43-Y334 HydrophobicContact CD2-CD2 4.24Å; L43-Y334 HydrophobicContact CD2-CE2 4.18Å; L43-Y334 HydrophobicContact CG-CD2 4.3Å; L43-Y334 HydrophobicContact CG-CE2 4.04Å; A44-Y334 HydrophobicContact CB-CD2 3.72Å; A44-Y334 HydrophobicContact CB-CE2 3.94Å; A44-Y334 HydrophobicContact CB-CG 4.44Å; E308-Y334 VanDerWaalsContact CD-OH 3.31Å; E308-Y334 VanDerWaalsContact OE2-CE1 3.29Å; E308-Y334 WeakPolarHBondContact OE2-CE1 3.37Å; E308-Y334 PolarHBondContact OE2-OH 2.91Å; I312-Y334 HydrophobicContact CD1-CD1 3.54Å; I312-Y334 HydrophobicContact CD1-CD2 4.11Å; I312-Y334 HydrophobicContact CD1-CE1 3.67Å; I312-Y334 HydrophobicContact CD1-CE2 4.22Å; I312-Y334 HydrophobicContact CD1-CG 3.77Å; I312-Y334 HydrophobicContact CG1-CD1 4.44Å; I312-Y334 HydrophobicContact CG1-CD2 4.16Å; I312-Y334 HydrophobicContact CG1-CE1 4.44Å; I312-Y334 HydrophobicContact CG1-CE2 4.17Å; I312-Y334 HydrophobicContact CG1-CG 4.3Å; A330-Y334 PolarHBondContact O-N 3.24Å; L331-Y334 PolarHBondContact O-N 3.47Å; Y334-T336 PolarHBondContact O-N 2.83Å; Y334-V337 PolarHBondContact O-N 2.92Å; Y334-K338 HydrophobicContact CE1-CD 3.94Å; Y334-K338 VanDerWaalsContact O-CB 3.25Å; Y334-K338 WeakPolarHBondContact O-CB 3.36Å; Y334-K338 PolarHBondContact O-N 2.93Å; Y334-T396 HydrophobicContact CD1-CG2 3.97Å; Y334-T396 HydrophobicContact CE1-CG2 3.94Å
335E85.5Confident82.5Confident0 Ų013.5 Ų13.50%07%0.066CC..Hα-helixtrans-70.3-31-179.5-71.8-66.4-179.300113.9F155 L331 S332 V333 S339 R393 G395 T396 I400F155-E335 HydrophobicContact CD1-CB 3.86Å; F155-E335 HydrophobicContact CD2-CB 4.09Å; F155-E335 HydrophobicContact CE1-CB 3.43Å; F155-E335 VanDerWaalsContact CE1-CB 3.43Å; F155-E335 HydrophobicContact CE1-CG 4.11Å; F155-E335 HydrophobicContact CE2-CB 3.65Å; F155-E335 WeakPolarHBondContact CE2-O 3.17Å; F155-E335 HydrophobicContact CG-CB 4.18Å; F155-E335 HydrophobicContact CZ-CB 3.33Å; F155-E335 HydrophobicContact CZ-CG 4.38Å; L331-E335 WeakPolarHBondContact O-CG 3.44Å; L331-E335 PolarHBondContact O-N 3.05Å; S332-E335 PolarHBondContact O-N 3.34Å; V333-E335 VanDerWaalsContact C-N 3.27Å; V333-E335 PolarHBondContact O-N 3.32Å; E335-S339 VanDerWaalsContact O-CB 3.23Å; E335-S339 WeakPolarHBondContact O-CB 3.32Å; E335-S339 PolarHBondContact O-N 3.47Å; E335-S339 PolarHBondContact O-OG 3.31Å; E335-R393 IonicContact OE1-NH1 2.76Å; E335-R393 IonicContact OE2-CZ 2.75Å; E335-R393 IonicContact OE2-NH1 2.63Å; E335-R393 PolarHBondContact OE2-NH1 3.44Å; E335-R393 IonicContact OE2-NH2 3.19Å; E335-R393 PolarHBondContact OE2-NH2 2.56Å; E335-G395 WeakPolarHBondContact OE1-CA 3.05Å; E335-T396 HydrophobicContact CG-CG2 4.41Å; E335-T396 WeakPolarHBondContact CG-OG1 3.28Å; E335-T396 VanDerWaalsContact OE1-CG2 3.29Å; E335-T396 WeakPolarHBondContact OE1-CG2 3.44Å; E335-T396 PolarHBondContact OE1-N 3.25Å; E335-T396 PolarHBondContact OE1-OG1 2.97Å; E335-I400 HydrophobicContact CG-CD1 4.36Å
336T84.5Confident83.2Confident0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-63.2-53.4174-56.70000110.4I98 L100 I122 L124 F155 S332 V333 Y334 K338 S339 G340I98-T336 HydrophobicContact CG2-CG2 4.15Å; L100-T336 HydrophobicContact CD2-CG2 3.81Å; I122-T336 HydrophobicContact CD1-CG2 3.97Å; I122-T336 WeakPolarHBondContact CD1-O 3.32Å; I122-T336 HydrophobicContact CG1-CG2 3.83Å; L124-T336 HydrophobicContact CD2-CG2 4.49Å; L124-T336 WeakPolarHBondContact CD2-OG1 3.23Å; L124-T336 HydrophobicContact CG-CG2 4.44Å; F155-T336 WeakPolarHBondContact CD2-OG1 3.31Å; S332-T336 WeakPolarHBondContact O-CB 3.41Å; S332-T336 PolarHBondContact O-N 3.02Å; S332-T336 PolarHBondContact O-OG1 3.4Å; V333-T336 WeakPolarHBondContact O-CB 3.49Å; V333-T336 PolarHBondContact O-N 3.43Å; Y334-T336 PolarHBondContact O-N 2.83Å; T336-K338 VanDerWaalsContact C-N 3.35Å; T336-K338 PolarHBondContact O-N 3.2Å; T336-S339 PolarHBondContact O-N 2.7Å; T336-G340 PolarHBondContact O-N 3.09Å
337V88.5Confident83.7Confident0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-63.4-43.6-178.61770000110.6I28 A41 A44 I45 I98 L100 V333 Y334 G340 L341I28-V337 HydrophobicContact CD1-CG2 4.34Å; A41-V337 HydrophobicContact CB-CG2 3.92Å; A44-V337 HydrophobicContact CB-CB 3.83Å; A44-V337 HydrophobicContact CB-CG1 3.67Å; I45-V337 HydrophobicContact CG1-CG1 3.93Å; I98-V337 HydrophobicContact CD1-CB 4.31Å; I98-V337 HydrophobicContact CD1-CG1 4.15Å; I98-V337 HydrophobicContact CD1-CG2 4.01Å; I98-V337 HydrophobicContact CG2-CG2 4.18Å; L100-V337 HydrophobicContact CD1-CG2 4.35Å; V333-V337 WeakPolarHBondContact O-CG2 3.14Å; V333-V337 PolarHBondContact O-N 2.9Å; Y334-V337 PolarHBondContact O-N 2.92Å; V337-G340 PolarHBondContact O-N 3.23Å; V337-L341 HydrophobicContact CG1-CD1 4.1Å; V337-L341 WeakPolarHBondContact O-CB 3.44Å; V337-L341 WeakPolarHBondContact O-CG 3.27Å; V337-L341 PolarHBondContact O-N 2.67Å
338K88.2Confident83.9Confident31 Ų3112.5 Ų12.514%0.1357%0.067CC..Hα-helixtrans-61.4-46.9176.4-174.8-176.3-179.3-170.10112.3A44 E308 Y334 T336 G340 L341 L342A44-K338 HydrophobicContact CB-CB 4.42Å; E308-K338 IonicContact OE1-NZ 3.41Å; E308-K338 PolarHBondContact OE1-NZ 3.39Å; E308-K338 IonicContact OE2-NZ 3.71Å; E308-K338 PolarHBondContact OE2-NZ 3.37Å; Y334-K338 HydrophobicContact CE1-CD 3.94Å; Y334-K338 VanDerWaalsContact O-CB 3.25Å; Y334-K338 WeakPolarHBondContact O-CB 3.36Å; Y334-K338 PolarHBondContact O-N 2.93Å; T336-K338 VanDerWaalsContact C-N 3.35Å; T336-K338 PolarHBondContact O-N 3.2Å; K338-G340 VanDerWaalsContact C-N 3.34Å; K338-G340 PolarHBondContact O-N 3.1Å; K338-L341 PolarHBondContact O-N 2.82Å; K338-L342 HydrophobicContact CG-CD1 4.2Å; K338-L342 VanDerWaalsContact O-CG 3.31Å; K338-L342 WeakPolarHBondContact O-CG 3.06Å; K338-L342 PolarHBondContact O-N 3.49Å
339S85.4Confident84Confident1 Ų116.6 Ų16.61%0.0079%0.093CC..Hα-helixtrans-63.4-41.7179.9-58.20000111.6E335 T336 L342 A343 R393E335-S339 VanDerWaalsContact O-CB 3.23Å; E335-S339 WeakPolarHBondContact O-CB 3.32Å; E335-S339 PolarHBondContact O-N 3.47Å; E335-S339 PolarHBondContact O-OG 3.31Å; T336-S339 PolarHBondContact O-N 2.7Å; S339-L342 PolarHBondContact O-N 3.06Å; S339-A343 PolarHBondContact O-N 3.33Å; S339-R393 PolarHBondContact OG-NH2 2.04Å
340G86.3Confident84.2Confident0 Ų019.6 Ų19.60%011%0.109CC..Hα-helixtrans-65-41178.300000112.9T336 V337 K338 A343 L344 Y383T336-G340 PolarHBondContact O-N 3.09Å; V337-G340 PolarHBondContact O-N 3.23Å; K338-G340 VanDerWaalsContact C-N 3.34Å; K338-G340 PolarHBondContact O-N 3.1Å; G340-A343 PolarHBondContact O-N 3.02Å; G340-L344 WeakPolarHBondContact O-CB 3.06Å; G340-L344 PolarHBondContact O-N 3.45Å; G340-Y383 WeakPolarHBondContact CA-OH 3.29Å; G340-Y383 PolarHBondContact O-OH 2.99Å
341L87.6Confident84Confident2 Ų225.9 Ų25.91%0.0114%0.143CC..Hα-helixtrans-64.1-40.1174-80.3173.3000113L26 I45 H48 V60 V337 K338 L344 N345L26-L341 HydrophobicContact CD1-CD1 4.43Å; L26-L341 HydrophobicContact CD1-CD2 3.83Å; L26-L341 HydrophobicContact CD1-CG 4.25Å; L26-L341 HydrophobicContact CD2-CD2 4.27Å; I45-L341 HydrophobicContact CG1-CD1 4.12Å; H48-L341 HydrophobicContact CB-CD1 3.8Å; V60-L341 HydrophobicContact CG1-CD2 4.05Å; V60-L341 HydrophobicContact CG2-CD2 4.02Å; V337-L341 HydrophobicContact CG1-CD1 4.1Å; V337-L341 WeakPolarHBondContact O-CB 3.44Å; V337-L341 WeakPolarHBondContact O-CG 3.27Å; V337-L341 PolarHBondContact O-N 2.67Å; K338-L341 PolarHBondContact O-N 2.82Å; L341-L344 PolarHBondContact O-N 3.42Å; L341-N345 WeakPolarHBondContact O-CB 3.27Å; L341-N345 PolarHBondContact O-N 2.81Å
342L86.7Confident83.9Confident55 Ų5529.6 Ų29.629%0.28816%0.16SC..Hα-helixtrans-64.5-43.1176.3-72.5171.9000112K338 S339 N345 S346 L390K338-L342 HydrophobicContact CG-CD1 4.2Å; K338-L342 VanDerWaalsContact O-CG 3.31Å; K338-L342 WeakPolarHBondContact O-CG 3.06Å; K338-L342 PolarHBondContact O-N 3.49Å; S339-L342 PolarHBondContact O-N 3.06Å; L342-N345 PolarHBondContact O-N 2.95Å; L342-S346 PolarHBondContact O-N 3.18Å; L342-L390 HydrophobicContact CB-CD2 4.42Å
343A84.9Confident84.1Confident0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-61-49.2175.500000111.2S339 G340 N345 S346 L347 Y383 I387 L390S339-A343 PolarHBondContact O-N 3.33Å; G340-A343 PolarHBondContact O-N 3.02Å; A343-N345 PolarHBondContact O-N 3.42Å; A343-S346 PolarHBondContact O-N 3.39Å; A343-S346 PolarHBondContact O-OG 3.45Å; A343-L347 PolarHBondContact O-N 2.93Å; A343-Y383 HydrophobicContact CB-CE2 3.87Å; A343-I387 HydrophobicContact CB-CB 4.47Å; A343-I387 HydrophobicContact CB-CG1 3.56Å; A343-L390 HydrophobicContact CB-CD1 3.98Å; A343-L390 HydrophobicContact CB-CG 4.44Å
344L85.8Confident83.7Confident3 Ų331.8 Ų31.82%0.01617%0.171CC..Hα-helixtrans-62.2-44.9179.1-175.459.2000111.8V24 L26 D95 L96 G340 L341 S346 L347 L348 W353 Y383V24-L344 HydrophobicContact CG1-CD2 3.47Å; V24-L344 VanDerWaalsContact CG1-CD2 3.47Å; L26-L344 HydrophobicContact CD2-CD2 4.38Å; D95-L344 HydrophobicContact CB-CD2 4.26Å; L96-L344 HydrophobicContact CB-CD2 4.26Å; G340-L344 WeakPolarHBondContact O-CB 3.06Å; G340-L344 PolarHBondContact O-N 3.45Å; L341-L344 PolarHBondContact O-N 3.42Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 2.97Å; L344-L347 WeakPolarHBondContact O-CB 3.31Å; L344-L347 PolarHBondContact O-N 3.15Å; L344-L347 VanDerWaalsContact O-N 3.11Å; L344-L348 HydrophobicContact CD1-CD1 4.33Å; L344-L348 HydrophobicContact CD1-CG 4.49Å; L344-L348 HydrophobicContact CG-CD1 3.84Å; L344-L348 HydrophobicContact CG-CG 4.45Å; L344-L348 WeakPolarHBondContact O-CG 3.32Å; L344-L348 PolarHBondContact O-N 3.25Å; L344-W353 HydrophobicContact CD1-CD2 3.84Å; L344-W353 HydrophobicContact CD1-CE3 3.82Å; L344-W353 HydrophobicContact CD1-CH2 3.68Å; L344-W353 HydrophobicContact CD1-CZ2 3.68Å; L344-W353 HydrophobicContact CD1-CZ3 3.75Å; L344-Y383 HydrophobicContact CB-CE2 4.08Å
345N83.6Confident83Confident37 Ų3737.5 Ų37.520%0.19820%0.198CC..Hα-helixtrans-60.7-39.6176.8-178.159.5000112Q52 L341 L342 A343 L347 L348 V349Q52-N345 PolarHBondContact NE2-OD1 3.18Å; L341-N345 WeakPolarHBondContact O-CB 3.27Å; L341-N345 PolarHBondContact O-N 2.81Å; L342-N345 PolarHBondContact O-N 2.95Å; A343-N345 PolarHBondContact O-N 3.42Å; N345-L347 PolarHBondContact O-N 3.47Å; N345-L348 PolarHBondContact O-N 3.19Å; N345-V349 WeakPolarHBondContact O-CB 3.23Å; N345-V349 VanDerWaalsContact O-CG2 3.3Å; N345-V349 WeakPolarHBondContact O-CG2 3.32Å; N345-V349 PolarHBondContact O-N 2.77Å
346S83Confident82Confident38 Ų3838.9 Ų38.927%0.26621%0.208SC..Hα-helixtrans-59.9-35176.280.60000112.6L342 A343 L344 N350L342-S346 PolarHBondContact O-N 3.18Å; A343-S346 PolarHBondContact O-N 3.39Å; A343-S346 PolarHBondContact O-OG 3.45Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 2.97Å; S346-N350 WeakPolarHBondContact O-CB 3.42Å; S346-N350 VanDerWaalsContact O-CG 3.32Å; S346-N350 PolarHBondContact O-N 3.01Å; S346-N350 PolarHBondContact O-ND2 3.21Å
347L83.2Confident81Confident5 Ų543.8 Ų43.83%0.02623%0.233CC..Hα-helixtrans-75.7-39.3176.6-70.6171.8000112.3A343 L344 N345 N351 Q352 W353 Y383 A386A343-L347 PolarHBondContact O-N 2.93Å; L344-L347 WeakPolarHBondContact O-CB 3.31Å; L344-L347 PolarHBondContact O-N 3.15Å; L344-L347 VanDerWaalsContact O-N 3.11Å; N345-L347 PolarHBondContact O-N 3.47Å; L347-N351 PolarHBondContact O-N 3.41Å; L347-Q352 HydrophobicContact CD2-CB 3.9Å; L347-Q352 PolarHBondContact O-N 3.08Å; L347-W353 HydrophobicContact CB-CB 4.39Å; L347-W353 HydrophobicContact CB-CE3 4.04Å; L347-W353 HydrophobicContact CD1-CE3 3.6Å; L347-W353 HydrophobicContact CD1-CZ3 3.65Å; L347-W353 HydrophobicContact CG-CE3 4.45Å; L347-W353 PolarHBondContact O-N 3.3Å; L347-Y383 HydrophobicContact CD1-CD2 4.34Å; L347-A386 HydrophobicContact CD1-CB 3.59Å; L347-A386 HydrophobicContact CD2-CB 3.79Å; L347-A386 HydrophobicContact CG-CB 3.56Å
348L81.9Confident79.4Confident28 Ų2850.5 Ų50.515%0.14726%0.262CS..Hα-helixtrans-66.8-47.1178.9-70.3165.6000111.5V24 Y59 L344 N345 N350 N351 W353V24-L348 HydrophobicContact CG2-CD1 3.57Å; Y59-L348 HydrophobicContact CE1-CD1 4.19Å; L344-L348 HydrophobicContact CD1-CD1 4.33Å; L344-L348 HydrophobicContact CD1-CG 4.49Å; L344-L348 HydrophobicContact CG-CD1 3.84Å; L344-L348 HydrophobicContact CG-CG 4.45Å; L344-L348 WeakPolarHBondContact O-CG 3.32Å; L344-L348 PolarHBondContact O-N 3.25Å; N345-L348 PolarHBondContact O-N 3.19Å; L348-N350 VanDerWaalsContact C-N 3.29Å; L348-N350 PolarHBondContact O-N 2.65Å; L348-N351 PolarHBondContact O-N 3.14Å; L348-N351 VanDerWaalsContact O-N 3.08Å; L348-W353 HydrophobicContact CD2-CB 3.83Å; L348-W353 HydrophobicContact CD2-CG 3.89Å; L348-W353 HydrophobicContact CG-CB 4.42Å
349V77.2Confident77.5Confident99 Ų9952.5 Ų52.560%0.628%0.28SS*.Hα-helixtrans-60.3-40177.7171.50000111.5N345 N351N345-V349 WeakPolarHBondContact O-CB 3.23Å; N345-V349 VanDerWaalsContact O-CG2 3.3Å; N345-V349 WeakPolarHBondContact O-CG2 3.32Å; N345-V349 PolarHBondContact O-N 2.77Å; V349-N351 VanDerWaalsContact C-N 3.25Å; V349-N351 PolarHBondContact O-N 3Å
350N78.9Confident75.7Confident98 Ų9858.6 Ų58.652%0.52432%0.318SS..THydrogen-bonded Turntrans-81.52.9179.4-69-30.7000113.8S346 L348 Q352S346-N350 WeakPolarHBondContact O-CB 3.42Å; S346-N350 VanDerWaalsContact O-CG 3.32Å; S346-N350 PolarHBondContact O-N 3.01Å; S346-N350 PolarHBondContact O-ND2 3.21Å; L348-N350 VanDerWaalsContact C-N 3.29Å; L348-N350 PolarHBondContact O-N 2.65Å; N350-Q352 HydrophobicContact CB-CB 4.43Å; N350-Q352 HydrophobicContact CB-CG 3.98Å; N350-Q352 PolarHBondContact O-N 3.2Å; N350-Q352 VanDerWaalsContact O-N 3.15Å
351N78Confident73.6Confident132 Ų13265.7 Ų65.771%0.70636%0.355SS*.THydrogen-bonded Turntrans52.229.8-171.8-68.7-39.5000113.6L347 L348 V349L347-N351 PolarHBondContact O-N 3.41Å; L348-N351 PolarHBondContact O-N 3.14Å; L348-N351 VanDerWaalsContact O-N 3.08Å; V349-N351 VanDerWaalsContact C-N 3.25Å; V349-N351 PolarHBondContact O-N 3Å
352Q81.5Confident71.6Confident92 Ų9271 Ų7143%0.4339%0.388SS..  trans-96.1-0.1178.8-71.2179.4-12.300112.5L347 N350 P354L347-Q352 HydrophobicContact CD2-CB 3.9Å; L347-Q352 PolarHBondContact O-N 3.08Å; N350-Q352 HydrophobicContact CB-CB 4.43Å; N350-Q352 HydrophobicContact CB-CG 3.98Å; N350-Q352 PolarHBondContact O-N 3.2Å; N350-Q352 VanDerWaalsContact O-N 3.15Å; Q352-P354 VanDerWaalsContact O-CD 3.25Å; Q352-P354 WeakPolarHBondContact O-CD 3.46Å
353W82.6Confident69.8Low21 Ų2172.7 Ų72.78%0.0840%0.404CS..SBendtrans-77.1113.4175-166.7-122000111D95 L344 L347 L348 R379 Y383D95-W353 HydrophobicContact CB-CZ2 4.06Å; D95-W353 WeakPolarHBondContact O-CZ2 3.38Å; D95-W353 PolarHBondContact OD1-NE1 2.93Å; L344-W353 HydrophobicContact CD1-CD2 3.84Å; L344-W353 HydrophobicContact CD1-CE3 3.82Å; L344-W353 HydrophobicContact CD1-CH2 3.68Å; L344-W353 HydrophobicContact CD1-CZ2 3.68Å; L344-W353 HydrophobicContact CD1-CZ3 3.75Å; L347-W353 HydrophobicContact CB-CB 4.39Å; L347-W353 HydrophobicContact CB-CE3 4.04Å; L347-W353 HydrophobicContact CD1-CE3 3.6Å; L347-W353 HydrophobicContact CD1-CZ3 3.65Å; L347-W353 HydrophobicContact CG-CE3 4.45Å; L347-W353 PolarHBondContact O-N 3.3Å; L348-W353 HydrophobicContact CD2-CB 3.83Å; L348-W353 HydrophobicContact CD2-CG 3.89Å; L348-W353 HydrophobicContact CG-CB 4.42Å; W353-R379 HydrophobicContact CH2-CB 3.83Å; W353-R379 HydrophobicContact CH2-CG 4.28Å; W353-R379 HydrophobicContact CZ2-CB 3.93Å; W353-R379 HydrophobicContact CZ2-CG 3.95Å; W353-R379 HydrophobicContact CZ3-CB 4.33Å; W353-Y383 HydrophobicContact CH2-CD2 4.33Å; W353-Y383 HydrophobicContact CZ3-CD2 4.14Å; W353-Y383 HydrophobicContact CZ3-CG 4.46Å
354P77.2Confident68Low25 Ų2582.5 Ų82.516%0.16244%0.441CS..PPolyproline II helixtrans-60.4150.4-179.2-21.833.6000112.5Q352 S356 T377 R379 R382Q352-P354 VanDerWaalsContact O-CD 3.25Å; Q352-P354 WeakPolarHBondContact O-CD 3.46Å; P354-S356 PolarHBondContact O-N 3.13Å; P354-T377 WeakPolarHBondContact CB-O 3.32Å; P354-T377 VanDerWaalsContact CG-O 3.29Å; P354-T377 WeakPolarHBondContact CG-O 3.39Å; P354-R379 HydrophobicContact CB-CG 4.02Å; P354-R379 HydrophobicContact CG-CG 4.2Å; P354-R379 PolarHBondContact O-NE 2.79Å; P354-R379 PolarHBondContact O-NH2 3.35Å; P354-R379 VanDerWaalsContact O-NH2 3.1Å; P354-R382 HydrophobicContact CG-CB 4.42Å; P354-R382 HydrophobicContact CG-CG 3.96Å
355E71.6Confident66.7Low120 Ų12088.9 Ų88.956%0.56147%0.469SS*.PPolyproline II helixtrans-61139.1166.4-73.9-168.6166.800109.6K358E355-K358 WeakPolarHBondContact OE2-CE 3.2Å; E355-K358 IonicContact OE2-NZ 3.17Å; E355-K358 PolarHBondContact OE2-NZ 3.44Å
356S64.9Low65.6Low30 Ų3090.2 Ų90.221%0.2148%0.475CS..PPolyproline II helixtrans-52.4142171.555.20000109.4P354 K358P354-S356 PolarHBondContact O-N 3.13Å; S356-K358 PolarHBondContact O-N 3.4Å
357I63.2Low64.7Low102 Ų10289.4 Ų89.452%0.52347%0.469SS..  trans-48.6109.7171.6-59.3176.1000108.2D118 S359D118-I357 HydrophobicContact CB-CD1 3.45Å; D118-I357 VanDerWaalsContact CB-CD1 3.45Å; D118-I357 HydrophobicContact CB-CG1 3.87Å; I357-S359 PolarHBondContact O-N 3.44Å
358K55.3Low63.9Low141 Ų14194.8 Ų94.861%0.61350%0.498SS*.  trans-67124.2175.5-71.7177.9-177.3161.20106.7E355 S356 T360E355-K358 WeakPolarHBondContact OE2-CE 3.2Å; E355-K358 IonicContact OE2-NZ 3.17Å; E355-K358 PolarHBondContact OE2-NZ 3.44Å; S356-K358 PolarHBondContact O-N 3.4Å; K358-T360 PolarHBondContact O-N 2.92Å
359S49Very low62.9Low74 Ų7495.2 Ų95.252%0.51750%0.503SS..  trans-50.4102.8176.6179.90000109.7I357 N361I357-S359 PolarHBondContact O-N 3.44Å; S359-N361 VanDerWaalsContact C-N 3.34Å; S359-N361 PolarHBondContact O-N 2.96Å; S359-N361 VanDerWaalsContact O-N 3.09Å
360T46.4Very low62.3Low129 Ų12996 Ų9679%0.79151%0.51SS*.  trans-75.593.4166.738.40000106.4K358K358-T360 PolarHBondContact O-N 2.92Å
361N42.2Very low61.7Low149 Ų14994.5 Ų94.580%0.79750%0.502SS*.SBendtrans38.585.7164.4-77.3-21000116S359S359-N361 VanDerWaalsContact C-N 3.34Å; S359-N361 PolarHBondContact O-N 2.96Å; S359-N361 VanDerWaalsContact O-N 3.09Å
362T46.5Very low61Low114 Ų11490.3 Ų90.370%0.69948%0.482SS*.  trans157.9121.6133.839.90000109.4R364T362-R364 PolarHBondContact O-N 3.37Å
363S48.2Very low60.3Low89 Ų8989.2 Ų89.262%0.62248%0.478SS*.THydrogen-bonded Turntrans-67.529.5-17456.10000115.5Q87Q87-S363 PolarHBondContact NE2-O 3.34Å
364R47.9Very low59.4Low206 Ų20689 Ų8978%0.77748%0.479SS*.THydrogen-bonded Turntrans-132.4-2-173.9-93.8-170.6-175.5174.52.8118.6T362T362-R364 PolarHBondContact O-N 3.37Å
365K58.1Low59.1Low138 Ų13890.9 Ų90.960%0.649%0.488SS*.  trans-144.734.9-174.4-67-163.8174.8-176.60117.3C367 D368 S369K365-C367 VanDerWaalsContact C-N 3.31Å; K365-C367 PolarHBondContact O-N 3.46Å; K365-D368 HydrophobicContact CB-CB 3.91Å; K365-D368 HydrophobicContact CD-CB 4.11Å; K365-D368 HydrophobicContact CG-CB 3.8Å; K365-S369 WeakPolarHBondContact O-CB 3.26Å; K365-S369 PolarHBondContact O-N 3.38Å; K365-S369 VanDerWaalsContact O-N 3.12Å
366I60Low59Low65 Ų6588.3 Ų88.333%0.33348%0.483SS..THydrogen-bonded Turntrans-61.5-41.4173.6-64.7173.3000110.9I86 I117 S369I86-I366 HydrophobicContact CG2-CD1 3.69Å; I117-I366 HydrophobicContact CG2-CG2 4.03Å; I366-S369 PolarHBondContact O-OG 3.21Å
367C66Low59.4Low20 Ų2091.7 Ų91.714%0.13550%0.503CS..THydrogen-bonded Turntrans-95.5-12.8179-60.60000114.5C83 Q116 K365 S369C83-C367 HydrophobicContact CB-CB 3.9Å; C83-C367 WeakPolarHBondContact CB-SG 3.47Å; C83-C367 WeakPolarHBondContact SG-CB 3.45Å; C83-C367 CovalentContact SG-SG 2.01Å; C83-C367 PolarHBondContact SG-SG 3.39Å; Q116-C367 PolarHBondContact NE2-O 3.06Å; Q116-C367 PolarHBondContact OE1-O 3.48Å; K365-C367 VanDerWaalsContact C-N 3.31Å; K365-C367 PolarHBondContact O-N 3.46Å; C367-S369 VanDerWaalsContact C-N 3.34Å
368D65Low60Low119 Ų11987.7 Ų87.764%0.63648%0.483SS*.THydrogen-bonded Turntrans-92.21.2174.8-67.1-22.2000111.9K365K365-D368 HydrophobicContact CB-CB 3.91Å; K365-D368 HydrophobicContact CD-CB 4.11Å; K365-D368 HydrophobicContact CG-CB 3.8Å
369S62.2Low61.3Low36 Ų3681.1 Ų81.125%0.25245%0.454SS..SBendtrans-71.8148.3176.768.60000110.6Q116 K365 I366 C367Q116-S369 PolarHBondContact NE2-O 3.06Å; K365-S369 WeakPolarHBondContact O-CB 3.26Å; K365-S369 PolarHBondContact O-N 3.38Å; K365-S369 VanDerWaalsContact O-N 3.12Å; I366-S369 PolarHBondContact O-OG 3.21Å; C367-S369 VanDerWaalsContact C-N 3.34Å
370P64.3Low62.9Low115 Ų11577.7 Ų77.775%0.74743%0.43SS*.PPolyproline II helixtrans-56.1151.3165.725.4-32.7000110.1P372P370-P372 WeakPolarHBondContact O-CD 3.23Å
371I65.6Low64.3Low67 Ų6775.9 Ų75.934%0.34441%0.41SS..PPolyproline II helixtrans-56.9120.9177.4-58.2172000107.9K112 Q115 Q116K112-I371 HydrophobicContact CD-CD1 4.19Å; K112-I371 HydrophobicContact CG-CD1 3.95Å; K112-I371 HydrophobicContact CG-CG1 4.09Å; Q115-I371 HydrophobicContact CB-CG2 4Å; Q116-I371 HydrophobicContact CG-CG1 4.5Å
372P63.7Low66.3Low45 Ų4572.3 Ų72.329%0.29239%0.385SS..PPolyproline II helixtrans-69152.4178.627.5-32.6000111.1Q115 P370 V374Q115-P372 WeakPolarHBondContact O-CD 3.49Å; Q115-P372 WeakPolarHBondContact O-CG 3.05Å; P370-P372 WeakPolarHBondContact O-CD 3.23Å; P372-V374 PolarHBondContact O-N 2.92Å
373I65.8Low68.1Low68 Ų6866.9 Ų66.935%0.34935%0.352SS..PPolyproline II helixtrans-69.2128.5174.1-59.4169.7000108.2I134 L138 L139 D375I134-I373 HydrophobicContact CG2-CG2 4.29Å; L138-I373 HydrophobicContact CB-CD1 4.27Å; L138-I373 HydrophobicContact CD1-CD1 4.15Å; L139-I373 HydrophobicContact CD1-CG2 4.13Å; I373-D375 PolarHBondContact O-N 2.72Å
374V64.9Low69.5Low17 Ų1763.4 Ų63.410%0.10333%0.326CS..  trans-79.898.8-179.1179.80000109.3I134 L148 P372 F380 Y381I134-V374 HydrophobicContact CD1-CB 4.09Å; I134-V374 HydrophobicContact CD1-CG2 4.47Å; L148-V374 HydrophobicContact CD2-CB 4.49Å; L148-V374 HydrophobicContact CD2-CG1 4.29Å; P372-V374 PolarHBondContact O-N 2.92Å; V374-F380 HydrophobicContact CG1-CD1 3.76Å; V374-F380 HydrophobicContact CG1-CE1 4.38Å; V374-F380 HydrophobicContact CG2-CD1 4.07Å; V374-F380 HydrophobicContact CG2-CE1 4.37Å; V374-Y381 HydrophobicContact CG1-CD2 4Å; V374-Y381 HydrophobicContact CG1-CG 4.39Å
375D69.6Low70.9Confident64 Ų6455.6 Ų55.634%0.34230%0.298SS..  trans-102.8166.6175.9-71.9-26000112.1I373 T377 T378 Y381I373-D375 PolarHBondContact O-N 2.72Å; D375-T377 PolarHBondContact O-N 2.84Å; D375-T378 WeakPolarHBondContact O-CB 3.5Å; D375-T378 PolarHBondContact O-N 2.83Å; D375-T378 PolarHBondContact O-OG1 2.85Å; D375-Y381 WeakPolarHBondContact O-CB 3.35Å
376S70.7Confident72.1Confident66 Ų6649.4 Ų49.446%0.46227%0.273SS..THydrogen-bonded Turntrans-58.2-9.5175.368.40000115.2R382S376-R382 PolarHBondContact O-NE 3.13Å
377T71.9Confident73.1Confident101 Ų10146.4 Ų46.462%0.6226%0.257SS*.THydrogen-bonded Turntrans-95.1-13.6175.954.70000113.6P354 D375P354-T377 WeakPolarHBondContact CB-O 3.32Å; P354-T377 VanDerWaalsContact CG-O 3.29Å; P354-T377 WeakPolarHBondContact CG-O 3.39Å; D375-T377 PolarHBondContact O-N 2.84Å
378T76.5Confident73.5Confident19 Ų1947.8 Ų47.812%0.11727%0.265CS..SBendtrans-74.1143.7-179.561.60000110.9D118 D375 F380 Y381 R382D118-T378 WeakPolarHBondContact OD1-CB 3.43Å; D375-T378 WeakPolarHBondContact O-CB 3.5Å; D375-T378 PolarHBondContact O-N 2.83Å; D375-T378 PolarHBondContact O-OG1 2.85Å; T378-F380 PolarHBondContact O-N 3.24Å; T378-Y381 PolarHBondContact O-N 3.01Å; T378-Y381 VanDerWaalsContact OG1-CB 3.24Å; T378-Y381 WeakPolarHBondContact OG1-CB 3.35Å; T378-Y381 PolarHBondContact OG1-N 3.33Å; T378-Y381 VanDerWaalsContact OG1-N 3.17Å; T378-R382 PolarHBondContact O-N 3.5Å; T378-R382 VanDerWaalsContact O-N 3.12Å
379R83.2Confident74.2Confident2 Ų250 Ų501%0.00827%0.265CS..Hα-helixtrans-59-39.7173.7-73.7173.9163.2-149.3-12.9110.4H93 D95 D118 W353 P354 R382 Y383H93-R379 PolarHBondContact ND1-NH1 3.09Å; D95-R379 IonicContact OD1-CZ 2.65Å; D95-R379 IonicContact OD1-NH1 3.14Å; D95-R379 PolarHBondContact OD1-NH1 3.23Å; D95-R379 IonicContact OD1-NH2 3.43Å; D118-R379 WeakPolarHBondContact O-CB 3.38Å; D118-R379 WeakPolarHBondContact O-CD 3.2Å; D118-R379 WeakPolarHBondContact OD1-CB 3.21Å; D118-R379 PolarHBondContact OD1-N 2.87Å; W353-R379 HydrophobicContact CH2-CB 3.83Å; W353-R379 HydrophobicContact CH2-CG 4.28Å; W353-R379 HydrophobicContact CZ2-CB 3.93Å; W353-R379 HydrophobicContact CZ2-CG 3.95Å; W353-R379 HydrophobicContact CZ3-CB 4.33Å; P354-R379 HydrophobicContact CB-CG 4.02Å; P354-R379 HydrophobicContact CG-CG 4.2Å; P354-R379 PolarHBondContact O-NE 2.79Å; P354-R379 PolarHBondContact O-NH2 3.35Å; P354-R379 VanDerWaalsContact O-NH2 3.1Å; R379-R382 PolarHBondContact O-N 2.95Å; R379-Y383 VanDerWaalsContact O-CB 3.22Å; R379-Y383 WeakPolarHBondContact O-CB 3.35Å; R379-Y383 PolarHBondContact O-N 2.89Å
380F81.3Confident75.1Confident2 Ų249.3 Ų49.31%0.00926%0.258CS..Hα-helixtrans-53.1-60.6174.7-171.8-90000110.9A114 Q115 D118 I121 L148 I150 V374 T378 R382 Y383 L384A114-F380 HydrophobicContact CB-CD2 4.47Å; A114-F380 HydrophobicContact CB-CE2 4.41Å; Q115-F380 HydrophobicContact CG-CD2 4.04Å; Q115-F380 HydrophobicContact CG-CE1 4.44Å; Q115-F380 HydrophobicContact CG-CE2 3.76Å; Q115-F380 HydrophobicContact CG-CG 4.48Å; Q115-F380 HydrophobicContact CG-CZ 3.99Å; D118-F380 PolarHBondContact OD1-N 2.95Å; I121-F380 HydrophobicContact CB-CE2 4.32Å; I121-F380 HydrophobicContact CG2-CD2 4.19Å; I121-F380 HydrophobicContact CG2-CE2 3.38Å; I121-F380 HydrophobicContact CG2-CZ 4.04Å; L148-F380 HydrophobicContact CD2-CE1 4.37Å; I150-F380 HydrophobicContact CB-CZ 4.45Å; I150-F380 HydrophobicContact CD1-CZ 4.27Å; I150-F380 HydrophobicContact CG1-CE1 4.37Å; I150-F380 HydrophobicContact CG1-CZ 4.05Å; I150-F380 HydrophobicContact CG2-CE1 4.34Å; I150-F380 HydrophobicContact CG2-CE2 4.41Å; I150-F380 HydrophobicContact CG2-CZ 3.58Å; V374-F380 HydrophobicContact CG1-CD1 3.76Å; V374-F380 HydrophobicContact CG1-CE1 4.38Å; V374-F380 HydrophobicContact CG2-CD1 4.07Å; V374-F380 HydrophobicContact CG2-CE1 4.37Å; T378-F380 PolarHBondContact O-N 3.24Å; F380-R382 PolarHBondContact O-N 3.17Å; F380-Y383 WeakPolarHBondContact O-CB 2.96Å; F380-Y383 PolarHBondContact O-N 3.11Å; F380-L384 HydrophobicContact CD1-CD1 3.84Å; F380-L384 HydrophobicContact CD1-CG 4.28Å; F380-L384 HydrophobicContact CE1-CD1 3.51Å; F380-L384 HydrophobicContact CE1-CG 4.24Å; F380-L384 HydrophobicContact CZ-CD1 4.31Å; F380-L384 VanDerWaalsContact O-CG 3.31Å; F380-L384 WeakPolarHBondContact O-CG 3.11Å; F380-L384 PolarHBondContact O-N 3.2Å; F380-L384 VanDerWaalsContact O-N 3.11Å
381Y77.4Confident75.9Confident92 Ų9248.7 Ų48.736%0.36125%0.254SS..Hα-helixtrans-59.9-42.9-177.9-172.5-88.6000113.5V374 D375 T378 Y383 L384 E385V374-Y381 HydrophobicContact CG1-CD2 4Å; V374-Y381 HydrophobicContact CG1-CG 4.39Å; D375-Y381 WeakPolarHBondContact O-CB 3.35Å; T378-Y381 PolarHBondContact O-N 3.01Å; T378-Y381 VanDerWaalsContact OG1-CB 3.24Å; T378-Y381 WeakPolarHBondContact OG1-CB 3.35Å; T378-Y381 PolarHBondContact OG1-N 3.33Å; T378-Y381 VanDerWaalsContact OG1-N 3.17Å; Y381-Y383 VanDerWaalsContact C-N 3.33Å; Y381-Y383 PolarHBondContact O-N 3.34Å; Y381-L384 WeakPolarHBondContact O-CB 3.45Å; Y381-L384 PolarHBondContact O-N 2.91Å; Y381-E385 PolarHBondContact O-N 3.45Å
382R82.5Confident76.7Confident74 Ų7450.9 Ų50.928%0.27926%0.261SS..Hα-helixtrans-64.5-39179.2-73-64.5-175.1174.97112.5P354 S376 T378 R379 F380 L384 E385 A386P354-R382 HydrophobicContact CG-CB 4.42Å; P354-R382 HydrophobicContact CG-CG 3.96Å; S376-R382 PolarHBondContact O-NE 3.13Å; T378-R382 PolarHBondContact O-N 3.5Å; T378-R382 VanDerWaalsContact O-N 3.12Å; R379-R382 PolarHBondContact O-N 2.95Å; F380-R382 PolarHBondContact O-N 3.17Å; R382-L384 VanDerWaalsContact C-N 3.32Å; R382-E385 IonicContact CZ-OE2 3.54Å; R382-E385 IonicContact NH1-OE2 2.69Å; R382-E385 PolarHBondContact NH1-OE2 2.73Å; R382-E385 PolarHBondContact O-N 2.7Å; R382-A386 PolarHBondContact O-N 2.8Å
383Y85.5Confident77.5Confident0 Ų050.7 Ų50.70%026%0.255CS..Hα-helixtrans-60.3-43.8173.7-171.1-108.9000111.6L96 I121 I122 G340 A343 L344 L347 W353 R379 F380 Y381 A386 I387L96-Y383 HydrophobicContact CD1-CD1 4.21Å; L96-Y383 HydrophobicContact CD1-CE1 3.44Å; L96-Y383 VanDerWaalsContact CD1-CE1 3.44Å; L96-Y383 HydrophobicContact CD1-CE2 3.97Å; L96-Y383 WeakPolarHBondContact CD1-OH 3.02Å; L96-Y383 HydrophobicContact CD2-CE2 4.22Å; L96-Y383 VanDerWaalsContact CD2-OH 3.32Å; L96-Y383 WeakPolarHBondContact CD2-OH 3.25Å; I121-Y383 WeakPolarHBondContact O-CE1 3.34Å; I122-Y383 HydrophobicContact CB-CE1 4.49Å; G340-Y383 WeakPolarHBondContact CA-OH 3.29Å; G340-Y383 PolarHBondContact O-OH 2.99Å; A343-Y383 HydrophobicContact CB-CE2 3.87Å; L344-Y383 HydrophobicContact CB-CE2 4.08Å; L347-Y383 HydrophobicContact CD1-CD2 4.34Å; W353-Y383 HydrophobicContact CH2-CD2 4.33Å; W353-Y383 HydrophobicContact CZ3-CD2 4.14Å; W353-Y383 HydrophobicContact CZ3-CG 4.46Å; R379-Y383 VanDerWaalsContact O-CB 3.22Å; R379-Y383 WeakPolarHBondContact O-CB 3.35Å; R379-Y383 PolarHBondContact O-N 2.89Å; F380-Y383 WeakPolarHBondContact O-CB 2.96Å; F380-Y383 PolarHBondContact O-N 3.11Å; Y381-Y383 VanDerWaalsContact C-N 3.33Å; Y381-Y383 PolarHBondContact O-N 3.34Å; Y383-A386 PolarHBondContact O-N 3.13Å; Y383-I387 HydrophobicContact CD1-CD1 3.59Å; Y383-I387 HydrophobicContact CD1-CG1 4.37Å; Y383-I387 HydrophobicContact CE1-CD1 3.14Å; Y383-I387 HydrophobicContact CE1-CG1 4.01Å; Y383-I387 HydrophobicContact CE2-CD1 4.44Å; Y383-I387 HydrophobicContact CE2-CG1 4.47Å; Y383-I387 HydrophobicContact CG-CD1 4.4Å; Y383-I387 WeakPolarHBondContact O-CG1 3.47Å; Y383-I387 PolarHBondContact O-N 3.03Å
384L76.9Confident78.2Confident15 Ų1552 Ų528%0.07926%0.263CS..Hα-helixtrans-60.3-47.6176.6-62.7-171000112.5P151 F380 Y381 R382 A386 I387 T388P151-L384 HydrophobicContact CB-CD2 3.94Å; P151-L384 HydrophobicContact CG-CB 3.85Å; P151-L384 HydrophobicContact CG-CD1 3.97Å; P151-L384 HydrophobicContact CG-CD2 3.57Å; P151-L384 HydrophobicContact CG-CG 3.91Å; F380-L384 HydrophobicContact CD1-CD1 3.84Å; F380-L384 HydrophobicContact CD1-CG 4.28Å; F380-L384 HydrophobicContact CE1-CD1 3.51Å; F380-L384 HydrophobicContact CE1-CG 4.24Å; F380-L384 HydrophobicContact CZ-CD1 4.31Å; F380-L384 VanDerWaalsContact O-CG 3.31Å; F380-L384 WeakPolarHBondContact O-CG 3.11Å; F380-L384 PolarHBondContact O-N 3.2Å; F380-L384 VanDerWaalsContact O-N 3.11Å; Y381-L384 WeakPolarHBondContact O-CB 3.45Å; Y381-L384 PolarHBondContact O-N 2.91Å; R382-L384 VanDerWaalsContact C-N 3.32Å; L384-A386 VanDerWaalsContact C-N 3.28Å; L384-A386 PolarHBondContact O-N 3.41Å; L384-I387 PolarHBondContact O-N 3.47Å; L384-T388 PolarHBondContact O-N 2.99Å; L384-T388 PolarHBondContact O-OG1 3.09Å
385E77.7Confident78.9Confident42 Ų4251.2 Ų51.220%0.19626%0.258CS..Hα-helixtrans-59.2-39.9177.2-171.4-176.8-166.500111.3Y381 R382 T388 R389Y381-E385 PolarHBondContact O-N 3.45Å; R382-E385 IonicContact CZ-OE2 3.54Å; R382-E385 IonicContact NH1-OE2 2.69Å; R382-E385 PolarHBondContact NH1-OE2 2.73Å; R382-E385 PolarHBondContact O-N 2.7Å; E385-T388 PolarHBondContact O-OG1 3.12Å; E385-R389 VanDerWaalsContact O-CG 3.3Å; E385-R389 WeakPolarHBondContact O-CG 3.25Å; E385-R389 PolarHBondContact O-N 3.39Å; E385-R389 IonicContact OE1-CZ 3.53Å; E385-R389 IonicContact OE1-NH1 3.5Å; E385-R389 PolarHBondContact OE1-NH1 2.98Å; E385-R389 IonicContact OE1-NH2 2.86Å; E385-R389 PolarHBondContact OE1-NH2 3.44Å; E385-R389 IonicContact OE2-NH1 3.94Å
386A82.6Confident79.2Confident8 Ų848.3 Ų48.37%0.06624%0.242CC..Hα-helixtrans-68.8-42.5178.900000113.4L347 R382 Y383 L384 T388 R389 L390L347-A386 HydrophobicContact CD1-CB 3.59Å; L347-A386 HydrophobicContact CD2-CB 3.79Å; L347-A386 HydrophobicContact CG-CB 3.56Å; R382-A386 PolarHBondContact O-N 2.8Å; Y383-A386 PolarHBondContact O-N 3.13Å; L384-A386 VanDerWaalsContact C-N 3.28Å; L384-A386 PolarHBondContact O-N 3.41Å; A386-T388 VanDerWaalsContact C-N 3.34Å; A386-T388 PolarHBondContact O-N 2.88Å; A386-R389 PolarHBondContact O-N 2.87Å; A386-R389 VanDerWaalsContact O-N 3.13Å; A386-L390 PolarHBondContact O-N 3.42Å
387I81.2Confident79.4Confident2 Ų245.2 Ų45.21%0.0122%0.22CC..Hα-helixtrans-60.3-47.5179.8-65.8165.3000110.3V153 A343 Y383 L384 R389 L390 F402 V406V153-I387 HydrophobicContact CG2-CD1 4.32Å; V153-I387 HydrophobicContact CG2-CG2 3.93Å; A343-I387 HydrophobicContact CB-CB 4.47Å; A343-I387 HydrophobicContact CB-CG1 3.56Å; Y383-I387 HydrophobicContact CD1-CD1 3.59Å; Y383-I387 HydrophobicContact CD1-CG1 4.37Å; Y383-I387 HydrophobicContact CE1-CD1 3.14Å; Y383-I387 HydrophobicContact CE1-CG1 4.01Å; Y383-I387 HydrophobicContact CE2-CD1 4.44Å; Y383-I387 HydrophobicContact CE2-CG1 4.47Å; Y383-I387 HydrophobicContact CG-CD1 4.4Å; Y383-I387 WeakPolarHBondContact O-CG1 3.47Å; Y383-I387 PolarHBondContact O-N 3.03Å; L384-I387 PolarHBondContact O-N 3.47Å; I387-R389 PolarHBondContact O-N 2.92Å; I387-R389 VanDerWaalsContact O-N 3.12Å; I387-L390 WeakPolarHBondContact O-CB 3.39Å; I387-L390 PolarHBondContact O-N 2.96Å; I387-L390 VanDerWaalsContact O-N 3.12Å; I387-F402 HydrophobicContact CG2-CD1 3.85Å; I387-F402 HydrophobicContact CG2-CE1 4.31Å; I387-F402 VanDerWaalsContact O-CB 3.27Å; I387-F402 WeakPolarHBondContact O-CB 3.3Å; I387-V406 HydrophobicContact CG2-CB 4.29Å; I387-V406 HydrophobicContact CG2-CG1 3.92Å; I387-V406 HydrophobicContact CG2-CG2 3.46Å; I387-V406 VanDerWaalsContact CG2-CG2 3.46Å
388T75.4Confident79.5Confident49 Ų4940.7 Ų40.730%0.30119%0.194SC..Hα-helixtrans-65.5-14.6-179.659.60000114.2L384 E385 A386 F402L384-T388 PolarHBondContact O-N 2.99Å; L384-T388 PolarHBondContact O-OG1 3.09Å; E385-T388 PolarHBondContact O-OG1 3.12Å; A386-T388 VanDerWaalsContact C-N 3.34Å; A386-T388 PolarHBondContact O-N 2.88Å; T388-F402 WeakPolarHBondContact CA-O 3.33Å
389R78.9Confident79.5Confident165 Ų16542.2 Ų42.262%0.62320%0.201SC*.THydrogen-bonded Turntrans-99.1-3.3177.7-73.5179173.8158.88.4113.8E385 A386 I387E385-R389 VanDerWaalsContact O-CG 3.3Å; E385-R389 WeakPolarHBondContact O-CG 3.25Å; E385-R389 PolarHBondContact O-N 3.39Å; E385-R389 IonicContact OE1-CZ 3.53Å; E385-R389 IonicContact OE1-NH1 3.5Å; E385-R389 PolarHBondContact OE1-NH1 2.98Å; E385-R389 IonicContact OE1-NH2 2.86Å; E385-R389 PolarHBondContact OE1-NH2 3.44Å; E385-R389 IonicContact OE2-NH1 3.94Å; A386-R389 PolarHBondContact O-N 2.87Å; A386-R389 VanDerWaalsContact O-N 3.13Å; I387-R389 PolarHBondContact O-N 2.92Å; I387-R389 VanDerWaalsContact O-N 3.12Å
390L80.9Confident79.1Confident23 Ų2342.2 Ų42.212%0.1220%0.201CC..PPolyproline II helixtrans-61.5136.9178.6-77.4178.9000110.5L342 A343 A386 I387 F402L342-L390 HydrophobicContact CB-CD2 4.42Å; A343-L390 HydrophobicContact CB-CD1 3.98Å; A343-L390 HydrophobicContact CB-CG 4.44Å; A386-L390 PolarHBondContact O-N 3.42Å; I387-L390 WeakPolarHBondContact O-CB 3.39Å; I387-L390 PolarHBondContact O-N 2.96Å; I387-L390 VanDerWaalsContact O-N 3.12Å; L390-F402 HydrophobicContact CB-CB 4.13Å; L390-F402 HydrophobicContact CB-CD1 4.18Å; L390-F402 HydrophobicContact CB-CD2 3.49Å; L390-F402 VanDerWaalsContact CB-CD2 3.49Å; L390-F402 HydrophobicContact CB-CE2 3.88Å; L390-F402 HydrophobicContact CB-CG 3.68Å; L390-F402 HydrophobicContact CB-CZ 4.41Å; L390-F402 HydrophobicContact CD1-CD1 4.14Å; L390-F402 HydrophobicContact CD1-CD2 4.43Å; L390-F402 HydrophobicContact CD1-CE1 3.89Å; L390-F402 HydrophobicContact CD1-CE2 4.15Å; L390-F402 HydrophobicContact CD1-CG 4.45Å; L390-F402 HydrophobicContact CD1-CZ 3.89Å
391P82.7Confident78.8Confident101 Ų10143.8 Ų43.866%0.65621%0.209SC*.PPolyproline II helixtrans-68.9153178.729.3-34.7000111.2R393P391-R393 PolarHBondContact O-N 3.09Å
392K80.6Confident78.4Confident114 Ų11439.4 Ų39.450%0.49619%0.192SC..PPolyproline II helixtrans-56.8134.2172.3-176.3172179.5167.50110.7I399 I400 D401K392-I399 HydrophobicContact CD-CG2 3.98Å; K392-I399 HydrophobicContact CG-CG2 3.57Å; K392-I400 WeakPolarHBondContact CA-O 3.37Å; K392-D401 HydrophobicContact CG-CB 4.45Å
393R81.8Confident77.5Confident41 Ų4140.8 Ų40.816%0.15521%0.205CC..EExtended strand (participates in β ladder)trans-142155-179.168.6179.1-179.195.7-6.8112.9E335 S339 P391 G395 I400E335-R393 IonicContact OE1-NH1 2.76Å; E335-R393 IonicContact OE2-CZ 2.75Å; E335-R393 IonicContact OE2-NH1 2.63Å; E335-R393 PolarHBondContact OE2-NH1 3.44Å; E335-R393 IonicContact OE2-NH2 3.19Å; E335-R393 PolarHBondContact OE2-NH2 2.56Å; S339-R393 PolarHBondContact OG-NH2 2.04Å; P391-R393 PolarHBondContact O-N 3.09Å; R393-G395 PolarHBondContact O-N 3.4Å; R393-I400 HydrophobicContact CG-CB 4.16Å; R393-I400 HydrophobicContact CG-CD1 4.48Å; R393-I400 PolarHBondContact N-O 2.92Å; R393-I400 PolarHBondContact O-N 3.34Å
394N80.5Confident76.2Confident96 Ų9649.6 Ų49.651%0.51324%0.243SC..EExtended strand (participates in β ladder)trans-75.4124168-63.8-7.3000108.6
395G78.3Confident75.2Confident0 Ų052.1 Ų52.10%026%0.259CS..EExtended strand (participates in β ladder)trans-105.4-175.3172.800000112.2T304 D305 E335 R393 T397 G398T304-G395 VanDerWaalsContact CA-O 3.26Å; T304-G395 WeakPolarHBondContact CA-O 3.32Å; T304-G395 WeakPolarHBondContact CB-O 3.45Å; D305-G395 PolarHBondContact N-O 2.67Å; E335-G395 WeakPolarHBondContact OE1-CA 3.05Å; R393-G395 PolarHBondContact O-N 3.4Å; G395-T397 VanDerWaalsContact C-N 3.29Å; G395-T397 PolarHBondContact O-N 2.95Å; G395-G398 WeakPolarHBondContact CA-O 3.47Å; G395-G398 PolarHBondContact N-O 3.35Å
396T77.4Confident74.2Confident2 Ų250.4 Ų50.41%0.01225%0.252CS..THydrogen-bonded Turntrans-74.6-17.6177.7590000113.5T304 E308 I312 L331 Y334 E335T304-T396 WeakPolarHBondContact CG2-O 3.22Å; E308-T396 HydrophobicContact CB-CG2 4.36Å; I312-T396 HydrophobicContact CD1-CG2 3.38Å; L331-T396 HydrophobicContact CD2-CG2 4.24Å; Y334-T396 HydrophobicContact CD1-CG2 3.97Å; Y334-T396 HydrophobicContact CE1-CG2 3.94Å; E335-T396 HydrophobicContact CG-CG2 4.41Å; E335-T396 WeakPolarHBondContact CG-OG1 3.28Å; E335-T396 VanDerWaalsContact OE1-CG2 3.29Å; E335-T396 WeakPolarHBondContact OE1-CG2 3.44Å; E335-T396 PolarHBondContact OE1-N 3.25Å; E335-T396 PolarHBondContact OE1-OG1 2.97Å
397T74.1Confident72.8Confident1 Ų151.8 Ų51.81%0.00626%0.26CS..THydrogen-bonded Turntrans-121.221.3-178.752.10000113.1F328 L331 G395 N408F328-T397 HydrophobicContact CD2-CG2 4.12Å; F328-T397 HydrophobicContact CE2-CG2 3.98Å; L331-T397 HydrophobicContact CB-CG2 3.88Å; L331-T397 HydrophobicContact CD1-CG2 4.01Å; G395-T397 VanDerWaalsContact C-N 3.29Å; G395-T397 PolarHBondContact O-N 2.95Å; T397-N408 PolarHBondContact O-ND2 2.96Å; T397-N408 PolarHBondContact OG1-ND2 3.17Å
398G75.1Confident71.7Confident6 Ų651.8 Ų51.86%0.06226%0.26CS..EExtended strand (participates in β ladder)trans115.9-160.9-179.800000112G395G395-G398 WeakPolarHBondContact CA-O 3.47Å; G395-G398 PolarHBondContact N-O 3.35Å
399I75.8Confident70.7Confident51 Ų5152 Ų5226%0.26226%0.257SS..EExtended strand (participates in β ladder)trans-84.6127.7-175.4-51.3168.6000110.5K392 N408 Y410K392-I399 HydrophobicContact CD-CG2 3.98Å; K392-I399 HydrophobicContact CG-CG2 3.57Å; I399-N408 PolarHBondContact O-OD1 3.1Å; I399-N408 VanDerWaalsContact O-OD1 3.1Å; I399-Y410 HydrophobicContact CB-CD2 4.28Å
400I75.6Confident69.7Low2 Ų247.2 Ų47.21%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-99.8123.7179.1-54.6168.6000108.6F155 E335 K392 R393 F402F155-I400 HydrophobicContact CE1-CD1 3.59Å; F155-I400 HydrophobicContact CE1-CG1 3.94Å; F155-I400 HydrophobicContact CE1-CG2 4.49Å; F155-I400 HydrophobicContact CZ-CD1 3.87Å; F155-I400 HydrophobicContact CZ-CG1 4.48Å; F155-I400 HydrophobicContact CZ-CG2 4.44Å; E335-I400 HydrophobicContact CG-CD1 4.36Å; K392-I400 WeakPolarHBondContact CA-O 3.37Å; R393-I400 HydrophobicContact CG-CB 4.16Å; R393-I400 HydrophobicContact CG-CD1 4.48Å; R393-I400 PolarHBondContact N-O 2.92Å; R393-I400 PolarHBondContact O-N 3.34Å; I400-F402 HydrophobicContact CB-CE2 4.36Å; I400-F402 HydrophobicContact CG2-CD2 4.18Å; I400-F402 HydrophobicContact CG2-CE1 4.15Å; I400-F402 HydrophobicContact CG2-CE2 3.47Å; I400-F402 VanDerWaalsContact CG2-CE2 3.47Å; I400-F402 HydrophobicContact CG2-CZ 3.43Å; I400-F402 VanDerWaalsContact CG2-CZ 3.43Å
401D73.7Confident68.8Low35 Ų3546.1 Ų46.119%0.18723%0.234CC..BIsolated β-bridgetrans-124.7133.2176.1-166.8-14.3000109.5K392 N403K392-D401 HydrophobicContact CG-CB 4.45Å; D401-N403 PolarHBondContact OD1-N 2.94Å
402F70.3Confident68Low1 Ų142.8 Ų42.80%0.00421%0.212CC..  trans-104.710.9-172.3-64.2-91.9000113.4I387 T388 L390 I400 K404 V406I387-F402 HydrophobicContact CG2-CD1 3.85Å; I387-F402 HydrophobicContact CG2-CE1 4.31Å; I387-F402 VanDerWaalsContact O-CB 3.27Å; I387-F402 WeakPolarHBondContact O-CB 3.3Å; T388-F402 WeakPolarHBondContact CA-O 3.33Å; L390-F402 HydrophobicContact CB-CB 4.13Å; L390-F402 HydrophobicContact CB-CD1 4.18Å; L390-F402 HydrophobicContact CB-CD2 3.49Å; L390-F402 VanDerWaalsContact CB-CD2 3.49Å; L390-F402 HydrophobicContact CB-CE2 3.88Å; L390-F402 HydrophobicContact CB-CG 3.68Å; L390-F402 HydrophobicContact CB-CZ 4.41Å; L390-F402 HydrophobicContact CD1-CD1 4.14Å; L390-F402 HydrophobicContact CD1-CD2 4.43Å; L390-F402 HydrophobicContact CD1-CE1 3.89Å; L390-F402 HydrophobicContact CD1-CE2 4.15Å; L390-F402 HydrophobicContact CD1-CG 4.45Å; L390-F402 HydrophobicContact CD1-CZ 3.89Å; I400-F402 HydrophobicContact CB-CE2 4.36Å; I400-F402 HydrophobicContact CG2-CD2 4.18Å; I400-F402 HydrophobicContact CG2-CE1 4.15Å; I400-F402 HydrophobicContact CG2-CE2 3.47Å; I400-F402 VanDerWaalsContact CG2-CE2 3.47Å; I400-F402 HydrophobicContact CG2-CZ 3.43Å; I400-F402 VanDerWaalsContact CG2-CZ 3.43Å; F402-K404 PolarHBondContact O-N 3.03Å; F402-K404 VanDerWaalsContact O-N 3.09Å; F402-V406 HydrophobicContact CD1-CB 4.48Å; F402-V406 HydrophobicContact CD1-CG1 3.34Å; F402-V406 HydrophobicContact CE1-CG1 3.57Å; F402-V406 HydrophobicContact CG-CG1 4.47Å
403N61.7Low67.5Low103 Ų10337.5 Ų37.555%0.55119%0.189SC*.SBendtrans-64.6106.6-174.8-169.57000113.2D401 T405D401-N403 PolarHBondContact OD1-N 2.94Å; N403-T405 PolarHBondContact O-N 2.91Å
404K58.6Low66.8Low184 Ų18438.2 Ų38.280%0.819%0.194SC*.SBendtrans63.1-29.7176.6-62.2178.8-178-179.90117.1F402F402-K404 PolarHBondContact O-N 3.03Å; F402-K404 VanDerWaalsContact O-N 3.09Å
405T56.1Low66.2Low68 Ų6834 Ų3442%0.41717%0.171SC..SBendtrans-137148.2171.859.10000109N403 T407N403-T405 PolarHBondContact O-N 2.91Å; T405-T407 PolarHBondContact O-N 3.05Å
406V56.2Low65.8Low6 Ų634.9 Ų34.94%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-104.573.5-168.7-1650000111.2P151 V153 K154 I387 F402P151-V406 HydrophobicContact CB-CG2 4.34Å; V153-V406 CarbonylContact C-O 3.59Å; V153-V406 HydrophobicContact CB-CB 4.31Å; V153-V406 HydrophobicContact CB-CG1 3.74Å; V153-V406 HydrophobicContact CG1-CG1 3.7Å; V153-V406 HydrophobicContact CG2-CB 3.89Å; V153-V406 HydrophobicContact CG2-CG1 3.33Å; V153-V406 HydrophobicContact CG2-CG2 4.29Å; K154-V406 PolarHBondContact N-O 2.97Å; I387-V406 HydrophobicContact CG2-CB 4.29Å; I387-V406 HydrophobicContact CG2-CG1 3.92Å; I387-V406 HydrophobicContact CG2-CG2 3.46Å; I387-V406 VanDerWaalsContact CG2-CG2 3.46Å; F402-V406 HydrophobicContact CD1-CB 4.48Å; F402-V406 HydrophobicContact CD1-CG1 3.34Å; F402-V406 HydrophobicContact CE1-CG1 3.57Å; F402-V406 HydrophobicContact CG-CG1 4.47Å
407T54.7Low65.4Low38 Ų3837 Ų3723%0.23319%0.185CC..EExtended strand (participates in β ladder)trans-122.3142.1177.957.50000110.9K154 T405 Q409K154-T407 HydrophobicContact CB-CG2 4.23Å; K154-T407 WeakPolarHBondContact O-CA 3.42Å; T405-T407 PolarHBondContact O-N 3.05Å; T407-Q409 PolarHBondContact O-N 3.4Å; T407-Q409 WeakPolarHBondContact OG1-CG 3.34Å
408N57.4Low65.3Low2 Ų237 Ų371%0.01119%0.185CC..  trans-69.199160179.9-6.3000107.7K154 F155 T397 I399 Y410K154-N408 PolarHBondContact O-N 2.83Å; F155-N408 HydrophobicContact CD1-CB 4.1Å; F155-N408 HydrophobicContact CE1-CB 4.31Å; T397-N408 PolarHBondContact O-ND2 2.96Å; T397-N408 PolarHBondContact OG1-ND2 3.17Å; I399-N408 PolarHBondContact O-OD1 3.1Å; I399-N408 VanDerWaalsContact O-OD1 3.1Å; N408-Y410 VanDerWaalsContact C-N 3.25Å; N408-Y410 PolarHBondContact O-N 3.4Å; N408-Y410 PolarHBondContact OD1-N 2.75Å; N408-Y410 VanDerWaalsContact OD1-N 3.07Å
409Q55Low65.1Low53 Ų5338.9 Ų38.925%0.24819%0.192CC..THydrogen-bonded Turntrans-83.77.8-177.4-64-174.81.300114.1T407 Y438 P439T407-Q409 PolarHBondContact O-N 3.4Å; T407-Q409 WeakPolarHBondContact OG1-CG 3.34Å; Q409-Y438 CarbonylContact C-O 3.59Å; Q409-Y438 CarbonylContact O-C 3.53Å; Q409-P439 HydrophobicContact CB-CG 4.48Å; Q409-P439 WeakPolarHBondContact O-CD 3.16Å
410Y57.7Low64.8Low64 Ų6436.6 Ų36.625%0.25118%0.181SC..THydrogen-bonded Turntrans-138.738.5-172.2-57.8-75.7000111.8I399 N408 V412 I437 Y438I399-Y410 HydrophobicContact CB-CD2 4.28Å; N408-Y410 VanDerWaalsContact C-N 3.25Å; N408-Y410 PolarHBondContact O-N 3.4Å; N408-Y410 PolarHBondContact OD1-N 2.75Å; N408-Y410 VanDerWaalsContact OD1-N 3.07Å; Y410-V412 PolarHBondContact O-N 3.13Å; Y410-V412 VanDerWaalsContact O-N 3.09Å; Y410-I437 HydrophobicContact CD1-CG2 4.43Å; Y410-Y438 PolarHBondContact N-O 2.97Å
411A61.1Low64.3Low0 Ų041.5 Ų41.50%020%0.202CC..EExtended strand (participates in β ladder)trans-68108.4166.300000107.9F413 Y438A411-F413 HydrophobicContact CB-CE2 3.88Å; A411-F413 HydrophobicContact CB-CZ 4.22Å; A411-Y438 PolarHBondContact O-N 3.41Å
412V66.1Low63.7Low31 Ų3143.7 Ų43.719%0.18822%0.22CC..EExtended strand (participates in β ladder)trans-95134.1177.4-178.20000108.1D300 Y410 T435 F436 I437D300-V412 HydrophobicContact CB-CB 3.75Å; D300-V412 HydrophobicContact CB-CG1 3.66Å; D300-V412 VanDerWaalsContact CB-O 3.31Å; D300-V412 WeakPolarHBondContact CB-O 3.37Å; D300-V412 PolarHBondContact N-O 3.36Å; D300-V412 WeakPolarHBondContact OD2-CG1 3.45Å; Y410-V412 PolarHBondContact O-N 3.13Å; Y410-V412 VanDerWaalsContact O-N 3.09Å; V412-T435 HydrophobicContact CG1-CG2 4.26Å; V412-F436 CarbonylContact C-O 3.54Å; V412-F436 VanDerWaalsContact CA-O 3.28Å; V412-F436 WeakPolarHBondContact CA-O 3.43Å; V412-I437 HydrophobicContact CG2-CG1 4.28Å
413F70.1Confident63.2Low3 Ų351.2 Ų51.21%0.01326%0.26CS..EExtended strand (participates in β ladder)trans-118.8135.1175.9-61-90.5000110.7L160 A163 L297 K298 V299 A411 T435 F436L160-F413 HydrophobicContact CD1-CD1 4.48Å; L160-F413 HydrophobicContact CD1-CE1 3.6Å; L160-F413 HydrophobicContact CD1-CZ 4.06Å; A163-F413 HydrophobicContact CB-CD2 3.99Å; A163-F413 HydrophobicContact CB-CE2 3.79Å; A163-F413 HydrophobicContact CB-CZ 4.5Å; L297-F413 HydrophobicContact CD2-CB 3.88Å; K298-F413 CarbonylContact O-C 3.56Å; K298-F413 WeakPolarHBondContact O-CA 3.1Å; V299-F413 HydrophobicContact CG2-CD1 4.12Å; V299-F413 HydrophobicContact CG2-CE1 3.75Å; A411-F413 HydrophobicContact CB-CE2 3.88Å; A411-F413 HydrophobicContact CB-CZ 4.22Å; F413-T435 WeakPolarHBondContact O-CA 3.42Å; F413-F436 HydrophobicContact CB-CB 4.48Å; F413-F436 HydrophobicContact CD2-CD1 4.08Å; F413-F436 PolarHBondContact N-O 3.31Å; F413-F436 PolarHBondContact O-N 3.32Å
414H68.2Low62.9Low57 Ų5748.5 Ų48.526%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-92.1137.3169.9-82.3-71.1000110.7K298 D300 T435K298-H414 HydrophobicContact CB-CB 4.47Å; K298-H414 PolarHBondContact N-O 3.32Å; K298-H414 PolarHBondContact O-N 2.8Å; D300-H414 WeakPolarHBondContact CB-CD2 3.02Å; D300-H414 IonicContact OD1-CD2 3.35Å; D300-H414 PolarHBondContact OD1-CD2 3.3Å; D300-H414 IonicContact OD1-NE2 3.06Å; D300-H414 PolarHBondContact OD1-NE2 2.69Å; D300-H414 VanDerWaalsContact OD1-NE2 3.17Å; D300-H414 IonicContact OD2-NE2 2.79Å; H414-T435 VanDerWaalsContact CE1-CG2 3.43Å; H414-T435 WeakPolarHBondContact CE1-CG2 3.49Å
415L67Low63Low6 Ų642.9 Ų42.93%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-98.9128.9176.5-177.169.5000111.7F167 Y295 L297 V432 S434F167-L415 HydrophobicContact CD1-CD1 4.27Å; F167-L415 HydrophobicContact CE1-CD1 3.25Å; F167-L415 HydrophobicContact CE1-CD2 4.07Å; F167-L415 HydrophobicContact CE1-CG 4.25Å; F167-L415 HydrophobicContact CE2-CD1 4.08Å; F167-L415 HydrophobicContact CE2-CD2 3.56Å; F167-L415 HydrophobicContact CE2-CG 4.3Å; F167-L415 HydrophobicContact CZ-CB 4.45Å; F167-L415 HydrophobicContact CZ-CD1 3.2Å; F167-L415 HydrophobicContact CZ-CD2 3.09Å; F167-L415 HydrophobicContact CZ-CG 3.7Å; Y295-L415 HydrophobicContact CD1-CD1 3.9Å; Y295-L415 HydrophobicContact CD1-CD2 4.01Å; Y295-L415 HydrophobicContact CD1-CG 4.08Å; Y295-L415 HydrophobicContact CE1-CD2 4.28Å; Y295-L415 HydrophobicContact CG-CD1 4.18Å; L297-L415 HydrophobicContact CD2-CD1 4.3Å; L297-L415 HydrophobicContact CG-CD1 4.2Å; L415-V432 HydrophobicContact CB-CB 4.26Å; L415-V432 HydrophobicContact CD2-CB 3.56Å; L415-V432 HydrophobicContact CD2-CG1 3.64Å; L415-V432 HydrophobicContact CD2-CG2 3.74Å; L415-V432 HydrophobicContact CG-CB 3.93Å; L415-V432 HydrophobicContact CG-CG2 3.83Å; L415-V432 PolarHBondContact O-N 2.79Å; L415-S434 VanDerWaalsContact CB-OG 3.28Å; L415-S434 WeakPolarHBondContact CB-OG 2.97Å; L415-S434 WeakPolarHBondContact CD2-OG 3.05Å; L415-S434 PolarHBondContact N-O 2.94Å
416Q70Confident63.3Low19 Ų1946.1 Ų46.19%0.08924%0.242CC..EExtended strand (participates in β ladder)trans-121.2132.1171.5-71.4-176.9-1700110.7Y295 C296 C429 S430 D431Y295-Q416 CarbonylContact C-O 3.57Å; Y295-Q416 WeakPolarHBondContact CA-O 3.28Å; C296-Q416 PolarHBondContact N-O 2.79Å; C296-Q416 PolarHBondContact O-N 2.87Å; Q416-C429 HydrophobicContact CB-CB 4.34Å; Q416-S430 CarbonylContact C-O 3.57Å; Q416-S430 WeakPolarHBondContact CA-O 3.09Å; Q416-D431 WeakPolarHBondContact CG-OD1 3.12Å; Q416-D431 PolarHBondContact NE2-OD1 3.4Å
417Q70Confident63.8Low48 Ų4846.9 Ų46.922%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-89.8119.9169.3179.3176.4-2.600108Y288 Y295 C429 S430 V432Y288-Q417 WeakPolarHBondContact OH-CG 3.03Å; Y288-Q417 PolarHBondContact OH-NE2 2.94Å; Y295-Q417 HydrophobicContact CD1-CB 4.22Å; Y295-Q417 HydrophobicContact CE1-CB 4.25Å; Y295-Q417 HydrophobicContact CE1-CG 4.45Å; Q417-C429 CarbonylContact O-C 3.52Å; Q417-C429 VanDerWaalsContact O-CA 3.31Å; Q417-C429 WeakPolarHBondContact O-CA 3.3Å; Q417-S430 PolarHBondContact N-O 3.27Å; Q417-S430 PolarHBondContact O-N 2.99Å; Q417-V432 HydrophobicContact CB-CG2 3.69Å
418C70.4Confident64.4Low1 Ų149.8 Ų49.81%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-119.7142.9-173-62.80000111.9C270 L273 L294 M428 C429C270-C418 HydrophobicContact CB-CB 3.99Å; C270-C418 PolarHBondContact SG-SG 3.02Å; L273-C418 HydrophobicContact CD1-CB 3.97Å; L294-C418 HydrophobicContact CD2-CB 3.97Å; L294-C418 PolarHBondContact O-N 2.98Å; C418-M428 CarbonylContact C-O 3.55Å; C418-M428 WeakPolarHBondContact CA-O 3.29Å; C418-C429 HydrophobicContact CB-CB 4.19Å; C418-C429 WeakPolarHBondContact CB-SG 2.97Å; C418-C429 WeakPolarHBondContact SG-CB 3.31Å; C418-C429 CovalentContact SG-SG 2.04Å; C418-C429 PolarHBondContact SG-SG 3.33Å
419F71.3Confident64.9Low45 Ų4551.5 Ų51.520%0.19727%0.272CS..EExtended strand (participates in β ladder)trans-150.8148.217759.3-84.3000112.4Y288 A427 M428Y288-F419 HydrophobicContact CD2-CB 3.7Å; Y288-F419 HydrophobicContact CD2-CD1 4.46Å; Y288-F419 AromaticContact CD2-CD2 3.98Å; Y288-F419 HydrophobicContact CD2-CD2 3.98Å; Y288-F419 AromaticContact CD2-CG 3.84Å; Y288-F419 HydrophobicContact CD2-CG 3.84Å; Y288-F419 HydrophobicContact CE1-CB 4.3Å; Y288-F419 HydrophobicContact CE2-CB 3.2Å; Y288-F419 AromaticContact CE2-CD1 3.35Å; Y288-F419 HydrophobicContact CE2-CD1 3.35Å; Y288-F419 AromaticContact CE2-CD2 3.59Å; Y288-F419 HydrophobicContact CE2-CD2 3.59Å; Y288-F419 AromaticContact CE2-CE1 3.96Å; Y288-F419 HydrophobicContact CE2-CE1 3.96Å; Y288-F419 HydrophobicContact CE2-CE2 4.19Å; Y288-F419 AromaticContact CE2-CG 3.1Å; Y288-F419 HydrophobicContact CE2-CG 3.1Å; Y288-F419 HydrophobicContact CE2-CZ 4.32Å; Y288-F419 HydrophobicContact CG-CB 4.44Å; Y288-F419 VanDerWaalsContact CZ-CB 3.5Å; Y288-F419 AromaticContact CZ-CD1 3.67Å; Y288-F419 AromaticContact CZ-CG 3.71Å; Y288-F419 WeakPolarHBondContact OH-CD1 2.83Å; F419-A427 WeakPolarHBondContact O-CA 3.17Å; F419-M428 HydrophobicContact CD1-CB 4.39Å; F419-M428 VanDerWaalsContact CD1-O 3.31Å; F419-M428 WeakPolarHBondContact CD1-O 3.49Å; F419-M428 HydrophobicContact CD2-CB 4.36Å; F419-M428 HydrophobicContact CE1-CB 4.01Å; F419-M428 HydrophobicContact CE1-CE 3.82Å; F419-M428 HydrophobicContact CE1-CG 3.94Å; F419-M428 HydrophobicContact CE1-SD 4.07Å; F419-M428 HydrophobicContact CE2-CB 3.96Å; F419-M428 HydrophobicContact CE2-CG 4.4Å; F419-M428 HydrophobicContact CE2-SD 4.06Å; F419-M428 HydrophobicContact CZ-CB 3.8Å; F419-M428 HydrophobicContact CZ-CE 3.51Å; F419-M428 HydrophobicContact CZ-CG 3.78Å; F419-M428 HydrophobicContact CZ-SD 3.39Å; F419-M428 WeakPolarHBondContact CZ-SD 3.5Å; F419-M428 PolarHBondContact N-O 3.18Å; F419-M428 PolarHBondContact O-N 2.84Å
420G69.2Low65.5Low3 Ų351.2 Ų51.23%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-72.5129.1169.400000110.7L286L286-G420 VanDerWaalsContact O-CA 3.25Å; L286-G420 WeakPolarHBondContact O-CA 3.5Å; L286-G420 PolarHBondContact O-N 2.78Å; L286-G420 VanDerWaalsContact O-N 3.07Å
421K65Low65.7Low105 Ų10552.4 Ų52.446%0.45729%0.287SS..PPolyproline II helixtrans-82.7124.5175.2178.4171.2164.5-168.80109.8N423 T424 E426K421-N423 PolarHBondContact O-N 3.32Å; K421-T424 WeakPolarHBondContact CB-OG1 3.36Å; K421-T424 HydrophobicContact CD-CG2 4.18Å; K421-T424 WeakPolarHBondContact CD-OG1 3.45Å; K421-T424 WeakPolarHBondContact CG-OG1 3.49Å; K421-T424 PolarHBondContact O-N 3.17Å; K421-E426 PolarHBondContact N-O 3.41Å
422S60.8Low65.7Low81 Ų8154.5 Ų54.557%0.56630%0.299SS*.THydrogen-bonded Turntrans-59.7125.8173.6-165.80000108.8
423N59.9Low65.4Low159 Ų15956.7 Ų56.785%0.8531%0.31SS*.THydrogen-bonded Turntrans80.36.6176.7-45.9-3.1000116.7K421K421-N423 PolarHBondContact O-N 3.32Å
424T56.6Low64.9Low45 Ų4556.7 Ų56.728%0.27631%0.311SS..SBendtrans-131.1147.6170.155.80000111.4C285 K421 E426C285-T424 PolarHBondContact SG-O 3.21Å; K421-T424 WeakPolarHBondContact CB-OG1 3.36Å; K421-T424 HydrophobicContact CD-CG2 4.18Å; K421-T424 WeakPolarHBondContact CD-OG1 3.45Å; K421-T424 WeakPolarHBondContact CG-OG1 3.49Å; K421-T424 PolarHBondContact O-N 3.17Å; T424-E426 PolarHBondContact O-N 3.04Å
425S60.8Low64.6Low66 Ų6655.3 Ų55.346%0.46231%0.306SS..SBendtrans-73.720.8-178.853.80000115.2
426E61.2Low64.3Low137 Ų13755.2 Ų55.264%0.6431%0.306SS*.  trans-129.1135.2-170.3-67.7179.5173.100111.4K421 T424K421-E426 PolarHBondContact N-O 3.41Å; T424-E426 PolarHBondContact O-N 3.04Å
427A67.6Low63.6Low22 Ų2255.5 Ų55.518%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-79.9134.316600000109.5L273 F419L273-A427 HydrophobicContact CB-CB 4.35Å; L273-A427 HydrophobicContact CD1-CB 4.12Å; F419-A427 WeakPolarHBondContact O-CA 3.17Å
428M67.1Low62.8Low98 Ų9855.3 Ų55.348%0.48331%0.305SS..EExtended strand (participates in β ladder)trans-100.1119.9173.1-177.3174.3141.200109.1C418 F419C418-M428 CarbonylContact C-O 3.55Å; C418-M428 WeakPolarHBondContact CA-O 3.29Å; F419-M428 HydrophobicContact CD1-CB 4.39Å; F419-M428 VanDerWaalsContact CD1-O 3.31Å; F419-M428 WeakPolarHBondContact CD1-O 3.49Å; F419-M428 HydrophobicContact CD2-CB 4.36Å; F419-M428 HydrophobicContact CE1-CB 4.01Å; F419-M428 HydrophobicContact CE1-CE 3.82Å; F419-M428 HydrophobicContact CE1-CG 3.94Å; F419-M428 HydrophobicContact CE1-SD 4.07Å; F419-M428 HydrophobicContact CE2-CB 3.96Å; F419-M428 HydrophobicContact CE2-CG 4.4Å; F419-M428 HydrophobicContact CE2-SD 4.06Å; F419-M428 HydrophobicContact CZ-CB 3.8Å; F419-M428 HydrophobicContact CZ-CE 3.51Å; F419-M428 HydrophobicContact CZ-CG 3.78Å; F419-M428 HydrophobicContact CZ-SD 3.39Å; F419-M428 WeakPolarHBondContact CZ-SD 3.5Å; F419-M428 PolarHBondContact N-O 3.18Å; F419-M428 PolarHBondContact O-N 2.84Å
429C68.1Low61.7Low38 Ų3857.9 Ų57.926%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-112.2121.2174.4-700000109.6Q416 Q417 C418Q416-C429 HydrophobicContact CB-CB 4.34Å; Q417-C429 CarbonylContact O-C 3.52Å; Q417-C429 VanDerWaalsContact O-CA 3.31Å; Q417-C429 WeakPolarHBondContact O-CA 3.3Å; C418-C429 HydrophobicContact CB-CB 4.19Å; C418-C429 WeakPolarHBondContact CB-SG 2.97Å; C418-C429 WeakPolarHBondContact SG-CB 3.31Å; C418-C429 CovalentContact SG-SG 2.04Å; C418-C429 PolarHBondContact SG-SG 3.33Å
430S66.7Low60.8Low47 Ų4761.1 Ų61.133%0.32934%0.337SS..EExtended strand (participates in β ladder)trans-104.2132171.472.70000110.4Q416 Q417 V432Q416-S430 CarbonylContact C-O 3.57Å; Q416-S430 WeakPolarHBondContact CA-O 3.09Å; Q417-S430 PolarHBondContact N-O 3.27Å; Q417-S430 PolarHBondContact O-N 2.99Å; S430-V432 PolarHBondContact O-N 2.92Å
431D63.2Low59.9Low89 Ų8964.7 Ų64.748%0.47636%0.356SS..EExtended strand (participates in β ladder)trans-61.1127.8169-73.9-44.9000110Q416 N433Q416-D431 WeakPolarHBondContact CG-OD1 3.12Å; Q416-D431 PolarHBondContact NE2-OD1 3.4Å; D431-N433 PolarHBondContact O-N 3.15Å
432V61.4Low59.2Low44 Ų4464.5 Ų64.527%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-83.96.8177.9-173.70000110.8Y295 L415 Q417 S430 S434Y295-V432 HydrophobicContact CD1-CG2 4.38Å; Y295-V432 HydrophobicContact CE1-CG2 4.3Å; L415-V432 HydrophobicContact CB-CB 4.26Å; L415-V432 HydrophobicContact CD2-CB 3.56Å; L415-V432 HydrophobicContact CD2-CG1 3.64Å; L415-V432 HydrophobicContact CD2-CG2 3.74Å; L415-V432 HydrophobicContact CG-CB 3.93Å; L415-V432 HydrophobicContact CG-CG2 3.83Å; L415-V432 PolarHBondContact O-N 2.79Å; Q417-V432 HydrophobicContact CB-CG2 3.69Å; S430-V432 PolarHBondContact O-N 2.92Å; V432-S434 PolarHBondContact O-N 3.01Å
433N59.4Low58.9Low77 Ų7761.8 Ų61.841%0.41233%0.334SS..EExtended strand (participates in β ladder)trans51.131.4-179.5-73.2-20.3000113.5D431 N446D431-N433 PolarHBondContact O-N 3.15Å; N433-N446 HydrophobicContact CB-CB 4.26Å; N433-N446 PolarHBondContact O-N 3.22Å
434S59.9Low58.6Low4 Ų457.2 Ų57.23%0.02831%0.309CS..EExtended strand (participates in β ladder)trans-115.3133.2172.959.30000110L415 V432 I444L415-S434 VanDerWaalsContact CB-OG 3.28Å; L415-S434 WeakPolarHBondContact CB-OG 2.97Å; L415-S434 WeakPolarHBondContact CD2-OG 3.05Å; L415-S434 PolarHBondContact N-O 2.94Å; V432-S434 PolarHBondContact O-N 3.01Å; S434-I444 WeakPolarHBondContact CA-O 3.42Å
435T60.2Low58.5Low27 Ų2760.6 Ų60.617%0.16632%0.317CS..EExtended strand (participates in β ladder)trans-115.9130173.350.20000108.7V412 F413 H414 I443 I444V412-T435 HydrophobicContact CG1-CG2 4.26Å; F413-T435 WeakPolarHBondContact O-CA 3.42Å; H414-T435 VanDerWaalsContact CE1-CG2 3.43Å; H414-T435 WeakPolarHBondContact CE1-CG2 3.49Å; T435-I443 WeakPolarHBondContact O-CA 3.38Å; T435-I444 PolarHBondContact N-O 3.34Å; T435-I444 VanDerWaalsContact N-O 3.16Å; T435-I444 PolarHBondContact O-N 3.27Å
436F61.3Low57.8Low5 Ų563.5 Ų63.52%0.02233%0.328CS..EExtended strand (participates in β ladder)trans-102.4129.5176.7178.6-95.4000110.1A163 A166 V412 F413 Y438 N441 I443A163-F436 HydrophobicContact CB-CD1 3.55Å; A163-F436 HydrophobicContact CB-CE1 3.23Å; A163-F436 HydrophobicContact CB-CZ 4.16Å; A166-F436 HydrophobicContact CB-CE2 3.76Å; A166-F436 HydrophobicContact CB-CZ 3.67Å; V412-F436 CarbonylContact C-O 3.54Å; V412-F436 VanDerWaalsContact CA-O 3.28Å; V412-F436 WeakPolarHBondContact CA-O 3.43Å; F413-F436 HydrophobicContact CB-CB 4.48Å; F413-F436 HydrophobicContact CD2-CD1 4.08Å; F413-F436 PolarHBondContact N-O 3.31Å; F413-F436 PolarHBondContact O-N 3.32Å; F436-Y438 HydrophobicContact CE1-CD2 4.42Å; F436-N441 HydrophobicContact CE2-CB 4.45Å; F436-I443 HydrophobicContact CD2-CD1 4.4Å; F436-I443 HydrophobicContact CD2-CG1 3.74Å
437I55.7Low56.8Low25 Ų2562.8 Ų62.813%0.12832%0.324CS..EExtended strand (participates in β ladder)trans-111.8111179.7-52.2179.3000109.7Y410 V412 Q440 N441 K442 I444Y410-I437 HydrophobicContact CD1-CG2 4.43Å; V412-I437 HydrophobicContact CG2-CG1 4.28Å; I437-Q440 HydrophobicContact CG2-CB 4.47Å; I437-Q440 HydrophobicContact CG2-CG 4.47Å; I437-Q440 PolarHBondContact O-N 3.29Å; I437-N441 PolarHBondContact O-N 3.44Å; I437-N441 VanDerWaalsContact O-N 3.09Å; I437-K442 PolarHBondContact N-O 3.04Å; I437-I444 HydrophobicContact CD1-CD1 3.76Å; I437-I444 HydrophobicContact CD1-CG1 4.48Å
438Y53.2Low55.3Low44 Ų4466.2 Ų66.217%0.17335%0.347CS..EExtended strand (participates in β ladder)trans-92.5134173.4-177.8-98000111.2P156 A159 Q409 Y410 A411 F436P156-Y438 HydrophobicContact CG-CE1 4.47Å; A159-Y438 HydrophobicContact CB-CD1 3.55Å; A159-Y438 HydrophobicContact CB-CD2 4.4Å; A159-Y438 HydrophobicContact CB-CE1 3.69Å; A159-Y438 HydrophobicContact CB-CG 3.93Å; Q409-Y438 CarbonylContact C-O 3.59Å; Q409-Y438 CarbonylContact O-C 3.53Å; Y410-Y438 PolarHBondContact N-O 2.97Å; A411-Y438 PolarHBondContact O-N 3.41Å; F436-Y438 HydrophobicContact CE1-CD2 4.42Å
439P47.9Very low53.8Low55 Ų5568.1 Ų68.136%0.35736%0.358SS..THydrogen-bonded Turncis-98.29.59.637.6-36.1000115Q409 N441Q409-P439 HydrophobicContact CB-CG 4.48Å; Q409-P439 WeakPolarHBondContact O-CD 3.16Å; P439-N441 PolarHBondContact O-N 2.83Å
440Q51.3Low52.5Low112 Ų11270.1 Ų70.152%0.52337%0.366SS..THydrogen-bonded Turntrans-61.6-14.8179.2-65.5-175.9-1000113.3I437 K442I437-Q440 HydrophobicContact CG2-CB 4.47Å; I437-Q440 HydrophobicContact CG2-CG 4.47Å; I437-Q440 PolarHBondContact O-N 3.29Å; Q440-K442 HydrophobicContact CB-CB 4.07Å; Q440-K442 PolarHBondContact O-N 3.39Å; Q440-K442 VanDerWaalsContact O-N 3.09Å
441N50.2Low51.2Low78 Ų7874.3 Ų74.342%0.41738%0.38SS..THydrogen-bonded Turntrans52.229.6-173.6-61.3-31.6000112.2F436 I437 P439F436-N441 HydrophobicContact CE2-CB 4.45Å; I437-N441 PolarHBondContact O-N 3.44Å; I437-N441 VanDerWaalsContact O-N 3.09Å; P439-N441 PolarHBondContact O-N 2.83Å
442K50.8Low50.1Low101 Ų10175.7 Ų75.744%0.43940%0.396SS..EExtended strand (participates in β ladder)trans-95.6123.4-175.6-171.9172.7-176.7171.30109.2I437 Q440 I444I437-K442 PolarHBondContact N-O 3.04Å; Q440-K442 HydrophobicContact CB-CB 4.07Å; Q440-K442 PolarHBondContact O-N 3.39Å; Q440-K442 VanDerWaalsContact O-N 3.09Å; K442-I444 HydrophobicContact CD-CG1 4.49Å; K442-I444 HydrophobicContact CG-CG1 4.36Å
443I54.7Low49.3Very low25 Ų2578.1 Ų78.113%0.12841%0.405CS..EExtended strand (participates in β ladder)trans-99.5116.4166.9-63.7179.4000107.6F167 T170 T435 F436 Y445F167-I443 HydrophobicContact CD2-CD1 3.66Å; F167-I443 HydrophobicContact CE2-CD1 4.14Å; T170-I443 VanDerWaalsContact CB-CD1 3.43Å; T170-I443 HydrophobicContact CG2-CD1 3.63Å; T170-I443 HydrophobicContact CG2-CG1 4.5Å; T170-I443 WeakPolarHBondContact OG1-CD1 3.21Å; T435-I443 WeakPolarHBondContact O-CA 3.38Å; F436-I443 HydrophobicContact CD2-CD1 4.4Å; F436-I443 HydrophobicContact CD2-CG1 3.74Å; I443-Y445 HydrophobicContact CB-CE2 4.16Å; I443-Y445 HydrophobicContact CG2-CD1 4.22Å; I443-Y445 HydrophobicContact CG2-CD2 3.99Å; I443-Y445 HydrophobicContact CG2-CE1 3.94Å; I443-Y445 HydrophobicContact CG2-CE2 3.7Å; I443-Y445 HydrophobicContact CG2-CG 4.25Å
444I54.3Low48.7Very low62 Ų6282.3 Ų82.332%0.31842%0.415SS..EExtended strand (participates in β ladder)trans-88.8109.2169-56.4173.8000106.4S434 T435 I437 K442S434-I444 WeakPolarHBondContact CA-O 3.42Å; T435-I444 PolarHBondContact N-O 3.34Å; T435-I444 VanDerWaalsContact N-O 3.16Å; T435-I444 PolarHBondContact O-N 3.27Å; I437-I444 HydrophobicContact CD1-CD1 3.76Å; I437-I444 HydrophobicContact CD1-CG1 4.48Å; K442-I444 HydrophobicContact CD-CG1 4.49Å; K442-I444 HydrophobicContact CG-CG1 4.36Å
445Y54Low48Very low116 Ų11690.1 Ų90.146%0.45546%0.455SS..EExtended strand (participates in β ladder)trans-82.4119166-62.6-82.9000108.1I443 Q447I443-Y445 HydrophobicContact CB-CE2 4.16Å; I443-Y445 HydrophobicContact CG2-CD1 4.22Å; I443-Y445 HydrophobicContact CG2-CD2 3.99Å; I443-Y445 HydrophobicContact CG2-CE1 3.94Å; I443-Y445 HydrophobicContact CG2-CE2 3.7Å; I443-Y445 HydrophobicContact CG2-CG 4.25Å; Y445-Q447 PolarHBondContact O-N 2.85Å
446N45Very low48.3Very low128 Ų12896 Ų9668%0.68448%0.481SS*.SBendtrans-78.4-4.3169.3-85.2-9.7000112.7N433N433-N446 HydrophobicContact CB-CB 4.26Å; N433-N446 PolarHBondContact O-N 3.22Å
447Q39.9Very low49.2Very low122 Ų12299.5 Ų99.557%0.5750%0.503SS*.SBendtrans-108.2127.8172.8-76.8-176.6-19.600111.3Y445 I449Y445-Q447 PolarHBondContact O-N 2.85Å; Q447-I449 VanDerWaalsContact C-N 3.27Å; Q447-I449 PolarHBondContact O-N 3.45Å
448S37.3Very low50.8Low94 Ų9499.1 Ų99.166%0.65750%0.501SS*.  trans-65.476.6172.451.30000111.3L450S448-L450 PolarHBondContact O-N 3.09Å
449I34.5Very low52.6Low137 Ų137100.1 Ų100.170%0.70351%0.507SS*.THydrogen-bonded Turntrans-76.272.4162.1-55.3173.8000107Q447Q447-I449 VanDerWaalsContact C-N 3.27Å; Q447-I449 PolarHBondContact O-N 3.45Å
450L41.2Very low54.8Low81 Ų8197.5 Ų97.542%0.42449%0.49SS..THydrogen-bonded Turntrans-168.323.2169.7-115139.2000114.4S448 R454S448-L450 PolarHBondContact O-N 3.09Å; L450-R454 WeakPolarHBondContact O-CD 3.46Å; L450-R454 WeakPolarHBondContact O-CG 2.93Å; L450-R454 PolarHBondContact O-NE 3.41Å
451E39.1Very low56.8Low135 Ų13592.1 Ų92.163%0.63147%0.465SS*.SBendtrans-93.2-26.6172.1-79.1-172.1159.300113.7
452S40.1Very low58.9Low117 Ų11788.4 Ų88.482%0.81845%0.445SS*.SBendtrans-78-22.8-176.265.40000114.8
453E44.8Very low60.9Low96 Ų9684.2 Ų84.245%0.44943%0.427SS..SBendtrans-100.5-2.9-179.9-72.6-175.1172.200114.1L455 Q456 P817E453-L455 PolarHBondContact O-N 2.96Å; E453-Q456 PolarHBondContact O-N 2.89Å; E453-P817 WeakPolarHBondContact OE2-CG 3.39Å
454R47.9Very low62.6Low165 Ų16587.7 Ų87.762%0.62344%0.443SS*.THydrogen-bonded Turntrans-62.4-14.1179.4-86.2178.8179.1-178.20.5115L450L450-R454 WeakPolarHBondContact O-CD 3.46Å; L450-R454 WeakPolarHBondContact O-CG 2.93Å; L450-R454 PolarHBondContact O-NE 3.41Å
455L44.2Very low64.2Low167 Ų16785.5 Ų85.587%0.87443%0.431SS*.THydrogen-bonded Turntrans-101.6-4.3-175.4-76.2160.9000114.5E453E453-L455 PolarHBondContact O-N 2.96Å
456Q65.8Low65.8Low151 Ų15181.4 Ų81.471%0.70642%0.419SS*.SBendtrans-94.7127.7173.8-80.4-176.5-16.200111E453 I458E453-Q456 PolarHBondContact O-N 2.89Å; Q456-I458 PolarHBondContact O-N 2.97Å
457T81.5Confident67.9Low78 Ų7875.3 Ų75.348%0.47939%0.387SS..PPolyproline II helixtrans-70.3120.9169.646.10000109.3A495T457-A495 HydrophobicContact CG2-CB 4.14Å
458I88.4Confident70.5Confident17 Ų1769.6 Ų69.69%0.08736%0.36CS..EExtended strand (participates in β ladder)trans-77.9126.8-178.7-64.4169.9000109.6Q456 V460 I494 A495 Y496 E497 D528 I529 L818Q456-I458 PolarHBondContact O-N 2.97Å; I458-V460 HydrophobicContact CG2-CG2 4.16Å; I458-I494 HydrophobicContact CD1-CB 4.06Å; I458-I494 HydrophobicContact CD1-CD1 3.84Å; I458-I494 HydrophobicContact CD1-CG1 4.46Å; I458-I494 HydrophobicContact CD1-CG2 4.32Å; I458-A495 PolarHBondContact N-O 2.89Å; I458-Y496 CarbonylContact O-C 3.55Å; I458-Y496 VanDerWaalsContact O-CA 3.23Å; I458-Y496 WeakPolarHBondContact O-CA 3.38Å; I458-E497 PolarHBondContact O-N 2.86Å; I458-D528 HydrophobicContact CG2-CB 3.74Å; I458-I529 HydrophobicContact CG2-CD1 3.65Å; I458-I529 HydrophobicContact CG2-CG1 3.85Å; I458-L818 HydrophobicContact CD1-CD1 3.67Å
459H91.4Very high73.1Confident65 Ų6565.2 Ų65.230%0.30133%0.329SS..EExtended strand (participates in β ladder)trans-88.1118.1177.9-69.5-85.3000111.2E497 V499 D528 I529H459-E497 IonicContact CE1-OE2 2.72Å; H459-E497 IonicContact ND1-OE2 3.27Å; H459-V499 HydrophobicContact CB-CG2 4.12Å; H459-D528 IonicContact CD2-OD2 3.52Å; H459-D528 PolarHBondContact N-OD2 2.95Å; H459-D528 PolarHBondContact O-N 3.21Å; H459-I529 PolarHBondContact O-N 3.31Å
460V93.9Very high75.8Confident0 Ų060.1 Ų60.10%031%0.305CS..EExtended strand (participates in β ladder)trans-111.7111.3-172.2-174.60000110.6I458 V462 F485 E497 F498 V499 I529 L531I458-V460 HydrophobicContact CG2-CG2 4.16Å; V460-V462 HydrophobicContact CG1-CG1 4.48Å; V460-F485 HydrophobicContact CG1-CE1 4.42Å; V460-F485 HydrophobicContact CG1-CZ 4.45Å; V460-F485 HydrophobicContact CG2-CE1 3.8Å; V460-F485 HydrophobicContact CG2-CE2 4.15Å; V460-F485 HydrophobicContact CG2-CZ 3.46Å; V460-F485 VanDerWaalsContact CG2-CZ 3.46Å; V460-E497 PolarHBondContact N-O 3.28Å; V460-F498 HydrophobicContact CB-CD1 3.89Å; V460-F498 HydrophobicContact CB-CE1 4.21Å; V460-F498 HydrophobicContact CG1-CD1 3.92Å; V460-F498 HydrophobicContact CG1-CE1 3.93Å; V460-F498 CarbonylContact O-C 3.55Å; V460-F498 WeakPolarHBondContact O-CA 3.1Å; V460-V499 PolarHBondContact O-N 3.48Å; V460-I529 CarbonylContact C-O 3.58Å; V460-I529 WeakPolarHBondContact CA-O 3.43Å; V460-I529 HydrophobicContact CG1-CB 4.39Å; V460-I529 HydrophobicContact CG1-CG2 4.41Å; V460-I529 HydrophobicContact CG2-CB 4.39Å; V460-L531 HydrophobicContact CG1-CD1 3.42Å; V460-L531 VanDerWaalsContact CG1-CD1 3.42Å; V460-L531 HydrophobicContact CG1-CD2 4.46Å; V460-L531 HydrophobicContact CG1-CG 3.57Å
461S94Very high78.2Confident0 Ų061.9 Ų61.90%031%0.306CS..EExtended strand (participates in β ladder)trans-75.5128.9178.5-165.30000111.9V499 I529 L531S461-V499 VanDerWaalsContact CA-O 3.31Å; S461-V499 WeakPolarHBondContact CA-O 3.3Å; S461-I529 PolarHBondContact N-O 2.84Å; S461-L531 PolarHBondContact O-N 3.24Å
462V94.2Very high80.4Confident0 Ų061.5 Ų61.50%031%0.307CS..EExtended strand (participates in β ladder)trans-135.9146.4-179.9-70.50000111.3V460 W477 F498 V499 Q501 L531V460-V462 HydrophobicContact CG1-CG1 4.48Å; V462-W477 HydrophobicContact CB-CD2 4.44Å; V462-W477 HydrophobicContact CB-CE3 4.47Å; V462-W477 HydrophobicContact CG2-CD2 3.69Å; V462-W477 HydrophobicContact CG2-CE3 4.11Å; V462-W477 HydrophobicContact CG2-CG 4.1Å; V462-W477 HydrophobicContact CG2-CH2 4.23Å; V462-W477 HydrophobicContact CG2-CZ2 3.83Å; V462-W477 HydrophobicContact CG2-CZ3 4.35Å; V462-F498 HydrophobicContact CG1-CD1 3.73Å; V462-F498 HydrophobicContact CG1-CE1 4.15Å; V462-F498 HydrophobicContact CG2-CB 4.19Å; V462-F498 HydrophobicContact CG2-CD1 4.34Å; V462-V499 PolarHBondContact N-O 3.45Å; V462-Q501 PolarHBondContact O-N 3.14Å; V462-L531 HydrophobicContact CG1-CB 4.14Å; V462-L531 HydrophobicContact CG1-CD1 4.11Å; V462-L531 HydrophobicContact CG1-CG 4.49Å
463I92.1Very high82.5Confident12 Ų1257.4 Ų57.46%0.06228%0.283CS..  trans-115.9140.5173.3-66.9167000108.4D465 A469 Q501 Y506 M518I463-D465 PolarHBondContact O-N 2.81Å; I463-A469 VanDerWaalsContact O-CB 3.26Å; I463-A469 WeakPolarHBondContact O-CB 3.09Å; I463-Q501 HydrophobicContact CD1-CB 4.35Å; I463-Q501 HydrophobicContact CD1-CG 4Å; I463-Q501 HydrophobicContact CG1-CB 3.64Å; I463-Q501 HydrophobicContact CG1-CG 3.82Å; I463-Y506 HydrophobicContact CB-CE1 4.29Å; I463-Y506 HydrophobicContact CD1-CD1 3.68Å; I463-Y506 HydrophobicContact CD1-CE1 3.7Å; I463-Y506 HydrophobicContact CD1-CG 4.09Å; I463-Y506 HydrophobicContact CG1-CE1 4.44Å; I463-M518 HydrophobicContact CB-CE 4.46Å; I463-M518 HydrophobicContact CD1-CE 3.75Å; I463-M518 HydrophobicContact CG1-CE 3.71Å
464H90Very high84.1Confident99 Ų9963.9 Ų63.946%0.45830%0.304SS..  trans-7097.3171.9-174.370.3000111.3R471 W477H464-R471 PolarHBondContact ND1-N 3.36Å; H464-W477 HydrophobicContact CB-CH2 4.12Å; H464-W477 HydrophobicContact CB-CZ3 4.01Å
465D88.4Confident85.5Confident15 Ų1561 Ų618%0.0830%0.301CS..BIsolated β-bridgetrans-147.892.5-179.6-168.616.1000109.9I463 Y468 A469 Y506 K785I463-D465 PolarHBondContact O-N 2.81Å; D465-Y468 HydrophobicContact CB-CD2 4.45Å; D465-Y468 WeakPolarHBondContact O-CA 3.5Å; D465-Y468 WeakPolarHBondContact O-CB 3.28Å; D465-Y468 PolarHBondContact O-N 3.17Å; D465-A469 CarbonylContact C-O 3.5Å; D465-A469 PolarHBondContact N-O 2.99Å; D465-A469 PolarHBondContact O-N 3.2Å; D465-A469 VanDerWaalsContact O-N 3.1Å; D465-Y506 VanDerWaalsContact CB-OH 3.25Å; D465-Y506 WeakPolarHBondContact CB-OH 3.44Å; D465-Y506 PolarHBondContact OD2-OH 2.84Å; D465-K785 IonicContact OD1-NZ 2.73Å; D465-K785 PolarHBondContact OD1-NZ 3.41Å; D465-K785 IonicContact OD2-NZ 2.73Å
466P88.6Confident87.6Confident31 Ų3160.2 Ų60.220%0.20129%0.29CS..THydrogen-bonded Turntrans-63.6139.8176.4-19.931.1000112.1V470 Y788P466-V470 HydrophobicContact CB-CG2 3.95Å; P466-V470 HydrophobicContact CG-CG2 4.09Å; P466-Y788 HydrophobicContact CB-CE1 4.22Å
467P89.6Confident89Confident0 Ų053.7 Ų53.70%026%0.259CS..THydrogen-bonded Turncis-90.66.73.836.2-36.9000115.2G479 Y480 Y788 W842 W843P467-G479 WeakPolarHBondContact O-CA 3.47Å; P467-Y480 PolarHBondContact O-N 2.85Å; P467-Y788 HydrophobicContact CB-CD1 4.37Å; P467-Y788 HydrophobicContact CB-CD2 3.62Å; P467-Y788 HydrophobicContact CB-CE2 3.84Å; P467-Y788 HydrophobicContact CB-CG 3.9Å; P467-Y788 HydrophobicContact CG-CD1 4.37Å; P467-Y788 HydrophobicContact CG-CD2 4.03Å; P467-Y788 HydrophobicContact CG-CG 3.85Å; P467-W842 HydrophobicContact CB-CE3 3.96Å; P467-W843 HydrophobicContact CG-CZ2 3.79Å
468Y93Very high89.5Confident1 Ų151.2 Ų51.20%0.00424%0.244CC..THydrogen-bonded Turntrans-73.5-47.6-171.4-51.3-61.4000112.7D465 G479 Y480 C481 P533 Y808D465-Y468 HydrophobicContact CB-CD2 4.45Å; D465-Y468 WeakPolarHBondContact O-CA 3.5Å; D465-Y468 WeakPolarHBondContact O-CB 3.28Å; D465-Y468 PolarHBondContact O-N 3.17Å; Y468-G479 CarbonylContact O-C 3.56Å; Y468-G479 WeakPolarHBondContact O-CA 3.48Å; Y468-Y480 PolarHBondContact O-N 2.84Å; Y468-C481 WeakPolarHBondContact O-CB 3.38Å; Y468-C481 PolarHBondContact O-N 2.9Å; Y468-C481 VanDerWaalsContact O-N 3.1Å; Y468-P533 HydrophobicContact CD1-CB 4.41Å; Y468-P533 HydrophobicContact CD2-CB 4.06Å; Y468-P533 HydrophobicContact CD2-CG 3.66Å; Y468-P533 HydrophobicContact CE1-CB 4.18Å; Y468-P533 HydrophobicContact CE2-CB 3.78Å; Y468-P533 HydrophobicContact CE2-CG 3.69Å; Y468-P533 HydrophobicContact CG-CB 4.35Å; Y468-P533 HydrophobicContact CG-CG 4.21Å; Y468-Y808 AromaticContact CE1-CE2 3.73Å; Y468-Y808 HydrophobicContact CE1-CE2 3.73Å; Y468-Y808 PolarHBondContact OH-OH 3.31Å
469A93.1Very high89.7Confident2 Ų250.4 Ų50.42%0.01724%0.24CC..BIsolated β-bridgetrans-148.4124.4176.800000110.4I463 D465 W477 T478 V482I463-A469 VanDerWaalsContact O-CB 3.26Å; I463-A469 WeakPolarHBondContact O-CB 3.09Å; D465-A469 CarbonylContact C-O 3.5Å; D465-A469 PolarHBondContact N-O 2.99Å; D465-A469 PolarHBondContact O-N 3.2Å; D465-A469 VanDerWaalsContact O-N 3.1Å; A469-W477 HydrophobicContact CB-CE3 4.3Å; A469-T478 CarbonylContact C-O 3.52Å; A469-T478 WeakPolarHBondContact CA-O 3.3Å; A469-V482 HydrophobicContact CB-CG2 3.81Å
470V91.2Very high89.9Confident30 Ų3047.5 Ų47.518%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-127.2132.5-173.2-174.60000108.3P466 W477 T478P466-V470 HydrophobicContact CB-CG2 3.95Å; P466-V470 HydrophobicContact CG-CG2 4.09Å; V470-W477 WeakPolarHBondContact O-CA 3.41Å; V470-T478 HydrophobicContact CB-CG2 3.91Å; V470-T478 HydrophobicContact CG1-CG2 4.48Å; V470-T478 PolarHBondContact N-O 3.37Å; V470-T478 PolarHBondContact O-N 2.8Å
471R90Very high89.9Confident118 Ų11847.5 Ų47.545%0.44523%0.226SC..EExtended strand (participates in β ladder)trans-89.6115.3-178-175178176.2165.14.2109.2H464 W477 E500H464-R471 PolarHBondContact ND1-N 3.36Å; R471-W477 HydrophobicContact CB-CE3 4.13Å; R471-W477 HydrophobicContact CB-CH2 3.91Å; R471-W477 HydrophobicContact CB-CZ2 4.34Å; R471-W477 HydrophobicContact CB-CZ3 3.8Å; R471-W477 HydrophobicContact CG-CH2 4.28Å; R471-W477 HydrophobicContact CG-CZ2 4.26Å; R471-E500 IonicContact CZ-OE2 2.75Å; R471-E500 VanDerWaalsContact NH1-CD 3.29Å; R471-E500 IonicContact NH1-OE1 3.58Å; R471-E500 PolarHBondContact NH1-OE1 2.89Å; R471-E500 IonicContact NH1-OE2 2.81Å; R471-E500 PolarHBondContact NH1-OE2 3.4Å; R471-E500 IonicContact NH2-OE2 2.74Å
472L86.5Confident90Very high127 Ų12747.5 Ų47.567%0.66523%0.226SC*.  trans-92.1-25.7177.2-75.6159.8000112.4K476 T478L472-K476 HydrophobicContact CB-CB 4.4Å; L472-K476 PolarHBondContact N-O 3.34Å; L472-T478 HydrophobicContact CD1-CG2 3.4Å; L472-T478 HydrophobicContact CD2-CG2 4.36Å; L472-T478 HydrophobicContact CG-CG2 3.74Å
473G83.8Confident90Very high31 Ų3148.7 Ų48.732%0.3223%0.232SC..SBendtrans-174.2-159.9-176.500000113.6N475 K476G473-N475 PolarHBondContact O-N 2.73Å; G473-K476 PolarHBondContact N-O 3.39Å
474R77.6Confident90.1Very high232 Ų23248.1 Ų48.188%0.87523%0.229SC*.SBendtrans-70.1114.8171-69.8-176.3-179.5174.90.1108.7K476R474-K476 PolarHBondContact O-N 2.99Å; R474-K476 VanDerWaalsContact O-N 3.17Å
475N78.9Confident90.4Very high105 Ų10543.4 Ų43.456%0.56121%0.207SC*.SBendtrans60.613.5-179.7-61.111000116.8G473G473-N475 PolarHBondContact O-N 2.73Å
476K88.8Confident90.7Very high150 Ų15045.2 Ų45.265%0.65222%0.215SC*.  trans-108.5119.8173.5-70.5-170.8178.2-174.70110.7L472 G473 R474L472-K476 HydrophobicContact CB-CB 4.4Å; L472-K476 PolarHBondContact N-O 3.34Å; G473-K476 PolarHBondContact N-O 3.39Å; R474-K476 PolarHBondContact O-N 2.99Å; R474-K476 VanDerWaalsContact O-N 3.17Å
477W93.7Very high91Very high15 Ų1545.9 Ų45.96%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-119.2148.1179.4-66.488.9000109.7V462 H464 A469 V470 R471 V482 F498 E500V462-W477 HydrophobicContact CB-CD2 4.44Å; V462-W477 HydrophobicContact CB-CE3 4.47Å; V462-W477 HydrophobicContact CG2-CD2 3.69Å; V462-W477 HydrophobicContact CG2-CE3 4.11Å; V462-W477 HydrophobicContact CG2-CG 4.1Å; V462-W477 HydrophobicContact CG2-CH2 4.23Å; V462-W477 HydrophobicContact CG2-CZ2 3.83Å; V462-W477 HydrophobicContact CG2-CZ3 4.35Å; H464-W477 HydrophobicContact CB-CH2 4.12Å; H464-W477 HydrophobicContact CB-CZ3 4.01Å; A469-W477 HydrophobicContact CB-CE3 4.3Å; V470-W477 WeakPolarHBondContact O-CA 3.41Å; R471-W477 HydrophobicContact CB-CE3 4.13Å; R471-W477 HydrophobicContact CB-CH2 3.91Å; R471-W477 HydrophobicContact CB-CZ2 4.34Å; R471-W477 HydrophobicContact CB-CZ3 3.8Å; R471-W477 HydrophobicContact CG-CH2 4.28Å; R471-W477 HydrophobicContact CG-CZ2 4.26Å; W477-V482 HydrophobicContact CB-CG1 4.12Å; W477-V482 HydrophobicContact CB-CG2 4.21Å; W477-F498 HydrophobicContact CB-CD2 4.13Å; W477-F498 HydrophobicContact CB-CE2 4.2Å; W477-F498 HydrophobicContact CB-CG 4.43Å; W477-F498 VanDerWaalsContact CD1-CB 3.45Å; W477-F498 AromaticContact CD1-CD2 3.71Å; W477-F498 AromaticContact CD1-CG 3.65Å; W477-F498 HydrophobicContact CG-CB 4.39Å; W477-F498 HydrophobicContact CG-CD2 4.26Å; W477-F498 HydrophobicContact CG-CG 4.25Å; W477-E500 HydrophobicContact CH2-CG 3.94Å; W477-E500 HydrophobicContact CZ2-CB 3.87Å; W477-E500 HydrophobicContact CZ2-CG 3.77Å
478T92.9Very high91.1Very high25 Ų2545.9 Ų45.915%0.15322%0.215CC..EExtended strand (participates in β ladder)trans-138.3176.5169.1-173.50000107.5A469 V470 L472 E483 W842A469-T478 CarbonylContact C-O 3.52Å; A469-T478 WeakPolarHBondContact CA-O 3.3Å; V470-T478 HydrophobicContact CB-CG2 3.91Å; V470-T478 HydrophobicContact CG1-CG2 4.48Å; V470-T478 PolarHBondContact N-O 3.37Å; V470-T478 PolarHBondContact O-N 2.8Å; L472-T478 HydrophobicContact CD1-CG2 3.4Å; L472-T478 HydrophobicContact CD2-CG2 4.36Å; L472-T478 HydrophobicContact CG-CG2 3.74Å; T478-E483 PolarHBondContact OG1-OE1 3.21Å; T478-W842 HydrophobicContact CG2-CH2 4.14Å
479G92.7Very high91Very high0 Ų045.9 Ų45.90%022%0.216CC..SBendtrans132.5161.4-175.500000110.3P467 Y468 C481 V482 E483 W842P467-G479 WeakPolarHBondContact O-CA 3.47Å; Y468-G479 CarbonylContact O-C 3.56Å; Y468-G479 WeakPolarHBondContact O-CA 3.48Å; G479-C481 PolarHBondContact O-N 2.94Å; G479-V482 PolarHBondContact O-N 3.17Å; G479-E483 WeakPolarHBondContact O-CB 3.33Å; G479-E483 WeakPolarHBondContact O-CG 3.37Å; G479-E483 PolarHBondContact O-N 3.42Å; G479-W842 VanDerWaalsContact C-CZ2 3.49Å
480Y94.1Very high90.9Very high4 Ų452.7 Ų52.72%0.01624%0.241CC..Hα-helixtrans-57.5-49.4-178.4176.6-108000112.1P467 Y468 V482 E483 V484 Y550 Y551 L838 R839 W842 W843P467-Y480 PolarHBondContact O-N 2.85Å; Y468-Y480 PolarHBondContact O-N 2.84Å; Y480-V482 VanDerWaalsContact C-N 3.29Å; Y480-V482 PolarHBondContact O-N 2.98Å; Y480-E483 PolarHBondContact O-N 2.86Å; Y480-V484 HydrophobicContact CD2-CG2 4.29Å; Y480-V484 HydrophobicContact CE1-CG2 4.31Å; Y480-V484 HydrophobicContact CE2-CG2 3.97Å; Y480-V484 VanDerWaalsContact O-CG2 3.24Å; Y480-V484 WeakPolarHBondContact O-CG2 3.35Å; Y480-V484 PolarHBondContact O-N 3.23Å; Y480-Y550 HydrophobicContact CD1-CE2 4.05Å; Y480-Y550 AromaticContact CE1-CD2 3.7Å; Y480-Y550 HydrophobicContact CE1-CD2 3.7Å; Y480-Y550 AromaticContact CE1-CE2 3.58Å; Y480-Y550 HydrophobicContact CE1-CE2 3.58Å; Y480-Y550 PolarHBondContact OH-O 3.3Å; Y480-Y551 AromaticContact CE1-CD2 3.79Å; Y480-Y551 HydrophobicContact CE1-CD2 3.79Å; Y480-Y551 AromaticContact CZ-CD2 3.99Å; Y480-L838 HydrophobicContact CD2-CB 4.13Å; Y480-L838 HydrophobicContact CE2-CB 3.9Å; Y480-R839 HydrophobicContact CE2-CB 4.3Å; Y480-W842 AromaticContact CD2-CD1 3.99Å; Y480-W843 AromaticContact CD1-CH2 3.6Å; Y480-W843 HydrophobicContact CD1-CH2 3.6Å; Y480-W843 AromaticContact CD1-CZ3 3.96Å; Y480-W843 HydrophobicContact CD1-CZ3 3.96Å; Y480-W843 AromaticContact CD2-CH2 3.93Å; Y480-W843 HydrophobicContact CD2-CH2 3.93Å; Y480-W843 AromaticContact CD2-CZ3 3.44Å; Y480-W843 HydrophobicContact CD2-CZ3 3.44Å; Y480-W843 VanDerWaalsContact CD2-CZ3 3.44Å; Y480-W843 HydrophobicContact CE1-CH2 4.16Å; Y480-W843 HydrophobicContact CE1-CZ3 4.3Å; Y480-W843 HydrophobicContact CE2-CH2 4.44Å; Y480-W843 AromaticContact CE2-CZ3 3.82Å; Y480-W843 HydrophobicContact CE2-CZ3 3.82Å; Y480-W843 AromaticContact CG-CH2 3.45Å; Y480-W843 HydrophobicContact CG-CH2 3.45Å; Y480-W843 VanDerWaalsContact CG-CH2 3.45Å; Y480-W843 AromaticContact CG-CZ3 3.5Å; Y480-W843 HydrophobicContact CG-CZ3 3.5Å; Y480-W843 VanDerWaalsContact CG-CZ3 3.5Å
481C94.8Very high90.7Very high0 Ų055.5 Ų55.50%025%0.249CC..Hα-helixtrans-67.8-33.2-178.3-57.30000111.9Y468 G479 F485 L531 Y550Y468-C481 WeakPolarHBondContact O-CB 3.38Å; Y468-C481 PolarHBondContact O-N 2.9Å; Y468-C481 VanDerWaalsContact O-N 3.1Å; G479-C481 PolarHBondContact O-N 2.94Å; C481-F485 WeakPolarHBondContact O-CB 3.47Å; C481-F485 PolarHBondContact O-N 3.19Å; C481-F485 VanDerWaalsContact O-N 3.17Å; C481-L531 HydrophobicContact CB-CB 4.49Å; C481-Y550 PolarHBondContact SG-OH 3.46Å
482V95.2Very high90.4Very high0 Ų052 Ų520%024%0.238CC..Hα-helixtrans-68.3-49.8176.9179.40000110.3A469 W477 G479 Y480 V484 F485 E486 F498A469-V482 HydrophobicContact CB-CG2 3.81Å; W477-V482 HydrophobicContact CB-CG1 4.12Å; W477-V482 HydrophobicContact CB-CG2 4.21Å; G479-V482 PolarHBondContact O-N 3.17Å; Y480-V482 VanDerWaalsContact C-N 3.29Å; Y480-V482 PolarHBondContact O-N 2.98Å; V482-V484 PolarHBondContact O-N 3Å; V482-F485 WeakPolarHBondContact O-CB 3.23Å; V482-F485 PolarHBondContact O-N 3.36Å; V482-F485 VanDerWaalsContact O-N 3.13Å; V482-E486 HydrophobicContact CG1-CG 4.31Å; V482-E486 WeakPolarHBondContact O-CG 3.47Å; V482-E486 PolarHBondContact O-N 3.08Å; V482-F498 HydrophobicContact CG1-CE1 4.21Å; V482-F498 HydrophobicContact CG1-CE2 4.24Å; V482-F498 HydrophobicContact CG1-CZ 3.62Å
483E94.9Very high90.3Very high25 Ų2552.5 Ų52.512%0.11724%0.242CC..Hα-helixtrans-65.6-38-178.5-70.4-175.9174.400112.4T478 G479 Y480 F485 E486 E487 L838 K841 W842T478-E483 PolarHBondContact OG1-OE1 3.21Å; G479-E483 WeakPolarHBondContact O-CB 3.33Å; G479-E483 WeakPolarHBondContact O-CG 3.37Å; G479-E483 PolarHBondContact O-N 3.42Å; Y480-E483 PolarHBondContact O-N 2.86Å; E483-F485 VanDerWaalsContact C-N 3.32Å; E483-F485 PolarHBondContact O-N 2.83Å; E483-E486 PolarHBondContact O-N 3.15Å; E483-E487 WeakPolarHBondContact O-CB 3.43Å; E483-E487 PolarHBondContact O-N 2.79Å; E483-L838 HydrophobicContact CB-CD2 4.03Å; E483-L838 WeakPolarHBondContact OE2-CD2 3.28Å; E483-K841 IonicContact OE1-NZ 2.67Å; E483-K841 PolarHBondContact OE1-NZ 3.5Å; E483-K841 IonicContact OE2-NZ 3.5Å; E483-K841 PolarHBondContact OE2-NZ 2.93Å; E483-W842 PolarHBondContact OE2-NE1 3.12Å
484V95.2Very high90.3Very high0 Ų052.4 Ų52.40%023%0.234CC..Hα-helixtrans-60.3-44.7172.2175.40000110.3Y480 V482 E487 I488 Y550 M810 L829 L835 L838Y480-V484 HydrophobicContact CD2-CG2 4.29Å; Y480-V484 HydrophobicContact CE1-CG2 4.31Å; Y480-V484 HydrophobicContact CE2-CG2 3.97Å; Y480-V484 VanDerWaalsContact O-CG2 3.24Å; Y480-V484 WeakPolarHBondContact O-CG2 3.35Å; Y480-V484 PolarHBondContact O-N 3.23Å; V482-V484 PolarHBondContact O-N 3Å; V484-E487 WeakPolarHBondContact O-CB 3.44Å; V484-E487 PolarHBondContact O-N 3.42Å; V484-I488 HydrophobicContact CG1-CD1 4.34Å; V484-I488 WeakPolarHBondContact O-CG1 3.19Å; V484-I488 PolarHBondContact O-N 2.83Å; V484-I488 VanDerWaalsContact O-N 3.17Å; V484-Y550 HydrophobicContact CG1-CD2 4.29Å; V484-Y550 HydrophobicContact CG1-CG 4.31Å; V484-Y550 HydrophobicContact CG2-CD2 4.42Å; V484-M810 HydrophobicContact CB-CE 4.16Å; V484-M810 HydrophobicContact CG1-CE 3.61Å; V484-L829 HydrophobicContact CG1-CD1 4.48Å; V484-L835 HydrophobicContact CG1-CD2 3.86Å; V484-L835 HydrophobicContact CG2-CD2 3.98Å; V484-L838 HydrophobicContact CB-CD1 4.46Å; V484-L838 HydrophobicContact CG2-CD1 3.68Å
485F95.6Very high90.7Very high0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-63.8-43.2176.9171.3-95.6000112.4V460 C481 V482 E483 E487 I488 A489 Y496 F498 I529 L531 M810 F822V460-F485 HydrophobicContact CG1-CE1 4.42Å; V460-F485 HydrophobicContact CG1-CZ 4.45Å; V460-F485 HydrophobicContact CG2-CE1 3.8Å; V460-F485 HydrophobicContact CG2-CE2 4.15Å; V460-F485 HydrophobicContact CG2-CZ 3.46Å; V460-F485 VanDerWaalsContact CG2-CZ 3.46Å; C481-F485 WeakPolarHBondContact O-CB 3.47Å; C481-F485 PolarHBondContact O-N 3.19Å; C481-F485 VanDerWaalsContact O-N 3.17Å; V482-F485 WeakPolarHBondContact O-CB 3.23Å; V482-F485 PolarHBondContact O-N 3.36Å; V482-F485 VanDerWaalsContact O-N 3.13Å; E483-F485 VanDerWaalsContact C-N 3.32Å; E483-F485 PolarHBondContact O-N 2.83Å; F485-E487 VanDerWaalsContact C-N 3.26Å; F485-E487 PolarHBondContact O-N 3.27Å; F485-I488 WeakPolarHBondContact O-CB 3.45Å; F485-I488 PolarHBondContact O-N 3.25Å; F485-A489 HydrophobicContact CE1-CB 4.21Å; F485-A489 HydrophobicContact CZ-CB 4.33Å; F485-A489 WeakPolarHBondContact O-CB 3.23Å; F485-A489 PolarHBondContact O-N 3.44Å; F485-Y496 HydrophobicContact CE1-CD1 4.06Å; F485-Y496 AromaticContact CE1-CD2 3.77Å; F485-Y496 HydrophobicContact CE1-CD2 3.77Å; F485-Y496 HydrophobicContact CE1-CE1 4.45Å; F485-Y496 HydrophobicContact CE1-CE2 4.18Å; F485-Y496 AromaticContact CE1-CG 3.71Å; F485-Y496 HydrophobicContact CE1-CG 3.71Å; F485-Y496 HydrophobicContact CZ-CG 4.18Å; F485-F498 HydrophobicContact CD1-CE1 4.25Å; F485-F498 HydrophobicContact CD1-CZ 4.35Å; F485-F498 HydrophobicContact CE1-CE1 4.45Å; F485-I529 HydrophobicContact CE2-CD1 3.73Å; F485-I529 HydrophobicContact CE2-CG2 4.4Å; F485-I529 HydrophobicContact CZ-CD1 4.41Å; F485-L531 HydrophobicContact CB-CD1 3.63Å; F485-L531 HydrophobicContact CB-CD2 3.91Å; F485-L531 HydrophobicContact CB-CG 4.44Å; F485-L531 HydrophobicContact CD1-CD1 4.04Å; F485-L531 HydrophobicContact CD2-CD1 4.33Å; F485-L531 HydrophobicContact CD2-CD2 4.02Å; F485-L531 HydrophobicContact CG-CD1 3.72Å; F485-L531 HydrophobicContact CG-CD2 4.1Å; F485-M810 HydrophobicContact CB-CE 4.04Å; F485-M810 HydrophobicContact CD2-SD 4.34Å; F485-F822 AromaticContact CD2-CE1 3.9Å; F485-F822 HydrophobicContact CD2-CE1 3.9Å; F485-F822 HydrophobicContact CD2-CZ 4.41Å; F485-F822 AromaticContact CE2-CE1 3.76Å; F485-F822 HydrophobicContact CE2-CE1 3.76Å; F485-F822 AromaticContact CE2-CZ 3.83Å; F485-F822 HydrophobicContact CE2-CZ 3.83Å
486E94.6Very high91.3Very high54 Ų5442.8 Ų42.825%0.25220%0.201SC..Hα-helixtrans-63-34.3178.1-69-171.1145.100112.1V482 E483 A489 R490 Y496 F498V482-E486 HydrophobicContact CG1-CG 4.31Å; V482-E486 WeakPolarHBondContact O-CG 3.47Å; V482-E486 PolarHBondContact O-N 3.08Å; E483-E486 PolarHBondContact O-N 3.15Å; E486-A489 PolarHBondContact O-N 3.24Å; E486-R490 VanDerWaalsContact O-CB 3.32Å; E486-R490 WeakPolarHBondContact O-CB 3.43Å; E486-R490 PolarHBondContact O-N 2.99Å; E486-Y496 WeakPolarHBondContact CG-OH 3.35Å; E486-Y496 PolarHBondContact OE1-OH 3.24Å; E486-F498 HydrophobicContact CG-CZ 4.45Å
487E94Very high91.5Very high44 Ų4439.8 Ų39.821%0.20619%0.19CC..Hα-helixtrans-65.2-42.5174.5-148.164.3-155.200111.9E483 V484 F485 R490 R491 L829 T834E483-E487 WeakPolarHBondContact O-CB 3.43Å; E483-E487 PolarHBondContact O-N 2.79Å; V484-E487 WeakPolarHBondContact O-CB 3.44Å; V484-E487 PolarHBondContact O-N 3.42Å; F485-E487 VanDerWaalsContact C-N 3.26Å; F485-E487 PolarHBondContact O-N 3.27Å; E487-R490 IonicContact OE1-CZ 2.64Å; E487-R490 IonicContact OE1-NH1 3.96Å; E487-R490 PolarHBondContact OE1-NH1 2.94Å; E487-R490 IonicContact OE2-CZ 2.79Å; E487-R490 IonicContact OE2-NH1 3.06Å; E487-R490 PolarHBondContact OE2-NH1 3.35Å; E487-R490 IonicContact OE2-NH2 3.31Å; E487-R490 PolarHBondContact OE2-NH2 3.11Å; E487-R491 WeakPolarHBondContact O-CG 3.45Å; E487-R491 PolarHBondContact O-N 2.92Å; E487-R491 VanDerWaalsContact O-N 3.17Å; E487-L829 HydrophobicContact CB-CD1 4.28Å; E487-L829 HydrophobicContact CB-CD2 4.01Å; E487-L829 HydrophobicContact CG-CD2 3.4Å; E487-L829 VanDerWaalsContact CG-CD2 3.4Å; E487-T834 HydrophobicContact CG-CG2 3.95Å
488I92.3Very high91.5Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-64-47.5173-64.5169.9000110V484 F485 R490 R491 L492 M810 F822 M825 I826 L829V484-I488 HydrophobicContact CG1-CD1 4.34Å; V484-I488 WeakPolarHBondContact O-CG1 3.19Å; V484-I488 PolarHBondContact O-N 2.83Å; V484-I488 VanDerWaalsContact O-N 3.17Å; F485-I488 WeakPolarHBondContact O-CB 3.45Å; F485-I488 PolarHBondContact O-N 3.25Å; I488-R490 VanDerWaalsContact C-N 3.27Å; I488-R490 PolarHBondContact O-N 2.67Å; I488-R491 PolarHBondContact O-N 3.06Å; I488-L492 HydrophobicContact CG2-CD1 3.76Å; I488-L492 HydrophobicContact CG2-CG 4.38Å; I488-L492 WeakPolarHBondContact O-CG 3.34Å; I488-L492 PolarHBondContact O-N 2.89Å; I488-M810 HydrophobicContact CD1-CE 3.8Å; I488-M810 HydrophobicContact CD1-SD 4.05Å; I488-F822 HydrophobicContact CD1-CD1 4.3Å; I488-F822 HydrophobicContact CG2-CD1 3.89Å; I488-F822 HydrophobicContact CG2-CD2 4.32Å; I488-F822 HydrophobicContact CG2-CE1 3.9Å; I488-F822 HydrophobicContact CG2-CE2 4.34Å; I488-F822 HydrophobicContact CG2-CG 4.1Å; I488-F822 HydrophobicContact CG2-CZ 4.13Å; I488-M825 HydrophobicContact CB-CB 4.39Å; I488-M825 HydrophobicContact CG1-CB 4.08Å; I488-M825 HydrophobicContact CG2-CB 3.92Å; I488-M825 HydrophobicContact CG2-CG 4.17Å; I488-I826 HydrophobicContact CD1-CD1 4.28Å; I488-I826 HydrophobicContact CD1-CG1 3.65Å; I488-L829 HydrophobicContact CD1-CD1 4.31Å; I488-L829 HydrophobicContact CG1-CD1 3.57Å
489A91.4Very high91.4Very high2 Ų241.1 Ų41.12%0.01720%0.197CC..Hα-helixtrans-61.6-37.6-177.700000112F485 E486 N493 I494 Y496F485-A489 HydrophobicContact CE1-CB 4.21Å; F485-A489 HydrophobicContact CZ-CB 4.33Å; F485-A489 WeakPolarHBondContact O-CB 3.23Å; F485-A489 PolarHBondContact O-N 3.44Å; E486-A489 PolarHBondContact O-N 3.24Å; A489-N493 WeakPolarHBondContact O-CA 3.37Å; A489-N493 PolarHBondContact O-N 3.12Å; A489-I494 HydrophobicContact CB-CD1 3.98Å; A489-I494 HydrophobicContact CB-CG1 3.7Å; A489-I494 PolarHBondContact O-N 2.99Å; A489-I494 VanDerWaalsContact O-N 3.11Å; A489-Y496 HydrophobicContact CB-CD1 3.83Å; A489-Y496 HydrophobicContact CB-CE1 3.81Å
490R90.2Very high91.3Very high145 Ų14544.7 Ų44.755%0.54721%0.214SC..Hα-helixtrans-68.2-42.1176.1-161.8-177.8-39.6102.67.2112.6E486 E487 I488 L492 N493E486-R490 VanDerWaalsContact O-CB 3.32Å; E486-R490 WeakPolarHBondContact O-CB 3.43Å; E486-R490 PolarHBondContact O-N 2.99Å; E487-R490 IonicContact OE1-CZ 2.64Å; E487-R490 IonicContact OE1-NH1 3.96Å; E487-R490 PolarHBondContact OE1-NH1 2.94Å; E487-R490 IonicContact OE2-CZ 2.79Å; E487-R490 IonicContact OE2-NH1 3.06Å; E487-R490 PolarHBondContact OE2-NH1 3.35Å; E487-R490 IonicContact OE2-NH2 3.31Å; E487-R490 PolarHBondContact OE2-NH2 3.11Å; I488-R490 VanDerWaalsContact C-N 3.27Å; I488-R490 PolarHBondContact O-N 2.67Å; R490-L492 VanDerWaalsContact C-N 3.35Å; R490-N493 PolarHBondContact O-N 3.17Å
491R86.8Confident91Very high89 Ų8944.9 Ų44.934%0.33622%0.215SC..Hα-helixtrans-68-34.5177.6-69.8178.3-176-137.7-0.4112.2E487 I488 M825 S828 D832E487-R491 WeakPolarHBondContact O-CG 3.45Å; E487-R491 PolarHBondContact O-N 2.92Å; E487-R491 VanDerWaalsContact O-N 3.17Å; I488-R491 PolarHBondContact O-N 3.06Å; R491-M825 HydrophobicContact CB-SD 3.64Å; R491-S828 PolarHBondContact NH1-OG 3.4Å; R491-D832 IonicContact CZ-OD2 3.62Å; R491-D832 VanDerWaalsContact CZ-OD2 3.27Å; R491-D832 IonicContact NH1-OD2 3.57Å; R491-D832 PolarHBondContact NH1-OD2 3.43Å; R491-D832 IonicContact NH2-OD2 3.77Å; R491-D832 PolarHBondContact NH2-OD2 2.98Å
492L84.3Confident90.3Very high43 Ų4350.7 Ų50.723%0.22525%0.251CS..Hα-helixtrans-85.6-10.5176.3-63.9177.8000113.9I488 R490 I494 A821 F822 M825I488-L492 HydrophobicContact CG2-CD1 3.76Å; I488-L492 HydrophobicContact CG2-CG 4.38Å; I488-L492 WeakPolarHBondContact O-CG 3.34Å; I488-L492 PolarHBondContact O-N 2.89Å; R490-L492 VanDerWaalsContact C-N 3.35Å; L492-I494 VanDerWaalsContact C-N 3.34Å; L492-I494 HydrophobicContact CB-CG1 4.29Å; L492-I494 HydrophobicContact CB-CG2 4Å; L492-I494 PolarHBondContact O-N 3.37Å; L492-A821 HydrophobicContact CD1-CB 4.23Å; L492-A821 HydrophobicContact CD2-CB 4.18Å; L492-F822 HydrophobicContact CD1-CD2 3.86Å; L492-F822 HydrophobicContact CD1-CE2 3.83Å; L492-M825 HydrophobicContact CD1-CG 4.03Å; L492-M825 HydrophobicContact CD2-CE 4.33Å; L492-M825 HydrophobicContact CD2-CG 3.65Å; L492-M825 HydrophobicContact CD2-SD 3.98Å; L492-M825 HydrophobicContact CG-CG 3.69Å; L492-M825 HydrophobicContact CG-SD 4.34Å
493N83.7Confident89.6Confident139 Ų13955.9 Ų55.974%0.74328%0.279SS*.THydrogen-bonded Turntrans52.647.2-174.9-165.639.5000112.9A489 R490A489-N493 WeakPolarHBondContact O-CA 3.37Å; A489-N493 PolarHBondContact O-N 3.12Å; R490-N493 PolarHBondContact O-N 3.17Å
494I84.1Confident89Confident29 Ų2956.9 Ų56.915%0.14930%0.295CS..  trans-98.8139.8179.753.9173.1000111.3I458 A489 L492 F822I458-I494 HydrophobicContact CD1-CB 4.06Å; I458-I494 HydrophobicContact CD1-CD1 3.84Å; I458-I494 HydrophobicContact CD1-CG1 4.46Å; I458-I494 HydrophobicContact CD1-CG2 4.32Å; A489-I494 HydrophobicContact CB-CD1 3.98Å; A489-I494 HydrophobicContact CB-CG1 3.7Å; A489-I494 PolarHBondContact O-N 2.99Å; A489-I494 VanDerWaalsContact O-N 3.11Å; L492-I494 VanDerWaalsContact C-N 3.34Å; L492-I494 HydrophobicContact CB-CG1 4.29Å; L492-I494 HydrophobicContact CB-CG2 4Å; L492-I494 PolarHBondContact O-N 3.37Å; I494-F822 HydrophobicContact CD1-CE2 4.06Å; I494-F822 HydrophobicContact CD1-CZ 3.88Å
495A87.2Confident88.4Confident53 Ų5358.9 Ų58.944%0.43831%0.306SS..  trans-85.4135.6172.500000110.2T457 I458T457-A495 HydrophobicContact CG2-CB 4.14Å; I458-A495 PolarHBondContact N-O 2.89Å
496Y91.4Very high88.1Confident81 Ų8160.9 Ų60.932%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-140.9156.1-17664-89.5000112.6I458 F485 E486 A489 F498I458-Y496 CarbonylContact O-C 3.55Å; I458-Y496 VanDerWaalsContact O-CA 3.23Å; I458-Y496 WeakPolarHBondContact O-CA 3.38Å; F485-Y496 HydrophobicContact CE1-CD1 4.06Å; F485-Y496 AromaticContact CE1-CD2 3.77Å; F485-Y496 HydrophobicContact CE1-CD2 3.77Å; F485-Y496 HydrophobicContact CE1-CE1 4.45Å; F485-Y496 HydrophobicContact CE1-CE2 4.18Å; F485-Y496 AromaticContact CE1-CG 3.71Å; F485-Y496 HydrophobicContact CE1-CG 3.71Å; F485-Y496 HydrophobicContact CZ-CG 4.18Å; E486-Y496 WeakPolarHBondContact CG-OH 3.35Å; E486-Y496 PolarHBondContact OE1-OH 3.24Å; A489-Y496 HydrophobicContact CB-CD1 3.83Å; A489-Y496 HydrophobicContact CB-CE1 3.81Å; Y496-F498 HydrophobicContact CD2-CD2 4.5Å; Y496-F498 HydrophobicContact CD2-CE1 4.44Å; Y496-F498 HydrophobicContact CD2-CE2 4.11Å; Y496-F498 HydrophobicContact CD2-CZ 4.04Å; Y496-F498 HydrophobicContact CE2-CD2 4.2Å; Y496-F498 HydrophobicContact CE2-CE1 4.38Å; Y496-F498 AromaticContact CE2-CE2 3.49Å; Y496-F498 HydrophobicContact CE2-CE2 3.49Å; Y496-F498 VanDerWaalsContact CE2-CE2 3.49Å; Y496-F498 AromaticContact CE2-CZ 3.56Å; Y496-F498 HydrophobicContact CE2-CZ 3.56Å
497E91.6Very high87.6Confident88 Ų8858.8 Ų58.841%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-133130.6172.4-176.7177.4-164.900110.3I458 H459 V460I458-E497 PolarHBondContact O-N 2.86Å; H459-E497 IonicContact CE1-OE2 2.72Å; H459-E497 IonicContact ND1-OE2 3.27Å; V460-E497 PolarHBondContact N-O 3.28Å
498F93.6Very high87.1Confident20 Ų2059.1 Ų59.19%0.08831%0.312CS..EExtended strand (participates in β ladder)trans-79.8129.6176.2-67.4-64.6000112V460 V462 W477 V482 F485 E486 Y496 L531V460-F498 HydrophobicContact CB-CD1 3.89Å; V460-F498 HydrophobicContact CB-CE1 4.21Å; V460-F498 HydrophobicContact CG1-CD1 3.92Å; V460-F498 HydrophobicContact CG1-CE1 3.93Å; V460-F498 CarbonylContact O-C 3.55Å; V460-F498 WeakPolarHBondContact O-CA 3.1Å; V462-F498 HydrophobicContact CG1-CD1 3.73Å; V462-F498 HydrophobicContact CG1-CE1 4.15Å; V462-F498 HydrophobicContact CG2-CB 4.19Å; V462-F498 HydrophobicContact CG2-CD1 4.34Å; W477-F498 HydrophobicContact CB-CD2 4.13Å; W477-F498 HydrophobicContact CB-CE2 4.2Å; W477-F498 HydrophobicContact CB-CG 4.43Å; W477-F498 VanDerWaalsContact CD1-CB 3.45Å; W477-F498 AromaticContact CD1-CD2 3.71Å; W477-F498 AromaticContact CD1-CG 3.65Å; W477-F498 HydrophobicContact CG-CB 4.39Å; W477-F498 HydrophobicContact CG-CD2 4.26Å; W477-F498 HydrophobicContact CG-CG 4.25Å; V482-F498 HydrophobicContact CG1-CE1 4.21Å; V482-F498 HydrophobicContact CG1-CE2 4.24Å; V482-F498 HydrophobicContact CG1-CZ 3.62Å; F485-F498 HydrophobicContact CD1-CE1 4.25Å; F485-F498 HydrophobicContact CD1-CZ 4.35Å; F485-F498 HydrophobicContact CE1-CE1 4.45Å; E486-F498 HydrophobicContact CG-CZ 4.45Å; Y496-F498 HydrophobicContact CD2-CD2 4.5Å; Y496-F498 HydrophobicContact CD2-CE1 4.44Å; Y496-F498 HydrophobicContact CD2-CE2 4.11Å; Y496-F498 HydrophobicContact CD2-CZ 4.04Å; Y496-F498 HydrophobicContact CE2-CD2 4.2Å; Y496-F498 HydrophobicContact CE2-CE1 4.38Å; Y496-F498 AromaticContact CE2-CE2 3.49Å; Y496-F498 HydrophobicContact CE2-CE2 3.49Å; Y496-F498 VanDerWaalsContact CE2-CE2 3.49Å; Y496-F498 AromaticContact CE2-CZ 3.56Å; Y496-F498 HydrophobicContact CE2-CZ 3.56Å; F498-L531 HydrophobicContact CE1-CD1 4.09Å
499V91.2Very high86.6Confident47 Ų4765.7 Ų65.729%0.28534%0.337SS..EExtended strand (participates in β ladder)trans-111.6116.2174.3-177.50000108.6H459 V460 S461 V462 Q501 T527H459-V499 HydrophobicContact CB-CG2 4.12Å; V460-V499 PolarHBondContact O-N 3.48Å; S461-V499 VanDerWaalsContact CA-O 3.31Å; S461-V499 WeakPolarHBondContact CA-O 3.3Å; V462-V499 PolarHBondContact N-O 3.45Å; V499-Q501 PolarHBondContact O-N 3.38Å; V499-T527 HydrophobicContact CB-CG2 4.16Å; V499-T527 HydrophobicContact CG1-CG2 4.24Å; V499-T527 HydrophobicContact CG2-CG2 4.42Å
500E90.4Very high86.2Confident76 Ų7669.2 Ų69.236%0.35536%0.355SS..EExtended strand (participates in β ladder)trans-70.9128176.5-172.7170.4-157.100110.4R471 W477 T502R471-E500 IonicContact CZ-OE2 2.75Å; R471-E500 VanDerWaalsContact NH1-CD 3.29Å; R471-E500 IonicContact NH1-OE1 3.58Å; R471-E500 PolarHBondContact NH1-OE1 2.89Å; R471-E500 IonicContact NH1-OE2 2.81Å; R471-E500 PolarHBondContact NH1-OE2 3.4Å; R471-E500 IonicContact NH2-OE2 2.74Å; W477-E500 HydrophobicContact CH2-CG 3.94Å; W477-E500 HydrophobicContact CZ2-CB 3.87Å; W477-E500 HydrophobicContact CZ2-CG 3.77Å; E500-T502 PolarHBondContact O-N 2.72Å
501Q88.8Confident85.7Confident7 Ų772.4 Ų72.43%0.03338%0.376CS..  trans-83.1110.5177171.156.4-15.600110.7V462 I463 V499 D503 G504 G517 Q521V462-Q501 PolarHBondContact O-N 3.14Å; I463-Q501 HydrophobicContact CD1-CB 4.35Å; I463-Q501 HydrophobicContact CD1-CG 4Å; I463-Q501 HydrophobicContact CG1-CB 3.64Å; I463-Q501 HydrophobicContact CG1-CG 3.82Å; V499-Q501 PolarHBondContact O-N 3.38Å; Q501-D503 PolarHBondContact NE2-OD2 2.68Å; Q501-D503 PolarHBondContact O-N 2.89Å; Q501-G504 PolarHBondContact O-N 2.97Å; Q501-G517 VanDerWaalsContact NE2-CA 3.34Å; Q501-Q521 VanDerWaalsContact OE1-OE1 3.11Å
502T80.3Confident85.5Confident122 Ų12273.2 Ų73.275%0.74839%0.387SS*.THydrogen-bonded Turntrans-69.7-29.1-170.852.80000114.2E500 G504E500-T502 PolarHBondContact O-N 2.72Å; T502-G504 VanDerWaalsContact C-N 3.27Å; T502-G504 PolarHBondContact O-N 2.8Å
503D80.4Confident85.3Confident110 Ų11073.1 Ų73.159%0.58840%0.396SS*.THydrogen-bonded Turntrans-76.7-15.1-175.3-57.4-22.3000112.8Q501 D505Q501-D503 PolarHBondContact NE2-OD2 2.68Å; Q501-D503 PolarHBondContact O-N 2.89Å; D503-D505 PolarHBondContact O-N 3.49Å
504G80.8Confident85.3Confident45 Ų4573.9 Ų73.946%0.46439%0.388SS..  trans65.1-2.8-175.900000115.9Q501 T502Q501-G504 PolarHBondContact O-N 2.97Å; T502-G504 VanDerWaalsContact C-N 3.27Å; T502-G504 PolarHBondContact O-N 2.8Å
505D84.5Confident85.4Confident42 Ų4273.5 Ų73.523%0.22539%0.385CS..  trans-92.8133177.2-172.522.5000111.4D503 G507 T508 S516 G517 M518 K709D503-D505 PolarHBondContact O-N 3.49Å; D505-G507 VanDerWaalsContact C-N 3.29Å; D505-G507 PolarHBondContact OD1-N 3.48Å; D505-G507 VanDerWaalsContact OD1-N 3.16Å; D505-T508 PolarHBondContact OD2-OG1 2.89Å; D505-S516 PolarHBondContact OD2-OG 3.09Å; D505-S516 VanDerWaalsContact OD2-OG 3.07Å; D505-G517 CarbonylContact O-C 3.53Å; D505-G517 WeakPolarHBondContact O-CA 3.24Å; D505-M518 PolarHBondContact O-N 2.98Å; D505-K709 IonicContact OD1-NZ 2.75Å
506Y87.6Confident85.5Confident43 Ų4372.4 Ų72.417%0.16937%0.374CS..SBendtrans-69.1-30.4172-68.9-72.4000111.6I463 D465 M518 I519 P533 L534I463-Y506 HydrophobicContact CB-CE1 4.29Å; I463-Y506 HydrophobicContact CD1-CD1 3.68Å; I463-Y506 HydrophobicContact CD1-CE1 3.7Å; I463-Y506 HydrophobicContact CD1-CG 4.09Å; I463-Y506 HydrophobicContact CG1-CE1 4.44Å; D465-Y506 VanDerWaalsContact CB-OH 3.25Å; D465-Y506 WeakPolarHBondContact CB-OH 3.44Å; D465-Y506 PolarHBondContact OD2-OH 2.84Å; Y506-M518 HydrophobicContact CD1-CE 4.24Å; Y506-M518 HydrophobicContact CD1-SD 4.46Å; Y506-M518 HydrophobicContact CE1-CE 4.32Å; Y506-M518 WeakPolarHBondContact O-CB 3.45Å; Y506-M518 PolarHBondContact O-N 3.34Å; Y506-I519 WeakPolarHBondContact O-CD1 3.29Å; Y506-I519 VanDerWaalsContact O-CG1 3.27Å; Y506-I519 WeakPolarHBondContact O-CG1 3.33Å; Y506-I519 PolarHBondContact O-N 3.33Å; Y506-P533 HydrophobicContact CE1-CG 4.13Å; Y506-P533 HydrophobicContact CE2-CG 3.81Å; Y506-P533 WeakPolarHBondContact OH-CD 3.42Å; Y506-P533 WeakPolarHBondContact OH-CG 3.46Å; Y506-L534 HydrophobicContact CD1-CD2 3.89Å; Y506-L534 HydrophobicContact CD1-CG 4.38Å; Y506-L534 HydrophobicContact CG-CD2 4.3Å
507G85.3Confident85.4Confident9 Ų968.7 Ų68.79%0.09336%0.361CS..  trans137.2137.9166.300000114.6D505 S516D505-G507 VanDerWaalsContact C-N 3.29Å; D505-G507 PolarHBondContact OD1-N 3.48Å; D505-G507 VanDerWaalsContact OD1-N 3.16Å; G507-S516 WeakPolarHBondContact CA-O 3.19Å
508T82.2Confident85.4Confident51 Ų5164.5 Ų64.531%0.31334%0.342SS..  trans-130.8144.2-177-48.60000109.4D505 L510 W515 S516 K709D505-T508 PolarHBondContact OD2-OG1 2.89Å; T508-L510 PolarHBondContact O-N 2.87Å; T508-W515 WeakPolarHBondContact O-CA 3.19Å; T508-S516 PolarHBondContact N-OG 2.75Å; T508-S516 PolarHBondContact O-N 3.35Å; T508-S516 PolarHBondContact O-OG 3.04Å; T508-K709 PolarHBondContact OG1-NZ 3.43Å
509R83.1Confident85.3Confident139 Ų13963.6 Ų63.653%0.52534%0.337SS..BIsolated β-bridgetrans-74.5119.5173.6-168.9176.1-178.3-178.8-1.1109.1W515 E539R509-W515 HydrophobicContact CB-CD2 4.14Å; R509-W515 HydrophobicContact CB-CE3 4.25Å; R509-W515 HydrophobicContact CB-CH2 3.98Å; R509-W515 HydrophobicContact CB-CZ2 3.85Å; R509-W515 HydrophobicContact CB-CZ3 4.17Å; R509-W515 HydrophobicContact CG-CZ2 4.18Å; R509-E539 IonicContact NH1-OE1 3.85Å; R509-E539 PolarHBondContact NH1-OE1 3.23Å; R509-E539 IonicContact NH1-OE2 2.72Å
510L83Confident85.3Confident76 Ų7661.5 Ų61.540%0.39833%0.326SS..  trans-82.3157.9173.7-60.8168.2000109.6T508 N512 G513 R514T508-L510 PolarHBondContact O-N 2.87Å; L510-N512 VanDerWaalsContact CB-OD1 3.29Å; L510-N512 WeakPolarHBondContact CB-OD1 3.43Å; L510-N512 PolarHBondContact O-N 3.37Å; L510-N512 VanDerWaalsContact O-N 3.15Å; L510-G513 PolarHBondContact O-N 3.17Å; L510-R514 WeakPolarHBondContact CB-O 3.42Å; L510-R514 PolarHBondContact N-O 2.8Å
511E78.5Confident85.3Confident211 Ų21159.9 Ų59.999%0.98632%0.318SS*.THydrogen-bonded Turntrans-58.5-28.7179-63.7-177.6172.200113.2G513E511-G513 PolarHBondContact O-N 3.04Å; E511-G513 VanDerWaalsContact O-N 3.12Å
512N82.9Confident85.5Confident106 Ų10659.6 Ų59.657%0.56732%0.317SS*.THydrogen-bonded Turntrans-735.2175.766.312.8000114.1L510 R514L510-N512 VanDerWaalsContact CB-OD1 3.29Å; L510-N512 WeakPolarHBondContact CB-OD1 3.43Å; L510-N512 PolarHBondContact O-N 3.37Å; L510-N512 VanDerWaalsContact O-N 3.15Å; N512-R514 PolarHBondContact O-N 2.94Å; N512-R514 VanDerWaalsContact OD1-CB 3.27Å; N512-R514 WeakPolarHBondContact OD1-CB 3.34Å; N512-R514 PolarHBondContact OD1-N 3.01Å
513G80.3Confident85.9Confident41 Ų4155.7 Ų55.742%0.42329%0.294SS..SBendtrans77.8-5.6-178.200000114.9L510 E511L510-G513 PolarHBondContact O-N 3.17Å; E511-G513 PolarHBondContact O-N 3.04Å; E511-G513 VanDerWaalsContact O-N 3.12Å
514R84.7Confident86.3Confident155 Ų15556.7 Ų56.759%0.58529%0.29SS*.  trans-83.8157.5173.7-64.1-178.1167.9161.5-3.3110.7L510 N512L510-R514 WeakPolarHBondContact CB-O 3.42Å; L510-R514 PolarHBondContact N-O 2.8Å; N512-R514 PolarHBondContact O-N 2.94Å; N512-R514 VanDerWaalsContact OD1-CB 3.27Å; N512-R514 WeakPolarHBondContact OD1-CB 3.34Å; N512-R514 PolarHBondContact OD1-N 3.01Å
515W86.6Confident86.6Confident21 Ų2161 Ų618%0.0830%0.296CS..BIsolated β-bridgetrans-100.8139174.5-7074.4000110.9T508 R509 I519 G520 E539 K540 I543T508-W515 WeakPolarHBondContact O-CA 3.19Å; R509-W515 HydrophobicContact CB-CD2 4.14Å; R509-W515 HydrophobicContact CB-CE3 4.25Å; R509-W515 HydrophobicContact CB-CH2 3.98Å; R509-W515 HydrophobicContact CB-CZ2 3.85Å; R509-W515 HydrophobicContact CB-CZ3 4.17Å; R509-W515 HydrophobicContact CG-CZ2 4.18Å; W515-I519 HydrophobicContact CB-CG2 4.16Å; W515-I519 HydrophobicContact CD2-CG2 4.14Å; W515-I519 HydrophobicContact CE3-CG2 4Å; W515-I519 HydrophobicContact CG-CG2 4.24Å; W515-G520 VanDerWaalsContact O-CA 3.31Å; W515-G520 WeakPolarHBondContact O-CA 3.41Å; W515-E539 HydrophobicContact CH2-CB 4.32Å; W515-E539 HydrophobicContact CZ2-CB 4.1Å; W515-K540 HydrophobicContact CH2-CG 3.72Å; W515-K540 HydrophobicContact CZ2-CG 4.44Å; W515-K540 HydrophobicContact CZ3-CG 3.85Å; W515-I543 HydrophobicContact CB-CD1 4.05Å; W515-I543 HydrophobicContact CD2-CD1 3.77Å; W515-I543 HydrophobicContact CG-CD1 3.4Å; W515-I543 VanDerWaalsContact CG-CD1 3.4Å
516S87.8Confident86.7Confident30 Ų3064.4 Ų64.421%0.2131%0.314CS..  trans-87174.416965.80000111D505 G507 T508 G520D505-S516 PolarHBondContact OD2-OG 3.09Å; D505-S516 VanDerWaalsContact OD2-OG 3.07Å; G507-S516 WeakPolarHBondContact CA-O 3.19Å; T508-S516 PolarHBondContact N-OG 2.75Å; T508-S516 PolarHBondContact O-N 3.35Å; T508-S516 PolarHBondContact O-OG 3.04Å; S516-G520 PolarHBondContact O-N 3.42Å
517G89.9Confident86.8Confident4 Ų462.4 Ų62.44%0.04131%0.307CS..Hα-helixtrans69.9-161.7169.500000114.5Q501 D505 I519 G520 Q521Q501-G517 VanDerWaalsContact NE2-CA 3.34Å; D505-G517 CarbonylContact O-C 3.53Å; D505-G517 WeakPolarHBondContact O-CA 3.24Å; G517-I519 VanDerWaalsContact C-N 3.35Å; G517-I519 PolarHBondContact O-N 3.32Å; G517-G520 WeakPolarHBondContact O-CA 3.5Å; G517-G520 PolarHBondContact O-N 3.18Å; G517-Q521 PolarHBondContact O-N 3.44Å; G517-Q521 VanDerWaalsContact O-N 3.13Å
518M92.2Very high87.1Confident0 Ų064.2 Ų64.20%031%0.314CS..Hα-helixtrans-56.7-45-178.7-174.3-174.8-69.600112.5I463 D505 Y506 G520 Q521 V522 G530 L531 L534 I811I463-M518 HydrophobicContact CB-CE 4.46Å; I463-M518 HydrophobicContact CD1-CE 3.75Å; I463-M518 HydrophobicContact CG1-CE 3.71Å; D505-M518 PolarHBondContact O-N 2.98Å; Y506-M518 HydrophobicContact CD1-CE 4.24Å; Y506-M518 HydrophobicContact CD1-SD 4.46Å; Y506-M518 HydrophobicContact CE1-CE 4.32Å; Y506-M518 WeakPolarHBondContact O-CB 3.45Å; Y506-M518 PolarHBondContact O-N 3.34Å; M518-G520 VanDerWaalsContact C-N 3.26Å; M518-G520 PolarHBondContact O-N 3.04Å; M518-Q521 PolarHBondContact O-N 3.31Å; M518-Q521 VanDerWaalsContact O-N 3.12Å; M518-V522 WeakPolarHBondContact O-CG2 3.39Å; M518-V522 PolarHBondContact O-N 3.39Å; M518-G530 VanDerWaalsContact SD-CA 3.52Å; M518-L531 WeakPolarHBondContact CE-O 3.37Å; M518-L534 HydrophobicContact SD-CD1 3.89Å; M518-L534 HydrophobicContact SD-CD2 4.48Å; M518-I811 HydrophobicContact CG-CD1 4.13Å; M518-I811 HydrophobicContact SD-CD1 4.35Å
519I91.2Very high87.7Confident0 Ų061.8 Ų61.80%030%0.299CS..Hα-helixtrans-58-41.4176-68.4158.3000111Y506 W515 G517 Q521 S523 K540 I543 V544 I811Y506-I519 WeakPolarHBondContact O-CD1 3.29Å; Y506-I519 VanDerWaalsContact O-CG1 3.27Å; Y506-I519 WeakPolarHBondContact O-CG1 3.33Å; Y506-I519 PolarHBondContact O-N 3.33Å; W515-I519 HydrophobicContact CB-CG2 4.16Å; W515-I519 HydrophobicContact CD2-CG2 4.14Å; W515-I519 HydrophobicContact CE3-CG2 4Å; W515-I519 HydrophobicContact CG-CG2 4.24Å; G517-I519 VanDerWaalsContact C-N 3.35Å; G517-I519 PolarHBondContact O-N 3.32Å; I519-Q521 VanDerWaalsContact C-N 3.34Å; I519-Q521 PolarHBondContact O-N 3.28Å; I519-S523 WeakPolarHBondContact O-CB 3.27Å; I519-S523 PolarHBondContact O-N 3.47Å; I519-K540 HydrophobicContact CD1-CD 3.46Å; I519-K540 VanDerWaalsContact CD1-CD 3.46Å; I519-K540 VanDerWaalsContact CD1-CE 3.46Å; I519-K540 HydrophobicContact CD1-CG 4.04Å; I519-I543 HydrophobicContact CG2-CD1 3.5Å; I519-I543 VanDerWaalsContact CG2-CD1 3.5Å; I519-I543 HydrophobicContact CG2-CG1 4.43Å; I519-V544 HydrophobicContact CG2-CG1 4.24Å; I519-V544 HydrophobicContact CG2-CG2 4.47Å; I519-I811 HydrophobicContact CG1-CD1 4.04Å
520G90.5Very high88.2Confident4 Ų455.2 Ų55.24%0.04127%0.274CS..Hα-helixtrans-63.8-35.617700000113.7W515 S516 G517 M518 R524W515-G520 VanDerWaalsContact O-CA 3.31Å; W515-G520 WeakPolarHBondContact O-CA 3.41Å; S516-G520 PolarHBondContact O-N 3.42Å; G517-G520 WeakPolarHBondContact O-CA 3.5Å; G517-G520 PolarHBondContact O-N 3.18Å; M518-G520 VanDerWaalsContact C-N 3.26Å; M518-G520 PolarHBondContact O-N 3.04Å; G520-R524 WeakPolarHBondContact O-CB 3.43Å; G520-R524 WeakPolarHBondContact O-CD 3.24Å; G520-R524 WeakPolarHBondContact O-CG 3.48Å; G520-R524 PolarHBondContact O-N 2.83Å
521Q91Very high88.8Confident42 Ų4251.6 Ų51.620%0.19626%0.255CS..Hα-helixtrans-74.3-44.7177.8-71.4-171.2-10.900112.6Q501 G517 M518 I519 R524 K525 N526Q501-Q521 VanDerWaalsContact OE1-OE1 3.11Å; G517-Q521 PolarHBondContact O-N 3.44Å; G517-Q521 VanDerWaalsContact O-N 3.13Å; M518-Q521 PolarHBondContact O-N 3.31Å; M518-Q521 VanDerWaalsContact O-N 3.12Å; I519-Q521 VanDerWaalsContact C-N 3.34Å; I519-Q521 PolarHBondContact O-N 3.28Å; Q521-R524 CarbonylContact O-C 3.57Å; Q521-R524 PolarHBondContact O-N 2.99Å; Q521-K525 PolarHBondContact O-N 2.76Å; Q521-N526 HydrophobicContact CB-CB 4.29Å; Q521-N526 PolarHBondContact O-N 3.42Å
522V91.9Very high89.4Confident0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-64.6-42177.71760000110.5M518 R524 K525 T527 V544 I811 L812 I813M518-V522 WeakPolarHBondContact O-CG2 3.39Å; M518-V522 PolarHBondContact O-N 3.39Å; V522-R524 VanDerWaalsContact C-N 3.25Å; V522-R524 PolarHBondContact O-N 3.17Å; V522-K525 PolarHBondContact O-N 3.13Å; V522-T527 WeakPolarHBondContact CA-O 3.43Å; V522-T527 WeakPolarHBondContact CG2-OG1 3.48Å; V522-V544 HydrophobicContact CB-CG1 4.3Å; V522-V544 HydrophobicContact CG1-CG1 4.08Å; V522-I811 HydrophobicContact CB-CD1 4.13Å; V522-I811 HydrophobicContact CG1-CD1 4.45Å; V522-I811 HydrophobicContact CG1-CG1 4.38Å; V522-I811 HydrophobicContact CG2-CD1 3.85Å; V522-I811 HydrophobicContact CG2-CG1 4.12Å; V522-L812 WeakPolarHBondContact CG1-O 3.26Å; V522-I813 HydrophobicContact CG1-CG2 4.31Å
523S90.1Very high89.7Confident40 Ų4037.2 Ų37.228%0.2819%0.186SC..Hα-helixtrans-60.8-33.6175.4-175.60000113I519 K525 I543I519-S523 WeakPolarHBondContact O-CB 3.27Å; I519-S523 PolarHBondContact O-N 3.47Å; S523-K525 VanDerWaalsContact C-N 3.32Å; S523-I543 PolarHBondContact OG-O 3.11Å
524R88.3Confident90.2Very high132 Ų13235.3 Ų35.350%0.49817%0.166SC..THydrogen-bonded Turntrans-84.8-1.3177.3-68.2175.2-156.3-15011.5113.9G520 Q521 V522 N526G520-R524 WeakPolarHBondContact O-CB 3.43Å; G520-R524 WeakPolarHBondContact O-CD 3.24Å; G520-R524 WeakPolarHBondContact O-CG 3.48Å; G520-R524 PolarHBondContact O-N 2.83Å; Q521-R524 CarbonylContact O-C 3.57Å; Q521-R524 PolarHBondContact O-N 2.99Å; V522-R524 VanDerWaalsContact C-N 3.25Å; V522-R524 PolarHBondContact O-N 3.17Å; R524-N526 PolarHBondContact O-N 2.68Å
525K86.5Confident90.3Very high136 Ų13629.5 Ų29.559%0.59115%0.148SC*.THydrogen-bonded Turntrans59.330.2-173.2-51-176.3175.4-169.30113.8Q521 V522 S523 T527 I813Q521-K525 PolarHBondContact O-N 2.76Å; V522-K525 PolarHBondContact O-N 3.13Å; S523-K525 VanDerWaalsContact C-N 3.32Å; K525-T527 VanDerWaalsContact C-N 3.31Å; K525-I813 HydrophobicContact CB-CG2 4.43Å; K525-I813 HydrophobicContact CG-CG2 4.09Å
526N87.1Confident90Very high112 Ų11231.9 Ų31.960%0.59916%0.162SC*.SBendtrans-77.7-26.6169.4-74.120.8000111.2Q521 R524Q521-N526 HydrophobicContact CB-CB 4.29Å; Q521-N526 PolarHBondContact O-N 3.42Å; R524-N526 PolarHBondContact O-N 2.68Å
527T90.6Very high89.6Confident2 Ų232.2 Ų32.21%0.01216%0.161CC..SBendtrans-135.6150.3172.249.20000107.6V499 V522 K525 I813V499-T527 HydrophobicContact CB-CG2 4.16Å; V499-T527 HydrophobicContact CG1-CG2 4.24Å; V499-T527 HydrophobicContact CG2-CG2 4.42Å; V522-T527 WeakPolarHBondContact CA-O 3.43Å; V522-T527 WeakPolarHBondContact CG2-OG1 3.48Å; K525-T527 VanDerWaalsContact C-N 3.31Å; T527-I813 WeakPolarHBondContact O-CG2 3.25Å
528D91.1Very high89Confident47 Ų4735.5 Ų35.525%0.25119%0.188SC..SBendtrans-89.4-35.4-173.9-60.9-50.7000111.8I458 H459 L812 I813I458-D528 HydrophobicContact CG2-CB 3.74Å; H459-D528 IonicContact CD2-OD2 3.52Å; H459-D528 PolarHBondContact N-OD2 2.95Å; H459-D528 PolarHBondContact O-N 3.21Å; D528-L812 CarbonylContact O-C 3.45Å; D528-L812 WeakPolarHBondContact O-CA 3.49Å; D528-I813 PolarHBondContact O-N 3.49Å
529I93.7Very high88.5Confident0 Ų039.5 Ų39.50%021%0.207CC..EExtended strand (participates in β ladder)trans-135.6142.9-174.9-54.8-174.8000109.1I458 H459 V460 S461 F485 L531 I811 L812 F822I458-I529 HydrophobicContact CG2-CD1 3.65Å; I458-I529 HydrophobicContact CG2-CG1 3.85Å; H459-I529 PolarHBondContact O-N 3.31Å; V460-I529 CarbonylContact C-O 3.58Å; V460-I529 WeakPolarHBondContact CA-O 3.43Å; V460-I529 HydrophobicContact CG1-CB 4.39Å; V460-I529 HydrophobicContact CG1-CG2 4.41Å; V460-I529 HydrophobicContact CG2-CB 4.39Å; S461-I529 PolarHBondContact N-O 2.84Å; F485-I529 HydrophobicContact CE2-CD1 3.73Å; F485-I529 HydrophobicContact CE2-CG2 4.4Å; F485-I529 HydrophobicContact CZ-CD1 4.41Å; I529-L531 HydrophobicContact CG2-CD2 4Å; I529-I811 CarbonylContact C-O 2.99Å; I529-I811 VanDerWaalsContact CA-O 3.27Å; I529-I811 WeakPolarHBondContact CA-O 3.45Å; I529-I811 WeakPolarHBondContact CG2-O 3.42Å; I529-L812 HydrophobicContact CG1-CG 4.19Å; I529-F822 HydrophobicContact CD1-CE1 3.81Å; I529-F822 HydrophobicContact CD1-CE2 4.31Å; I529-F822 HydrophobicContact CD1-CZ 3.47Å; I529-F822 VanDerWaalsContact CD1-CZ 3.47Å
530G94.5Very high88.3Confident0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-118.9132.4170.300000111.6M518 L534 I811M518-G530 VanDerWaalsContact SD-CA 3.52Å; G530-L534 WeakPolarHBondContact O-CD1 3.46Å; G530-I811 PolarHBondContact N-O 2.96Å; G530-I811 PolarHBondContact O-N 3.27Å
531L94.6Very high87.9Confident1 Ų142.7 Ų42.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-116.3134.4-179.7-56.7-179.8000111.5V460 S461 V462 C481 F485 F498 M518 I529 M810V460-L531 HydrophobicContact CG1-CD1 3.42Å; V460-L531 VanDerWaalsContact CG1-CD1 3.42Å; V460-L531 HydrophobicContact CG1-CD2 4.46Å; V460-L531 HydrophobicContact CG1-CG 3.57Å; S461-L531 PolarHBondContact O-N 3.24Å; V462-L531 HydrophobicContact CG1-CB 4.14Å; V462-L531 HydrophobicContact CG1-CD1 4.11Å; V462-L531 HydrophobicContact CG1-CG 4.49Å; C481-L531 HydrophobicContact CB-CB 4.49Å; F485-L531 HydrophobicContact CB-CD1 3.63Å; F485-L531 HydrophobicContact CB-CD2 3.91Å; F485-L531 HydrophobicContact CB-CG 4.44Å; F485-L531 HydrophobicContact CD1-CD1 4.04Å; F485-L531 HydrophobicContact CD2-CD1 4.33Å; F485-L531 HydrophobicContact CD2-CD2 4.02Å; F485-L531 HydrophobicContact CG-CD1 3.72Å; F485-L531 HydrophobicContact CG-CD2 4.1Å; F498-L531 HydrophobicContact CE1-CD1 4.09Å; M518-L531 WeakPolarHBondContact CE-O 3.37Å; I529-L531 HydrophobicContact CG2-CD2 4Å; L531-M810 HydrophobicContact CD2-CB 4.35Å; L531-M810 HydrophobicContact CD2-CE 4.28Å; L531-M810 HydrophobicContact CD2-CG 3.85Å; L531-M810 HydrophobicContact CD2-SD 3.84Å
532G91.4Very high87.4Confident1 Ų147.8 Ų47.81%0.0125%0.253CS..SBendtrans162.7-173.3176.800000112.5L534 Y550G532-L534 PolarHBondContact O-N 2.73Å; G532-Y550 PolarHBondContact O-OH 2.94Å; G532-Y550 VanDerWaalsContact O-OH 3.05Å
533P90.2Very high87Confident13 Ų1349.8 Ų49.88%0.08426%0.263CS..SBendtrans-68.458.916932.7-38000111.3Y468 Y506 V535 Y808Y468-P533 HydrophobicContact CD1-CB 4.41Å; Y468-P533 HydrophobicContact CD2-CB 4.06Å; Y468-P533 HydrophobicContact CD2-CG 3.66Å; Y468-P533 HydrophobicContact CE1-CB 4.18Å; Y468-P533 HydrophobicContact CE2-CB 3.78Å; Y468-P533 HydrophobicContact CE2-CG 3.69Å; Y468-P533 HydrophobicContact CG-CB 4.35Å; Y468-P533 HydrophobicContact CG-CG 4.21Å; Y506-P533 HydrophobicContact CE1-CG 4.13Å; Y506-P533 HydrophobicContact CE2-CG 3.81Å; Y506-P533 WeakPolarHBondContact OH-CD 3.42Å; Y506-P533 WeakPolarHBondContact OH-CG 3.46Å; P533-V535 PolarHBondContact O-N 3.24Å; P533-Y808 HydrophobicContact CB-CD1 4.05Å; P533-Y808 HydrophobicContact CB-CE1 3.48Å; P533-Y808 VanDerWaalsContact CB-CE1 3.48Å; P533-Y808 HydrophobicContact CB-CE2 4.11Å
534L90.4Very high86.9Confident2 Ų247.9 Ų47.91%0.0125%0.25CC..  trans-87.7110.3-176.1-70.3167.7000109.6Y506 M518 G530 G532 Y808 S809 I811Y506-L534 HydrophobicContact CD1-CD2 3.89Å; Y506-L534 HydrophobicContact CD1-CG 4.38Å; Y506-L534 HydrophobicContact CG-CD2 4.3Å; M518-L534 HydrophobicContact SD-CD1 3.89Å; M518-L534 HydrophobicContact SD-CD2 4.48Å; G530-L534 WeakPolarHBondContact O-CD1 3.46Å; G532-L534 PolarHBondContact O-N 2.73Å; L534-Y808 WeakPolarHBondContact O-CA 3.34Å; L534-S809 WeakPolarHBondContact CB-O 3.25Å; L534-S809 PolarHBondContact O-N 3.05Å; L534-I811 HydrophobicContact CB-CG2 4.49Å; L534-I811 HydrophobicContact CD1-CB 4.24Å; L534-I811 HydrophobicContact CD1-CD1 3.77Å; L534-I811 HydrophobicContact CD1-CG1 3.61Å; L534-I811 HydrophobicContact CD1-CG2 3.89Å; L534-I811 HydrophobicContact CD2-CD1 4.49Å
535V85.9Confident86.8Confident33 Ų3342.2 Ų42.220%0.223%0.229CC..BIsolated β-bridgetrans-80.1130.8179.5-173.80000110.9P533 D537 W806 Y807 Y808P533-V535 PolarHBondContact O-N 3.24Å; V535-D537 PolarHBondContact O-N 2.83Å; V535-W806 HydrophobicContact CG1-CB 3.66Å; V535-W806 HydrophobicContact CG1-CG 3.79Å; V535-W806 HydrophobicContact CG2-CG 4.17Å; V535-Y807 WeakPolarHBondContact CA-O 3.45Å; V535-Y808 HydrophobicContact CG2-CD1 4.36Å; V535-Y808 HydrophobicContact CG2-CE1 4.28Å
536L81.6Confident86.9Confident71 Ų7137 Ų3737%0.37221%0.206SC..  trans-60.1115.7170.7-179.267.5000109.9F546L536-F546 HydrophobicContact CD1-CB 3.63Å; L536-F546 HydrophobicContact CD1-CD1 4.09Å; L536-F546 HydrophobicContact CD1-CD2 3.69Å; L536-F546 HydrophobicContact CD1-CE2 4.34Å; L536-F546 HydrophobicContact CD1-CG 3.53Å
537D79.5Confident86.8Confident37 Ų3731.9 Ų31.920%0.19818%0.179CC..  trans-130.5140.8-178.4-171.610.9000109.7V535 E539 K540 S541 R713V535-D537 PolarHBondContact O-N 2.83Å; D537-E539 PolarHBondContact O-N 2.82Å; D537-K540 HydrophobicContact CB-CB 4.09Å; D537-K540 HydrophobicContact CB-CD 3.73Å; D537-K540 HydrophobicContact CB-CG 3.86Å; D537-K540 PolarHBondContact O-N 3.17Å; D537-S541 WeakPolarHBondContact O-CB 3.33Å; D537-S541 PolarHBondContact O-N 3.04Å; D537-R713 IonicContact OD2-NH1 2.7Å
538A76.9Confident86.6Confident73 Ų7333 Ų3360%0.60319%0.186SC*.THydrogen-bonded Turntrans-62.1-43.6-176.300000111.3S541A538-S541 PolarHBondContact O-N 3.01Å; A538-S541 PolarHBondContact O-OG 2.86Å
539E82Confident86.5Confident84 Ų8433 Ų3339%0.39319%0.189SC..THydrogen-bonded Turntrans-66-41.3178.8-63.5-163.3150.900112.5R509 W515 D537 S541 L542R509-E539 IonicContact NH1-OE1 3.85Å; R509-E539 PolarHBondContact NH1-OE1 3.23Å; R509-E539 IonicContact NH1-OE2 2.72Å; W515-E539 HydrophobicContact CH2-CB 4.32Å; W515-E539 HydrophobicContact CZ2-CB 4.1Å; D537-E539 PolarHBondContact O-N 2.82Å; E539-S541 VanDerWaalsContact C-N 3.29Å; E539-S541 PolarHBondContact O-N 3.41Å; E539-L542 WeakPolarHBondContact O-CB 3.36Å; E539-L542 PolarHBondContact O-N 2.76Å
540K85.7Confident86.3Confident28 Ų2833.2 Ų33.212%0.12219%0.19CC..G310 helixtrans-64.7-37.7177.3-62.7176.8-175.2177.50110.8W515 I519 D537 L542 I543 V544 F546W515-K540 HydrophobicContact CH2-CG 3.72Å; W515-K540 HydrophobicContact CZ2-CG 4.44Å; W515-K540 HydrophobicContact CZ3-CG 3.85Å; I519-K540 HydrophobicContact CD1-CD 3.46Å; I519-K540 VanDerWaalsContact CD1-CD 3.46Å; I519-K540 VanDerWaalsContact CD1-CE 3.46Å; I519-K540 HydrophobicContact CD1-CG 4.04Å; D537-K540 HydrophobicContact CB-CB 4.09Å; D537-K540 HydrophobicContact CB-CD 3.73Å; D537-K540 HydrophobicContact CB-CG 3.86Å; D537-K540 PolarHBondContact O-N 3.17Å; K540-L542 PolarHBondContact O-N 3.05Å; K540-L542 VanDerWaalsContact O-N 3.09Å; K540-I543 WeakPolarHBondContact O-CG1 3.49Å; K540-I543 PolarHBondContact O-N 3.27Å; K540-V544 HydrophobicContact CB-CG2 4.45Å; K540-V544 WeakPolarHBondContact O-CG2 3.42Å; K540-V544 PolarHBondContact O-N 2.63Å; K540-V544 VanDerWaalsContact O-N 3.09Å; K540-F546 HydrophobicContact CB-CE2 3.62Å; K540-F546 HydrophobicContact CB-CZ 3.64Å; K540-F546 HydrophobicContact CD-CZ 4.07Å
541S82.9Confident86.1Confident43 Ų4333.7 Ų33.730%0.30119%0.192SC..G310 helixtrans-65-12.4-179.5750000114.3D537 A538 E539D537-S541 WeakPolarHBondContact O-CB 3.33Å; D537-S541 PolarHBondContact O-N 3.04Å; A538-S541 PolarHBondContact O-N 3.01Å; A538-S541 PolarHBondContact O-OG 2.86Å; E539-S541 VanDerWaalsContact C-N 3.29Å; E539-S541 PolarHBondContact O-N 3.41Å
542L80.9Confident85.1Confident149 Ų14939.3 Ų39.378%0.7822%0.218SC*.G310 helixtrans-78.4-19.6173.5-62.8175.1000113.2E539 K540E539-L542 WeakPolarHBondContact O-CB 3.36Å; E539-L542 PolarHBondContact O-N 2.76Å; K540-L542 PolarHBondContact O-N 3.05Å; K540-L542 VanDerWaalsContact O-N 3.09Å
543I83.1Confident84.3Confident41 Ų4141.3 Ų41.321%0.2123%0.232CC..THydrogen-bonded Turntrans-124-17-171.659.6149.6000114.8W515 I519 S523 K540 P814W515-I543 HydrophobicContact CB-CD1 4.05Å; W515-I543 HydrophobicContact CD2-CD1 3.77Å; W515-I543 HydrophobicContact CG-CD1 3.4Å; W515-I543 VanDerWaalsContact CG-CD1 3.4Å; I519-I543 HydrophobicContact CG2-CD1 3.5Å; I519-I543 VanDerWaalsContact CG2-CD1 3.5Å; I519-I543 HydrophobicContact CG2-CG1 4.43Å; S523-I543 PolarHBondContact OG-O 3.11Å; K540-I543 WeakPolarHBondContact O-CG1 3.49Å; K540-I543 PolarHBondContact O-N 3.27Å; I543-P814 WeakPolarHBondContact O-CB 3.42Å
544V87.1Confident84.1Confident1 Ų140.7 Ų40.71%0.00623%0.228CC..SBendtrans-138.3152.1175.4-64.10000109.2I519 V522 K540 F546 I811I519-V544 HydrophobicContact CG2-CG1 4.24Å; I519-V544 HydrophobicContact CG2-CG2 4.47Å; V522-V544 HydrophobicContact CB-CG1 4.3Å; V522-V544 HydrophobicContact CG1-CG1 4.08Å; K540-V544 HydrophobicContact CB-CG2 4.45Å; K540-V544 WeakPolarHBondContact O-CG2 3.42Å; K540-V544 PolarHBondContact O-N 2.63Å; K540-V544 VanDerWaalsContact O-N 3.09Å; V544-F546 HydrophobicContact CG2-CD2 4.37Å; V544-F546 HydrophobicContact CG2-CE2 3.77Å; V544-F546 HydrophobicContact CG2-CZ 4.15Å; V544-I811 HydrophobicContact CG2-CB 4.37Å; V544-I811 HydrophobicContact CG2-CG2 4.11Å
545D86.2Confident84Confident13 Ų1340.6 Ų40.67%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-88.9137.5175.2-69.8-7.1000109.6P174 I811 L812 R815 S816P174-D545 HydrophobicContact CG-CB 4.32Å; P174-D545 WeakPolarHBondContact CG-OD2 3.28Å; D545-I811 CarbonylContact O-C 3.49Å; D545-I811 VanDerWaalsContact O-CA 3.29Å; D545-I811 WeakPolarHBondContact O-CA 2.93Å; D545-L812 HydrophobicContact CB-CB 4.39Å; D545-L812 PolarHBondContact N-O 3.34Å; D545-L812 PolarHBondContact O-N 2.83Å; D545-R815 PolarHBondContact OD1-N 2.69Å; D545-R815 VanDerWaalsContact OD1-N 3.09Å; D545-R815 WeakPolarHBondContact OD2-CA 3.5Å; D545-R815 PolarHBondContact OD2-N 3.33Å; D545-S816 PolarHBondContact OD2-N 2.99Å
546F89.2Confident84.3Confident25 Ų2539 Ų3911%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-104.5141.1172.5-73.5-92.3000110.3L536 K540 V544 M810 I811L536-F546 HydrophobicContact CD1-CB 3.63Å; L536-F546 HydrophobicContact CD1-CD1 4.09Å; L536-F546 HydrophobicContact CD1-CD2 3.69Å; L536-F546 HydrophobicContact CD1-CE2 4.34Å; L536-F546 HydrophobicContact CD1-CG 3.53Å; K540-F546 HydrophobicContact CB-CE2 3.62Å; K540-F546 HydrophobicContact CB-CZ 3.64Å; K540-F546 HydrophobicContact CD-CZ 4.07Å; V544-F546 HydrophobicContact CG2-CD2 4.37Å; V544-F546 HydrophobicContact CG2-CE2 3.77Å; V544-F546 HydrophobicContact CG2-CZ 4.15Å; F546-M810 WeakPolarHBondContact CA-O 3.34Å; F546-I811 HydrophobicContact CD1-CG2 3.55Å; F546-I811 HydrophobicContact CE1-CG2 3.27Å; F546-I811 HydrophobicContact CE2-CG2 4.39Å; F546-I811 HydrophobicContact CG-CG2 4.25Å; F546-I811 HydrophobicContact CZ-CG2 3.74Å
547T86.4Confident84.7Confident5 Ų535.9 Ų35.93%0.03120%0.201CC..PPolyproline II helixtrans-71166.9164.166.70000110.9S809 M810 L812 F822 N823 I826T547-S809 WeakPolarHBondContact O-CB 3.43Å; T547-S809 PolarHBondContact O-OG 3.37Å; T547-M810 HydrophobicContact CG2-CB 3.85Å; T547-M810 PolarHBondContact N-O 2.94Å; T547-M810 PolarHBondContact OG1-N 3Å; T547-L812 HydrophobicContact CG2-CD1 3.31Å; T547-F822 HydrophobicContact CG2-CB 3.99Å; T547-F822 HydrophobicContact CG2-CD1 4.39Å; T547-N823 WeakPolarHBondContact CA-OD1 3.25Å; T547-N823 WeakPolarHBondContact CB-OD1 3.49Å; T547-I826 HydrophobicContact CG2-CD1 4.24Å
548V86.3Confident85.2Confident25 Ų2534.3 Ų34.315%0.15219%0.193CC..PPolyproline II helixtrans-53.8146.9160.6-61.30000109.4Y550 N823 I826 Y827V548-Y550 PolarHBondContact O-N 3.03Å; V548-N823 HydrophobicContact CG1-CB 4.02Å; V548-N823 HydrophobicContact CG2-CB 4.1Å; V548-N823 PolarHBondContact N-OD1 3.32Å; V548-I826 HydrophobicContact CG2-CB 3.74Å; V548-I826 HydrophobicContact CG2-CD1 3.85Å; V548-I826 HydrophobicContact CG2-CG1 4.41Å; V548-I826 HydrophobicContact CG2-CG2 3.7Å; V548-Y827 HydrophobicContact CG1-CE1 4.47Å; V548-Y827 HydrophobicContact CG1-CE2 4.04Å; V548-Y827 VanDerWaalsContact CG1-OH 3.3Å; V548-Y827 WeakPolarHBondContact CG1-OH 3.47Å; V548-Y827 HydrophobicContact CG2-CE1 4.41Å; V548-Y827 HydrophobicContact CG2-CE2 4.45Å
549P88Confident85.9Confident47 Ų4730.9 Ų30.931%0.30516%0.164SC..PPolyproline II helixtrans-67.7136.4-177.128.7-35.1000110.8Y807 Y808 S809P549-Y807 HydrophobicContact CB-CD1 4.27Å; P549-Y807 HydrophobicContact CB-CG 4.24Å; P549-Y807 HydrophobicContact CG-CD1 4.36Å; P549-Y807 HydrophobicContact CG-CG 4.47Å; P549-Y808 CarbonylContact C-O 3.57Å; P549-Y808 WeakPolarHBondContact CA-O 3.21Å; P549-S809 WeakPolarHBondContact CA-OG 3.33Å
550Y90.1Very high86.1Confident6 Ų627.5 Ų27.52%0.02415%0.15CC..SBendtrans-103.34.117563.3-92.6000112Y480 C481 V484 G532 V548 Y808 M810Y480-Y550 HydrophobicContact CD1-CE2 4.05Å; Y480-Y550 AromaticContact CE1-CD2 3.7Å; Y480-Y550 HydrophobicContact CE1-CD2 3.7Å; Y480-Y550 AromaticContact CE1-CE2 3.58Å; Y480-Y550 HydrophobicContact CE1-CE2 3.58Å; Y480-Y550 PolarHBondContact OH-O 3.3Å; C481-Y550 PolarHBondContact SG-OH 3.46Å; V484-Y550 HydrophobicContact CG1-CD2 4.29Å; V484-Y550 HydrophobicContact CG1-CG 4.31Å; V484-Y550 HydrophobicContact CG2-CD2 4.42Å; G532-Y550 PolarHBondContact O-OH 2.94Å; G532-Y550 VanDerWaalsContact O-OH 3.05Å; V548-Y550 PolarHBondContact O-N 3.03Å; Y550-Y808 PolarHBondContact N-O 3.09Å; Y550-M810 HydrophobicContact CD1-CE 4.22Å; Y550-M810 HydrophobicContact CD1-CG 4.06Å; Y550-M810 HydrophobicContact CE1-CE 4.29Å; Y550-M810 HydrophobicContact CE1-CG 3.73Å
551Y89.1Confident86Confident10 Ų1029 Ų294%0.03916%0.157CC..EExtended strand (participates in β ladder)trans-144.7113.2174.6-164.6-82.7000110.4Y480 S553 V554 P784 Y808 R839 W843Y480-Y551 AromaticContact CE1-CD2 3.79Å; Y480-Y551 HydrophobicContact CE1-CD2 3.79Å; Y480-Y551 AromaticContact CZ-CD2 3.99Å; Y551-S553 WeakPolarHBondContact CE1-O 3.14Å; Y551-V554 HydrophobicContact CD1-CG2 3.43Å; Y551-V554 VanDerWaalsContact CD1-CG2 3.43Å; Y551-V554 HydrophobicContact CE1-CG2 3.77Å; Y551-P784 HydrophobicContact CD1-CG 4.45Å; Y551-P784 HydrophobicContact CE1-CB 4.47Å; Y551-P784 HydrophobicContact CE1-CG 3.6Å; Y551-Y808 HydrophobicContact CD1-CD2 4.2Å; Y551-Y808 HydrophobicContact CG-CD2 4.17Å; Y551-Y808 PolarHBondContact O-N 3.09Å; Y551-R839 HydrophobicContact CE2-CG 4.36Å; Y551-W843 HydrophobicContact CE2-CH2 4.22Å; Y551-W843 HydrophobicContact CE2-CZ3 4.3Å
552E74.7Confident85.5Confident119 Ų11928.6 Ų28.656%0.55615%0.151SC*.EExtended strand (participates in β ladder)trans-85.1-9-163-64.5-161.1135.800116.5Y807E552-Y807 HydrophobicContact CB-CE1 4.34Å; E552-Y807 WeakPolarHBondContact O-CD1 3.45Å; E552-Y807 WeakPolarHBondContact O-CE1 3.38Å
553S75.2Confident84.6Confident43 Ų4326.2 Ų26.230%0.30114%0.139SC..EExtended strand (participates in β ladder)trans-150.975.3-163.1-97.80000113.4Y551 R802Y551-S553 WeakPolarHBondContact CE1-O 3.14Å; S553-R802 PolarHBondContact OG-NH1 2.95Å
554V84.5Confident83.2Confident0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-107140.7174.4-166.70000110Y551 E782 P784 S805 W806 Y808Y551-V554 HydrophobicContact CD1-CG2 3.43Å; Y551-V554 VanDerWaalsContact CD1-CG2 3.43Å; Y551-V554 HydrophobicContact CE1-CG2 3.77Å; V554-E782 HydrophobicContact CG1-CB 4.4Å; V554-E782 HydrophobicContact CG1-CG 4.31Å; V554-P784 HydrophobicContact CG1-CG 4.14Å; V554-P784 HydrophobicContact CG2-CG 4.21Å; V554-S805 CarbonylContact O-C 3.44Å; V554-S805 VanDerWaalsContact O-CA 3.25Å; V554-S805 WeakPolarHBondContact O-CA 3.32Å; V554-W806 HydrophobicContact CB-CD2 4.47Å; V554-W806 HydrophobicContact CB-CG 4.18Å; V554-W806 VanDerWaalsContact CB-O 3.31Å; V554-W806 WeakPolarHBondContact CB-O 3.37Å; V554-W806 HydrophobicContact CG1-CD2 4.47Å; V554-W806 HydrophobicContact CG1-CZ2 4.22Å; V554-W806 PolarHBondContact N-O 3.02Å; V554-W806 PolarHBondContact O-N 3.38Å; V554-Y808 HydrophobicContact CB-CE1 4.35Å; V554-Y808 HydrophobicContact CG1-CE1 3.9Å; V554-Y808 HydrophobicContact CG1-CE2 4.28Å; V554-Y808 VanDerWaalsContact CG1-OH 3.3Å; V554-Y808 WeakPolarHBondContact CG1-OH 3.5Å; V554-Y808 HydrophobicContact CG2-CD1 4.03Å; V554-Y808 HydrophobicContact CG2-CD2 3.79Å; V554-Y808 HydrophobicContact CG2-CE1 3.85Å; V554-Y808 HydrophobicContact CG2-CE2 3.58Å; V554-Y808 HydrophobicContact CG2-CG 4Å
555G89.8Confident81.5Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-160.9174.8168.800000109.8E782 T783 G804G555-E782 CarbonylContact O-C 3.53Å; G555-E782 WeakPolarHBondContact O-CA 3.46Å; G555-T783 WeakPolarHBondContact O-CB 3.46Å; G555-T783 PolarHBondContact O-N 3.18Å; G555-T783 PolarHBondContact O-OG1 2.94Å; G555-G804 WeakPolarHBondContact CA-O 3.36Å
556I91.4Very high79.9Confident0 Ų039.6 Ų39.60%021%0.206CC..EExtended strand (participates in β ladder)trans-86135.4175.2-76.4152.5000110.3E707 F710 F711 F780 M781 R802 I803 W806I556-E707 HydrophobicContact CD1-CB 4.09Å; I556-E707 HydrophobicContact CD1-CG 4.05Å; I556-E707 HydrophobicContact CG1-CB 4.28Å; I556-E707 HydrophobicContact CG1-CG 3.74Å; I556-F710 HydrophobicContact CD1-CB 4.04Å; I556-F710 HydrophobicContact CD1-CD1 3.25Å; I556-F710 HydrophobicContact CD1-CD2 4.42Å; I556-F710 HydrophobicContact CD1-CE1 3.67Å; I556-F710 HydrophobicContact CD1-CG 3.66Å; I556-F710 HydrophobicContact CD1-CZ 4.41Å; I556-F711 HydrophobicContact CD1-CE2 4.23Å; I556-F711 HydrophobicContact CD1-CZ 4.38Å; I556-F711 HydrophobicContact CG2-CE2 4.36Å; I556-F711 HydrophobicContact CG2-CZ 4.1Å; I556-F780 HydrophobicContact CG2-CB 3.85Å; I556-F780 HydrophobicContact CG2-CD1 3.74Å; I556-F780 HydrophobicContact CG2-CG 4.25Å; I556-M781 CarbonylContact C-O 3.49Å; I556-M781 WeakPolarHBondContact CA-O 3.38Å; I556-R802 CarbonylContact O-C 3.53Å; I556-R802 WeakPolarHBondContact O-CA 3.31Å; I556-I803 HydrophobicContact CB-CB 4.27Å; I556-I803 HydrophobicContact CG2-CD1 4.48Å; I556-I803 PolarHBondContact N-O 3.37Å; I556-I803 PolarHBondContact O-N 3.48Å; I556-W806 HydrophobicContact CB-CH2 4.35Å; I556-W806 HydrophobicContact CD1-CH2 3.7Å; I556-W806 HydrophobicContact CD1-CZ2 4.47Å; I556-W806 HydrophobicContact CG1-CH2 3.64Å; I556-W806 HydrophobicContact CG1-CZ2 4.19Å
557T90.7Very high78.2Confident5 Ų543.3 Ų43.33%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-124.1163.2173.7-167.80000110.5V559 F780 M781 A786T557-V559 HydrophobicContact CG2-CG2 4.22Å; T557-F780 WeakPolarHBondContact O-CA 3.49Å; T557-M781 PolarHBondContact N-O 2.76Å; T557-M781 PolarHBondContact O-N 3.23Å; T557-A786 HydrophobicContact CG2-CB 3.43Å; T557-A786 VanDerWaalsContact CG2-CB 3.43Å
558M90.4Very high77Confident4 Ų444.5 Ų44.52%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-98.8127.8177.5-65170.7-56.800108.5F688 L691 V778 F780 R798 F799M558-F688 HydrophobicContact CE-CB 4.16Å; M558-F688 HydrophobicContact SD-CB 4.26Å; M558-F688 HydrophobicContact SD-CD2 4.05Å; M558-L691 HydrophobicContact CG-CD2 4.45Å; M558-L691 HydrophobicContact SD-CD2 3.58Å; M558-L691 VanDerWaalsContact SD-CD2 3.58Å; M558-V778 HydrophobicContact CB-CG1 3.72Å; M558-V778 HydrophobicContact CG-CG1 4.09Å; M558-F780 HydrophobicContact CG-CD1 3.65Å; M558-F780 HydrophobicContact CG-CE1 3.26Å; M558-F780 HydrophobicContact CG-CZ 3.98Å; M558-F780 HydrophobicContact SD-CE1 3.83Å; M558-F780 HydrophobicContact SD-CZ 4.18Å; M558-R798 CarbonylContact O-C 3.47Å; M558-R798 WeakPolarHBondContact O-CA 3.3Å; M558-F799 WeakPolarHBondContact CE-O 3.45Å; M558-F799 PolarHBondContact O-N 3.35Å
559V89.6Confident76Confident0 Ų045.6 Ų45.60%025%0.245CC..EExtended strand (participates in β ladder)trans-119131.9176.4-178.90000109T557 I779 M781 A786 I790 L796T557-V559 HydrophobicContact CG2-CG2 4.22Å; V559-I779 PolarHBondContact N-O 2.91Å; V559-I779 PolarHBondContact O-N 3.4Å; V559-M781 HydrophobicContact CB-CE 3.69Å; V559-M781 HydrophobicContact CB-SD 4.08Å; V559-M781 HydrophobicContact CG1-CE 4.19Å; V559-M781 HydrophobicContact CG2-CE 3.81Å; V559-M781 HydrophobicContact CG2-CG 3.78Å; V559-M781 HydrophobicContact CG2-SD 3.5Å; V559-M781 VanDerWaalsContact CG2-SD 3.5Å; V559-A786 HydrophobicContact CG2-CB 3.61Å; V559-I790 HydrophobicContact CG2-CD1 4.43Å; V559-L796 HydrophobicContact CG1-CB 4.17Å; V559-L796 HydrophobicContact CG1-CD1 4.43Å
560S86.2Confident75.1Confident14 Ų1445.6 Ų45.610%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-138.2170.1169.677.20000110.4K797 F799S560-K797 PolarHBondContact N-O 3.33Å; S560-K797 VanDerWaalsContact N-O 3.12Å; S560-K797 PolarHBondContact O-N 2.9Å; S560-F799 WeakPolarHBondContact OG-CE2 3.32Å
561K84.3Confident74.4Confident59 Ų5949.5 Ų49.526%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-65.2145.6166.9-169.4-176.7170.6-168.60109.2N563 I773 K795K561-N563 PolarHBondContact O-N 2.86Å; K561-I773 HydrophobicContact CB-CG2 4.14Å; K561-K795 CarbonylContact C-O 3.56Å; K561-K795 WeakPolarHBondContact CA-O 3.32Å
562I72.9Confident73.8Confident34 Ų3450.6 Ų50.617%0.17428%0.275CS..  trans-65120.8166.7-62.2166000107.2E564 K795 K797 L853I562-E564 PolarHBondContact O-N 3.15Å; I562-E564 VanDerWaalsContact O-N 3.12Å; I562-K795 PolarHBondContact N-O 3.47Å; I562-K797 HydrophobicContact CD1-CB 4.34Å; I562-K797 HydrophobicContact CG1-CB 3.64Å; I562-K797 HydrophobicContact CG1-CD 4.38Å; I562-L853 HydrophobicContact CD1-CD1 4.27Å; I562-L853 HydrophobicContact CD1-CD2 4.3Å
563N61.2Low74Confident99 Ų9946.2 Ų46.253%0.52925%0.254SS..  trans-72.4105.5176.8-68.4-6.1000108.8K561 D565K561-N563 PolarHBondContact O-N 2.86Å; N563-D565 PolarHBondContact O-N 3.03Å
564E54.6Low74.2Confident117 Ų11747.3 Ų47.355%0.54726%0.256SS..G310 helixtrans-70.7-14168.9-71.7173.4-172.400111.8I562 L566 K567I562-E564 PolarHBondContact O-N 3.15Å; I562-E564 VanDerWaalsContact O-N 3.12Å; E564-L566 PolarHBondContact O-N 3.46Å; E564-K567 WeakPolarHBondContact O-CB 3.35Å; E564-K567 WeakPolarHBondContact O-CG 3.37Å; E564-K567 PolarHBondContact O-N 3.29Å
565D51.8Low74Confident152 Ų15252.7 Ų52.781%0.81329%0.285SS*.G310 helixtrans-65.3-9.2-179.3-60-27.4000114.1N563N563-D565 PolarHBondContact O-N 3.03Å
566L52.7Low73.8Confident67 Ų6753.7 Ų53.735%0.35129%0.291SS..G310 helixtrans-75.1-11.5170.2-93.7151.1000113.1E564 L568 E684E564-L566 PolarHBondContact O-N 3.46Å; L566-L568 WeakPolarHBondContact O-CD1 3.19Å; L566-L568 PolarHBondContact O-N 3.49Å; L566-L568 VanDerWaalsContact O-N 3.15Å; L566-E684 HydrophobicContact CD1-CG 4.47Å
567K53.2Low73.6Confident103 Ų10355 Ų5545%0.44830%0.297SS..SBendtrans-66.4112.1170.2-71.3-177.1160-1470108.6E564 G569 E862E564-K567 WeakPolarHBondContact O-CB 3.35Å; E564-K567 WeakPolarHBondContact O-CG 3.37Å; E564-K567 PolarHBondContact O-N 3.29Å; K567-G569 PolarHBondContact O-N 3.05Å; K567-G569 VanDerWaalsContact O-N 3.17Å; K567-E862 WeakPolarHBondContact CD-OE2 3.45Å; K567-E862 IonicContact NZ-OE1 2.76Å; K567-E862 IonicContact NZ-OE2 2.6Å; K567-E862 PolarHBondContact NZ-OE2 2.97Å
568L60.8Low73.4Confident30 Ų3058.7 Ų58.716%0.15732%0.32CS..  trans-58.8124.1173.2-8664.5000107.7L566 F572 L676 E863L566-L568 WeakPolarHBondContact O-CD1 3.19Å; L566-L568 PolarHBondContact O-N 3.49Å; L566-L568 VanDerWaalsContact O-N 3.15Å; L568-F572 HydrophobicContact CB-CB 4.03Å; L568-F572 HydrophobicContact CB-CD1 3.94Å; L568-F572 HydrophobicContact CB-CG 3.96Å; L568-F572 HydrophobicContact CD2-CB 4.33Å; L568-F572 HydrophobicContact CD2-CD1 4.02Å; L568-F572 HydrophobicContact CD2-CD2 3.53Å; L568-F572 HydrophobicContact CD2-CE1 4.17Å; L568-F572 HydrophobicContact CD2-CE2 3.68Å; L568-F572 HydrophobicContact CD2-CG 3.69Å; L568-F572 HydrophobicContact CD2-CZ 4.01Å; L568-F572 HydrophobicContact CG-CB 4.29Å; L568-F572 HydrophobicContact CG-CD2 4.37Å; L568-F572 HydrophobicContact CG-CG 4.15Å; L568-L676 HydrophobicContact CD2-CD2 3.72Å; L568-E863 HydrophobicContact CB-CG 4.13Å
569G64.7Low73.4Confident49 Ų4967.5 Ų67.551%0.50535%0.353SS..  trans-55.4148.6176.200000110.6K567 L571 F572K567-G569 PolarHBondContact O-N 3.05Å; K567-G569 VanDerWaalsContact O-N 3.17Å; G569-L571 PolarHBondContact O-N 3.04Å; G569-F572 WeakPolarHBondContact O-CB 3.35Å; G569-F572 PolarHBondContact O-N 3.41Å
570A69.6Low73.5Confident46 Ų4672.9 Ų72.938%0.3838%0.382SS..THydrogen-bonded Turntrans-51-29.2-17400000114.2F573 E862 G866A570-F573 WeakPolarHBondContact O-CE1 3.31Å; A570-E862 WeakPolarHBondContact CA-O 3.14Å; A570-E862 WeakPolarHBondContact CB-O 3.3Å; A570-G866 VanDerWaalsContact O-CA 3.27Å; A570-G866 WeakPolarHBondContact O-CA 3.3Å
571L75.3Confident73.7Confident88 Ų8875 Ų7546%0.46139%0.394SS..THydrogen-bonded Turntrans-104.125178.8-61.6176.4000114G569 F573 L574G569-L571 PolarHBondContact O-N 3.04Å; L571-F573 HydrophobicContact CD2-CE1 4.1Å; L571-F573 HydrophobicContact CD2-CE2 4.47Å; L571-F573 HydrophobicContact CD2-CZ 3.61Å; L571-F573 PolarHBondContact O-N 3.05Å; L571-L574 HydrophobicContact CB-CD1 4.24Å; L571-L574 HydrophobicContact CD1-CD1 4.3Å; L571-L574 HydrophobicContact CD2-CD1 4.26Å; L571-L574 WeakPolarHBondContact O-CB 3.26Å; L571-L574 PolarHBondContact O-N 3.1Å
572F76.2Confident74Confident34 Ų3476.5 Ų76.515%0.14940%0.398CS..THydrogen-bonded Turntrans-55-29.7-175.978.3-87.5000113.5L568 G569 L574 D575 L672 L676L568-F572 HydrophobicContact CB-CB 4.03Å; L568-F572 HydrophobicContact CB-CD1 3.94Å; L568-F572 HydrophobicContact CB-CG 3.96Å; L568-F572 HydrophobicContact CD2-CB 4.33Å; L568-F572 HydrophobicContact CD2-CD1 4.02Å; L568-F572 HydrophobicContact CD2-CD2 3.53Å; L568-F572 HydrophobicContact CD2-CE1 4.17Å; L568-F572 HydrophobicContact CD2-CE2 3.68Å; L568-F572 HydrophobicContact CD2-CG 3.69Å; L568-F572 HydrophobicContact CD2-CZ 4.01Å; L568-F572 HydrophobicContact CG-CB 4.29Å; L568-F572 HydrophobicContact CG-CD2 4.37Å; L568-F572 HydrophobicContact CG-CG 4.15Å; G569-F572 WeakPolarHBondContact O-CB 3.35Å; G569-F572 PolarHBondContact O-N 3.41Å; F572-L574 PolarHBondContact O-N 2.97Å; F572-D575 WeakPolarHBondContact O-CB 3.35Å; F572-D575 PolarHBondContact O-N 2.95Å; F572-L672 HydrophobicContact CD2-CD1 4.11Å; F572-L672 HydrophobicContact CE2-CD1 3.57Å; F572-L672 HydrophobicContact CZ-CD1 4.48Å; F572-L676 HydrophobicContact CE2-CD2 3.92Å; F572-L676 HydrophobicContact CE2-CG 4.48Å; F572-L676 HydrophobicContact CZ-CD2 4.34Å
573F78.3Confident74.9Confident27 Ų2778.6 Ų78.612%0.11841%0.409CS..THydrogen-bonded Turntrans-66.2-22.4177.559.1-94.7000113A570 L571 V576 F668 L672 M867 L870A570-F573 WeakPolarHBondContact O-CE1 3.31Å; L571-F573 HydrophobicContact CD2-CE1 4.1Å; L571-F573 HydrophobicContact CD2-CE2 4.47Å; L571-F573 HydrophobicContact CD2-CZ 3.61Å; L571-F573 PolarHBondContact O-N 3.05Å; F573-V576 VanDerWaalsContact O-CG2 3.29Å; F573-V576 WeakPolarHBondContact O-CG2 3.41Å; F573-F668 WeakPolarHBondContact O-CE2 3.49Å; F573-F668 WeakPolarHBondContact O-CZ 3.1Å; F573-L672 HydrophobicContact CB-CD1 4.22Å; F573-M867 HydrophobicContact CD1-CG 4.4Å; F573-M867 HydrophobicContact CE1-CG 4.06Å; F573-L870 HydrophobicContact CE2-CD1 3.4Å; F573-L870 VanDerWaalsContact CE2-CD1 3.4Å; F573-L870 HydrophobicContact CZ-CD1 3.32Å; F573-L870 HydrophobicContact CZ-CG 4.45Å
574L80.4Confident76.4Confident66 Ų6678 Ų7835%0.34641%0.409SS..G310 helixtrans-78.6-26.4173.5-67-179.9000112.6L571 F572 V576 W582L571-L574 HydrophobicContact CB-CD1 4.24Å; L571-L574 HydrophobicContact CD1-CD1 4.3Å; L571-L574 HydrophobicContact CD2-CD1 4.26Å; L571-L574 WeakPolarHBondContact O-CB 3.26Å; L571-L574 PolarHBondContact O-N 3.1Å; F572-L574 PolarHBondContact O-N 2.97Å; L574-V576 PolarHBondContact O-N 3.01Å; L574-V576 VanDerWaalsContact O-N 3.15Å; L574-W582 HydrophobicContact CD2-CZ2 4.11Å; L574-W582 PolarHBondContact O-NE1 3.28Å
575D81.1Confident78Confident113 Ų11374 Ų7460%0.60440%0.396SS*.G310 helixtrans-77.89.4-179.7-166.340.9000112.7F572 K675F572-D575 WeakPolarHBondContact O-CB 3.35Å; F572-D575 PolarHBondContact O-N 2.95Å; D575-K675 PolarHBondContact O-NZ 3.12Å; D575-K675 IonicContact OD2-NZ 3.91Å; D575-K675 PolarHBondContact OD2-NZ 2.96Å
576V83.9Confident79.8Confident21 Ų2170.6 Ų70.613%0.12738%0.38CS..G310 helixtrans-73.9-37173.8176.30000110.9F573 L574 F668 N671 L672F573-V576 VanDerWaalsContact O-CG2 3.29Å; F573-V576 WeakPolarHBondContact O-CG2 3.41Å; L574-V576 PolarHBondContact O-N 3.01Å; L574-V576 VanDerWaalsContact O-N 3.15Å; V576-F668 HydrophobicContact CB-CD2 4.07Å; V576-F668 HydrophobicContact CB-CE2 3.82Å; V576-F668 HydrophobicContact CG1-CD2 3.9Å; V576-F668 HydrophobicContact CG1-CE2 4.15Å; V576-F668 HydrophobicContact CG2-CE2 4.2Å; V576-N671 HydrophobicContact CG1-CB 3.43Å; V576-N671 VanDerWaalsContact CG1-CB 3.43Å; V576-L672 HydrophobicContact CG2-CB 4.06Å; V576-L672 HydrophobicContact CG2-CD1 3.69Å; V576-L672 HydrophobicContact CG2-CG 4.5Å
577F86.9Confident81.6Confident26 Ų2670.8 Ų70.811%0.11438%0.384CS..SBendtrans-110.6138.1175.7-71.2-35.5000110.3V581 W582 I664 M667 F668F577-V581 HydrophobicContact CB-CB 4.15Å; F577-V581 HydrophobicContact CB-CG1 4.1Å; F577-V581 HydrophobicContact CD1-CG1 4.18Å; F577-V581 HydrophobicContact CD2-CG1 4.34Å; F577-V581 HydrophobicContact CG-CG1 3.97Å; F577-W582 HydrophobicContact CD2-CZ2 4.26Å; F577-W582 PolarHBondContact O-NE1 2.98Å; F577-I664 HydrophobicContact CE2-CG2 4.09Å; F577-I664 HydrophobicContact CZ-CG2 4.43Å; F577-M667 HydrophobicContact CZ-CB 4.42Å; F577-F668 AromaticContact CD2-CD2 3.79Å; F577-F668 HydrophobicContact CD2-CD2 3.79Å; F577-F668 HydrophobicContact CE2-CB 3.75Å; F577-F668 AromaticContact CE2-CD2 3.57Å; F577-F668 HydrophobicContact CE2-CD2 3.57Å; F577-F668 HydrophobicContact CE2-CG 4.12Å; F577-F668 HydrophobicContact CZ-CB 3.71Å; F577-F668 HydrophobicContact CZ-CD2 4.11Å; F577-F668 HydrophobicContact CZ-CG 4.43Å
578T87.7Confident83.3Confident84 Ų8467.3 Ų67.352%0.51537%0.374SS..  trans-66.4157.1174.6620000110.4D580 V581 W582T578-D580 PolarHBondContact O-N 3.17Å; T578-D580 VanDerWaalsContact O-N 3.15Å; T578-V581 WeakPolarHBondContact O-CB 3.31Å; T578-V581 PolarHBondContact O-N 3.19Å; T578-W582 PolarHBondContact O-N 3.31Å
579W89.9Confident84.6Confident188 Ų18867.3 Ų67.371%0.71238%0.376SS*.Hα-helixtrans-55.7-33.5179-171.2-116.5000113V581 W582 I583W579-V581 VanDerWaalsContact C-N 3.34Å; W579-V581 PolarHBondContact O-N 3.09Å; W579-W582 HydrophobicContact CE3-CB 4.39Å; W579-W582 PolarHBondContact O-N 3.37Å; W579-I583 VanDerWaalsContact CD1-CD1 3.45Å; W579-I583 HydrophobicContact CG-CD1 4.24Å; W579-I583 VanDerWaalsContact NE1-CD1 3.32Å; W579-I583 WeakPolarHBondContact O-CG1 3.47Å; W579-I583 PolarHBondContact O-N 3Å
580D92.4Very high85.8Confident114 Ų11469.9 Ų69.961%0.6137%0.373SS*.Hα-helixtrans-63.4-38.5176.1-55.7-47.5000112.4T578 I583 T584T578-D580 PolarHBondContact O-N 3.17Å; T578-D580 VanDerWaalsContact O-N 3.15Å; D580-I583 PolarHBondContact O-N 3.41Å; D580-T584 WeakPolarHBondContact O-CB 3.49Å; D580-T584 VanDerWaalsContact O-CG2 3.28Å; D580-T584 WeakPolarHBondContact O-CG2 3.47Å; D580-T584 PolarHBondContact O-N 2.69Å; D580-T584 PolarHBondContact O-OG1 2.78Å
581V90.7Very high86.8Confident59 Ų5972 Ų7236%0.35838%0.377SS..Hα-helixtrans-69.1-39.1176.7177.80000110.5F577 T578 W579 T584 A585F577-V581 HydrophobicContact CB-CB 4.15Å; F577-V581 HydrophobicContact CB-CG1 4.1Å; F577-V581 HydrophobicContact CD1-CG1 4.18Å; F577-V581 HydrophobicContact CD2-CG1 4.34Å; F577-V581 HydrophobicContact CG-CG1 3.97Å; T578-V581 WeakPolarHBondContact O-CB 3.31Å; T578-V581 PolarHBondContact O-N 3.19Å; W579-V581 VanDerWaalsContact C-N 3.34Å; W579-V581 PolarHBondContact O-N 3.09Å; V581-T584 VanDerWaalsContact CA-OG1 3.27Å; V581-T584 WeakPolarHBondContact CA-OG1 3.3Å; V581-T584 PolarHBondContact O-N 2.94Å; V581-T584 PolarHBondContact O-OG1 3.5Å; V581-A585 WeakPolarHBondContact O-CB 3.4Å; V581-A585 PolarHBondContact O-N 3.01Å
582W90.2Very high87.4Confident90 Ų9069 Ų6934%0.34136%0.362SS..Hα-helixtrans-63.2-46.1174.4-76.1113000112.4L574 F577 T578 W579 T584 A585 V586L574-W582 HydrophobicContact CD2-CZ2 4.11Å; L574-W582 PolarHBondContact O-NE1 3.28Å; F577-W582 HydrophobicContact CD2-CZ2 4.26Å; F577-W582 PolarHBondContact O-NE1 2.98Å; T578-W582 PolarHBondContact O-N 3.31Å; W579-W582 HydrophobicContact CE3-CB 4.39Å; W579-W582 PolarHBondContact O-N 3.37Å; W582-T584 PolarHBondContact O-N 2.93Å; W582-A585 PolarHBondContact O-N 3.3Å; W582-V586 WeakPolarHBondContact O-CG2 3.13Å; W582-V586 PolarHBondContact O-N 2.84Å
583I92.1Very high88Confident77 Ų7767.4 Ų67.440%0.39535%0.354SS..Hα-helixtrans-60.6-47.1176.1-68.6166.1000110.2W579 D580 A585 V586 V587W579-I583 VanDerWaalsContact CD1-CD1 3.45Å; W579-I583 HydrophobicContact CG-CD1 4.24Å; W579-I583 VanDerWaalsContact NE1-CD1 3.32Å; W579-I583 WeakPolarHBondContact O-CG1 3.47Å; W579-I583 PolarHBondContact O-N 3Å; D580-I583 PolarHBondContact O-N 3.41Å; I583-A585 VanDerWaalsContact C-N 3.32Å; I583-A585 PolarHBondContact O-N 3.02Å; I583-V586 PolarHBondContact O-N 3.3Å; I583-V587 HydrophobicContact CG2-CG2 4.14Å; I583-V587 WeakPolarHBondContact O-CB 3.47Å; I583-V587 VanDerWaalsContact O-CG2 3.26Å; I583-V587 WeakPolarHBondContact O-CG2 3.39Å; I583-V587 PolarHBondContact O-N 2.96Å
584T90.9Very high88.5Confident87 Ų8771.4 Ų71.453%0.53437%0.372SS..Hα-helixtrans-64.9-35.4-179.750.90000112.4D580 V581 W582 V587 A588D580-T584 WeakPolarHBondContact O-CB 3.49Å; D580-T584 VanDerWaalsContact O-CG2 3.28Å; D580-T584 WeakPolarHBondContact O-CG2 3.47Å; D580-T584 PolarHBondContact O-N 2.69Å; D580-T584 PolarHBondContact O-OG1 2.78Å; V581-T584 VanDerWaalsContact CA-OG1 3.27Å; V581-T584 WeakPolarHBondContact CA-OG1 3.3Å; V581-T584 PolarHBondContact O-N 2.94Å; V581-T584 PolarHBondContact O-OG1 3.5Å; W582-T584 PolarHBondContact O-N 2.93Å; T584-V587 PolarHBondContact O-N 3.46Å; T584-A588 VanDerWaalsContact O-CB 3.25Å; T584-A588 WeakPolarHBondContact O-CB 3.48Å; T584-A588 PolarHBondContact O-N 3.32Å
585A88.7Confident88.9Confident33 Ų3372 Ų7227%0.27338%0.375SS..Hα-helixtrans-64.3-45.4172.800000112V581 W582 I583 A588 V589V581-A585 WeakPolarHBondContact O-CB 3.4Å; V581-A585 PolarHBondContact O-N 3.01Å; W582-A585 PolarHBondContact O-N 3.3Å; I583-A585 VanDerWaalsContact C-N 3.32Å; I583-A585 PolarHBondContact O-N 3.02Å; A585-A588 WeakPolarHBondContact O-CB 3.27Å; A585-A588 PolarHBondContact O-N 3.08Å; A585-V589 WeakPolarHBondContact O-CG2 3.3Å; A585-V589 PolarHBondContact O-N 2.93Å
586V89.8Confident89.1Confident80 Ų8066.7 Ų66.749%0.48535%0.346SS..Hα-helixtrans-63-45.4176.2172.10000110.9W582 I583 A588 V589 F590W582-V586 WeakPolarHBondContact O-CG2 3.13Å; W582-V586 PolarHBondContact O-N 2.84Å; I583-V586 PolarHBondContact O-N 3.3Å; V586-A588 VanDerWaalsContact C-N 3.31Å; V586-A588 PolarHBondContact O-N 3.44Å; V586-V589 WeakPolarHBondContact O-CB 3.48Å; V586-V589 PolarHBondContact O-N 2.77Å; V586-F590 HydrophobicContact CG1-CD2 3.94Å; V586-F590 HydrophobicContact CG1-CE2 3.66Å; V586-F590 WeakPolarHBondContact O-CD2 3.49Å; V586-F590 PolarHBondContact O-N 3.15Å; V586-F590 VanDerWaalsContact O-N 3.13Å
587V91.3Very high89.1Confident71 Ų7166.2 Ų66.243%0.4335%0.345SS..Hα-helixtrans-61-40.7175.9170.10000110.9I583 T584 V589 F590 I591I583-V587 HydrophobicContact CG2-CG2 4.14Å; I583-V587 WeakPolarHBondContact O-CB 3.47Å; I583-V587 VanDerWaalsContact O-CG2 3.26Å; I583-V587 WeakPolarHBondContact O-CG2 3.39Å; I583-V587 PolarHBondContact O-N 2.96Å; T584-V587 PolarHBondContact O-N 3.46Å; V587-V589 PolarHBondContact O-N 2.72Å; V587-F590 PolarHBondContact O-N 3.26Å; V587-I591 HydrophobicContact CG1-CD1 3.64Å; V587-I591 HydrophobicContact CG1-CG1 4.25Å; V587-I591 VanDerWaalsContact O-CG1 3.29Å; V587-I591 WeakPolarHBondContact O-CG1 3.31Å; V587-I591 PolarHBondContact O-N 3.2Å
588A89.5Confident89Confident30 Ų3070.3 Ų70.325%0.24836%0.363CS..Hα-helixtrans-62.5-40.2175.800000112.1T584 A585 V586 F590 I591 I592T584-A588 VanDerWaalsContact O-CB 3.25Å; T584-A588 WeakPolarHBondContact O-CB 3.48Å; T584-A588 PolarHBondContact O-N 3.32Å; A585-A588 WeakPolarHBondContact O-CB 3.27Å; A585-A588 PolarHBondContact O-N 3.08Å; V586-A588 VanDerWaalsContact C-N 3.31Å; V586-A588 PolarHBondContact O-N 3.44Å; A588-F590 PolarHBondContact O-N 2.53Å; A588-I591 PolarHBondContact O-N 2.96Å; A588-I592 WeakPolarHBondContact O-CB 3.18Å; A588-I592 VanDerWaalsContact O-CG1 3.23Å; A588-I592 WeakPolarHBondContact O-CG1 3.43Å; A588-I592 PolarHBondContact O-N 3.43Å
589V87.8Confident88.8Confident30 Ų3068.4 Ų68.418%0.18235%0.349CS..Hα-helixtrans-58.9-46.4174.1166.90000111A585 V586 V587 G593 V632A585-V589 WeakPolarHBondContact O-CG2 3.3Å; A585-V589 PolarHBondContact O-N 2.93Å; V586-V589 WeakPolarHBondContact O-CB 3.48Å; V586-V589 PolarHBondContact O-N 2.77Å; V587-V589 PolarHBondContact O-N 2.72Å; V589-G593 PolarHBondContact O-N 3.24Å; V589-V632 HydrophobicContact CB-CG1 4.21Å; V589-V632 HydrophobicContact CG1-CB 4.47Å; V589-V632 HydrophobicContact CG1-CG1 3.85Å; V589-V632 HydrophobicContact CG2-CG1 4.19Å
590F89.5Confident88.4Confident103 Ų10359.6 Ų59.645%0.45232%0.316SS..Hα-helixtrans-64-47.4176.5-77.1-72.2000112.1V586 V587 A588 I592 G593 F594 L629V586-F590 HydrophobicContact CG1-CD2 3.94Å; V586-F590 HydrophobicContact CG1-CE2 3.66Å; V586-F590 WeakPolarHBondContact O-CD2 3.49Å; V586-F590 PolarHBondContact O-N 3.15Å; V586-F590 VanDerWaalsContact O-N 3.13Å; V587-F590 PolarHBondContact O-N 3.26Å; A588-F590 PolarHBondContact O-N 2.53Å; F590-I592 PolarHBondContact O-N 3.33Å; F590-G593 PolarHBondContact O-N 3.06Å; F590-F594 HydrophobicContact CB-CD2 4.45Å; F590-F594 HydrophobicContact CB-CE2 4.49Å; F590-F594 HydrophobicContact CD1-CE2 4.33Å; F590-F594 WeakPolarHBondContact O-CB 3.49Å; F590-F594 WeakPolarHBondContact O-CD2 3.5Å; F590-F594 PolarHBondContact O-N 3.47Å; F590-L629 HydrophobicContact CD1-CD1 4.32Å; F590-L629 HydrophobicContact CD1-CD2 3.65Å; F590-L629 HydrophobicContact CE1-CD1 4.27Å; F590-L629 HydrophobicContact CE1-CD2 4.16Å; F590-L629 HydrophobicContact CG-CD2 4.43Å
591I89.9Confident87.7Confident92 Ų9260.3 Ų60.347%0.47231%0.313SS..Hα-helixtrans-58.7-47.9179.7-70.2170.4000110.6V587 A588 F594 L595V587-I591 HydrophobicContact CG1-CD1 3.64Å; V587-I591 HydrophobicContact CG1-CG1 4.25Å; V587-I591 VanDerWaalsContact O-CG1 3.29Å; V587-I591 WeakPolarHBondContact O-CG1 3.31Å; V587-I591 PolarHBondContact O-N 3.2Å; A588-I591 PolarHBondContact O-N 2.96Å; I591-F594 PolarHBondContact O-N 2.96Å; I591-L595 HydrophobicContact CG2-CD1 3.83Å; I591-L595 HydrophobicContact CG2-CG 4.39Å; I591-L595 WeakPolarHBondContact O-CB 3.25Å; I591-L595 VanDerWaalsContact O-CG 3.24Å; I591-L595 WeakPolarHBondContact O-CG 3.43Å; I591-L595 PolarHBondContact O-N 3.12Å
592I89.4Confident87.1Confident25 Ų2564.9 Ų64.913%0.12833%0.325CS..Hα-helixtrans-67.8-40.1-179.3-64.5168.4000110.7A588 F590 L595 L596 V632 L657 L660A588-I592 WeakPolarHBondContact O-CB 3.18Å; A588-I592 VanDerWaalsContact O-CG1 3.23Å; A588-I592 WeakPolarHBondContact O-CG1 3.43Å; A588-I592 PolarHBondContact O-N 3.43Å; F590-I592 PolarHBondContact O-N 3.33Å; I592-L595 PolarHBondContact O-N 3.13Å; I592-L596 WeakPolarHBondContact O-CB 3.45Å; I592-L596 PolarHBondContact O-N 3.16Å; I592-V632 HydrophobicContact CG2-CG1 4.48Å; I592-V632 HydrophobicContact CG2-CG2 3.98Å; I592-L657 HydrophobicContact CD1-CD1 3.89Å; I592-L657 HydrophobicContact CG2-CD1 4.35Å; I592-L657 HydrophobicContact CG2-CD2 4.31Å; I592-L660 HydrophobicContact CD1-CD2 4.06Å
593G88.5Confident86.4Confident0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-61.2-46.2175.300000112.5V589 F590 L596 A597 S628V589-G593 PolarHBondContact O-N 3.24Å; F590-G593 PolarHBondContact O-N 3.06Å; G593-L596 PolarHBondContact O-N 2.83Å; G593-A597 PolarHBondContact O-N 2.87Å; G593-S628 WeakPolarHBondContact O-CB 3.09Å; G593-S628 PolarHBondContact O-OG 3.18Å
594F88.7Confident85.3Confident110 Ų11061.5 Ų61.548%0.48232%0.32SS..Hα-helixtrans-63.9-41.1174.5-80.7-64.9000112.5F590 I591 L596 A597 F598 V625F590-F594 HydrophobicContact CB-CD2 4.45Å; F590-F594 HydrophobicContact CB-CE2 4.49Å; F590-F594 HydrophobicContact CD1-CE2 4.33Å; F590-F594 WeakPolarHBondContact O-CB 3.49Å; F590-F594 WeakPolarHBondContact O-CD2 3.5Å; F590-F594 PolarHBondContact O-N 3.47Å; I591-F594 PolarHBondContact O-N 2.96Å; F594-L596 VanDerWaalsContact C-N 3.33Å; F594-A597 PolarHBondContact O-N 2.75Å; F594-F598 VanDerWaalsContact O-CB 3.23Å; F594-F598 WeakPolarHBondContact O-CB 3.44Å; F594-F598 PolarHBondContact O-N 3.4Å; F594-V625 HydrophobicContact CD1-CG1 4.1Å; F594-V625 HydrophobicContact CE1-CG1 3.58Å; F594-V625 HydrophobicContact CZ-CG1 4.2Å
595L87.2Confident84.2Confident78 Ų7864.6 Ų64.641%0.40832%0.323SS..Hα-helixtrans-63.6-39.1175.1-75.9172.5000111.8I591 I592 F598 I599 L653I591-L595 HydrophobicContact CG2-CD1 3.83Å; I591-L595 HydrophobicContact CG2-CG 4.39Å; I591-L595 WeakPolarHBondContact O-CB 3.25Å; I591-L595 VanDerWaalsContact O-CG 3.24Å; I591-L595 WeakPolarHBondContact O-CG 3.43Å; I591-L595 PolarHBondContact O-N 3.12Å; I592-L595 PolarHBondContact O-N 3.13Å; L595-F598 PolarHBondContact O-N 3.25Å; L595-I599 WeakPolarHBondContact O-CB 3.46Å; L595-I599 WeakPolarHBondContact O-CD1 3.38Å; L595-I599 VanDerWaalsContact O-CG1 3.23Å; L595-I599 WeakPolarHBondContact O-CG1 3.42Å; L595-I599 PolarHBondContact O-N 3.05Å; L595-L653 HydrophobicContact CB-CD2 4.26Å
596L86.6Confident82.9Confident2 Ų263 Ų631%0.0131%0.31CS..Hα-helixtrans-62.9-49.1176.4-167.382000110.6I592 G593 F594 F598 I599 D600 F623 Y631 T650 L653 V654I592-L596 WeakPolarHBondContact O-CB 3.45Å; I592-L596 PolarHBondContact O-N 3.16Å; G593-L596 PolarHBondContact O-N 2.83Å; F594-L596 VanDerWaalsContact C-N 3.33Å; L596-F598 VanDerWaalsContact C-N 3.32Å; L596-F598 PolarHBondContact O-N 2.9Å; L596-I599 PolarHBondContact O-N 3.1Å; L596-D600 VanDerWaalsContact O-CB 3.26Å; L596-D600 WeakPolarHBondContact O-CB 3.44Å; L596-D600 PolarHBondContact O-N 3.01Å; L596-F623 HydrophobicContact CD2-CD1 3.63Å; L596-F623 HydrophobicContact CD2-CE1 3.74Å; L596-F623 HydrophobicContact CD2-CG 4.34Å; L596-F623 HydrophobicContact CG-CD1 4.42Å; L596-Y631 HydrophobicContact CD2-CD1 3.97Å; L596-T650 HydrophobicContact CD1-CG2 4.35Å; L596-L653 HydrophobicContact CB-CD2 4.21Å; L596-L653 HydrophobicContact CD1-CD2 3.95Å; L596-V654 HydrophobicContact CD1-CG2 3.79Å
597A83.3Confident81.5Confident11 Ų1161.9 Ų61.99%0.09130%0.298CS..Hα-helixtrans-62.2-38.9176.100000112.6G593 F594 K601 V625G593-A597 PolarHBondContact O-N 2.87Å; F594-A597 PolarHBondContact O-N 2.75Å; A597-K601 VanDerWaalsContact O-CB 3.28Å; A597-K601 WeakPolarHBondContact O-CB 3.25Å; A597-K601 PolarHBondContact O-N 3.48Å; A597-V625 HydrophobicContact CB-CG2 4.16Å
598F84.6Confident79.9Confident113 Ų11361.7 Ų61.750%0.49629%0.292SS..Hα-helixtrans-66.4-51.8177.5-177.4-90.5000111.2F594 L595 L596 D600 K601 Y602F594-F598 VanDerWaalsContact O-CB 3.23Å; F594-F598 WeakPolarHBondContact O-CB 3.44Å; F594-F598 PolarHBondContact O-N 3.4Å; L595-F598 PolarHBondContact O-N 3.25Å; L596-F598 VanDerWaalsContact C-N 3.32Å; L596-F598 PolarHBondContact O-N 2.9Å; F598-D600 VanDerWaalsContact C-N 3.29Å; F598-D600 PolarHBondContact O-N 3.01Å; F598-K601 PolarHBondContact O-N 3.24Å; F598-Y602 AromaticContact CD1-CD2 3.97Å; F598-Y602 HydrophobicContact CD1-CD2 3.97Å; F598-Y602 HydrophobicContact CD1-CE2 4.48Å; F598-Y602 AromaticContact CD2-CD2 3.73Å; F598-Y602 HydrophobicContact CD2-CD2 3.73Å; F598-Y602 AromaticContact CD2-CE2 3.47Å; F598-Y602 HydrophobicContact CD2-CE2 3.47Å; F598-Y602 VanDerWaalsContact CD2-CE2 3.47Å; F598-Y602 AromaticContact CE1-CD2 3.76Å; F598-Y602 HydrophobicContact CE1-CD2 3.76Å; F598-Y602 HydrophobicContact CE1-CE2 4.17Å; F598-Y602 HydrophobicContact CE1-CG 4.47Å; F598-Y602 AromaticContact CE2-CD2 3.53Å; F598-Y602 HydrophobicContact CE2-CD2 3.53Å; F598-Y602 AromaticContact CE2-CE2 3.08Å; F598-Y602 HydrophobicContact CE2-CE2 3.08Å; F598-Y602 AromaticContact CE2-CZ 3.92Å; F598-Y602 AromaticContact CG-CD2 3.95Å; F598-Y602 HydrophobicContact CG-CD2 3.95Å; F598-Y602 HydrophobicContact CG-CE2 4.17Å; F598-Y602 AromaticContact CZ-CD2 3.53Å; F598-Y602 HydrophobicContact CZ-CD2 3.53Å; F598-Y602 AromaticContact CZ-CE2 3.47Å; F598-Y602 HydrophobicContact CZ-CE2 3.47Å; F598-Y602 VanDerWaalsContact CZ-CE2 3.47Å; F598-Y602 HydrophobicContact CZ-CG 4.36Å; F598-Y602 VanDerWaalsContact O-CD2 3.27Å; F598-Y602 WeakPolarHBondContact O-CD2 3.47Å; F598-Y602 PolarHBondContact O-N 2.85Å
599I84.7Confident78.5Confident44 Ų4464.2 Ų64.223%0.22630%0.301CS..Hα-helixtrans-63.5-39.3-180-67.9164.8000110.3L595 L596 S603 T650 L653L595-I599 WeakPolarHBondContact O-CB 3.46Å; L595-I599 WeakPolarHBondContact O-CD1 3.38Å; L595-I599 VanDerWaalsContact O-CG1 3.23Å; L595-I599 WeakPolarHBondContact O-CG1 3.42Å; L595-I599 PolarHBondContact O-N 3.05Å; L596-I599 PolarHBondContact O-N 3.1Å; I599-S603 WeakPolarHBondContact O-CB 3.33Å; I599-S603 PolarHBondContact O-N 3.4Å; I599-S603 PolarHBondContact O-OG 2.7Å; I599-T650 HydrophobicContact CB-CG2 4.16Å; I599-T650 HydrophobicContact CG2-CG2 3.6Å; I599-L653 HydrophobicContact CD1-CD2 4Å
600D80.1Confident77.1Confident3 Ų367.3 Ų67.32%0.01631%0.314CS..Hα-helixtrans-60.6-50.4175.5-166.756.3000110.8L596 F598 Y602 S603 S606 F623L596-D600 VanDerWaalsContact O-CB 3.26Å; L596-D600 WeakPolarHBondContact O-CB 3.44Å; L596-D600 PolarHBondContact O-N 3.01Å; F598-D600 VanDerWaalsContact C-N 3.29Å; F598-D600 PolarHBondContact O-N 3.01Å; D600-Y602 PolarHBondContact O-N 3.13Å; D600-S603 PolarHBondContact O-N 3.48Å; D600-S603 PolarHBondContact O-OG 3.06Å; D600-S606 WeakPolarHBondContact O-CB 3.26Å; D600-S606 PolarHBondContact O-OG 3.35Å; D600-S606 WeakPolarHBondContact OD1-CB 3.46Å; D600-S606 PolarHBondContact OD1-OG 2.93Å; D600-S606 PolarHBondContact OD2-OG 2.72Å; D600-F623 HydrophobicContact CB-CB 4Å; D600-F623 HydrophobicContact CB-CD2 4.28Å
601K77.9Confident75.6Confident128 Ų12866.6 Ų66.656%0.55732%0.32SS*.Hα-helixtrans-59.3-41.2179.1-176.1174.2-177.9177.80114A597 F598 N609A597-K601 VanDerWaalsContact O-CB 3.28Å; A597-K601 WeakPolarHBondContact O-CB 3.25Å; A597-K601 PolarHBondContact O-N 3.48Å; F598-K601 PolarHBondContact O-N 3.24Å; K601-N609 PolarHBondContact O-ND2 3.32Å
602Y78.4Confident73.7Confident155 Ų15569.7 Ų69.761%0.60833%0.33SS*.Hα-helixtrans-89.7-15.5-177.8-74.9-80.9000113.9F598 D600F598-Y602 AromaticContact CD1-CD2 3.97Å; F598-Y602 HydrophobicContact CD1-CD2 3.97Å; F598-Y602 HydrophobicContact CD1-CE2 4.48Å; F598-Y602 AromaticContact CD2-CD2 3.73Å; F598-Y602 HydrophobicContact CD2-CD2 3.73Å; F598-Y602 AromaticContact CD2-CE2 3.47Å; F598-Y602 HydrophobicContact CD2-CE2 3.47Å; F598-Y602 VanDerWaalsContact CD2-CE2 3.47Å; F598-Y602 AromaticContact CE1-CD2 3.76Å; F598-Y602 HydrophobicContact CE1-CD2 3.76Å; F598-Y602 HydrophobicContact CE1-CE2 4.17Å; F598-Y602 HydrophobicContact CE1-CG 4.47Å; F598-Y602 AromaticContact CE2-CD2 3.53Å; F598-Y602 HydrophobicContact CE2-CD2 3.53Å; F598-Y602 AromaticContact CE2-CE2 3.08Å; F598-Y602 HydrophobicContact CE2-CE2 3.08Å; F598-Y602 AromaticContact CE2-CZ 3.92Å; F598-Y602 AromaticContact CG-CD2 3.95Å; F598-Y602 HydrophobicContact CG-CD2 3.95Å; F598-Y602 HydrophobicContact CG-CE2 4.17Å; F598-Y602 AromaticContact CZ-CD2 3.53Å; F598-Y602 HydrophobicContact CZ-CD2 3.53Å; F598-Y602 AromaticContact CZ-CE2 3.47Å; F598-Y602 HydrophobicContact CZ-CE2 3.47Å; F598-Y602 VanDerWaalsContact CZ-CE2 3.47Å; F598-Y602 HydrophobicContact CZ-CG 4.36Å; F598-Y602 VanDerWaalsContact O-CD2 3.27Å; F598-Y602 WeakPolarHBondContact O-CD2 3.47Å; F598-Y602 PolarHBondContact O-N 2.85Å; D600-Y602 PolarHBondContact O-N 3.13Å
603S75.8Confident71.7Confident10 Ų1078.8 Ų78.87%0.0737%0.368CS..  trans-74.1128.2179.772.40000110.8I599 D600 Y605 S606 N609I599-S603 WeakPolarHBondContact O-CB 3.33Å; I599-S603 PolarHBondContact O-N 3.4Å; I599-S603 PolarHBondContact O-OG 2.7Å; D600-S603 PolarHBondContact O-N 3.48Å; D600-S603 PolarHBondContact O-OG 3.06Å; S603-Y605 PolarHBondContact O-N 3.49Å; S603-Y605 VanDerWaalsContact O-N 3.13Å; S603-S606 PolarHBondContact O-N 3.33Å; S603-S606 WeakPolarHBondContact OG-CB 3.46Å; S603-S606 PolarHBondContact OG-N 3.13Å; S603-N609 PolarHBondContact O-ND2 3.41Å
604P68.8Low69.6Low86 Ų8681.3 Ų81.356%0.55839%0.394SS*.THydrogen-bonded Turntrans-67.5-12.9178.526.5-33.7000113
605Y66.9Low67.6Low153 Ų15384.8 Ų84.860%0.642%0.418SS*.THydrogen-bonded Turntrans-100.94.5-177.6-57.2-70000114.2S603S603-Y605 PolarHBondContact O-N 3.49Å; S603-Y605 VanDerWaalsContact O-N 3.13Å
606S62Low65.5Low0 Ų083.6 Ų83.60%042%0.424CS..SBendtrans-71.2154.3177.7168.70000112.8D600 S603 Q608 N609 Q610D600-S606 WeakPolarHBondContact O-CB 3.26Å; D600-S606 PolarHBondContact O-OG 3.35Å; D600-S606 WeakPolarHBondContact OD1-CB 3.46Å; D600-S606 PolarHBondContact OD1-OG 2.93Å; D600-S606 PolarHBondContact OD2-OG 2.72Å; S603-S606 PolarHBondContact O-N 3.33Å; S603-S606 WeakPolarHBondContact OG-CB 3.46Å; S603-S606 PolarHBondContact OG-N 3.13Å; S606-Q608 PolarHBondContact O-N 2.96Å; S606-Q608 PolarHBondContact OG-N 2.75Å; S606-N609 PolarHBondContact O-N 3.22Å; S606-Q610 PolarHBondContact O-N 2.99Å
607Y60.1Low63.5Low56 Ų5691.8 Ų91.822%0.2246%0.463CS..THydrogen-bonded Turntrans-57.1-31.4168.5-77.4-74.2000113Q610 R646Y607-Q610 CarbonylContact O-C 3.55Å; Y607-R646 HydrophobicContact CD2-CB 4.21Å; Y607-R646 HydrophobicContact CE2-CB 3.85Å
608Q59.3Low61.7Low67 Ų6794.5 Ų94.531%0.31348%0.481SS..THydrogen-bonded Turntrans-63.6-39.9175-75.9-175.38.800112.5S606 V622 F623S606-Q608 PolarHBondContact O-N 2.96Å; S606-Q608 PolarHBondContact OG-N 2.75Å; Q608-V622 HydrophobicContact CG-CB 4.29Å; Q608-V622 HydrophobicContact CG-CG1 3.34Å; Q608-V622 HydrophobicContact CG-CG2 4.24Å; Q608-F623 PolarHBondContact NE2-O 2.89Å
609N59.3Low60.1Low82 Ų8296.7 Ų96.744%0.43950%0.495SS..THydrogen-bonded Turntrans-95.9-21.4-171.1-68.6-28.1000113K601 S603 S606K601-N609 PolarHBondContact O-ND2 3.32Å; S603-N609 PolarHBondContact O-ND2 3.41Å; S606-N609 PolarHBondContact O-N 3.22Å
610Q58.4Low58.7Low95 Ų9595.3 Ų95.344%0.44449%0.491SS..  trans-131.579.9169.3-74.4-166.9-1700111.5S606 Y607 K612S606-Q610 PolarHBondContact O-N 2.99Å; Y607-Q610 CarbonylContact O-C 3.55Å; Q610-K612 PolarHBondContact O-N 2.83Å; Q610-K612 VanDerWaalsContact O-N 3.16Å
611P57.6Low57.6Low89 Ų8997.6 Ų97.658%0.57851%0.505SS*.  trans-65.7113.9160.227.6-30.7000107K613P611-K613 PolarHBondContact O-N 2.75Å
612K50.7Low57.1Low157 Ų15794.5 Ų94.568%0.68350%0.497SS*.  trans-61115170.8-85.2-173.1174.4-178.30107.4Q610 G614Q610-K612 PolarHBondContact O-N 2.83Å; Q610-K612 VanDerWaalsContact O-N 3.16Å; K612-G614 PolarHBondContact O-N 2.85Å
613K46.3Very low56.6Low216 Ų21687.3 Ų87.394%0.93947%0.468SS*.  trans-74.895.7164.4-72.4-178.8175.8-1790107.4P611P611-K613 PolarHBondContact O-N 2.75Å
614G44.5Very low56.6Low52 Ų5289.9 Ų89.954%0.53648%0.484SS..SBendtrans167.8102174.400000111.4K612 G616K612-G614 PolarHBondContact O-N 2.85Å; G614-G616 PolarHBondContact O-N 2.91Å
615D47Very low57.2Low184 Ų18489.1 Ų89.198%0.98448%0.478SS*.SBendtrans-0.233.4161.9-54.3-18.3000121.7
616G44Very low58.1Low53 Ų5389.3 Ų89.355%0.54648%0.482SS..SBendtrans-122.2116.2156.400000106.4G614 S618G614-G616 PolarHBondContact O-N 2.91Å; G616-S618 PolarHBondContact O-N 3.27Å
617E44.2Very low59Low174 Ų17491.9 Ų91.981%0.81349%0.494SS*.  trans-37100.5172.1-67.9178153.800109.2M619E617-M619 PolarHBondContact O-N 3.12Å
618S45.5Very low60.2Low67 Ų6789.2 Ų89.247%0.46948%0.483SS..  trans-71.792.8176.155.40000105.3G616 G620G616-S618 PolarHBondContact O-N 3.27Å; S618-G620 PolarHBondContact O-N 2.96Å
619M51.3Low61.5Low160 Ų16088 Ų8879%0.78848%0.478SS*.  trans-65.147.3173.9-68.1-75.6-123.400111E617E617-M619 PolarHBondContact O-N 3.12Å
620G54.4Low62.7Low14 Ų1491.3 Ų91.314%0.14449%0.485CS..  trans-123.6112177.400000107.9S618S618-G620 PolarHBondContact O-N 2.96Å
621T57.4Low64Low51 Ų5187.4 Ų87.431%0.31347%0.466SS..  trans-72.6145.6173.847.40000110.9F623 M643T621-F623 PolarHBondContact O-N 2.98Å; T621-M643 HydrophobicContact CG2-CE 3.3Å; T621-M643 HydrophobicContact CG2-CG 4.49Å; T621-M643 HydrophobicContact CG2-SD 3.74Å; T621-M643 WeakPolarHBondContact OG1-CG 3.09Å; T621-M643 PolarHBondContact OG1-SD 3.03Å
622V66.6Low65.4Low64 Ų6483.2 Ų83.239%0.38844%0.439SS..  trans-77.6119.7174.21670000108.1Q608 T624Q608-V622 HydrophobicContact CG-CB 4.29Å; Q608-V622 HydrophobicContact CG-CG1 3.34Å; Q608-V622 HydrophobicContact CG-CG2 4.24Å; V622-T624 VanDerWaalsContact C-N 3.26Å; V622-T624 HydrophobicContact CG1-CG2 4.14Å; V622-T624 PolarHBondContact O-N 2.99Å
623F69.1Low67.1Low3 Ų379.7 Ų79.71%0.01343%0.427CS..  trans-71.982.8176.2-67.9-78.5000110.3L596 D600 Q608 T621 Y631 M643 P645L596-F623 HydrophobicContact CD2-CD1 3.63Å; L596-F623 HydrophobicContact CD2-CE1 3.74Å; L596-F623 HydrophobicContact CD2-CG 4.34Å; L596-F623 HydrophobicContact CG-CD1 4.42Å; D600-F623 HydrophobicContact CB-CB 4Å; D600-F623 HydrophobicContact CB-CD2 4.28Å; Q608-F623 PolarHBondContact NE2-O 2.89Å; T621-F623 PolarHBondContact O-N 2.98Å; F623-Y631 HydrophobicContact CE1-CD1 4.45Å; F623-Y631 HydrophobicContact CE1-CD2 4.24Å; F623-Y631 HydrophobicContact CE1-CG 4.07Å; F623-M643 HydrophobicContact CZ-CB 4.44Å; F623-P645 HydrophobicContact CE2-CB 4.31Å; F623-P645 HydrophobicContact CZ-CB 4.44Å
624T76.3Confident68.9Low64 Ų6470.1 Ų70.139%0.39339%0.389SS..  trans-70.8164.3162.568.90000109.5V622 K626 E627 S628V622-T624 VanDerWaalsContact C-N 3.26Å; V622-T624 HydrophobicContact CG1-CG2 4.14Å; V622-T624 PolarHBondContact O-N 2.99Å; T624-K626 PolarHBondContact O-N 3.44Å; T624-K626 VanDerWaalsContact O-N 3.12Å; T624-E627 PolarHBondContact O-N 3.44Å; T624-E627 VanDerWaalsContact O-N 3.16Å; T624-E627 WeakPolarHBondContact OG1-CG 3.43Å; T624-E627 PolarHBondContact OG1-N 3.36Å; T624-S628 WeakPolarHBondContact O-CB 3.01Å; T624-S628 PolarHBondContact O-N 2.85Å; T624-S628 PolarHBondContact O-OG 3.44Å
625V80.8Confident70.8Confident71 Ų7168.3 Ų68.343%0.4337%0.369SS..Hα-helixtrans-54.5-33.7176.2178.10000111.4F594 A597 S628 L629F594-V625 HydrophobicContact CD1-CG1 4.1Å; F594-V625 HydrophobicContact CE1-CG1 3.58Å; F594-V625 HydrophobicContact CZ-CG1 4.2Å; A597-V625 HydrophobicContact CB-CG2 4.16Å; V625-S628 VanDerWaalsContact C-OG 3.32Å; V625-S628 VanDerWaalsContact CA-OG 3.29Å; V625-S628 WeakPolarHBondContact CA-OG 3.44Å; V625-S628 PolarHBondContact O-OG 3.25Å; V625-L629 HydrophobicContact CG1-CD1 4.11Å; V625-L629 WeakPolarHBondContact O-CB 3.27Å; V625-L629 WeakPolarHBondContact O-CD1 3.09Å; V625-L629 VanDerWaalsContact O-CG 3.23Å; V625-L629 WeakPolarHBondContact O-CG 3.29Å; V625-L629 PolarHBondContact O-N 3.46Å
626K84.8Confident72.6Confident157 Ų15761.7 Ų61.768%0.68334%0.336SS*.Hα-helixtrans-69.1-52.8176.1-174-169.6171.5-160.50111.9T624 S628 L629 W630T624-K626 PolarHBondContact O-N 3.44Å; T624-K626 VanDerWaalsContact O-N 3.12Å; K626-S628 VanDerWaalsContact C-N 3.32Å; K626-S628 PolarHBondContact O-N 3.09Å; K626-L629 PolarHBondContact O-N 3.16Å; K626-W630 PolarHBondContact O-N 3.03Å
627E82.5Confident74.4Confident54 Ų5462.7 Ų62.725%0.25233%0.332SS..Hα-helixtrans-65.9-35.5-177.8-60.2-47.7138.100112T624 W630 Y631T624-E627 PolarHBondContact O-N 3.44Å; T624-E627 VanDerWaalsContact O-N 3.16Å; T624-E627 WeakPolarHBondContact OG1-CG 3.43Å; T624-E627 PolarHBondContact OG1-N 3.36Å; E627-W630 PolarHBondContact O-N 3.07Å; E627-Y631 VanDerWaalsContact O-CB 3.25Å; E627-Y631 WeakPolarHBondContact O-CB 3.4Å; E627-Y631 PolarHBondContact O-N 3.17Å
628S84.6Confident76.1Confident0 Ų060.6 Ų60.60%032%0.322CS..Hα-helixtrans-65.1-42.2174.652.70000112.8G593 T624 V625 K626 Y631 V632G593-S628 WeakPolarHBondContact O-CB 3.09Å; G593-S628 PolarHBondContact O-OG 3.18Å; T624-S628 WeakPolarHBondContact O-CB 3.01Å; T624-S628 PolarHBondContact O-N 2.85Å; T624-S628 PolarHBondContact O-OG 3.44Å; V625-S628 VanDerWaalsContact C-OG 3.32Å; V625-S628 VanDerWaalsContact CA-OG 3.29Å; V625-S628 WeakPolarHBondContact CA-OG 3.44Å; V625-S628 PolarHBondContact O-OG 3.25Å; K626-S628 VanDerWaalsContact C-N 3.32Å; K626-S628 PolarHBondContact O-N 3.09Å; S628-Y631 PolarHBondContact O-N 3.05Å; S628-V632 VanDerWaalsContact O-CG2 3.3Å; S628-V632 WeakPolarHBondContact O-CG2 3.05Å; S628-V632 PolarHBondContact O-N 2.04Å
629L86.5Confident77.6Confident40 Ų4064.3 Ų64.321%0.20933%0.332CS..Hα-helixtrans-65.3-40.5174.2-73.1169.8000111.5F590 V625 K626 V632 L633F590-L629 HydrophobicContact CD1-CD1 4.32Å; F590-L629 HydrophobicContact CD1-CD2 3.65Å; F590-L629 HydrophobicContact CE1-CD1 4.27Å; F590-L629 HydrophobicContact CE1-CD2 4.16Å; F590-L629 HydrophobicContact CG-CD2 4.43Å; V625-L629 HydrophobicContact CG1-CD1 4.11Å; V625-L629 WeakPolarHBondContact O-CB 3.27Å; V625-L629 WeakPolarHBondContact O-CD1 3.09Å; V625-L629 VanDerWaalsContact O-CG 3.23Å; V625-L629 WeakPolarHBondContact O-CG 3.29Å; V625-L629 PolarHBondContact O-N 3.46Å; K626-L629 PolarHBondContact O-N 3.16Å; L629-V632 PolarHBondContact O-N 2.84Å; L629-L633 WeakPolarHBondContact O-CB 3.49Å; L629-L633 PolarHBondContact O-N 3.33Å
630W85.2Confident78.4Confident152 Ų15260.2 Ų60.258%0.57633%0.33SS*.Hα-helixtrans-64.1-42.8176.1-168.7-107.6000112.1K626 E627 V632 L633 G634K626-W630 PolarHBondContact O-N 3.03Å; E627-W630 PolarHBondContact O-N 3.07Å; W630-V632 PolarHBondContact O-N 3.13Å; W630-L633 HydrophobicContact CE3-CD2 4.1Å; W630-L633 HydrophobicContact CZ3-CD2 3.98Å; W630-L633 WeakPolarHBondContact O-CB 3.45Å; W630-L633 PolarHBondContact O-N 3.43Å; W630-G634 PolarHBondContact O-N 3.49Å
631Y84.5Confident78.9Confident14 Ų1463.2 Ų63.26%0.05534%0.341CS..Hα-helixtrans-61-44.2176.5-177.5-93.5000112.8L596 F623 E627 S628 L633 G634 S635 M643 V654L596-Y631 HydrophobicContact CD2-CD1 3.97Å; F623-Y631 HydrophobicContact CE1-CD1 4.45Å; F623-Y631 HydrophobicContact CE1-CD2 4.24Å; F623-Y631 HydrophobicContact CE1-CG 4.07Å; E627-Y631 VanDerWaalsContact O-CB 3.25Å; E627-Y631 WeakPolarHBondContact O-CB 3.4Å; E627-Y631 PolarHBondContact O-N 3.17Å; S628-Y631 PolarHBondContact O-N 3.05Å; Y631-L633 VanDerWaalsContact C-N 3.34Å; Y631-G634 PolarHBondContact O-N 2.93Å; Y631-S635 PolarHBondContact O-N 3.27Å; Y631-S635 PolarHBondContact O-OG 3.34Å; Y631-M643 HydrophobicContact CD2-CB 3.86Å; Y631-M643 HydrophobicContact CE2-CB 3.89Å; Y631-M643 VanDerWaalsContact CE2-O 3.29Å; Y631-M643 WeakPolarHBondContact CE2-O 3.04Å; Y631-V654 HydrophobicContact CE1-CG1 4.03Å; Y631-V654 HydrophobicContact CE1-CG2 3.74Å; Y631-V654 WeakPolarHBondContact OH-CG1 3.39Å
632V87.1Confident79Confident0 Ų071.7 Ų71.70%037%0.369CS..Hα-helixtrans-65.1-41.3176.3176.40000110.3V589 I592 S628 L629 W630 S635 C636 L657V589-V632 HydrophobicContact CB-CG1 4.21Å; V589-V632 HydrophobicContact CG1-CB 4.47Å; V589-V632 HydrophobicContact CG1-CG1 3.85Å; V589-V632 HydrophobicContact CG2-CG1 4.19Å; I592-V632 HydrophobicContact CG2-CG1 4.48Å; I592-V632 HydrophobicContact CG2-CG2 3.98Å; S628-V632 VanDerWaalsContact O-CG2 3.3Å; S628-V632 WeakPolarHBondContact O-CG2 3.05Å; S628-V632 PolarHBondContact O-N 2.04Å; L629-V632 PolarHBondContact O-N 2.84Å; W630-V632 PolarHBondContact O-N 3.13Å; V632-S635 PolarHBondContact O-N 3.45Å; V632-C636 PolarHBondContact O-N 2.88Å; V632-C636 PolarHBondContact O-SG 3.28Å; V632-C636 VanDerWaalsContact O-SG 3.38Å; V632-L657 HydrophobicContact CB-CD2 4.31Å; V632-L657 HydrophobicContact CG1-CD1 4.16Å; V632-L657 HydrophobicContact CG1-CD2 4.02Å; V632-L657 HydrophobicContact CG2-CD2 4.03Å
633L86.4Confident78.9Confident84 Ų8469.6 Ų69.644%0.4436%0.355SS..Hα-helixtrans-62.9-43.3176.7-17168.2000112.1L629 W630 Y631 C636 T637L629-L633 WeakPolarHBondContact O-CB 3.49Å; L629-L633 PolarHBondContact O-N 3.33Å; W630-L633 HydrophobicContact CE3-CD2 4.1Å; W630-L633 HydrophobicContact CZ3-CD2 3.98Å; W630-L633 WeakPolarHBondContact O-CB 3.45Å; W630-L633 PolarHBondContact O-N 3.43Å; Y631-L633 VanDerWaalsContact C-N 3.34Å; L633-C636 WeakPolarHBondContact O-CB 3.29Å; L633-C636 PolarHBondContact O-N 2.82Å; L633-T637 PolarHBondContact O-N 3.42Å; L633-T637 VanDerWaalsContact O-N 3.16Å; L633-T637 PolarHBondContact O-OG1 3.37Å
634G85.2Confident78.8Confident14 Ų1475.3 Ų75.314%0.14439%0.386CS..Hα-helixtrans-62.9-40.517500000112.8W630 Y631 C636 T637 Q638 Q639W630-G634 PolarHBondContact O-N 3.49Å; Y631-G634 PolarHBondContact O-N 2.93Å; G634-C636 VanDerWaalsContact C-N 3.32Å; G634-C636 PolarHBondContact O-N 2.75Å; G634-T637 PolarHBondContact O-N 2.99Å; G634-T637 PolarHBondContact O-OG1 3.41Å; G634-Q638 PolarHBondContact O-N 2.94Å; G634-Q639 CarbonylContact C-O 3.52Å; G634-Q639 VanDerWaalsContact C-O 3.25Å; G634-Q639 CarbonylContact O-C 3.52Å; G634-Q639 PolarHBondContact O-N 2.93Å
635S83.7Confident78.4Confident15 Ų1572.7 Ų72.711%0.10537%0.37CS..Hα-helixtrans-61.2-40.3174.1-62.30000112.1Y631 V632 T637 Q638Y631-S635 PolarHBondContact O-N 3.27Å; Y631-S635 PolarHBondContact O-OG 3.34Å; V632-S635 PolarHBondContact O-N 3.45Å; S635-T637 VanDerWaalsContact C-N 3.34Å; S635-T637 PolarHBondContact O-N 2.75Å; S635-Q638 PolarHBondContact O-N 3.28Å
636C84.6Confident77.8Confident44 Ų4473.4 Ų73.430%0.29737%0.365SS..Hα-helixtrans-64.6-34.5175.9-72.90000113.2V632 L633 G634 Q638 V661V632-C636 PolarHBondContact O-N 2.88Å; V632-C636 PolarHBondContact O-SG 3.28Å; V632-C636 VanDerWaalsContact O-SG 3.38Å; L633-C636 WeakPolarHBondContact O-CB 3.29Å; L633-C636 PolarHBondContact O-N 2.82Å; G634-C636 VanDerWaalsContact C-N 3.32Å; G634-C636 PolarHBondContact O-N 2.75Å; C636-Q638 VanDerWaalsContact C-N 3.25Å; C636-Q638 PolarHBondContact O-N 2.99Å; C636-V661 HydrophobicContact CB-CG2 4.46Å
637T81.9Confident77.4Confident74 Ų7466 Ų6645%0.45433%0.333SS..THydrogen-bonded Turntrans-84.76.5178.358.20000113.6L633 G634 S635 Q639L633-T637 PolarHBondContact O-N 3.42Å; L633-T637 VanDerWaalsContact O-N 3.16Å; L633-T637 PolarHBondContact O-OG1 3.37Å; G634-T637 PolarHBondContact O-N 2.99Å; G634-T637 PolarHBondContact O-OG1 3.41Å; S635-T637 VanDerWaalsContact C-N 3.34Å; S635-T637 PolarHBondContact O-N 2.75Å; T637-Q639 PolarHBondContact O-N 3.12Å; T637-Q639 VanDerWaalsContact O-N 3.09Å
638Q80.3Confident77.3Confident130 Ų13067 Ų6761%0.60735%0.35SS*.THydrogen-bonded Turntrans57.613.1-170.5-54.6-178.3-13.100113.8G634 S635 C636 G640 I665G634-Q638 PolarHBondContact O-N 2.94Å; S635-Q638 PolarHBondContact O-N 3.28Å; C636-Q638 VanDerWaalsContact C-N 3.25Å; C636-Q638 PolarHBondContact O-N 2.99Å; Q638-G640 PolarHBondContact O-N 2.98Å; Q638-I665 HydrophobicContact CG-CD1 3.85Å
639Q77.2Confident77.3Confident146 Ų14670.4 Ų70.468%0.68237%0.374SS*.  trans-88.994.5173.9-63.8-175.28.400107.5G634 T637 E641G634-Q639 CarbonylContact C-O 3.52Å; G634-Q639 VanDerWaalsContact C-O 3.25Å; G634-Q639 CarbonylContact O-C 3.52Å; G634-Q639 PolarHBondContact O-N 2.93Å; T637-Q639 PolarHBondContact O-N 3.12Å; T637-Q639 VanDerWaalsContact O-N 3.09Å; Q639-E641 PolarHBondContact O-N 2.79Å
640G66.1Low77.1Confident73 Ų7368.5 Ų68.575%0.75336%0.364SS*.  trans-67.5120.4176.600000110.9Q638Q638-G640 PolarHBondContact O-N 2.98Å
641E65.7Low77.1Confident78 Ų7868 Ų6836%0.36436%0.362SS..  trans-91.3146.2167.3-159.7171.8-164.900109.7Q639 M643Q639-E641 PolarHBondContact O-N 2.79Å; E641-M643 HydrophobicContact CB-CG 4.4Å; E641-M643 HydrophobicContact CG-CE 4.12Å; E641-M643 HydrophobicContact CG-CG 3.97Å; E641-M643 HydrophobicContact CG-SD 4.49Å; E641-M643 PolarHBondContact O-N 3.12Å; E641-M643 VanDerWaalsContact OE1-CE 3.31Å; E641-M643 WeakPolarHBondContact OE1-CE 3Å
642Y60.2Low77.3Confident228 Ų22872.5 Ų72.589%0.89439%0.391SS*.SBendtrans-75.159.7177.8-71.5-86.2000111.6
643M64.1Low77.3Confident20 Ų2074.5 Ų74.510%0.09940%0.401CS..  trans-120.792176.5-55.7-154.416900109.3T621 F623 Y631 E641 P645T621-M643 HydrophobicContact CG2-CE 3.3Å; T621-M643 HydrophobicContact CG2-CG 4.49Å; T621-M643 HydrophobicContact CG2-SD 3.74Å; T621-M643 WeakPolarHBondContact OG1-CG 3.09Å; T621-M643 PolarHBondContact OG1-SD 3.03Å; F623-M643 HydrophobicContact CZ-CB 4.44Å; Y631-M643 HydrophobicContact CD2-CB 3.86Å; Y631-M643 HydrophobicContact CE2-CB 3.89Å; Y631-M643 VanDerWaalsContact CE2-O 3.29Å; Y631-M643 WeakPolarHBondContact CE2-O 3.04Å; E641-M643 HydrophobicContact CB-CG 4.4Å; E641-M643 HydrophobicContact CG-CE 4.12Å; E641-M643 HydrophobicContact CG-CG 3.97Å; E641-M643 HydrophobicContact CG-SD 4.49Å; E641-M643 PolarHBondContact O-N 3.12Å; E641-M643 VanDerWaalsContact OE1-CE 3.31Å; E641-M643 WeakPolarHBondContact OE1-CE 3Å; M643-P645 WeakPolarHBondContact O-CD 3.45Å
644D66Low77.3Confident124 Ų12470.7 Ų70.766%0.66338%0.381SS*.  trans-83112.1-178.5-76.6-32.6000111.4R646D644-R646 PolarHBondContact O-N 2.84Å
645P69.4Low77.4Confident9 Ų972.4 Ų72.46%0.05839%0.394CS..  trans-61.7124.7169.722.4-31000110.9F623 M643 T650 R651 V654F623-P645 HydrophobicContact CE2-CB 4.31Å; F623-P645 HydrophobicContact CZ-CB 4.44Å; M643-P645 WeakPolarHBondContact O-CD 3.45Å; P645-T650 VanDerWaalsContact CB-OG1 3.23Å; P645-T650 WeakPolarHBondContact CB-OG1 3.19Å; P645-R651 HydrophobicContact CB-CG 4.38Å; P645-R651 HydrophobicContact CG-CG 4.11Å; P645-R651 WeakPolarHBondContact O-CG 3.33Å; P645-R651 PolarHBondContact O-NE 2.75Å; P645-V654 HydrophobicContact CG-CG2 4.17Å
646R67.5Low77.7Confident85 Ų8573.6 Ų73.632%0.32141%0.409SS..  trans-78.1-37.7178.5-171.9173.5176.9-163.6-9.3113.3Y607 D644Y607-R646 HydrophobicContact CD2-CB 4.21Å; Y607-R646 HydrophobicContact CE2-CB 3.85Å; D644-R646 PolarHBondContact O-N 2.84Å
647S77.1Confident77.8Confident3 Ų371.9 Ų71.92%0.02140%0.397CS..SBendtrans-71.4138-176.1176.30000111.7S649 T650 R651S647-S649 PolarHBondContact O-N 3.44Å; S647-S649 PolarHBondContact OG-N 3.15Å; S647-T650 WeakPolarHBondContact CB-OG1 3.45Å; S647-T650 PolarHBondContact O-N 3.31Å; S647-T650 PolarHBondContact O-OG1 3.42Å; S647-R651 WeakPolarHBondContact O-CG 3.37Å; S647-R651 PolarHBondContact O-N 3.21Å
648A79.8Confident78.1Confident73 Ų7375 Ų7560%0.60340%0.4SS*.Hα-helixtrans-59-37.117600000111.8R651 V652A648-R651 PolarHBondContact O-N 2.91Å; A648-V652 WeakPolarHBondContact O-CG2 3.38Å; A648-V652 PolarHBondContact O-N 2.99Å
649S83.7Confident78.6Confident72 Ų7274 Ų7450%0.50340%0.398SS..Hα-helixtrans-65.3-41.1179-50.60000112.4S647 L653S647-S649 PolarHBondContact O-N 3.44Å; S647-S649 PolarHBondContact OG-N 3.15Å; S649-L653 PolarHBondContact O-N 3.23Å; S649-L653 VanDerWaalsContact O-N 3.15Å
650T83.3Confident79.2Confident0 Ų070.2 Ų70.20%038%0.383CS..Hα-helixtrans-72-35.9176.848.80000111.4L596 I599 P645 S647 V652 L653 V654L596-T650 HydrophobicContact CD1-CG2 4.35Å; I599-T650 HydrophobicContact CB-CG2 4.16Å; I599-T650 HydrophobicContact CG2-CG2 3.6Å; P645-T650 VanDerWaalsContact CB-OG1 3.23Å; P645-T650 WeakPolarHBondContact CB-OG1 3.19Å; S647-T650 WeakPolarHBondContact CB-OG1 3.45Å; S647-T650 PolarHBondContact O-N 3.31Å; S647-T650 PolarHBondContact O-OG1 3.42Å; T650-V652 PolarHBondContact O-N 3.06Å; T650-L653 PolarHBondContact O-N 3.44Å; T650-V654 WeakPolarHBondContact O-CB 3.29Å; T650-V654 VanDerWaalsContact O-CG2 3.3Å; T650-V654 WeakPolarHBondContact O-CG2 3.15Å; T650-V654 PolarHBondContact O-N 3.39Å
651R84.9Confident80.3Confident143 Ų14367.4 Ų67.454%0.5435%0.351SS..Hα-helixtrans-59.5-44.1173.3-71.5174.6-179.4-163.9-3.9113P645 S647 A648 V654 A655P645-R651 HydrophobicContact CB-CG 4.38Å; P645-R651 HydrophobicContact CG-CG 4.11Å; P645-R651 WeakPolarHBondContact O-CG 3.33Å; P645-R651 PolarHBondContact O-NE 2.75Å; S647-R651 WeakPolarHBondContact O-CG 3.37Å; S647-R651 PolarHBondContact O-N 3.21Å; A648-R651 PolarHBondContact O-N 2.91Å; R651-V654 PolarHBondContact O-N 2.62Å; R651-A655 WeakPolarHBondContact O-CB 3.44Å; R651-A655 PolarHBondContact O-N 2.98Å
652V88.2Confident81.4Confident108 Ų10869 Ų6966%0.65536%0.362SS*.Hα-helixtrans-66.4-40.9177.2174.40000111A648 T650 A655 G656A648-V652 WeakPolarHBondContact O-CG2 3.38Å; A648-V652 PolarHBondContact O-N 2.99Å; T650-V652 PolarHBondContact O-N 3.06Å; V652-A655 PolarHBondContact O-N 3.21Å; V652-G656 PolarHBondContact O-N 3Å
653L87.5Confident82.9Confident41 Ų4162.1 Ų62.122%0.21534%0.339CS..Hα-helixtrans-60.6-46.2175-177.968.6000111.7L595 L596 I599 S649 T650 G656 L657L595-L653 HydrophobicContact CB-CD2 4.26Å; L596-L653 HydrophobicContact CB-CD2 4.21Å; L596-L653 HydrophobicContact CD1-CD2 3.95Å; I599-L653 HydrophobicContact CD1-CD2 4Å; S649-L653 PolarHBondContact O-N 3.23Å; S649-L653 VanDerWaalsContact O-N 3.15Å; T650-L653 PolarHBondContact O-N 3.44Å; L653-G656 PolarHBondContact O-N 3.25Å; L653-L657 PolarHBondContact O-N 3.2Å
654V86Confident84.1Confident4 Ų464 Ų642%0.02435%0.349CS..Hα-helixtrans-65.7-40.2178.5170.10000111.5L596 Y631 P645 T650 R651 G656 L657 W658L596-V654 HydrophobicContact CD1-CG2 3.79Å; Y631-V654 HydrophobicContact CE1-CG1 4.03Å; Y631-V654 HydrophobicContact CE1-CG2 3.74Å; Y631-V654 WeakPolarHBondContact OH-CG1 3.39Å; P645-V654 HydrophobicContact CG-CG2 4.17Å; T650-V654 WeakPolarHBondContact O-CB 3.29Å; T650-V654 VanDerWaalsContact O-CG2 3.3Å; T650-V654 WeakPolarHBondContact O-CG2 3.15Å; T650-V654 PolarHBondContact O-N 3.39Å; R651-V654 PolarHBondContact O-N 2.62Å; V654-G656 VanDerWaalsContact C-N 3.31Å; V654-G656 PolarHBondContact O-N 3.42Å; V654-L657 WeakPolarHBondContact O-CB 3.38Å; V654-L657 PolarHBondContact O-N 2.91Å; V654-L657 VanDerWaalsContact O-N 3.16Å; V654-W658 HydrophobicContact CG1-CD2 4.11Å; V654-W658 VanDerWaalsContact CG1-CE2 3.49Å; V654-W658 HydrophobicContact CG1-CH2 4.28Å; V654-W658 HydrophobicContact CG1-CZ2 3.59Å; V654-W658 PolarHBondContact O-N 3.46Å
655A88.1Confident85.3Confident50 Ų5060.6 Ų60.641%0.41333%0.33SS..Hα-helixtrans-61.5-39.9173.400000112.1R651 V652 W658 L659R651-A655 WeakPolarHBondContact O-CB 3.44Å; R651-A655 PolarHBondContact O-N 2.98Å; V652-A655 PolarHBondContact O-N 3.21Å; A655-W658 PolarHBondContact O-N 2.73Å; A655-L659 PolarHBondContact O-N 3.38Å; A655-L659 VanDerWaalsContact O-N 3.08Å
656G89.4Confident86.3Confident41 Ų4163.1 Ų63.142%0.42335%0.352SS..Hα-helixtrans-63.6-39.4172.700000112.8V652 L653 V654 L659 L660V652-G656 PolarHBondContact O-N 3Å; L653-G656 PolarHBondContact O-N 3.25Å; V654-G656 VanDerWaalsContact C-N 3.31Å; V654-G656 PolarHBondContact O-N 3.42Å; G656-L659 PolarHBondContact O-N 3.16Å; G656-L660 WeakPolarHBondContact O-CB 3.23Å; G656-L660 PolarHBondContact O-N 2.96Å
657L87.5Confident87.4Confident7 Ų763.4 Ų63.44%0.03736%0.358CS..Hα-helixtrans-62.6-45.5173.5173.465.9000111.6I592 V632 L653 V654 L659 L660 V661I592-L657 HydrophobicContact CD1-CD1 3.89Å; I592-L657 HydrophobicContact CG2-CD1 4.35Å; I592-L657 HydrophobicContact CG2-CD2 4.31Å; V632-L657 HydrophobicContact CB-CD2 4.31Å; V632-L657 HydrophobicContact CG1-CD1 4.16Å; V632-L657 HydrophobicContact CG1-CD2 4.02Å; V632-L657 HydrophobicContact CG2-CD2 4.03Å; L653-L657 PolarHBondContact O-N 3.2Å; V654-L657 WeakPolarHBondContact O-CB 3.38Å; V654-L657 PolarHBondContact O-N 2.91Å; V654-L657 VanDerWaalsContact O-N 3.16Å; L657-L659 VanDerWaalsContact C-N 3.31Å; L657-L659 PolarHBondContact O-N 3.27Å; L657-L660 WeakPolarHBondContact O-CB 2.89Å; L657-L660 PolarHBondContact O-N 3.31Å; L657-V661 HydrophobicContact CD1-CG2 4.1Å; L657-V661 HydrophobicContact CG-CG2 4.47Å; L657-V661 WeakPolarHBondContact O-CG2 3.27Å; L657-V661 PolarHBondContact O-N 3.34Å
658W87.7Confident88.1Confident139 Ų13965.6 Ų65.653%0.52737%0.367SS..Hα-helixtrans-59.6-42.8176.6-66.2-19000111.9V654 A655 V661 L662V654-W658 HydrophobicContact CG1-CD2 4.11Å; V654-W658 VanDerWaalsContact CG1-CE2 3.49Å; V654-W658 HydrophobicContact CG1-CH2 4.28Å; V654-W658 HydrophobicContact CG1-CZ2 3.59Å; V654-W658 PolarHBondContact O-N 3.46Å; A655-W658 PolarHBondContact O-N 2.73Å; W658-V661 PolarHBondContact O-N 3.09Å; W658-L662 WeakPolarHBondContact O-CB 3.3Å; W658-L662 VanDerWaalsContact O-CG 3.29Å; W658-L662 WeakPolarHBondContact O-CG 3.27Å; W658-L662 PolarHBondContact O-N 2.6Å
659L90.4Very high88.5Confident109 Ų10965.4 Ų65.457%0.57136%0.361SS*.Hα-helixtrans-62.9-42.9175.8-174.7148.8000111.6A655 G656 L657 L662 I663A655-L659 PolarHBondContact O-N 3.38Å; A655-L659 VanDerWaalsContact O-N 3.08Å; G656-L659 PolarHBondContact O-N 3.16Å; L657-L659 VanDerWaalsContact C-N 3.31Å; L657-L659 PolarHBondContact O-N 3.27Å; L659-L662 PolarHBondContact O-N 3.05Å; L659-I663 HydrophobicContact CD2-CD1 3.46Å; L659-I663 VanDerWaalsContact CD2-CD1 3.46Å; L659-I663 HydrophobicContact CD2-CG1 4.37Å; L659-I663 HydrophobicContact CG-CD1 4.3Å; L659-I663 WeakPolarHBondContact O-CG1 3.48Å; L659-I663 PolarHBondContact O-N 3.08Å
660L89.7Confident88.9Confident68 Ų6864.8 Ų64.836%0.35636%0.36SS..Hα-helixtrans-60.4-47.5176.2-18067.7000111.7I592 G656 L657 I663 I664I592-L660 HydrophobicContact CD1-CD2 4.06Å; G656-L660 WeakPolarHBondContact O-CB 3.23Å; G656-L660 PolarHBondContact O-N 2.96Å; L657-L660 WeakPolarHBondContact O-CB 2.89Å; L657-L660 PolarHBondContact O-N 3.31Å; L660-I663 PolarHBondContact O-N 3.46Å; L660-I664 HydrophobicContact CD1-CD1 4.12Å; L660-I664 HydrophobicContact CG-CD1 3.92Å; L660-I664 VanDerWaalsContact O-CG1 3.32Å; L660-I664 WeakPolarHBondContact O-CG1 3.46Å; L660-I664 PolarHBondContact O-N 3.36Å
661V89.7Confident89.1Confident13 Ų1368.4 Ų68.48%0.07938%0.38CS..Hα-helixtrans-62.5-44.3179.1171.30000111C636 L657 W658 I663 I664 I665C636-V661 HydrophobicContact CB-CG2 4.46Å; L657-V661 HydrophobicContact CD1-CG2 4.1Å; L657-V661 HydrophobicContact CG-CG2 4.47Å; L657-V661 WeakPolarHBondContact O-CG2 3.27Å; L657-V661 PolarHBondContact O-N 3.34Å; W658-V661 PolarHBondContact O-N 3.09Å; V661-I663 VanDerWaalsContact C-N 3.33Å; V661-I663 PolarHBondContact O-N 2.92Å; V661-I664 PolarHBondContact O-N 2.99Å; V661-I665 HydrophobicContact CG1-CD1 3.65Å; V661-I665 HydrophobicContact CG1-CG1 4.32Å; V661-I665 WeakPolarHBondContact O-CG1 3.32Å; V661-I665 PolarHBondContact O-N 3.17Å
662L90Very high89.1Confident113 Ų11363.5 Ų63.559%0.59236%0.364SS*.Hα-helixtrans-59.6-42.8176.7-74.8173.6000112.2W658 L659 A666W658-L662 WeakPolarHBondContact O-CB 3.3Å; W658-L662 VanDerWaalsContact O-CG 3.29Å; W658-L662 WeakPolarHBondContact O-CG 3.27Å; W658-L662 PolarHBondContact O-N 2.6Å; L659-L662 PolarHBondContact O-N 3.05Å; L662-A666 WeakPolarHBondContact O-CB 3.47Å; L662-A666 PolarHBondContact O-N 3.47Å
663I91.3Very high88.9Confident83 Ų8361 Ų6143%0.42635%0.354SS..Hα-helixtrans-65.1-44.9177-68.8174000110.9L659 L660 V661 I665 A666 M667L659-I663 HydrophobicContact CD2-CD1 3.46Å; L659-I663 VanDerWaalsContact CD2-CD1 3.46Å; L659-I663 HydrophobicContact CD2-CG1 4.37Å; L659-I663 HydrophobicContact CG-CD1 4.3Å; L659-I663 WeakPolarHBondContact O-CG1 3.48Å; L659-I663 PolarHBondContact O-N 3.08Å; L660-I663 PolarHBondContact O-N 3.46Å; V661-I663 VanDerWaalsContact C-N 3.33Å; V661-I663 PolarHBondContact O-N 2.92Å; I663-I665 PolarHBondContact O-N 3.35Å; I663-A666 PolarHBondContact O-N 3.4Å; I663-M667 HydrophobicContact CG2-CE 3.83Å; I663-M667 HydrophobicContact CG2-CG 4.37Å; I663-M667 HydrophobicContact CG2-SD 4.11Å; I663-M667 WeakPolarHBondContact O-CB 3.32Å; I663-M667 VanDerWaalsContact O-CG 3.31Å; I663-M667 WeakPolarHBondContact O-CG 3.13Å; I663-M667 PolarHBondContact O-N 3.25Å
664I89.9Confident88.7Confident58 Ų5861.3 Ų61.330%0.29736%0.363SS..Hα-helixtrans-60.8-46.4179.1-70170.1000110.9F577 L660 V661 M667 F668F577-I664 HydrophobicContact CE2-CG2 4.09Å; F577-I664 HydrophobicContact CZ-CG2 4.43Å; L660-I664 HydrophobicContact CD1-CD1 4.12Å; L660-I664 HydrophobicContact CG-CD1 3.92Å; L660-I664 VanDerWaalsContact O-CG1 3.32Å; L660-I664 WeakPolarHBondContact O-CG1 3.46Å; L660-I664 PolarHBondContact O-N 3.36Å; V661-I664 PolarHBondContact O-N 2.99Å; I664-M667 HydrophobicContact CG1-CE 4.47Å; I664-M667 PolarHBondContact O-N 3.11Å; I664-F668 WeakPolarHBondContact O-CB 3.2Å; I664-F668 PolarHBondContact O-N 3.02Å
665I89.3Confident88.3Confident54 Ų5464.2 Ų64.228%0.27738%0.375SS..Hα-helixtrans-64.8-43.7179.8-67.2173.9000110.8Q638 V661 I663 M667 F668 S669Q638-I665 HydrophobicContact CG-CD1 3.85Å; V661-I665 HydrophobicContact CG1-CD1 3.65Å; V661-I665 HydrophobicContact CG1-CG1 4.32Å; V661-I665 WeakPolarHBondContact O-CG1 3.32Å; V661-I665 PolarHBondContact O-N 3.17Å; I663-I665 PolarHBondContact O-N 3.35Å; I665-M667 PolarHBondContact O-N 3.45Å; I665-F668 PolarHBondContact O-N 2.81Å; I665-S669 PolarHBondContact O-N 2.74Å; I665-S669 PolarHBondContact O-OG 3.12Å
666A91.4Very high87.6Confident61 Ų6164.2 Ų64.250%0.50437%0.368SS..Hα-helixtrans-61.9-43.5177.100000112.3L662 I663 S669 A670L662-A666 WeakPolarHBondContact O-CB 3.47Å; L662-A666 PolarHBondContact O-N 3.47Å; I663-A666 PolarHBondContact O-N 3.4Å; A666-S669 PolarHBondContact O-N 3.28Å; A666-A670 WeakPolarHBondContact O-CB 3.48Å; A666-A670 PolarHBondContact O-N 2.95Å
667M91.1Very high86.8Confident92 Ų9266.9 Ų66.945%0.45338%0.376SS..Hα-helixtrans-65.2-40175.4-71-172.3-53.200112F577 I663 I664 I665 A670 N671F577-M667 HydrophobicContact CZ-CB 4.42Å; I663-M667 HydrophobicContact CG2-CE 3.83Å; I663-M667 HydrophobicContact CG2-CG 4.37Å; I663-M667 HydrophobicContact CG2-SD 4.11Å; I663-M667 WeakPolarHBondContact O-CB 3.32Å; I663-M667 VanDerWaalsContact O-CG 3.31Å; I663-M667 WeakPolarHBondContact O-CG 3.13Å; I663-M667 PolarHBondContact O-N 3.25Å; I664-M667 HydrophobicContact CG1-CE 4.47Å; I664-M667 PolarHBondContact O-N 3.11Å; I665-M667 PolarHBondContact O-N 3.45Å; M667-A670 PolarHBondContact O-N 2.72Å; M667-N671 VanDerWaalsContact O-CB 3.28Å; M667-N671 WeakPolarHBondContact O-CB 2.95Å; M667-N671 PolarHBondContact O-N 2.87Å; M667-N671 PolarHBondContact O-ND2 2.87Å
668F90.6Very high85.8Confident49 Ų4970.6 Ų70.622%0.21540%0.399CS..Hα-helixtrans-60.6-50.5176.4-178.2-97.6000111F573 V576 F577 I664 I665 A670 N671 L672F573-F668 WeakPolarHBondContact O-CE2 3.49Å; F573-F668 WeakPolarHBondContact O-CZ 3.1Å; V576-F668 HydrophobicContact CB-CD2 4.07Å; V576-F668 HydrophobicContact CB-CE2 3.82Å; V576-F668 HydrophobicContact CG1-CD2 3.9Å; V576-F668 HydrophobicContact CG1-CE2 4.15Å; V576-F668 HydrophobicContact CG2-CE2 4.2Å; F577-F668 AromaticContact CD2-CD2 3.79Å; F577-F668 HydrophobicContact CD2-CD2 3.79Å; F577-F668 HydrophobicContact CE2-CB 3.75Å; F577-F668 AromaticContact CE2-CD2 3.57Å; F577-F668 HydrophobicContact CE2-CD2 3.57Å; F577-F668 HydrophobicContact CE2-CG 4.12Å; F577-F668 HydrophobicContact CZ-CB 3.71Å; F577-F668 HydrophobicContact CZ-CD2 4.11Å; F577-F668 HydrophobicContact CZ-CG 4.43Å; I664-F668 WeakPolarHBondContact O-CB 3.2Å; I664-F668 PolarHBondContact O-N 3.02Å; I665-F668 PolarHBondContact O-N 2.81Å; F668-A670 PolarHBondContact O-N 3.29Å; F668-N671 PolarHBondContact O-N 3.14Å; F668-L672 VanDerWaalsContact O-CB 3.3Å; F668-L672 WeakPolarHBondContact O-CB 3.39Å; F668-L672 PolarHBondContact O-N 3.28Å
669S89.5Confident84.6Confident69 Ų6965.4 Ų65.448%0.48338%0.384SS..Hα-helixtrans-61.9-41.6177.6-63.90000112.7I665 A666 A673I665-S669 PolarHBondContact O-N 2.74Å; I665-S669 PolarHBondContact O-OG 3.12Å; A666-S669 PolarHBondContact O-N 3.28Å; S669-A673 WeakPolarHBondContact O-CB 3.38Å; S669-A673 PolarHBondContact O-N 2.85Å
670A90.4Very high83Confident58 Ų5863.4 Ų63.448%0.47939%0.39SS..Hα-helixtrans-65.7-44.6178.100000112.3A666 M667 F668 A673 A674A666-A670 WeakPolarHBondContact O-CB 3.48Å; A666-A670 PolarHBondContact O-N 2.95Å; M667-A670 PolarHBondContact O-N 2.72Å; F668-A670 PolarHBondContact O-N 3.29Å; A670-A673 PolarHBondContact O-N 3.43Å; A670-A674 WeakPolarHBondContact O-CB 3.37Å; A670-A674 PolarHBondContact O-N 3.42Å
671N88.3Confident81.1Confident77 Ų7767.4 Ų67.441%0.41241%0.411SS..Hα-helixtrans-69.7-34.9179.6-70.4-12.3000111.9V576 M667 F668 A674 K675V576-N671 HydrophobicContact CG1-CB 3.43Å; V576-N671 VanDerWaalsContact CG1-CB 3.43Å; M667-N671 VanDerWaalsContact O-CB 3.28Å; M667-N671 WeakPolarHBondContact O-CB 2.95Å; M667-N671 PolarHBondContact O-N 2.87Å; M667-N671 PolarHBondContact O-ND2 2.87Å; F668-N671 PolarHBondContact O-N 3.14Å; N671-A674 PolarHBondContact O-N 2.92Å; N671-K675 WeakPolarHBondContact O-CB 3.08Å; N671-K675 PolarHBondContact O-N 3.34Å
672L85.7Confident79.2Confident39 Ų3973.1 Ų73.120%0.20444%0.437CS..Hα-helixtrans-62-48.3172-177.467.1000111F572 F573 V576 F668 A674 K675 L676F572-L672 HydrophobicContact CD2-CD1 4.11Å; F572-L672 HydrophobicContact CE2-CD1 3.57Å; F572-L672 HydrophobicContact CZ-CD1 4.48Å; F573-L672 HydrophobicContact CB-CD1 4.22Å; V576-L672 HydrophobicContact CG2-CB 4.06Å; V576-L672 HydrophobicContact CG2-CD1 3.69Å; V576-L672 HydrophobicContact CG2-CG 4.5Å; F668-L672 VanDerWaalsContact O-CB 3.3Å; F668-L672 WeakPolarHBondContact O-CB 3.39Å; F668-L672 PolarHBondContact O-N 3.28Å; L672-A674 PolarHBondContact O-N 3.05Å; L672-K675 PolarHBondContact O-N 3.03Å; L672-L676 HydrophobicContact CG-CD1 4.41Å; L672-L676 WeakPolarHBondContact O-CG 3.49Å; L672-L676 PolarHBondContact O-N 3Å
673A83.8Confident77.5Confident55 Ų5569.7 Ų69.746%0.45543%0.429SS..Hα-helixtrans-60.7-43.9176.500000111.8S669 A670 K675 L676 T677S669-A673 WeakPolarHBondContact O-CB 3.38Å; S669-A673 PolarHBondContact O-N 2.85Å; A670-A673 PolarHBondContact O-N 3.43Å; A673-K675 PolarHBondContact O-N 3.02Å; A673-L676 PolarHBondContact O-N 3.44Å; A673-T677 WeakPolarHBondContact O-CG2 3.28Å; A673-T677 PolarHBondContact O-N 3.39Å; A673-T677 PolarHBondContact O-OG1 2.75Å
674A83.5Confident75.8Confident48 Ų4868.9 Ų68.940%0.39742%0.423SS..Hα-helixtrans-60.3-45.1175.200000111.6A670 N671 L672 L676 T677 V678A670-A674 WeakPolarHBondContact O-CB 3.37Å; A670-A674 PolarHBondContact O-N 3.42Å; N671-A674 PolarHBondContact O-N 2.92Å; L672-A674 PolarHBondContact O-N 3.05Å; A674-L676 PolarHBondContact O-N 3.14Å; A674-T677 WeakPolarHBondContact CA-OG1 3.48Å; A674-T677 PolarHBondContact O-N 3.29Å; A674-T677 PolarHBondContact O-OG1 3.38Å; A674-V678 WeakPolarHBondContact O-CG2 3.37Å; A674-V678 PolarHBondContact O-N 2.78Å
675K77.7Confident74.2Confident66 Ų6668.7 Ų68.729%0.28742%0.422SS..Hα-helixtrans-61.9-44.6178.8-165.9167-172.8177.40111.7D575 N671 L672 A673 T677 V678 S679D575-K675 PolarHBondContact O-NZ 3.12Å; D575-K675 IonicContact OD2-NZ 3.91Å; D575-K675 PolarHBondContact OD2-NZ 2.96Å; N671-K675 WeakPolarHBondContact O-CB 3.08Å; N671-K675 PolarHBondContact O-N 3.34Å; L672-K675 PolarHBondContact O-N 3.03Å; A673-K675 PolarHBondContact O-N 3.02Å; K675-T677 VanDerWaalsContact C-N 3.32Å; K675-T677 PolarHBondContact O-N 3.44Å; K675-V678 PolarHBondContact O-N 3.06Å; K675-V678 VanDerWaalsContact O-N 3.12Å; K675-S679 PolarHBondContact O-N 2.95Å; K675-S679 PolarHBondContact O-OG 2.82Å
676L72.7Confident73.1Confident50 Ų5069.3 Ų69.326%0.26243%0.426SS..Hα-helixtrans-59-41.1174.9-71.9170.4000112.4L568 F572 L672 A673 A674 S679 G680 Y859L568-L676 HydrophobicContact CD2-CD2 3.72Å; F572-L676 HydrophobicContact CE2-CD2 3.92Å; F572-L676 HydrophobicContact CE2-CG 4.48Å; F572-L676 HydrophobicContact CZ-CD2 4.34Å; L672-L676 HydrophobicContact CG-CD1 4.41Å; L672-L676 WeakPolarHBondContact O-CG 3.49Å; L672-L676 PolarHBondContact O-N 3Å; A673-L676 PolarHBondContact O-N 3.44Å; A674-L676 PolarHBondContact O-N 3.14Å; L676-S679 PolarHBondContact O-N 3.14Å; L676-G680 PolarHBondContact O-N 3.42Å; L676-Y859 HydrophobicContact CD2-CE1 4.37Å
677T71.7Confident72.3Confident96 Ų9669.8 Ų69.859%0.58942%0.423SS*.Hα-helixtrans-67.2-34.8175.656.70000112.9A673 A674 K675 L681A673-T677 WeakPolarHBondContact O-CG2 3.28Å; A673-T677 PolarHBondContact O-N 3.39Å; A673-T677 PolarHBondContact O-OG1 2.75Å; A674-T677 WeakPolarHBondContact CA-OG1 3.48Å; A674-T677 PolarHBondContact O-N 3.29Å; A674-T677 PolarHBondContact O-OG1 3.38Å; K675-T677 VanDerWaalsContact C-N 3.32Å; K675-T677 PolarHBondContact O-N 3.44Å; T677-L681 VanDerWaalsContact O-CB 3.3Å; T677-L681 WeakPolarHBondContact O-CB 3.33Å; T677-L681 PolarHBondContact O-N 3Å
678V67Low71.8Confident85 Ų8566.7 Ų66.752%0.51541%0.407SS..Hα-helixtrans-72.8-38.6177.3174.20000111.3A674 K675 G680 L681 Q682A674-V678 WeakPolarHBondContact O-CG2 3.37Å; A674-V678 PolarHBondContact O-N 2.78Å; K675-V678 PolarHBondContact O-N 3.06Å; K675-V678 VanDerWaalsContact O-N 3.12Å; V678-G680 VanDerWaalsContact C-N 3.29Å; V678-G680 PolarHBondContact O-N 3.31Å; V678-L681 CarbonylContact O-C 3.56Å; V678-L681 PolarHBondContact O-N 3.38Å; V678-L681 VanDerWaalsContact O-N 3.11Å; V678-Q682 PolarHBondContact O-N 3.25Å
679S62.4Low71.4Confident30 Ų3070.9 Ų70.921%0.2143%0.425CS..Hα-helixtrans-56.6-43.9172.9-52.80000111.4K675 L676K675-S679 PolarHBondContact O-N 2.95Å; K675-S679 PolarHBondContact O-OG 2.82Å; L676-S679 PolarHBondContact O-N 3.14Å
680G57.2Low70.9Confident68 Ų6872.8 Ų72.870%0.70143%0.425SS*.Hα-helixtrans-72.8-26.5175.300000114.4L676 V678L676-G680 PolarHBondContact O-N 3.42Å; V678-G680 VanDerWaalsContact C-N 3.29Å; V678-G680 PolarHBondContact O-N 3.31Å
681L49.2Very low70.6Confident151 Ų15170 Ų7079%0.79140%0.402SS*.Hα-helixtrans-91-6.1179.3-156.782.9000113.8T677 V678 G683T677-L681 VanDerWaalsContact O-CB 3.3Å; T677-L681 WeakPolarHBondContact O-CB 3.33Å; T677-L681 PolarHBondContact O-N 3Å; V678-L681 CarbonylContact O-C 3.56Å; V678-L681 PolarHBondContact O-N 3.38Å; V678-L681 VanDerWaalsContact O-N 3.11Å; L681-G683 PolarHBondContact O-N 3.44Å
682Q51.1Low70.3Confident133 Ų13367.1 Ų67.162%0.62139%0.386SS*.SBendtrans-65.168.9155.7-73.2-170.7-7.200107.4V678 E684V678-Q682 PolarHBondContact O-N 3.25Å; Q682-E684 PolarHBondContact O-N 2.89Å
683G53.1Low70.1Confident41 Ų4171.6 Ų71.642%0.42341%0.406SS..  trans-55.8111.4169.100000104.5L681L681-G683 PolarHBondContact O-N 3.44Å
684E55.7Low70Confident67 Ų6770.8 Ų70.831%0.31339%0.393SS..  trans-29145.9162.3-66.2178.6139.200109.1L566 Q682 N686 K797 F799L566-E684 HydrophobicContact CD1-CG 4.47Å; Q682-E684 PolarHBondContact O-N 2.89Å; E684-N686 WeakPolarHBondContact CB-OD1 3.33Å; E684-N686 WeakPolarHBondContact O-CB 3.48Å; E684-N686 VanDerWaalsContact O-CG 3.28Å; E684-N686 PolarHBondContact O-N 3.5Å; E684-N686 PolarHBondContact O-OD1 2.96Å; E684-N686 PolarHBondContact OE2-ND2 2.97Å; E684-N686 PolarHBondContact OE2-OD1 3.42Å; E684-K797 IonicContact OE1-NZ 2.72Å; E684-K797 PolarHBondContact OE1-NZ 2.89Å; E684-K797 IonicContact OE2-NZ 3.98Å; E684-K797 PolarHBondContact OE2-NZ 2.89Å; E684-F799 HydrophobicContact CB-CE1 4.29Å
685I57.3Low69.9Low54 Ų5475.8 Ų75.828%0.27741%0.406SS..SBendtrans-66.975.8176.5-55.2171.8000108.5T687 L691 V697 F799I685-T687 VanDerWaalsContact C-N 3.33Å; I685-L691 HydrophobicContact CD1-CD1 4.31Å; I685-L691 HydrophobicContact CG2-CB 3.7Å; I685-L691 HydrophobicContact CG2-CD1 3.8Å; I685-L691 HydrophobicContact CG2-CG 4.33Å; I685-V697 HydrophobicContact CD1-CB 3.75Å; I685-V697 HydrophobicContact CD1-CG1 4.11Å; I685-V697 HydrophobicContact CD1-CG2 3.38Å; I685-F799 WeakPolarHBondContact O-CB 3.29Å
686N65.5Low69.9Low67 Ų6781.4 Ų81.436%0.35843%0.433SS..  trans-91.1-6.9-169.1-74.2-7000110.9E684 F799 G800E684-N686 WeakPolarHBondContact CB-OD1 3.33Å; E684-N686 WeakPolarHBondContact O-CB 3.48Å; E684-N686 VanDerWaalsContact O-CG 3.28Å; E684-N686 PolarHBondContact O-N 3.5Å; E684-N686 PolarHBondContact O-OD1 2.96Å; E684-N686 PolarHBondContact OE2-ND2 2.97Å; E684-N686 PolarHBondContact OE2-OD1 3.42Å; N686-F799 WeakPolarHBondContact OD1-CD1 3.36Å; N686-G800 WeakPolarHBondContact O-CA 3.47Å; N686-G800 PolarHBondContact O-N 3.32Å; N686-G800 VanDerWaalsContact O-N 3.09Å
687T74.5Confident70.4Confident71 Ų7180.8 Ų80.844%0.43643%0.431SS..SBendtrans-136.6135.3-173.8-44.90000110.4I685 K689 K690 L691I685-T687 VanDerWaalsContact C-N 3.33Å; T687-K689 HydrophobicContact CG2-CB 4.35Å; T687-K689 PolarHBondContact O-N 3.3Å; T687-K689 VanDerWaalsContact O-N 3.16Å; T687-K690 PolarHBondContact O-N 2.97Å; T687-L691 PolarHBondContact O-N 2.92Å
688F81.7Confident71.2Confident26 Ų2680.7 Ų80.711%0.11442%0.423CS..Hα-helixtrans-50.6-39.4176.8177.1-112.3000113M558 L691 I692 K749 Y750 L753 F780 I803M558-F688 HydrophobicContact CE-CB 4.16Å; M558-F688 HydrophobicContact SD-CB 4.26Å; M558-F688 HydrophobicContact SD-CD2 4.05Å; F688-L691 PolarHBondContact O-N 3.1Å; F688-I692 HydrophobicContact CD1-CD1 3.75Å; F688-I692 HydrophobicContact CD2-CD1 4.31Å; F688-I692 HydrophobicContact CE1-CD1 3.31Å; F688-I692 HydrophobicContact CE2-CD1 3.93Å; F688-I692 HydrophobicContact CE2-CG1 4.38Å; F688-I692 HydrophobicContact CG-CD1 4.24Å; F688-I692 HydrophobicContact CZ-CD1 3.42Å; F688-I692 VanDerWaalsContact CZ-CD1 3.42Å; F688-I692 HydrophobicContact CZ-CG1 4.3Å; F688-I692 WeakPolarHBondContact O-CG1 3.45Å; F688-I692 PolarHBondContact O-N 3.31Å; F688-K749 HydrophobicContact CE1-CD 4.24Å; F688-Y750 HydrophobicContact CE1-CE1 4.07Å; F688-Y750 HydrophobicContact CZ-CD1 4.14Å; F688-Y750 AromaticContact CZ-CE1 3.82Å; F688-Y750 HydrophobicContact CZ-CE1 3.82Å; F688-L753 HydrophobicContact CE2-CD1 4.18Å; F688-L753 HydrophobicContact CE2-CD2 3.98Å; F688-L753 HydrophobicContact CZ-CD2 4.17Å; F688-F780 AromaticContact CD2-CE1 3.9Å; F688-F780 HydrophobicContact CD2-CE1 3.9Å; F688-F780 HydrophobicContact CD2-CZ 4.07Å; F688-F780 AromaticContact CE2-CE1 3.82Å; F688-F780 HydrophobicContact CE2-CE1 3.82Å; F688-F780 AromaticContact CE2-CZ 3.81Å; F688-F780 HydrophobicContact CE2-CZ 3.81Å; F688-I803 HydrophobicContact CD1-CD1 4.48Å; F688-I803 HydrophobicContact CD2-CD1 3.4Å; F688-I803 VanDerWaalsContact CD2-CD1 3.4Å; F688-I803 HydrophobicContact CD2-CG1 4.46Å; F688-I803 HydrophobicContact CE2-CD1 3.52Å; F688-I803 HydrophobicContact CG-CD1 3.91Å; F688-I803 HydrophobicContact CZ-CD1 4.11Å
689K80.8Confident72.4Confident137 Ų13776.7 Ų76.760%0.59640%0.398SS*.Hα-helixtrans-60.7-46.2177.7-176175.8173.9-179.40112.7T687 L691 I692 E693T687-K689 HydrophobicContact CG2-CB 4.35Å; T687-K689 PolarHBondContact O-N 3.3Å; T687-K689 VanDerWaalsContact O-N 3.16Å; K689-L691 VanDerWaalsContact C-N 3.3Å; K689-L691 PolarHBondContact O-N 3.47Å; K689-I692 PolarHBondContact O-N 2.93Å; K689-E693 WeakPolarHBondContact CE-OE1 3.48Å; K689-E693 PolarHBondContact O-N 2.75Å
690K80.1Confident73.8Confident110 Ų11075.2 Ų75.248%0.47839%0.388SS..Hα-helixtrans-63-38.4178.5-70.7-173175.3-174.60111.5T687 I692 E693 Q694T687-K690 PolarHBondContact O-N 2.97Å; K690-I692 VanDerWaalsContact C-N 3.31Å; K690-I692 PolarHBondContact O-N 2.88Å; K690-E693 PolarHBondContact O-N 3.41Å; K690-Q694 WeakPolarHBondContact O-CG 3.47Å; K690-Q694 PolarHBondContact O-N 3.11Å
691L83.4Confident75.5Confident0 Ų072 Ų720%036%0.355CS..Hα-helixtrans-62.8-36.1177.8-173.270.4000112.4M558 I685 T687 F688 K689 Q694 V697 Y699 V778 F780M558-L691 HydrophobicContact CG-CD2 4.45Å; M558-L691 HydrophobicContact SD-CD2 3.58Å; M558-L691 VanDerWaalsContact SD-CD2 3.58Å; I685-L691 HydrophobicContact CD1-CD1 4.31Å; I685-L691 HydrophobicContact CG2-CB 3.7Å; I685-L691 HydrophobicContact CG2-CD1 3.8Å; I685-L691 HydrophobicContact CG2-CG 4.33Å; T687-L691 PolarHBondContact O-N 2.92Å; F688-L691 PolarHBondContact O-N 3.1Å; K689-L691 VanDerWaalsContact C-N 3.3Å; K689-L691 PolarHBondContact O-N 3.47Å; L691-Q694 WeakPolarHBondContact O-CG 3.35Å; L691-Q694 PolarHBondContact O-NE2 2.66Å; L691-V697 HydrophobicContact CD1-CB 4.36Å; L691-V697 HydrophobicContact CD1-CG1 4.13Å; L691-Y699 HydrophobicContact CD1-CD1 4.06Å; L691-Y699 HydrophobicContact CD2-CD1 4.01Å; L691-Y699 HydrophobicContact CD2-CG 4.25Å; L691-Y699 HydrophobicContact CG-CD1 3.79Å; L691-Y699 HydrophobicContact CG-CE1 4.29Å; L691-V778 HydrophobicContact CD1-CB 4.45Å; L691-V778 HydrophobicContact CD1-CG2 4.06Å; L691-V778 HydrophobicContact CD2-CB 4.37Å; L691-V778 HydrophobicContact CD2-CG1 3.92Å; L691-F780 HydrophobicContact CD2-CE2 4.38Å; L691-F780 HydrophobicContact CD2-CZ 3.88Å
692I83.3Confident77.4Confident16 Ų1668.8 Ų68.88%0.08233%0.332CS..Hα-helixtrans-74.3-39.5179.1-65.5162000111.8F688 K689 K690 Q694 K749 L752 L753 R756F688-I692 HydrophobicContact CD1-CD1 3.75Å; F688-I692 HydrophobicContact CD2-CD1 4.31Å; F688-I692 HydrophobicContact CE1-CD1 3.31Å; F688-I692 HydrophobicContact CE2-CD1 3.93Å; F688-I692 HydrophobicContact CE2-CG1 4.38Å; F688-I692 HydrophobicContact CG-CD1 4.24Å; F688-I692 HydrophobicContact CZ-CD1 3.42Å; F688-I692 VanDerWaalsContact CZ-CD1 3.42Å; F688-I692 HydrophobicContact CZ-CG1 4.3Å; F688-I692 WeakPolarHBondContact O-CG1 3.45Å; F688-I692 PolarHBondContact O-N 3.31Å; K689-I692 PolarHBondContact O-N 2.93Å; K690-I692 VanDerWaalsContact C-N 3.31Å; K690-I692 PolarHBondContact O-N 2.88Å; I692-Q694 VanDerWaalsContact C-N 3.3Å; I692-Q694 PolarHBondContact O-N 3Å; I692-K749 HydrophobicContact CD1-CB 4.06Å; I692-L752 HydrophobicContact CG2-CD2 3.82Å; I692-L753 HydrophobicContact CG1-CD1 3.95Å; I692-R756 PolarHBondContact O-NH1 3.19Å; I692-R756 PolarHBondContact O-NH2 3.39Å; I692-R756 VanDerWaalsContact O-NH2 3.1Å
693E81.3Confident79Confident132 Ų13263.7 Ų63.762%0.61731%0.311SS*.Hα-helixtrans-65.4-34.6-178.8-73.1171.7179.200111.9K689 K690K689-E693 WeakPolarHBondContact CE-OE1 3.48Å; K689-E693 PolarHBondContact O-N 2.75Å; K690-E693 PolarHBondContact O-N 3.41Å
694Q81.7Confident80.3Confident39 Ų3968.6 Ų68.618%0.18233%0.327CS..  trans-87.6162.8179.270.877.939.400113.3K690 L691 I692 V697 R756K690-Q694 WeakPolarHBondContact O-CG 3.47Å; K690-Q694 PolarHBondContact O-N 3.11Å; L691-Q694 WeakPolarHBondContact O-CG 3.35Å; L691-Q694 PolarHBondContact O-NE2 2.66Å; I692-Q694 VanDerWaalsContact C-N 3.3Å; I692-Q694 PolarHBondContact O-N 3Å; Q694-V697 PolarHBondContact NE2-O 3.24Å; Q694-R756 PolarHBondContact O-NH1 3.37Å
695K79.8Confident81.6Confident153 Ų15365.5 Ų65.567%0.66531%0.313SS*.SBendtrans-126.2-6.1178.5-67.8-174.3180-177.60114.9
696E78.8Confident82.7Confident183 Ų18365.6 Ų65.686%0.85532%0.319SS*.SBendtrans-74.9-45.5-174.4-64.7179.2170.900111.6
697V82.9Confident83.7Confident38 Ų3863 Ų6323%0.2330%0.304CS..SBendtrans-86.1114176.1-1800000109.5I685 L691 Q694 V778I685-V697 HydrophobicContact CD1-CB 3.75Å; I685-V697 HydrophobicContact CD1-CG1 4.11Å; I685-V697 HydrophobicContact CD1-CG2 3.38Å; L691-V697 HydrophobicContact CD1-CB 4.36Å; L691-V697 HydrophobicContact CD1-CG1 4.13Å; Q694-V697 PolarHBondContact NE2-O 3.24Å; V697-V778 HydrophobicContact CG1-CB 4.48Å; V697-V778 HydrophobicContact CG1-CG2 3.53Å
698K89.5Confident84.5Confident94 Ų9460.6 Ų60.641%0.40929%0.289SS..  trans-75.9145.5176.3-63.8-178.2-178.4177.90110.2W760 W777 V778K698-W760 HydrophobicContact CB-CD2 4.48Å; K698-W760 HydrophobicContact CB-CE3 4.15Å; K698-W760 HydrophobicContact CB-CZ3 4.36Å; K698-W760 HydrophobicContact CG-CD2 4.32Å; K698-W760 HydrophobicContact CG-CE3 4.43Å; K698-W777 HydrophobicContact CB-CD2 3.53Å; K698-W777 HydrophobicContact CB-CE3 3.51Å; K698-W777 HydrophobicContact CB-CG 4.17Å; K698-W777 HydrophobicContact CB-CH2 4.05Å; K698-W777 HydrophobicContact CB-CZ2 4.05Å; K698-W777 HydrophobicContact CB-CZ3 3.77Å; K698-W777 HydrophobicContact CD-CD2 4.32Å; K698-W777 HydrophobicContact CD-CH2 3.64Å; K698-W777 HydrophobicContact CD-CZ2 3.32Å; K698-W777 HydrophobicContact CD-CZ3 4.25Å; K698-W777 HydrophobicContact CG-CH2 4.46Å; K698-W777 HydrophobicContact CG-CZ2 4.33Å; K698-W777 WeakPolarHBondContact O-CA 3.33Å; K698-V778 PolarHBondContact O-N 3.01Å
699Y91.2Very high84.6Confident0 Ų062.1 Ų62.10%030%0.296CS..EExtended strand (participates in β ladder)trans-135.8146.5179.452.3-102.1000111.4L691 L753 R756 M757 W760 V778 F780L691-Y699 HydrophobicContact CD1-CD1 4.06Å; L691-Y699 HydrophobicContact CD2-CD1 4.01Å; L691-Y699 HydrophobicContact CD2-CG 4.25Å; L691-Y699 HydrophobicContact CG-CD1 3.79Å; L691-Y699 HydrophobicContact CG-CE1 4.29Å; Y699-L753 HydrophobicContact CD2-CD1 3.76Å; Y699-L753 HydrophobicContact CD2-CG 4.27Å; Y699-L753 HydrophobicContact CE1-CD1 4.25Å; Y699-L753 HydrophobicContact CE2-CD1 3.24Å; Y699-L753 HydrophobicContact CE2-CG 3.71Å; Y699-L753 HydrophobicContact CG-CD1 4.46Å; Y699-R756 HydrophobicContact CE2-CB 4.15Å; Y699-R756 VanDerWaalsContact OH-CD 3.26Å; Y699-R756 WeakPolarHBondContact OH-CD 3.45Å; Y699-R756 PolarHBondContact OH-NH1 3.5Å; Y699-M757 HydrophobicContact CD2-CG 3.59Å; Y699-M757 HydrophobicContact CD2-SD 4.24Å; Y699-M757 HydrophobicContact CE2-CG 3.75Å; Y699-W760 HydrophobicContact CD1-CH2 4.17Å; Y699-W760 AromaticContact CD1-CZ3 3.62Å; Y699-W760 HydrophobicContact CD1-CZ3 3.62Å; Y699-W760 HydrophobicContact CD2-CE3 4.47Å; Y699-W760 AromaticContact CD2-CZ3 3.91Å; Y699-W760 HydrophobicContact CD2-CZ3 3.91Å; Y699-W760 AromaticContact CE1-CH2 3.75Å; Y699-W760 HydrophobicContact CE1-CH2 3.75Å; Y699-W760 AromaticContact CE1-CZ3 3.51Å; Y699-W760 HydrophobicContact CE1-CZ3 3.51Å; Y699-W760 HydrophobicContact CE2-CE3 4.47Å; Y699-W760 AromaticContact CE2-CZ3 3.78Å; Y699-W760 HydrophobicContact CE2-CZ3 3.78Å; Y699-W760 AromaticContact CG-CZ3 3.82Å; Y699-W760 HydrophobicContact CG-CZ3 3.82Å; Y699-W760 AromaticContact CZ-CH2 3.96Å; Y699-W760 AromaticContact CZ-CZ3 3.59Å; Y699-V778 CarbonylContact C-O 3.59Å; Y699-V778 WeakPolarHBondContact CA-O 3.48Å; Y699-V778 WeakPolarHBondContact CB-O 3.33Å; Y699-F780 AromaticContact CD2-CE2 3.94Å; Y699-F780 HydrophobicContact CD2-CE2 3.94Å; Y699-F780 HydrophobicContact CG-CE2 4.15Å
700T92.8Very high85Confident0 Ų057.9 Ų57.90%028%0.277CS..EExtended strand (participates in β ladder)trans-154.6177.6178.8-165.10000113G761 F762 L772 W777 V778 I779 F780T700-G761 WeakPolarHBondContact CB-O 3.32Å; T700-G761 PolarHBondContact OG1-O 2.87Å; T700-F762 WeakPolarHBondContact OG1-CA 3.48Å; T700-L772 HydrophobicContact CG2-CD1 3.92Å; T700-W777 HydrophobicContact CG2-CE3 3.89Å; T700-W777 HydrophobicContact CG2-CZ3 4.14Å; T700-V778 PolarHBondContact N-O 3.35Å; T700-I779 HydrophobicContact CG2-CD1 3.31Å; T700-I779 WeakPolarHBondContact O-CA 3.49Å; T700-F780 PolarHBondContact O-N 2.96Å
701V92.4Very high85.6Confident0 Ų052.7 Ų52.70%025%0.254CS..EExtended strand (participates in β ladder)trans-132154.4-179.3-179.20000108.1S705 E707 L708 F711 M757 S763 F780V701-S705 WeakPolarHBondContact CG1-OG 3.39Å; V701-E707 HydrophobicContact CG1-CB 3.56Å; V701-L708 HydrophobicContact CG1-CB 4.03Å; V701-F711 HydrophobicContact CG2-CD2 3.79Å; V701-F711 HydrophobicContact CG2-CE2 3.75Å; V701-M757 HydrophobicContact CB-SD 4.43Å; V701-M757 HydrophobicContact CG2-CE 4.23Å; V701-M757 HydrophobicContact CG2-SD 3.49Å; V701-M757 WeakPolarHBondContact CG2-SD 3.33Å; V701-S763 PolarHBondContact O-N 3.23Å; V701-F780 HydrophobicContact CG2-CB 3.76Å; V701-F780 HydrophobicContact CG2-CD2 4.18Å; V701-F780 HydrophobicContact CG2-CG 4.4Å
702R89.3Confident85.9Confident84 Ų8456.6 Ų56.632%0.31727%0.273SS..BIsolated β-bridgetrans-65.8137.9172-169.8179.768.3154.92111.2S705 S763R702-S705 VanDerWaalsContact O-CB 3.23Å; R702-S705 WeakPolarHBondContact O-CB 3.27Å; R702-S705 PolarHBondContact O-OG 3.18Å; R702-S763 CarbonylContact C-O 3.25Å; R702-S763 VanDerWaalsContact CA-O 3.28Å; R702-S763 WeakPolarHBondContact CA-O 3.13Å; R702-S763 WeakPolarHBondContact CG-O 3.27Å
703S83.8Confident86.1Confident26 Ų2662.6 Ų62.618%0.18229%0.294CS..THydrogen-bonded Turntrans-64.2151.6174.269.20000111.2S705 S763 N764S703-S705 PolarHBondContact O-N 3.31Å; S703-S763 PolarHBondContact N-O 3.42Å; S703-S763 PolarHBondContact OG-O 2.88Å; S703-N764 WeakPolarHBondContact CB-OD1 3Å; S703-N764 WeakPolarHBondContact OG-CA 3.44Å; S703-N764 PolarHBondContact OG-OD1 3.42Å
704N80Confident86.6Confident143 Ų14358.6 Ų58.677%0.76528%0.277SS*.THydrogen-bonded Turntrans52.621.8-177.4-66.5-12.6000115.9
705S83.2Confident87.1Confident2 Ų259.6 Ų59.61%0.01428%0.279CS..SBendtrans-90.5165.7-179.770.40000112.7V701 R702 S703 E707 L708 K709V701-S705 WeakPolarHBondContact CG1-OG 3.39Å; R702-S705 VanDerWaalsContact O-CB 3.23Å; R702-S705 WeakPolarHBondContact O-CB 3.27Å; R702-S705 PolarHBondContact O-OG 3.18Å; S703-S705 PolarHBondContact O-N 3.31Å; S705-E707 VanDerWaalsContact C-N 3.25Å; S705-E707 WeakPolarHBondContact CB-OE2 3.47Å; S705-E707 PolarHBondContact OG-OE2 3.34Å; S705-L708 PolarHBondContact OG-N 3.13Å; S705-L708 VanDerWaalsContact OG-N 3.14Å; S705-K709 PolarHBondContact O-N 2.88Å
706S80.5Confident87.6Confident56 Ų5654.9 Ų54.939%0.39227%0.265SS..Hα-helixtrans-65.8-33.817348.20000111K709 F710 E782S706-K709 PolarHBondContact O-N 2.72Å; S706-F710 WeakPolarHBondContact O-CB 3.38Å; S706-F710 PolarHBondContact O-N 2.89Å; S706-E782 PolarHBondContact OG-OE1 3.39Å
707E87.5Confident88.2Confident12 Ų1248 Ų486%0.05624%0.24CC..Hα-helixtrans-65.4-40.8179-5992.915300112I556 V701 S705 F710 F711 E782I556-E707 HydrophobicContact CD1-CB 4.09Å; I556-E707 HydrophobicContact CD1-CG 4.05Å; I556-E707 HydrophobicContact CG1-CB 4.28Å; I556-E707 HydrophobicContact CG1-CG 3.74Å; V701-E707 HydrophobicContact CG1-CB 3.56Å; S705-E707 VanDerWaalsContact C-N 3.25Å; S705-E707 WeakPolarHBondContact CB-OE2 3.47Å; S705-E707 PolarHBondContact OG-OE2 3.34Å; E707-F710 WeakPolarHBondContact O-CB 3.38Å; E707-F710 PolarHBondContact O-N 3.3Å; E707-F711 WeakPolarHBondContact O-CD2 3.45Å; E707-F711 PolarHBondContact O-N 2.98Å; E707-F711 VanDerWaalsContact O-N 3.11Å; E707-E782 HydrophobicContact CG-CG 4.09Å; E707-E782 WeakPolarHBondContact OE1-CG 3.36Å; E707-E782 PolarHBondContact OE1-N 3.31Å
708L89.7Confident88.6Confident21 Ų2147.1 Ų47.111%0.1123%0.233CC..Hα-helixtrans-63.9-46.7177.1178.862.1000110.9V701 S705 F710 F711 E712 Y754 F762V701-L708 HydrophobicContact CG1-CB 4.03Å; S705-L708 PolarHBondContact OG-N 3.13Å; S705-L708 VanDerWaalsContact OG-N 3.14Å; L708-F710 VanDerWaalsContact C-N 3.25Å; L708-F710 PolarHBondContact O-N 3.3Å; L708-F711 PolarHBondContact O-N 3.2Å; L708-E712 WeakPolarHBondContact O-CB 3.36Å; L708-E712 PolarHBondContact O-N 2.97Å; L708-Y754 HydrophobicContact CD1-CE2 3.81Å; L708-F762 HydrophobicContact CD1-CD1 3.94Å; L708-F762 HydrophobicContact CD1-CE1 3.4Å; L708-F762 VanDerWaalsContact CD1-CE1 3.4Å; L708-F762 HydrophobicContact CD1-CE2 4.43Å; L708-F762 HydrophobicContact CD1-CZ 3.69Å
709K85.4Confident88.6Confident59 Ų5947.3 Ų47.326%0.25724%0.236SC..Hα-helixtrans-61.6-35.5176.7-68.6177.7-175172.60111.6D505 T508 S705 S706 R713D505-K709 IonicContact OD1-NZ 2.75Å; T508-K709 PolarHBondContact OG1-NZ 3.43Å; S705-K709 PolarHBondContact O-N 2.88Å; S706-K709 PolarHBondContact O-N 2.72Å; K709-R713 WeakPolarHBondContact O-CB 2.96Å; K709-R713 VanDerWaalsContact O-CG 3.29Å; K709-R713 WeakPolarHBondContact O-CG 3.47Å; K709-R713 PolarHBondContact O-N 2.89Å
710F88.4Confident88.6Confident48 Ų4850 Ų5021%0.21126%0.255CS..Hα-helixtrans-61.4-49.9175.1171.7-92.9000111.8I556 S706 E707 L708 R713 L714 I803 W806I556-F710 HydrophobicContact CD1-CB 4.04Å; I556-F710 HydrophobicContact CD1-CD1 3.25Å; I556-F710 HydrophobicContact CD1-CD2 4.42Å; I556-F710 HydrophobicContact CD1-CE1 3.67Å; I556-F710 HydrophobicContact CD1-CG 3.66Å; I556-F710 HydrophobicContact CD1-CZ 4.41Å; S706-F710 WeakPolarHBondContact O-CB 3.38Å; S706-F710 PolarHBondContact O-N 2.89Å; E707-F710 WeakPolarHBondContact O-CB 3.38Å; E707-F710 PolarHBondContact O-N 3.3Å; L708-F710 VanDerWaalsContact C-N 3.25Å; L708-F710 PolarHBondContact O-N 3.3Å; F710-R713 PolarHBondContact O-N 3.45Å; F710-L714 HydrophobicContact CD1-CD1 3.88Å; F710-L714 HydrophobicContact CD2-CD1 4.41Å; F710-L714 HydrophobicContact CE1-CD1 3.3Å; F710-L714 HydrophobicContact CE2-CD1 3.9Å; F710-L714 HydrophobicContact CG-CD1 4.41Å; F710-L714 HydrophobicContact CZ-CD1 3.32Å; F710-L714 HydrophobicContact CZ-CG 4.44Å; F710-L714 PolarHBondContact O-N 3.15Å; F710-L714 VanDerWaalsContact O-N 3.08Å; F710-I803 HydrophobicContact CE1-CG2 4.04Å; F710-I803 HydrophobicContact CZ-CG2 4.18Å; F710-W806 HydrophobicContact CD2-CH2 4.41Å; F710-W806 HydrophobicContact CD2-CZ3 4.22Å; F710-W806 HydrophobicContact CE2-CH2 4.43Å; F710-W806 AromaticContact CE2-CZ3 3.9Å; F710-W806 HydrophobicContact CE2-CZ3 3.9Å; F710-W806 HydrophobicContact CZ-CZ3 4.37Å
711F91.9Very high88.4Confident0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-67.4-35.5178.2-70.7-63.9000112.8I556 V701 E707 L708 L714 R715 Y750 L753 Y754 M757 F780I556-F711 HydrophobicContact CD1-CE2 4.23Å; I556-F711 HydrophobicContact CD1-CZ 4.38Å; I556-F711 HydrophobicContact CG2-CE2 4.36Å; I556-F711 HydrophobicContact CG2-CZ 4.1Å; V701-F711 HydrophobicContact CG2-CD2 3.79Å; V701-F711 HydrophobicContact CG2-CE2 3.75Å; E707-F711 WeakPolarHBondContact O-CD2 3.45Å; E707-F711 PolarHBondContact O-N 2.98Å; E707-F711 VanDerWaalsContact O-N 3.11Å; L708-F711 PolarHBondContact O-N 3.2Å; F711-L714 PolarHBondContact O-N 3.05Å; F711-R715 WeakPolarHBondContact O-CB 3.33Å; F711-R715 PolarHBondContact O-N 2.97Å; F711-Y750 HydrophobicContact CD1-CD1 4.12Å; F711-Y750 HydrophobicContact CE1-CD1 4.17Å; F711-Y750 HydrophobicContact CE1-CE1 4.41Å; F711-L753 HydrophobicContact CD1-CD2 3.67Å; F711-L753 HydrophobicContact CE1-CD2 3.36Å; F711-L753 HydrophobicContact CG-CD2 4.42Å; F711-L753 HydrophobicContact CZ-CD2 3.88Å; F711-Y754 HydrophobicContact CB-CD2 4.09Å; F711-M757 HydrophobicContact CB-CE 4.03Å; F711-M757 HydrophobicContact CD1-CE 4.49Å; F711-M757 HydrophobicContact CD2-CE 3.96Å; F711-M757 HydrophobicContact CG-CE 3.91Å; F711-F780 HydrophobicContact CE2-CB 3.87Å; F711-F780 HydrophobicContact CE2-CD1 4.37Å; F711-F780 HydrophobicContact CE2-CD2 4.34Å; F711-F780 AromaticContact CE2-CG 3.96Å; F711-F780 HydrophobicContact CE2-CG 3.96Å; F711-F780 HydrophobicContact CZ-CB 4.24Å; F711-F780 AromaticContact CZ-CD1 3.87Å; F711-F780 HydrophobicContact CZ-CD1 3.87Å; F711-F780 HydrophobicContact CZ-CD2 4.34Å; F711-F780 HydrophobicContact CZ-CE1 4.26Å; F711-F780 AromaticContact CZ-CG 3.9Å; F711-F780 HydrophobicContact CZ-CG 3.9Å
712E90.1Very high88.2Confident83 Ų8356.5 Ų56.539%0.38829%0.286SS..Hα-helixtrans-62-47.7174.7-175.9176.3-155.100111.8L708 L714 R715 S716 Y754L708-E712 WeakPolarHBondContact O-CB 3.36Å; L708-E712 PolarHBondContact O-N 2.97Å; E712-L714 PolarHBondContact O-N 3.42Å; E712-R715 PolarHBondContact O-N 2.9Å; E712-S716 PolarHBondContact O-N 2.79Å; E712-S716 PolarHBondContact O-OG 2.98Å; E712-Y754 HydrophobicContact CB-CE2 3.95Å
713R88Confident88.1Confident141 Ų14156.6 Ų56.653%0.53229%0.29SS..Hα-helixtrans-60.8-43.7177.2-75.2175.7178-166-5.1112D537 K709 F710 S716 A717D537-R713 IonicContact OD2-NH1 2.7Å; K709-R713 WeakPolarHBondContact O-CB 2.96Å; K709-R713 VanDerWaalsContact O-CG 3.29Å; K709-R713 WeakPolarHBondContact O-CG 3.47Å; K709-R713 PolarHBondContact O-N 2.89Å; F710-R713 PolarHBondContact O-N 3.45Å; R713-S716 PolarHBondContact O-N 3.15Å; R713-A717 WeakPolarHBondContact O-CB 3.38Å; R713-A717 PolarHBondContact O-N 2.75Å
714L90.8Very high88.2Confident48 Ų4860.8 Ų60.825%0.25131%0.308SS..Hα-helixtrans-66.7-38178.5-77.2173.7000112.7F710 F711 E712 A717 E718 Y750F710-L714 HydrophobicContact CD1-CD1 3.88Å; F710-L714 HydrophobicContact CD2-CD1 4.41Å; F710-L714 HydrophobicContact CE1-CD1 3.3Å; F710-L714 HydrophobicContact CE2-CD1 3.9Å; F710-L714 HydrophobicContact CG-CD1 4.41Å; F710-L714 HydrophobicContact CZ-CD1 3.32Å; F710-L714 HydrophobicContact CZ-CG 4.44Å; F710-L714 PolarHBondContact O-N 3.15Å; F710-L714 VanDerWaalsContact O-N 3.08Å; F711-L714 PolarHBondContact O-N 3.05Å; E712-L714 PolarHBondContact O-N 3.42Å; L714-A717 PolarHBondContact O-N 3.34Å; L714-E718 WeakPolarHBondContact O-CG 3.36Å; L714-E718 PolarHBondContact O-N 2.97Å; L714-Y750 HydrophobicContact CB-CD2 3.91Å; L714-Y750 HydrophobicContact CB-CG 3.99Å; L714-Y750 HydrophobicContact CD1-CD1 4.11Å; L714-Y750 HydrophobicContact CD1-CD2 3.9Å; L714-Y750 HydrophobicContact CD1-CE1 4.05Å; L714-Y750 HydrophobicContact CD1-CE2 3.78Å; L714-Y750 HydrophobicContact CD1-CG 4.05Å; L714-Y750 HydrophobicContact CD2-CD2 4.35Å; L714-Y750 HydrophobicContact CD2-CE2 4.28Å; L714-Y750 HydrophobicContact CG-CD2 4.3Å; L714-Y750 HydrophobicContact CG-CE2 4.46Å
715R92.9Very high88.3Confident61 Ų6155.7 Ų55.723%0.2328%0.278CS..Hα-helixtrans-60.1-50.2171.8176.3-170.281.6769.9111F711 E712 A717 E718 E719F711-R715 WeakPolarHBondContact O-CB 3.33Å; F711-R715 PolarHBondContact O-N 2.97Å; E712-R715 PolarHBondContact O-N 2.9Å; R715-A717 PolarHBondContact O-N 3.06Å; R715-E718 PolarHBondContact O-N 3.16Å; R715-E719 IonicContact CZ-OE2 3.65Å; R715-E719 IonicContact NH1-OE2 2.92Å; R715-E719 PolarHBondContact NH1-OE2 2.91Å; R715-E719 IonicContact NH2-OE2 2.94Å; R715-E719 WeakPolarHBondContact O-CB 3.39Å; R715-E719 PolarHBondContact O-N 3.44Å
716S90.8Very high88.3Confident53 Ų5359.3 Ų59.337%0.37129%0.293SS..Hα-helixtrans-60.9-35.8178.7-70.30000112.1E712 R713 S720E712-S716 PolarHBondContact O-N 2.79Å; E712-S716 PolarHBondContact O-OG 2.98Å; R713-S716 PolarHBondContact O-N 3.15Å; S716-S720 WeakPolarHBondContact O-CB 3.08Å; S716-S720 PolarHBondContact O-N 2.94Å; S716-S720 PolarHBondContact O-OG 3.23Å
717A90.5Very high88.3Confident40 Ų4062.7 Ų62.733%0.33130%0.303SS..Hα-helixtrans-64.8-49.8172.900000111.8R713 L714 R715 E719 S720 I721R713-A717 WeakPolarHBondContact O-CB 3.38Å; R713-A717 PolarHBondContact O-N 2.75Å; L714-A717 PolarHBondContact O-N 3.34Å; R715-A717 PolarHBondContact O-N 3.06Å; A717-E719 VanDerWaalsContact C-N 3.33Å; A717-E719 PolarHBondContact O-N 3.31Å; A717-S720 PolarHBondContact O-N 3.33Å; A717-S720 PolarHBondContact O-OG 3.44Å; A717-I721 VanDerWaalsContact O-CG1 3.27Å; A717-I721 WeakPolarHBondContact O-CG1 3.36Å; A717-I721 PolarHBondContact O-N 3.41Å
718E91Very high87.9Confident18 Ų1868.4 Ų68.48%0.08433%0.328CS..Hα-helixtrans-57.1-45.5176.4-75.3-177.1168.400111.7L714 R715 I721 F722 K749 Y750 G751L714-E718 WeakPolarHBondContact O-CG 3.36Å; L714-E718 PolarHBondContact O-N 2.97Å; R715-E718 PolarHBondContact O-N 3.16Å; E718-I721 PolarHBondContact O-N 2.9Å; E718-F722 PolarHBondContact O-N 2.65Å; E718-K749 PolarHBondContact OE1-N 3.48Å; E718-Y750 WeakPolarHBondContact OE1-CD2 3.49Å; E718-Y750 PolarHBondContact OE1-N 2.65Å; E718-Y750 PolarHBondContact OE2-N 2.94Å; E718-Y750 VanDerWaalsContact OE2-N 3.1Å; E718-G751 PolarHBondContact OE2-N 3.18Å
719E89.7Confident87.3Confident98 Ų9868.9 Ų68.946%0.45833%0.332SS..Hα-helixtrans-62.5-43177.5-173.8171.5-16600111.8R715 A717 I721 F722 E723R715-E719 IonicContact CZ-OE2 3.65Å; R715-E719 IonicContact NH1-OE2 2.92Å; R715-E719 PolarHBondContact NH1-OE2 2.91Å; R715-E719 IonicContact NH2-OE2 2.94Å; R715-E719 WeakPolarHBondContact O-CB 3.39Å; R715-E719 PolarHBondContact O-N 3.44Å; A717-E719 VanDerWaalsContact C-N 3.33Å; A717-E719 PolarHBondContact O-N 3.31Å; E719-I721 PolarHBondContact O-N 3.39Å; E719-F722 PolarHBondContact O-N 3.24Å; E719-E723 PolarHBondContact O-N 3.17Å
720S91Very high86.7Confident57 Ų5769.8 Ų69.840%0.39934%0.342SS..Hα-helixtrans-64.3-38.8176.873.90000112.7S716 A717 E723 M724S716-S720 WeakPolarHBondContact O-CB 3.08Å; S716-S720 PolarHBondContact O-N 2.94Å; S716-S720 PolarHBondContact O-OG 3.23Å; A717-S720 PolarHBondContact O-N 3.33Å; A717-S720 PolarHBondContact O-OG 3.44Å; S720-E723 PolarHBondContact O-N 3.01Å; S720-M724 WeakPolarHBondContact O-CB 3.42Å; S720-M724 WeakPolarHBondContact O-CG 3.35Å; S720-M724 PolarHBondContact O-N 3.1Å
721I89.9Confident85.8Confident74 Ų7475.9 Ų75.938%0.37936%0.364SS..Hα-helixtrans-68.1-41177.6-64.3164.2000109.9A717 E718 E719 M724 W725 Y744A717-I721 VanDerWaalsContact O-CG1 3.27Å; A717-I721 WeakPolarHBondContact O-CG1 3.36Å; A717-I721 PolarHBondContact O-N 3.41Å; E718-I721 PolarHBondContact O-N 2.9Å; E719-I721 PolarHBondContact O-N 3.39Å; I721-M724 HydrophobicContact CB-CE 4.49Å; I721-M724 HydrophobicContact CG1-CE 4.11Å; I721-M724 PolarHBondContact O-N 3.34Å; I721-W725 WeakPolarHBondContact O-CB 3.23Å; I721-W725 PolarHBondContact O-N 3.31Å; I721-Y744 HydrophobicContact CG2-CE2 4.45Å; I721-Y744 VanDerWaalsContact CG2-OH 3.3Å; I721-Y744 WeakPolarHBondContact CG2-OH 3.23Å
722F87.7Confident84.4Confident63 Ų6379.6 Ų79.628%0.27638%0.384SS..Hα-helixtrans-62.3-45.9176.4-178.9-104.3000111.7E718 E719 W725 K726 Y744E718-F722 PolarHBondContact O-N 2.65Å; E719-F722 PolarHBondContact O-N 3.24Å; F722-W725 HydrophobicContact CE2-CE3 4.43Å; F722-W725 HydrophobicContact CE2-CZ3 4.47Å; F722-W725 PolarHBondContact O-N 3.28Å; F722-K726 HydrophobicContact CE1-CD 4.21Å; F722-K726 VanDerWaalsContact O-CB 3.27Å; F722-K726 WeakPolarHBondContact O-CB 3.49Å; F722-K726 PolarHBondContact O-N 3.37Å; F722-Y744 HydrophobicContact CB-CE1 4.41Å; F722-Y744 AromaticContact CD2-CD1 3.95Å; F722-Y744 HydrophobicContact CD2-CD1 3.95Å; F722-Y744 HydrophobicContact CD2-CD2 4.22Å; F722-Y744 AromaticContact CD2-CE1 3.92Å; F722-Y744 HydrophobicContact CD2-CE1 3.92Å; F722-Y744 HydrophobicContact CD2-CE2 4.24Å; F722-Y744 HydrophobicContact CD2-CG 4.1Å; F722-Y744 HydrophobicContact CE2-CD1 4.49Å; F722-Y744 HydrophobicContact CE2-CG 4.46Å; F722-Y744 PolarHBondContact N-OH 3.4Å
723E86.1Confident82.8Confident86 Ų8683.4 Ų83.440%0.40241%0.407SS..Hα-helixtrans-65.7-39.9177-74.5-60.1148.900112.4E719 S720 W725 K726 Q727E719-E723 PolarHBondContact O-N 3.17Å; S720-E723 PolarHBondContact O-N 3.01Å; E723-W725 VanDerWaalsContact C-N 3.32Å; E723-W725 PolarHBondContact O-N 2.83Å; E723-K726 PolarHBondContact O-N 3.02Å; E723-K726 IonicContact OE1-NZ 3.55Å; E723-K726 PolarHBondContact OE1-NZ 2.88Å; E723-K726 IonicContact OE2-NZ 2.68Å; E723-K726 PolarHBondContact OE2-NZ 3.44Å; E723-Q727 WeakPolarHBondContact O-CB 3.19Å; E723-Q727 PolarHBondContact O-N 3.42Å
724M86.3Confident81.3Confident114 Ų11483.2 Ų83.256%0.56241%0.413SS*.Hα-helixtrans-60.5-42.4172.4-76.3-171.3-69.600112S720 I721 Q727 K728S720-M724 WeakPolarHBondContact O-CB 3.42Å; S720-M724 WeakPolarHBondContact O-CG 3.35Å; S720-M724 PolarHBondContact O-N 3.1Å; I721-M724 HydrophobicContact CB-CE 4.49Å; I721-M724 HydrophobicContact CG1-CE 4.11Å; I721-M724 PolarHBondContact O-N 3.34Å; M724-Q727 PolarHBondContact O-N 3.08Å; M724-K728 WeakPolarHBondContact O-CB 3.15Å; M724-K728 PolarHBondContact O-N 2.83Å
725W83.7Confident79.5Confident36 Ų3691.1 Ų91.114%0.13645%0.445CS..Hα-helixtrans-66.7-47.6178.9-178.183.9000111.6I721 F722 E723 Q727 K728 V729 T740 V741 Y744I721-W725 WeakPolarHBondContact O-CB 3.23Å; I721-W725 PolarHBondContact O-N 3.31Å; F722-W725 HydrophobicContact CE2-CE3 4.43Å; F722-W725 HydrophobicContact CE2-CZ3 4.47Å; F722-W725 PolarHBondContact O-N 3.28Å; E723-W725 VanDerWaalsContact C-N 3.32Å; E723-W725 PolarHBondContact O-N 2.83Å; W725-Q727 VanDerWaalsContact C-N 3.28Å; W725-Q727 PolarHBondContact O-N 3.45Å; W725-K728 PolarHBondContact O-N 2.7Å; W725-K728 VanDerWaalsContact O-N 3.14Å; W725-V729 HydrophobicContact CD2-CG2 4.02Å; W725-V729 HydrophobicContact CG-CG2 4.45Å; W725-V729 HydrophobicContact CZ2-CG2 4.06Å; W725-V729 WeakPolarHBondContact O-CG2 3.08Å; W725-V729 PolarHBondContact O-N 2.9Å; W725-T740 WeakPolarHBondContact CH2-O 3.06Å; W725-T740 WeakPolarHBondContact CZ2-O 3.33Å; W725-V741 WeakPolarHBondContact CH2-O 3.45Å; W725-V741 HydrophobicContact CZ3-CG1 4.34Å; W725-V741 WeakPolarHBondContact CZ3-O 3.47Å; W725-Y744 HydrophobicContact CB-CD2 4.21Å; W725-Y744 HydrophobicContact CB-CE2 3.93Å; W725-Y744 AromaticContact CD2-CD2 3.59Å; W725-Y744 HydrophobicContact CD2-CD2 3.59Å; W725-Y744 HydrophobicContact CD2-CE2 4.24Å; W725-Y744 AromaticContact CE3-CD2 3.76Å; W725-Y744 HydrophobicContact CE3-CD2 3.76Å; W725-Y744 HydrophobicContact CE3-CG 4.39Å; W725-Y744 AromaticContact CG-CD2 3.79Å; W725-Y744 HydrophobicContact CG-CD2 3.79Å; W725-Y744 AromaticContact CG-CE2 3.98Å; W725-Y744 HydrophobicContact CG-CE2 3.98Å; W725-Y744 HydrophobicContact CZ2-CD2 4.46Å; W725-Y744 HydrophobicContact CZ3-CD2 4.22Å; W725-Y744 HydrophobicContact CZ3-CG 4.46Å
726K82.6Confident77.6Confident78 Ų7890.6 Ų90.634%0.33945%0.449SS..Hα-helixtrans-56.5-42.9173.6177.1177.6158.1-145.80111.2F722 E723 V729 V730F722-K726 HydrophobicContact CE1-CD 4.21Å; F722-K726 VanDerWaalsContact O-CB 3.27Å; F722-K726 WeakPolarHBondContact O-CB 3.49Å; F722-K726 PolarHBondContact O-N 3.37Å; E723-K726 PolarHBondContact O-N 3.02Å; E723-K726 IonicContact OE1-NZ 3.55Å; E723-K726 PolarHBondContact OE1-NZ 2.88Å; E723-K726 IonicContact OE2-NZ 2.68Å; E723-K726 PolarHBondContact OE2-NZ 3.44Å; K726-V729 PolarHBondContact O-N 3.4Å; K726-V730 HydrophobicContact CG-CG2 4.25Å; K726-V730 VanDerWaalsContact O-CB 3.24Å; K726-V730 WeakPolarHBondContact O-CB 3.46Å; K726-V730 VanDerWaalsContact O-CG2 3.26Å; K726-V730 WeakPolarHBondContact O-CG2 3.32Å; K726-V730 PolarHBondContact O-N 2.97Å
727Q80.7Confident76.1Confident126 Ų12692.7 Ų92.759%0.58947%0.47SS*.Hα-helixtrans-62.1-46.3175.8-172.6-179.5-1.700111.7E723 M724 W725 V729 Y731E723-Q727 WeakPolarHBondContact O-CB 3.19Å; E723-Q727 PolarHBondContact O-N 3.42Å; M724-Q727 PolarHBondContact O-N 3.08Å; W725-Q727 VanDerWaalsContact C-N 3.28Å; W725-Q727 PolarHBondContact O-N 3.45Å; Q727-V729 VanDerWaalsContact C-N 3.33Å; Q727-V729 PolarHBondContact O-N 3.39Å; Q727-Y731 HydrophobicContact CG-CD2 4.14Å; Q727-Y731 WeakPolarHBondContact O-CB 3.31Å; Q727-Y731 PolarHBondContact O-N 3.47Å
728K78.5Confident74.9Confident132 Ų13297 Ų9757%0.57449%0.487SS*.Hα-helixtrans-64.1-35.1179.7-173.3174.6-179178.30113M724 W725 N732M724-K728 WeakPolarHBondContact O-CB 3.15Å; M724-K728 PolarHBondContact O-N 2.83Å; W725-K728 PolarHBondContact O-N 2.7Å; W725-K728 VanDerWaalsContact O-N 3.14Å; K728-N732 WeakPolarHBondContact O-CB 3.18Å
729V77.3Confident73.6Confident32 Ų32102 Ų10219%0.19451%0.506CS..Hα-helixtrans-84.9-39.9-178.7-179.70000112.1W725 K726 Q727 V741W725-V729 HydrophobicContact CD2-CG2 4.02Å; W725-V729 HydrophobicContact CG-CG2 4.45Å; W725-V729 HydrophobicContact CZ2-CG2 4.06Å; W725-V729 WeakPolarHBondContact O-CG2 3.08Å; W725-V729 PolarHBondContact O-N 2.9Å; K726-V729 PolarHBondContact O-N 3.4Å; Q727-V729 VanDerWaalsContact C-N 3.33Å; Q727-V729 PolarHBondContact O-N 3.39Å; V729-V741 HydrophobicContact CB-CG2 4.29Å; V729-V741 HydrophobicContact CG1-CB 4.46Å; V729-V741 HydrophobicContact CG1-CG2 3.45Å; V729-V741 VanDerWaalsContact CG1-CG2 3.45Å
730V73.3Confident72.6Confident78 Ų78100 Ų10047%0.47350%0.501SS..Hα-helixtrans-83.9-39.1-1741770000112.6K726 V741K726-V730 HydrophobicContact CG-CG2 4.25Å; K726-V730 VanDerWaalsContact O-CB 3.24Å; K726-V730 WeakPolarHBondContact O-CB 3.46Å; K726-V730 VanDerWaalsContact O-CG2 3.26Å; K726-V730 WeakPolarHBondContact O-CG2 3.32Å; K726-V730 PolarHBondContact O-N 2.97Å; V730-V741 HydrophobicContact CG2-CG2 4.05Å
731Y68.9Low71.4Confident175 Ų175100.5 Ų100.569%0.68650%0.501SS*.SBendtrans-104.8-2.6-170.7-66-77.3000114.8Q727 N733Q727-Y731 HydrophobicContact CG-CD2 4.14Å; Q727-Y731 WeakPolarHBondContact O-CB 3.31Å; Q727-Y731 PolarHBondContact O-N 3.47Å; Y731-N733 PolarHBondContact O-N 3.48Å
732N61.5Low70.6Confident78 Ų78108.5 Ų108.542%0.41753%0.527SS..  trans-74.2119.6174.3-164.616.5000109.6K728 E734K728-N732 WeakPolarHBondContact O-CB 3.18Å; N732-E734 CarbonylContact O-C 3.52Å; N732-E734 PolarHBondContact O-N 3.05Å
733N56.8Low69.9Low163 Ų163112.3 Ų112.387%0.87255%0.545SS*.SBendtrans-64.3-20.5-173.4-73.2-17.3000113.5Y731 F735Y731-N733 PolarHBondContact O-N 3.48Å; N733-F735 PolarHBondContact O-N 3.48Å
734E58.1Low69.7Low137 Ų137110.2 Ų110.264%0.6453%0.534SS*.SBendtrans-79.599.9165.5-69.8179.4169.100108N732 T736N732-E734 CarbonylContact O-C 3.52Å; N732-E734 PolarHBondContact O-N 3.05Å; E734-T736 HydrophobicContact CB-CG2 4.12Å; E734-T736 PolarHBondContact O-N 2.88Å; E734-T736 PolarHBondContact O-OG1 3.12Å
735F51.8Low69.4Low215 Ų215109.9 Ų109.994%0.94354%0.54SS*.  trans-58.778.5165-124.2-84.9000108.3N733 A737N733-F735 PolarHBondContact O-N 3.48Å; F735-A737 PolarHBondContact O-N 2.99Å
736T52.8Low69.3Low49 Ų49111.1 Ų111.130%0.30155%0.552SS.*  trans-82.2112.4177.837.90000106.2E734 N738 Y739E734-T736 HydrophobicContact CB-CG2 4.12Å; E734-T736 PolarHBondContact O-N 2.88Å; E734-T736 PolarHBondContact O-OG1 3.12Å; T736-N738 PolarHBondContact O-N 3.39Å; T736-Y739 PolarHBondContact O-N 3.22Å
737A59.5Low69.2Low98 Ų98112.5 Ų112.581%0.8157%0.567SS**THydrogen-bonded Turntrans-59.8-2.8171.700000113.4F735F735-A737 PolarHBondContact O-N 2.99Å
738N65.9Low69.4Low131 Ų131110.8 Ų110.870%0.70156%0.559SS**THydrogen-bonded Turntrans-74.2-21.8-178.7-66.8-4.4000113.6T736T736-N738 PolarHBondContact O-N 3.39Å
739Y64Low69.8Low122 Ų122108.2 Ų108.248%0.47855%0.548SS..  trans-129.7131.9-177.3-51.3-69.3000110.7T736T736-Y739 PolarHBondContact O-N 3.22Å
740T68.8Low70.5Confident56 Ų56108.2 Ų108.234%0.34454%0.544SS..  trans-118137.217765.40000110.6W725 W742 Q743W725-T740 WeakPolarHBondContact CH2-O 3.06Å; W725-T740 WeakPolarHBondContact CZ2-O 3.33Å; T740-W742 PolarHBondContact O-N 2.92Å; T740-W742 VanDerWaalsContact O-N 3.1Å; T740-Q743 PolarHBondContact O-N 2.87Å; T740-Q743 VanDerWaalsContact O-N 3.08Å; T740-Q743 VanDerWaalsContact OG1-CB 3.31Å; T740-Q743 WeakPolarHBondContact OG1-CB 3.16Å; T740-Q743 VanDerWaalsContact OG1-CD 3.23Å; T740-Q743 WeakPolarHBondContact OG1-CG 3.46Å; T740-Q743 PolarHBondContact OG1-OE1 3.26Å
741V65.3Low71.2Confident67 Ų67105.1 Ų105.141%0.40653%0.529SS..THydrogen-bonded Turntrans-60-21-179.1-177.80000112.9W725 V729 V730W725-V741 WeakPolarHBondContact CH2-O 3.45Å; W725-V741 HydrophobicContact CZ3-CG1 4.34Å; W725-V741 WeakPolarHBondContact CZ3-O 3.47Å; V729-V741 HydrophobicContact CB-CG2 4.29Å; V729-V741 HydrophobicContact CG1-CB 4.46Å; V729-V741 HydrophobicContact CG1-CG2 3.45Å; V729-V741 VanDerWaalsContact CG1-CG2 3.45Å; V730-V741 HydrophobicContact CG2-CG2 4.05Å
742W72.2Confident72.2Confident243 Ų243100.4 Ų100.492%0.9252%0.515SS*.THydrogen-bonded Turntrans-88.2-16.1179.4-54107000113.9T740T740-W742 PolarHBondContact O-N 2.92Å; T740-W742 VanDerWaalsContact O-N 3.1Å
743Q73.2Confident73.5Confident143 Ų14396.7 Ų96.767%0.66850%0.495SS*.  trans-10358.6-179.1-66.9175.3-23.300111.1T740 P745T740-Q743 PolarHBondContact O-N 2.87Å; T740-Q743 VanDerWaalsContact O-N 3.08Å; T740-Q743 VanDerWaalsContact OG1-CB 3.31Å; T740-Q743 WeakPolarHBondContact OG1-CB 3.16Å; T740-Q743 VanDerWaalsContact OG1-CD 3.23Å; T740-Q743 WeakPolarHBondContact OG1-CG 3.46Å; T740-Q743 PolarHBondContact OG1-OE1 3.26Å; Q743-P745 WeakPolarHBondContact O-CD 3.26Å
744Y81.9Confident75.2Confident41 Ų4189.9 Ų89.916%0.16146%0.457CS..  trans-67.1118.6171.9-177-128.7000109.3I721 F722 W725 V746 E748I721-Y744 HydrophobicContact CG2-CE2 4.45Å; I721-Y744 VanDerWaalsContact CG2-OH 3.3Å; I721-Y744 WeakPolarHBondContact CG2-OH 3.23Å; F722-Y744 HydrophobicContact CB-CE1 4.41Å; F722-Y744 AromaticContact CD2-CD1 3.95Å; F722-Y744 HydrophobicContact CD2-CD1 3.95Å; F722-Y744 HydrophobicContact CD2-CD2 4.22Å; F722-Y744 AromaticContact CD2-CE1 3.92Å; F722-Y744 HydrophobicContact CD2-CE1 3.92Å; F722-Y744 HydrophobicContact CD2-CE2 4.24Å; F722-Y744 HydrophobicContact CD2-CG 4.1Å; F722-Y744 HydrophobicContact CE2-CD1 4.49Å; F722-Y744 HydrophobicContact CE2-CG 4.46Å; F722-Y744 PolarHBondContact N-OH 3.4Å; W725-Y744 HydrophobicContact CB-CD2 4.21Å; W725-Y744 HydrophobicContact CB-CE2 3.93Å; W725-Y744 AromaticContact CD2-CD2 3.59Å; W725-Y744 HydrophobicContact CD2-CD2 3.59Å; W725-Y744 HydrophobicContact CD2-CE2 4.24Å; W725-Y744 AromaticContact CE3-CD2 3.76Å; W725-Y744 HydrophobicContact CE3-CD2 3.76Å; W725-Y744 HydrophobicContact CE3-CG 4.39Å; W725-Y744 AromaticContact CG-CD2 3.79Å; W725-Y744 HydrophobicContact CG-CD2 3.79Å; W725-Y744 AromaticContact CG-CE2 3.98Å; W725-Y744 HydrophobicContact CG-CE2 3.98Å; W725-Y744 HydrophobicContact CZ2-CD2 4.46Å; W725-Y744 HydrophobicContact CZ3-CD2 4.22Å; W725-Y744 HydrophobicContact CZ3-CG 4.46Å; Y744-V746 HydrophobicContact CD1-CB 4.39Å; Y744-V746 WeakPolarHBondContact CD1-O 3.24Å; Y744-V746 HydrophobicContact CE1-CB 3.77Å; Y744-V746 WeakPolarHBondContact CE1-O 3.49Å; Y744-V746 HydrophobicContact CE2-CB 4.27Å; Y744-V746 HydrophobicContact CE2-CG2 4.42Å; Y744-V746 PolarHBondContact O-N 3.45Å; Y744-E748 HydrophobicContact CE1-CG 4.02Å
745P79.5Confident76.7Confident107 Ų10786.5 Ų86.570%0.69545%0.449SS*.SBendtrans-77.1-8.1-169.729.7-35.2000113.8Q743Q743-P745 WeakPolarHBondContact O-CD 3.26Å
746V83.1Confident78.6Confident63 Ų6377.5 Ų77.538%0.38241%0.408SS..SBendtrans-107.4131.8-176.7-175.90000109.6Y744Y744-V746 HydrophobicContact CD1-CB 4.39Å; Y744-V746 WeakPolarHBondContact CD1-O 3.24Å; Y744-V746 HydrophobicContact CE1-CB 3.77Å; Y744-V746 WeakPolarHBondContact CE1-O 3.49Å; Y744-V746 HydrophobicContact CE2-CB 4.27Å; Y744-V746 HydrophobicContact CE2-CG2 4.42Å; Y744-V746 PolarHBondContact O-N 3.45Å
747T80.5Confident80.4Confident106 Ų10675.1 Ų75.165%0.6539%0.394SS*.  trans-82.6124.1174.955.80000110.9K749T747-K749 PolarHBondContact O-N 2.82Å
748E84.1Confident81.9Confident91 Ų9178.8 Ų78.843%0.42539%0.387SS..  trans-78.859.7178.6-60.9-176.1161.800112.9Y744 L752Y744-E748 HydrophobicContact CE1-CG 4.02Å; E748-L752 PolarHBondContact O-N 3.1Å
749K87.9Confident83.1Confident77 Ų7780 Ų8034%0.33539%0.388SS..Hα-helixtrans-70-40.1-17559-177.2178160.80112.3F688 I692 E718 T747 L753F688-K749 HydrophobicContact CE1-CD 4.24Å; I692-K749 HydrophobicContact CD1-CB 4.06Å; E718-K749 PolarHBondContact OE1-N 3.48Å; T747-K749 PolarHBondContact O-N 2.82Å; K749-L753 WeakPolarHBondContact O-CB 3.49Å; K749-L753 PolarHBondContact O-N 2.92Å; K749-L753 VanDerWaalsContact O-N 3.13Å
750Y90.5Very high84.3Confident32 Ų3277.1 Ų77.113%0.12538%0.377CS..Hα-helixtrans-80.2-33.4-176.3-60.3-61.6000111.6F688 F711 L714 E718 L753 Y754 I803F688-Y750 HydrophobicContact CE1-CE1 4.07Å; F688-Y750 HydrophobicContact CZ-CD1 4.14Å; F688-Y750 AromaticContact CZ-CE1 3.82Å; F688-Y750 HydrophobicContact CZ-CE1 3.82Å; F711-Y750 HydrophobicContact CD1-CD1 4.12Å; F711-Y750 HydrophobicContact CE1-CD1 4.17Å; F711-Y750 HydrophobicContact CE1-CE1 4.41Å; L714-Y750 HydrophobicContact CB-CD2 3.91Å; L714-Y750 HydrophobicContact CB-CG 3.99Å; L714-Y750 HydrophobicContact CD1-CD1 4.11Å; L714-Y750 HydrophobicContact CD1-CD2 3.9Å; L714-Y750 HydrophobicContact CD1-CE1 4.05Å; L714-Y750 HydrophobicContact CD1-CE2 3.78Å; L714-Y750 HydrophobicContact CD1-CG 4.05Å; L714-Y750 HydrophobicContact CD2-CD2 4.35Å; L714-Y750 HydrophobicContact CD2-CE2 4.28Å; L714-Y750 HydrophobicContact CG-CD2 4.3Å; L714-Y750 HydrophobicContact CG-CE2 4.46Å; E718-Y750 WeakPolarHBondContact OE1-CD2 3.49Å; E718-Y750 PolarHBondContact OE1-N 2.65Å; E718-Y750 PolarHBondContact OE2-N 2.94Å; E718-Y750 VanDerWaalsContact OE2-N 3.1Å; Y750-L753 PolarHBondContact O-N 3.05Å; Y750-Y754 WeakPolarHBondContact O-CB 3.3Å; Y750-Y754 PolarHBondContact O-N 2.78Å; Y750-I803 HydrophobicContact CE1-CG2 4.15Å
751G89Confident85.4Confident14 Ų1475.9 Ų75.914%0.14438%0.375CS..Hα-helixtrans-62.1-44.4173.800000112.5E718 S755E718-G751 PolarHBondContact OE2-N 3.18Å; G751-S755 WeakPolarHBondContact O-CB 3.21Å; G751-S755 PolarHBondContact O-N 3.07Å; G751-S755 PolarHBondContact O-OG 2.94Å
752L89Confident86.6Confident75 Ų7575.2 Ų75.239%0.39337%0.367SS..Hα-helixtrans-63.9-46.2173.2-178.859.7000111.7I692 E748 S755 R756I692-L752 HydrophobicContact CG2-CD2 3.82Å; E748-L752 PolarHBondContact O-N 3.1Å; L752-S755 PolarHBondContact O-N 3.22Å; L752-R756 HydrophobicContact CD1-CG 4.42Å; L752-R756 WeakPolarHBondContact O-CG 3.44Å; L752-R756 PolarHBondContact O-N 3.36Å; L752-R756 VanDerWaalsContact O-N 3.12Å
753L89.9Confident87.4Confident0 Ų063.6 Ų63.60%032%0.323CS..Hα-helixtrans-57.1-52.7178.8-167.785.4000111.3F688 I692 Y699 F711 K749 Y750 S755 R756 M757 F780F688-L753 HydrophobicContact CE2-CD1 4.18Å; F688-L753 HydrophobicContact CE2-CD2 3.98Å; F688-L753 HydrophobicContact CZ-CD2 4.17Å; I692-L753 HydrophobicContact CG1-CD1 3.95Å; Y699-L753 HydrophobicContact CD2-CD1 3.76Å; Y699-L753 HydrophobicContact CD2-CG 4.27Å; Y699-L753 HydrophobicContact CE1-CD1 4.25Å; Y699-L753 HydrophobicContact CE2-CD1 3.24Å; Y699-L753 HydrophobicContact CE2-CG 3.71Å; Y699-L753 HydrophobicContact CG-CD1 4.46Å; F711-L753 HydrophobicContact CD1-CD2 3.67Å; F711-L753 HydrophobicContact CE1-CD2 3.36Å; F711-L753 HydrophobicContact CG-CD2 4.42Å; F711-L753 HydrophobicContact CZ-CD2 3.88Å; K749-L753 WeakPolarHBondContact O-CB 3.49Å; K749-L753 PolarHBondContact O-N 2.92Å; K749-L753 VanDerWaalsContact O-N 3.13Å; Y750-L753 PolarHBondContact O-N 3.05Å; L753-S755 PolarHBondContact O-N 3.22Å; L753-R756 PolarHBondContact O-N 3.12Å; L753-M757 HydrophobicContact CD2-CE 3.96Å; L753-M757 HydrophobicContact CG-CE 4Å; L753-M757 HydrophobicContact CG-SD 4.43Å; L753-M757 WeakPolarHBondContact O-CG 3.36Å; L753-M757 PolarHBondContact O-N 2.97Å; L753-F780 HydrophobicContact CD1-CE2 4.01Å; L753-F780 HydrophobicContact CD1-CZ 3.96Å; L753-F780 HydrophobicContact CD2-CE2 4.02Å; L753-F780 HydrophobicContact CD2-CZ 4.01Å; L753-F780 HydrophobicContact CG-CE2 4.38Å
754Y91.9Very high87.9Confident20 Ų2062.2 Ų62.28%0.07832%0.32CS..Hα-helixtrans-62.7-41.6-178.6-175.3-92.2000112.4L708 F711 E712 Y750 R756 M757 R758 F762L708-Y754 HydrophobicContact CD1-CE2 3.81Å; F711-Y754 HydrophobicContact CB-CD2 4.09Å; E712-Y754 HydrophobicContact CB-CE2 3.95Å; Y750-Y754 WeakPolarHBondContact O-CB 3.3Å; Y750-Y754 PolarHBondContact O-N 2.78Å; Y754-R756 VanDerWaalsContact C-N 3.32Å; Y754-R756 PolarHBondContact O-N 3.4Å; Y754-M757 HydrophobicContact CD2-CE 4.34Å; Y754-M757 PolarHBondContact O-N 3.42Å; Y754-R758 WeakPolarHBondContact O-CB 3.47Å; Y754-R758 PolarHBondContact O-N 2.89Å; Y754-F762 HydrophobicContact CE2-CZ 4.48Å
755S90.4Very high88Confident66 Ų6663 Ų6346%0.46233%0.331SS..Hα-helixtrans-60.6-42.5178.1-600000111.6G751 L752 L753 R758 E759G751-S755 WeakPolarHBondContact O-CB 3.21Å; G751-S755 PolarHBondContact O-N 3.07Å; G751-S755 PolarHBondContact O-OG 2.94Å; L752-S755 PolarHBondContact O-N 3.22Å; L753-S755 PolarHBondContact O-N 3.22Å; S755-R758 PolarHBondContact O-N 3.37Å; S755-E759 WeakPolarHBondContact O-CB 3.26Å; S755-E759 PolarHBondContact O-N 2.87Å
756R90.9Very high88.2Confident26 Ų2661.3 Ų61.310%0.09831%0.314CS..Hα-helixtrans-68.7-41.5175.8-63.8-160.7-154.9148.4-10.5112.8I692 Q694 Y699 L752 L753 Y754 R758 E759 W760I692-R756 PolarHBondContact O-NH1 3.19Å; I692-R756 PolarHBondContact O-NH2 3.39Å; I692-R756 VanDerWaalsContact O-NH2 3.1Å; Q694-R756 PolarHBondContact O-NH1 3.37Å; Y699-R756 HydrophobicContact CE2-CB 4.15Å; Y699-R756 VanDerWaalsContact OH-CD 3.26Å; Y699-R756 WeakPolarHBondContact OH-CD 3.45Å; Y699-R756 PolarHBondContact OH-NH1 3.5Å; L752-R756 HydrophobicContact CD1-CG 4.42Å; L752-R756 WeakPolarHBondContact O-CG 3.44Å; L752-R756 PolarHBondContact O-N 3.36Å; L752-R756 VanDerWaalsContact O-N 3.12Å; L753-R756 PolarHBondContact O-N 3.12Å; Y754-R756 VanDerWaalsContact C-N 3.32Å; Y754-R756 PolarHBondContact O-N 3.4Å; R756-R758 VanDerWaalsContact C-N 3.26Å; R756-R758 PolarHBondContact O-N 3.5Å; R756-E759 PolarHBondContact O-N 3.18Å; R756-W760 HydrophobicContact CB-CD2 4.32Å; R756-W760 HydrophobicContact CB-CE3 4.13Å; R756-W760 HydrophobicContact CB-CH2 3.99Å; R756-W760 HydrophobicContact CB-CZ2 4.15Å; R756-W760 HydrophobicContact CB-CZ3 3.96Å; R756-W760 HydrophobicContact CG-CH2 4.46Å; R756-W760 HydrophobicContact CG-CZ2 4.45Å; R756-W760 WeakPolarHBondContact O-CB 3.43Å; R756-W760 VanDerWaalsContact O-CG 3.28Å; R756-W760 PolarHBondContact O-N 2.84Å
757M91.7Very high88.3Confident0 Ų066 Ų660%033%0.331CS..Hα-helixtrans-60.3-39.4175-67.7-173.8-65.800111.5Y699 V701 F711 L753 Y754 G761 F762 F780Y699-M757 HydrophobicContact CD2-CG 3.59Å; Y699-M757 HydrophobicContact CD2-SD 4.24Å; Y699-M757 HydrophobicContact CE2-CG 3.75Å; V701-M757 HydrophobicContact CB-SD 4.43Å; V701-M757 HydrophobicContact CG2-CE 4.23Å; V701-M757 HydrophobicContact CG2-SD 3.49Å; V701-M757 WeakPolarHBondContact CG2-SD 3.33Å; F711-M757 HydrophobicContact CB-CE 4.03Å; F711-M757 HydrophobicContact CD1-CE 4.49Å; F711-M757 HydrophobicContact CD2-CE 3.96Å; F711-M757 HydrophobicContact CG-CE 3.91Å; L753-M757 HydrophobicContact CD2-CE 3.96Å; L753-M757 HydrophobicContact CG-CE 4Å; L753-M757 HydrophobicContact CG-SD 4.43Å; L753-M757 WeakPolarHBondContact O-CG 3.36Å; L753-M757 PolarHBondContact O-N 2.97Å; Y754-M757 HydrophobicContact CD2-CE 4.34Å; Y754-M757 PolarHBondContact O-N 3.42Å; M757-G761 CarbonylContact O-C 3.53Å; M757-G761 WeakPolarHBondContact O-CA 3.5Å; M757-G761 PolarHBondContact O-N 3.11Å; M757-F762 HydrophobicContact CB-CD1 4.46Å; M757-F762 HydrophobicContact CB-CE1 3.72Å; M757-F762 HydrophobicContact CB-CZ 4.4Å; M757-F780 HydrophobicContact SD-CD2 4.18Å; M757-F780 HydrophobicContact SD-CE2 4.43Å
758R91.2Very high88.7Confident174 Ų17464.4 Ų64.466%0.65732%0.317SS*.Hα-helixtrans-68.3-37.8176.6-173.3176.1-177.1178.12.8112.6Y754 S755 R756 F762Y754-R758 WeakPolarHBondContact O-CB 3.47Å; Y754-R758 PolarHBondContact O-N 2.89Å; S755-R758 PolarHBondContact O-N 3.37Å; R756-R758 VanDerWaalsContact C-N 3.26Å; R756-R758 PolarHBondContact O-N 3.5Å; R758-F762 HydrophobicContact CB-CE2 4.41Å; R758-F762 HydrophobicContact CB-CZ 4.12Å; R758-F762 HydrophobicContact CG-CE2 4.49Å
759E90.1Very high88.9Confident156 Ų15660.6 Ų60.673%0.72930%0.3SS*.Hα-helixtrans-67.3-42.2175.9-174.3-177.1176.500111.9S755 R756S755-E759 WeakPolarHBondContact O-CB 3.26Å; S755-E759 PolarHBondContact O-N 2.87Å; R756-E759 PolarHBondContact O-N 3.18Å
760W90Very high88.9Confident62 Ų6257.8 Ų57.824%0.23529%0.288CS..Hα-helixtrans-82.4-23.6-178.2-61.7-24.4000114.1K698 Y699 R756 W777K698-W760 HydrophobicContact CB-CD2 4.48Å; K698-W760 HydrophobicContact CB-CE3 4.15Å; K698-W760 HydrophobicContact CB-CZ3 4.36Å; K698-W760 HydrophobicContact CG-CD2 4.32Å; K698-W760 HydrophobicContact CG-CE3 4.43Å; Y699-W760 HydrophobicContact CD1-CH2 4.17Å; Y699-W760 AromaticContact CD1-CZ3 3.62Å; Y699-W760 HydrophobicContact CD1-CZ3 3.62Å; Y699-W760 HydrophobicContact CD2-CE3 4.47Å; Y699-W760 AromaticContact CD2-CZ3 3.91Å; Y699-W760 HydrophobicContact CD2-CZ3 3.91Å; Y699-W760 AromaticContact CE1-CH2 3.75Å; Y699-W760 HydrophobicContact CE1-CH2 3.75Å; Y699-W760 AromaticContact CE1-CZ3 3.51Å; Y699-W760 HydrophobicContact CE1-CZ3 3.51Å; Y699-W760 HydrophobicContact CE2-CE3 4.47Å; Y699-W760 AromaticContact CE2-CZ3 3.78Å; Y699-W760 HydrophobicContact CE2-CZ3 3.78Å; Y699-W760 AromaticContact CG-CZ3 3.82Å; Y699-W760 HydrophobicContact CG-CZ3 3.82Å; Y699-W760 AromaticContact CZ-CH2 3.96Å; Y699-W760 AromaticContact CZ-CZ3 3.59Å; R756-W760 HydrophobicContact CB-CD2 4.32Å; R756-W760 HydrophobicContact CB-CE3 4.13Å; R756-W760 HydrophobicContact CB-CH2 3.99Å; R756-W760 HydrophobicContact CB-CZ2 4.15Å; R756-W760 HydrophobicContact CB-CZ3 3.96Å; R756-W760 HydrophobicContact CG-CH2 4.46Å; R756-W760 HydrophobicContact CG-CZ2 4.45Å; R756-W760 WeakPolarHBondContact O-CB 3.43Å; R756-W760 VanDerWaalsContact O-CG 3.28Å; R756-W760 PolarHBondContact O-N 2.84Å; W760-W777 HydrophobicContact CB-CH2 3.99Å; W760-W777 HydrophobicContact CB-CZ3 4.03Å
761G90.2Very high88.7Confident30 Ų3062.8 Ų62.831%0.30931%0.31SS..  trans101.8157.9179.100000113.9T700 M757T700-G761 WeakPolarHBondContact CB-O 3.32Å; T700-G761 PolarHBondContact OG1-O 2.87Å; M757-G761 CarbonylContact O-C 3.53Å; M757-G761 WeakPolarHBondContact O-CA 3.5Å; M757-G761 PolarHBondContact O-N 3.11Å
762F91.5Very high88.8Confident53 Ų5363.4 Ų63.423%0.23231%0.31CS..  trans-105.5153.9179.4-54.9-70.4000111.2T700 L708 Y754 M757 R758T700-F762 WeakPolarHBondContact OG1-CA 3.48Å; L708-F762 HydrophobicContact CD1-CD1 3.94Å; L708-F762 HydrophobicContact CD1-CE1 3.4Å; L708-F762 VanDerWaalsContact CD1-CE1 3.4Å; L708-F762 HydrophobicContact CD1-CE2 4.43Å; L708-F762 HydrophobicContact CD1-CZ 3.69Å; Y754-F762 HydrophobicContact CE2-CZ 4.48Å; M757-F762 HydrophobicContact CB-CD1 4.46Å; M757-F762 HydrophobicContact CB-CE1 3.72Å; M757-F762 HydrophobicContact CB-CZ 4.4Å; R758-F762 HydrophobicContact CB-CE2 4.41Å; R758-F762 HydrophobicContact CB-CZ 4.12Å; R758-F762 HydrophobicContact CG-CE2 4.49Å
763S88.6Confident88.7Confident0 Ų059.9 Ų59.90%029%0.292CS..BIsolated β-bridgetrans-86.5132.8175.7-178.50000111.4V701 R702 S703 S765 T769V701-S763 PolarHBondContact O-N 3.23Å; R702-S763 CarbonylContact C-O 3.25Å; R702-S763 VanDerWaalsContact CA-O 3.28Å; R702-S763 WeakPolarHBondContact CA-O 3.13Å; R702-S763 WeakPolarHBondContact CG-O 3.27Å; S703-S763 PolarHBondContact N-O 3.42Å; S703-S763 PolarHBondContact OG-O 2.88Å; S763-S765 PolarHBondContact OG-O 3.47Å; S763-S765 VanDerWaalsContact OG-O 3.14Å; S763-T769 WeakPolarHBondContact CB-OG1 3.43Å; S763-T769 WeakPolarHBondContact OG-CA 3.46Å; S763-T769 PolarHBondContact OG-N 3.46Å; S763-T769 PolarHBondContact OG-OG1 3.47Å
764N84.4Confident88.4Confident114 Ų11463.7 Ų63.761%0.6131%0.312SS*.  trans-94.7-36.3-177.8-63.4-55.2000113.6S703 E768S703-N764 WeakPolarHBondContact CB-OD1 3Å; S703-N764 WeakPolarHBondContact OG-CA 3.44Å; S703-N764 PolarHBondContact OG-OD1 3.42Å; N764-E768 PolarHBondContact N-OE2 3.17Å
765S84.7Confident88.1Confident56 Ų5667.8 Ų67.839%0.39234%0.336SS..SBendtrans-116.3157.4-17976.80000111.6S763 E767 E768 T769S763-S765 PolarHBondContact OG-O 3.47Å; S763-S765 VanDerWaalsContact OG-O 3.14Å; S765-E767 VanDerWaalsContact C-N 3.28Å; S765-E767 PolarHBondContact O-N 2.96Å; S765-E768 PolarHBondContact O-N 2.94Å; S765-E768 WeakPolarHBondContact OG-CB 3.46Å; S765-E768 PolarHBondContact OG-N 3.26Å; S765-T769 PolarHBondContact O-N 3.43Å; S765-T769 PolarHBondContact O-OG1 3.46Å
766H82.4Confident87.8Confident73 Ų7366.3 Ų66.334%0.33833%0.331SS..Hα-helixtrans-61.3-39.5174.3177.956.5000111.7E768 T769 M770 Y789H766-E768 VanDerWaalsContact C-N 3.33Å; H766-E768 PolarHBondContact O-N 2.92Å; H766-T769 WeakPolarHBondContact O-CB 3.3Å; H766-T769 PolarHBondContact O-N 3.04Å; H766-T769 VanDerWaalsContact O-N 3.12Å; H766-M770 WeakPolarHBondContact O-CG 3.4Å; H766-M770 PolarHBondContact O-N 2.9Å; H766-Y789 AromaticContact CE1-CD1 3.58Å; H766-Y789 AromaticContact CE1-CE1 3.04Å; H766-Y789 WeakPolarHBondContact CE1-CE1 3.28Å; H766-Y789 AromaticContact CE1-CE2 3.94Å; H766-Y789 AromaticContact CE1-CZ 3.24Å; H766-Y789 PolarHBondContact CE1-OH 3.29Å; H766-Y789 AromaticContact ND1-CE1 3.87Å; H766-Y789 AromaticContact ND1-CZ 3.61Å; H766-Y789 PolarHBondContact ND1-OH 3.3Å; H766-Y789 AromaticContact NE2-CD1 3.93Å; H766-Y789 AromaticContact NE2-CE1 3.29Å; H766-Y789 VanDerWaalsContact NE2-CE1 3.29Å; H766-Y789 WeakPolarHBondContact NE2-CE1 3.19Å; H766-Y789 AromaticContact NE2-CZ 3.84Å
767E85.8Confident87.7Confident160 Ų16066.9 Ų66.975%0.74833%0.333SS*.Hα-helixtrans-62.8-39177.1-171.4174.1-178.600112.2S765 M770 K771S765-E767 VanDerWaalsContact C-N 3.28Å; S765-E767 PolarHBondContact O-N 2.96Å; E767-M770 PolarHBondContact O-N 3.36Å; E767-K771 WeakPolarHBondContact O-CB 3.39Å; E767-K771 PolarHBondContact O-N 3.04Å
768E88.4Confident87.7Confident74 Ų7467.4 Ų67.435%0.34634%0.336SS..Hα-helixtrans-66.5-39.8172.4-177.2177.7-150.600111.5N764 S765 H766 M770 K771 L772N764-E768 PolarHBondContact N-OE2 3.17Å; S765-E768 PolarHBondContact O-N 2.94Å; S765-E768 WeakPolarHBondContact OG-CB 3.46Å; S765-E768 PolarHBondContact OG-N 3.26Å; H766-E768 VanDerWaalsContact C-N 3.33Å; H766-E768 PolarHBondContact O-N 2.92Å; E768-M770 VanDerWaalsContact C-N 3.3Å; E768-M770 PolarHBondContact O-N 2.92Å; E768-K771 PolarHBondContact O-N 3.17Å; E768-L772 HydrophobicContact CG-CD1 4.39Å; E768-L772 WeakPolarHBondContact O-CG 3.35Å; E768-L772 PolarHBondContact O-N 3.35Å
769T88.6Confident87.7Confident10 Ų1059.2 Ų59.26%0.06131%0.305CS..Hα-helixtrans-59-45.1175.4-570000110.3S763 S765 H766 L772 I773 I779S763-T769 WeakPolarHBondContact CB-OG1 3.43Å; S763-T769 WeakPolarHBondContact OG-CA 3.46Å; S763-T769 PolarHBondContact OG-N 3.46Å; S763-T769 PolarHBondContact OG-OG1 3.47Å; S765-T769 PolarHBondContact O-N 3.43Å; S765-T769 PolarHBondContact O-OG1 3.46Å; H766-T769 WeakPolarHBondContact O-CB 3.3Å; H766-T769 PolarHBondContact O-N 3.04Å; H766-T769 VanDerWaalsContact O-N 3.12Å; T769-L772 PolarHBondContact O-N 3.25Å; T769-I773 HydrophobicContact CG2-CD1 4.19Å; T769-I773 WeakPolarHBondContact O-CG1 3.38Å; T769-I773 PolarHBondContact O-N 2.88Å; T769-I779 HydrophobicContact CG2-CB 4.36Å; T769-I779 HydrophobicContact CG2-CD1 4.34Å; T769-I779 HydrophobicContact CG2-CG1 3.93Å; T769-I779 HydrophobicContact CG2-CG2 3.8Å
770M87Confident87.9Confident19 Ų1951.9 Ų51.99%0.09427%0.271CS..Hα-helixtrans-66.7-37.2178-66.2-46.6-52.700112.7H766 E767 E768 I773 N774 E793 L796H766-M770 WeakPolarHBondContact O-CG 3.4Å; H766-M770 PolarHBondContact O-N 2.9Å; E767-M770 PolarHBondContact O-N 3.36Å; E768-M770 VanDerWaalsContact C-N 3.3Å; E768-M770 PolarHBondContact O-N 2.92Å; M770-I773 HydrophobicContact CE-CD1 4.4Å; M770-I773 PolarHBondContact O-N 2.6Å; M770-I773 HydrophobicContact SD-CD1 4.08Å; M770-N774 PolarHBondContact O-N 2.9Å; M770-N774 PolarHBondContact O-ND2 2.99Å; M770-E793 VanDerWaalsContact CE-OE1 3.27Å; M770-E793 WeakPolarHBondContact CE-OE1 3.49Å; M770-E793 WeakPolarHBondContact CE-OE2 3.44Å; M770-L796 HydrophobicContact CE-CD1 4.02Å; M770-L796 HydrophobicContact CE-CD2 4.25Å
771K87.9Confident87.9Confident136 Ų13649.7 Ų49.759%0.59126%0.264SS*.Hα-helixtrans-62.2-45.8173.2-172.5179.2177.3-177.20111.8E767 E768 I773 N774 D775E767-K771 WeakPolarHBondContact O-CB 3.39Å; E767-K771 PolarHBondContact O-N 3.04Å; E768-K771 PolarHBondContact O-N 3.17Å; K771-I773 VanDerWaalsContact C-N 3.34Å; K771-I773 PolarHBondContact O-N 3.27Å; K771-N774 WeakPolarHBondContact O-CB 3.29Å; K771-N774 PolarHBondContact O-N 3.32Å; K771-D775 VanDerWaalsContact O-CG 3.29Å; K771-D775 PolarHBondContact O-N 3.49Å
772L89.3Confident87.9Confident27 Ų2748.5 Ų48.514%0.14125%0.25CC..Hα-helixtrans-61.8-41.3177.3-69.2171.3000112T700 E768 T769 N774 D775 G776 W777 I779T700-L772 HydrophobicContact CG2-CD1 3.92Å; E768-L772 HydrophobicContact CG-CD1 4.39Å; E768-L772 WeakPolarHBondContact O-CG 3.35Å; E768-L772 PolarHBondContact O-N 3.35Å; T769-L772 PolarHBondContact O-N 3.25Å; L772-N774 VanDerWaalsContact C-N 3.32Å; L772-N774 PolarHBondContact O-N 2.84Å; L772-D775 CarbonylContact O-C 3.11Å; L772-D775 PolarHBondContact O-N 2.9Å; L772-D775 VanDerWaalsContact O-N 3.16Å; L772-G776 PolarHBondContact O-N 3.26Å; L772-W777 HydrophobicContact CB-CB 4.12Å; L772-W777 HydrophobicContact CB-CG 4.11Å; L772-W777 HydrophobicContact CD2-CD2 3.99Å; L772-W777 HydrophobicContact CD2-CE3 4.47Å; L772-W777 HydrophobicContact CD2-CG 4.28Å; L772-W777 HydrophobicContact CD2-CZ2 4.13Å; L772-W777 VanDerWaalsContact O-CB 3.23Å; L772-W777 WeakPolarHBondContact O-CB 3.33Å; L772-W777 VanDerWaalsContact O-CD1 3.26Å; L772-W777 PolarHBondContact O-N 3.2Å; L772-I779 HydrophobicContact CB-CD1 4.37Å
773I87.4Confident87.9Confident1 Ų146.3 Ų46.31%0.00524%0.241CC..Hα-helixtrans-62.4-41.8175.6-65.3165.5000110.8K561 T769 M770 K771 D775 G776 I779 M781 L796K561-I773 HydrophobicContact CB-CG2 4.14Å; T769-I773 HydrophobicContact CG2-CD1 4.19Å; T769-I773 WeakPolarHBondContact O-CG1 3.38Å; T769-I773 PolarHBondContact O-N 2.88Å; M770-I773 HydrophobicContact CE-CD1 4.4Å; M770-I773 PolarHBondContact O-N 2.6Å; M770-I773 HydrophobicContact SD-CD1 4.08Å; K771-I773 VanDerWaalsContact C-N 3.34Å; K771-I773 PolarHBondContact O-N 3.27Å; I773-D775 VanDerWaalsContact C-N 3.26Å; I773-D775 PolarHBondContact O-N 3.06Å; I773-G776 PolarHBondContact O-N 3.5Å; I773-I779 HydrophobicContact CD1-CB 4.24Å; I773-I779 HydrophobicContact CD1-CG1 3.84Å; I773-I779 HydrophobicContact CG1-CB 4.19Å; I773-I779 HydrophobicContact CG1-CG1 3.38Å; I773-M781 HydrophobicContact CD1-CE 4.35Å; I773-L796 HydrophobicContact CG2-CD2 3.46Å; I773-L796 VanDerWaalsContact CG2-CD2 3.46Å
774N84.1Confident87.9Confident80 Ų8046.3 Ų46.343%0.42824%0.241SC..Hα-helixtrans-63.7-31.8174.9-80.2-38.2000113.1M770 K771 L772 G776M770-N774 PolarHBondContact O-N 2.9Å; M770-N774 PolarHBondContact O-ND2 2.99Å; K771-N774 WeakPolarHBondContact O-CB 3.29Å; K771-N774 PolarHBondContact O-N 3.32Å; L772-N774 VanDerWaalsContact C-N 3.32Å; L772-N774 PolarHBondContact O-N 2.84Å; N774-G776 PolarHBondContact O-N 3.26Å
775D85.5Confident88.2Confident107 Ų10741.6 Ų41.657%0.57222%0.215SC*.THydrogen-bonded Turntrans-77.75.8174.1-65.5-15.6000112.9K771 L772 I773K771-D775 VanDerWaalsContact O-CG 3.29Å; K771-D775 PolarHBondContact O-N 3.49Å; L772-D775 CarbonylContact O-C 3.11Å; L772-D775 PolarHBondContact O-N 2.9Å; L772-D775 VanDerWaalsContact O-N 3.16Å; I773-D775 VanDerWaalsContact C-N 3.26Å; I773-D775 PolarHBondContact O-N 3.06Å
776G84.2Confident88.4Confident35 Ų3538.9 Ų38.936%0.36120%0.196SC..THydrogen-bonded Turntrans88.713.2176.200000115.3L772 I773 N774L772-G776 PolarHBondContact O-N 3.26Å; I773-G776 PolarHBondContact O-N 3.5Å; N774-G776 PolarHBondContact O-N 3.26Å
777W89.7Confident88.7Confident38 Ų3837.2 Ų37.214%0.14419%0.19CC..  trans-78.6152.7176.2-66.254.7000111.8K698 T700 W760 L772K698-W777 HydrophobicContact CB-CD2 3.53Å; K698-W777 HydrophobicContact CB-CE3 3.51Å; K698-W777 HydrophobicContact CB-CG 4.17Å; K698-W777 HydrophobicContact CB-CH2 4.05Å; K698-W777 HydrophobicContact CB-CZ2 4.05Å; K698-W777 HydrophobicContact CB-CZ3 3.77Å; K698-W777 HydrophobicContact CD-CD2 4.32Å; K698-W777 HydrophobicContact CD-CH2 3.64Å; K698-W777 HydrophobicContact CD-CZ2 3.32Å; K698-W777 HydrophobicContact CD-CZ3 4.25Å; K698-W777 HydrophobicContact CG-CH2 4.46Å; K698-W777 HydrophobicContact CG-CZ2 4.33Å; K698-W777 WeakPolarHBondContact O-CA 3.33Å; T700-W777 HydrophobicContact CG2-CE3 3.89Å; T700-W777 HydrophobicContact CG2-CZ3 4.14Å; W760-W777 HydrophobicContact CB-CH2 3.99Å; W760-W777 HydrophobicContact CB-CZ3 4.03Å; L772-W777 HydrophobicContact CB-CB 4.12Å; L772-W777 HydrophobicContact CB-CG 4.11Å; L772-W777 HydrophobicContact CD2-CD2 3.99Å; L772-W777 HydrophobicContact CD2-CE3 4.47Å; L772-W777 HydrophobicContact CD2-CG 4.28Å; L772-W777 HydrophobicContact CD2-CZ2 4.13Å; L772-W777 VanDerWaalsContact O-CB 3.23Å; L772-W777 WeakPolarHBondContact O-CB 3.33Å; L772-W777 VanDerWaalsContact O-CD1 3.26Å; L772-W777 PolarHBondContact O-N 3.2Å
778V90.4Very high88.8Confident10 Ų1031.8 Ų31.86%0.06116%0.163CC..EExtended strand (participates in β ladder)trans-96.7123.8170.71760000109.6M558 L691 V697 K698 Y699 T700M558-V778 HydrophobicContact CB-CG1 3.72Å; M558-V778 HydrophobicContact CG-CG1 4.09Å; L691-V778 HydrophobicContact CD1-CB 4.45Å; L691-V778 HydrophobicContact CD1-CG2 4.06Å; L691-V778 HydrophobicContact CD2-CB 4.37Å; L691-V778 HydrophobicContact CD2-CG1 3.92Å; V697-V778 HydrophobicContact CG1-CB 4.48Å; V697-V778 HydrophobicContact CG1-CG2 3.53Å; K698-V778 PolarHBondContact O-N 3.01Å; Y699-V778 CarbonylContact C-O 3.59Å; Y699-V778 WeakPolarHBondContact CA-O 3.48Å; Y699-V778 WeakPolarHBondContact CB-O 3.33Å; T700-V778 PolarHBondContact N-O 3.35Å
779I92.3Very high88.7Confident3 Ų329.7 Ų29.72%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-105.9129.8177.9-57-61.9000110.2V559 T700 T769 L772 I773 M781V559-I779 PolarHBondContact N-O 2.91Å; V559-I779 PolarHBondContact O-N 3.4Å; T700-I779 HydrophobicContact CG2-CD1 3.31Å; T700-I779 WeakPolarHBondContact O-CA 3.49Å; T769-I779 HydrophobicContact CG2-CB 4.36Å; T769-I779 HydrophobicContact CG2-CD1 4.34Å; T769-I779 HydrophobicContact CG2-CG1 3.93Å; T769-I779 HydrophobicContact CG2-CG2 3.8Å; L772-I779 HydrophobicContact CB-CD1 4.37Å; I773-I779 HydrophobicContact CD1-CB 4.24Å; I773-I779 HydrophobicContact CD1-CG1 3.84Å; I773-I779 HydrophobicContact CG1-CB 4.19Å; I773-I779 HydrophobicContact CG1-CG1 3.38Å; I779-M781 HydrophobicContact CB-CE 3.94Å; I779-M781 HydrophobicContact CG2-CE 3.68Å
780F92.8Very high88.5Confident2 Ų231 Ų311%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-84.7126.8168.8-68.7-80.4000110.2I556 T557 M558 F688 L691 Y699 T700 V701 F711 L753 M757 I803I556-F780 HydrophobicContact CG2-CB 3.85Å; I556-F780 HydrophobicContact CG2-CD1 3.74Å; I556-F780 HydrophobicContact CG2-CG 4.25Å; T557-F780 WeakPolarHBondContact O-CA 3.49Å; M558-F780 HydrophobicContact CG-CD1 3.65Å; M558-F780 HydrophobicContact CG-CE1 3.26Å; M558-F780 HydrophobicContact CG-CZ 3.98Å; M558-F780 HydrophobicContact SD-CE1 3.83Å; M558-F780 HydrophobicContact SD-CZ 4.18Å; F688-F780 AromaticContact CD2-CE1 3.9Å; F688-F780 HydrophobicContact CD2-CE1 3.9Å; F688-F780 HydrophobicContact CD2-CZ 4.07Å; F688-F780 AromaticContact CE2-CE1 3.82Å; F688-F780 HydrophobicContact CE2-CE1 3.82Å; F688-F780 AromaticContact CE2-CZ 3.81Å; F688-F780 HydrophobicContact CE2-CZ 3.81Å; L691-F780 HydrophobicContact CD2-CE2 4.38Å; L691-F780 HydrophobicContact CD2-CZ 3.88Å; Y699-F780 AromaticContact CD2-CE2 3.94Å; Y699-F780 HydrophobicContact CD2-CE2 3.94Å; Y699-F780 HydrophobicContact CG-CE2 4.15Å; T700-F780 PolarHBondContact O-N 2.96Å; V701-F780 HydrophobicContact CG2-CB 3.76Å; V701-F780 HydrophobicContact CG2-CD2 4.18Å; V701-F780 HydrophobicContact CG2-CG 4.4Å; F711-F780 HydrophobicContact CE2-CB 3.87Å; F711-F780 HydrophobicContact CE2-CD1 4.37Å; F711-F780 HydrophobicContact CE2-CD2 4.34Å; F711-F780 AromaticContact CE2-CG 3.96Å; F711-F780 HydrophobicContact CE2-CG 3.96Å; F711-F780 HydrophobicContact CZ-CB 4.24Å; F711-F780 AromaticContact CZ-CD1 3.87Å; F711-F780 HydrophobicContact CZ-CD1 3.87Å; F711-F780 HydrophobicContact CZ-CD2 4.34Å; F711-F780 HydrophobicContact CZ-CE1 4.26Å; F711-F780 AromaticContact CZ-CG 3.9Å; F711-F780 HydrophobicContact CZ-CG 3.9Å; L753-F780 HydrophobicContact CD1-CE2 4.01Å; L753-F780 HydrophobicContact CD1-CZ 3.96Å; L753-F780 HydrophobicContact CD2-CE2 4.02Å; L753-F780 HydrophobicContact CD2-CZ 4.01Å; L753-F780 HydrophobicContact CG-CE2 4.38Å; M757-F780 HydrophobicContact SD-CD2 4.18Å; M757-F780 HydrophobicContact SD-CE2 4.43Å; F780-I803 HydrophobicContact CD1-CD1 4.2Å; F780-I803 HydrophobicContact CE1-CD1 3.78Å
781M90.5Very high88.2Confident16 Ų1630.5 Ų30.58%0.07916%0.157CC..EExtended strand (participates in β ladder)trans-148.1158.1178.263.5-175.370.300111.1I556 T557 V559 I773 I779 A786 Y789I556-M781 CarbonylContact C-O 3.49Å; I556-M781 WeakPolarHBondContact CA-O 3.38Å; T557-M781 PolarHBondContact N-O 2.76Å; T557-M781 PolarHBondContact O-N 3.23Å; V559-M781 HydrophobicContact CB-CE 3.69Å; V559-M781 HydrophobicContact CB-SD 4.08Å; V559-M781 HydrophobicContact CG1-CE 4.19Å; V559-M781 HydrophobicContact CG2-CE 3.81Å; V559-M781 HydrophobicContact CG2-CG 3.78Å; V559-M781 HydrophobicContact CG2-SD 3.5Å; V559-M781 VanDerWaalsContact CG2-SD 3.5Å; I773-M781 HydrophobicContact CD1-CE 4.35Å; I779-M781 HydrophobicContact CB-CE 3.94Å; I779-M781 HydrophobicContact CG2-CE 3.68Å; M781-A786 HydrophobicContact CG-CB 3.69Å; M781-A786 WeakPolarHBondContact SD-CA 3.33Å; M781-A786 HydrophobicContact SD-CB 3.66Å; M781-Y789 HydrophobicContact SD-CD2 4.44Å
782E91.4Very high87.9Confident4 Ų427.2 Ų27.22%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-58.7139.1172.8-78.7178.517800111.8V554 G555 S706 E707 K785 A786 W806 Y808V554-E782 HydrophobicContact CG1-CB 4.4Å; V554-E782 HydrophobicContact CG1-CG 4.31Å; G555-E782 CarbonylContact O-C 3.53Å; G555-E782 WeakPolarHBondContact O-CA 3.46Å; S706-E782 PolarHBondContact OG-OE1 3.39Å; E707-E782 HydrophobicContact CG-CG 4.09Å; E707-E782 WeakPolarHBondContact OE1-CG 3.36Å; E707-E782 PolarHBondContact OE1-N 3.31Å; E782-K785 HydrophobicContact CB-CB 4.35Å; E782-K785 CarbonylContact O-C 3.58Å; E782-K785 WeakPolarHBondContact O-CA 3.49Å; E782-K785 WeakPolarHBondContact O-CB 3.45Å; E782-K785 PolarHBondContact O-N 2.99Å; E782-A786 PolarHBondContact O-N 2.94Å; E782-W806 HydrophobicContact CG-CZ2 3.89Å; E782-Y808 PolarHBondContact OE2-OH 3.42Å
783T90.3Very high87.4Confident8 Ų829.3 Ų29.35%0.04916%0.155CC..Hα-helixtrans-56.2-46.9-173.4-55.20000112.9G555 K785 A786 D787G555-T783 WeakPolarHBondContact O-CB 3.46Å; G555-T783 PolarHBondContact O-N 3.18Å; G555-T783 PolarHBondContact O-OG1 2.94Å; T783-K785 PolarHBondContact O-N 3.48Å; T783-A786 WeakPolarHBondContact O-CB 3.33Å; T783-A786 PolarHBondContact O-N 3.5Å; T783-D787 PolarHBondContact O-N 2.96Å
784P90Very high86.9Confident0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-62.2-35.4176.9-19.733.2000112Y551 V554 Y788 Y808 W843Y551-P784 HydrophobicContact CD1-CG 4.45Å; Y551-P784 HydrophobicContact CE1-CB 4.47Å; Y551-P784 HydrophobicContact CE1-CG 3.6Å; V554-P784 HydrophobicContact CG1-CG 4.14Å; V554-P784 HydrophobicContact CG2-CG 4.21Å; P784-Y788 WeakPolarHBondContact O-CB 3.35Å; P784-Y788 PolarHBondContact O-N 3.27Å; P784-Y788 VanDerWaalsContact O-N 3.15Å; P784-Y808 HydrophobicContact CG-CE2 4.06Å; P784-W843 HydrophobicContact CB-CZ2 3.82Å; P784-W843 PolarHBondContact O-NE1 3.46Å
785K89.7Confident86.7Confident14 Ų1434.1 Ų34.16%0.06118%0.179CC..Hα-helixtrans-70-41.1177-168.2159.1-172.9159.10111.6D465 E782 T783 Y788 Y789D465-K785 IonicContact OD1-NZ 2.73Å; D465-K785 PolarHBondContact OD1-NZ 3.41Å; D465-K785 IonicContact OD2-NZ 2.73Å; E782-K785 HydrophobicContact CB-CB 4.35Å; E782-K785 CarbonylContact O-C 3.58Å; E782-K785 WeakPolarHBondContact O-CA 3.49Å; E782-K785 WeakPolarHBondContact O-CB 3.45Å; E782-K785 PolarHBondContact O-N 2.99Å; T783-K785 PolarHBondContact O-N 3.48Å; K785-Y788 PolarHBondContact O-N 2.88Å; K785-Y789 HydrophobicContact CD-CE2 4.26Å; K785-Y789 HydrophobicContact CG-CD2 3.99Å; K785-Y789 HydrophobicContact CG-CE2 3.53Å; K785-Y789 WeakPolarHBondContact O-CD2 3.37Å; K785-Y789 PolarHBondContact O-N 3.09Å
786A89.5Confident86.6Confident0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-57.7-53.7171.700000112.2T557 V559 M781 E782 T783 Y788 Y789 I790T557-A786 HydrophobicContact CG2-CB 3.43Å; T557-A786 VanDerWaalsContact CG2-CB 3.43Å; V559-A786 HydrophobicContact CG2-CB 3.61Å; M781-A786 HydrophobicContact CG-CB 3.69Å; M781-A786 WeakPolarHBondContact SD-CA 3.33Å; M781-A786 HydrophobicContact SD-CB 3.66Å; E782-A786 PolarHBondContact O-N 2.94Å; T783-A786 WeakPolarHBondContact O-CB 3.33Å; T783-A786 PolarHBondContact O-N 3.5Å; A786-Y788 PolarHBondContact O-N 3.44Å; A786-Y789 PolarHBondContact O-N 2.99Å; A786-Y789 VanDerWaalsContact O-N 3.09Å; A786-I790 HydrophobicContact CB-CD1 4.34Å; A786-I790 WeakPolarHBondContact O-CB 3.22Å; A786-I790 VanDerWaalsContact O-CG1 3.26Å; A786-I790 WeakPolarHBondContact O-CG1 3.32Å; A786-I790 PolarHBondContact O-N 3.29Å
787D87.5Confident86.6Confident37 Ų3730.7 Ų30.720%0.19815%0.149CC..Hα-helixtrans-60.3-35.7-175.9-70.4-22.3000110.8T783 A791 R798T783-D787 PolarHBondContact O-N 2.96Å; D787-A791 VanDerWaalsContact O-CB 3.3Å; D787-A791 WeakPolarHBondContact O-CB 3.26Å; D787-A791 PolarHBondContact O-N 3.32Å; D787-R798 IonicContact OD1-CZ 2.85Å; D787-R798 IonicContact OD1-NH1 3.82Å; D787-R798 PolarHBondContact OD1-NH1 3.38Å; D787-R798 IonicContact OD2-NH1 3.17Å
788Y87.8Confident86.3Confident47 Ų4735.3 Ų35.318%0.18417%0.167CC..Hα-helixtrans-64.9-45.8174175.2-102.6000113.1P466 P467 P784 K785 A786 A791 N792P466-Y788 HydrophobicContact CB-CE1 4.22Å; P467-Y788 HydrophobicContact CB-CD1 4.37Å; P467-Y788 HydrophobicContact CB-CD2 3.62Å; P467-Y788 HydrophobicContact CB-CE2 3.84Å; P467-Y788 HydrophobicContact CB-CG 3.9Å; P467-Y788 HydrophobicContact CG-CD1 4.37Å; P467-Y788 HydrophobicContact CG-CD2 4.03Å; P467-Y788 HydrophobicContact CG-CG 3.85Å; P784-Y788 WeakPolarHBondContact O-CB 3.35Å; P784-Y788 PolarHBondContact O-N 3.27Å; P784-Y788 VanDerWaalsContact O-N 3.15Å; K785-Y788 PolarHBondContact O-N 2.88Å; A786-Y788 PolarHBondContact O-N 3.44Å; Y788-A791 PolarHBondContact O-N 2.97Å; Y788-N792 WeakPolarHBondContact CE1-ND2 3.47Å; Y788-N792 VanDerWaalsContact CZ-ND2 3.26Å; Y788-N792 PolarHBondContact O-N 2.95Å; Y788-N792 PolarHBondContact O-ND2 2.9Å
789Y86Confident85.7Confident30 Ų3035.8 Ų35.812%0.11817%0.168CC..Hα-helixtrans-69.8-38.9178.3-71.5-59.2000112.4H766 M781 K785 A786 A791 N792 E793H766-Y789 AromaticContact CE1-CD1 3.58Å; H766-Y789 AromaticContact CE1-CE1 3.04Å; H766-Y789 WeakPolarHBondContact CE1-CE1 3.28Å; H766-Y789 AromaticContact CE1-CE2 3.94Å; H766-Y789 AromaticContact CE1-CZ 3.24Å; H766-Y789 PolarHBondContact CE1-OH 3.29Å; H766-Y789 AromaticContact ND1-CE1 3.87Å; H766-Y789 AromaticContact ND1-CZ 3.61Å; H766-Y789 PolarHBondContact ND1-OH 3.3Å; H766-Y789 AromaticContact NE2-CD1 3.93Å; H766-Y789 AromaticContact NE2-CE1 3.29Å; H766-Y789 VanDerWaalsContact NE2-CE1 3.29Å; H766-Y789 WeakPolarHBondContact NE2-CE1 3.19Å; H766-Y789 AromaticContact NE2-CZ 3.84Å; M781-Y789 HydrophobicContact SD-CD2 4.44Å; K785-Y789 HydrophobicContact CD-CE2 4.26Å; K785-Y789 HydrophobicContact CG-CD2 3.99Å; K785-Y789 HydrophobicContact CG-CE2 3.53Å; K785-Y789 WeakPolarHBondContact O-CD2 3.37Å; K785-Y789 PolarHBondContact O-N 3.09Å; A786-Y789 PolarHBondContact O-N 2.99Å; A786-Y789 VanDerWaalsContact O-N 3.09Å; Y789-A791 VanDerWaalsContact C-N 3.3Å; Y789-A791 PolarHBondContact O-N 3.43Å; Y789-N792 PolarHBondContact O-N 3.36Å; Y789-N792 VanDerWaalsContact O-N 3.13Å; Y789-E793 PolarHBondContact O-N 3.24Å
790I84.7Confident84.8Confident37 Ų3737 Ų3719%0.1918%0.182CC..Hα-helixtrans-61.4-40.2174.8-67.8164.7000110.7V559 A786 N792 E793 L796 R798V559-I790 HydrophobicContact CG2-CD1 4.43Å; A786-I790 HydrophobicContact CB-CD1 4.34Å; A786-I790 WeakPolarHBondContact O-CB 3.22Å; A786-I790 VanDerWaalsContact O-CG1 3.26Å; A786-I790 WeakPolarHBondContact O-CG1 3.32Å; A786-I790 PolarHBondContact O-N 3.29Å; I790-N792 VanDerWaalsContact C-N 3.25Å; I790-N792 PolarHBondContact O-N 3.43Å; I790-E793 CarbonylContact O-C 3.55Å; I790-E793 PolarHBondContact O-N 3.15Å; I790-L796 HydrophobicContact CG1-CB 3.9Å; I790-R798 HydrophobicContact CD1-CB 3.79Å; I790-R798 HydrophobicContact CD1-CG 4.38Å
791A81.8Confident84.3Confident9 Ų943.7 Ų43.77%0.07422%0.218CC..Hα-helixtrans-65.3-28.3176.700000113.1D787 Y788 Y789 N846 T847D787-A791 VanDerWaalsContact O-CB 3.3Å; D787-A791 WeakPolarHBondContact O-CB 3.26Å; D787-A791 PolarHBondContact O-N 3.32Å; Y788-A791 PolarHBondContact O-N 2.97Å; Y789-A791 VanDerWaalsContact C-N 3.3Å; Y789-A791 PolarHBondContact O-N 3.43Å; A791-N846 WeakPolarHBondContact O-CB 3.24Å; A791-T847 HydrophobicContact CB-CG2 4.4Å
792N81.8Confident84Confident67 Ų6748.5 Ų48.536%0.35824%0.235SC..Hα-helixtrans-88.7-30.5177.9-70-28.7000112.9Y788 Y789 I790 N846Y788-N792 WeakPolarHBondContact CE1-ND2 3.47Å; Y788-N792 VanDerWaalsContact CZ-ND2 3.26Å; Y788-N792 PolarHBondContact O-N 2.95Å; Y788-N792 PolarHBondContact O-ND2 2.9Å; Y789-N792 PolarHBondContact O-N 3.36Å; Y789-N792 VanDerWaalsContact O-N 3.13Å; I790-N792 VanDerWaalsContact C-N 3.25Å; I790-N792 PolarHBondContact O-N 3.43Å; N792-N846 PolarHBondContact OD1-ND2 3.47Å
793E78.6Confident83.7Confident70 Ų7048.9 Ų48.933%0.32724%0.237SC..  trans-122.5102.1-177.2-66.9-166.7-154.300112M770 Y789 I790 K795 L796M770-E793 VanDerWaalsContact CE-OE1 3.27Å; M770-E793 WeakPolarHBondContact CE-OE1 3.49Å; M770-E793 WeakPolarHBondContact CE-OE2 3.44Å; Y789-E793 PolarHBondContact O-N 3.24Å; I790-E793 CarbonylContact O-C 3.55Å; I790-E793 PolarHBondContact O-N 3.15Å; E793-K795 PolarHBondContact O-N 2.95Å; E793-L796 HydrophobicContact CB-CD1 3.85Å; E793-L796 HydrophobicContact CB-CG 3.95Å; E793-L796 PolarHBondContact O-N 3.43Å
794C76.3Confident83.3Confident62 Ų6250.1 Ų50.142%0.41925%0.252SS..THydrogen-bonded Turntrans-65.3-9.5-175.5-51.50000115.3L796 C850C794-L796 VanDerWaalsContact C-N 3.32Å; C794-C850 WeakPolarHBondContact CA-SG 3.3Å; C794-C850 HydrophobicContact CB-CB 3.82Å; C794-C850 WeakPolarHBondContact CB-SG 3.36Å; C794-C850 WeakPolarHBondContact SG-CA 3.46Å; C794-C850 WeakPolarHBondContact SG-CB 3.44Å; C794-C850 CovalentContact SG-SG 2.04Å; C794-C850 PolarHBondContact SG-SG 3.49Å
795K79.7Confident83Confident121 Ų12154.4 Ų54.453%0.52628%0.281SS..THydrogen-bonded Turntrans-85.8-4.9179.6-64.3-172178.9-171.50113.3K561 I562 E793K561-K795 CarbonylContact C-O 3.56Å; K561-K795 WeakPolarHBondContact CA-O 3.32Å; I562-K795 PolarHBondContact N-O 3.47Å; E793-K795 PolarHBondContact O-N 2.95Å
796L84.7Confident82.8Confident7 Ų755.2 Ų55.24%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-98.1143.1-177-56.6-177.1000110.8V559 M770 I773 I790 E793 C794V559-L796 HydrophobicContact CG1-CB 4.17Å; V559-L796 HydrophobicContact CG1-CD1 4.43Å; M770-L796 HydrophobicContact CE-CD1 4.02Å; M770-L796 HydrophobicContact CE-CD2 4.25Å; I773-L796 HydrophobicContact CG2-CD2 3.46Å; I773-L796 VanDerWaalsContact CG2-CD2 3.46Å; I790-L796 HydrophobicContact CG1-CB 3.9Å; E793-L796 HydrophobicContact CB-CD1 3.85Å; E793-L796 HydrophobicContact CB-CG 3.95Å; E793-L796 PolarHBondContact O-N 3.43Å; C794-L796 VanDerWaalsContact C-N 3.32Å
797K82.7Confident82.7Confident62 Ų6260.2 Ų60.227%0.2730%0.304SS..EExtended strand (participates in β ladder)trans-134.6141.2172.9179.2171.3165.8-167.50109.9S560 I562 E684 F799S560-K797 PolarHBondContact N-O 3.33Å; S560-K797 VanDerWaalsContact N-O 3.12Å; S560-K797 PolarHBondContact O-N 2.9Å; I562-K797 HydrophobicContact CD1-CB 4.34Å; I562-K797 HydrophobicContact CG1-CB 3.64Å; I562-K797 HydrophobicContact CG1-CD 4.38Å; E684-K797 IonicContact OE1-NZ 2.72Å; E684-K797 PolarHBondContact OE1-NZ 2.89Å; E684-K797 IonicContact OE2-NZ 3.98Å; E684-K797 PolarHBondContact OE2-NZ 2.89Å; K797-F799 HydrophobicContact CB-CE2 3.69Å; K797-F799 HydrophobicContact CB-CZ 3.74Å; K797-F799 HydrophobicContact CD-CD1 4.48Å; K797-F799 HydrophobicContact CD-CE1 3.58Å; K797-F799 HydrophobicContact CD-CE2 4.22Å; K797-F799 HydrophobicContact CD-CZ 3.43Å; K797-F799 VanDerWaalsContact CD-CZ 3.43Å; K797-F799 HydrophobicContact CG-CD1 4.4Å; K797-F799 HydrophobicContact CG-CD2 4.39Å; K797-F799 HydrophobicContact CG-CE1 3.85Å; K797-F799 HydrophobicContact CG-CE2 3.77Å; K797-F799 HydrophobicContact CG-CZ 3.51Å; K797-F799 WeakPolarHBondContact O-CD2 3.43Å; K797-F799 WeakPolarHBondContact O-CE2 3.33Å
798R84.9Confident82.9Confident136 Ų13658.5 Ų58.551%0.51330%0.295SS..EExtended strand (participates in β ladder)trans-85.5141.9170.269.5-178-171.2-1712.3110.1M558 D787 I790M558-R798 CarbonylContact O-C 3.47Å; M558-R798 WeakPolarHBondContact O-CA 3.3Å; D787-R798 IonicContact OD1-CZ 2.85Å; D787-R798 IonicContact OD1-NH1 3.82Å; D787-R798 PolarHBondContact OD1-NH1 3.38Å; D787-R798 IonicContact OD2-NH1 3.17Å; I790-R798 HydrophobicContact CD1-CB 3.79Å; I790-R798 HydrophobicContact CD1-CG 4.38Å
799F77.5Confident83.1Confident19 Ų1956.3 Ų56.38%0.08329%0.286CS..EExtended strand (participates in β ladder)trans-129.9149178.2-60.9-84.4000111.5M558 S560 E684 I685 N686 K797M558-F799 WeakPolarHBondContact CE-O 3.45Å; M558-F799 PolarHBondContact O-N 3.35Å; S560-F799 WeakPolarHBondContact OG-CE2 3.32Å; E684-F799 HydrophobicContact CB-CE1 4.29Å; I685-F799 WeakPolarHBondContact O-CB 3.29Å; N686-F799 WeakPolarHBondContact OD1-CD1 3.36Å; K797-F799 HydrophobicContact CB-CE2 3.69Å; K797-F799 HydrophobicContact CB-CZ 3.74Å; K797-F799 HydrophobicContact CD-CD1 4.48Å; K797-F799 HydrophobicContact CD-CE1 3.58Å; K797-F799 HydrophobicContact CD-CE2 4.22Å; K797-F799 HydrophobicContact CD-CZ 3.43Å; K797-F799 VanDerWaalsContact CD-CZ 3.43Å; K797-F799 HydrophobicContact CG-CD1 4.4Å; K797-F799 HydrophobicContact CG-CD2 4.39Å; K797-F799 HydrophobicContact CG-CE1 3.85Å; K797-F799 HydrophobicContact CG-CE2 3.77Å; K797-F799 HydrophobicContact CG-CZ 3.51Å; K797-F799 WeakPolarHBondContact O-CD2 3.43Å; K797-F799 WeakPolarHBondContact O-CE2 3.33Å
800G72.7Confident83.4Confident30 Ų3054.9 Ų54.931%0.30928%0.28SS..EExtended strand (participates in β ladder)trans73.3176.7177.800000115.9N686N686-G800 WeakPolarHBondContact O-CA 3.47Å; N686-G800 PolarHBondContact O-N 3.32Å; N686-G800 VanDerWaalsContact O-N 3.09Å
801N81.5Confident83.9Confident142 Ų14253.1 Ų53.176%0.75927%0.271SS*.EExtended strand (participates in β ladder)trans-78.9152.9175.6-65.5-18.2000110.1I803N801-I803 PolarHBondContact O-N 3.4Å
802R84.1Confident84.3Confident116 Ų11652.7 Ų52.744%0.43827%0.268SS..EExtended strand (participates in β ladder)trans-57.5135.4171.362.9174.967.11670.9111S553 I556S553-R802 PolarHBondContact OG-NH1 2.95Å; I556-R802 CarbonylContact O-C 3.53Å; I556-R802 WeakPolarHBondContact O-CA 3.31Å
803I86.1Confident84.6Confident12 Ų1250.9 Ų50.96%0.06226%0.258CS..EExtended strand (participates in β ladder)trans-97.3112.1176.8-55.4170.3000107.3I556 F688 F710 Y750 F780 N801I556-I803 HydrophobicContact CB-CB 4.27Å; I556-I803 HydrophobicContact CG2-CD1 4.48Å; I556-I803 PolarHBondContact N-O 3.37Å; I556-I803 PolarHBondContact O-N 3.48Å; F688-I803 HydrophobicContact CD1-CD1 4.48Å; F688-I803 HydrophobicContact CD2-CD1 3.4Å; F688-I803 VanDerWaalsContact CD2-CD1 3.4Å; F688-I803 HydrophobicContact CD2-CG1 4.46Å; F688-I803 HydrophobicContact CE2-CD1 3.52Å; F688-I803 HydrophobicContact CG-CD1 3.91Å; F688-I803 HydrophobicContact CZ-CD1 4.11Å; F710-I803 HydrophobicContact CE1-CG2 4.04Å; F710-I803 HydrophobicContact CZ-CG2 4.18Å; Y750-I803 HydrophobicContact CE1-CG2 4.15Å; F780-I803 HydrophobicContact CD1-CD1 4.2Å; F780-I803 HydrophobicContact CE1-CD1 3.78Å; N801-I803 PolarHBondContact O-N 3.4Å
804G82.9Confident84.6Confident35 Ų3549.6 Ų49.636%0.36126%0.256SS..EExtended strand (participates in β ladder)trans76.1166.4-173.700000113.3G555G555-G804 WeakPolarHBondContact CA-O 3.36Å
805S82.2Confident84.5Confident89 Ų8953.6 Ų53.662%0.62226%0.262SS*.EExtended strand (participates in β ladder)trans-142.4123.1178.157.70000109.5V554V554-S805 CarbonylContact O-C 3.44Å; V554-S805 VanDerWaalsContact O-CA 3.25Å; V554-S805 WeakPolarHBondContact O-CA 3.32Å
806W85.1Confident84.4Confident31 Ų3148.2 Ų48.212%0.11724%0.239CC..EExtended strand (participates in β ladder)trans-147.3177.5174.159.188.7000111.3V535 V554 I556 F710 E782V535-W806 HydrophobicContact CG1-CB 3.66Å; V535-W806 HydrophobicContact CG1-CG 3.79Å; V535-W806 HydrophobicContact CG2-CG 4.17Å; V554-W806 HydrophobicContact CB-CD2 4.47Å; V554-W806 HydrophobicContact CB-CG 4.18Å; V554-W806 VanDerWaalsContact CB-O 3.31Å; V554-W806 WeakPolarHBondContact CB-O 3.37Å; V554-W806 HydrophobicContact CG1-CD2 4.47Å; V554-W806 HydrophobicContact CG1-CZ2 4.22Å; V554-W806 PolarHBondContact N-O 3.02Å; V554-W806 PolarHBondContact O-N 3.38Å; I556-W806 HydrophobicContact CB-CH2 4.35Å; I556-W806 HydrophobicContact CD1-CH2 3.7Å; I556-W806 HydrophobicContact CD1-CZ2 4.47Å; I556-W806 HydrophobicContact CG1-CH2 3.64Å; I556-W806 HydrophobicContact CG1-CZ2 4.19Å; F710-W806 HydrophobicContact CD2-CH2 4.41Å; F710-W806 HydrophobicContact CD2-CZ3 4.22Å; F710-W806 HydrophobicContact CE2-CH2 4.43Å; F710-W806 AromaticContact CE2-CZ3 3.9Å; F710-W806 HydrophobicContact CE2-CZ3 3.9Å; F710-W806 HydrophobicContact CZ-CZ3 4.37Å; E782-W806 HydrophobicContact CG-CZ2 3.89Å
807Y88.3Confident83.8Confident106 Ų10651.8 Ų51.842%0.41626%0.263SS..EExtended strand (participates in β ladder)trans-129.1145.2-167.3-56.7-84.2000110.3V535 P549 E552V535-Y807 WeakPolarHBondContact CA-O 3.45Å; P549-Y807 HydrophobicContact CB-CD1 4.27Å; P549-Y807 HydrophobicContact CB-CG 4.24Å; P549-Y807 HydrophobicContact CG-CD1 4.36Å; P549-Y807 HydrophobicContact CG-CG 4.47Å; E552-Y807 HydrophobicContact CB-CE1 4.34Å; E552-Y807 WeakPolarHBondContact O-CD1 3.45Å; E552-Y807 WeakPolarHBondContact O-CE1 3.38Å
808Y92Very high83.7Confident1 Ų149.9 Ų49.90%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-95.6135.7171.1-60.4-36.2000111.3Y468 P533 L534 V535 P549 Y550 Y551 V554 E782 P784Y468-Y808 AromaticContact CE1-CE2 3.73Å; Y468-Y808 HydrophobicContact CE1-CE2 3.73Å; Y468-Y808 PolarHBondContact OH-OH 3.31Å; P533-Y808 HydrophobicContact CB-CD1 4.05Å; P533-Y808 HydrophobicContact CB-CE1 3.48Å; P533-Y808 VanDerWaalsContact CB-CE1 3.48Å; P533-Y808 HydrophobicContact CB-CE2 4.11Å; L534-Y808 WeakPolarHBondContact O-CA 3.34Å; V535-Y808 HydrophobicContact CG2-CD1 4.36Å; V535-Y808 HydrophobicContact CG2-CE1 4.28Å; P549-Y808 CarbonylContact C-O 3.57Å; P549-Y808 WeakPolarHBondContact CA-O 3.21Å; Y550-Y808 PolarHBondContact N-O 3.09Å; Y551-Y808 HydrophobicContact CD1-CD2 4.2Å; Y551-Y808 HydrophobicContact CG-CD2 4.17Å; Y551-Y808 PolarHBondContact O-N 3.09Å; V554-Y808 HydrophobicContact CB-CE1 4.35Å; V554-Y808 HydrophobicContact CG1-CE1 3.9Å; V554-Y808 HydrophobicContact CG1-CE2 4.28Å; V554-Y808 VanDerWaalsContact CG1-OH 3.3Å; V554-Y808 WeakPolarHBondContact CG1-OH 3.5Å; V554-Y808 HydrophobicContact CG2-CD1 4.03Å; V554-Y808 HydrophobicContact CG2-CD2 3.79Å; V554-Y808 HydrophobicContact CG2-CE1 3.85Å; V554-Y808 HydrophobicContact CG2-CE2 3.58Å; V554-Y808 HydrophobicContact CG2-CG 4Å; E782-Y808 PolarHBondContact OE2-OH 3.42Å; P784-Y808 HydrophobicContact CG-CE2 4.06Å
809S91.4Very high83.4Confident0 Ų043.7 Ų43.70%023%0.233CC..  trans-136.1155.9179.9-73.50000109.9L534 T547 P549L534-S809 WeakPolarHBondContact CB-O 3.25Å; L534-S809 PolarHBondContact O-N 3.05Å; T547-S809 WeakPolarHBondContact O-CB 3.43Å; T547-S809 PolarHBondContact O-OG 3.37Å; P549-S809 WeakPolarHBondContact CA-OG 3.33Å
810M93.4Very high83.1Confident0 Ų046.2 Ų46.20%025%0.253CS..  trans-82.3147.3169.9-56.9177.7-177.300108.6V484 F485 I488 L531 F546 T547 Y550 F822V484-M810 HydrophobicContact CB-CE 4.16Å; V484-M810 HydrophobicContact CG1-CE 3.61Å; F485-M810 HydrophobicContact CB-CE 4.04Å; F485-M810 HydrophobicContact CD2-SD 4.34Å; I488-M810 HydrophobicContact CD1-CE 3.8Å; I488-M810 HydrophobicContact CD1-SD 4.05Å; L531-M810 HydrophobicContact CD2-CB 4.35Å; L531-M810 HydrophobicContact CD2-CE 4.28Å; L531-M810 HydrophobicContact CD2-CG 3.85Å; L531-M810 HydrophobicContact CD2-SD 3.84Å; F546-M810 WeakPolarHBondContact CA-O 3.34Å; T547-M810 HydrophobicContact CG2-CB 3.85Å; T547-M810 PolarHBondContact N-O 2.94Å; T547-M810 PolarHBondContact OG1-N 3Å; Y550-M810 HydrophobicContact CD1-CE 4.22Å; Y550-M810 HydrophobicContact CD1-CG 4.06Å; Y550-M810 HydrophobicContact CE1-CE 4.29Å; Y550-M810 HydrophobicContact CE1-CG 3.73Å; M810-F822 HydrophobicContact SD-CD1 4.21Å; M810-F822 HydrophobicContact SD-CE1 4.35Å
811I94Very high83.3Confident0 Ų045.6 Ų45.60%025%0.245CC..EExtended strand (participates in β ladder)trans-102.8139.817262.9178.4000109.9M518 I519 V522 I529 G530 L534 V544 D545 F546M518-I811 HydrophobicContact CG-CD1 4.13Å; M518-I811 HydrophobicContact SD-CD1 4.35Å; I519-I811 HydrophobicContact CG1-CD1 4.04Å; V522-I811 HydrophobicContact CB-CD1 4.13Å; V522-I811 HydrophobicContact CG1-CD1 4.45Å; V522-I811 HydrophobicContact CG1-CG1 4.38Å; V522-I811 HydrophobicContact CG2-CD1 3.85Å; V522-I811 HydrophobicContact CG2-CG1 4.12Å; I529-I811 CarbonylContact C-O 2.99Å; I529-I811 VanDerWaalsContact CA-O 3.27Å; I529-I811 WeakPolarHBondContact CA-O 3.45Å; I529-I811 WeakPolarHBondContact CG2-O 3.42Å; G530-I811 PolarHBondContact N-O 2.96Å; G530-I811 PolarHBondContact O-N 3.27Å; L534-I811 HydrophobicContact CB-CG2 4.49Å; L534-I811 HydrophobicContact CD1-CB 4.24Å; L534-I811 HydrophobicContact CD1-CD1 3.77Å; L534-I811 HydrophobicContact CD1-CG1 3.61Å; L534-I811 HydrophobicContact CD1-CG2 3.89Å; L534-I811 HydrophobicContact CD2-CD1 4.49Å; V544-I811 HydrophobicContact CG2-CB 4.37Å; V544-I811 HydrophobicContact CG2-CG2 4.11Å; D545-I811 CarbonylContact O-C 3.49Å; D545-I811 VanDerWaalsContact O-CA 3.29Å; D545-I811 WeakPolarHBondContact O-CA 2.93Å; F546-I811 HydrophobicContact CD1-CG2 3.55Å; F546-I811 HydrophobicContact CE1-CG2 3.27Å; F546-I811 HydrophobicContact CE2-CG2 4.39Å; F546-I811 HydrophobicContact CG-CG2 4.25Å; F546-I811 HydrophobicContact CZ-CG2 3.74Å
812L91.1Very high83.5Confident1 Ų138.9 Ų38.91%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-122.1164173.6-70.284.2000109.2V522 D528 I529 D545 T547 L818 F822V522-L812 WeakPolarHBondContact CG1-O 3.26Å; D528-L812 CarbonylContact O-C 3.45Å; D528-L812 WeakPolarHBondContact O-CA 3.49Å; I529-L812 HydrophobicContact CG1-CG 4.19Å; D545-L812 HydrophobicContact CB-CB 4.39Å; D545-L812 PolarHBondContact N-O 3.34Å; D545-L812 PolarHBondContact O-N 2.83Å; T547-L812 HydrophobicContact CG2-CD1 3.31Å; L812-L818 HydrophobicContact CD2-CB 3.79Å; L812-F822 HydrophobicContact CD2-CG 4.5Å
813I87.7Confident83.6Confident29 Ų2934.9 Ų34.915%0.14920%0.196CC..  trans-50.2146.3170.556.5173.2000110.9V522 K525 T527 D528 R815 S816V522-I813 HydrophobicContact CG1-CG2 4.31Å; K525-I813 HydrophobicContact CB-CG2 4.43Å; K525-I813 HydrophobicContact CG-CG2 4.09Å; T527-I813 WeakPolarHBondContact O-CG2 3.25Å; D528-I813 PolarHBondContact O-N 3.49Å; I813-R815 PolarHBondContact O-N 2.96Å; I813-S816 VanDerWaalsContact O-CB 3.3Å; I813-S816 WeakPolarHBondContact O-CB 3.42Å; I813-S816 PolarHBondContact O-N 3.19Å; I813-S816 VanDerWaalsContact O-N 3.14Å
814P79.1Confident83.1Confident43 Ų4339.6 Ų39.628%0.27922%0.218SC..THydrogen-bonded Turntrans-59.9132.7179.423.4-33.6000111.4I543I543-P814 WeakPolarHBondContact O-CB 3.42Å
815R73.9Confident83.2Confident146 Ų14639.3 Ų39.355%0.55121%0.208SC*.THydrogen-bonded Turntrans5742.9-173-53.6-177.5-172.7149.49.5113.6D545 I813D545-R815 PolarHBondContact OD1-N 2.69Å; D545-R815 VanDerWaalsContact OD1-N 3.09Å; D545-R815 WeakPolarHBondContact OD2-CA 3.5Å; D545-R815 PolarHBondContact OD2-N 3.33Å; I813-R815 PolarHBondContact O-N 2.96Å
816S76.6Confident83.4Confident7 Ų735 Ų355%0.04918%0.178CC..  trans-67.3132.8177.5-1780000111.5D545 I813 L818 T819D545-S816 PolarHBondContact OD2-N 2.99Å; I813-S816 VanDerWaalsContact O-CB 3.3Å; I813-S816 WeakPolarHBondContact O-CB 3.42Å; I813-S816 PolarHBondContact O-N 3.19Å; I813-S816 VanDerWaalsContact O-N 3.14Å; S816-L818 PolarHBondContact O-N 3.4Å; S816-L818 PolarHBondContact OG-N 3.16Å; S816-T819 WeakPolarHBondContact CB-OG1 3.38Å; S816-T819 PolarHBondContact O-N 3.03Å; S816-T819 PolarHBondContact O-OG1 3.25Å
817P72.5Confident83.4Confident82 Ų8239.9 Ų39.953%0.53220%0.197SC..THydrogen-bonded Turntrans-67.2-21.9172.329.1-34.2000112.2E453 T819E453-P817 WeakPolarHBondContact OE2-CG 3.39Å; P817-T819 VanDerWaalsContact C-N 3.35Å
818L80.5Confident83.1Confident22 Ų2236.8 Ų36.812%0.11519%0.191CC..Hα-helixtrans-76.7-19.4-178.5-64.6173.1000113.1I458 L812 S816 S820 A821 F822I458-L818 HydrophobicContact CD1-CD1 3.67Å; L812-L818 HydrophobicContact CD2-CB 3.79Å; S816-L818 PolarHBondContact O-N 3.4Å; S816-L818 PolarHBondContact OG-N 3.16Å; L818-S820 VanDerWaalsContact C-N 3.27Å; L818-S820 PolarHBondContact O-N 3.44Å; L818-A821 PolarHBondContact O-N 3.37Å; L818-A821 VanDerWaalsContact O-N 3.09Å; L818-F822 HydrophobicContact CB-CD2 3.92Å; L818-F822 HydrophobicContact CB-CE2 3.98Å; L818-F822 HydrophobicContact CD1-CE2 4.37Å; L818-F822 VanDerWaalsContact O-CD2 3.28Å; L818-F822 WeakPolarHBondContact O-CD2 3.47Å; L818-F822 PolarHBondContact O-N 3.15Å
819T78.6Confident82.9Confident6 Ų636.7 Ų36.74%0.03719%0.191CC..Hα-helixtrans-54.6-42.9-175.5-56.90000112.1S816 P817 F822 N823S816-T819 WeakPolarHBondContact CB-OG1 3.38Å; S816-T819 PolarHBondContact O-N 3.03Å; S816-T819 PolarHBondContact O-OG1 3.25Å; P817-T819 VanDerWaalsContact C-N 3.35Å; T819-F822 PolarHBondContact O-N 3.18Å; T819-N823 WeakPolarHBondContact O-CB 3.29Å; T819-N823 PolarHBondContact O-N 3.29Å; T819-N823 PolarHBondContact O-ND2 3.32Å; T819-N823 PolarHBondContact O-OD1 3.43Å
820S71.7Confident82.6Confident73 Ų7340.7 Ų40.751%0.5121%0.209SC..Hα-helixtrans-65.6-44.2178.5-59.30000112.5L818 N823 E824L818-S820 VanDerWaalsContact C-N 3.27Å; L818-S820 PolarHBondContact O-N 3.44Å; S820-N823 PolarHBondContact O-N 2.85Å; S820-E824 PolarHBondContact O-N 2.8Å
821A77.6Confident81.9Confident17 Ų1744.9 Ų44.914%0.1424%0.244CC..Hα-helixtrans-65.8-41.4178.300000111.5L492 L818 E824 M825L492-A821 HydrophobicContact CD1-CB 4.23Å; L492-A821 HydrophobicContact CD2-CB 4.18Å; L818-A821 PolarHBondContact O-N 3.37Å; L818-A821 VanDerWaalsContact O-N 3.09Å; A821-E824 PolarHBondContact O-N 2.7Å; A821-M825 WeakPolarHBondContact O-CG 3.27Å; A821-M825 PolarHBondContact O-N 2.84Å
822F85.8Confident81.5Confident0 Ų049.1 Ų49.10%027%0.266CS..Hα-helixtrans-62.7-43.5175.4-88-117.8000111.6F485 I488 L492 I494 I529 T547 M810 L812 L818 T819 E824 M825 I826F485-F822 AromaticContact CD2-CE1 3.9Å; F485-F822 HydrophobicContact CD2-CE1 3.9Å; F485-F822 HydrophobicContact CD2-CZ 4.41Å; F485-F822 AromaticContact CE2-CE1 3.76Å; F485-F822 HydrophobicContact CE2-CE1 3.76Å; F485-F822 AromaticContact CE2-CZ 3.83Å; F485-F822 HydrophobicContact CE2-CZ 3.83Å; I488-F822 HydrophobicContact CD1-CD1 4.3Å; I488-F822 HydrophobicContact CG2-CD1 3.89Å; I488-F822 HydrophobicContact CG2-CD2 4.32Å; I488-F822 HydrophobicContact CG2-CE1 3.9Å; I488-F822 HydrophobicContact CG2-CE2 4.34Å; I488-F822 HydrophobicContact CG2-CG 4.1Å; I488-F822 HydrophobicContact CG2-CZ 4.13Å; L492-F822 HydrophobicContact CD1-CD2 3.86Å; L492-F822 HydrophobicContact CD1-CE2 3.83Å; I494-F822 HydrophobicContact CD1-CE2 4.06Å; I494-F822 HydrophobicContact CD1-CZ 3.88Å; I529-F822 HydrophobicContact CD1-CE1 3.81Å; I529-F822 HydrophobicContact CD1-CE2 4.31Å; I529-F822 HydrophobicContact CD1-CZ 3.47Å; I529-F822 VanDerWaalsContact CD1-CZ 3.47Å; T547-F822 HydrophobicContact CG2-CB 3.99Å; T547-F822 HydrophobicContact CG2-CD1 4.39Å; M810-F822 HydrophobicContact SD-CD1 4.21Å; M810-F822 HydrophobicContact SD-CE1 4.35Å; L812-F822 HydrophobicContact CD2-CG 4.5Å; L818-F822 HydrophobicContact CB-CD2 3.92Å; L818-F822 HydrophobicContact CB-CE2 3.98Å; L818-F822 HydrophobicContact CD1-CE2 4.37Å; L818-F822 VanDerWaalsContact O-CD2 3.28Å; L818-F822 WeakPolarHBondContact O-CD2 3.47Å; L818-F822 PolarHBondContact O-N 3.15Å; T819-F822 PolarHBondContact O-N 3.18Å; F822-E824 PolarHBondContact O-N 3.08Å; F822-M825 PolarHBondContact O-N 3.42Å; F822-I826 VanDerWaalsContact O-CG1 3.3Å; F822-I826 WeakPolarHBondContact O-CG1 3.5Å; F822-I826 PolarHBondContact O-N 2.77Å
823N84.2Confident81.3Confident32 Ų3256.3 Ų56.317%0.17130%0.295CS..Hα-helixtrans-61.4-44.6177.4-68.9-16.3000111.8T547 V548 T819 S820 M825 I826 Y827T547-N823 WeakPolarHBondContact CA-OD1 3.25Å; T547-N823 WeakPolarHBondContact CB-OD1 3.49Å; V548-N823 HydrophobicContact CG1-CB 4.02Å; V548-N823 HydrophobicContact CG2-CB 4.1Å; V548-N823 PolarHBondContact N-OD1 3.32Å; T819-N823 WeakPolarHBondContact O-CB 3.29Å; T819-N823 PolarHBondContact O-N 3.29Å; T819-N823 PolarHBondContact O-ND2 3.32Å; T819-N823 PolarHBondContact O-OD1 3.43Å; S820-N823 PolarHBondContact O-N 2.85Å; N823-M825 VanDerWaalsContact C-N 3.32Å; N823-M825 PolarHBondContact O-N 3.49Å; N823-I826 PolarHBondContact O-N 2.9Å; N823-Y827 HydrophobicContact CB-CE2 4.48Å; N823-Y827 WeakPolarHBondContact O-CD2 3.31Å; N823-Y827 PolarHBondContact O-N 3.39Å
824E76.9Confident81.5Confident112 Ų11255.7 Ų55.752%0.52329%0.292SS..Hα-helixtrans-60-42.3175.3-172.4176.4-173.700111.8S820 A821 F822 Y827 S828S820-E824 PolarHBondContact O-N 2.8Å; A821-E824 PolarHBondContact O-N 2.7Å; F822-E824 PolarHBondContact O-N 3.08Å; E824-Y827 PolarHBondContact O-N 2.84Å; E824-S828 WeakPolarHBondContact O-CB 3.43Å; E824-S828 PolarHBondContact O-N 2.97Å
825M84.2Confident82.1Confident28 Ų2854.3 Ų54.314%0.13828%0.282CS..Hα-helixtrans-67-39.2177.1-67.4-53.899.800112.6I488 R491 L492 A821 F822 N823 S828 L829I488-M825 HydrophobicContact CB-CB 4.39Å; I488-M825 HydrophobicContact CG1-CB 4.08Å; I488-M825 HydrophobicContact CG2-CB 3.92Å; I488-M825 HydrophobicContact CG2-CG 4.17Å; R491-M825 HydrophobicContact CB-SD 3.64Å; L492-M825 HydrophobicContact CD1-CG 4.03Å; L492-M825 HydrophobicContact CD2-CE 4.33Å; L492-M825 HydrophobicContact CD2-CG 3.65Å; L492-M825 HydrophobicContact CD2-SD 3.98Å; L492-M825 HydrophobicContact CG-CG 3.69Å; L492-M825 HydrophobicContact CG-SD 4.34Å; A821-M825 WeakPolarHBondContact O-CG 3.27Å; A821-M825 PolarHBondContact O-N 2.84Å; F822-M825 PolarHBondContact O-N 3.42Å; N823-M825 VanDerWaalsContact C-N 3.32Å; N823-M825 PolarHBondContact O-N 3.49Å; M825-S828 WeakPolarHBondContact O-CB 3.39Å; M825-S828 PolarHBondContact O-N 3.2Å; M825-L829 VanDerWaalsContact O-CG 3.25Å; M825-L829 WeakPolarHBondContact O-CG 3.33Å; M825-L829 PolarHBondContact O-N 3.41Å
826I87.8Confident82.8Confident0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-62.5-46.2176.6-67.5163.6000110.3I488 T547 V548 F822 N823 S828 L829 E830 L835I488-I826 HydrophobicContact CD1-CD1 4.28Å; I488-I826 HydrophobicContact CD1-CG1 3.65Å; T547-I826 HydrophobicContact CG2-CD1 4.24Å; V548-I826 HydrophobicContact CG2-CB 3.74Å; V548-I826 HydrophobicContact CG2-CD1 3.85Å; V548-I826 HydrophobicContact CG2-CG1 4.41Å; V548-I826 HydrophobicContact CG2-CG2 3.7Å; F822-I826 VanDerWaalsContact O-CG1 3.3Å; F822-I826 WeakPolarHBondContact O-CG1 3.5Å; F822-I826 PolarHBondContact O-N 2.77Å; N823-I826 PolarHBondContact O-N 2.9Å; I826-S828 VanDerWaalsContact C-N 3.28Å; I826-S828 PolarHBondContact O-N 3.43Å; I826-L829 PolarHBondContact O-N 2.89Å; I826-L829 VanDerWaalsContact O-N 3.13Å; I826-E830 PolarHBondContact O-N 3.16Å; I826-L835 HydrophobicContact CG2-CD1 4.4Å
827Y85.2Confident83.5Confident133 Ų13355.6 Ų55.652%0.52230%0.297SS..Hα-helixtrans-60-39.2174.5-69.4-50.6000112.3V548 N823 E824 E830 A831V548-Y827 HydrophobicContact CG1-CE1 4.47Å; V548-Y827 HydrophobicContact CG1-CE2 4.04Å; V548-Y827 VanDerWaalsContact CG1-OH 3.3Å; V548-Y827 WeakPolarHBondContact CG1-OH 3.47Å; V548-Y827 HydrophobicContact CG2-CE1 4.41Å; V548-Y827 HydrophobicContact CG2-CE2 4.45Å; N823-Y827 HydrophobicContact CB-CE2 4.48Å; N823-Y827 WeakPolarHBondContact O-CD2 3.31Å; N823-Y827 PolarHBondContact O-N 3.39Å; E824-Y827 PolarHBondContact O-N 2.84Å; Y827-E830 PolarHBondContact O-N 3.08Å; Y827-A831 WeakPolarHBondContact O-CB 3.35Å; Y827-A831 PolarHBondContact O-N 2.97Å
828S80.2Confident84.5Confident40 Ų4052.3 Ų52.328%0.2828%0.275SS..Hα-helixtrans-65.8-38.6175.2-176.30000112.3R491 E824 M825 I826 E830 A831 D832R491-S828 PolarHBondContact NH1-OG 3.4Å; E824-S828 WeakPolarHBondContact O-CB 3.43Å; E824-S828 PolarHBondContact O-N 2.97Å; M825-S828 WeakPolarHBondContact O-CB 3.39Å; M825-S828 PolarHBondContact O-N 3.2Å; I826-S828 VanDerWaalsContact C-N 3.28Å; I826-S828 PolarHBondContact O-N 3.43Å; S828-E830 VanDerWaalsContact C-N 3.34Å; S828-A831 PolarHBondContact O-N 3.38Å; S828-D832 VanDerWaalsContact O-CB 3.3Å; S828-D832 WeakPolarHBondContact O-CB 3.38Å; S828-D832 PolarHBondContact O-N 3.48Å
829L89Confident84.9Confident0 Ų056.1 Ų56.10%029%0.288CS..Hα-helixtrans-67.4-35.4176.8-71.3170.2000112.6V484 E487 I488 M825 I826 Y833 T834 L835V484-L829 HydrophobicContact CG1-CD1 4.48Å; E487-L829 HydrophobicContact CB-CD1 4.28Å; E487-L829 HydrophobicContact CB-CD2 4.01Å; E487-L829 HydrophobicContact CG-CD2 3.4Å; E487-L829 VanDerWaalsContact CG-CD2 3.4Å; I488-L829 HydrophobicContact CD1-CD1 4.31Å; I488-L829 HydrophobicContact CG1-CD1 3.57Å; M825-L829 VanDerWaalsContact O-CG 3.25Å; M825-L829 WeakPolarHBondContact O-CG 3.33Å; M825-L829 PolarHBondContact O-N 3.41Å; I826-L829 PolarHBondContact O-N 2.89Å; I826-L829 VanDerWaalsContact O-N 3.13Å; L829-Y833 PolarHBondContact O-N 3.27Å; L829-T834 HydrophobicContact CD2-CG2 3.67Å; L829-T834 WeakPolarHBondContact O-CB 3.44Å; L829-T834 PolarHBondContact O-N 3.34Å; L829-L835 HydrophobicContact CB-CD1 4.5Å; L829-L835 HydrophobicContact CB-CD2 4.02Å; L829-L835 HydrophobicContact CB-CG 3.88Å; L829-L835 HydrophobicContact CD1-CD2 4.37Å; L829-L835 PolarHBondContact O-N 2.88Å
830E84.9Confident85.3Confident84 Ų8458.3 Ų58.339%0.39331%0.306SS..Hα-helixtrans-67.3-49.3173.1-168.3-177173.200110.9I826 Y827 S828 D832 Y833 L835I826-E830 PolarHBondContact O-N 3.16Å; Y827-E830 PolarHBondContact O-N 3.08Å; S828-E830 VanDerWaalsContact C-N 3.34Å; E830-D832 VanDerWaalsContact C-N 3.27Å; E830-D832 PolarHBondContact O-N 2.91Å; E830-Y833 PolarHBondContact O-N 2.79Å; E830-L835 HydrophobicContact CB-CD1 3.93Å; E830-L835 HydrophobicContact CG-CD1 4.46Å
831A79.3Confident86.1Confident87 Ų8759.9 Ų59.972%0.71930%0.304SS*.Hα-helixtrans-60.5-36177.900000112.8Y827 S828 Y833Y827-A831 WeakPolarHBondContact O-CB 3.35Å; Y827-A831 PolarHBondContact O-N 2.97Å; S828-A831 PolarHBondContact O-N 3.38Å; A831-Y833 PolarHBondContact O-N 3.06Å
832D83.9Confident86.5Confident90 Ų9061 Ų6148%0.48131%0.305SS..THydrogen-bonded Turntrans-82.76177.5-63.6-18.3000113.2R491 S828 E830 T834R491-D832 IonicContact CZ-OD2 3.62Å; R491-D832 VanDerWaalsContact CZ-OD2 3.27Å; R491-D832 IonicContact NH1-OD2 3.57Å; R491-D832 PolarHBondContact NH1-OD2 3.43Å; R491-D832 IonicContact NH2-OD2 3.77Å; R491-D832 PolarHBondContact NH2-OD2 2.98Å; S828-D832 VanDerWaalsContact O-CB 3.3Å; S828-D832 WeakPolarHBondContact O-CB 3.38Å; S828-D832 PolarHBondContact O-N 3.48Å; E830-D832 VanDerWaalsContact C-N 3.27Å; E830-D832 PolarHBondContact O-N 2.91Å; D832-T834 PolarHBondContact O-N 3.49Å
833Y88.7Confident86.5Confident152 Ų15262.3 Ų62.360%0.59631%0.31SS*.THydrogen-bonded Turntrans59.715.8-176.6-161.2-103.9000114.2L829 E830 A831 D836 M837L829-Y833 PolarHBondContact O-N 3.27Å; E830-Y833 PolarHBondContact O-N 2.79Å; A831-Y833 PolarHBondContact O-N 3.06Å; Y833-D836 HydrophobicContact CD1-CB 4.01Å; Y833-D836 HydrophobicContact CD2-CB 3.67Å; Y833-D836 WeakPolarHBondContact CD2-OD2 3.04Å; Y833-D836 HydrophobicContact CE1-CB 3.74Å; Y833-D836 HydrophobicContact CE2-CB 3.38Å; Y833-D836 WeakPolarHBondContact CE2-OD2 3.14Å; Y833-D836 HydrophobicContact CG-CB 3.98Å; Y833-D836 PolarHBondContact O-N 2.88Å; Y833-M837 PolarHBondContact O-N 3.43Å; Y833-M837 VanDerWaalsContact O-N 3.09Å
834T91.1Very high85.7Confident15 Ų1563.1 Ų63.19%0.09232%0.32CS..Hα-helixtrans-71.5-37.8-176.9-56.40000111.3E487 L829 D832 D836 M837 L838E487-T834 HydrophobicContact CG-CG2 3.95Å; L829-T834 HydrophobicContact CD2-CG2 3.67Å; L829-T834 WeakPolarHBondContact O-CB 3.44Å; L829-T834 PolarHBondContact O-N 3.34Å; D832-T834 PolarHBondContact O-N 3.49Å; T834-D836 VanDerWaalsContact C-N 3.34Å; T834-D836 PolarHBondContact O-N 2.98Å; T834-M837 PolarHBondContact O-N 3.01Å; T834-L838 HydrophobicContact CG2-CD1 4.42Å; T834-L838 WeakPolarHBondContact O-CG 3.26Å; T834-L838 PolarHBondContact O-N 2.93Å
835L91.9Very high84.8Confident14 Ų1461.4 Ų61.47%0.07332%0.321CS..Hα-helixtrans-61.8-42.1175.2-64.4-178.6000111.7V484 I826 L829 E830 L838 R839V484-L835 HydrophobicContact CG1-CD2 3.86Å; V484-L835 HydrophobicContact CG2-CD2 3.98Å; I826-L835 HydrophobicContact CG2-CD1 4.4Å; L829-L835 HydrophobicContact CB-CD1 4.5Å; L829-L835 HydrophobicContact CB-CD2 4.02Å; L829-L835 HydrophobicContact CB-CG 3.88Å; L829-L835 HydrophobicContact CD1-CD2 4.37Å; L829-L835 PolarHBondContact O-N 2.88Å; E830-L835 HydrophobicContact CB-CD1 3.93Å; E830-L835 HydrophobicContact CG-CD1 4.46Å; L835-L838 PolarHBondContact O-N 3.41Å; L835-R839 WeakPolarHBondContact O-CB 3.49Å; L835-R839 PolarHBondContact O-N 3.45Å
836D89.1Confident83.5Confident62 Ų6262.8 Ų62.833%0.33233%0.329SS..Hα-helixtrans-67.3-38177.9-75.5-39.5000112.2Y833 T834 R839 A840Y833-D836 HydrophobicContact CD1-CB 4.01Å; Y833-D836 HydrophobicContact CD2-CB 3.67Å; Y833-D836 WeakPolarHBondContact CD2-OD2 3.04Å; Y833-D836 HydrophobicContact CE1-CB 3.74Å; Y833-D836 HydrophobicContact CE2-CB 3.38Å; Y833-D836 WeakPolarHBondContact CE2-OD2 3.14Å; Y833-D836 HydrophobicContact CG-CB 3.98Å; Y833-D836 PolarHBondContact O-N 2.88Å; T834-D836 VanDerWaalsContact C-N 3.34Å; T834-D836 PolarHBondContact O-N 2.98Å; D836-R839 PolarHBondContact O-N 2.84Å; D836-A840 WeakPolarHBondContact O-CB 3.42Å; D836-A840 PolarHBondContact O-N 3.21Å
837M91.2Very high81.9Confident118 Ų11866.6 Ų66.658%0.58135%0.352SS*.Hα-helixtrans-60.9-49172.6-172.9-148-55.500111.6Y833 T834 R839 A840 K841Y833-M837 PolarHBondContact O-N 3.43Å; Y833-M837 VanDerWaalsContact O-N 3.09Å; T834-M837 PolarHBondContact O-N 3.01Å; M837-R839 VanDerWaalsContact C-N 3.28Å; M837-R839 PolarHBondContact O-N 3.46Å; M837-A840 PolarHBondContact O-N 2.97Å; M837-K841 PolarHBondContact O-N 2.98Å
838L91.8Very high80.5Confident14 Ų1465.2 Ų65.27%0.07336%0.362CS..Hα-helixtrans-61.5-39.7177.1-71.1175000110.8Y480 E483 V484 T834 L835 K841 W842Y480-L838 HydrophobicContact CD2-CB 4.13Å; Y480-L838 HydrophobicContact CE2-CB 3.9Å; E483-L838 HydrophobicContact CB-CD2 4.03Å; E483-L838 WeakPolarHBondContact OE2-CD2 3.28Å; V484-L838 HydrophobicContact CB-CD1 4.46Å; V484-L838 HydrophobicContact CG2-CD1 3.68Å; T834-L838 HydrophobicContact CG2-CD1 4.42Å; T834-L838 WeakPolarHBondContact O-CG 3.26Å; T834-L838 PolarHBondContact O-N 2.93Å; L835-L838 PolarHBondContact O-N 3.41Å; L838-K841 WeakPolarHBondContact O-CB 3.42Å; L838-K841 PolarHBondContact O-N 3.49Å; L838-W842 VanDerWaalsContact O-CD1 3.23Å; L838-W842 PolarHBondContact O-N 2.81Å
839R89.6Confident79.4Confident102 Ų10273.1 Ų73.139%0.38539%0.386SS..Hα-helixtrans-62.9-47.7175.1-174.2-178.5179.6-168.4-1.6111.9Y480 Y551 L835 D836 M837 K841 W842 W843Y480-R839 HydrophobicContact CE2-CB 4.3Å; Y551-R839 HydrophobicContact CE2-CG 4.36Å; L835-R839 WeakPolarHBondContact O-CB 3.49Å; L835-R839 PolarHBondContact O-N 3.45Å; D836-R839 PolarHBondContact O-N 2.84Å; M837-R839 VanDerWaalsContact C-N 3.28Å; M837-R839 PolarHBondContact O-N 3.46Å; R839-K841 VanDerWaalsContact C-N 3.25Å; R839-K841 PolarHBondContact O-N 2.94Å; R839-W842 PolarHBondContact O-N 3.26Å; R839-W843 HydrophobicContact CB-CE3 4.29Å; R839-W843 HydrophobicContact CB-CZ3 4.45Å; R839-W843 HydrophobicContact CG-CE3 3.75Å; R839-W843 HydrophobicContact CG-CZ3 4.15Å; R839-W843 VanDerWaalsContact O-CE3 3.3Å; R839-W843 PolarHBondContact O-N 2.76Å
840A86.7Confident78.2Confident51 Ų5174.9 Ų74.942%0.42140%0.398SS..Hα-helixtrans-59.5-38.717700000111.7D836 M837 W842 A844 S845D836-A840 WeakPolarHBondContact O-CB 3.42Å; D836-A840 PolarHBondContact O-N 3.21Å; M837-A840 PolarHBondContact O-N 2.97Å; A840-W842 PolarHBondContact O-N 3.37Å; A840-A844 HydrophobicContact CB-CB 4.45Å; A840-A844 WeakPolarHBondContact O-CA 3.24Å; A840-A844 WeakPolarHBondContact O-CB 3.37Å; A840-A844 PolarHBondContact O-N 3.48Å; A840-S845 PolarHBondContact O-N 3.26Å
841K88.1Confident76.8Confident106 Ų10674.1 Ų74.146%0.46141%0.412SS..Hα-helixtrans-59.4-48.3177.1-179.9-176.9170-166.10112.7E483 M837 L838 R839 S845E483-K841 IonicContact OE1-NZ 2.67Å; E483-K841 PolarHBondContact OE1-NZ 3.5Å; E483-K841 IonicContact OE2-NZ 3.5Å; E483-K841 PolarHBondContact OE2-NZ 2.93Å; M837-K841 PolarHBondContact O-N 2.98Å; L838-K841 WeakPolarHBondContact O-CB 3.42Å; L838-K841 PolarHBondContact O-N 3.49Å; R839-K841 VanDerWaalsContact C-N 3.25Å; R839-K841 PolarHBondContact O-N 2.94Å; K841-S845 PolarHBondContact O-OG 3.42Å; K841-S845 VanDerWaalsContact O-OG 3.09Å
842W86.7Confident75.4Confident42 Ų4274.5 Ų74.516%0.15942%0.416CS..Hα-helixtrans-80.9-27.8-174.4-75.997.5000114.4P467 T478 G479 Y480 E483 L838 R839 A840P467-W842 HydrophobicContact CB-CE3 3.96Å; T478-W842 HydrophobicContact CG2-CH2 4.14Å; G479-W842 VanDerWaalsContact C-CZ2 3.49Å; Y480-W842 AromaticContact CD2-CD1 3.99Å; E483-W842 PolarHBondContact OE2-NE1 3.12Å; L838-W842 VanDerWaalsContact O-CD1 3.23Å; L838-W842 PolarHBondContact O-N 2.81Å; R839-W842 PolarHBondContact O-N 3.26Å; A840-W842 PolarHBondContact O-N 3.37Å
843W85.4Confident73.7Confident27 Ų2775.9 Ų75.910%0.10242%0.422CS..Hα-helixtrans-115.2-23.2-175-72.7-84.1000115.4P467 Y480 Y551 P784 R839P467-W843 HydrophobicContact CG-CZ2 3.79Å; Y480-W843 AromaticContact CD1-CH2 3.6Å; Y480-W843 HydrophobicContact CD1-CH2 3.6Å; Y480-W843 AromaticContact CD1-CZ3 3.96Å; Y480-W843 HydrophobicContact CD1-CZ3 3.96Å; Y480-W843 AromaticContact CD2-CH2 3.93Å; Y480-W843 HydrophobicContact CD2-CH2 3.93Å; Y480-W843 AromaticContact CD2-CZ3 3.44Å; Y480-W843 HydrophobicContact CD2-CZ3 3.44Å; Y480-W843 VanDerWaalsContact CD2-CZ3 3.44Å; Y480-W843 HydrophobicContact CE1-CH2 4.16Å; Y480-W843 HydrophobicContact CE1-CZ3 4.3Å; Y480-W843 HydrophobicContact CE2-CH2 4.44Å; Y480-W843 AromaticContact CE2-CZ3 3.82Å; Y480-W843 HydrophobicContact CE2-CZ3 3.82Å; Y480-W843 AromaticContact CG-CH2 3.45Å; Y480-W843 HydrophobicContact CG-CH2 3.45Å; Y480-W843 VanDerWaalsContact CG-CH2 3.45Å; Y480-W843 AromaticContact CG-CZ3 3.5Å; Y480-W843 HydrophobicContact CG-CZ3 3.5Å; Y480-W843 VanDerWaalsContact CG-CZ3 3.5Å; Y551-W843 HydrophobicContact CE2-CH2 4.22Å; Y551-W843 HydrophobicContact CE2-CZ3 4.3Å; P784-W843 HydrophobicContact CB-CZ2 3.82Å; P784-W843 PolarHBondContact O-NE1 3.46Å; R839-W843 HydrophobicContact CB-CE3 4.29Å; R839-W843 HydrophobicContact CB-CZ3 4.45Å; R839-W843 HydrophobicContact CG-CE3 3.75Å; R839-W843 HydrophobicContact CG-CZ3 4.15Å; R839-W843 VanDerWaalsContact O-CE3 3.3Å; R839-W843 PolarHBondContact O-N 2.76Å
844A68.9Low71.6Confident48 Ų4872.1 Ų72.140%0.39742%0.419SS..THydrogen-bonded Turntrans-96.7-30.6-177.800000113.9A840 N846 T847A840-A844 HydrophobicContact CB-CB 4.45Å; A840-A844 WeakPolarHBondContact O-CA 3.24Å; A840-A844 WeakPolarHBondContact O-CB 3.37Å; A840-A844 PolarHBondContact O-N 3.48Å; A844-N846 VanDerWaalsContact C-N 3.32Å; A844-N846 PolarHBondContact O-N 2.81Å; A844-N846 VanDerWaalsContact O-N 3.15Å; A844-T847 PolarHBondContact O-N 3.38Å; A844-T847 PolarHBondContact O-OG1 2.81Å
845S57.5Low69.7Low77 Ų7777.4 Ų77.454%0.53845%0.451SS..THydrogen-bonded Turntrans-66.1-23.9-162.675.50000116A840 K841A840-S845 PolarHBondContact O-N 3.26Å; K841-S845 PolarHBondContact O-OG 3.42Å; K841-S845 VanDerWaalsContact O-OG 3.09Å
846N56Low67.3Low56 Ų5682.6 Ų82.630%0.29948%0.478SS..THydrogen-bonded Turntrans-92.9-6-179.9-86.2-12000115.4A791 N792 A844 S848 R849A791-N846 WeakPolarHBondContact O-CB 3.24Å; N792-N846 PolarHBondContact OD1-ND2 3.47Å; A844-N846 VanDerWaalsContact C-N 3.32Å; A844-N846 PolarHBondContact O-N 2.81Å; A844-N846 VanDerWaalsContact O-N 3.15Å; N846-S848 PolarHBondContact O-N 3.42Å; N846-S848 VanDerWaalsContact O-N 3.16Å; N846-R849 PolarHBondContact O-N 3.23Å
847T54Low65.6Low80 Ų8089.4 Ų89.449%0.49151%0.508SS..G310 helixtrans-64.5-20.5179520000113.6A791 A844 R849 C850A791-T847 HydrophobicContact CB-CG2 4.4Å; A844-T847 PolarHBondContact O-N 3.38Å; A844-T847 PolarHBondContact O-OG1 2.81Å; T847-R849 PolarHBondContact O-N 2.81Å; T847-R849 VanDerWaalsContact O-N 3.13Å; T847-C850 PolarHBondContact O-N 3.23Å
848S55.8Low63.9Low105 Ų10586.3 Ų86.373%0.73451%0.507SS*.G310 helixtrans-61.1-19.6176.459.20000114.6N846N846-S848 PolarHBondContact O-N 3.42Å; N846-S848 VanDerWaalsContact O-N 3.16Å
849R58Low62.4Low205 Ų20593 Ų9377%0.77453%0.532SS*.G310 helixtrans-83.7-20.6175.5-68.6-175-176.1171.23.1113.5N846 T847N846-R849 PolarHBondContact O-N 3.23Å; T847-R849 PolarHBondContact O-N 2.81Å; T847-R849 VanDerWaalsContact O-N 3.13Å
850C64.4Low61.1Low37 Ų3792.1 Ų92.125%0.2554%0.535CS..SBendtrans-91.4114.9176.6-56.10000107.9C794 T847C794-C850 WeakPolarHBondContact CA-SG 3.3Å; C794-C850 HydrophobicContact CB-CB 3.82Å; C794-C850 WeakPolarHBondContact CB-SG 3.36Å; C794-C850 WeakPolarHBondContact SG-CA 3.46Å; C794-C850 WeakPolarHBondContact SG-CB 3.44Å; C794-C850 CovalentContact SG-SG 2.04Å; C794-C850 PolarHBondContact SG-SG 3.49Å; T847-C850 PolarHBondContact O-N 3.23Å
851G54.6Low60.2Low68 Ų6897.3 Ų97.370%0.70155%0.548SS*.  trans-54.9142.3168.900000109.3L853G851-L853 PolarHBondContact O-N 2.82Å
852A49.9Very low59.2Low96 Ų9697 Ų9779%0.79355%0.549SS*.  trans-52.4117.3171.700000107.4S854A852-S854 PolarHBondContact O-N 2.78Å
853L49.6Very low58.3Low118 Ų11896.6 Ų96.662%0.61855%0.548SS*.  trans-7179.6171.5-15599.2000105.6I562 G851 V855I562-L853 HydrophobicContact CD1-CD1 4.27Å; I562-L853 HydrophobicContact CD1-CD2 4.3Å; G851-L853 PolarHBondContact O-N 2.82Å; L853-V855 PolarHBondContact O-N 3.34Å; L853-V855 VanDerWaalsContact O-N 3.12Å
854S43.7Very low57.8Low74 Ų7497.2 Ų97.252%0.51756%0.555SS.*  trans-63.5113.7168.646.80000105.7A852 D856A852-S854 PolarHBondContact O-N 2.78Å; S854-D856 PolarHBondContact O-N 2.88Å; S854-D856 PolarHBondContact OG-OD2 3.06Å
855V50.1Low58.2Low126 Ų12695.4 Ų95.476%0.76454%0.541SS*.  trans-71.380.3154.7-177.20000103.6L853 E857L853-V855 PolarHBondContact O-N 3.34Å; L853-V855 VanDerWaalsContact O-N 3.12Å; V855-E857 PolarHBondContact O-N 3.47Å
856D42.6Very low59.3Low122 Ų12291.7 Ų91.765%0.65252%0.515SS*.  trans-63127.3173.7-89.3-49.6000107.5S854 G858S854-D856 PolarHBondContact O-N 2.88Å; S854-D856 PolarHBondContact OG-OD2 3.06Å; D856-G858 PolarHBondContact O-N 3.43Å; D856-G858 VanDerWaalsContact O-N 3.17Å
857E53.8Low60.5Low205 Ų20594.2 Ų94.296%0.95853%0.527SS*.SBendtrans-71.6-3.5-178.2-64.7-177.8163.300112.6V855V855-E857 PolarHBondContact O-N 3.47Å
858G54.3Low61.9Low54 Ų5496.4 Ų96.456%0.55753%0.53SS*.SBendtrans-94.1154.1177.400000113.4D856 D860D856-G858 PolarHBondContact O-N 3.43Å; D856-G858 VanDerWaalsContact O-N 3.17Å; G858-D860 PolarHBondContact O-N 2.88Å
859Y61.9Low63.2Low154 Ų15494.7 Ų94.760%0.60452%0.518SS*.PPolyproline II helixtrans-62.6129.6173.2-65.7-75.8000111L676 E863L676-Y859 HydrophobicContact CD2-CE1 4.37Å; Y859-E863 WeakPolarHBondContact CD1-OE2 3.36Å
860D61.8Low64.4Low83 Ų8389 Ų8944%0.44450%0.502SS..PPolyproline II helixtrans-72.6156.3179.7-159.8-4.8000110.9G858 E862 E863 V864G858-D860 PolarHBondContact O-N 2.88Å; D860-E862 PolarHBondContact O-N 3.03Å; D860-E862 VanDerWaalsContact O-N 3.15Å; D860-E863 PolarHBondContact O-N 3.37Å; D860-V864 PolarHBondContact O-N 3.26Å
861F68.1Low65.5Low160 Ų16092.6 Ų92.670%0.70252%0.518SS*.Hα-helixtrans-58.7-28.4178.2-175.8-94.5000112E863 G865F861-E863 VanDerWaalsContact C-N 3.34Å; F861-G865 VanDerWaalsContact O-CA 3.23Å; F861-G865 WeakPolarHBondContact O-CA 3.37Å; F861-G865 PolarHBondContact O-N 3.4Å
862E67.3Low67.2Low101 Ų10190.9 Ų90.947%0.47250%0.501SS..Hα-helixtrans-65.3-35.4174.8-69.1-179.416900112.6K567 A570 D860K567-E862 WeakPolarHBondContact CD-OE2 3.45Å; K567-E862 IonicContact NZ-OE1 2.76Å; K567-E862 IonicContact NZ-OE2 2.6Å; K567-E862 PolarHBondContact NZ-OE2 2.97Å; A570-E862 WeakPolarHBondContact CA-O 3.14Å; A570-E862 WeakPolarHBondContact CB-O 3.3Å; D860-E862 PolarHBondContact O-N 3.03Å; D860-E862 VanDerWaalsContact O-N 3.15Å
863E67Low69.1Low32 Ų3289.9 Ų89.915%0.1549%0.487CS..Hα-helixtrans-78.8-40-179-60.5-177151.300111.5L568 Y859 D860 F861L568-E863 HydrophobicContact CB-CG 4.13Å; Y859-E863 WeakPolarHBondContact CD1-OE2 3.36Å; D860-E863 PolarHBondContact O-N 3.37Å; F861-E863 VanDerWaalsContact C-N 3.34Å
864V74.4Confident71.1Confident40 Ų4086.4 Ų86.424%0.24248%0.479CS..Hα-helixtrans-78.6-25.8177-171.60000111.4D860 G866 M867 F868D860-V864 PolarHBondContact O-N 3.26Å; V864-G866 VanDerWaalsContact C-N 3.27Å; V864-G866 PolarHBondContact O-N 3.43Å; V864-M867 HydrophobicContact CB-CE 4.22Å; V864-M867 HydrophobicContact CG1-CE 3.51Å; V864-M867 WeakPolarHBondContact O-CB 3.23Å; V864-M867 PolarHBondContact O-N 2.92Å; V864-M867 VanDerWaalsContact O-N 3.11Å; V864-F868 HydrophobicContact CG1-CD2 4.11Å; V864-F868 HydrophobicContact CG1-CE2 3.52Å; V864-F868 HydrophobicContact CG1-CZ 4.41Å
865G78.4Confident73.4Confident10 Ų1088.3 Ų88.310%0.10348%0.483CS..Hα-helixtrans-60-28.1-174.200000114.8F861 M867 F868 S869F861-G865 VanDerWaalsContact O-CA 3.23Å; F861-G865 WeakPolarHBondContact O-CA 3.37Å; F861-G865 PolarHBondContact O-N 3.4Å; G865-M867 PolarHBondContact O-N 2.76Å; G865-F868 PolarHBondContact O-N 3.49Å; G865-S869 WeakPolarHBondContact O-CB 3.23Å; G865-S869 PolarHBondContact O-N 3.15Å; G865-S869 PolarHBondContact O-OG 3.28Å
866G79.1Confident75.5Confident0 Ų086.7 Ų86.70%047%0.473CS..Hα-helixtrans-68.2-32.3176.300000114A570 V864 S869 L870A570-G866 VanDerWaalsContact O-CA 3.27Å; A570-G866 WeakPolarHBondContact O-CA 3.3Å; V864-G866 VanDerWaalsContact C-N 3.27Å; V864-G866 PolarHBondContact O-N 3.43Å; G866-S869 PolarHBondContact O-N 3.25Å; G866-L870 PolarHBondContact O-N 2.88Å
867M80.9Confident77.9Confident108 Ų10885.7 Ų85.753%0.53247%0.467SS..Hα-helixtrans-65.4-41.7174.4-64.2-172.5-72.500110.9F573 V864 G865 L870 L871F573-M867 HydrophobicContact CD1-CG 4.4Å; F573-M867 HydrophobicContact CE1-CG 4.06Å; V864-M867 HydrophobicContact CB-CE 4.22Å; V864-M867 HydrophobicContact CG1-CE 3.51Å; V864-M867 WeakPolarHBondContact O-CB 3.23Å; V864-M867 PolarHBondContact O-N 2.92Å; V864-M867 VanDerWaalsContact O-N 3.11Å; G865-M867 PolarHBondContact O-N 2.76Å; M867-L870 PolarHBondContact O-N 2.7Å; M867-L871 PolarHBondContact O-N 2.75Å
868F84.1Confident79.8Confident127 Ų12777.7 Ų77.756%0.55744%0.44SS*.Hα-helixtrans-69.6-35174.5-65.5-67000112.6V864 G865 L870 L871 G872V864-F868 HydrophobicContact CG1-CD2 4.11Å; V864-F868 HydrophobicContact CG1-CE2 3.52Å; V864-F868 HydrophobicContact CG1-CZ 4.41Å; G865-F868 PolarHBondContact O-N 3.49Å; F868-L870 VanDerWaalsContact C-N 3.34Å; F868-L870 PolarHBondContact O-N 3.31Å; F868-L871 WeakPolarHBondContact O-CB 3.39Å; F868-L871 PolarHBondContact O-N 3.48Å; F868-G872 PolarHBondContact O-N 2.91Å
869S83.6Confident81.6Confident69 Ų6979 Ų7948%0.48344%0.436SS..Hα-helixtrans-63.3-38.8176.4-62.20000112G865 G866 G872 C873G865-S869 WeakPolarHBondContact O-CB 3.23Å; G865-S869 PolarHBondContact O-N 3.15Å; G865-S869 PolarHBondContact O-OG 3.28Å; G866-S869 PolarHBondContact O-N 3.25Å; S869-G872 PolarHBondContact O-N 3.2Å; S869-C873 PolarHBondContact O-N 2.83Å; S869-C873 PolarHBondContact O-SG 2.86Å; S869-C873 VanDerWaalsContact O-SG 3.4Å
870L83.9Confident83.1Confident85 Ų8575.7 Ų75.745%0.44543%0.432SS..Hα-helixtrans-62.5-42.6173.9-82164.7000112.6F573 G866 M867 F868 G872 C873 G874F573-L870 HydrophobicContact CE2-CD1 3.4Å; F573-L870 VanDerWaalsContact CE2-CD1 3.4Å; F573-L870 HydrophobicContact CZ-CD1 3.32Å; F573-L870 HydrophobicContact CZ-CG 4.45Å; G866-L870 PolarHBondContact O-N 2.88Å; M867-L870 PolarHBondContact O-N 2.7Å; F868-L870 VanDerWaalsContact C-N 3.34Å; F868-L870 PolarHBondContact O-N 3.31Å; L870-G872 VanDerWaalsContact C-N 3.32Å; L870-G872 PolarHBondContact O-N 3.43Å; L870-C873 PolarHBondContact O-N 2.88Å; L870-G874 PolarHBondContact O-N 3.34Å
871L87.5Confident84.5Confident113 Ų11376.1 Ų76.159%0.59243%0.434SS*.Hα-helixtrans-61.2-43.6173.9-179.365.5000111M867 F868 G874 L875M867-L871 PolarHBondContact O-N 2.75Å; F868-L871 WeakPolarHBondContact O-CB 3.39Å; F868-L871 PolarHBondContact O-N 3.48Å; L871-G874 PolarHBondContact O-N 3.48Å; L871-L875 WeakPolarHBondContact O-CG 3.45Å; L871-L875 PolarHBondContact O-N 3.22Å
872G89.2Confident85.7Confident32 Ų3273 Ų7333%0.3342%0.424SS..Hα-helixtrans-58.4-46.5175.300000112.8F868 S869 L870 G874 L875 V876F868-G872 PolarHBondContact O-N 2.91Å; S869-G872 PolarHBondContact O-N 3.2Å; L870-G872 VanDerWaalsContact C-N 3.32Å; L870-G872 PolarHBondContact O-N 3.43Å; G872-G874 VanDerWaalsContact C-N 3.33Å; G872-G874 PolarHBondContact O-N 3.43Å; G872-L875 PolarHBondContact O-N 3.27Å; G872-V876 WeakPolarHBondContact O-CG2 3.48Å; G872-V876 PolarHBondContact O-N 3.36Å
873C90.2Very high86.8Confident75 Ų7572.6 Ų72.651%0.50742%0.424SS..Hα-helixtrans-59-42.8174.3-72.50000112S869 L870 L875 V876 I877S869-C873 PolarHBondContact O-N 2.83Å; S869-C873 PolarHBondContact O-SG 2.86Å; S869-C873 VanDerWaalsContact O-SG 3.4Å; L870-C873 PolarHBondContact O-N 2.88Å; C873-L875 PolarHBondContact O-N 3.13Å; C873-V876 PolarHBondContact O-N 3.49Å; C873-I877 WeakPolarHBondContact O-CB 3.25Å; C873-I877 VanDerWaalsContact O-CG1 3.26Å; C873-I877 WeakPolarHBondContact O-CG1 3.28Å; C873-I877 PolarHBondContact O-N 2.81Å
874G90.2Very high87.8Confident44 Ų4473.2 Ų73.245%0.45443%0.432SS..Hα-helixtrans-59.9-4417600000112.9L870 L871 G872 G878L870-G874 PolarHBondContact O-N 3.34Å; L871-G874 PolarHBondContact O-N 3.48Å; G872-G874 VanDerWaalsContact C-N 3.33Å; G872-G874 PolarHBondContact O-N 3.43Å; G874-G878 PolarHBondContact O-N 3.28Å
875L93.6Very high88.5Confident114 Ų11477 Ų7760%0.59745%0.447SS*.Hα-helixtrans-64.3-44.1176.6-69.7173000112.1L871 G872 C873 G878 V879L871-L875 WeakPolarHBondContact O-CG 3.45Å; L871-L875 PolarHBondContact O-N 3.22Å; G872-L875 PolarHBondContact O-N 3.27Å; C873-L875 PolarHBondContact O-N 3.13Å; L875-G878 PolarHBondContact O-N 2.9Å; L875-V879 WeakPolarHBondContact O-CG2 3.21Å; L875-V879 PolarHBondContact O-N 2.84Å
876V93.1Very high89Confident92 Ų9281 Ų8156%0.55847%0.465SS*.Hα-helixtrans-63.6-46178.7172.80000111G872 C873 G878 V879 V880G872-V876 WeakPolarHBondContact O-CG2 3.48Å; G872-V876 PolarHBondContact O-N 3.36Å; C873-V876 PolarHBondContact O-N 3.49Å; V876-G878 VanDerWaalsContact C-N 3.3Å; V876-G878 PolarHBondContact O-N 3.39Å; V876-V879 PolarHBondContact O-N 3.13Å; V876-V880 HydrophobicContact CG1-CG2 4.35Å; V876-V880 WeakPolarHBondContact O-CG2 3.23Å; V876-V880 PolarHBondContact O-N 3.3Å
877I93.7Very high89.4Confident102 Ų10284.5 Ų84.552%0.52349%0.486SS..Hα-helixtrans-61.1-42.3177.1-68.1166.1000110.2C873 V879 V880 L881C873-I877 WeakPolarHBondContact O-CB 3.25Å; C873-I877 VanDerWaalsContact O-CG1 3.26Å; C873-I877 WeakPolarHBondContact O-CG1 3.28Å; C873-I877 PolarHBondContact O-N 2.81Å; I877-V879 PolarHBondContact O-N 3.46Å; I877-V880 PolarHBondContact O-N 2.93Å; I877-L881 HydrophobicContact CG2-CD1 3.98Å; I877-L881 HydrophobicContact CG2-CG 4.38Å; I877-L881 WeakPolarHBondContact O-CB 3.44Å; I877-L881 WeakPolarHBondContact O-CG 3.4Å; I877-L881 PolarHBondContact O-N 2.71Å
878G92.9Very high89.7Confident37 Ų3783.9 Ų83.938%0.38148%0.484SS..Hα-helixtrans-59.3-43.8175.300000113G874 L875 V876 L881 L882G874-G878 PolarHBondContact O-N 3.28Å; L875-G878 PolarHBondContact O-N 2.9Å; V876-G878 VanDerWaalsContact C-N 3.3Å; V876-G878 PolarHBondContact O-N 3.39Å; G878-L881 PolarHBondContact O-N 3.31Å; G878-L882 WeakPolarHBondContact O-CB 3.26Å; G878-L882 PolarHBondContact O-N 2.86Å
879V93Very high89.8Confident81 Ų8184.1 Ų84.149%0.49149%0.485SS..Hα-helixtrans-67.5-41.8176.7172.90000111.7L875 V876 I877 L881 L882 I883L875-V879 WeakPolarHBondContact O-CG2 3.21Å; L875-V879 PolarHBondContact O-N 2.84Å; V876-V879 PolarHBondContact O-N 3.13Å; I877-V879 PolarHBondContact O-N 3.46Å; V879-L881 VanDerWaalsContact C-N 3.33Å; V879-L881 PolarHBondContact O-N 3.25Å; V879-L882 WeakPolarHBondContact O-CB 3.41Å; V879-L882 PolarHBondContact O-N 3.03Å; V879-I883 HydrophobicContact CG1-CD1 3.9Å; V879-I883 HydrophobicContact CG1-CG1 4.44Å; V879-I883 VanDerWaalsContact O-CG1 3.3Å; V879-I883 WeakPolarHBondContact O-CG1 3.49Å; V879-I883 PolarHBondContact O-N 2.82Å
880V92.4Very high89.7Confident85 Ų8586.1 Ų86.152%0.51549%0.487SS..Hα-helixtrans-62.8-42.3177170.30000110.8V876 I877 I883 S884V876-V880 HydrophobicContact CG1-CG2 4.35Å; V876-V880 WeakPolarHBondContact O-CG2 3.23Å; V876-V880 PolarHBondContact O-N 3.3Å; I877-V880 PolarHBondContact O-N 2.93Å; V880-I883 PolarHBondContact O-N 2.61Å; V880-S884 WeakPolarHBondContact O-CB 3.48Å; V880-S884 PolarHBondContact O-N 3.43Å
881L92.5Very high89.7Confident91 Ų9186.5 Ų86.548%0.47649%0.488SS..Hα-helixtrans-63-45.3174.9-73.4173.6000111.2I877 G878 V879 I883 S884 E885I877-L881 HydrophobicContact CG2-CD1 3.98Å; I877-L881 HydrophobicContact CG2-CG 4.38Å; I877-L881 WeakPolarHBondContact O-CB 3.44Å; I877-L881 WeakPolarHBondContact O-CG 3.4Å; I877-L881 PolarHBondContact O-N 2.71Å; G878-L881 PolarHBondContact O-N 3.31Å; V879-L881 VanDerWaalsContact C-N 3.33Å; V879-L881 PolarHBondContact O-N 3.25Å; L881-I883 VanDerWaalsContact C-N 3.33Å; L881-I883 PolarHBondContact O-N 2.73Å; L881-S884 CarbonylContact O-C 3.03Å; L881-S884 WeakPolarHBondContact O-CA 3.43Å; L881-S884 WeakPolarHBondContact O-CB 3.22Å; L881-S884 PolarHBondContact O-N 3.34Å; L881-S884 VanDerWaalsContact O-N 3.08Å; L881-S884 PolarHBondContact O-OG 3.4Å; L881-E885 WeakPolarHBondContact O-CG 3.42Å; L881-E885 PolarHBondContact O-N 3.22Å
882L91.9Very high89.3Confident94 Ų9485.9 Ų85.949%0.49249%0.485SS..Hα-helixtrans-57.6-44.4174.6179.469.4000111.9G878 V879 S884 E885 I886G878-L882 WeakPolarHBondContact O-CB 3.26Å; G878-L882 PolarHBondContact O-N 2.86Å; V879-L882 WeakPolarHBondContact O-CB 3.41Å; V879-L882 PolarHBondContact O-N 3.03Å; L882-S884 VanDerWaalsContact C-N 3.35Å; L882-E885 PolarHBondContact O-N 3.36Å; L882-I886 HydrophobicContact CD1-CD1 4.31Å; L882-I886 HydrophobicContact CG-CD1 4.03Å; L882-I886 VanDerWaalsContact O-CG1 3.25Å; L882-I886 WeakPolarHBondContact O-CG1 3.47Å; L882-I886 PolarHBondContact O-N 3.27Å
883I90.8Very high88.7Confident94 Ų9487.1 Ų87.148%0.48248%0.484SS..Hα-helixtrans-63.5-43.5175.7-67.5166.3000110.2V879 V880 L881 E885 I886 V887V879-I883 HydrophobicContact CG1-CD1 3.9Å; V879-I883 HydrophobicContact CG1-CG1 4.44Å; V879-I883 VanDerWaalsContact O-CG1 3.3Å; V879-I883 WeakPolarHBondContact O-CG1 3.49Å; V879-I883 PolarHBondContact O-N 2.82Å; V880-I883 PolarHBondContact O-N 2.61Å; L881-I883 VanDerWaalsContact C-N 3.33Å; L881-I883 PolarHBondContact O-N 2.73Å; I883-E885 VanDerWaalsContact C-N 3.3Å; I883-E885 PolarHBondContact O-N 3.45Å; I883-I886 PolarHBondContact O-N 3.2Å; I883-V887 HydrophobicContact CG2-CG2 4.23Å; I883-V887 WeakPolarHBondContact O-CB 3.35Å; I883-V887 VanDerWaalsContact O-CG2 3.25Å; I883-V887 WeakPolarHBondContact O-CG2 3.48Å; I883-V887 PolarHBondContact O-N 3.06Å
884S88.3Confident87.8Confident44 Ų4489.7 Ų89.731%0.30849%0.486SS..Hα-helixtrans-61-40.3177.184.60000111.6V880 L881 L882 V887 I888V880-S884 WeakPolarHBondContact O-CB 3.48Å; V880-S884 PolarHBondContact O-N 3.43Å; L881-S884 CarbonylContact O-C 3.03Å; L881-S884 WeakPolarHBondContact O-CA 3.43Å; L881-S884 WeakPolarHBondContact O-CB 3.22Å; L881-S884 PolarHBondContact O-N 3.34Å; L881-S884 VanDerWaalsContact O-N 3.08Å; L881-S884 PolarHBondContact O-OG 3.4Å; L882-S884 VanDerWaalsContact C-N 3.35Å; S884-V887 PolarHBondContact O-N 2.64Å; S884-I888 VanDerWaalsContact O-CB 3.26Å; S884-I888 WeakPolarHBondContact O-CB 3.43Å; S884-I888 WeakPolarHBondContact O-CD1 3.33Å; S884-I888 WeakPolarHBondContact O-CG1 3.17Å; S884-I888 PolarHBondContact O-N 2.66Å
885E89.9Confident86.8Confident121 Ų12194.4 Ų94.457%0.56549%0.494SS*.Hα-helixtrans-66-45.7177.2-74.3174.7-173.700110.7L881 L882 I883 V887 I888 F889L881-E885 WeakPolarHBondContact O-CG 3.42Å; L881-E885 PolarHBondContact O-N 3.22Å; L882-E885 PolarHBondContact O-N 3.36Å; I883-E885 VanDerWaalsContact C-N 3.3Å; I883-E885 PolarHBondContact O-N 3.45Å; E885-V887 PolarHBondContact O-N 3.31Å; E885-I888 PolarHBondContact O-N 3.45Å; E885-F889 WeakPolarHBondContact O-CA 3.49Å; E885-F889 WeakPolarHBondContact O-CB 3.26Å; E885-F889 PolarHBondContact O-N 2.95Å
886I88.9Confident85.3Confident94 Ų9495 Ų9548%0.48249%0.494SS..Hα-helixtrans-61.1-45.1175.4-68.7166.6000110.4L882 I883 F889 H890L882-I886 HydrophobicContact CD1-CD1 4.31Å; L882-I886 HydrophobicContact CG-CD1 4.03Å; L882-I886 VanDerWaalsContact O-CG1 3.25Å; L882-I886 WeakPolarHBondContact O-CG1 3.47Å; L882-I886 PolarHBondContact O-N 3.27Å; I883-I886 PolarHBondContact O-N 3.2Å; I886-F889 PolarHBondContact O-N 3.16Å; I886-H890 VanDerWaalsContact O-CB 3.26Å; I886-H890 WeakPolarHBondContact O-CB 3.36Å; I886-H890 PolarHBondContact O-N 3.34Å
887V86.5Confident83.6Confident73 Ų7396.4 Ų96.444%0.44249%0.494SS..Hα-helixtrans-66.2-46.7179.9170.30000111I883 S884 E885 F889 H890 I891I883-V887 HydrophobicContact CG2-CG2 4.23Å; I883-V887 WeakPolarHBondContact O-CB 3.35Å; I883-V887 VanDerWaalsContact O-CG2 3.25Å; I883-V887 WeakPolarHBondContact O-CG2 3.48Å; I883-V887 PolarHBondContact O-N 3.06Å; S884-V887 PolarHBondContact O-N 2.64Å; E885-V887 PolarHBondContact O-N 3.31Å; V887-F889 VanDerWaalsContact C-N 3.33Å; V887-F889 PolarHBondContact O-N 2.63Å; V887-H890 PolarHBondContact O-N 2.89Å; V887-I891 HydrophobicContact CG1-CD1 3.73Å; V887-I891 HydrophobicContact CG1-CG1 4.38Å; V887-I891 WeakPolarHBondContact O-CB 3.36Å; V887-I891 VanDerWaalsContact O-CG1 3.24Å; V887-I891 WeakPolarHBondContact O-CG1 3.22Å; V887-I891 PolarHBondContact O-N 3.44Å
888I86.8Confident81.7Confident94 Ų9495.3 Ų95.348%0.48249%0.492SS..Hα-helixtrans-60.6-46.2175.9-70.8165.6000109.6S884 E885 H890 I891 L892S884-I888 VanDerWaalsContact O-CB 3.26Å; S884-I888 WeakPolarHBondContact O-CB 3.43Å; S884-I888 WeakPolarHBondContact O-CD1 3.33Å; S884-I888 WeakPolarHBondContact O-CG1 3.17Å; S884-I888 PolarHBondContact O-N 2.66Å; E885-I888 PolarHBondContact O-N 3.45Å; I888-H890 VanDerWaalsContact C-N 3.32Å; I888-H890 PolarHBondContact O-N 3.47Å; I888-I891 PolarHBondContact O-N 3.43Å; I888-L892 HydrophobicContact CG2-CD1 3.78Å; I888-L892 HydrophobicContact CG2-CG 4.27Å; I888-L892 WeakPolarHBondContact O-CB 3.4Å; I888-L892 VanDerWaalsContact O-CG 3.24Å; I888-L892 WeakPolarHBondContact O-CG 3.5Å; I888-L892 PolarHBondContact O-N 3.02Å
889F85.9Confident79.9Confident133 Ų133101.1 Ų101.158%0.58351%0.507SS*.Hα-helixtrans-59.8-42.1175.9-176.9-108.2000111.5E885 I886 V887 L892 L893E885-F889 WeakPolarHBondContact O-CA 3.49Å; E885-F889 WeakPolarHBondContact O-CB 3.26Å; E885-F889 PolarHBondContact O-N 2.95Å; I886-F889 PolarHBondContact O-N 3.16Å; V887-F889 VanDerWaalsContact C-N 3.33Å; V887-F889 PolarHBondContact O-N 2.63Å; F889-L892 PolarHBondContact O-N 3.37Å; F889-L893 HydrophobicContact CD1-CD1 3.6Å; F889-L893 HydrophobicContact CD1-CG 4.48Å; F889-L893 HydrophobicContact CE1-CD1 3.22Å; F889-L893 HydrophobicContact CE1-CG 4.21Å; F889-L893 HydrophobicContact CE2-CD1 4.34Å; F889-L893 HydrophobicContact CG-CD1 4.32Å; F889-L893 HydrophobicContact CZ-CD1 3.63Å; F889-L893 HydrophobicContact CZ-CG 4.23Å; F889-L893 VanDerWaalsContact O-CB 3.28Å; F889-L893 WeakPolarHBondContact O-CB 3.24Å; F889-L893 WeakPolarHBondContact O-CG 3.36Å; F889-L893 PolarHBondContact O-N 3.29Å
890H83.2Confident78.2Confident111 Ų111101.2 Ų101.251%0.51451%0.508SS..Hα-helixtrans-69.2-35.5177.1-138.287.5000112.5I886 V887 I888 K894I886-H890 VanDerWaalsContact O-CB 3.26Å; I886-H890 WeakPolarHBondContact O-CB 3.36Å; I886-H890 PolarHBondContact O-N 3.34Å; V887-H890 PolarHBondContact O-N 2.89Å; I888-H890 VanDerWaalsContact C-N 3.32Å; I888-H890 PolarHBondContact O-N 3.47Å; H890-K894 VanDerWaalsContact O-CB 3.3Å; H890-K894 WeakPolarHBondContact O-CB 3.29Å; H890-K894 PolarHBondContact O-N 3.38Å
891I82.4Confident76.1Confident93 Ų93101.3 Ų101.348%0.47751%0.509SS..Hα-helixtrans-69.2-42.9174.3-70.3166.6000110.4V887 I888 K894 K895V887-I891 HydrophobicContact CG1-CD1 3.73Å; V887-I891 HydrophobicContact CG1-CG1 4.38Å; V887-I891 WeakPolarHBondContact O-CB 3.36Å; V887-I891 VanDerWaalsContact O-CG1 3.24Å; V887-I891 WeakPolarHBondContact O-CG1 3.22Å; V887-I891 PolarHBondContact O-N 3.44Å; I888-I891 PolarHBondContact O-N 3.43Å; I891-K894 PolarHBondContact O-N 3.31Å; I891-K895 WeakPolarHBondContact O-CB 3.48Å; I891-K895 PolarHBondContact O-N 3.44Å
892L80.7Confident74.2Confident99 Ų99104.1 Ų104.152%0.51852%0.524SS..Hα-helixtrans-64.6-42.7176-70.6173.3000110.8I888 F889 K895 Q896I888-L892 HydrophobicContact CG2-CD1 3.78Å; I888-L892 HydrophobicContact CG2-CG 4.27Å; I888-L892 WeakPolarHBondContact O-CB 3.4Å; I888-L892 VanDerWaalsContact O-CG 3.24Å; I888-L892 WeakPolarHBondContact O-CG 3.5Å; I888-L892 PolarHBondContact O-N 3.02Å; F889-L892 PolarHBondContact O-N 3.37Å; L892-K895 WeakPolarHBondContact O-CB 3.23Å; L892-K895 PolarHBondContact O-N 3.01Å; L892-Q896 PolarHBondContact O-N 2.81Å
893L76.7Confident72.2Confident59 Ų59107.1 Ų107.131%0.30954%0.536SS..Hα-helixtrans-63.8-42.6171.6-84.6170.5000112.2F889 K895 Q896 Q897F889-L893 HydrophobicContact CD1-CD1 3.6Å; F889-L893 HydrophobicContact CD1-CG 4.48Å; F889-L893 HydrophobicContact CE1-CD1 3.22Å; F889-L893 HydrophobicContact CE1-CG 4.21Å; F889-L893 HydrophobicContact CE2-CD1 4.34Å; F889-L893 HydrophobicContact CG-CD1 4.32Å; F889-L893 HydrophobicContact CZ-CD1 3.63Å; F889-L893 HydrophobicContact CZ-CG 4.23Å; F889-L893 VanDerWaalsContact O-CB 3.28Å; F889-L893 WeakPolarHBondContact O-CB 3.24Å; F889-L893 WeakPolarHBondContact O-CG 3.36Å; F889-L893 PolarHBondContact O-N 3.29Å; L893-K895 VanDerWaalsContact C-N 3.32Å; L893-K895 PolarHBondContact O-N 2.82Å; L893-Q896 CarbonylContact O-C 3.4Å; L893-Q896 WeakPolarHBondContact O-CB 3.33Å; L893-Q896 PolarHBondContact O-N 3.16Å; L893-Q896 VanDerWaalsContact O-N 3.13Å; L893-Q897 WeakPolarHBondContact O-CB 3.23Å; L893-Q897 PolarHBondContact O-N 3.33Å
894K69.9Low69.6Low128 Ų128112.2 Ų112.256%0.55755%0.549SS*.Hα-helixtrans-63.7-37.3174.3-99.3-174.9176.4178.20111.6H890 I891 Q896 Q897 T898H890-K894 VanDerWaalsContact O-CB 3.3Å; H890-K894 WeakPolarHBondContact O-CB 3.29Å; H890-K894 PolarHBondContact O-N 3.38Å; I891-K894 PolarHBondContact O-N 3.31Å; K894-Q896 VanDerWaalsContact C-N 3.32Å; K894-Q897 PolarHBondContact O-N 2.93Å; K894-T898 WeakPolarHBondContact O-CB 3.29Å; K894-T898 PolarHBondContact O-N 2.88Å; K894-T898 PolarHBondContact O-OG1 2.87Å
895K69.2Low67.8Low143 Ų143114.9 Ų114.962%0.62257%0.565SS**Hα-helixtrans-63.4-38.4171.8-90.6-174.5174178.90111.5I891 L892 L893 T898 K899I891-K895 WeakPolarHBondContact O-CB 3.48Å; I891-K895 PolarHBondContact O-N 3.44Å; L892-K895 WeakPolarHBondContact O-CB 3.23Å; L892-K895 PolarHBondContact O-N 3.01Å; L893-K895 VanDerWaalsContact C-N 3.32Å; L893-K895 PolarHBondContact O-N 2.82Å; K895-T898 WeakPolarHBondContact CA-OG1 3.11Å; K895-T898 PolarHBondContact O-OG1 3.44Å; K895-K899 WeakPolarHBondContact O-CB 3.36Å; K895-K899 PolarHBondContact O-N 3.2Å
896Q62.4Low65.5Low128 Ų128121.1 Ų121.160%0.59858%0.583SS**Hα-helixtrans-69.4-43.9173-75-174.3-18.400111.9L892 L893 K894 K899 V900L892-Q896 PolarHBondContact O-N 2.81Å; L893-Q896 CarbonylContact O-C 3.4Å; L893-Q896 WeakPolarHBondContact O-CB 3.33Å; L893-Q896 PolarHBondContact O-N 3.16Å; L893-Q896 VanDerWaalsContact O-N 3.13Å; K894-Q896 VanDerWaalsContact C-N 3.32Å; Q896-K899 WeakPolarHBondContact O-CB 3.08Å; Q896-K899 PolarHBondContact O-N 3.12Å; Q896-V900 WeakPolarHBondContact O-CG2 3.02Å; Q896-V900 PolarHBondContact O-N 2.81Å
897Q56.7Low63.3Low121 Ų121123.6 Ų123.657%0.56560%0.597SS**Hα-helixtrans-68.3-34.1177-83.5-176.4-21.200112.9L893 K894 V900 T901L893-Q897 WeakPolarHBondContact O-CB 3.23Å; L893-Q897 PolarHBondContact O-N 3.33Å; K894-Q897 PolarHBondContact O-N 2.93Å; Q897-V900 CarbonylContact O-C 3.57Å; Q897-V900 PolarHBondContact O-N 3.3Å; Q897-T901 WeakPolarHBondContact O-CA 3.27Å; Q897-T901 VanDerWaalsContact O-CB 3.22Å; Q897-T901 WeakPolarHBondContact O-CB 3.28Å; Q897-T901 PolarHBondContact O-N 3.47Å; Q897-T901 PolarHBondContact O-OG1 3.18Å
898T55.3Low61Low78 Ų78125.6 Ų125.648%0.47961%0.611SS.*Hα-helixtrans-72.8-34.7173400000111.3K894 K895 V900 T901 N902K894-T898 WeakPolarHBondContact O-CB 3.29Å; K894-T898 PolarHBondContact O-N 2.88Å; K894-T898 PolarHBondContact O-OG1 2.87Å; K895-T898 WeakPolarHBondContact CA-OG1 3.11Å; K895-T898 PolarHBondContact O-OG1 3.44Å; T898-V900 VanDerWaalsContact C-N 3.3Å; T898-T901 PolarHBondContact O-N 3.33Å; T898-N902 WeakPolarHBondContact O-CB 3.35Å; T898-N902 PolarHBondContact O-N 2.89Å
899K54.3Low58.5Low160 Ų160126.2 Ų126.270%0.69662%0.622SS**Hα-helixtrans-56.5-45.3163-93-175.1170.7-173.60111.3K895 Q896 E903K895-K899 WeakPolarHBondContact O-CB 3.36Å; K895-K899 PolarHBondContact O-N 3.2Å; Q896-K899 WeakPolarHBondContact O-CB 3.08Å; Q896-K899 PolarHBondContact O-N 3.12Å; K899-E903 PolarHBondContact O-N 3.18Å
900V56.4Low56.2Low82 Ų82128.3 Ų128.350%0.49763%0.633SS.*Hα-helixtrans-75.5-24.7179.6174.40000113.5Q896 Q897 T898 E903 R904Q896-V900 WeakPolarHBondContact O-CG2 3.02Å; Q896-V900 PolarHBondContact O-N 2.81Å; Q897-V900 CarbonylContact O-C 3.57Å; Q897-V900 PolarHBondContact O-N 3.3Å; T898-V900 VanDerWaalsContact C-N 3.3Å; V900-E903 CarbonylContact O-C 3.58Å; V900-E903 PolarHBondContact O-N 3.43Å; V900-R904 PolarHBondContact O-N 2.97Å
901T50.4Low53.9Low88 Ų88128.6 Ų128.654%0.5465%0.645SS.*Hα-helixtrans-90-32.3-177.1-54.20000111.7Q897 T898 E903 R904Q897-T901 WeakPolarHBondContact O-CA 3.27Å; Q897-T901 VanDerWaalsContact O-CB 3.22Å; Q897-T901 WeakPolarHBondContact O-CB 3.28Å; Q897-T901 PolarHBondContact O-N 3.47Å; Q897-T901 PolarHBondContact O-OG1 3.18Å; T898-T901 PolarHBondContact O-N 3.33Å; T901-E903 PolarHBondContact O-N 2.86Å; T901-R904 PolarHBondContact O-N 3.13Å
902N51Low51.4Low149 Ų149129.6 Ų129.680%0.79766%0.655SS**THydrogen-bonded Turntrans-67.7-13.1163.7-77.4-6.8000112T898T898-N902 WeakPolarHBondContact O-CB 3.35Å; T898-N902 PolarHBondContact O-N 2.89Å
903E50.2Low48.8Very low157 Ų157129.8 Ų129.873%0.73466%0.661SS**THydrogen-bonded Turntrans-121.151.8172.4-66.4-178.5168.600111.3K899 V900 T901K899-E903 PolarHBondContact O-N 3.18Å; V900-E903 CarbonylContact O-C 3.58Å; V900-E903 PolarHBondContact O-N 3.43Å; T901-E903 PolarHBondContact O-N 2.86Å
904R37Very low46.6Very low202 Ų202133.7 Ų133.776%0.76268%0.681SS**  trans-96.8140.8165.7-94.1-163.5-178.8-174.61.6112.8V900 T901V900-R904 PolarHBondContact O-N 2.97Å; T901-R904 PolarHBondContact O-N 3.13Å
905P49.3Very low44.8Very low100 Ų100132.4 Ų132.465%0.64969%0.689SS**  -121152.8-124.318.73.3000113.1L907P905-L907 PolarHBondContact O-N 2.86Å
906R43.3Very low43Very low251 Ų251132.2 Ų132.295%0.94770%0.699SS**  trans-73.8110.2159.2-63.8-178.6-171.1179.12.9107.8
907L41.4Very low41.8Very low147 Ų147130.9 Ų130.977%0.7770%0.702SS**  trans-65154.1156.5-107.292.7000108.6P905P905-L907 PolarHBondContact O-N 2.86Å
908P39.5Very low40.7Very low114 Ų114134.1 Ų134.174%0.7472%0.717SS**  -150.2-151.950.941.7-16.7000113.2
909P33.9Very low39.4Very low108 Ų108135.2 Ų135.270%0.70172%0.724SS**  -113.8165.6-110.131.7-9.9000116.6
910Q37.6Very low38.1Very low177 Ų177134.4 Ų134.483%0.82773%0.725SS**  trans16.8138.8150.6-68.1-177.9-17.700120.2
911P33.2Very low36.6Very low116 Ų116138.6 Ų138.675%0.75374%0.739SS**  -139.7151.473.716.58.9000114.2
912V30.9Very low35.5Very low115 Ų115143.4 Ų143.470%0.69776%0.756SS**  55.7118.284.4-168.10000109.7
913T26.8Very low34.3Very low103 Ų103145 Ų14563%0.63276%0.759SS**  -174161.361.9-25.10000110.1
914D29.6Very low33.2Very low140 Ų140146.8 Ų146.875%0.74977%0.767SS**  trans70.5130.4151.3-54.3-34.6000116.6
915S31.8Very low32.8Very low101 Ų101145.7 Ų145.771%0.70677%0.771SS**  cis-171.4121.739.751.10000106.2
916V32.1Very low31.7Very low140 Ų140145 Ų14585%0.84877%0.768SS**  90.614893.8160.70000112
917P37.8Very low30.8Very low100 Ų100138.3 Ų138.365%0.64976%0.755SS**  trans-121.4173.4-13139.4-27000113.5
918E33.8Very low30Very low188 Ų188137.8 Ų137.888%0.87975%0.753SS**  trans-148.3105149.6-111.1158.4-172.800107.9
919T27.4Very low29.5Very low102 Ų102140.4 Ų140.463%0.62676%0.761SS**  68.387.679.3-41.60000110.3
920I25.7Very low29.1Very low142 Ų142142.9 Ų142.973%0.72877%0.768SS**  67.2137.295.1-53.6164.8000112.9
921Q26.2Very low28.5Very low170 Ų170138.8 Ų138.879%0.79476%0.758SS**  trans112.8107154.5-57.8-175.8-21.400111.9
922E26.7Very low28.2Very low189 Ų189139 Ų13988%0.88376%0.757SS**  52.987.273.6-72.8-174.8169.300112.6
923E27.2Very low27.8Very low183 Ų183144.9 Ų144.986%0.85577%0.767SS**  trans-128.5119.7145.7-73.9177.8152.300103.1
924E25.5Very low27.7Very low194 Ų194147.3 Ų147.391%0.90778%0.776SS**  cis48.94934.8-76.3-156.6167.300114.2
925E28.9Very low27.4Very low180 Ų180145.6 Ų145.684%0.84178%0.775SS**  trans-83.698.9137.7-85.6-173150.800107.7
926S25.9Very low27.2Very low85 Ų85147.8 Ų147.859%0.59478%0.784SS**  70.498.672.491.30000113.1
927T24.3Very low27Very low111 Ų111145.3 Ų145.368%0.68178%0.778SS**  trans75.3113.4145.651.40000120
928N25.6Very low26.5Very low135 Ų135145.9 Ų145.972%0.72278%0.784SS**  65.686.6122.8-58.7-20.2000116.8
929N28.6Very low26.1Very low170 Ų170144 Ų14491%0.90978%0.781SS**  trans-12470.6140.2-81.3-35.8000109.4
930L24.6Very low26.1Very low160 Ų160147.1 Ų147.184%0.83879%0.793SS**  trans-66.3120152-172.496.2000107.2
931S26Very low26.2Very low90 Ų90147.6 Ų147.663%0.62980%0.795SS**  trans164.2102.6146.941.60000109.5
932T26.2Very low26.1Very low120 Ų120144.8 Ų144.874%0.73679%0.789SS**  54.4111.8100.159.30000112.4N934T932-N934 PolarHBondContact O-N 3.35Å
933R24.2Very low26.1Very low240 Ų240142.7 Ų142.791%0.90678%0.783SS**  37.784.694.6-84.2-172.9179.8173.30.8111
934N23.2Very low26Very low154 Ų154139.3 Ų139.382%0.82478%0.775SS**  trans-158.1140.4130.2-93.9-21.4000108.9T932T932-N934 PolarHBondContact O-N 3.35Å
935S24.2Very low26.1Very low104 Ų104136 Ų13673%0.72777%0.768SS**  trans-26.2134.1156.351.30000114.9
936V27.1Very low26Very low147 Ų147132.6 Ų132.689%0.89176%0.76SS**  -146.9133.5118-179.80000108.1
937A28Very low26.2Very low87 Ų87135.5 Ų135.572%0.71977%0.769SS**  trans-67.3143.5-172.800000114.8
938S26.9Very low26.4Very low112 Ų112141 Ų14178%0.78378%0.779SS**  trans-161.886.5144.958.60000111.3
939N26.9Very low26.8Very low150 Ų150139.3 Ų139.380%0.80278%0.777SS**  trans34.681.5147.7-56.7-8.2000118.4
940L26.2Very low27.2Very low167 Ų167138.5 Ų138.587%0.87477%0.773SS**  trans-74.6119.6146.4-103.6112.9000108.1T942L940-T942 PolarHBondContact O-N 3.03Å
941I27.6Very low28.2Very low152 Ų152135.6 Ų135.678%0.77976%0.764SS**  trans-69.394.6173.6-62.3167.2000106.9I943I941-I943 HydrophobicContact CG2-CG1 4.35Å; I941-I943 PolarHBondContact O-N 3.19Å
942T25Very low28.6Very low110 Ų110138.7 Ų138.768%0.67577%0.773SS**  trans-74.4104.8168.6-50.10000108.3L940 T944L940-T942 PolarHBondContact O-N 3.03Å; T942-T944 HydrophobicContact CG2-CG2 4.39Å; T942-T944 PolarHBondContact O-N 2.95Å
943I25.8Very low29Very low145 Ų145142.5 Ų142.574%0.74478%0.782SS**  trans-70.298.6169-59.3172.1000106.3I941I941-I943 HydrophobicContact CG2-CG1 4.35Å; I941-I943 PolarHBondContact O-N 3.19Å
944T24.5Very low29.3Very low113 Ų113140.1 Ų140.169%0.69378%0.781SS**  trans-89.8107.7172.518.20000107.7T942 T946T942-T944 HydrophobicContact CG2-CG2 4.39Å; T942-T944 PolarHBondContact O-N 2.95Å; T944-T946 PolarHBondContact O-N 2.86Å
945T27.8Very low29.6Very low124 Ų124139.4 Ų139.476%0.76178%0.783SS**  trans-74.2104.8168.449.10000107.9D947T945-D947 PolarHBondContact O-N 3.37Å
946T26.6Very low29.8Very low109 Ų109143.7 Ų143.767%0.66979%0.788SS**  trans-85.993.2173.250.80000109.1T944 Y948T944-T946 PolarHBondContact O-N 2.86Å; T946-Y948 PolarHBondContact O-N 2.99Å
947D30.2Very low29.9Very low146 Ų146141.1 Ų141.178%0.78178%0.777SS**  trans-76.2117163.2-93.5-26000109.3T945 S949T945-D947 PolarHBondContact O-N 3.37Å; D947-S949 PolarHBondContact O-N 3.25Å
948Y29.6Very low29.8Very low227 Ų227145 Ų14589%0.8978%0.784SS**SBendtrans-7962.5178.2-95-91000110.9T946T946-Y948 PolarHBondContact O-N 2.99Å
949S34.5Very low29.8Very low99 Ų99147.1 Ų147.169%0.69279%0.787SS**SBendtrans-164.652.717361.80000114.7D947D947-S949 PolarHBondContact O-N 3.25Å
950D37Very low29.9Very low153 Ų153147.3 Ų147.382%0.81882%0.824SS**  trans-175.4122.2131.9-125.7-28.5000111
951P45.5Very low30.1Very low99 Ų99146.3 Ų146.364%0.64382%0.822SS**  trans-92128.1177.833.3-25.2000109.9
952N33.6Very low30.2Very low154 Ų154146 Ų14682%0.82482%0.824SS**  trans95.679.4170.3-44.1-38.4000115.5
953Q34.1Very low30.5Very low200 Ų200148 Ų14894%0.93583%0.832SS**  trans-155.5132.2130.5-113.617119.200112.3
954E31.2Very low30.8Very low190 Ų190148.2 Ų148.289%0.88884%0.838SS**  trans-61.5135-170.1-70.2170.8139.900113.3K956E954-K956 PolarHBondContact O-N 3.02Å; E954-K956 VanDerWaalsContact O-N 3.08Å
955V30.5Very low31.2Very low140 Ų140150.4 Ų150.485%0.84885%0.847SS**  trans-62.5101.9178.7179.80000110.1
956K28.3Very low31.4Very low193 Ų193152.1 Ų152.184%0.83985%0.852SS**  trans-89.599.4161.4-82-176.8178175.40109E954 L958E954-K956 PolarHBondContact O-N 3.02Å; E954-K956 VanDerWaalsContact O-N 3.08Å; K956-L958 PolarHBondContact O-N 3.4Å; K956-L958 VanDerWaalsContact O-N 3.13Å
957S29.1Very low31.7Very low94 Ų94155.2 Ų155.266%0.65787%0.865SS**  trans-65.1101.5167.356.80000109.8
958L25.8Very low31.8Very low167 Ų167155.9 Ų155.987%0.87487%0.872SS**  trans-91.997.2164.4-90.9148.4000107.9K956K956-L958 PolarHBondContact O-N 3.4Å; K956-L958 VanDerWaalsContact O-N 3.13Å
959N26Very low32Very low157 Ų157150 Ų15084%0.8487%0.87SS**  trans-74.9124.1164.7-71.9-24000108.5
960G28.8Very low31.8Very low154 Ų154154.6 Ų154.6100%1.58889%0.887SS**  trans-1500167.300000108.5

Retrieved 960 of 960 residues in 604.1 ms (Link to these results)

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