A0A1S3LNV9_SALSA Loading...

Trafficking protein particle complex subunit 13

AlphaFold DB , UniProt , Accession A0A1S3LNV9, Species SALSA (Salmo salar, Atlantic salmon), Gene trappc13, Length 417 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low55.2Low237 Ų237145.5 Ų145.5100%1.16774%0.737SS**  0860-81.5-179.9174.100107.4V3M1-V3 PolarHBondContact O-N 2.87Å
2E31.7Very low58.1Low199 Ų199133.7 Ų133.793%0.9368%0.676SS**  trans-82.999.6166-79-178.2151.800106.6N4E2-N4 PolarHBondContact O-N 2.91Å
3V35.4Very low60.7Low120 Ų120125.8 Ų125.873%0.72764%0.644SS**  trans-67.7104.7168.5178.60000105.7M1 Q5M1-V3 PolarHBondContact O-N 2.87Å; V3-Q5 PolarHBondContact O-N 3.3Å
4N39.1Very low62.9Low163 Ų163117 Ų11787%0.87260%0.599SS**  trans-57.992.3164.4-114.6-19000106.8E2 A6E2-N4 PolarHBondContact O-N 2.91Å; N4-A6 PolarHBondContact O-N 2.98Å
5Q39.8Very low64.7Low175 Ų175117.7 Ų117.782%0.81860%0.596SS**  trans-57.2124.1169.4-82.8178.7-1200106.9V3 K7V3-Q5 PolarHBondContact O-N 3.3Å; Q5-K7 PolarHBondContact O-N 2.85Å
6A45.5Very low66.3Low92 Ų92112.1 Ų112.176%0.7657%0.57SS**  trans-49.7132.9173.800000108.7N4 Q8N4-A6 PolarHBondContact O-N 2.98Å; A6-Q8 PolarHBondContact O-N 3.46Å
7K60.4Low67.6Low209 Ų209112.2 Ų112.291%0.90957%0.569SS**  trans-54103.9174.2-90.9179.2174.5176.10107.6Q5 E9Q5-K7 PolarHBondContact O-N 2.85Å; K7-E9 PolarHBondContact O-N 2.94Å
8Q70.5Confident68.6Low117 Ų117108.1 Ų108.155%0.54755%0.545SS..PPolyproline II helixtrans-62.6123.4172.8-169.1170.315.800107.1A6 H10 L158A6-Q8 PolarHBondContact O-N 3.46Å; Q8-H10 PolarHBondContact O-CD2 3.33Å; Q8-H10 PolarHBondContact O-N 3.26Å; Q8-H10 PolarHBondContact O-NE2 2.98Å; Q8-L158 VanDerWaalsContact NE2-CD2 3.27Å
9E80.1Confident69.5Low184 Ų184106.6 Ų106.686%0.8654%0.539SS*.PPolyproline II helixtrans-70.2125.6174.7-72.9-173.8161.800108.6K7K7-E9 PolarHBondContact O-N 2.94Å
10H86.7Confident69.8Low62 Ų62102.9 Ų102.929%0.28752%0.522SS..PPolyproline II helixtrans-103.1142.6178.7-67.6-75.2000109.6Q8 L12 Y150 F160Q8-H10 PolarHBondContact O-CD2 3.33Å; Q8-H10 PolarHBondContact O-N 3.26Å; Q8-H10 PolarHBondContact O-NE2 2.98Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-Y150 WeakPolarHBondContact CA-OH 3.11Å; H10-Y150 PolarHBondContact ND1-OH 2.99Å; H10-F160 HydrophobicContact CB-CD1 4.11Å; H10-F160 HydrophobicContact CB-CE1 4.24Å; H10-F160 AromaticContact CG-CD1 3.67Å; H10-F160 AromaticContact ND1-CD1 3.6Å; H10-F160 WeakPolarHBondContact NE2-CB 3.39Å
11L87.6Confident70.1Confident43 Ų43102.2 Ų102.223%0.22552%0.515CS..SBendtrans-74.2-30.1177.6-59.9178.6000111.9D89 V94 Y150 T152L11-D89 PolarHBondContact O-N 2.79Å; L11-V94 HydrophobicContact CB-CG2 4.37Å; L11-V94 HydrophobicContact CD1-CG2 4.23Å; L11-Y150 HydrophobicContact CB-CE2 4.32Å; L11-Y150 HydrophobicContact CD1-CE2 4.39Å; L11-Y150 PolarHBondContact N-OH 2.84Å; L11-Y150 VanDerWaalsContact N-OH 3.13Å; L11-T152 HydrophobicContact CD1-CG2 4.07Å
12L90.4Very high72.2Confident3 Ų393.7 Ų93.72%0.01648%0.478CS..EExtended strand (participates in β ladder)trans-97.5141.6176.1-56.1-175.6000109.4H10 V86 H87 N88 V94 I97 L122 V148 Y150 F160H10-L12 VanDerWaalsContact C-N 3.34Å; L12-V86 HydrophobicContact CB-CG1 4Å; L12-V86 HydrophobicContact CD1-CG1 3.9Å; L12-V86 HydrophobicContact CG-CG1 4.43Å; L12-H87 CarbonylContact C-O 3.57Å; L12-H87 VanDerWaalsContact CA-O 3.3Å; L12-H87 WeakPolarHBondContact CA-O 3.49Å; L12-N88 HydrophobicContact CD2-CB 3.66Å; L12-V94 HydrophobicContact CD1-CG1 4.21Å; L12-V94 HydrophobicContact CD2-CB 4.33Å; L12-V94 HydrophobicContact CD2-CG1 4.48Å; L12-V94 HydrophobicContact CD2-CG2 4.01Å; L12-V94 HydrophobicContact CG-CG1 4.46Å; L12-I97 HydrophobicContact CD1-CG1 4.16Å; L12-I97 HydrophobicContact CD1-CG2 4.1Å; L12-L122 HydrophobicContact CD2-CD2 3.93Å; L12-V148 HydrophobicContact CD1-CG1 4.03Å; L12-Y150 HydrophobicContact CB-CE1 4.31Å; L12-Y150 HydrophobicContact CD1-CD1 3.59Å; L12-Y150 HydrophobicContact CD1-CD2 4.39Å; L12-Y150 HydrophobicContact CD1-CE1 4.18Å; L12-Y150 HydrophobicContact CD1-CG 3.7Å; L12-Y150 HydrophobicContact CG-CD1 4.06Å; L12-Y150 HydrophobicContact CG-CE1 4.16Å; L12-Y150 HydrophobicContact CG-CG 4.24Å; L12-F160 HydrophobicContact CB-CE1 4.16Å; L12-F160 HydrophobicContact CB-CZ 4.39Å
13A91.1Very high74.3Confident31 Ų3186.9 Ų86.926%0.25645%0.449SS..EExtended strand (participates in β ladder)trans-121.5145.8168.200000111.8V86 H87A13-V86 CarbonylContact O-C 3.59Å; A13-V86 WeakPolarHBondContact O-CA 3.33Å; A13-H87 WeakPolarHBondContact CB-CE1 3.28Å; A13-H87 WeakPolarHBondContact CB-NE2 3.44Å; A13-H87 PolarHBondContact N-O 3.49Å; A13-H87 PolarHBondContact O-CD2 3.33Å; A13-H87 PolarHBondContact O-N 3.37Å; A13-H87 PolarHBondContact O-NE2 3.38Å
14L91.3Very high76.3Confident3 Ų384.4 Ų84.42%0.01643%0.432CS..EExtended strand (participates in β ladder)trans-112.7122-171.4172.875.4000108.4V16 I84 S85 V86 C146 V148 F160 K162 F164L14-V16 HydrophobicContact CD1-CG2 4.34Å; L14-V16 HydrophobicContact CG-CG2 4.28Å; L14-I84 HydrophobicContact CD1-CG2 3.67Å; L14-S85 WeakPolarHBondContact CA-O 3.45Å; L14-V86 HydrophobicContact CD1-CG2 3.66Å; L14-C146 HydrophobicContact CD1-CB 4.32Å; L14-C146 HydrophobicContact CD2-CB 3.5Å; L14-C146 HydrophobicContact CG-CB 4.46Å; L14-V148 HydrophobicContact CD1-CG2 4.2Å; L14-F160 HydrophobicContact CB-CE2 3.7Å; L14-F160 HydrophobicContact CB-CZ 4.1Å; L14-F160 HydrophobicContact CD2-CE2 4.3Å; L14-K162 HydrophobicContact CB-CD 4.37Å; L14-K162 HydrophobicContact CD2-CB 3.95Å; L14-K162 HydrophobicContact CD2-CD 4.08Å; L14-K162 HydrophobicContact CD2-CG 4.06Å; L14-K162 PolarHBondContact O-NZ 3.04Å; L14-F164 HydrophobicContact CD2-CE2 4.46Å
15K91Very high78.3Confident128 Ų12880.6 Ų80.656%0.55741%0.408SS*.EExtended strand (participates in β ladder)trans-115.6135.8172.8-68.8179.4-178.2167.60108.9S85 H87K15-S85 PolarHBondContact N-O 3.13Å; K15-S85 PolarHBondContact O-N 3.02Å; K15-H87 WeakPolarHBondContact CE-NE2 3.32Å
16V89.2Confident80Confident28 Ų2875.6 Ų75.617%0.1739%0.389CS..EExtended strand (participates in β ladder)trans-129.3130.2178179.60000107.6L14 S82 Y83 I84 L144 F164L14-V16 HydrophobicContact CD1-CG2 4.34Å; L14-V16 HydrophobicContact CG-CG2 4.28Å; V16-S82 WeakPolarHBondContact CG1-OG 3.3Å; V16-Y83 WeakPolarHBondContact CA-O 3.33Å; V16-I84 HydrophobicContact CG1-CG1 4.37Å; V16-I84 HydrophobicContact CG2-CG1 4.25Å; V16-I84 HydrophobicContact CG2-CG2 4.3Å; V16-L144 HydrophobicContact CG1-CD2 3.94Å; V16-F164 HydrophobicContact CB-CD1 4.34Å; V16-F164 HydrophobicContact CB-CD2 4.2Å; V16-F164 HydrophobicContact CB-CE1 3.93Å; V16-F164 HydrophobicContact CB-CE2 3.79Å; V16-F164 HydrophobicContact CB-CG 4.46Å; V16-F164 HydrophobicContact CB-CZ 3.63Å; V16-F164 HydrophobicContact CG1-CD2 4.39Å; V16-F164 HydrophobicContact CG1-CE2 4.43Å; V16-F164 HydrophobicContact CG2-CD2 4.04Å; V16-F164 HydrophobicContact CG2-CE1 4.3Å; V16-F164 HydrophobicContact CG2-CE2 3.34Å; V16-F164 HydrophobicContact CG2-CZ 3.5Å; V16-F164 VanDerWaalsContact CG2-CZ 3.5Å
17M88.1Confident81.4Confident113 Ų11372.3 Ų72.356%0.55736%0.359SS*.EExtended strand (participates in β ladder)trans-131.6130.8179.9-63.3-165.2-67.300109.6L19 S82 Y83M17-L19 PolarHBondContact O-N 3.42Å; M17-S82 CarbonylContact O-C 3.52Å; M17-S82 WeakPolarHBondContact O-CA 3.44Å; M17-S82 PolarHBondContact O-OG 2.86Å; M17-Y83 HydrophobicContact CE-CD1 3.97Å; M17-Y83 HydrophobicContact CE-CE1 4.24Å; M17-Y83 PolarHBondContact N-O 2.96Å; M17-Y83 PolarHBondContact O-N 3.45Å
18R86.6Confident82.4Confident38 Ų3869.2 Ų69.214%0.14335%0.349CS..EExtended strand (participates in β ladder)trans-65.8129.4167.9-177.4-177.6175.1-179.10.6108.1T20 F71 N73 I74 F80R18-T20 HydrophobicContact CB-CG2 4.48Å; R18-T20 HydrophobicContact CG-CG2 3.93Å; R18-T20 PolarHBondContact O-N 3.05Å; R18-T20 VanDerWaalsContact O-N 3.14Å; R18-F71 HydrophobicContact CB-CE2 4.33Å; R18-F71 HydrophobicContact CB-CZ 4.26Å; R18-F71 PolarHBondContact NH1-O 2.82Å; R18-N73 PolarHBondContact NH1-O 3.47Å; R18-N73 PolarHBondContact NH2-O 3.13Å; R18-I74 VanDerWaalsContact CZ-CG1 3.47Å; R18-F80 HydrophobicContact CG-CE2 4.35Å
19L84.9Confident82.7Confident80 Ų8065.1 Ų65.142%0.41933%0.333SS..  trans-83.286.6171.9-66.7-180000108.6M17 S81 V131M17-L19 PolarHBondContact O-N 3.42Å; L19-S81 PolarHBondContact N-O 3.14Å; L19-V131 HydrophobicContact CD1-CG1 3.47Å; L19-V131 VanDerWaalsContact CD1-CG1 3.47Å; L19-V131 HydrophobicContact CD1-CG2 4.23Å
20T76.2Confident82.6Confident32 Ų3260.2 Ų60.220%0.19632%0.316CS..PPolyproline II helixtrans-80.8143.3173.152.40000110.3R18 P68R18-T20 HydrophobicContact CB-CG2 4.48Å; R18-T20 HydrophobicContact CG-CG2 3.93Å; R18-T20 PolarHBondContact O-N 3.05Å; R18-T20 VanDerWaalsContact O-N 3.14Å; T20-P68 HydrophobicContact CG2-CG 3.89Å; T20-P68 WeakPolarHBondContact OG1-CG 3.5Å
21K76.1Confident82.2Confident90 Ų9063 Ų6339%0.39134%0.337SS..PPolyproline II helixtrans-69.4147.4167.9-64.4-163.5-171.6174.60110.2G286 E287K21-G286 PolarHBondContact NZ-O 3.3Å; K21-E287 HydrophobicContact CB-CG 4.39Å; K21-E287 HydrophobicContact CD-CG 3.56Å; K21-E287 HydrophobicContact CG-CG 3.99Å
22P75.8Confident81.7Confident58 Ų5862.9 Ų62.938%0.37734%0.339SS..PPolyproline II helixtrans-56.2152.1170.2-20.331.8000110.1L65 T66 L67 L285P22-L65 HydrophobicContact CB-CB 4.06Å; P22-L65 HydrophobicContact CB-CD2 4.18Å; P22-L65 HydrophobicContact CB-CG 4.49Å; P22-T66 CarbonylContact C-O 3.56Å; P22-T66 WeakPolarHBondContact CA-O 3.43Å; P22-L67 HydrophobicContact CG-CD2 4.33Å; P22-L285 WeakPolarHBondContact O-CD1 3.26Å
23T75.5Confident81.2Confident55 Ų5569.3 Ų69.334%0.33737%0.369SS..EExtended strand (participates in β ladder)trans-121.5144.3172.851.30000110.4F25 L65 T66T23-F25 PolarHBondContact O-N 3.47Å; T23-L65 WeakPolarHBondContact O-CA 3.48Å; T23-T66 PolarHBondContact N-O 2.8Å; T23-T66 PolarHBondContact O-N 3.38Å; T23-T66 PolarHBondContact O-OG1 3.06Å; T23-T66 PolarHBondContact OG1-O 2.83Å
24L77.2Confident80.5Confident68 Ų6875.2 Ų75.236%0.35640%0.396SS..EExtended strand (participates in β ladder)trans-66.1120.8170.7-72.4168.9000108.7T26 L65L24-T26 PolarHBondContact O-N 3.17Å; L24-L65 HydrophobicContact CD2-CD2 3.66Å; L24-L65 HydrophobicContact CD2-CG 4.3Å; L24-L65 HydrophobicContact CG-CD2 4.02Å
25F80.1Confident80.2Confident84 Ų8486.1 Ų86.137%0.36844%0.438SS..  trans-73116.1173.7-179.8-95.9000108.5T23 N27 S51 G62 M64 T66T23-F25 PolarHBondContact O-N 3.47Å; F25-N27 WeakPolarHBondContact CE1-OD1 3.16Å; F25-S51 WeakPolarHBondContact CD1-OG 3.48Å; F25-S51 WeakPolarHBondContact CE1-OG 3.17Å; F25-G62 WeakPolarHBondContact O-CA 3.33Å; F25-M64 PolarHBondContact N-O 2.93Å; F25-T66 HydrophobicContact CB-CG2 3.69Å; F25-T66 HydrophobicContact CD2-CG2 4.16Å; F25-T66 HydrophobicContact CG-CG2 4.17Å
26T75.9Confident79.9Confident70 Ų7083.7 Ų83.743%0.42943%0.43SS..  trans-108.1130.8-179.549.70000109.5L24 M60L24-T26 PolarHBondContact O-N 3.17Å; T26-M60 WeakPolarHBondContact CG2-O 3.44Å
27N74.8Confident79.5Confident22 Ų2291.2 Ų91.212%0.11847%0.469CS..  trans-80.1140.1168.9-83.1-22.2000109.6F25 P29 M46 D49 S51 T52F25-N27 WeakPolarHBondContact CE1-OD1 3.16Å; N27-P29 VanDerWaalsContact O-CD 3.28Å; N27-P29 WeakPolarHBondContact O-CD 3.41Å; N27-M46 HydrophobicContact CB-SD 3.87Å; N27-D49 PolarHBondContact ND2-OD1 3.44Å; N27-D49 PolarHBondContact ND2-OD2 3.24Å; N27-S51 PolarHBondContact ND2-OG 2.66Å; N27-T52 PolarHBondContact ND2-OG1 3.08Å
28M80.5Confident79.1Confident144 Ų14488 Ų8871%0.70946%0.456SS*.  trans-86.8109.2171-168.5146.578.200108.2V30 M60M28-V30 PolarHBondContact O-N 3.48Å; M28-M60 HydrophobicContact CB-CE 4.17Å; M28-M60 HydrophobicContact CG-CE 3.96Å; M28-M60 HydrophobicContact SD-CE 4.08Å
29P77.9Confident78.9Confident31 Ų3187.1 Ų87.120%0.20146%0.459CS..  trans-67.9124.8-178.828.4-32.5000108.4N27 M60N27-P29 VanDerWaalsContact O-CD 3.28Å; N27-P29 WeakPolarHBondContact O-CD 3.41Å; P29-M60 HydrophobicContact CG-CG 3.97Å
30V78.4Confident78.8Confident82 Ų8287.4 Ų87.450%0.49746%0.461SS..  trans-97110.6170.4-179.20000106.8M28 F42M28-V30 PolarHBondContact O-N 3.48Å; V30-F42 HydrophobicContact CB-CB 4.48Å; V30-F42 HydrophobicContact CB-CG 4.47Å; V30-F42 HydrophobicContact CG1-CD2 4.1Å; V30-F42 HydrophobicContact CG1-CE2 4.37Å; V30-F42 HydrophobicContact CG1-CG 4.38Å
31T77Confident79.2Confident119 Ų11990.1 Ų90.173%0.7347%0.474SS*.  trans-90.5142.2174.156.30000109.8
32C78.1Confident79.6Confident42 Ų4289.5 Ų89.528%0.28447%0.471SS..  trans-130.9149.8171.9-69.60000108.2D36 F42C32-D36 HydrophobicContact CB-CB 4.17Å; C32-F42 VanDerWaalsContact SG-CD2 3.52Å
33E80.3Confident79.9Confident137 Ų13788 Ų8864%0.6447%0.467SS*.  trans-73.1152.8169.6-64.9-167.5174.500109.7R35 D36E33-R35 PolarHBondContact O-N 3.28Å; E33-D36 PolarHBondContact N-OD2 3.05Å; E33-D36 WeakPolarHBondContact O-CB 3.28Å; E33-D36 PolarHBondContact O-N 2.85Å
34D76.6Confident80.3Confident155 Ų15591.6 Ų91.683%0.82947%0.474SS*.THydrogen-bonded Turntrans-57.5-19.6179.1-65.4-31000113.4
35R83.3Confident80.7Confident233 Ų23392.3 Ų92.388%0.87948%0.478SS*.THydrogen-bonded Turntrans-90.9-11.3179.6-63.7-176.2177.2-1710.4113.6E33E33-R35 PolarHBondContact O-N 3.28Å
36D84.4Confident80.9Confident76 Ų7690.2 Ų90.241%0.40647%0.47SS..SBendtrans-73150.6179.3-66.7-32.4000110.6C32 E33 P38 G39C32-D36 HydrophobicContact CB-CB 4.17Å; E33-D36 PolarHBondContact N-OD2 3.05Å; E33-D36 WeakPolarHBondContact O-CB 3.28Å; E33-D36 PolarHBondContact O-N 2.85Å; D36-P38 VanDerWaalsContact C-N 3.27Å; D36-P38 VanDerWaalsContact O-N 3.14Å; D36-G39 PolarHBondContact O-N 3.27Å
37L82.2Confident81.2Confident187 Ų18792.8 Ų92.898%0.97948%0.475SS*.THydrogen-bonded Turntrans-45.9-40.5176.8-93.6144.1000114.8
38P79.3Confident81.7Confident44 Ų4498.4 Ų98.429%0.28650%0.5SS..THydrogen-bonded Turntrans-75.5-20.8177.5-14.631.4000114D36 D40 L41 F42D36-P38 VanDerWaalsContact C-N 3.27Å; D36-P38 VanDerWaalsContact O-N 3.14Å; P38-D40 PolarHBondContact O-N 2.95Å; P38-L41 WeakPolarHBondContact O-CB 3.32Å; P38-L41 PolarHBondContact O-N 2.59Å; P38-F42 HydrophobicContact CB-CD2 3.66Å; P38-F42 HydrophobicContact CB-CE2 3.32Å; P38-F42 HydrophobicContact CB-CZ 4.15Å; P38-F42 HydrophobicContact CG-CD2 4.25Å; P38-F42 HydrophobicContact CG-CE2 3.53Å; P38-F42 HydrophobicContact CG-CZ 4.34Å
39G83.1Confident81.8Confident20 Ų2093.7 Ų93.721%0.20648%0.478CS..THydrogen-bonded Turntrans45.3-125.9-172.300000112.5D36 L41D36-G39 PolarHBondContact O-N 3.27Å; G39-L41 VanDerWaalsContact C-N 3.33Å; G39-L41 PolarHBondContact O-N 3.04Å
40D82.8Confident82Confident86 Ų8698.1 Ų98.146%0.4651%0.507SS..THydrogen-bonded Turntrans-84.34.9179.6-178.150000114.4P38 F42 G43 R44P38-D40 PolarHBondContact O-N 2.95Å; D40-F42 PolarHBondContact O-N 3.43Å; D40-G43 PolarHBondContact O-N 2.92Å; D40-R44 PolarHBondContact O-N 2.79Å; D40-R44 IonicContact OD2-NH2 3.58Å
41L84.6Confident82.1Confident90 Ų9094.4 Ų94.447%0.47149%0.485SS..Hα-helixtrans-57.9-46.2-175.2-178.167.3000112.2P38 G39 R44 L45P38-L41 WeakPolarHBondContact O-CB 3.32Å; P38-L41 PolarHBondContact O-N 2.59Å; G39-L41 VanDerWaalsContact C-N 3.33Å; G39-L41 PolarHBondContact O-N 3.04Å; L41-R44 PolarHBondContact O-N 3.19Å; L41-L45 HydrophobicContact CG-CD1 4.11Å; L41-L45 WeakPolarHBondContact O-CG 3.28Å; L41-L45 PolarHBondContact O-N 3.34Å
42F83.5Confident82.4Confident76 Ų7689.3 Ų89.333%0.33345%0.453SS..Hα-helixtrans-69-36.3-179.4-63.8-57.7000112.7V30 C32 P38 D40 R44 L45 M46V30-F42 HydrophobicContact CB-CB 4.48Å; V30-F42 HydrophobicContact CB-CG 4.47Å; V30-F42 HydrophobicContact CG1-CD2 4.1Å; V30-F42 HydrophobicContact CG1-CE2 4.37Å; V30-F42 HydrophobicContact CG1-CG 4.38Å; C32-F42 VanDerWaalsContact SG-CD2 3.52Å; P38-F42 HydrophobicContact CB-CD2 3.66Å; P38-F42 HydrophobicContact CB-CE2 3.32Å; P38-F42 HydrophobicContact CB-CZ 4.15Å; P38-F42 HydrophobicContact CG-CD2 4.25Å; P38-F42 HydrophobicContact CG-CE2 3.53Å; P38-F42 HydrophobicContact CG-CZ 4.34Å; D40-F42 PolarHBondContact O-N 3.43Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 3.19Å; F42-L45 HydrophobicContact CD1-CD1 4.33Å; F42-L45 PolarHBondContact O-N 3.05Å; F42-M46 WeakPolarHBondContact O-CG 3.16Å; F42-M46 PolarHBondContact O-N 3.35Å
43G82.3Confident82.6Confident27 Ų2790 Ų9028%0.27845%0.454SS..Hα-helixtrans-61.9-40.6173.600000112D40 K47D40-G43 PolarHBondContact O-N 2.92Å; G43-K47 WeakPolarHBondContact O-CG 3.19Å; G43-K47 PolarHBondContact O-N 3.31Å
44R84.1Confident82.7Confident130 Ų13092.5 Ų92.549%0.49146%0.462SS..Hα-helixtrans-67.7-43.8175.4-166.1178.7-52.7155.811.2112.7D40 L41 F42 M46 K47 E48D40-R44 PolarHBondContact O-N 2.79Å; D40-R44 IonicContact OD2-NH2 3.58Å; L41-R44 PolarHBondContact O-N 3.19Å; F42-R44 VanDerWaalsContact C-N 3.32Å; F42-R44 PolarHBondContact O-N 3.19Å; R44-M46 VanDerWaalsContact C-N 3.3Å; R44-M46 PolarHBondContact O-N 3.24Å; R44-K47 WeakPolarHBondContact O-CB 3.41Å; R44-K47 PolarHBondContact O-N 3.45Å; R44-K47 VanDerWaalsContact O-N 3.13Å; R44-E48 PolarHBondContact O-N 3.16Å
45L85.5Confident82.9Confident84 Ų8488.4 Ų88.444%0.4446%0.457SS..Hα-helixtrans-60.5-40.2176.4-72.1169.6000111.6L41 F42 K47 E48 D49L41-L45 HydrophobicContact CG-CD1 4.11Å; L41-L45 WeakPolarHBondContact O-CG 3.28Å; L41-L45 PolarHBondContact O-N 3.34Å; F42-L45 HydrophobicContact CD1-CD1 4.33Å; F42-L45 PolarHBondContact O-N 3.05Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.35Å; L45-E48 PolarHBondContact O-N 3.31Å; L45-D49 PolarHBondContact O-N 2.8Å
46M83.6Confident82.9Confident39 Ų3978.2 Ų78.219%0.19242%0.423CS..Hα-helixtrans-64.4-35174.8-72.1-67.210100112.9N27 F42 R44 D49 T52 E57N27-M46 HydrophobicContact CB-SD 3.87Å; F42-M46 WeakPolarHBondContact O-CG 3.16Å; F42-M46 PolarHBondContact O-N 3.35Å; R44-M46 VanDerWaalsContact C-N 3.3Å; R44-M46 PolarHBondContact O-N 3.24Å; M46-D49 PolarHBondContact O-N 2.82Å; M46-T52 WeakPolarHBondContact O-CB 3.46Å; M46-T52 WeakPolarHBondContact O-CG2 3.35Å; M46-T52 PolarHBondContact O-OG1 3.44Å; M46-E57 HydrophobicContact CB-CB 4.47Å
47K83.2Confident82.7Confident125 Ų12576.8 Ų76.854%0.54341%0.414SS..Hα-helixtrans-70.4-31.5175.4-76.4173.8179.2171.80113.6G43 R44 L45 E57G43-K47 WeakPolarHBondContact O-CG 3.19Å; G43-K47 PolarHBondContact O-N 3.31Å; R44-K47 WeakPolarHBondContact O-CB 3.41Å; R44-K47 PolarHBondContact O-N 3.45Å; R44-K47 VanDerWaalsContact O-N 3.13Å; L45-K47 VanDerWaalsContact C-N 3.33Å; L45-K47 PolarHBondContact O-N 3.35Å; K47-E57 HydrophobicContact CG-CG 3.68Å
48E85.4Confident82.4Confident139 Ų13971.6 Ų71.665%0.6540%0.398SS*.Hα-helixtrans-82.7-17.7177.7-70.9179.6-176.100112.4R44 L45R44-E48 PolarHBondContact O-N 3.16Å; L45-E48 PolarHBondContact O-N 3.31Å
49D82.7Confident82.2Confident46 Ų4674.3 Ų74.325%0.24641%0.409CS..  trans-68.8123.2177.6-169.2-48.2000111.2N27 L45 M46 S51 T52N27-D49 PolarHBondContact ND2-OD1 3.44Å; N27-D49 PolarHBondContact ND2-OD2 3.24Å; L45-D49 PolarHBondContact O-N 2.8Å; M46-D49 PolarHBondContact O-N 2.82Å; D49-S51 PolarHBondContact O-N 2.94Å; D49-S51 WeakPolarHBondContact OD1-CB 3.45Å; D49-S51 PolarHBondContact OD1-N 3.24Å; D49-S51 PolarHBondContact OD1-OG 3.21Å; D49-T52 PolarHBondContact O-N 3.28Å
50P82.6Confident81.9Confident123 Ų12378.3 Ų78.380%0.79942%0.424SS*.THydrogen-bonded Turntrans-68.7-13.1-177.529.2-36.7000114.3
51S80.6Confident81.4Confident5 Ų578.2 Ų78.24%0.03542%0.423CS..THydrogen-bonded Turntrans-90.7-12.8179.269.90000113.8F25 N27 D49 E63F25-S51 WeakPolarHBondContact CD1-OG 3.48Å; F25-S51 WeakPolarHBondContact CE1-OG 3.17Å; N27-S51 PolarHBondContact ND2-OG 2.66Å; D49-S51 PolarHBondContact O-N 2.94Å; D49-S51 WeakPolarHBondContact OD1-CB 3.45Å; D49-S51 PolarHBondContact OD1-N 3.24Å; D49-S51 PolarHBondContact OD1-OG 3.21Å; S51-E63 PolarHBondContact O-N 3.46Å; S51-E63 VanDerWaalsContact O-N 3.16Å
52T81.6Confident81Confident12 Ų1274.4 Ų74.47%0.07441%0.405CS..BIsolated β-bridgetrans-84.4137.9178.2-520000111.3N27 M46 D49 K54 E57N27-T52 PolarHBondContact ND2-OG1 3.08Å; M46-T52 WeakPolarHBondContact O-CB 3.46Å; M46-T52 WeakPolarHBondContact O-CG2 3.35Å; M46-T52 PolarHBondContact O-OG1 3.44Å; D49-T52 PolarHBondContact O-N 3.28Å; T52-K54 PolarHBondContact O-N 3.24Å; T52-E57 HydrophobicContact CG2-CB 4.01Å; T52-E57 HydrophobicContact CG2-CG 3.85Å
53I83.4Confident80.7Confident56 Ų5677.6 Ų77.629%0.28742%0.421SS..PPolyproline II helixtrans-75.4123.4174.6-58.4177.3000109.8G55 A56 L61 E63I53-G55 PolarHBondContact O-N 3.41Å; I53-A56 HydrophobicContact CB-CB 4.15Å; I53-A56 HydrophobicContact CG2-CB 4.11Å; I53-A56 PolarHBondContact O-N 2.86Å; I53-L61 HydrophobicContact CD1-CB 3.73Å; I53-L61 HydrophobicContact CG1-CB 4.5Å; I53-E63 HydrophobicContact CG1-CB 4.13Å
54K82.1Confident80.7Confident189 Ų18981.4 Ų81.482%0.82243%0.433SS*.THydrogen-bonded Turntrans-59.1128.4177.7-65.5-176.9-179.9178.80111.4T52 A56T52-K54 PolarHBondContact O-N 3.24Å; K54-A56 VanDerWaalsContact C-N 3.29Å
55G81.4Confident80.6Confident70 Ų7080 Ų8072%0.72243%0.434SS*.THydrogen-bonded Turntrans81.7-1.8-177.100000115.2I53 E57I53-G55 PolarHBondContact O-N 3.41Å; G55-E57 VanDerWaalsContact C-OE2 3.24Å; G55-E57 VanDerWaalsContact CA-OE2 3.28Å; G55-E57 WeakPolarHBondContact CA-OE2 3.37Å; G55-E57 PolarHBondContact N-OE1 2.64Å; G55-E57 PolarHBondContact N-OE2 2.98Å
56A81.6Confident80.3Confident19 Ų1977.9 Ų77.916%0.15743%0.425CS..  trans-12529.2176.300000111.5I53 K54 A58 L59I53-A56 HydrophobicContact CB-CB 4.15Å; I53-A56 HydrophobicContact CG2-CB 4.11Å; I53-A56 PolarHBondContact O-N 2.86Å; K54-A56 VanDerWaalsContact C-N 3.29Å; A56-A58 PolarHBondContact O-N 3.24Å; A56-L59 HydrophobicContact CB-CD1 4.1Å; A56-L59 WeakPolarHBondContact O-CB 3.02Å; A56-L59 PolarHBondContact O-N 3.35Å
57E81.2Confident79.8Confident46 Ų4681.5 Ų81.522%0.21544%0.444CS..THydrogen-bonded Turntrans-67.5-21.9-170.9-53.789.8165.200113.3M46 K47 T52 G55 L59M46-E57 HydrophobicContact CB-CB 4.47Å; K47-E57 HydrophobicContact CG-CG 3.68Å; T52-E57 HydrophobicContact CG2-CB 4.01Å; T52-E57 HydrophobicContact CG2-CG 3.85Å; G55-E57 VanDerWaalsContact C-OE2 3.24Å; G55-E57 VanDerWaalsContact CA-OE2 3.28Å; G55-E57 WeakPolarHBondContact CA-OE2 3.37Å; G55-E57 PolarHBondContact N-OE1 2.64Å; G55-E57 PolarHBondContact N-OE2 2.98Å; E57-L59 VanDerWaalsContact C-N 3.31Å
58A75.1Confident79.1Confident78 Ų7877.9 Ų77.965%0.64543%0.434SS*.THydrogen-bonded Turntrans-83-6.4173.900000113.3A56A56-A58 PolarHBondContact O-N 3.24Å
59L76.6Confident77.8Confident100 Ų10080.8 Ų80.852%0.52445%0.447SS..SBendtrans-101.1143.8179-57.5177000109.4A56 E57 L61A56-L59 HydrophobicContact CB-CD1 4.1Å; A56-L59 WeakPolarHBondContact O-CB 3.02Å; A56-L59 PolarHBondContact O-N 3.35Å; E57-L59 VanDerWaalsContact C-N 3.31Å; L59-L61 HydrophobicContact CB-CB 4.5Å; L59-L61 HydrophobicContact CB-CD1 3.88Å; L59-L61 HydrophobicContact CB-CG 3.89Å; L59-L61 HydrophobicContact CD1-CD1 3.84Å; L59-L61 PolarHBondContact O-N 3.05Å
60M75.6Confident76.9Confident104 Ų10485 Ų8551%0.51247%0.47SS..  trans-7555.8174.2-67.3-174.778.200111.3T26 M28 P29T26-M60 WeakPolarHBondContact CG2-O 3.44Å; M28-M60 HydrophobicContact CB-CE 4.17Å; M28-M60 HydrophobicContact CG-CE 3.96Å; M28-M60 HydrophobicContact SD-CE 4.08Å; P29-M60 HydrophobicContact CG-CG 3.97Å
61L73.4Confident76.1Confident85 Ų8584.1 Ų84.145%0.44545%0.454SS..  trans-114.4136.6-178.6-62.5175000110I53 L59I53-L61 HydrophobicContact CD1-CB 3.73Å; I53-L61 HydrophobicContact CG1-CB 4.5Å; L59-L61 HydrophobicContact CB-CB 4.5Å; L59-L61 HydrophobicContact CB-CD1 3.88Å; L59-L61 HydrophobicContact CB-CG 3.89Å; L59-L61 HydrophobicContact CD1-CD1 3.84Å; L59-L61 PolarHBondContact O-N 3.05Å
62G74.8Confident75.7Confident9 Ų986.1 Ų86.19%0.09348%0.475CS..BIsolated β-bridgetrans-121.7148.4-179.300000112.2F25F25-G62 WeakPolarHBondContact O-CA 3.33Å
63E78.3Confident75.8Confident143 Ų14389.7 Ų89.767%0.66849%0.494SS*.  trans-104.4-18.6174.8-161.1173.1171.400112.6S51 I53S51-E63 PolarHBondContact O-N 3.46Å; S51-E63 VanDerWaalsContact O-N 3.16Å; I53-E63 HydrophobicContact CG1-CB 4.13Å
64M82.4Confident76.1Confident107 Ų10787.1 Ų87.153%0.52748%0.48SS..  trans-91.7131.1-175.4-167.6175.7-179.600111.8F25F25-M64 PolarHBondContact N-O 2.93Å
65L81.8Confident76.5Confident100 Ų10079.4 Ų79.452%0.52445%0.447SS..EExtended strand (participates in β ladder)trans-85.8128.4169.5-68.4171.8000109.9P22 T23 L24 L285P22-L65 HydrophobicContact CB-CB 4.06Å; P22-L65 HydrophobicContact CB-CD2 4.18Å; P22-L65 HydrophobicContact CB-CG 4.49Å; T23-L65 WeakPolarHBondContact O-CA 3.48Å; L24-L65 HydrophobicContact CD2-CD2 3.66Å; L24-L65 HydrophobicContact CD2-CG 4.3Å; L24-L65 HydrophobicContact CG-CD2 4.02Å; L65-L285 HydrophobicContact CD2-CD1 4.25Å
66T78.6Confident77.1Confident41 Ų4177.3 Ų77.325%0.25242%0.419SS..EExtended strand (participates in β ladder)trans-121.3145175.553.50000109.8P22 T23 F25P22-T66 CarbonylContact C-O 3.56Å; P22-T66 WeakPolarHBondContact CA-O 3.43Å; T23-T66 PolarHBondContact N-O 2.8Å; T23-T66 PolarHBondContact O-N 3.38Å; T23-T66 PolarHBondContact O-OG1 3.06Å; T23-T66 PolarHBondContact OG1-O 2.83Å; F25-T66 HydrophobicContact CB-CG2 3.69Å; F25-T66 HydrophobicContact CD2-CG2 4.16Å; F25-T66 HydrophobicContact CG-CG2 4.17Å
67L73.8Confident77.5Confident114 Ų11476.6 Ų76.660%0.59741%0.414SS*.  trans-81.8132.6167-73.5167.2000108.1P22 Q69P22-L67 HydrophobicContact CG-CD2 4.33Å; L67-Q69 PolarHBondContact O-N 3.34Å
68P67.5Low78Confident50 Ų5074.9 Ų74.933%0.32541%0.406SS..  trans-59.2127.2179.520.7-30000110.4T20 N70T20-P68 HydrophobicContact CG2-CG 3.89Å; T20-P68 WeakPolarHBondContact OG1-CG 3.5Å; P68-N70 PolarHBondContact O-N 2.82Å
69Q58.3Low78.7Confident199 Ų19974.7 Ų74.793%0.9340%0.397SS*.SBendtrans-71.7-18.2-178.1-66.8-173.4-9.100113L67L67-Q69 PolarHBondContact O-N 3.34Å
70N65.1Low79.3Confident136 Ų13670 Ų7073%0.72737%0.372SS*.SBendtrans-110.6154.2-179.5-75.1-22.1000111.4P68 G72P68-N70 PolarHBondContact O-N 2.82Å; N70-G72 PolarHBondContact O-N 3.22Å
71F64.4Low79.9Confident104 Ų10466.1 Ų66.146%0.45636%0.355SS..  trans-57.3-12.6-178.3-146.3-97.5000114.3R18 F166R18-F71 HydrophobicContact CB-CE2 4.33Å; R18-F71 HydrophobicContact CB-CZ 4.26Å; R18-F71 PolarHBondContact NH1-O 2.82Å; F71-F166 HydrophobicContact CD1-CB 4.36Å; F71-F166 HydrophobicContact CE1-CB 3.85Å
72G73.9Confident80.8Confident46 Ų4662.1 Ų62.147%0.47433%0.334SS..  trans67.5168.4176.200000113.1N70N70-G72 PolarHBondContact O-N 3.22Å
73N83.4Confident81.6Confident87 Ų8764.5 Ų64.547%0.46534%0.341SS..  trans-77.4151.4166-67.4-35.9000109.1R18 F75 L169R18-N73 PolarHBondContact NH1-O 3.47Å; R18-N73 PolarHBondContact NH2-O 3.13Å; N73-F75 HydrophobicContact CB-CE1 4.24Å; N73-F75 HydrophobicContact CB-CE2 3.82Å; N73-F75 HydrophobicContact CB-CZ 3.63Å; N73-L169 HydrophobicContact CB-CD1 4.14Å
74I88.6Confident82.2Confident2 Ų257.8 Ų57.81%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-118.4127.7169.3-64.6166.5000105.6R18 F80 V136 F166 V168 L169R18-I74 VanDerWaalsContact CZ-CG1 3.47Å; I74-F80 HydrophobicContact CD1-CD2 3.75Å; I74-F80 HydrophobicContact CD1-CE2 4.1Å; I74-V136 HydrophobicContact CG2-CG2 3.9Å; I74-F166 HydrophobicContact CD1-CB 4.22Å; I74-F166 HydrophobicContact CD1-CD2 3.35Å; I74-F166 HydrophobicContact CD1-CE2 3.76Å; I74-F166 HydrophobicContact CD1-CG 3.91Å; I74-V168 HydrophobicContact CB-CG2 4.48Å; I74-V168 HydrophobicContact CG2-CG2 4.09Å; I74-V168 CarbonylContact O-C 3.54Å; I74-V168 WeakPolarHBondContact O-CA 3.44Å; I74-L169 PolarHBondContact O-N 2.8Å
75F91.6Very high82.7Confident27 Ų2753.3 Ų53.312%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-105.7150.3179.9-60-77.2000112N73 G77 E78 L169 P171 T202N73-F75 HydrophobicContact CB-CE1 4.24Å; N73-F75 HydrophobicContact CB-CE2 3.82Å; N73-F75 HydrophobicContact CB-CZ 3.63Å; F75-G77 PolarHBondContact O-N 2.88Å; F75-E78 HydrophobicContact CB-CG 4.17Å; F75-E78 PolarHBondContact N-OE2 3.4Å; F75-E78 WeakPolarHBondContact O-CB 3.45Å; F75-E78 PolarHBondContact O-N 3.41Å; F75-L169 WeakPolarHBondContact CA-O 3.39Å; F75-L169 HydrophobicContact CD1-CB 3.83Å; F75-L169 HydrophobicContact CE1-CB 3.92Å; F75-L169 HydrophobicContact CE1-CD1 4.29Å; F75-P171 HydrophobicContact CB-CB 3.74Å; F75-P171 HydrophobicContact CB-CG 3.96Å; F75-P171 HydrophobicContact CD1-CB 4.03Å; F75-P171 HydrophobicContact CG-CB 4.01Å; F75-T202 HydrophobicContact CD1-CG2 3.83Å; F75-T202 HydrophobicContact CD2-CG2 4.39Å; F75-T202 HydrophobicContact CE1-CG2 3.45Å; F75-T202 VanDerWaalsContact CE1-CG2 3.45Å; F75-T202 HydrophobicContact CE2-CG2 4.05Å; F75-T202 HydrophobicContact CG-CG2 4.29Å; F75-T202 HydrophobicContact CZ-CG2 3.57Å
76L93.3Very high83.2Confident26 Ų2648.6 Ų48.614%0.13626%0.264CS..THydrogen-bonded Turntrans-54131.8171.4179.772.3000110.5E78 K137 I139 V168 L169 P171 W281 L291L76-E78 VanDerWaalsContact C-N 3.34Å; L76-K137 WeakPolarHBondContact CD1-O 3.38Å; L76-I139 HydrophobicContact CB-CG2 4.09Å; L76-I139 HydrophobicContact CD1-CG2 4.34Å; L76-I139 HydrophobicContact CD2-CG2 4.07Å; L76-I139 HydrophobicContact CG-CG2 4.41Å; L76-V168 HydrophobicContact CB-CG1 4.48Å; L76-L169 PolarHBondContact N-O 2.92Å; L76-P171 VanDerWaalsContact O-CG 3.32Å; L76-P171 WeakPolarHBondContact O-CG 3.4Å; L76-W281 WeakPolarHBondContact O-CH2 3.45Å; L76-L291 HydrophobicContact CD2-CD1 3.56Å; L76-L291 HydrophobicContact CG-CD1 4.15Å
77G91.1Very high83.8Confident5 Ų547.6 Ų47.65%0.05226%0.257CS..THydrogen-bonded Turntrans89.8-9.3179.100000115F75 V136 G289 R290F75-G77 PolarHBondContact O-N 2.88Å; G77-V136 PolarHBondContact N-O 3.13Å; G77-G289 VanDerWaalsContact O-CA 3.31Å; G77-G289 WeakPolarHBondContact O-CA 3.25Å; G77-R290 WeakPolarHBondContact CA-O 3.44Å; G77-R290 PolarHBondContact O-N 2.87Å
78E90.4Very high84.7Confident10 Ų1042.2 Ų42.25%0.04723%0.228CC..BIsolated β-bridgetrans-81.2162.2170.7-64179.9157.100111.3F75 L76 V136F75-E78 HydrophobicContact CB-CG 4.17Å; F75-E78 PolarHBondContact N-OE2 3.4Å; F75-E78 WeakPolarHBondContact O-CB 3.45Å; F75-E78 PolarHBondContact O-N 3.41Å; L76-E78 VanDerWaalsContact C-N 3.34Å; E78-V136 WeakPolarHBondContact O-CB 3.26Å; E78-V136 WeakPolarHBondContact O-CG2 3.47Å; E78-V136 PolarHBondContact O-N 3.12Å
79T89.7Confident85.6Confident73 Ų7344.7 Ų44.745%0.44824%0.239SC..EExtended strand (participates in β ladder)trans-91115.8171.4-56.70000110S81 H133 H134T79-S81 PolarHBondContact O-N 2.89Å; T79-H133 HydrophobicContact CG2-CB 4.13Å; T79-H134 CarbonylContact C-O 3.59Å; T79-H134 WeakPolarHBondContact CA-O 3.46Å
80F89.4Confident87Confident3 Ų336 Ų361%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-74.5117.6165.7173.4-104.5000109.6R18 I74 I132 H133 H134 V136 L144 F166R18-F80 HydrophobicContact CG-CE2 4.35Å; I74-F80 HydrophobicContact CD1-CD2 3.75Å; I74-F80 HydrophobicContact CD1-CE2 4.1Å; F80-I132 HydrophobicContact CE1-CD1 4.21Å; F80-H133 CarbonylContact O-C 3.52Å; F80-H133 WeakPolarHBondContact O-CA 3.49Å; F80-H134 PolarHBondContact N-O 3Å; F80-H134 PolarHBondContact O-N 2.85Å; F80-V136 HydrophobicContact CB-CG2 3.84Å; F80-L144 HydrophobicContact CE1-CD2 4.29Å; F80-L144 HydrophobicContact CZ-CD2 4.33Å; F80-F166 HydrophobicContact CD1-CZ 4.43Å; F80-F166 HydrophobicContact CD2-CE2 4.48Å; F80-F166 HydrophobicContact CD2-CZ 4.28Å; F80-F166 HydrophobicContact CE1-CE1 4.41Å; F80-F166 HydrophobicContact CE1-CZ 4.4Å; F80-F166 HydrophobicContact CE2-CE1 4.24Å; F80-F166 HydrophobicContact CE2-CZ 4.26Å; F80-F166 HydrophobicContact CG-CZ 4.36Å; F80-F166 HydrophobicContact CZ-CE1 4.07Å; F80-F166 HydrophobicContact CZ-CZ 4.31Å
81S89.3Confident88.1Confident22 Ų2235.8 Ų35.815%0.15420%0.204CC..EExtended strand (participates in β ladder)trans-113.9130.4175.4-58.10000110.2L19 T79 I132 H133L19-S81 PolarHBondContact N-O 3.14Å; T79-S81 PolarHBondContact O-N 2.89Å; S81-I132 WeakPolarHBondContact CA-O 3.49Å; S81-H133 PolarHBondContact OG-CD2 2.82Å
82S90.6Very high89.3Confident1 Ų134.8 Ų34.81%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-138.6136.4179.1-168.80000111.2V16 M17 V131 I132V16-S82 WeakPolarHBondContact CG1-OG 3.3Å; M17-S82 CarbonylContact O-C 3.52Å; M17-S82 WeakPolarHBondContact O-CA 3.44Å; M17-S82 PolarHBondContact O-OG 2.86Å; S82-V131 WeakPolarHBondContact O-CA 3.41Å; S82-I132 PolarHBondContact N-O 2.74Å; S82-I132 WeakPolarHBondContact O-CG1 3.41Å; S82-I132 PolarHBondContact O-N 2.89Å
83Y91.4Very high90Very high59 Ų5935.4 Ų35.423%0.23119%0.191CC..EExtended strand (participates in β ladder)trans-94131.3169.1175.5-103.3000109.1V16 M17 D129 D130 V131V16-Y83 WeakPolarHBondContact CA-O 3.33Å; M17-Y83 HydrophobicContact CE-CD1 3.97Å; M17-Y83 HydrophobicContact CE-CE1 4.24Å; M17-Y83 PolarHBondContact N-O 2.96Å; M17-Y83 PolarHBondContact O-N 3.45Å; Y83-D129 HydrophobicContact CE2-CB 3.66Å; Y83-D129 VanDerWaalsContact CZ-CG 3.48Å; Y83-D129 PolarHBondContact OH-OD1 2.9Å; Y83-D129 PolarHBondContact OH-OD2 3.17Å; Y83-D130 CarbonylContact C-O 3.57Å; Y83-D130 WeakPolarHBondContact CA-O 3.39Å; Y83-V131 HydrophobicContact CD2-CG2 3.89Å
84I91.6Very high90.3Very high1 Ų131.2 Ų31.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-120.3122.3179.9-59173.6000106.2L14 V16 V99 A101 D129 D130 I132L14-I84 HydrophobicContact CD1-CG2 3.67Å; V16-I84 HydrophobicContact CG1-CG1 4.37Å; V16-I84 HydrophobicContact CG2-CG1 4.25Å; V16-I84 HydrophobicContact CG2-CG2 4.3Å; I84-V99 HydrophobicContact CG2-CG1 4.41Å; I84-A101 HydrophobicContact CD1-CB 3.7Å; I84-D129 CarbonylContact O-C 3.59Å; I84-D129 WeakPolarHBondContact O-CA 3.38Å; I84-D130 PolarHBondContact N-O 2.87Å; I84-D130 PolarHBondContact O-N 3.03Å; I84-I132 HydrophobicContact CD1-CD1 3.99Å; I84-I132 HydrophobicContact CD1-CG1 4.18Å; I84-I132 HydrophobicContact CD1-CG2 4.13Å
85S92.3Very high90.5Very high13 Ų1335.8 Ų35.89%0.09119%0.189CC..EExtended strand (participates in β ladder)trans-125.6126.2177.4-172.10000110.3L14 K15 I128 D129L14-S85 WeakPolarHBondContact CA-O 3.45Å; K15-S85 PolarHBondContact N-O 3.13Å; K15-S85 PolarHBondContact O-N 3.02Å; S85-I128 CarbonylContact C-O 3.54Å; S85-I128 WeakPolarHBondContact CA-O 3.2Å; S85-D129 WeakPolarHBondContact CB-OD1 3.33Å; S85-D129 PolarHBondContact OG-OD1 2.66Å
86V92.1Very high90.4Very high1 Ų138.5 Ų38.51%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-107112.8172.2-178.60000107.6L12 A13 L14 V99 C127 I128 V148L12-V86 HydrophobicContact CB-CG1 4Å; L12-V86 HydrophobicContact CD1-CG1 3.9Å; L12-V86 HydrophobicContact CG-CG1 4.43Å; A13-V86 CarbonylContact O-C 3.59Å; A13-V86 WeakPolarHBondContact O-CA 3.33Å; L14-V86 HydrophobicContact CD1-CG2 3.66Å; V86-V99 HydrophobicContact CG2-CG1 4.29Å; V86-V99 HydrophobicContact CG2-CG2 3.76Å; V86-C127 CarbonylContact O-C 3.59Å; V86-C127 VanDerWaalsContact O-CA 3.22Å; V86-C127 WeakPolarHBondContact O-CA 3.22Å; V86-I128 HydrophobicContact CB-CB 4.46Å; V86-I128 PolarHBondContact N-O 2.85Å; V86-I128 PolarHBondContact O-N 3.3Å; V86-V148 HydrophobicContact CG1-CG1 4.15Å; V86-V148 HydrophobicContact CG1-CG2 4.49Å; V86-V148 HydrophobicContact CG2-CG2 3.78Å
87H92.8Very high90.2Very high21 Ų2137.3 Ų37.310%0.09720%0.198CC..EExtended strand (participates in β ladder)trans-107.4142.7-178.661.490.1000110.9L12 A13 K15 D89 C127L12-H87 CarbonylContact C-O 3.57Å; L12-H87 VanDerWaalsContact CA-O 3.3Å; L12-H87 WeakPolarHBondContact CA-O 3.49Å; A13-H87 WeakPolarHBondContact CB-CE1 3.28Å; A13-H87 WeakPolarHBondContact CB-NE2 3.44Å; A13-H87 PolarHBondContact N-O 3.49Å; A13-H87 PolarHBondContact O-CD2 3.33Å; A13-H87 PolarHBondContact O-N 3.37Å; A13-H87 PolarHBondContact O-NE2 3.38Å; K15-H87 WeakPolarHBondContact CE-NE2 3.32Å; H87-D89 IonicContact CE1-OD1 3.24Å; H87-D89 PolarHBondContact CE1-OD1 3.19Å; H87-D89 VanDerWaalsContact CE1-OD1 3.24Å; H87-D89 IonicContact CE1-OD2 2.94Å; H87-D89 PolarHBondContact CE1-OD2 3.1Å; H87-D89 IonicContact CG-OD1 2.96Å; H87-D89 IonicContact ND1-OD1 3.99Å; H87-D89 PolarHBondContact ND1-OD1 3.41Å; H87-D89 IonicContact ND1-OD2 3.79Å; H87-D89 PolarHBondContact ND1-OD2 2.72Å; H87-C127 HydrophobicContact CB-CB 4.37Å
88N91.9Very high90.2Very high1 Ų138.6 Ų38.61%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-93.794.4170.3-173.44.3000109.7L12 S90 Q92 L122 K123 E125 S126L12-N88 HydrophobicContact CD2-CB 3.66Å; N88-S90 PolarHBondContact O-N 2.64Å; N88-S90 WeakPolarHBondContact OD1-CB 3.39Å; N88-S90 PolarHBondContact OD1-N 2.89Å; N88-S90 VanDerWaalsContact OD1-N 3.08Å; N88-S90 PolarHBondContact OD1-OG 3.42Å; N88-Q92 PolarHBondContact ND2-O 3.01Å; N88-L122 HydrophobicContact CB-CD2 3.89Å; N88-L122 HydrophobicContact CB-CG 4.06Å; N88-L122 PolarHBondContact ND2-O 3.14Å; N88-L122 VanDerWaalsContact ND2-O 3.1Å; N88-K123 WeakPolarHBondContact CB-O 3.18Å; N88-K123 PolarHBondContact ND2-O 2.88Å; N88-E125 PolarHBondContact O-N 2.99Å; N88-S126 PolarHBondContact N-O 2.76Å
89D87.3Confident90.2Very high101 Ų10139.4 Ų39.454%0.5421%0.209SC..  trans-81.31.4174.7-83.57.6000112.6L11 H87L11-D89 PolarHBondContact O-N 2.79Å; H87-D89 IonicContact CE1-OD1 3.24Å; H87-D89 PolarHBondContact CE1-OD1 3.19Å; H87-D89 VanDerWaalsContact CE1-OD1 3.24Å; H87-D89 IonicContact CE1-OD2 2.94Å; H87-D89 PolarHBondContact CE1-OD2 3.1Å; H87-D89 IonicContact CG-OD1 2.96Å; H87-D89 IonicContact ND1-OD1 3.99Å; H87-D89 PolarHBondContact ND1-OD1 3.41Å; H87-D89 IonicContact ND1-OD2 3.79Å; H87-D89 PolarHBondContact ND1-OD2 2.72Å
90S87.6Confident90.3Very high17 Ų1740.3 Ų40.312%0.11921%0.207CC..SBendtrans-91.3161.1179.385.20000111.7N88 Q92 P124N88-S90 PolarHBondContact O-N 2.64Å; N88-S90 WeakPolarHBondContact OD1-CB 3.39Å; N88-S90 PolarHBondContact OD1-N 2.89Å; N88-S90 VanDerWaalsContact OD1-N 3.08Å; N88-S90 PolarHBondContact OD1-OG 3.42Å; S90-Q92 PolarHBondContact O-N 2.83Å; S90-Q92 PolarHBondContact OG-N 3.17Å; S90-Q92 PolarHBondContact OG-O 2.83Å; S90-P124 WeakPolarHBondContact O-CB 2.93Å
91T87.8Confident90.5Very high132 Ų13240.2 Ų40.281%0.8121%0.207SC*.SBendtrans-80.4-0.2172.554.70000113.3P124T91-P124 WeakPolarHBondContact O-CG 2.83Å
92Q88.6Confident90.6Very high83 Ų8340.2 Ų40.239%0.38821%0.205SC..SBendtrans-106.6148.5-174.8-62.3-178.237.800111.6N88 S90N88-Q92 PolarHBondContact ND2-O 3.01Å; S90-Q92 PolarHBondContact O-N 2.83Å; S90-Q92 PolarHBondContact OG-N 3.17Å; S90-Q92 PolarHBondContact OG-O 2.83Å
93E88.9Confident90.8Very high58 Ų5840.1 Ų40.127%0.27121%0.205SC..  trans-78.2135.2171.8-166.2-168.2128.500110.3K95 E121E93-K95 WeakPolarHBondContact OE1-CE 3.38Å; E93-K95 IonicContact OE1-NZ 2.64Å; E93-E121 HydrophobicContact CG-CB 4.43Å
94V90.7Very high90.9Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-113.5143.9-179.1-177.90000109.6L11 L12 I97 E121 L122 Y150 T151L11-V94 HydrophobicContact CB-CG2 4.37Å; L11-V94 HydrophobicContact CD1-CG2 4.23Å; L12-V94 HydrophobicContact CD1-CG1 4.21Å; L12-V94 HydrophobicContact CD2-CB 4.33Å; L12-V94 HydrophobicContact CD2-CG1 4.48Å; L12-V94 HydrophobicContact CD2-CG2 4.01Å; L12-V94 HydrophobicContact CG-CG1 4.46Å; V94-I97 HydrophobicContact CG1-CD1 4.27Å; V94-I97 HydrophobicContact CG1-CG1 4.04Å; V94-I97 WeakPolarHBondContact O-CD1 3.3Å; V94-E121 CarbonylContact O-C 3.58Å; V94-E121 WeakPolarHBondContact O-CA 3.34Å; V94-L122 PolarHBondContact N-O 2.87Å; V94-L122 VanDerWaalsContact N-O 3.14Å; V94-L122 PolarHBondContact O-N 2.99Å; V94-Y150 HydrophobicContact CG1-CD2 3.3Å; V94-Y150 HydrophobicContact CG1-CE2 4.21Å; V94-Y150 HydrophobicContact CG1-CG 3.71Å; V94-T151 WeakPolarHBondContact CG1-O 3.45Å
95K91.3Very high91Very high97 Ų9741.8 Ų41.842%0.42222%0.215SC..EExtended strand (participates in β ladder)trans-122.3162.3-175.9-63.1-173178.4-174.80112.8E93 I97 T120 T151E93-K95 WeakPolarHBondContact OE1-CE 3.38Å; E93-K95 IonicContact OE1-NZ 2.64Å; K95-I97 PolarHBondContact O-N 2.95Å; K95-T120 VanDerWaalsContact CA-O 3.29Å; K95-T120 WeakPolarHBondContact CA-O 3.42Å; K95-T120 WeakPolarHBondContact CB-O 3.23Å; K95-T151 PolarHBondContact N-O 3.34Å; K95-T151 PolarHBondContact O-N 3.44Å
96D90.2Very high90.8Very high84 Ų8445.9 Ų45.945%0.44924%0.244SC..EExtended strand (participates in β ladder)trans50.948.8176.2-54.5-45.4000113.7L98 V119 T120 T151D96-L98 PolarHBondContact O-N 2.78Å; D96-V119 PolarHBondContact N-O 2.85Å; D96-T120 PolarHBondContact N-O 2.97Å; D96-T151 PolarHBondContact OD2-OG1 2.87Å
97I90.3Very high90.7Very high1 Ų149.6 Ų49.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-76.6125-178.6-52.186.4000109.2L12 V94 K95 V99 T118 V119 L122 I128 V148 S149L12-I97 HydrophobicContact CD1-CG1 4.16Å; L12-I97 HydrophobicContact CD1-CG2 4.1Å; V94-I97 HydrophobicContact CG1-CD1 4.27Å; V94-I97 HydrophobicContact CG1-CG1 4.04Å; V94-I97 WeakPolarHBondContact O-CD1 3.3Å; K95-I97 PolarHBondContact O-N 2.95Å; I97-V99 HydrophobicContact CG2-CG2 4.25Å; I97-T118 CarbonylContact O-C 3.56Å; I97-T118 WeakPolarHBondContact O-CA 3.4Å; I97-V119 HydrophobicContact CB-CB 4.32Å; I97-V119 HydrophobicContact CD1-CG1 4.49Å; I97-V119 WeakPolarHBondContact CD1-O 3.35Å; I97-V119 PolarHBondContact N-O 2.81Å; I97-V119 PolarHBondContact O-N 2.69Å; I97-L122 HydrophobicContact CD1-CB 3.63Å; I97-L122 HydrophobicContact CG1-CB 4.28Å; I97-I128 HydrophobicContact CB-CD1 3.91Å; I97-I128 HydrophobicContact CG1-CD1 4.36Å; I97-I128 HydrophobicContact CG2-CD1 3.71Å; I97-V148 HydrophobicContact CG2-CG1 4.08Å; I97-S149 WeakPolarHBondContact CA-O 3.49Å
98L90.4Very high90.7Very high32 Ų3252.8 Ų52.817%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-124.3119.9174.9176.768.3000109.2D96 K100 T118 V148 S149D96-L98 PolarHBondContact O-N 2.78Å; L98-K100 HydrophobicContact CG-CG 4.39Å; L98-T118 HydrophobicContact CB-CG2 4.38Å; L98-T118 HydrophobicContact CD1-CG2 4.22Å; L98-V148 WeakPolarHBondContact O-CA 3.36Å; L98-S149 WeakPolarHBondContact CB-OG 3.43Å; L98-S149 PolarHBondContact N-O 2.8Å; L98-S149 PolarHBondContact O-N 2.81Å
99V90.3Very high90.7Very high27 Ų2759.6 Ų59.616%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-105.5127.7177.3-173.80000108.5I84 V86 I97I84-V99 HydrophobicContact CG2-CG1 4.41Å; V86-V99 HydrophobicContact CG2-CG1 4.29Å; V86-V99 HydrophobicContact CG2-CG2 3.76Å; I97-V99 HydrophobicContact CG2-CG2 4.25Å
100K91.5Very high90.9Very high92 Ų9257 Ų5740%0.430%0.297SS..EExtended strand (participates in β ladder)trans-123.6131175.9-71.6-177.3174.1174.50109.7L98 C146 A147L98-K100 HydrophobicContact CG-CG 4.39Å; K100-C146 CarbonylContact O-C 3.59Å; K100-C146 WeakPolarHBondContact O-CA 3.33Å; K100-A147 HydrophobicContact CB-CB 4.46Å; K100-A147 PolarHBondContact N-O 2.87Å; K100-A147 PolarHBondContact O-N 2.74Å
101A92.9Very high91Very high2 Ų260.6 Ų60.62%0.01732%0.315CS..EExtended strand (participates in β ladder)trans-119.7110.9175.800000108.8I84 L112 S113 I132 L144 V145I84-A101 HydrophobicContact CD1-CB 3.7Å; A101-L112 WeakPolarHBondContact O-CA 3.4Å; A101-L112 PolarHBondContact O-N 3.46Å; A101-S113 PolarHBondContact O-N 2.87Å; A101-I132 HydrophobicContact CB-CG2 4.46Å; A101-L144 HydrophobicContact CB-CD1 4.46Å; A101-V145 WeakPolarHBondContact CA-O 3.4Å
102D93.2Very high91Very high21 Ų2155.7 Ų55.711%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-111.9134.8175-63.2-52000109.8R109 L110 V145D102-R109 HydrophobicContact CB-CG 4.18Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NE 2.7Å; D102-R109 PolarHBondContact OD2-NE 3.2Å; D102-R109 IonicContact OD2-NH2 3.99Å; D102-R109 PolarHBondContact OD2-NH2 2.81Å; D102-L110 CarbonylContact C-O 3.55Å; D102-L110 VanDerWaalsContact CA-O 3.29Å; D102-L110 WeakPolarHBondContact CA-O 3.44Å; D102-V145 HydrophobicContact CB-CB 4.42Å; D102-V145 PolarHBondContact N-O 3.48Å; D102-V145 PolarHBondContact O-N 2.78Å
103L94.1Very high90.5Very high0 Ų052.6 Ų52.60%027%0.271CS..EExtended strand (participates in β ladder)trans-98.2117.9169.6-17470.2000109.9R109 L110 L112 H134 H142 L144 F166L103-R109 CarbonylContact O-C 3.55Å; L103-R109 WeakPolarHBondContact O-CA 3.41Å; L103-L110 HydrophobicContact CB-CB 4.45Å; L103-L110 PolarHBondContact N-O 2.82Å; L103-L110 PolarHBondContact O-N 2.85Å; L103-L112 HydrophobicContact CB-CD1 3.57Å; L103-L112 HydrophobicContact CB-CG 3.94Å; L103-L112 HydrophobicContact CD2-CD1 4.22Å; L103-L112 HydrophobicContact CG-CD1 4.39Å; L103-H134 WeakPolarHBondContact CD2-CD2 3.48Å; L103-H134 WeakPolarHBondContact CD2-NE2 3.29Å; L103-H142 HydrophobicContact CD1-CB 4.25Å; L103-L144 HydrophobicContact CD1-CB 4.34Å; L103-F166 HydrophobicContact CD1-CE1 3.88Å; L103-F166 HydrophobicContact CD1-CZ 3.7Å
104Q93.9Very high89.1Confident83 Ų8353.8 Ų53.839%0.38829%0.291SS..EExtended strand (participates in β ladder)trans-98.4119174.5-176.3176.1-4.600109.7H142 I143Q104-H142 WeakPolarHBondContact O-CA 3.45Å; Q104-I143 HydrophobicContact CB-CB 4.39Å; Q104-I143 PolarHBondContact N-O 3.02Å; Q104-I143 PolarHBondContact O-N 2.88Å
105T92.9Very high87.6Confident11 Ų1156.5 Ų56.57%0.06731%0.31CS..  trans-100.8-178171.280.70000109.8S107 Q108 E138 H142T105-S107 VanDerWaalsContact C-N 3.25Å; T105-S107 PolarHBondContact O-N 3.35Å; T105-S107 PolarHBondContact OG1-N 2.87Å; T105-S107 PolarHBondContact OG1-OG 3.44Å; T105-Q108 HydrophobicContact CG2-CG 4.45Å; T105-Q108 PolarHBondContact N-O 3.03Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.41Å; T105-Q108 PolarHBondContact OG1-N 2.91Å; T105-Q108 VanDerWaalsContact OG1-N 3.11Å; T105-Q108 PolarHBondContact OG1-O 3.38Å; T105-E138 WeakPolarHBondContact CB-OE2 3.22Å; T105-E138 PolarHBondContact OG1-OE2 3.18Å; T105-H142 VanDerWaalsContact CG2-CE1 3.47Å; T105-H142 WeakPolarHBondContact CG2-CE1 3.45Å; T105-H142 WeakPolarHBondContact CG2-ND1 3.42Å
106S88.4Confident86.2Confident99 Ų9957.2 Ų57.269%0.69232%0.318SS*.SBendtrans-65.7-27.417346.40000113.6
107S90.8Very high85.1Confident80 Ų8059.2 Ų59.256%0.55933%0.328SS*.SBendtrans-103.9-31.9-173.579.20000112.9T105 E138T105-S107 VanDerWaalsContact C-N 3.25Å; T105-S107 PolarHBondContact O-N 3.35Å; T105-S107 PolarHBondContact OG1-N 2.87Å; T105-S107 PolarHBondContact OG1-OG 3.44Å; S107-E138 PolarHBondContact OG-OE1 2.9Å; S107-E138 PolarHBondContact OG-OE2 2.91Å
108Q91.8Very high84.4Confident88 Ų8863 Ų6341%0.41135%0.352SS..  trans-151.9165.6-165.864.3-173.5-9.300113T105 L110 E138T105-Q108 HydrophobicContact CG2-CG 4.45Å; T105-Q108 PolarHBondContact N-O 3.03Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.41Å; T105-Q108 PolarHBondContact OG1-N 2.91Å; T105-Q108 VanDerWaalsContact OG1-N 3.11Å; T105-Q108 PolarHBondContact OG1-O 3.38Å; Q108-L110 HydrophobicContact CG-CD2 4.18Å; Q108-L110 HydrophobicContact CG-CG 4.12Å; Q108-E138 PolarHBondContact NE2-OE1 2.86Å
109R92Very high84Confident143 Ų14363.8 Ų63.854%0.5436%0.358SS..EExtended strand (participates in β ladder)trans-118.7118.2171.1-174.9175.8178.4172.7-1.5109.1D102 L103D102-R109 HydrophobicContact CB-CG 4.18Å; D102-R109 IonicContact OD2-CZ 3.79Å; D102-R109 IonicContact OD2-NE 2.7Å; D102-R109 PolarHBondContact OD2-NE 3.2Å; D102-R109 IonicContact OD2-NH2 3.99Å; D102-R109 PolarHBondContact OD2-NH2 2.81Å; L103-R109 CarbonylContact O-C 3.55Å; L103-R109 WeakPolarHBondContact O-CA 3.41Å
110L91.2Very high83.6Confident48 Ų4867.4 Ų67.425%0.25138%0.38SS..EExtended strand (participates in β ladder)trans-104.7132-177.8-60.3172.5000109.1D102 L103 Q108 L112 H134D102-L110 CarbonylContact C-O 3.55Å; D102-L110 VanDerWaalsContact CA-O 3.29Å; D102-L110 WeakPolarHBondContact CA-O 3.44Å; L103-L110 HydrophobicContact CB-CB 4.45Å; L103-L110 PolarHBondContact N-O 2.82Å; L103-L110 PolarHBondContact O-N 2.85Å; Q108-L110 HydrophobicContact CG-CD2 4.18Å; Q108-L110 HydrophobicContact CG-CG 4.12Å; L110-L112 HydrophobicContact CB-CD2 4.44Å; L110-H134 VanDerWaalsContact CD1-CE1 3.42Å; L110-H134 WeakPolarHBondContact CD1-CE1 3.44Å
111N90.9Very high83.5Confident92 Ų9267.1 Ų67.149%0.49238%0.38SS..EExtended strand (participates in β ladder)trans-84.8123.2170.1-174.1-22.6000108.9S113N111-S113 PolarHBondContact OD1-N 3.13Å; N111-S113 PolarHBondContact OD1-OG 3.13Å
112L87.1Confident83.4Confident28 Ų2867.4 Ų67.415%0.14738%0.382CS..  trans-108.10.9-178.8-60.5-172.9000113.6A101 L103 L110 A114 I132 H134 L144A101-L112 WeakPolarHBondContact O-CA 3.4Å; A101-L112 PolarHBondContact O-N 3.46Å; L103-L112 HydrophobicContact CB-CD1 3.57Å; L103-L112 HydrophobicContact CB-CG 3.94Å; L103-L112 HydrophobicContact CD2-CD1 4.22Å; L103-L112 HydrophobicContact CG-CD1 4.39Å; L110-L112 HydrophobicContact CB-CD2 4.44Å; L112-A114 PolarHBondContact O-N 3.34Å; L112-I132 HydrophobicContact CB-CB 4.47Å; L112-I132 HydrophobicContact CB-CD1 4.42Å; L112-I132 HydrophobicContact CB-CG2 4.35Å; L112-I132 HydrophobicContact CD1-CD1 3.89Å; L112-I132 WeakPolarHBondContact O-CG2 3.44Å; L112-H134 HydrophobicContact CD1-CB 3.99Å; L112-H134 HydrophobicContact CD2-CB 4.15Å; L112-L144 HydrophobicContact CD1-CD1 4.45Å
113S78.1Confident83.3Confident19 Ų1972 Ų7213%0.13340%0.4CS..  trans-67.6118.9-179.660.20000110.8A101 N111 S115A101-S113 PolarHBondContact O-N 2.87Å; N111-S113 PolarHBondContact OD1-N 3.13Å; N111-S113 PolarHBondContact OD1-OG 3.13Å; S113-S115 VanDerWaalsContact C-N 3.33Å
114A59Low83.1Confident83 Ų8374.5 Ų74.569%0.68642%0.417SS*.SBendtrans-74.1-25.2-179.800000112.7L112L112-A114 PolarHBondContact O-N 3.34Å
115S58.4Low82.9Confident57 Ų5778.3 Ų78.340%0.39944%0.435SS..  trans-132.2125.2178.465.50000111.4S113 N117S113-S115 VanDerWaalsContact C-N 3.33Å; S115-N117 PolarHBondContact O-N 2.77Å
116N63.1Low82.8Confident112 Ų11279.9 Ų79.960%0.59945%0.446SS*.  trans-84.314.6167.8-73.2-31.6000111.4T118N116-T118 PolarHBondContact O-N 3.35Å
117N67.3Low82.9Confident125 Ų12578.3 Ų78.367%0.66844%0.435SS*.  trans-75.1115.5-174-74.2-2.6000108.8S115 V119S115-N117 PolarHBondContact O-N 2.77Å; N117-V119 PolarHBondContact O-N 3.06Å
118T75.4Confident82.8Confident81 Ų8176 Ų7650%0.49742%0.416SS..  trans-65.9119.5167.8500000108.2I97 L98 N116 T120I97-T118 CarbonylContact O-C 3.56Å; I97-T118 WeakPolarHBondContact O-CA 3.4Å; L98-T118 HydrophobicContact CB-CG2 4.38Å; L98-T118 HydrophobicContact CD1-CG2 4.22Å; N116-T118 PolarHBondContact O-N 3.35Å; T118-T120 PolarHBondContact O-N 2.84Å
119V82.1Confident82.7Confident49 Ų4975.5 Ų75.530%0.29742%0.416SS..EExtended strand (participates in β ladder)trans-74.9119.7171.7178.20000107.3D96 I97 N117 E121 I128D96-V119 PolarHBondContact N-O 2.85Å; I97-V119 HydrophobicContact CB-CB 4.32Å; I97-V119 HydrophobicContact CD1-CG1 4.49Å; I97-V119 WeakPolarHBondContact CD1-O 3.35Å; I97-V119 PolarHBondContact N-O 2.81Å; I97-V119 PolarHBondContact O-N 2.69Å; N117-V119 PolarHBondContact O-N 3.06Å; V119-E121 WeakPolarHBondContact CG1-O 3.2Å; V119-I128 HydrophobicContact CB-CD1 3.78Å; V119-I128 HydrophobicContact CG1-CD1 3.93Å; V119-I128 HydrophobicContact CG1-CG1 4.33Å; V119-I128 HydrophobicContact CG2-CD1 3.73Å; V119-I128 HydrophobicContact CG2-CG1 4.16Å; V119-I128 HydrophobicContact CG2-CG2 4.28Å
120T82.6Confident82.6Confident103 Ų10370.4 Ų70.463%0.63240%0.399SS*.EExtended strand (participates in β ladder)trans-66.7-41.5-170.741.60000112.9K95 D96 T118K95-T120 VanDerWaalsContact CA-O 3.29Å; K95-T120 WeakPolarHBondContact CA-O 3.42Å; K95-T120 WeakPolarHBondContact CB-O 3.23Å; D96-T120 PolarHBondContact N-O 2.97Å; T118-T120 PolarHBondContact O-N 2.84Å
121E89.3Confident82.6Confident85 Ų8570.7 Ų70.740%0.39740%0.403SS..EExtended strand (participates in β ladder)trans-142.6147.2175.287.2-175.2-149.500111.2E93 V94 V119 K123E93-E121 HydrophobicContact CG-CB 4.43Å; V94-E121 CarbonylContact O-C 3.58Å; V94-E121 WeakPolarHBondContact O-CA 3.34Å; V119-E121 WeakPolarHBondContact CG1-O 3.2Å; E121-K123 WeakPolarHBondContact OE1-CE 3.39Å; E121-K123 IonicContact OE1-NZ 3.24Å
122L90.2Very high82.6Confident9 Ų966.5 Ų66.55%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-130112.8170.2-170.465.3000109.3L12 N88 V94 I97 I128L12-L122 HydrophobicContact CD2-CD2 3.93Å; N88-L122 HydrophobicContact CB-CD2 3.89Å; N88-L122 HydrophobicContact CB-CG 4.06Å; N88-L122 PolarHBondContact ND2-O 3.14Å; N88-L122 VanDerWaalsContact ND2-O 3.1Å; V94-L122 PolarHBondContact N-O 2.87Å; V94-L122 VanDerWaalsContact N-O 3.14Å; V94-L122 PolarHBondContact O-N 2.99Å; I97-L122 HydrophobicContact CD1-CB 3.63Å; I97-L122 HydrophobicContact CG1-CB 4.28Å; L122-I128 HydrophobicContact CD1-CD1 4.28Å; L122-I128 HydrophobicContact CD1-CG1 3.83Å; L122-I128 HydrophobicContact CD2-CD1 4.02Å; L122-I128 HydrophobicContact CD2-CG1 4.17Å
123K91.4Very high82.7Confident116 Ų11671 Ų7150%0.50440%0.401SS..  trans-71.2160.1179.4-65.3-179.4-1751780111.5N88 E121 S126N88-K123 WeakPolarHBondContact CB-O 3.18Å; N88-K123 PolarHBondContact ND2-O 2.88Å; E121-K123 WeakPolarHBondContact OE1-CE 3.39Å; E121-K123 IonicContact OE1-NZ 3.24Å; K123-S126 VanDerWaalsContact O-CB 3.28Å; K123-S126 WeakPolarHBondContact O-CB 3.38Å; K123-S126 PolarHBondContact O-N 2.96Å; K123-S126 PolarHBondContact O-OG 2.87Å
124P90Very high83.3Confident54 Ų5471.2 Ų71.235%0.35140%0.399SS..THydrogen-bonded Turntrans-49.6142.5167.7-29.338000111.5S90 T91 S126S90-P124 WeakPolarHBondContact O-CB 2.93Å; T91-P124 WeakPolarHBondContact O-CG 2.83Å; P124-S126 PolarHBondContact O-N 3.41Å
125E89.2Confident84.8Confident162 Ų16271 Ų7176%0.75738%0.384SS*.THydrogen-bonded Turntrans61.69.2-179.8-57.2-62.814000115.1N88N88-E125 PolarHBondContact O-N 2.99Å
126S90.6Very high86.4Confident44 Ų4468.3 Ų68.331%0.30837%0.365SS..  trans-95.4154.8174.3-57.30000110.9N88 K123 P124N88-S126 PolarHBondContact N-O 2.76Å; K123-S126 VanDerWaalsContact O-CB 3.28Å; K123-S126 WeakPolarHBondContact O-CB 3.38Å; K123-S126 PolarHBondContact O-N 2.96Å; K123-S126 PolarHBondContact O-OG 2.87Å; P124-S126 PolarHBondContact O-N 3.41Å
127C90.3Very high87.7Confident67 Ų6769.7 Ų69.745%0.45337%0.366SS..EExtended strand (participates in β ladder)trans-129.7155.6178.459.40000112.3V86 H87V86-C127 CarbonylContact O-C 3.59Å; V86-C127 VanDerWaalsContact O-CA 3.22Å; V86-C127 WeakPolarHBondContact O-CA 3.22Å; H87-C127 HydrophobicContact CB-CB 4.37Å
128I89.6Confident88.9Confident32 Ų3265.8 Ų65.816%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-113.2122.8169.5-59164.3000106.5S85 V86 I97 V119 L122S85-I128 CarbonylContact C-O 3.54Å; S85-I128 WeakPolarHBondContact CA-O 3.2Å; V86-I128 HydrophobicContact CB-CB 4.46Å; V86-I128 PolarHBondContact N-O 2.85Å; V86-I128 PolarHBondContact O-N 3.3Å; I97-I128 HydrophobicContact CB-CD1 3.91Å; I97-I128 HydrophobicContact CG1-CD1 4.36Å; I97-I128 HydrophobicContact CG2-CD1 3.71Å; V119-I128 HydrophobicContact CB-CD1 3.78Å; V119-I128 HydrophobicContact CG1-CD1 3.93Å; V119-I128 HydrophobicContact CG1-CG1 4.33Å; V119-I128 HydrophobicContact CG2-CD1 3.73Å; V119-I128 HydrophobicContact CG2-CG1 4.16Å; V119-I128 HydrophobicContact CG2-CG2 4.28Å; L122-I128 HydrophobicContact CD1-CD1 4.28Å; L122-I128 HydrophobicContact CD1-CG1 3.83Å; L122-I128 HydrophobicContact CD2-CD1 4.02Å; L122-I128 HydrophobicContact CD2-CG1 4.17Å
129D90.1Very high89.7Confident76 Ų7666.4 Ų66.441%0.40634%0.343SS..EExtended strand (participates in β ladder)trans-116.3134.8-175.4-67.5-23.2000110.8Y83 I84 S85Y83-D129 HydrophobicContact CE2-CB 3.66Å; Y83-D129 VanDerWaalsContact CZ-CG 3.48Å; Y83-D129 PolarHBondContact OH-OD1 2.9Å; Y83-D129 PolarHBondContact OH-OD2 3.17Å; I84-D129 CarbonylContact O-C 3.59Å; I84-D129 WeakPolarHBondContact O-CA 3.38Å; S85-D129 WeakPolarHBondContact CB-OD1 3.33Å; S85-D129 PolarHBondContact OG-OD1 2.66Å
130D88.8Confident90.3Very high36 Ų3665 Ų6519%0.19334%0.339CS..EExtended strand (participates in β ladder)trans-136.6148.3174.8-16512.2000110.3Y83 I84Y83-D130 CarbonylContact C-O 3.57Å; Y83-D130 WeakPolarHBondContact CA-O 3.39Å; I84-D130 PolarHBondContact N-O 2.87Å; I84-D130 PolarHBondContact O-N 3.03Å
131V90.6Very high90.8Very high55 Ų5562.6 Ų62.633%0.33332%0.324SS..EExtended strand (participates in β ladder)trans-123.8114176.5-176.90000109.3L19 S82 Y83 H133L19-V131 HydrophobicContact CD1-CG1 3.47Å; L19-V131 VanDerWaalsContact CD1-CG1 3.47Å; L19-V131 HydrophobicContact CD1-CG2 4.23Å; S82-V131 WeakPolarHBondContact O-CA 3.41Å; Y83-V131 HydrophobicContact CD2-CG2 3.89Å; V131-H133 WeakPolarHBondContact CG1-CE1 3.45Å
132I91.1Very high91Very high4 Ų458.6 Ų58.62%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-97.1141.2176.760.5165.7000110.7F80 S81 S82 I84 A101 L112 L144F80-I132 HydrophobicContact CE1-CD1 4.21Å; S81-I132 WeakPolarHBondContact CA-O 3.49Å; S82-I132 PolarHBondContact N-O 2.74Å; S82-I132 WeakPolarHBondContact O-CG1 3.41Å; S82-I132 PolarHBondContact O-N 2.89Å; I84-I132 HydrophobicContact CD1-CD1 3.99Å; I84-I132 HydrophobicContact CD1-CG1 4.18Å; I84-I132 HydrophobicContact CD1-CG2 4.13Å; A101-I132 HydrophobicContact CB-CG2 4.46Å; L112-I132 HydrophobicContact CB-CB 4.47Å; L112-I132 HydrophobicContact CB-CD1 4.42Å; L112-I132 HydrophobicContact CB-CG2 4.35Å; L112-I132 HydrophobicContact CD1-CD1 3.89Å; L112-I132 WeakPolarHBondContact O-CG2 3.44Å; I132-L144 HydrophobicContact CD1-CD1 3.67Å; I132-L144 HydrophobicContact CD1-CD2 4.01Å
133H90.3Very high91.2Very high123 Ų12360.2 Ų60.257%0.56931%0.314SS*.EExtended strand (participates in β ladder)trans-127128.2174.7-62.186.6000108.9T79 F80 S81 V131T79-H133 HydrophobicContact CG2-CB 4.13Å; F80-H133 CarbonylContact O-C 3.52Å; F80-H133 WeakPolarHBondContact O-CA 3.49Å; S81-H133 PolarHBondContact OG-CD2 2.82Å; V131-H133 WeakPolarHBondContact CG1-CE1 3.45Å
134H90Very high91.3Very high23 Ų2354.8 Ų54.811%0.10629%0.29CS..EExtended strand (participates in β ladder)trans-139.2118.6-179.7179.367.8000111T79 F80 L103 L110 L112 V136T79-H134 CarbonylContact C-O 3.59Å; T79-H134 WeakPolarHBondContact CA-O 3.46Å; F80-H134 PolarHBondContact N-O 3Å; F80-H134 PolarHBondContact O-N 2.85Å; L103-H134 WeakPolarHBondContact CD2-CD2 3.48Å; L103-H134 WeakPolarHBondContact CD2-NE2 3.29Å; L110-H134 VanDerWaalsContact CD1-CE1 3.42Å; L110-H134 WeakPolarHBondContact CD1-CE1 3.44Å; L112-H134 HydrophobicContact CD1-CB 3.99Å; L112-H134 HydrophobicContact CD2-CB 4.15Å; H134-V136 PolarHBondContact O-N 2.99Å
135E90.8Very high91.5Very high77 Ų7752.3 Ų52.336%0.3627%0.274SS..EExtended strand (participates in β ladder)trans-69.4118.3169.3-175.7-173.7-163.500109.4K137E135-K137 PolarHBondContact O-N 2.89Å; E135-K137 WeakPolarHBondContact OE2-CE 3.48Å; E135-K137 IonicContact OE2-NZ 3.31Å
136V92.3Very high91.7Very high2 Ų244.6 Ų44.61%0.01224%0.238CC..  trans-76.3115.3-173.8-179.20000110I74 G77 E78 F80 H134 V168I74-V136 HydrophobicContact CG2-CG2 3.9Å; G77-V136 PolarHBondContact N-O 3.13Å; E78-V136 WeakPolarHBondContact O-CB 3.26Å; E78-V136 WeakPolarHBondContact O-CG2 3.47Å; E78-V136 PolarHBondContact O-N 3.12Å; F80-V136 HydrophobicContact CB-CG2 3.84Å; H134-V136 PolarHBondContact O-N 2.99Å; V136-V168 HydrophobicContact CG1-CB 4.18Å; V136-V168 HydrophobicContact CG1-CG1 3.45Å; V136-V168 VanDerWaalsContact CG1-CG1 3.45Å; V136-V168 HydrophobicContact CG1-CG2 3.69Å
137K91Very high91.8Very high140 Ų14042.9 Ų42.961%0.60923%0.226SC*.  trans-107.9-7.3-174.3-68.3175.6-175.3-176.80114.9L76 E135L76-K137 WeakPolarHBondContact CD1-O 3.38Å; E135-K137 PolarHBondContact O-N 2.89Å; E135-K137 WeakPolarHBondContact OE2-CE 3.48Å; E135-K137 IonicContact OE2-NZ 3.31Å
138E91.4Very high91.9Very high43 Ų4339.7 Ų39.720%0.20121%0.205CC..  trans-135.7139.4-175.1-65.5-176.9-176.500111.6T105 S107 Q108 H142 V168T105-E138 WeakPolarHBondContact CB-OE2 3.22Å; T105-E138 PolarHBondContact OG1-OE2 3.18Å; S107-E138 PolarHBondContact OG-OE1 2.9Å; S107-E138 PolarHBondContact OG-OE2 2.91Å; Q108-E138 PolarHBondContact NE2-OE1 2.86Å; E138-H142 PolarHBondContact O-CE1 2.95Å; E138-H142 PolarHBondContact O-NE2 3.44Å; E138-V168 WeakPolarHBondContact O-CG1 3.49Å
139I93.3Very high92Very high94 Ų9440 Ų4048%0.48221%0.21SC..  trans-80160.5172.560.4169.4000111.1L76L76-I139 HydrophobicContact CB-CG2 4.09Å; L76-I139 HydrophobicContact CD1-CG2 4.34Å; L76-I139 HydrophobicContact CD2-CG2 4.07Å; L76-I139 HydrophobicContact CG-CG2 4.41Å
140G93.6Very high92.1Very high20 Ų2036.6 Ų36.621%0.20619%0.191CC..EExtended strand (participates in β ladder)trans109.4-159.2174.100000113.4H142 V168G140-H142 PolarHBondContact O-CD2 3.5Å; G140-V168 PolarHBondContact N-O 2.76Å; G140-V168 PolarHBondContact O-N 2.83Å
141T93.8Very high92.3Very high52 Ų5235.7 Ų35.732%0.31919%0.187SC..EExtended strand (participates in β ladder)trans-82.6126.6179.9-68.50000110.6I143 K165 Q167T141-I143 HydrophobicContact CG2-CG1 4.28Å; T141-K165 HydrophobicContact CG2-CD 3.77Å; T141-K165 HydrophobicContact CG2-CG 3.71Å; T141-Q167 PolarHBondContact OG1-OE1 3.45Å
142H93.9Very high92.3Very high1 Ų133.7 Ų33.71%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-114146.2172.5-72.2-123.6000109.7L103 Q104 T105 E138 G140 K165 F166 V168L103-H142 HydrophobicContact CD1-CB 4.25Å; Q104-H142 WeakPolarHBondContact O-CA 3.45Å; T105-H142 VanDerWaalsContact CG2-CE1 3.47Å; T105-H142 WeakPolarHBondContact CG2-CE1 3.45Å; T105-H142 WeakPolarHBondContact CG2-ND1 3.42Å; E138-H142 PolarHBondContact O-CE1 2.95Å; E138-H142 PolarHBondContact O-NE2 3.44Å; G140-H142 PolarHBondContact O-CD2 3.5Å; H142-K165 WeakPolarHBondContact O-CA 3.45Å; H142-F166 HydrophobicContact CB-CD1 4.39Å; H142-F166 HydrophobicContact CB-CD2 3.91Å; H142-F166 HydrophobicContact CB-CE1 3.96Å; H142-F166 HydrophobicContact CB-CE2 3.46Å; H142-F166 VanDerWaalsContact CB-CE2 3.46Å; H142-F166 HydrophobicContact CB-CG 4.39Å; H142-F166 HydrophobicContact CB-CZ 3.5Å; H142-F166 VanDerWaalsContact CB-CZ 3.5Å; H142-F166 PolarHBondContact N-O 2.9Å; H142-F166 PolarHBondContact O-N 2.85Å; H142-F166 VanDerWaalsContact O-O 3.13Å; H142-V168 WeakPolarHBondContact CD2-CG2 3.43Å
143I94Very high92Very high44 Ų4440 Ų4023%0.22620%0.204CC..EExtended strand (participates in β ladder)trans-128.9111.8179.3-54174000108.5Q104 T141 V145 F163 F164 K165Q104-I143 HydrophobicContact CB-CB 4.39Å; Q104-I143 PolarHBondContact N-O 3.02Å; Q104-I143 PolarHBondContact O-N 2.88Å; T141-I143 HydrophobicContact CG2-CG1 4.28Å; I143-V145 HydrophobicContact CG2-CG2 4.14Å; I143-V145 PolarHBondContact O-N 2.8Å; I143-F163 HydrophobicContact CG2-CB 3.95Å; I143-F163 HydrophobicContact CG2-CD1 3.93Å; I143-F163 HydrophobicContact CG2-CG 4.45Å; I143-F164 WeakPolarHBondContact CA-O 3.37Å; I143-K165 HydrophobicContact CG1-CB 4.35Å; I143-K165 HydrophobicContact CG1-CG 4.38Å
144L93.1Very high91.8Very high1 Ų138.2 Ų38.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-79.9117.5169177.468.5000108.8V16 F80 A101 L103 L112 I132 F164 F166V16-L144 HydrophobicContact CG1-CD2 3.94Å; F80-L144 HydrophobicContact CE1-CD2 4.29Å; F80-L144 HydrophobicContact CZ-CD2 4.33Å; A101-L144 HydrophobicContact CB-CD1 4.46Å; L103-L144 HydrophobicContact CD1-CB 4.34Å; L112-L144 HydrophobicContact CD1-CD1 4.45Å; I132-L144 HydrophobicContact CD1-CD1 3.67Å; I132-L144 HydrophobicContact CD1-CD2 4.01Å; L144-F164 HydrophobicContact CB-CB 4.26Å; L144-F164 PolarHBondContact N-O 3.15Å; L144-F164 PolarHBondContact O-N 2.86Å; L144-F166 HydrophobicContact CB-CE1 4.27Å
145V94.1Very high91.6Very high3 Ų339.6 Ų39.62%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-104.2107.8179.1-170.50000108.3A101 D102 I143 F163A101-V145 WeakPolarHBondContact CA-O 3.4Å; D102-V145 HydrophobicContact CB-CB 4.42Å; D102-V145 PolarHBondContact N-O 3.48Å; D102-V145 PolarHBondContact O-N 2.78Å; I143-V145 HydrophobicContact CG2-CG2 4.14Å; I143-V145 PolarHBondContact O-N 2.8Å; V145-F163 HydrophobicContact CB-CD1 4.42Å; V145-F163 HydrophobicContact CG1-CD1 4.1Å; V145-F163 HydrophobicContact CG1-CE1 3.84Å; V145-F163 HydrophobicContact CG1-CZ 4.49Å; V145-F163 HydrophobicContact CG2-CD1 3.74Å; V145-F163 HydrophobicContact CG2-CE1 3.91Å
146C93.1Very high91.5Very high0 Ų041.8 Ų41.80%024%0.242CC..EExtended strand (participates in β ladder)trans-104117.4176-66.90000108.6L14 K100 R161 K162 F164L14-C146 HydrophobicContact CD1-CB 4.32Å; L14-C146 HydrophobicContact CD2-CB 3.5Å; L14-C146 HydrophobicContact CG-CB 4.46Å; K100-C146 CarbonylContact O-C 3.59Å; K100-C146 WeakPolarHBondContact O-CA 3.33Å; C146-R161 CarbonylContact O-C 3.52Å; C146-R161 VanDerWaalsContact O-CA 3.23Å; C146-R161 WeakPolarHBondContact O-CA 3.48Å; C146-K162 PolarHBondContact N-O 3.3Å; C146-K162 PolarHBondContact O-N 2.88Å; C146-F164 HydrophobicContact CB-CE2 4.31Å
147A92.4Very high91.4Very high8 Ų850.2 Ų50.27%0.06628%0.278CS..EExtended strand (participates in β ladder)trans-116.7135.8-179.200000110.4K100 Y159 F160 R161K100-A147 HydrophobicContact CB-CB 4.46Å; K100-A147 PolarHBondContact N-O 2.87Å; K100-A147 PolarHBondContact O-N 2.74Å; A147-Y159 HydrophobicContact CB-CE2 3.76Å; A147-F160 CarbonylContact C-O 3.57Å; A147-F160 WeakPolarHBondContact CA-O 3.36Å; A147-R161 HydrophobicContact CB-CB 3.95Å
148V92.5Very high91.5Very high0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-124.3125.3179.1-174.80000107.6L12 L14 V86 I97 L98 Y150 Y159 F160L12-V148 HydrophobicContact CD1-CG1 4.03Å; L14-V148 HydrophobicContact CD1-CG2 4.2Å; V86-V148 HydrophobicContact CG1-CG1 4.15Å; V86-V148 HydrophobicContact CG1-CG2 4.49Å; V86-V148 HydrophobicContact CG2-CG2 3.78Å; I97-V148 HydrophobicContact CG2-CG1 4.08Å; L98-V148 WeakPolarHBondContact O-CA 3.36Å; V148-Y150 HydrophobicContact CG1-CD1 4.31Å; V148-Y159 WeakPolarHBondContact O-CA 3.35Å; V148-F160 HydrophobicContact CB-CD1 4.29Å; V148-F160 HydrophobicContact CB-CE1 3.75Å; V148-F160 HydrophobicContact CB-CE2 4.26Å; V148-F160 HydrophobicContact CB-CZ 3.74Å; V148-F160 HydrophobicContact CG1-CE1 4.08Å; V148-F160 HydrophobicContact CG1-CZ 4.26Å; V148-F160 HydrophobicContact CG2-CE1 4.39Å; V148-F160 HydrophobicContact CG2-CE2 4.14Å; V148-F160 HydrophobicContact CG2-CZ 3.86Å; V148-F160 PolarHBondContact N-O 3.39Å; V148-F160 PolarHBondContact O-N 2.95Å
149S92.3Very high91.6Very high39 Ų3948.5 Ų48.527%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-115.2140.8165.853.40000109.8I97 L98 L158I97-S149 WeakPolarHBondContact CA-O 3.49Å; L98-S149 WeakPolarHBondContact CB-OG 3.43Å; L98-S149 PolarHBondContact N-O 2.8Å; L98-S149 PolarHBondContact O-N 2.81Å; S149-L158 VanDerWaalsContact CA-O 3.3Å; S149-L158 WeakPolarHBondContact CA-O 3.33Å
150Y92.7Very high91.6Very high3 Ų345 Ų451%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-152.3161-179.865.3-90.9000111.2H10 L11 L12 V94 V148 T152 K157 L158 F160H10-Y150 WeakPolarHBondContact CA-OH 3.11Å; H10-Y150 PolarHBondContact ND1-OH 2.99Å; L11-Y150 HydrophobicContact CB-CE2 4.32Å; L11-Y150 HydrophobicContact CD1-CE2 4.39Å; L11-Y150 PolarHBondContact N-OH 2.84Å; L11-Y150 VanDerWaalsContact N-OH 3.13Å; L12-Y150 HydrophobicContact CB-CE1 4.31Å; L12-Y150 HydrophobicContact CD1-CD1 3.59Å; L12-Y150 HydrophobicContact CD1-CD2 4.39Å; L12-Y150 HydrophobicContact CD1-CE1 4.18Å; L12-Y150 HydrophobicContact CD1-CG 3.7Å; L12-Y150 HydrophobicContact CG-CD1 4.06Å; L12-Y150 HydrophobicContact CG-CE1 4.16Å; L12-Y150 HydrophobicContact CG-CG 4.24Å; V94-Y150 HydrophobicContact CG1-CD2 3.3Å; V94-Y150 HydrophobicContact CG1-CE2 4.21Å; V94-Y150 HydrophobicContact CG1-CG 3.71Å; V148-Y150 HydrophobicContact CG1-CD1 4.31Å; Y150-T152 HydrophobicContact CE2-CG2 4.07Å; Y150-K157 WeakPolarHBondContact O-CA 3.16Å; Y150-L158 HydrophobicContact CD1-CB 4.37Å; Y150-L158 HydrophobicContact CD2-CB 4.29Å; Y150-L158 HydrophobicContact CE1-CB 3.88Å; Y150-L158 HydrophobicContact CE2-CB 3.82Å; Y150-L158 HydrophobicContact CE2-CD1 3.71Å; Y150-L158 HydrophobicContact CE2-CG 4.26Å; Y150-L158 PolarHBondContact N-O 3.22Å; Y150-L158 PolarHBondContact O-N 3.4Å; Y150-L158 VanDerWaalsContact OH-CD1 3.25Å; Y150-L158 WeakPolarHBondContact OH-CD1 3.27Å; Y150-F160 HydrophobicContact CD1-CE1 4.35Å; Y150-F160 AromaticContact CE1-CD1 3.99Å; Y150-F160 HydrophobicContact CE1-CD1 3.99Å; Y150-F160 AromaticContact CE1-CE1 3.85Å; Y150-F160 HydrophobicContact CE1-CE1 3.85Å
151T92.7Very high91.6Very high17 Ų1750.5 Ų50.510%0.10427%0.265CS..EExtended strand (participates in β ladder)trans-110.3126.8176.7-50.80000109.5V94 K95 D96 E156 K157V94-T151 WeakPolarHBondContact CG1-O 3.45Å; K95-T151 PolarHBondContact N-O 3.34Å; K95-T151 PolarHBondContact O-N 3.44Å; D96-T151 PolarHBondContact OD2-OG1 2.87Å; T151-E156 CarbonylContact C-O 3.53Å; T151-E156 WeakPolarHBondContact CA-O 3.12Å; T151-K157 HydrophobicContact CG2-CG 4.42Å
152T90Very high91.6Very high13 Ų1352.1 Ų52.18%0.0827%0.267CS..  trans-71.4165.8174.966.90000111.1L11 Y150 A154 G155 E156 L158L11-T152 HydrophobicContact CD1-CG2 4.07Å; Y150-T152 HydrophobicContact CE2-CG2 4.07Å; T152-A154 PolarHBondContact O-N 3.18Å; T152-A154 PolarHBondContact OG1-N 3.02Å; T152-G155 PolarHBondContact O-N 3.48Å; T152-E156 HydrophobicContact CG2-CB 4.44Å; T152-E156 PolarHBondContact N-O 2.92Å; T152-E156 WeakPolarHBondContact OG1-CB 3.49Å; T152-E156 PolarHBondContact OG1-N 3.07Å; T152-E156 PolarHBondContact OG1-O 2.93Å; T152-L158 HydrophobicContact CG2-CD1 3.6Å; T152-L158 HydrophobicContact CG2-CG 4.17Å
153Q85.1Confident91.5Very high137 Ų13757.3 Ų57.364%0.6429%0.29SS*.THydrogen-bonded Turntrans-59.6-26.2173.6-166.4176.81900112.8G155Q153-G155 PolarHBondContact O-N 3.43Å
154A85.8Confident91.4Very high85 Ų8557.8 Ų57.870%0.70229%0.291SS*.THydrogen-bonded Turntrans-75.9-2.6174.400000113.7T152T152-A154 PolarHBondContact O-N 3.18Å; T152-A154 PolarHBondContact OG1-N 3.02Å
155G85Confident91.4Very high53 Ų5364.8 Ų64.855%0.54632%0.321SS..SBendtrans84.56.9-178.700000114.5T152 Q153T152-G155 PolarHBondContact O-N 3.48Å; Q153-G155 PolarHBondContact O-N 3.43Å
156E89.8Confident91.2Very high122 Ų12265.2 Ų65.257%0.5732%0.322SS*.  trans-80.3128.3178.6-60.1-175150.700110.7T151 T152T151-E156 CarbonylContact C-O 3.53Å; T151-E156 WeakPolarHBondContact CA-O 3.12Å; T152-E156 HydrophobicContact CG2-CB 4.44Å; T152-E156 PolarHBondContact N-O 2.92Å; T152-E156 WeakPolarHBondContact OG1-CB 3.49Å; T152-E156 PolarHBondContact OG1-N 3.07Å; T152-E156 PolarHBondContact OG1-O 2.93Å
157K90.6Very high91.2Very high180 Ų18069.5 Ų69.578%0.78334%0.342SS*.EExtended strand (participates in β ladder)trans-86.3116.6174.9-68.2-173.2178.1-175.80110.1Y150 T151Y150-K157 WeakPolarHBondContact O-CA 3.16Å; T151-K157 HydrophobicContact CG2-CG 4.42Å
158L92.7Very high91.3Very high24 Ų2469.2 Ų69.213%0.12634%0.34CS..EExtended strand (participates in β ladder)trans-109150.1177.2-65.8178.4000110.6Q8 S149 Y150 T152Q8-L158 VanDerWaalsContact NE2-CD2 3.27Å; S149-L158 VanDerWaalsContact CA-O 3.3Å; S149-L158 WeakPolarHBondContact CA-O 3.33Å; Y150-L158 HydrophobicContact CD1-CB 4.37Å; Y150-L158 HydrophobicContact CD2-CB 4.29Å; Y150-L158 HydrophobicContact CE1-CB 3.88Å; Y150-L158 HydrophobicContact CE2-CB 3.82Å; Y150-L158 HydrophobicContact CE2-CD1 3.71Å; Y150-L158 HydrophobicContact CE2-CG 4.26Å; Y150-L158 PolarHBondContact N-O 3.22Å; Y150-L158 PolarHBondContact O-N 3.4Å; Y150-L158 VanDerWaalsContact OH-CD1 3.25Å; Y150-L158 WeakPolarHBondContact OH-CD1 3.27Å; T152-L158 HydrophobicContact CG2-CD1 3.6Å; T152-L158 HydrophobicContact CG2-CG 4.17Å
159Y93Very high91.3Very high123 Ų12372.2 Ų72.248%0.48236%0.356SS..EExtended strand (participates in β ladder)trans-144.2134.1-178.3170.7-95.3000109.9A147 V148 R161A147-Y159 HydrophobicContact CB-CE2 3.76Å; V148-Y159 WeakPolarHBondContact O-CA 3.35Å; Y159-R161 HydrophobicContact CE1-CG 4.44Å
160F93.9Very high91.4Very high20 Ų2074.7 Ų74.79%0.08836%0.362CS..EExtended strand (participates in β ladder)trans-143.4160.916869.7-87.6000111.6H10 L12 L14 A147 V148 Y150H10-F160 HydrophobicContact CB-CD1 4.11Å; H10-F160 HydrophobicContact CB-CE1 4.24Å; H10-F160 AromaticContact CG-CD1 3.67Å; H10-F160 AromaticContact ND1-CD1 3.6Å; H10-F160 WeakPolarHBondContact NE2-CB 3.39Å; L12-F160 HydrophobicContact CB-CE1 4.16Å; L12-F160 HydrophobicContact CB-CZ 4.39Å; L14-F160 HydrophobicContact CB-CE2 3.7Å; L14-F160 HydrophobicContact CB-CZ 4.1Å; L14-F160 HydrophobicContact CD2-CE2 4.3Å; A147-F160 CarbonylContact C-O 3.57Å; A147-F160 WeakPolarHBondContact CA-O 3.36Å; V148-F160 HydrophobicContact CB-CD1 4.29Å; V148-F160 HydrophobicContact CB-CE1 3.75Å; V148-F160 HydrophobicContact CB-CE2 4.26Å; V148-F160 HydrophobicContact CB-CZ 3.74Å; V148-F160 HydrophobicContact CG1-CE1 4.08Å; V148-F160 HydrophobicContact CG1-CZ 4.26Å; V148-F160 HydrophobicContact CG2-CE1 4.39Å; V148-F160 HydrophobicContact CG2-CE2 4.14Å; V148-F160 HydrophobicContact CG2-CZ 3.86Å; V148-F160 PolarHBondContact N-O 3.39Å; V148-F160 PolarHBondContact O-N 2.95Å; Y150-F160 HydrophobicContact CD1-CE1 4.35Å; Y150-F160 AromaticContact CE1-CD1 3.99Å; Y150-F160 HydrophobicContact CE1-CD1 3.99Å; Y150-F160 AromaticContact CE1-CE1 3.85Å; Y150-F160 HydrophobicContact CE1-CE1 3.85Å
161R93.2Very high91.4Very high136 Ų13674.6 Ų74.651%0.51336%0.361SS..EExtended strand (participates in β ladder)trans-140.7146.3176.363.1-177.4178.4-178.43.3111.2C146 A147 Y159 F163C146-R161 CarbonylContact O-C 3.52Å; C146-R161 VanDerWaalsContact O-CA 3.23Å; C146-R161 WeakPolarHBondContact O-CA 3.48Å; A147-R161 HydrophobicContact CB-CB 3.95Å; Y159-R161 HydrophobicContact CE1-CG 4.44Å; R161-F163 HydrophobicContact CG-CE2 3.99Å; R161-F163 HydrophobicContact CG-CZ 4.1Å
162K93.1Very high91.6Very high86 Ų8673.8 Ų73.837%0.37436%0.356SS..EExtended strand (participates in β ladder)trans-120.6149.3171.5-66.1-172.1-177.1176.70110.1L14 C146 F164L14-K162 HydrophobicContact CB-CD 4.37Å; L14-K162 HydrophobicContact CD2-CB 3.95Å; L14-K162 HydrophobicContact CD2-CD 4.08Å; L14-K162 HydrophobicContact CD2-CG 4.06Å; L14-K162 PolarHBondContact O-NZ 3.04Å; C146-K162 PolarHBondContact N-O 3.3Å; C146-K162 PolarHBondContact O-N 2.88Å; K162-F164 HydrophobicContact CB-CE2 3.69Å; K162-F164 HydrophobicContact CB-CZ 3.91Å; K162-F164 HydrophobicContact CD-CZ 4.17Å
163F93.4Very high91.8Very high110 Ų11074.7 Ų74.748%0.48236%0.36SS..EExtended strand (participates in β ladder)trans-115.7125.1-178.8-59.2-91000109I143 V145 R161I143-F163 HydrophobicContact CG2-CB 3.95Å; I143-F163 HydrophobicContact CG2-CD1 3.93Å; I143-F163 HydrophobicContact CG2-CG 4.45Å; V145-F163 HydrophobicContact CB-CD1 4.42Å; V145-F163 HydrophobicContact CG1-CD1 4.1Å; V145-F163 HydrophobicContact CG1-CE1 3.84Å; V145-F163 HydrophobicContact CG1-CZ 4.49Å; V145-F163 HydrophobicContact CG2-CD1 3.74Å; V145-F163 HydrophobicContact CG2-CE1 3.91Å; R161-F163 HydrophobicContact CG-CE2 3.99Å; R161-F163 HydrophobicContact CG-CZ 4.1Å
164F91.9Very high92.3Very high54 Ų5469.9 Ų69.924%0.23734%0.34CS..EExtended strand (participates in β ladder)trans-116.4102.5177.2-57.9-86.9000108.4L14 V16 I143 L144 C146 K162L14-F164 HydrophobicContact CD2-CE2 4.46Å; V16-F164 HydrophobicContact CB-CD1 4.34Å; V16-F164 HydrophobicContact CB-CD2 4.2Å; V16-F164 HydrophobicContact CB-CE1 3.93Å; V16-F164 HydrophobicContact CB-CE2 3.79Å; V16-F164 HydrophobicContact CB-CG 4.46Å; V16-F164 HydrophobicContact CB-CZ 3.63Å; V16-F164 HydrophobicContact CG1-CD2 4.39Å; V16-F164 HydrophobicContact CG1-CE2 4.43Å; V16-F164 HydrophobicContact CG2-CD2 4.04Å; V16-F164 HydrophobicContact CG2-CE1 4.3Å; V16-F164 HydrophobicContact CG2-CE2 3.34Å; V16-F164 HydrophobicContact CG2-CZ 3.5Å; V16-F164 VanDerWaalsContact CG2-CZ 3.5Å; I143-F164 WeakPolarHBondContact CA-O 3.37Å; L144-F164 HydrophobicContact CB-CB 4.26Å; L144-F164 PolarHBondContact N-O 3.15Å; L144-F164 PolarHBondContact O-N 2.86Å; C146-F164 HydrophobicContact CB-CE2 4.31Å; K162-F164 HydrophobicContact CB-CE2 3.69Å; K162-F164 HydrophobicContact CB-CZ 3.91Å; K162-F164 HydrophobicContact CD-CZ 4.17Å
165K91.8Very high92.8Very high147 Ų14771.1 Ų71.164%0.63933%0.33SS*.EExtended strand (participates in β ladder)trans-88.1131.5-178.7177.3173164165.60110.2T141 H142 I143T141-K165 HydrophobicContact CG2-CD 3.77Å; T141-K165 HydrophobicContact CG2-CG 3.71Å; H142-K165 WeakPolarHBondContact O-CA 3.45Å; I143-K165 HydrophobicContact CG1-CB 4.35Å; I143-K165 HydrophobicContact CG1-CG 4.38Å
166F91.2Very high93.2Very high12 Ų1271 Ų715%0.05332%0.319CS..EExtended strand (participates in β ladder)trans-140160.1173.161.1-91.1000111.4F71 I74 F80 L103 H142 L144 V168F71-F166 HydrophobicContact CD1-CB 4.36Å; F71-F166 HydrophobicContact CE1-CB 3.85Å; I74-F166 HydrophobicContact CD1-CB 4.22Å; I74-F166 HydrophobicContact CD1-CD2 3.35Å; I74-F166 HydrophobicContact CD1-CE2 3.76Å; I74-F166 HydrophobicContact CD1-CG 3.91Å; F80-F166 HydrophobicContact CD1-CZ 4.43Å; F80-F166 HydrophobicContact CD2-CE2 4.48Å; F80-F166 HydrophobicContact CD2-CZ 4.28Å; F80-F166 HydrophobicContact CE1-CE1 4.41Å; F80-F166 HydrophobicContact CE1-CZ 4.4Å; F80-F166 HydrophobicContact CE2-CE1 4.24Å; F80-F166 HydrophobicContact CE2-CZ 4.26Å; F80-F166 HydrophobicContact CG-CZ 4.36Å; F80-F166 HydrophobicContact CZ-CE1 4.07Å; F80-F166 HydrophobicContact CZ-CZ 4.31Å; L103-F166 HydrophobicContact CD1-CE1 3.88Å; L103-F166 HydrophobicContact CD1-CZ 3.7Å; H142-F166 HydrophobicContact CB-CD1 4.39Å; H142-F166 HydrophobicContact CB-CD2 3.91Å; H142-F166 HydrophobicContact CB-CE1 3.96Å; H142-F166 HydrophobicContact CB-CE2 3.46Å; H142-F166 VanDerWaalsContact CB-CE2 3.46Å; H142-F166 HydrophobicContact CB-CG 4.39Å; H142-F166 HydrophobicContact CB-CZ 3.5Å; H142-F166 VanDerWaalsContact CB-CZ 3.5Å; H142-F166 PolarHBondContact N-O 2.9Å; H142-F166 PolarHBondContact O-N 2.85Å; H142-F166 VanDerWaalsContact O-O 3.13Å; L144-F166 HydrophobicContact CB-CE1 4.27Å; F166-V168 HydrophobicContact CD2-CG2 4.13Å; F166-V168 HydrophobicContact CE2-CG2 3.92Å
167Q92.2Very high93.3Very high90 Ų9069.8 Ų69.842%0.42131%0.312SS..EExtended strand (participates in β ladder)trans-108132.1-177.8-17267.320.700110.1T141 L169T141-Q167 PolarHBondContact OG1-OE1 3.45Å; Q167-L169 HydrophobicContact CG-CD2 3.88Å
168V93.8Very high93.1Very high2 Ų263.9 Ų63.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-102.8127172.2179.70000109.5I74 L76 V136 E138 G140 H142 F166I74-V168 HydrophobicContact CB-CG2 4.48Å; I74-V168 HydrophobicContact CG2-CG2 4.09Å; I74-V168 CarbonylContact O-C 3.54Å; I74-V168 WeakPolarHBondContact O-CA 3.44Å; L76-V168 HydrophobicContact CB-CG1 4.48Å; V136-V168 HydrophobicContact CG1-CB 4.18Å; V136-V168 HydrophobicContact CG1-CG1 3.45Å; V136-V168 VanDerWaalsContact CG1-CG1 3.45Å; V136-V168 HydrophobicContact CG1-CG2 3.69Å; E138-V168 WeakPolarHBondContact O-CG1 3.49Å; G140-V168 PolarHBondContact N-O 2.76Å; G140-V168 PolarHBondContact O-N 2.83Å; H142-V168 WeakPolarHBondContact CD2-CG2 3.43Å; F166-V168 HydrophobicContact CD2-CG2 4.13Å; F166-V168 HydrophobicContact CE2-CG2 3.92Å
169L93.6Very high92.8Very high64 Ų6467.7 Ų67.734%0.33530%0.299SS..EExtended strand (participates in β ladder)trans-107.3159.9-179-56.9179.1000111.2N73 I74 F75 L76 Q167N73-L169 HydrophobicContact CB-CD1 4.14Å; I74-L169 PolarHBondContact O-N 2.8Å; F75-L169 WeakPolarHBondContact CA-O 3.39Å; F75-L169 HydrophobicContact CD1-CB 3.83Å; F75-L169 HydrophobicContact CE1-CB 3.92Å; F75-L169 HydrophobicContact CE1-CD1 4.29Å; L76-L169 PolarHBondContact N-O 2.92Å; Q167-L169 HydrophobicContact CG-CD2 3.88Å
170K94.1Very high91.9Very high91 Ų9165.3 Ų65.340%0.39630%0.295SS..  trans-79.9126.1172.7-175.6178.2168.7179.90108.5L172 D173 I201K170-L172 WeakPolarHBondContact CE-O 3.39Å; K170-L172 WeakPolarHBondContact CG-O 3.36Å; K170-D173 IonicContact NZ-OD1 3.39Å; K170-D173 PolarHBondContact NZ-OD1 3.45Å; K170-I201 HydrophobicContact CB-CD1 3.9Å; K170-I201 HydrophobicContact CD-CD1 4.18Å; K170-I201 HydrophobicContact CG-CD1 3.89Å; K170-I201 WeakPolarHBondContact O-CD1 3.24Å; K170-I201 WeakPolarHBondContact O-CG1 3.47Å
171P93.6Very high90.6Very high0 Ų065.7 Ų65.70%030%0.302CS..  trans-84.6-36.4178.526.5-28.8000113.5F75 L76 I201 T202 M206 W281F75-P171 HydrophobicContact CB-CB 3.74Å; F75-P171 HydrophobicContact CB-CG 3.96Å; F75-P171 HydrophobicContact CD1-CB 4.03Å; F75-P171 HydrophobicContact CG-CB 4.01Å; L76-P171 VanDerWaalsContact O-CG 3.32Å; L76-P171 WeakPolarHBondContact O-CG 3.4Å; P171-I201 VanDerWaalsContact C-CG1 3.47Å; P171-I201 WeakPolarHBondContact O-CG1 3.41Å; P171-I201 PolarHBondContact O-N 2.88Å; P171-I201 VanDerWaalsContact O-N 3.07Å; P171-T202 HydrophobicContact CB-CG2 3.95Å; P171-T202 WeakPolarHBondContact O-CG2 3.29Å; P171-M206 HydrophobicContact CB-CE 3.93Å; P171-W281 HydrophobicContact CB-CZ2 4.09Å; P171-W281 HydrophobicContact CG-CH2 3.87Å; P171-W281 HydrophobicContact CG-CZ2 3.67Å
172L95.4Very high89Confident0 Ų063.9 Ų63.90%030%0.299CS..EExtended strand (participates in β ladder)trans-128.2135.3-172-60.8176.3000110.1K170 I198 Q199 N200 M206 M208 I279 W281 L291K170-L172 WeakPolarHBondContact CE-O 3.39Å; K170-L172 WeakPolarHBondContact CG-O 3.36Å; L172-I198 HydrophobicContact CB-CG2 4.36Å; L172-I198 HydrophobicContact CD1-CG2 4.12Å; L172-I198 HydrophobicContact CD2-CG2 4.11Å; L172-I198 HydrophobicContact CG-CG2 4.43Å; L172-Q199 CarbonylContact C-O 3.57Å; L172-Q199 VanDerWaalsContact CA-O 3.27Å; L172-Q199 WeakPolarHBondContact CA-O 3.49Å; L172-N200 HydrophobicContact CD2-CB 4.46Å; L172-M206 HydrophobicContact CD2-SD 3.86Å; L172-M208 HydrophobicContact CD1-CE 4.15Å; L172-M208 HydrophobicContact CD2-CE 3.74Å; L172-I279 HydrophobicContact CD1-CG2 3.81Å; L172-W281 HydrophobicContact CD1-CD2 4.28Å; L172-W281 HydrophobicContact CD1-CE3 3.76Å; L172-W281 HydrophobicContact CD1-CZ3 3.91Å; L172-L291 HydrophobicContact CB-CD2 4.41Å
173D95.4Very high86.7Confident32 Ų3261.4 Ų61.417%0.17129%0.293CS..EExtended strand (participates in β ladder)trans-93.2127.6164.1-16433.3000109.9K170 K175 I198 Q199 I201K170-D173 IonicContact NZ-OD1 3.39Å; K170-D173 PolarHBondContact NZ-OD1 3.45Å; D173-K175 WeakPolarHBondContact OD2-CE 3.32Å; D173-K175 IonicContact OD2-NZ 2.69Å; D173-K175 PolarHBondContact OD2-NZ 3.31Å; D173-I198 WeakPolarHBondContact O-CA 3.32Å; D173-Q199 HydrophobicContact CB-CB 4.24Å; D173-Q199 PolarHBondContact N-O 2.89Å; D173-Q199 PolarHBondContact O-N 3.33Å; D173-I201 HydrophobicContact CB-CG2 4.1Å
174V95.3Very high84.4Confident36 Ų3660.1 Ų60.122%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-120.3118-176.1-176.40000108.2Q197 L277 I279 L291 T293V174-Q197 WeakPolarHBondContact CA-O 3.48Å; V174-L277 HydrophobicContact CG1-CD2 3.9Å; V174-I279 HydrophobicContact CG2-CD1 3.69Å; V174-L291 HydrophobicContact CG2-CD2 4.22Å; V174-T293 HydrophobicContact CG1-CG2 4.27Å
175K94.9Very high81.9Confident111 Ų11162 Ų6248%0.48330%0.303SS..EExtended strand (participates in β ladder)trans-121.2136.2175.9-65.5174-178.3153.30109.2D173 Q197D173-K175 WeakPolarHBondContact OD2-CE 3.32Å; D173-K175 IonicContact OD2-NZ 2.69Å; D173-K175 PolarHBondContact OD2-NZ 3.31Å; K175-Q197 HydrophobicContact CB-CB 4.27Å; K175-Q197 PolarHBondContact N-O 3.03Å; K175-Q197 PolarHBondContact O-N 2.92Å
176T93.6Very high79.4Confident50 Ų5060.2 Ų60.231%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-121.6137.9-178.354.10000111L194 E195 A196 L296T176-L194 HydrophobicContact CG2-CD1 4.07Å; T176-E195 CarbonylContact C-O 3.58Å; T176-E195 VanDerWaalsContact CA-O 3.28Å; T176-E195 WeakPolarHBondContact CA-O 3.41Å; T176-A196 HydrophobicContact CG2-CB 4.45Å; T176-L296 HydrophobicContact CG2-CD1 4.18Å; T176-L296 HydrophobicContact CG2-CD2 4.04Å
177K91.9Very high77Confident98 Ų9862.9 Ų62.943%0.42633%0.329SS..EExtended strand (participates in β ladder)trans-125.7139.9172.6-63.6179.2-176.9172.90109.7Y179 E195K177-Y179 HydrophobicContact CB-CE2 4.02Å; K177-Y179 WeakPolarHBondContact CD-OH 3.48Å; K177-E195 HydrophobicContact CB-CB 4.36Å; K177-E195 PolarHBondContact N-O 2.9Å; K177-E195 PolarHBondContact O-N 3.45Å
178F88Confident74.9Confident55 Ų5562.1 Ų62.124%0.24133%0.33CS..EExtended strand (participates in β ladder)trans-109.6133.1177.1-62.2-83.8000109.5V192 F193 L194 I274 L296 R298F178-V192 HydrophobicContact CD1-CG1 4.06Å; F178-F193 CarbonylContact C-O 3.56Å; F178-F193 WeakPolarHBondContact CA-O 3.21Å; F178-L194 HydrophobicContact CD1-CB 4.44Å; F178-L194 HydrophobicContact CD1-CD1 3.99Å; F178-L194 HydrophobicContact CE1-CB 4.45Å; F178-L194 HydrophobicContact CE1-CD1 3.66Å; F178-L194 HydrophobicContact CE1-CG 4.47Å; F178-L194 HydrophobicContact CZ-CD1 3.99Å; F178-I274 HydrophobicContact CE1-CB 4.25Å; F178-I274 HydrophobicContact CE1-CG1 3.8Å; F178-I274 HydrophobicContact CE1-CG2 4.18Å; F178-I274 HydrophobicContact CZ-CG1 4.38Å; F178-L296 HydrophobicContact CZ-CB 4.17Å; F178-R298 HydrophobicContact CB-CG 4.48Å; F178-R298 HydrophobicContact CD1-CB 4.14Å; F178-R298 HydrophobicContact CD1-CG 4.47Å; F178-R298 HydrophobicContact CD2-CB 4.35Å; F178-R298 HydrophobicContact CE1-CB 4.19Å; F178-R298 HydrophobicContact CE2-CB 4.4Å; F178-R298 HydrophobicContact CG-CB 4.21Å; F178-R298 HydrophobicContact CG-CG 4.33Å; F178-R298 HydrophobicContact CZ-CB 4.31Å
179Y84.9Confident73Confident105 Ų10563.7 Ų63.741%0.41234%0.34SS..EExtended strand (participates in β ladder)trans-118.9132.1171.6-50.8-85.4000108.3K177 F193 E195K177-Y179 HydrophobicContact CB-CE2 4.02Å; K177-Y179 WeakPolarHBondContact CD-OH 3.48Å; Y179-F193 HydrophobicContact CD2-CB 4.45Å; Y179-F193 PolarHBondContact N-O 2.64Å; Y179-F193 PolarHBondContact O-N 3.26Å; Y179-E195 HydrophobicContact CE2-CB 3.76Å; Y179-E195 WeakPolarHBondContact CE2-OE2 3.23Å; Y179-E195 PolarHBondContact OH-OE2 2.83Å
180N75.5Confident71.8Confident72 Ų7261.9 Ų61.939%0.38533%0.331SS..EExtended strand (participates in β ladder)trans-93.3117.1175.3-51.1-49.9000106.1E182 R298 P301N180-E182 PolarHBondContact O-N 3.43Å; N180-R298 PolarHBondContact OD1-NE 3.29Å; N180-R298 PolarHBondContact OD1-NH2 2.9Å; N180-P301 HydrophobicContact CB-CG 4.37Å
181A65.9Low71Confident29 Ų2958.6 Ų58.624%0.2432%0.317CS..EExtended strand (participates in β ladder)trans-84.4105.8164.100000106.7S183 E191 F193A181-S183 PolarHBondContact O-N 2.7Å; A181-E191 HydrophobicContact CB-CB 4.22Å; A181-E191 PolarHBondContact N-O 2.98Å; A181-F193 HydrophobicContact CB-CD2 3.84Å; A181-F193 HydrophobicContact CB-CE2 3.46Å; A181-F193 VanDerWaalsContact CB-CE2 3.46Å
182E58.8Low70.6Confident98 Ų9858.6 Ų58.646%0.45832%0.317SS..EExtended strand (participates in β ladder)trans-7693.1154.1-65.3-178.6-161.600104N180 D184 Y303N180-E182 PolarHBondContact O-N 3.43Å; E182-D184 PolarHBondContact O-N 3.27Å; E182-Y303 WeakPolarHBondContact OE1-CE1 3.36Å
183S45.9Very low70.4Confident33 Ų3361 Ų6123%0.23133%0.328CS..  trans-66.6109.8-172.5570000110.1A181 S187 T189A181-S183 PolarHBondContact O-N 2.7Å; S183-S187 PolarHBondContact OG-O 3.18Å; S183-T189 PolarHBondContact OG-OG1 3.44Å
184D43.8Very low70.2Confident83 Ų8359.5 Ų59.544%0.44432%0.319SS..  trans-53.4131.3153.9-66.9-44.2000108.5E182 L310 I313E182-D184 PolarHBondContact O-N 3.27Å; D184-L310 WeakPolarHBondContact OD1-CD1 3.45Å; D184-I313 HydrophobicContact CB-CG2 3.9Å
185L40.4Very low70.2Confident94 Ų9458.7 Ų58.749%0.49231%0.313SS..SBendtrans85.2106.2177.6-117.180.4000118.2S187L185-S187 VanDerWaalsContact C-N 3.35Å; L185-S187 PolarHBondContact O-N 2.86Å
186S39.5Very low70.2Confident110 Ų11053.4 Ų53.477%0.76929%0.29SS*.SBendtrans69.6-13.4146.176.30000121.1E311S186-E311 PolarHBondContact N-O 3.46Å
187S41.3Very low70.3Confident68 Ų6852.8 Ų52.848%0.47628%0.284SS..SBendtrans-147.7123.4166.755.30000109S183 L185 T189S183-S187 PolarHBondContact OG-O 3.18Å; L185-S187 VanDerWaalsContact C-N 3.35Å; L185-S187 PolarHBondContact O-N 2.86Å; S187-T189 PolarHBondContact O-N 3.11Å
188V47.8Very low70.5Confident73 Ų7348.1 Ų48.144%0.44226%0.263SS..  trans-65.681.1169.7-178.80000107.1
189T54.3Low70.9Confident35 Ų3547.8 Ų47.822%0.21526%0.263CS..  trans-87112.1164.858.30000104.7S183 S187 E191S183-T189 PolarHBondContact OG-OG1 3.44Å; S187-T189 PolarHBondContact O-N 3.11Å; T189-E191 WeakPolarHBondContact CB-OE1 3.35Å; T189-E191 PolarHBondContact O-N 3.36Å; T189-E191 PolarHBondContact OG1-OE1 2.62Å
190D66.6Low71.4Confident26 Ų2642.8 Ų42.814%0.13924%0.243CC..EExtended strand (participates in β ladder)trans-69.459.1166.3-76-40.9000108P257 A265 G266 R307D190-P257 HydrophobicContact CB-CG 4.05Å; D190-P257 WeakPolarHBondContact O-CD 3.36Å; D190-P257 WeakPolarHBondContact O-CG 3.34Å; D190-A265 HydrophobicContact CB-CB 4.49Å; D190-A265 VanDerWaalsContact OD2-C 3.31Å; D190-A265 WeakPolarHBondContact OD2-CB 3.36Å; D190-G266 PolarHBondContact OD2-N 2.69Å; D190-R307 IonicContact OD1-CZ 3.76Å; D190-R307 IonicContact OD1-NH1 2.88Å; D190-R307 PolarHBondContact OD1-NH1 2.67Å; D190-R307 VanDerWaalsContact OD1-NH1 3.12Å; D190-R307 IonicContact OD1-NH2 2.82Å; D190-R307 PolarHBondContact OD1-NH2 3.11Å; D190-R307 IonicContact OD2-NH1 3.76Å
191E79.1Confident72.3Confident23 Ų2342.6 Ų42.611%0.10724%0.241CC..EExtended strand (participates in β ladder)trans-73.9135.4-177-97.3170.9-14100109.7A181 T189 F193 L255 K256A181-E191 HydrophobicContact CB-CB 4.22Å; A181-E191 PolarHBondContact N-O 2.98Å; T189-E191 WeakPolarHBondContact CB-OE1 3.35Å; T189-E191 PolarHBondContact O-N 3.36Å; T189-E191 PolarHBondContact OG1-OE1 2.62Å; E191-F193 HydrophobicContact CB-CE2 4.4Å; E191-L255 WeakPolarHBondContact CA-O 3.43Å; E191-K256 HydrophobicContact CG-CD 4.37Å; E191-K256 HydrophobicContact CG-CG 3.67Å; E191-K256 WeakPolarHBondContact OE1-CD 3.48Å; E191-K256 WeakPolarHBondContact OE1-CE 3.26Å; E191-K256 IonicContact OE1-NZ 3.87Å; E191-K256 PolarHBondContact OE1-NZ 2.82Å; E191-K256 IonicContact OE2-NZ 3.64Å
192V84.4Confident73.5Confident0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-120.8123.9179.4-1730000107.7F178 L255F178-V192 HydrophobicContact CD1-CG1 4.06Å; V192-L255 HydrophobicContact CB-CB 4.16Å; V192-L255 HydrophobicContact CB-CD1 4.34Å; V192-L255 HydrophobicContact CG1-CD1 4.46Å; V192-L255 PolarHBondContact N-O 2.79Å; V192-L255 WeakPolarHBondContact O-CB 3.41Å; V192-L255 WeakPolarHBondContact O-CD1 3.17Å; V192-L255 PolarHBondContact O-N 3.31Å
193F90.3Very high74.9Confident51 Ų5142.4 Ų42.422%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-94.4125.7170.6-66.8-92.5000108.8F178 Y179 A181 E191 L224 L252 Y253 C254F178-F193 CarbonylContact C-O 3.56Å; F178-F193 WeakPolarHBondContact CA-O 3.21Å; Y179-F193 HydrophobicContact CD2-CB 4.45Å; Y179-F193 PolarHBondContact N-O 2.64Å; Y179-F193 PolarHBondContact O-N 3.26Å; A181-F193 HydrophobicContact CB-CD2 3.84Å; A181-F193 HydrophobicContact CB-CE2 3.46Å; A181-F193 VanDerWaalsContact CB-CE2 3.46Å; E191-F193 HydrophobicContact CB-CE2 4.4Å; F193-L224 HydrophobicContact CD1-CD1 3.99Å; F193-L224 HydrophobicContact CE1-CD1 3.66Å; F193-L252 HydrophobicContact CB-CD1 4.28Å; F193-L252 HydrophobicContact CD1-CD1 4.44Å; F193-Y253 CarbonylContact C-O 3.52Å; F193-Y253 VanDerWaalsContact CA-O 3.31Å; F193-Y253 WeakPolarHBondContact CA-O 3.3Å; F193-C254 HydrophobicContact CD1-CB 4.09Å; F193-C254 HydrophobicContact CE1-CB 3.79Å; F193-C254 HydrophobicContact CZ-CB 4.41Å
194L92.6Very high76.9Confident0 Ų043.7 Ų43.70%025%0.253CS..EExtended strand (participates in β ladder)trans-105.5118.9171.7169.766.4000108.6T176 F178 L213 Y253 L255 L296T176-L194 HydrophobicContact CG2-CD1 4.07Å; F178-L194 HydrophobicContact CD1-CB 4.44Å; F178-L194 HydrophobicContact CD1-CD1 3.99Å; F178-L194 HydrophobicContact CE1-CB 4.45Å; F178-L194 HydrophobicContact CE1-CD1 3.66Å; F178-L194 HydrophobicContact CE1-CG 4.47Å; F178-L194 HydrophobicContact CZ-CD1 3.99Å; L194-L213 HydrophobicContact CD2-CD1 3.69Å; L194-L213 HydrophobicContact CD2-CD2 3.66Å; L194-L213 HydrophobicContact CD2-CG 4.28Å; L194-Y253 HydrophobicContact CD2-CD2 4.23Å; L194-Y253 HydrophobicContact CG-CD2 4.31Å; L194-Y253 PolarHBondContact N-O 2.88Å; L194-Y253 PolarHBondContact O-N 2.96Å; L194-L255 HydrophobicContact CB-CD1 3.89Å; L194-L296 HydrophobicContact CD2-CD1 3.8Å
195E94.6Very high79.1Confident19 Ų1942.5 Ų42.59%0.08925%0.25CS..EExtended strand (participates in β ladder)trans-96.7120.2166.4-178.1-163.1159.100109T176 K177 Y179 Q197 Q250 Y251 L252T176-E195 CarbonylContact C-O 3.58Å; T176-E195 VanDerWaalsContact CA-O 3.28Å; T176-E195 WeakPolarHBondContact CA-O 3.41Å; K177-E195 HydrophobicContact CB-CB 4.36Å; K177-E195 PolarHBondContact N-O 2.9Å; K177-E195 PolarHBondContact O-N 3.45Å; Y179-E195 HydrophobicContact CE2-CB 3.76Å; Y179-E195 WeakPolarHBondContact CE2-OE2 3.23Å; Y179-E195 PolarHBondContact OH-OE2 2.83Å; E195-Q197 HydrophobicContact CG-CG 4.38Å; E195-Q197 WeakPolarHBondContact OE1-CG 3.46Å; E195-Q197 PolarHBondContact OE1-NE2 2.8Å; E195-Q250 PolarHBondContact OE1-NE2 3.39Å; E195-Y251 CarbonylContact C-O 3.59Å; E195-Y251 WeakPolarHBondContact CA-O 3.42Å; E195-L252 HydrophobicContact CB-CD1 4.44Å
196A95.5Very high81.5Confident0 Ų038.1 Ų38.10%023%0.227CC..EExtended strand (participates in β ladder)trans-108.6113.7173.500000110T176 Y251 Y253 L277T176-A196 HydrophobicContact CG2-CB 4.45Å; A196-Y251 PolarHBondContact N-O 2.75Å; A196-Y251 PolarHBondContact O-N 2.81Å; A196-Y253 HydrophobicContact CB-CE2 4.15Å; A196-L277 HydrophobicContact CB-CD2 3.96Å
197Q95.7Very high84Confident36 Ų3636.2 Ų36.217%0.16821%0.205CC..EExtended strand (participates in β ladder)trans-93.9118.3175.1-46.4-171.7-16.300108.8V174 K175 E195 T248 R249 Q250V174-Q197 WeakPolarHBondContact CA-O 3.48Å; K175-Q197 HydrophobicContact CB-CB 4.27Å; K175-Q197 PolarHBondContact N-O 3.03Å; K175-Q197 PolarHBondContact O-N 2.92Å; E195-Q197 HydrophobicContact CG-CG 4.38Å; E195-Q197 WeakPolarHBondContact OE1-CG 3.46Å; E195-Q197 PolarHBondContact OE1-NE2 2.8Å; Q197-T248 HydrophobicContact CB-CG2 4.13Å; Q197-R249 CarbonylContact C-O 3.55Å; Q197-R249 WeakPolarHBondContact CA-O 3.27Å; Q197-Q250 HydrophobicContact CG-CG 4.18Å
198I95.8Very high86.4Confident0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-114.4118.5178.7-58.5178.3000108.2L172 D173 M208 V211 L243 T248 R249 Y251 L277 I279L172-I198 HydrophobicContact CB-CG2 4.36Å; L172-I198 HydrophobicContact CD1-CG2 4.12Å; L172-I198 HydrophobicContact CD2-CG2 4.11Å; L172-I198 HydrophobicContact CG-CG2 4.43Å; D173-I198 WeakPolarHBondContact O-CA 3.32Å; I198-M208 HydrophobicContact CG2-CE 4.01Å; I198-V211 HydrophobicContact CD1-CB 4.47Å; I198-V211 HydrophobicContact CD1-CG1 3.37Å; I198-V211 HydrophobicContact CD1-CG2 4.23Å; I198-L243 HydrophobicContact CG2-CD2 4.35Å; I198-T248 CarbonylContact O-C 3.59Å; I198-T248 WeakPolarHBondContact O-CA 3.31Å; I198-R249 PolarHBondContact N-O 3.4Å; I198-R249 PolarHBondContact O-N 2.82Å; I198-Y251 HydrophobicContact CB-CE2 4.33Å; I198-Y251 HydrophobicContact CD1-CD2 3.88Å; I198-Y251 HydrophobicContact CD1-CE2 3.77Å; I198-Y251 HydrophobicContact CG1-CD2 4.21Å; I198-Y251 HydrophobicContact CG1-CE2 4.25Å; I198-L277 HydrophobicContact CD1-CD2 4.35Å; I198-I279 HydrophobicContact CD1-CD1 3.74Å; I198-I279 HydrophobicContact CD1-CG1 4Å; I198-I279 HydrophobicContact CD1-CG2 4.34Å; I198-I279 HydrophobicContact CG1-CD1 4.32Å
199Q95.9Very high88.4Confident48 Ų4833.6 Ų33.622%0.22418%0.181CC..EExtended strand (participates in β ladder)trans-110.7131.8177.2-175.8175.132.800110.8L172 D173 I201 M246 D247 T248L172-Q199 CarbonylContact C-O 3.57Å; L172-Q199 VanDerWaalsContact CA-O 3.27Å; L172-Q199 WeakPolarHBondContact CA-O 3.49Å; D173-Q199 HydrophobicContact CB-CB 4.24Å; D173-Q199 PolarHBondContact N-O 2.89Å; D173-Q199 PolarHBondContact O-N 3.33Å; Q199-I201 HydrophobicContact CG-CG2 4.14Å; Q199-I201 PolarHBondContact O-N 3.32Å; Q199-M246 PolarHBondContact NE2-O 3.36Å; Q199-D247 VanDerWaalsContact CA-O 3.32Å; Q199-D247 WeakPolarHBondContact CA-O 3.39Å; Q199-T248 HydrophobicContact CB-CG2 4.41Å; Q199-T248 WeakPolarHBondContact CB-OG1 3.32Å; Q199-T248 WeakPolarHBondContact CG-OG1 3.44Å
200N95.1Very high90.1Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans-78.8113.8169.6178.86.1000109.1L172 T202 S204 L243 Q244 M246 D247L172-N200 HydrophobicContact CD2-CB 4.46Å; N200-T202 WeakPolarHBondContact OD1-CB 3.13Å; N200-T202 PolarHBondContact OD1-N 3.24Å; N200-T202 PolarHBondContact OD1-OG1 3.32Å; N200-S204 PolarHBondContact ND2-O 2.86Å; N200-L243 HydrophobicContact CB-CB 4.4Å; N200-L243 HydrophobicContact CB-CD2 3.63Å; N200-L243 HydrophobicContact CB-CG 3.66Å; N200-L243 PolarHBondContact ND2-O 2.84Å; N200-Q244 WeakPolarHBondContact CB-O 3.45Å; N200-Q244 PolarHBondContact ND2-O 2.75Å; N200-M246 WeakPolarHBondContact O-CA 3.28Å; N200-M246 PolarHBondContact O-N 3.01Å; N200-D247 PolarHBondContact N-O 2.81Å
201I94.8Very high91.3Very high68 Ų6835.7 Ų35.735%0.34919%0.187SC..  trans-103.18.5178.459.3165.4000112.5K170 P171 D173 Q199K170-I201 HydrophobicContact CB-CD1 3.9Å; K170-I201 HydrophobicContact CD-CD1 4.18Å; K170-I201 HydrophobicContact CG-CD1 3.89Å; K170-I201 WeakPolarHBondContact O-CD1 3.24Å; K170-I201 WeakPolarHBondContact O-CG1 3.47Å; P171-I201 VanDerWaalsContact C-CG1 3.47Å; P171-I201 WeakPolarHBondContact O-CG1 3.41Å; P171-I201 PolarHBondContact O-N 2.88Å; P171-I201 VanDerWaalsContact O-N 3.07Å; D173-I201 HydrophobicContact CB-CG2 4.1Å; Q199-I201 HydrophobicContact CG-CG2 4.14Å; Q199-I201 PolarHBondContact O-N 3.32Å
202T91.8Very high92Very high7 Ų735.3 Ų35.34%0.04319%0.186CC..SBendtrans-86.8169.1173.776.80000111.4F75 P171 N200 S204 M206 P245F75-T202 HydrophobicContact CD1-CG2 3.83Å; F75-T202 HydrophobicContact CD2-CG2 4.39Å; F75-T202 HydrophobicContact CE1-CG2 3.45Å; F75-T202 VanDerWaalsContact CE1-CG2 3.45Å; F75-T202 HydrophobicContact CE2-CG2 4.05Å; F75-T202 HydrophobicContact CG-CG2 4.29Å; F75-T202 HydrophobicContact CZ-CG2 3.57Å; P171-T202 HydrophobicContact CB-CG2 3.95Å; P171-T202 WeakPolarHBondContact O-CG2 3.29Å; N200-T202 WeakPolarHBondContact OD1-CB 3.13Å; N200-T202 PolarHBondContact OD1-N 3.24Å; N200-T202 PolarHBondContact OD1-OG1 3.32Å; T202-S204 VanDerWaalsContact C-N 3.28Å; T202-S204 PolarHBondContact OG1-N 3.39Å; T202-S204 PolarHBondContact OG1-O 3.23Å; T202-M206 HydrophobicContact CG2-CE 3.29Å; T202-M206 WeakPolarHBondContact OG1-CE 3.11Å; T202-P245 VanDerWaalsContact O-CB 3.32Å; T202-P245 WeakPolarHBondContact O-CB 3.42Å
203T88.3Confident92.5Very high116 Ų11635.7 Ų35.771%0.71219%0.188SC*.SBendtrans-85.10.1177.1560000113.5P245T203-P245 VanDerWaalsContact C-CG 3.48Å; T203-P245 WeakPolarHBondContact O-CG 3.35Å
204S86.9Confident92.7Very high61 Ų6136.9 Ų36.943%0.42719%0.194SC..SBendtrans-125.1147.8-173.6-59.90000111.1N200 T202N200-S204 PolarHBondContact ND2-O 2.86Å; T202-S204 VanDerWaalsContact C-N 3.28Å; T202-S204 PolarHBondContact OG1-N 3.39Å; T202-S204 PolarHBondContact OG1-O 3.23Å
205P89.4Confident92.6Very high58 Ų5840.1 Ų40.138%0.37722%0.215SC..  trans-66.3147.6175.127.6-34.1000111.4L243P205-L243 WeakPolarHBondContact CA-O 3.49Å
206M91.6Very high92.2Very high2 Ų240.4 Ų40.41%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-124.2138177.1-65.5-177.3170.600110.4P171 L172 T202 Y242 L243 W281 T283P171-M206 HydrophobicContact CB-CE 3.93Å; L172-M206 HydrophobicContact CD2-SD 3.86Å; T202-M206 HydrophobicContact CG2-CE 3.29Å; T202-M206 WeakPolarHBondContact OG1-CE 3.11Å; M206-Y242 CarbonylContact O-C 3.6Å; M206-Y242 WeakPolarHBondContact O-CA 3.47Å; M206-L243 PolarHBondContact N-O 2.9Å; M206-L243 PolarHBondContact O-N 2.88Å; M206-W281 HydrophobicContact CB-CB 4.47Å; M206-W281 HydrophobicContact SD-CG 4.1Å; M206-T283 HydrophobicContact CE-CG2 4.29Å; M206-T283 HydrophobicContact CG-CG2 4.41Å
207F91.6Very high91.7Very high69 Ų6948 Ų4830%0.30326%0.257SS..EExtended strand (participates in β ladder)trans-90120.7169.1178.1-102000109.7E209 Y242 W281 K282F207-E209 HydrophobicContact CD1-CB 4.3Å; F207-E209 HydrophobicContact CE1-CB 4.17Å; F207-E209 PolarHBondContact O-N 2.73Å; F207-Y242 HydrophobicContact CB-CD1 3.85Å; F207-Y242 HydrophobicContact CB-CE1 3.71Å; F207-Y242 HydrophobicContact CD2-CD1 4.16Å; F207-Y242 AromaticContact CD2-CE1 3.99Å; F207-Y242 HydrophobicContact CD2-CE1 3.99Å; F207-Y242 HydrophobicContact CG-CE1 4.28Å; F207-W281 CarbonylContact O-C 3.46Å; F207-W281 WeakPolarHBondContact O-CA 3.41Å; F207-W281 WeakPolarHBondContact O-CB 3.4Å; F207-K282 HydrophobicContact CB-CB 4.41Å; F207-K282 PolarHBondContact N-O 3.48Å; F207-K282 PolarHBondContact O-N 2.72Å
208M92.1Very high91Very high7 Ų748.5 Ų48.53%0.03426%0.26CS..EExtended strand (participates in β ladder)trans-81.3103.2175.7-65.6-59.7176.100109.5L172 I198 V211 S241 L243 I279 W281L172-M208 HydrophobicContact CD1-CE 4.15Å; L172-M208 HydrophobicContact CD2-CE 3.74Å; I198-M208 HydrophobicContact CG2-CE 4.01Å; M208-V211 HydrophobicContact CB-CG2 4.25Å; M208-V211 HydrophobicContact SD-CG2 4.47Å; M208-S241 PolarHBondContact N-O 2.75Å; M208-S241 PolarHBondContact O-OG 2.83Å; M208-L243 HydrophobicContact CE-CB 4.08Å; M208-L243 HydrophobicContact CE-CD2 3.34Å; M208-L243 HydrophobicContact CE-CG 4.35Å; M208-I279 HydrophobicContact SD-CG2 4.35Å; M208-W281 HydrophobicContact SD-CB 3.96Å
209E89.9Confident90.5Very high80 Ų8048.8 Ų48.837%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-77.5-41.8179.6177.5172.8-139.300111.2F207 V280 K282F207-E209 HydrophobicContact CD1-CB 4.3Å; F207-E209 HydrophobicContact CE1-CB 4.17Å; F207-E209 PolarHBondContact O-N 2.73Å; E209-V280 HydrophobicContact CB-CB 4.5Å; E209-V280 HydrophobicContact CB-CG1 4.23Å; E209-V280 HydrophobicContact CG-CG1 4.48Å; E209-V280 PolarHBondContact N-O 2.81Å; E209-V280 VanDerWaalsContact OE2-CG1 3.28Å; E209-V280 WeakPolarHBondContact OE2-CG1 3.34Å; E209-K282 VanDerWaalsContact CD-CE 3.45Å; E209-K282 VanDerWaalsContact OE1-CE 3.27Å; E209-K282 WeakPolarHBondContact OE1-CE 3.25Å; E209-K282 IonicContact OE1-NZ 3.69Å; E209-K282 PolarHBondContact OE1-NZ 3.01Å; E209-K282 VanDerWaalsContact OE2-CE 3.23Å; E209-K282 WeakPolarHBondContact OE2-CE 3.48Å; E209-K282 IonicContact OE2-NZ 3.15Å
210K90.1Very high90.1Very high92 Ų9250.6 Ų50.640%0.427%0.272SS..EExtended strand (participates in β ladder)trans-150.7133.1-179.6-172.4-175.4178.5-138.80110.4S212 D278 I279 V280K210-S212 WeakPolarHBondContact CE-OG 3.42Å; K210-S212 PolarHBondContact NZ-OG 2.84Å; K210-S212 VanDerWaalsContact NZ-OG 3.11Å; K210-D278 IonicContact NZ-OD2 3.65Å; K210-D278 PolarHBondContact NZ-OD2 3.39Å; K210-I279 CarbonylContact O-C 3.57Å; K210-I279 WeakPolarHBondContact O-CA 3.37Å; K210-V280 HydrophobicContact CB-CB 3.98Å; K210-V280 HydrophobicContact CB-CG2 4.18Å; K210-V280 PolarHBondContact N-O 2.92Å; K210-V280 PolarHBondContact O-N 2.83Å
211V92.8Very high89.9Confident13 Ų1352.4 Ų52.48%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-136.891.1170.6-1710000107.4I198 M208 Y251 Y253 L277 I279I198-V211 HydrophobicContact CD1-CB 4.47Å; I198-V211 HydrophobicContact CD1-CG1 3.37Å; I198-V211 HydrophobicContact CD1-CG2 4.23Å; M208-V211 HydrophobicContact CB-CG2 4.25Å; M208-V211 HydrophobicContact SD-CG2 4.47Å; V211-Y251 HydrophobicContact CB-CD1 3.98Å; V211-Y251 HydrophobicContact CB-CE1 3.67Å; V211-Y251 HydrophobicContact CB-CE2 4.37Å; V211-Y251 HydrophobicContact CB-CG 4.44Å; V211-Y251 HydrophobicContact CG1-CD1 3.94Å; V211-Y251 HydrophobicContact CG1-CD2 3.94Å; V211-Y251 HydrophobicContact CG1-CE1 4.02Å; V211-Y251 HydrophobicContact CG1-CE2 4.03Å; V211-Y251 HydrophobicContact CG1-CG 3.91Å; V211-Y251 HydrophobicContact CG2-CE1 3.83Å; V211-Y251 HydrophobicContact CG2-CE2 4.13Å; V211-Y253 WeakPolarHBondContact CG1-OH 3.49Å; V211-Y253 PolarHBondContact O-OH 2.82Å; V211-L277 HydrophobicContact CG1-CD1 4.34Å; V211-I279 HydrophobicContact CG1-CG1 4.42Å; V211-I279 HydrophobicContact CG2-CG2 4.34Å
212S93.5Very high89.7Confident14 Ų1452.5 Ų52.510%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-122.2144.1-173.562.30000111.5K210 E223 D278K210-S212 WeakPolarHBondContact CE-OG 3.42Å; K210-S212 PolarHBondContact NZ-OG 2.84Å; K210-S212 VanDerWaalsContact NZ-OG 3.11Å; S212-E223 WeakPolarHBondContact CA-OE1 3.37Å; S212-E223 WeakPolarHBondContact CB-OE1 3.44Å; S212-D278 PolarHBondContact N-O 2.83Å; S212-D278 PolarHBondContact O-N 2.9Å
213L94.3Very high89.7Confident8 Ų856.5 Ų56.54%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-94.1114.4172.1178.569.9000109.7L194 P215 V221 Y253 L255 L277 L296L194-L213 HydrophobicContact CD2-CD1 3.69Å; L194-L213 HydrophobicContact CD2-CD2 3.66Å; L194-L213 HydrophobicContact CD2-CG 4.28Å; L213-P215 VanDerWaalsContact O-CD 3.25Å; L213-P215 WeakPolarHBondContact O-CD 2.85Å; L213-V221 HydrophobicContact CB-CG1 4.18Å; L213-V221 HydrophobicContact CD2-CG1 4.05Å; L213-V221 HydrophobicContact CD2-CG2 3.73Å; L213-V221 HydrophobicContact CG-CG1 4.46Å; L213-V221 HydrophobicContact CG-CG2 4.22Å; L213-Y253 HydrophobicContact CB-CD1 3.8Å; L213-Y253 HydrophobicContact CB-CD2 4.35Å; L213-Y253 HydrophobicContact CB-CE1 3.95Å; L213-Y253 HydrophobicContact CB-CE2 4.47Å; L213-Y253 HydrophobicContact CB-CG 4.03Å; L213-Y253 HydrophobicContact CD2-CD1 4.48Å; L213-Y253 HydrophobicContact CD2-CD2 4.47Å; L213-Y253 HydrophobicContact CD2-CG 4.04Å; L213-L255 HydrophobicContact CD2-CD1 4.09Å; L213-L255 HydrophobicContact CD2-CD2 4.06Å; L213-L255 HydrophobicContact CD2-CG 4.24Å; L213-L277 HydrophobicContact CB-CD1 4.45Å; L213-L296 HydrophobicContact CD1-CD1 4.08Å
214E93.4Very high89.7Confident76 Ų7654.4 Ų54.436%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-78.5111.2171.1-66.3-177.9162.800109.3G275 K276 D278 Q292E214-G275 CarbonylContact O-C 3.55Å; E214-G275 WeakPolarHBondContact O-CA 3.42Å; E214-K276 PolarHBondContact N-O 3.23Å; E214-K276 PolarHBondContact O-N 2.87Å; E214-D278 HydrophobicContact CG-CB 4.4Å; E214-Q292 PolarHBondContact OE2-NE2 2.78Å
215P90.4Very high89.7Confident68 Ų6852.1 Ų52.144%0.44227%0.273SS..EExtended strand (participates in β ladder)trans-69.6149.8-176.624.4-31.4000113.1L213 Y219 V221L213-P215 VanDerWaalsContact O-CD 3.25Å; L213-P215 WeakPolarHBondContact O-CD 2.85Å; P215-Y219 WeakPolarHBondContact CB-O 3.45Å; P215-V221 HydrophobicContact CB-CB 4.44Å; P215-V221 HydrophobicContact CB-CG2 3.66Å; P215-V221 HydrophobicContact CG-CG2 4.24Å
216S88.3Confident89.5Confident25 Ų2553.3 Ų53.318%0.17528%0.279CS..  trans-63.4160.7159.3175.30000111M218 Y219 V273 I274S216-M218 PolarHBondContact O-N 2.95Å; S216-Y219 PolarHBondContact O-N 3.06Å; S216-Y219 VanDerWaalsContact O-N 3.17Å; S216-V273 WeakPolarHBondContact CB-O 3.38Å; S216-V273 PolarHBondContact OG-O 2.81Å; S216-V273 VanDerWaalsContact OG-O 3.11Å; S216-I274 WeakPolarHBondContact CB-O 3.19Å; S216-I274 PolarHBondContact N-O 2.89Å
217M84.8Confident89Confident160 Ų16056.8 Ų56.879%0.78830%0.3SS*.THydrogen-bonded Turntrans-57.4-24.6-178.5-57.3-17482.100113.3K258M217-K258 WeakPolarHBondContact O-CD 3.39Å; M217-K258 WeakPolarHBondContact O-CE 3.02Å; M217-K258 PolarHBondContact O-NZ 3Å
218M80.8Confident88.2Confident46 Ų4661.6 Ų61.623%0.22732%0.323CS..THydrogen-bonded Turntrans-80.2-20.1-176.1-60.2-175.9-73.500114.7S216 K258 F261 V273S216-M218 PolarHBondContact O-N 2.95Å; M218-K258 PolarHBondContact O-N 2.89Å; M218-F261 HydrophobicContact CB-CG 4.45Å; M218-F261 HydrophobicContact CG-CD1 4.3Å; M218-F261 HydrophobicContact CG-CG 4.37Å; M218-V273 WeakPolarHBondContact CE-O 3.05Å
219Y84.9Confident86.8Confident6 Ų666.1 Ų66.12%0.02435%0.351CS..EExtended strand (participates in β ladder)trans-122.2150-169.6-66.2-86.3000112P215 S216 L255 K256 P257 I274P215-Y219 WeakPolarHBondContact CB-O 3.45Å; S216-Y219 PolarHBondContact O-N 3.06Å; S216-Y219 VanDerWaalsContact O-N 3.17Å; Y219-L255 HydrophobicContact CD1-CB 4.02Å; Y219-L255 HydrophobicContact CD1-CD2 4.48Å; Y219-L255 HydrophobicContact CG-CB 4.46Å; Y219-L255 HydrophobicContact CG-CD2 4.12Å; Y219-K256 CarbonylContact C-O 3.53Å; Y219-K256 WeakPolarHBondContact CA-O 3.47Å; Y219-P257 HydrophobicContact CD1-CG 4.29Å; Y219-P257 HydrophobicContact CE1-CB 4.38Å; Y219-P257 HydrophobicContact CE1-CG 3.91Å; Y219-I274 HydrophobicContact CD2-CD1 4.37Å; Y219-I274 HydrophobicContact CE2-CD1 3.78Å
220N88.1Confident85.9Confident86 Ų8665.6 Ų65.646%0.4637%0.368SS..EExtended strand (participates in β ladder)trans-98.8143159-68.8-24.3000108.2L255 K256 K258N220-L255 CarbonylContact O-C 3.56Å; N220-L255 VanDerWaalsContact O-CA 3.31Å; N220-L255 WeakPolarHBondContact O-CA 3.31Å; N220-K256 PolarHBondContact N-O 2.85Å; N220-K256 PolarHBondContact O-N 2.95Å; N220-K258 WeakPolarHBondContact OD1-CE 3.31Å; N220-K258 WeakPolarHBondContact OD1-CG 3.4Å
221V90.6Very high84.5Confident38 Ų3869.9 Ų69.923%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-115.8133.5-179.5168.10000109.6L213 P215 Y253 C254 L255L213-V221 HydrophobicContact CB-CG1 4.18Å; L213-V221 HydrophobicContact CD2-CG1 4.05Å; L213-V221 HydrophobicContact CD2-CG2 3.73Å; L213-V221 HydrophobicContact CG-CG1 4.46Å; L213-V221 HydrophobicContact CG-CG2 4.22Å; P215-V221 HydrophobicContact CB-CB 4.44Å; P215-V221 HydrophobicContact CB-CG2 3.66Å; P215-V221 HydrophobicContact CG-CG2 4.24Å; V221-Y253 HydrophobicContact CG1-CD1 4.15Å; V221-C254 WeakPolarHBondContact CA-O 3.4Å; V221-L255 HydrophobicContact CG2-CD2 3.43Å; V221-L255 VanDerWaalsContact CG2-CD2 3.43Å; V221-L255 HydrophobicContact CG2-CG 3.87Å
222T90.6Very high83.1Confident71 Ų7176.8 Ų76.844%0.43643%0.426SS..EExtended strand (participates in β ladder)trans-118122.7169.4-54.70000108.1L224 C254T222-L224 HydrophobicContact CG2-CD2 4.27Å; T222-C254 PolarHBondContact N-O 2.95Å; T222-C254 PolarHBondContact O-N 2.92Å
223E90.9Very high81.8Confident90 Ų9078.8 Ų78.842%0.42145%0.45SS..EExtended strand (participates in β ladder)trans-78.7130176-51-165.8162.800109.5S212 Y253S212-E223 WeakPolarHBondContact CA-OE1 3.37Å; S212-E223 WeakPolarHBondContact CB-OE1 3.44Å; E223-Y253 HydrophobicContact CB-CD1 4.23Å; E223-Y253 HydrophobicContact CB-CE1 4.3Å; E223-Y253 HydrophobicContact CG-CD1 3.87Å; E223-Y253 HydrophobicContact CG-CE1 3.82Å
224L89Confident81.1Confident72 Ų7282 Ų8238%0.37747%0.47SS..  trans-106.934-178.2-61-179.3000111.6F193 T222 L252 C254F193-L224 HydrophobicContact CD1-CD1 3.99Å; F193-L224 HydrophobicContact CE1-CD1 3.66Å; T222-L224 HydrophobicContact CG2-CD2 4.27Å; L224-L252 HydrophobicContact CB-CB 4.19Å; L224-L252 HydrophobicContact CB-CD2 4.18Å; L224-L252 HydrophobicContact CB-CG 4.21Å; L224-L252 HydrophobicContact CD1-CD2 3.88Å; L224-L252 HydrophobicContact CD1-CG 4.1Å; L224-L252 PolarHBondContact N-O 3.1Å; L224-C254 HydrophobicContact CD1-CB 3.85Å; L224-C254 HydrophobicContact CG-CB 4.24Å
225N86.9Confident80.5Confident14 Ų1480.7 Ų80.78%0.07547%0.469CS..  trans-101.68.2-173.5-56.1-55.1000113.1T236 F237 Y251 L252N225-T236 WeakPolarHBondContact O-CB 3.44Å; N225-T236 WeakPolarHBondContact O-CG2 3.4Å; N225-T236 PolarHBondContact O-N 3.45Å; N225-T236 PolarHBondContact O-OG1 2.57Å; N225-F237 HydrophobicContact CB-CE2 4.05Å; N225-Y251 VanDerWaalsContact OD1-CA 3.32Å; N225-Y251 WeakPolarHBondContact OD1-CA 3.41Å; N225-L252 PolarHBondContact OD1-N 2.85Å
226T84.6Confident80.1Confident83 Ų8380.6 Ų80.651%0.50947%0.467SS..EExtended strand (participates in β ladder)trans-125.9139.1-178.850.40000110.8T234T226-T234 CarbonylContact C-O 3.53Å; T226-T234 VanDerWaalsContact CA-O 3.3Å; T226-T234 WeakPolarHBondContact CA-O 3.34Å
227V80.6Confident79.9Confident74 Ų7482 Ų8245%0.44847%0.47SS..EExtended strand (participates in β ladder)trans-103.3119.1172-173.30000108.1T229 T234 T236V227-T229 PolarHBondContact O-N 2.82Å; V227-T234 PolarHBondContact N-O 2.79Å; V227-T234 PolarHBondContact O-N 3.32Å; V227-T234 PolarHBondContact O-OG1 2.95Å; V227-T236 HydrophobicContact CG2-CG2 3.62Å
228E75.2Confident79.5Confident171 Ų17176.6 Ų76.680%0.79946%0.455SS*.EExtended strand (participates in β ladder)trans-76.7111.4173.7-65-175.2164.800108.8
229T63Low79Confident101 Ų10184.9 Ų84.962%0.6249%0.49SS*.  trans-122.575.8176.6-21.90000108.3V227V227-T229 PolarHBondContact O-N 2.82Å
230G70.3Confident78.2Confident70 Ų7090.4 Ų90.472%0.72252%0.517SS*.SBendtrans86.5-146.9-171.200000112.9E232G230-E232 VanDerWaalsContact C-N 3.28Å; G230-E232 PolarHBondContact O-N 3.07Å
231D61.6Low77.6Confident181 Ų18187.5 Ų87.597%0.96850%0.504SS*.SBendtrans-75.8-5.8-178.5-95-10.2000114.3
232E63.9Low77.4Confident158 Ų15890.7 Ų90.774%0.73851%0.512SS*.SBendtrans-118.1119.9177.1-69.4-170.8168.900111.4G230G230-E232 VanDerWaalsContact C-N 3.28Å; G230-E232 PolarHBondContact O-N 3.07Å
233G66.7Low77.4Confident57 Ų5787.3 Ų87.359%0.58849%0.492SS*.EExtended strand (participates in β ladder)trans-77.2120.9172.300000111
234T77.8Confident77.5Confident75 Ų7587.5 Ų87.546%0.4649%0.493SS..EExtended strand (participates in β ladder)trans-101.2143.8175.159.30000110.6T226 V227T226-T234 CarbonylContact C-O 3.53Å; T226-T234 VanDerWaalsContact CA-O 3.3Å; T226-T234 WeakPolarHBondContact CA-O 3.34Å; V227-T234 PolarHBondContact N-O 2.79Å; V227-T234 PolarHBondContact O-N 3.32Å; V227-T234 PolarHBondContact O-OG1 2.95Å
235S81.2Confident77.7Confident48 Ų4886.2 Ų86.234%0.33649%0.488SS..EExtended strand (participates in β ladder)trans-67.2138.1174.5-177.50000110.4F237 G238S235-F237 PolarHBondContact O-N 2.95Å; S235-F237 WeakPolarHBondContact OG-CD2 3.28Å; S235-F237 PolarHBondContact OG-N 3.46Å; S235-G238 PolarHBondContact O-N 2.9Å
236T83.1Confident78Confident67 Ų6791.7 Ų91.741%0.41152%0.515SS..THydrogen-bonded Turntrans-55.4-22.3171.250.80000113N225 V227N225-T236 WeakPolarHBondContact O-CB 3.44Å; N225-T236 WeakPolarHBondContact O-CG2 3.4Å; N225-T236 PolarHBondContact O-N 3.45Å; N225-T236 PolarHBondContact O-OG1 2.57Å; V227-T236 HydrophobicContact CG2-CG2 3.62Å
237F82.6Confident78.4Confident55 Ų5591.5 Ų91.524%0.24151%0.511CS..THydrogen-bonded Turntrans-91.96.8179.8-46.5-62.3000113.6N225 S235 Q250 Y251N225-F237 HydrophobicContact CB-CE2 4.05Å; S235-F237 PolarHBondContact O-N 2.95Å; S235-F237 WeakPolarHBondContact OG-CD2 3.28Å; S235-F237 PolarHBondContact OG-N 3.46Å; F237-Q250 WeakPolarHBondContact CZ-O 3.05Å; F237-Y251 HydrophobicContact CD2-CE1 4.26Å; F237-Y251 AromaticContact CE2-CD1 3.74Å; F237-Y251 HydrophobicContact CE2-CD1 3.74Å; F237-Y251 AromaticContact CE2-CE1 3.4Å; F237-Y251 HydrophobicContact CE2-CE1 3.4Å; F237-Y251 VanDerWaalsContact CE2-CE1 3.4Å; F237-Y251 AromaticContact CZ-CD1 3.87Å; F237-Y251 HydrophobicContact CZ-CD1 3.87Å; F237-Y251 AromaticContact CZ-CE1 3.83Å; F237-Y251 HydrophobicContact CZ-CE1 3.83Å; F237-Y251 HydrophobicContact CZ-CG 4.36Å
238G76.8Confident79.1Confident45 Ų4591.2 Ų91.246%0.46451%0.51SS..  trans79.8-167.4-179.100000114S235 M240S235-G238 PolarHBondContact O-N 2.9Å; G238-M240 VanDerWaalsContact C-N 3.32Å; G238-M240 PolarHBondContact O-N 2.61Å
239K70.1Confident79.9Confident220 Ų22084.6 Ų84.696%0.95748%0.477SS*.SBendtrans-72.3-22.7-174-64.8-177179.9-178.30113.9
240M68.1Low81.4Confident122 Ų12285.2 Ų85.260%0.60147%0.473SS*.  trans-122.8108-170.9-134.987.8-179.700110.6G238 Y242G238-M240 VanDerWaalsContact C-N 3.32Å; G238-M240 PolarHBondContact O-N 2.61Å; M240-Y242 VanDerWaalsContact C-N 3.25Å; M240-Y242 HydrophobicContact CB-CD2 4.07Å; M240-Y242 HydrophobicContact CB-CE2 4.4Å; M240-Y242 HydrophobicContact CE-CE2 3.58Å; M240-Y242 HydrophobicContact CG-CD2 3.32Å; M240-Y242 HydrophobicContact CG-CE2 3.21Å; M240-Y242 PolarHBondContact O-N 2.82Å; M240-Y242 HydrophobicContact SD-CE2 4.23Å
241S76.3Confident82.5Confident26 Ų2682.4 Ų82.418%0.18244%0.441CS..  trans-85.147.7-175.1-161.80000113.5M208 R249M208-S241 PolarHBondContact N-O 2.75Å; M208-S241 PolarHBondContact O-OG 2.83Å; S241-R249 VanDerWaalsContact C-NH1 3.31Å; S241-R249 VanDerWaalsContact C-NH2 3.29Å; S241-R249 PolarHBondContact O-NH1 3.34Å; S241-R249 PolarHBondContact OG-NH1 3.05Å
242Y86.5Confident84.1Confident104 Ų10476.8 Ų76.841%0.40841%0.411SS..EExtended strand (participates in β ladder)trans-91127.3176.1-66.9-71.9000113.9M206 F207 M240 R249M206-Y242 CarbonylContact O-C 3.6Å; M206-Y242 WeakPolarHBondContact O-CA 3.47Å; F207-Y242 HydrophobicContact CB-CD1 3.85Å; F207-Y242 HydrophobicContact CB-CE1 3.71Å; F207-Y242 HydrophobicContact CD2-CD1 4.16Å; F207-Y242 AromaticContact CD2-CE1 3.99Å; F207-Y242 HydrophobicContact CD2-CE1 3.99Å; F207-Y242 HydrophobicContact CG-CE1 4.28Å; M240-Y242 VanDerWaalsContact C-N 3.25Å; M240-Y242 HydrophobicContact CB-CD2 4.07Å; M240-Y242 HydrophobicContact CB-CE2 4.4Å; M240-Y242 HydrophobicContact CE-CE2 3.58Å; M240-Y242 HydrophobicContact CG-CD2 3.32Å; M240-Y242 HydrophobicContact CG-CE2 3.21Å; M240-Y242 PolarHBondContact O-N 2.82Å; M240-Y242 HydrophobicContact SD-CE2 4.23Å; Y242-R249 VanDerWaalsContact N-NH2 3.11Å; Y242-R249 PolarHBondContact O-NH2 2.96Å
243L91.1Very high85.5Confident1 Ų169.2 Ų69.21%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-98.8110.8171.3-167.364.4000109.5I198 N200 P205 M206 M208 D247 R249I198-L243 HydrophobicContact CG2-CD2 4.35Å; N200-L243 HydrophobicContact CB-CB 4.4Å; N200-L243 HydrophobicContact CB-CD2 3.63Å; N200-L243 HydrophobicContact CB-CG 3.66Å; N200-L243 PolarHBondContact ND2-O 2.84Å; P205-L243 WeakPolarHBondContact CA-O 3.49Å; M206-L243 PolarHBondContact N-O 2.9Å; M206-L243 PolarHBondContact O-N 2.88Å; M208-L243 HydrophobicContact CE-CB 4.08Å; M208-L243 HydrophobicContact CE-CD2 3.34Å; M208-L243 HydrophobicContact CE-CG 4.35Å; L243-D247 HydrophobicContact CD1-CB 3.52Å; L243-D247 WeakPolarHBondContact CD1-O 3.36Å; L243-D247 HydrophobicContact CG-CB 4.17Å; L243-R249 HydrophobicContact CD1-CB 4.2Å; L243-R249 HydrophobicContact CD1-CG 3.56Å
244Q92.3Very high86.6Confident93 Ų9366.8 Ų66.844%0.43535%0.349SS..  trans-70.5162.8177.6-61.9-65.5-23.900111.1N200 M246 D247N200-Q244 WeakPolarHBondContact CB-O 3.45Å; N200-Q244 PolarHBondContact ND2-O 2.75Å; Q244-M246 PolarHBondContact O-N 2.79Å; Q244-D247 HydrophobicContact CB-CB 4.39Å; Q244-D247 VanDerWaalsContact CB-OD2 3.26Å; Q244-D247 WeakPolarHBondContact CB-OD2 3.34Å; Q244-D247 PolarHBondContact N-OD2 3.07Å; Q244-D247 WeakPolarHBondContact O-CB 3.38Å; Q244-D247 PolarHBondContact O-N 2.82Å; Q244-D247 VanDerWaalsContact O-N 3.13Å
245P92.9Very high87.1Confident45 Ų4563.2 Ų63.229%0.29233%0.327SS..THydrogen-bonded Turntrans-49.5132169.9-30.439.3000111.7T202 T203 D247T202-P245 VanDerWaalsContact O-CB 3.32Å; T202-P245 WeakPolarHBondContact O-CB 3.42Å; T203-P245 VanDerWaalsContact C-CG 3.48Å; T203-P245 WeakPolarHBondContact O-CG 3.35Å; P245-D247 PolarHBondContact O-N 2.88Å; P245-D247 VanDerWaalsContact O-N 3.13Å
246M93.4Very high87.3Confident130 Ų13065 Ų6564%0.6433%0.329SS*.THydrogen-bonded Turntrans68.5-8.8-178.4-52.5-64.1-99.300116.4Q199 N200 Q244Q199-M246 PolarHBondContact NE2-O 3.36Å; N200-M246 WeakPolarHBondContact O-CA 3.28Å; N200-M246 PolarHBondContact O-N 3.01Å; Q244-M246 PolarHBondContact O-N 2.79Å
247D94Very high87.2Confident78 Ų7863 Ų6342%0.41732%0.317SS..  trans-64.4145.2174.3-78.9-3000111Q199 N200 L243 Q244 P245Q199-D247 VanDerWaalsContact CA-O 3.32Å; Q199-D247 WeakPolarHBondContact CA-O 3.39Å; N200-D247 PolarHBondContact N-O 2.81Å; L243-D247 HydrophobicContact CD1-CB 3.52Å; L243-D247 WeakPolarHBondContact CD1-O 3.36Å; L243-D247 HydrophobicContact CG-CB 4.17Å; Q244-D247 HydrophobicContact CB-CB 4.39Å; Q244-D247 VanDerWaalsContact CB-OD2 3.26Å; Q244-D247 WeakPolarHBondContact CB-OD2 3.34Å; Q244-D247 PolarHBondContact N-OD2 3.07Å; Q244-D247 WeakPolarHBondContact O-CB 3.38Å; Q244-D247 PolarHBondContact O-N 2.82Å; Q244-D247 VanDerWaalsContact O-N 3.13Å; P245-D247 PolarHBondContact O-N 2.88Å; P245-D247 VanDerWaalsContact O-N 3.13Å
248T93.8Very high87.1Confident69 Ų6963.6 Ų63.642%0.42332%0.319SS..EExtended strand (participates in β ladder)trans-117.8134174.3-56.70000109.6Q197 I198 Q199Q197-T248 HydrophobicContact CB-CG2 4.13Å; I198-T248 CarbonylContact O-C 3.59Å; I198-T248 WeakPolarHBondContact O-CA 3.31Å; Q199-T248 HydrophobicContact CB-CG2 4.41Å; Q199-T248 WeakPolarHBondContact CB-OG1 3.32Å; Q199-T248 WeakPolarHBondContact CG-OG1 3.44Å
249R92.8Very high87Confident31 Ų3166.5 Ų66.512%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-115.6141.4170.7-78.7173.8-172.5-157-14.6110.6Q197 I198 S241 Y242 L243 Y251Q197-R249 CarbonylContact C-O 3.55Å; Q197-R249 WeakPolarHBondContact CA-O 3.27Å; I198-R249 PolarHBondContact N-O 3.4Å; I198-R249 PolarHBondContact O-N 2.82Å; S241-R249 VanDerWaalsContact C-NH1 3.31Å; S241-R249 VanDerWaalsContact C-NH2 3.29Å; S241-R249 PolarHBondContact O-NH1 3.34Å; S241-R249 PolarHBondContact OG-NH1 3.05Å; Y242-R249 VanDerWaalsContact N-NH2 3.11Å; Y242-R249 PolarHBondContact O-NH2 2.96Å; L243-R249 HydrophobicContact CD1-CB 4.2Å; L243-R249 HydrophobicContact CD1-CG 3.56Å; R249-Y251 HydrophobicContact CB-CD2 4.5Å; R249-Y251 HydrophobicContact CB-CE2 3.78Å
250Q94Very high87.2Confident114 Ų11463.4 Ų63.453%0.53332%0.322SS..EExtended strand (participates in β ladder)trans-109.9120.9-180-60.3173.3-72.400108.4E195 Q197 F237E195-Q250 PolarHBondContact OE1-NE2 3.39Å; Q197-Q250 HydrophobicContact CG-CG 4.18Å; F237-Q250 WeakPolarHBondContact CZ-O 3.05Å
251Y94.1Very high87.2Confident11 Ų1161.1 Ų61.14%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-105.4137175.5-64.1-95.3000108.8E195 A196 I198 V211 N225 F237 R249E195-Y251 CarbonylContact C-O 3.59Å; E195-Y251 WeakPolarHBondContact CA-O 3.42Å; A196-Y251 PolarHBondContact N-O 2.75Å; A196-Y251 PolarHBondContact O-N 2.81Å; I198-Y251 HydrophobicContact CB-CE2 4.33Å; I198-Y251 HydrophobicContact CD1-CD2 3.88Å; I198-Y251 HydrophobicContact CD1-CE2 3.77Å; I198-Y251 HydrophobicContact CG1-CD2 4.21Å; I198-Y251 HydrophobicContact CG1-CE2 4.25Å; V211-Y251 HydrophobicContact CB-CD1 3.98Å; V211-Y251 HydrophobicContact CB-CE1 3.67Å; V211-Y251 HydrophobicContact CB-CE2 4.37Å; V211-Y251 HydrophobicContact CB-CG 4.44Å; V211-Y251 HydrophobicContact CG1-CD1 3.94Å; V211-Y251 HydrophobicContact CG1-CD2 3.94Å; V211-Y251 HydrophobicContact CG1-CE1 4.02Å; V211-Y251 HydrophobicContact CG1-CE2 4.03Å; V211-Y251 HydrophobicContact CG1-CG 3.91Å; V211-Y251 HydrophobicContact CG2-CE1 3.83Å; V211-Y251 HydrophobicContact CG2-CE2 4.13Å; N225-Y251 VanDerWaalsContact OD1-CA 3.32Å; N225-Y251 WeakPolarHBondContact OD1-CA 3.41Å; F237-Y251 HydrophobicContact CD2-CE1 4.26Å; F237-Y251 AromaticContact CE2-CD1 3.74Å; F237-Y251 HydrophobicContact CE2-CD1 3.74Å; F237-Y251 AromaticContact CE2-CE1 3.4Å; F237-Y251 HydrophobicContact CE2-CE1 3.4Å; F237-Y251 VanDerWaalsContact CE2-CE1 3.4Å; F237-Y251 AromaticContact CZ-CD1 3.87Å; F237-Y251 HydrophobicContact CZ-CD1 3.87Å; F237-Y251 AromaticContact CZ-CE1 3.83Å; F237-Y251 HydrophobicContact CZ-CE1 3.83Å; F237-Y251 HydrophobicContact CZ-CG 4.36Å; R249-Y251 HydrophobicContact CB-CD2 4.5Å; R249-Y251 HydrophobicContact CB-CE2 3.78Å
252L94.1Very high86.4Confident63 Ų6362 Ų6233%0.3332%0.317SS..EExtended strand (participates in β ladder)trans-116.2133.6-179.8-171.466000110.6F193 E195 L224 N225F193-L252 HydrophobicContact CB-CD1 4.28Å; F193-L252 HydrophobicContact CD1-CD1 4.44Å; E195-L252 HydrophobicContact CB-CD1 4.44Å; L224-L252 HydrophobicContact CB-CB 4.19Å; L224-L252 HydrophobicContact CB-CD2 4.18Å; L224-L252 HydrophobicContact CB-CG 4.21Å; L224-L252 HydrophobicContact CD1-CD2 3.88Å; L224-L252 HydrophobicContact CD1-CG 4.1Å; L224-L252 PolarHBondContact N-O 3.1Å; N225-L252 PolarHBondContact OD1-N 2.85Å
253Y93.3Very high84.9Confident0 Ų065.9 Ų65.90%034%0.339CS..EExtended strand (participates in β ladder)trans-129.7132.1178.2-54.4-85.2000109.7F193 L194 A196 V211 L213 V221 E223 L277F193-Y253 CarbonylContact C-O 3.52Å; F193-Y253 VanDerWaalsContact CA-O 3.31Å; F193-Y253 WeakPolarHBondContact CA-O 3.3Å; L194-Y253 HydrophobicContact CD2-CD2 4.23Å; L194-Y253 HydrophobicContact CG-CD2 4.31Å; L194-Y253 PolarHBondContact N-O 2.88Å; L194-Y253 PolarHBondContact O-N 2.96Å; A196-Y253 HydrophobicContact CB-CE2 4.15Å; V211-Y253 WeakPolarHBondContact CG1-OH 3.49Å; V211-Y253 PolarHBondContact O-OH 2.82Å; L213-Y253 HydrophobicContact CB-CD1 3.8Å; L213-Y253 HydrophobicContact CB-CD2 4.35Å; L213-Y253 HydrophobicContact CB-CE1 3.95Å; L213-Y253 HydrophobicContact CB-CE2 4.47Å; L213-Y253 HydrophobicContact CB-CG 4.03Å; L213-Y253 HydrophobicContact CD2-CD1 4.48Å; L213-Y253 HydrophobicContact CD2-CD2 4.47Å; L213-Y253 HydrophobicContact CD2-CG 4.04Å; V221-Y253 HydrophobicContact CG1-CD1 4.15Å; E223-Y253 HydrophobicContact CB-CD1 4.23Å; E223-Y253 HydrophobicContact CB-CE1 4.3Å; E223-Y253 HydrophobicContact CG-CD1 3.87Å; E223-Y253 HydrophobicContact CG-CE1 3.82Å; Y253-L277 HydrophobicContact CE2-CD1 4.06Å
254C90.8Very high83Confident6 Ų673 Ų734%0.04137%0.37CS..EExtended strand (participates in β ladder)trans-97.9127.6170.21770000109.2F193 V221 T222 L224F193-C254 HydrophobicContact CD1-CB 4.09Å; F193-C254 HydrophobicContact CE1-CB 3.79Å; F193-C254 HydrophobicContact CZ-CB 4.41Å; V221-C254 WeakPolarHBondContact CA-O 3.4Å; T222-C254 PolarHBondContact N-O 2.95Å; T222-C254 PolarHBondContact O-N 2.92Å; L224-C254 HydrophobicContact CD1-CB 3.85Å; L224-C254 HydrophobicContact CG-CB 4.24Å
255L88.3Confident81Confident0 Ų069.1 Ų69.10%035%0.354CS..EExtended strand (participates in β ladder)trans-111.4123.4177.7-67.4117.2000110.2E191 V192 L194 L213 Y219 N220 V221 I274E191-L255 WeakPolarHBondContact CA-O 3.43Å; V192-L255 HydrophobicContact CB-CB 4.16Å; V192-L255 HydrophobicContact CB-CD1 4.34Å; V192-L255 HydrophobicContact CG1-CD1 4.46Å; V192-L255 PolarHBondContact N-O 2.79Å; V192-L255 WeakPolarHBondContact O-CB 3.41Å; V192-L255 WeakPolarHBondContact O-CD1 3.17Å; V192-L255 PolarHBondContact O-N 3.31Å; L194-L255 HydrophobicContact CB-CD1 3.89Å; L213-L255 HydrophobicContact CD2-CD1 4.09Å; L213-L255 HydrophobicContact CD2-CD2 4.06Å; L213-L255 HydrophobicContact CD2-CG 4.24Å; Y219-L255 HydrophobicContact CD1-CB 4.02Å; Y219-L255 HydrophobicContact CD1-CD2 4.48Å; Y219-L255 HydrophobicContact CG-CB 4.46Å; Y219-L255 HydrophobicContact CG-CD2 4.12Å; N220-L255 CarbonylContact O-C 3.56Å; N220-L255 VanDerWaalsContact O-CA 3.31Å; N220-L255 WeakPolarHBondContact O-CA 3.31Å; V221-L255 HydrophobicContact CG2-CD2 3.43Å; V221-L255 VanDerWaalsContact CG2-CD2 3.43Å; V221-L255 HydrophobicContact CG2-CG 3.87Å; L255-I274 HydrophobicContact CD1-CG2 3.71Å; L255-I274 HydrophobicContact CD2-CG2 3.41Å; L255-I274 VanDerWaalsContact CD2-CG2 3.41Å; L255-I274 HydrophobicContact CG-CG2 4.19Å
256K85.5Confident79Confident86 Ų8668.4 Ų68.437%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-110.9126.8175.5-61.9-171.3-171.1-132.30109.8E191 Y219 N220 K258E191-K256 HydrophobicContact CG-CD 4.37Å; E191-K256 HydrophobicContact CG-CG 3.67Å; E191-K256 WeakPolarHBondContact OE1-CD 3.48Å; E191-K256 WeakPolarHBondContact OE1-CE 3.26Å; E191-K256 IonicContact OE1-NZ 3.87Å; E191-K256 PolarHBondContact OE1-NZ 2.82Å; E191-K256 IonicContact OE2-NZ 3.64Å; Y219-K256 CarbonylContact C-O 3.53Å; Y219-K256 WeakPolarHBondContact CA-O 3.47Å; N220-K256 PolarHBondContact N-O 2.85Å; N220-K256 PolarHBondContact O-N 2.95Å; K256-K258 PolarHBondContact O-N 2.85Å
257P80.3Confident76.9Confident23 Ų2366 Ų6615%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-57.5136.7171.2-18.928.8000110D190 Y219 A262 A265D190-P257 HydrophobicContact CB-CG 4.05Å; D190-P257 WeakPolarHBondContact O-CD 3.36Å; D190-P257 WeakPolarHBondContact O-CG 3.34Å; Y219-P257 HydrophobicContact CD1-CG 4.29Å; Y219-P257 HydrophobicContact CE1-CB 4.38Å; Y219-P257 HydrophobicContact CE1-CG 3.91Å; P257-A262 HydrophobicContact CB-CB 4.48Å; P257-A265 HydrophobicContact CB-CB 4.29Å; P257-A265 HydrophobicContact CG-CB 4.32Å
258K81.8Confident75Confident68 Ų6864.7 Ų64.730%0.29634%0.339SS..  trans-66.6147.4172.2-67.6177.4-176167.40109.8M217 M218 N220 K256 E260 F261 A262M217-K258 WeakPolarHBondContact O-CD 3.39Å; M217-K258 WeakPolarHBondContact O-CE 3.02Å; M217-K258 PolarHBondContact O-NZ 3Å; M218-K258 PolarHBondContact O-N 2.89Å; N220-K258 WeakPolarHBondContact OD1-CE 3.31Å; N220-K258 WeakPolarHBondContact OD1-CG 3.4Å; K256-K258 PolarHBondContact O-N 2.85Å; K258-E260 PolarHBondContact O-N 2.85Å; K258-E260 VanDerWaalsContact O-N 3.07Å; K258-F261 HydrophobicContact CB-CD2 4.21Å; K258-F261 CarbonylContact O-C 3.52Å; K258-F261 WeakPolarHBondContact O-CA 3.3Å; K258-F261 PolarHBondContact O-N 2.9Å; K258-A262 PolarHBondContact O-N 3.11Å
259S73.9Confident73Confident106 Ų10668.1 Ų68.174%0.74135%0.348SS*.Hα-helixtrans-53.1-35.2-175.7-48.50000113.9F261 A262S259-F261 PolarHBondContact O-N 2.86Å; S259-A262 PolarHBondContact O-N 2.96Å
260E73.5Confident71.6Confident156 Ų15668.1 Ų68.173%0.72936%0.358SS*.Hα-helixtrans-60-29.5175.7-62.6171-162.100113.8K258K258-E260 PolarHBondContact O-N 2.85Å; K258-E260 VanDerWaalsContact O-N 3.07Å
261F67.7Low70.2Confident73 Ų7366.7 Ų66.732%0.3236%0.357SS..Hα-helixtrans-106.9-13.6-179.6-59.8-80.3000112.2M218 K258 S259 K264 A265M218-F261 HydrophobicContact CB-CG 4.45Å; M218-F261 HydrophobicContact CG-CD1 4.3Å; M218-F261 HydrophobicContact CG-CG 4.37Å; K258-F261 HydrophobicContact CB-CD2 4.21Å; K258-F261 CarbonylContact O-C 3.52Å; K258-F261 WeakPolarHBondContact O-CA 3.3Å; K258-F261 PolarHBondContact O-N 2.9Å; S259-F261 PolarHBondContact O-N 2.86Å; F261-K264 CarbonylContact O-C 3.6Å; F261-K264 PolarHBondContact O-N 3.28Å; F261-K264 VanDerWaalsContact O-N 3.14Å; F261-A265 WeakPolarHBondContact O-CB 3.44Å; F261-A265 PolarHBondContact O-N 3.1Å
262A61Low69.3Low45 Ų4566.3 Ų66.337%0.37236%0.356SS..Hα-helixtrans-64.3-39.3-178.600000112.8P257 K258 S259 K264 A265P257-A262 HydrophobicContact CB-CB 4.48Å; K258-A262 PolarHBondContact O-N 3.11Å; S259-A262 PolarHBondContact O-N 2.96Å; A262-K264 PolarHBondContact O-N 3.01Å; A262-A265 VanDerWaalsContact O-CB 3.28Å; A262-A265 WeakPolarHBondContact O-CB 3.5Å; A262-A265 PolarHBondContact O-N 3.33Å
263E54.8Low68.8Low185 Ų18565 Ų6586%0.86435%0.35SS*.Hα-helixtrans-66-25.2175.1-68.2-171.616400112.7
264K51.3Low68.5Low152 Ų15265 Ų6566%0.66135%0.35SS*.Hα-helixtrans-92.2-14.6172.5-65.8179.3-178.6174.10112.4F261 A262 G266 V267 I268F261-K264 CarbonylContact O-C 3.6Å; F261-K264 PolarHBondContact O-N 3.28Å; F261-K264 VanDerWaalsContact O-N 3.14Å; A262-K264 PolarHBondContact O-N 3.01Å; K264-G266 PolarHBondContact O-N 2.54Å; K264-V267 CarbonylContact O-C 3.42Å; K264-V267 WeakPolarHBondContact O-CA 3.35Å; K264-V267 PolarHBondContact O-N 3.44Å; K264-I268 PolarHBondContact O-N 3.43Å
265A50.8Low68.5Low10 Ų1064.9 Ų64.98%0.08335%0.35CS..Hα-helixtrans-64.4-39.4-174.500000112.5D190 P257 F261 A262 V267 I268D190-A265 HydrophobicContact CB-CB 4.49Å; D190-A265 VanDerWaalsContact OD2-C 3.31Å; D190-A265 WeakPolarHBondContact OD2-CB 3.36Å; P257-A265 HydrophobicContact CB-CB 4.29Å; P257-A265 HydrophobicContact CG-CB 4.32Å; F261-A265 WeakPolarHBondContact O-CB 3.44Å; F261-A265 PolarHBondContact O-N 3.1Å; A262-A265 VanDerWaalsContact O-CB 3.28Å; A262-A265 WeakPolarHBondContact O-CB 3.5Å; A262-A265 PolarHBondContact O-N 3.33Å; A265-V267 PolarHBondContact O-N 2.87Å; A265-I268 HydrophobicContact CB-CD1 4.01Å; A265-I268 PolarHBondContact O-N 2.91Å
266G50.6Low68.7Low30 Ų3068.3 Ų68.331%0.30937%0.365SS..THydrogen-bonded Turntrans-60.9-10172.300000114.7D190 K264D190-G266 PolarHBondContact OD2-N 2.69Å; K264-G266 PolarHBondContact O-N 2.54Å
267V48.6Very low69.2Low81 Ų8164.2 Ų64.249%0.49135%0.347SS..THydrogen-bonded Turntrans-122.910.7178.7-162.10000111.7K264 A265 K269K264-V267 CarbonylContact O-C 3.42Å; K264-V267 WeakPolarHBondContact O-CA 3.35Å; K264-V267 PolarHBondContact O-N 3.44Å; A265-V267 PolarHBondContact O-N 2.87Å; V267-K269 VanDerWaalsContact C-N 3.35Å; V267-K269 PolarHBondContact O-N 2.77Å
268I53.6Low69.9Low49 Ų4963.3 Ų63.325%0.25134%0.341SS..  trans-71.496.2176.1-62.6167.3000108.8K264 A265 T272 A300K264-I268 PolarHBondContact O-N 3.43Å; A265-I268 HydrophobicContact CB-CD1 4.01Å; A265-I268 PolarHBondContact O-N 2.91Å; I268-T272 HydrophobicContact CB-CG2 4.4Å; I268-T272 HydrophobicContact CG2-CG2 3.17Å; I268-A300 HydrophobicContact CG2-CB 4.45Å; I268-A300 WeakPolarHBondContact O-CB 3.46Å
269K53.2Low70.5Confident141 Ų14160 Ų6061%0.61333%0.327SS*.  trans-89.3127.9173.8-66.3-179.9-179178.40108.9V267 C332V267-K269 VanDerWaalsContact C-N 3.35Å; V267-K269 PolarHBondContact O-N 2.77Å; K269-C332 PolarHBondContact NZ-O 2.93Å; K269-C332 VanDerWaalsContact NZ-O 3.08Å
270G62.7Low71.5Confident31 Ų3155.4 Ų55.432%0.3229%0.294SS..SBendtrans99.4-151.6169.200000115.7T272 A300G270-T272 PolarHBondContact O-N 2.96Å; G270-A300 WeakPolarHBondContact O-CB 3.33Å; G270-A300 PolarHBondContact O-N 3.39Å
271V63.6Low72.4Confident85 Ų8548 Ų4852%0.51526%0.259SS..EExtended strand (participates in β ladder)trans-75.1121.9-174-175.20000110.2Q297 M299V271-Q297 HydrophobicContact CG1-CB 3.72Å; V271-Q297 HydrophobicContact CG1-CG 3.87Å; V271-M299 HydrophobicContact CB-SD 4.22Å; V271-M299 HydrophobicContact CG2-SD 3.34Å; V271-M299 WeakPolarHBondContact CG2-SD 3.4Å
272T75.9Confident73.5Confident3 Ų347.9 Ų47.92%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-107.3133.2174.257.60000110.8I268 G270 Q297 R298 A300I268-T272 HydrophobicContact CB-CG2 4.4Å; I268-T272 HydrophobicContact CG2-CG2 3.17Å; G270-T272 PolarHBondContact O-N 2.96Å; T272-Q297 WeakPolarHBondContact O-CA 3.5Å; T272-R298 PolarHBondContact N-O 3.04Å; T272-R298 PolarHBondContact O-N 3.11Å; T272-R298 PolarHBondContact OG1-O 2.84Å; T272-A300 HydrophobicContact CG2-CB 4.24Å
273V84.1Confident74.7Confident35 Ų3546.9 Ų46.921%0.21225%0.248CC..EExtended strand (participates in β ladder)trans-85.1117.6172.4178.70000108.5S216 M218 Q295 Q297S216-V273 WeakPolarHBondContact CB-O 3.38Å; S216-V273 PolarHBondContact OG-O 2.81Å; S216-V273 VanDerWaalsContact OG-O 3.11Å; M218-V273 WeakPolarHBondContact CE-O 3.05Å; V273-Q295 HydrophobicContact CG1-CB 4.07Å; V273-Q295 HydrophobicContact CG1-CG 4.16Å; V273-Q297 HydrophobicContact CG2-CG 4.36Å
274I85.7Confident75.5Confident0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-88.9-47.1-176.4-62.2-54.9000110.9F178 S216 Y219 L255 L296 R298F178-I274 HydrophobicContact CE1-CB 4.25Å; F178-I274 HydrophobicContact CE1-CG1 3.8Å; F178-I274 HydrophobicContact CE1-CG2 4.18Å; F178-I274 HydrophobicContact CZ-CG1 4.38Å; S216-I274 WeakPolarHBondContact CB-O 3.19Å; S216-I274 PolarHBondContact N-O 2.89Å; Y219-I274 HydrophobicContact CD2-CD1 4.37Å; Y219-I274 HydrophobicContact CE2-CD1 3.78Å; L255-I274 HydrophobicContact CD1-CG2 3.71Å; L255-I274 HydrophobicContact CD2-CG2 3.41Å; L255-I274 VanDerWaalsContact CD2-CG2 3.41Å; L255-I274 HydrophobicContact CG-CG2 4.19Å; I274-L296 PolarHBondContact N-O 2.89Å; I274-R298 HydrophobicContact CD1-CB 4.08Å; I274-R298 HydrophobicContact CG1-CB 3.78Å
275G90.4Very high76.5Confident3 Ų338.9 Ų38.93%0.03122%0.218CC..EExtended strand (participates in β ladder)trans161.6-162.8-174.200000113.2E214 Q295 L296E214-G275 CarbonylContact O-C 3.55Å; E214-G275 WeakPolarHBondContact O-CA 3.42Å; G275-Q295 CarbonylContact O-C 3.59Å; G275-Q295 WeakPolarHBondContact O-CA 3.34Å; G275-L296 WeakPolarHBondContact O-CB 3.4Å; G275-L296 PolarHBondContact O-N 2.86Å
276K94.2Very high77.6Confident72 Ų7240.1 Ų40.131%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-132.4142.9174.1-62.7177.5-176.6176.30109.6E214 Q292 Q295E214-K276 PolarHBondContact N-O 3.23Å; E214-K276 PolarHBondContact O-N 2.87Å; K276-Q292 HydrophobicContact CB-CG 4.38Å; K276-Q295 HydrophobicContact CD-CG 4.48Å; K276-Q295 HydrophobicContact CG-CG 4.13Å
277L95Very high79Confident0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-89128.5174.4-166.968.9000109.1V174 A196 I198 V211 L213 Y253 I279 Q292 T293V174-L277 HydrophobicContact CG1-CD2 3.9Å; A196-L277 HydrophobicContact CB-CD2 3.96Å; I198-L277 HydrophobicContact CD1-CD2 4.35Å; V211-L277 HydrophobicContact CG1-CD1 4.34Å; L213-L277 HydrophobicContact CB-CD1 4.45Å; Y253-L277 HydrophobicContact CE2-CD1 4.06Å; L277-I279 HydrophobicContact CD2-CD1 3.82Å; L277-I279 HydrophobicContact CD2-CG1 3.98Å; L277-I279 HydrophobicContact CG-CD1 4.27Å; L277-I279 HydrophobicContact CG-CG1 3.91Å; L277-Q292 VanDerWaalsContact O-CA 3.31Å; L277-Q292 WeakPolarHBondContact O-CA 3.44Å; L277-T293 HydrophobicContact CB-CG2 3.82Å; L277-T293 PolarHBondContact N-OG1 3.23Å; L277-T293 PolarHBondContact O-N 2.86Å
278D95Very high81Confident4 Ų442.9 Ų42.92%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-110.9110.5176.3-178.950.3000108.7K210 S212 E214 R290K210-D278 IonicContact NZ-OD2 3.65Å; K210-D278 PolarHBondContact NZ-OD2 3.39Å; S212-D278 PolarHBondContact N-O 2.83Å; S212-D278 PolarHBondContact O-N 2.9Å; E214-D278 HydrophobicContact CG-CB 4.4Å; D278-R290 IonicContact OD1-CZ 2.64Å; D278-R290 VanDerWaalsContact OD1-CZ 3.28Å; D278-R290 IonicContact OD1-NE 3.36Å; D278-R290 PolarHBondContact OD1-NE 2.92Å; D278-R290 IonicContact OD1-NH2 3.79Å; D278-R290 PolarHBondContact OD1-NH2 3.04Å; D278-R290 IonicContact OD2-NH2 3.07Å
279I94.9Very high82.8Confident0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-114.2126.1-175.3-50.8166.9000108.2L172 V174 I198 M208 K210 V211 L277 W281 R290 L291L172-I279 HydrophobicContact CD1-CG2 3.81Å; V174-I279 HydrophobicContact CG2-CD1 3.69Å; I198-I279 HydrophobicContact CD1-CD1 3.74Å; I198-I279 HydrophobicContact CD1-CG1 4Å; I198-I279 HydrophobicContact CD1-CG2 4.34Å; I198-I279 HydrophobicContact CG1-CD1 4.32Å; M208-I279 HydrophobicContact SD-CG2 4.35Å; K210-I279 CarbonylContact O-C 3.57Å; K210-I279 WeakPolarHBondContact O-CA 3.37Å; V211-I279 HydrophobicContact CG1-CG1 4.42Å; V211-I279 HydrophobicContact CG2-CG2 4.34Å; L277-I279 HydrophobicContact CD2-CD1 3.82Å; L277-I279 HydrophobicContact CD2-CG1 3.98Å; L277-I279 HydrophobicContact CG-CD1 4.27Å; L277-I279 HydrophobicContact CG-CG1 3.91Å; I279-W281 HydrophobicContact CG2-CE3 4.22Å; I279-R290 CarbonylContact O-C 3.58Å; I279-R290 WeakPolarHBondContact O-CA 3.43Å; I279-L291 HydrophobicContact CB-CB 4.46Å; I279-L291 HydrophobicContact CD1-CD2 4.42Å; I279-L291 PolarHBondContact N-O 2.83Å; I279-L291 PolarHBondContact O-N 3.48Å
280V94.3Very high84.7Confident8 Ų838.6 Ų38.65%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-126.9127176.3-174.90000108.8E209 K210 K288 G289 R290E209-V280 HydrophobicContact CB-CB 4.5Å; E209-V280 HydrophobicContact CB-CG1 4.23Å; E209-V280 HydrophobicContact CG-CG1 4.48Å; E209-V280 PolarHBondContact N-O 2.81Å; E209-V280 VanDerWaalsContact OE2-CG1 3.28Å; E209-V280 WeakPolarHBondContact OE2-CG1 3.34Å; K210-V280 HydrophobicContact CB-CB 3.98Å; K210-V280 HydrophobicContact CB-CG2 4.18Å; K210-V280 PolarHBondContact N-O 2.92Å; K210-V280 PolarHBondContact O-N 2.83Å; V280-K288 HydrophobicContact CG1-CD 4.25Å; V280-K288 HydrophobicContact CG1-CG 4.05Å; V280-G289 WeakPolarHBondContact CA-O 3.36Å; V280-R290 HydrophobicContact CG2-CG 4.19Å
281W93.3Very high86.2Confident0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-128.9162.1177.268.995.5000111.6L76 P171 L172 M206 F207 M208 I279 K288 G289 L291L76-W281 WeakPolarHBondContact O-CH2 3.45Å; P171-W281 HydrophobicContact CB-CZ2 4.09Å; P171-W281 HydrophobicContact CG-CH2 3.87Å; P171-W281 HydrophobicContact CG-CZ2 3.67Å; L172-W281 HydrophobicContact CD1-CD2 4.28Å; L172-W281 HydrophobicContact CD1-CE3 3.76Å; L172-W281 HydrophobicContact CD1-CZ3 3.91Å; M206-W281 HydrophobicContact CB-CB 4.47Å; M206-W281 HydrophobicContact SD-CG 4.1Å; F207-W281 CarbonylContact O-C 3.46Å; F207-W281 WeakPolarHBondContact O-CA 3.41Å; F207-W281 WeakPolarHBondContact O-CB 3.4Å; M208-W281 HydrophobicContact SD-CB 3.96Å; I279-W281 HydrophobicContact CG2-CE3 4.22Å; W281-K288 WeakPolarHBondContact O-CA 3.31Å; W281-G289 PolarHBondContact N-O 2.79Å; W281-G289 PolarHBondContact O-N 2.87Å; W281-L291 HydrophobicContact CH2-CB 3.92Å; W281-L291 HydrophobicContact CZ3-CB 3.54Å
282K90.6Very high87.6Confident72 Ų7238.1 Ų38.131%0.31319%0.191SC..EExtended strand (participates in β ladder)trans-121.6133.3168.4-69.8176.6-1791590109.9F207 E209 E287F207-K282 HydrophobicContact CB-CB 4.41Å; F207-K282 PolarHBondContact N-O 3.48Å; F207-K282 PolarHBondContact O-N 2.72Å; E209-K282 VanDerWaalsContact CD-CE 3.45Å; E209-K282 VanDerWaalsContact OE1-CE 3.27Å; E209-K282 WeakPolarHBondContact OE1-CE 3.25Å; E209-K282 IonicContact OE1-NZ 3.69Å; E209-K282 PolarHBondContact OE1-NZ 3.01Å; E209-K282 VanDerWaalsContact OE2-CE 3.23Å; E209-K282 WeakPolarHBondContact OE2-CE 3.48Å; E209-K282 IonicContact OE2-NZ 3.15Å; K282-E287 CarbonylContact C-O 3.59Å; K282-E287 WeakPolarHBondContact CA-O 3.27Å
283T84.9Confident88.3Confident23 Ų2339.3 Ų39.314%0.14120%0.198CC..  trans-90.6-174.7169.868.30000109.5M206 L285 G286 E287M206-T283 HydrophobicContact CE-CG2 4.29Å; M206-T283 HydrophobicContact CG-CG2 4.41Å; T283-L285 PolarHBondContact O-N 3.13Å; T283-G286 PolarHBondContact O-N 2.77Å; T283-G286 VanDerWaalsContact O-N 3.12Å; T283-E287 PolarHBondContact N-O 3.44Å; T283-E287 WeakPolarHBondContact OG1-CB 3.38Å
284N73.6Confident88.6Confident97 Ų9742.2 Ų42.252%0.51922%0.221SC..G310 helixtrans-54.3138.1178.6-161.215.5000111G286N284-G286 PolarHBondContact O-N 3.06Å; N284-G286 VanDerWaalsContact O-N 3.17Å
285L71.8Confident88.9Confident73 Ų7347.2 Ų47.238%0.38224%0.244SC..G310 helixtrans58.824.1-178.4-59.4163.9000115P22 L65 T283P22-L285 WeakPolarHBondContact O-CD1 3.26Å; L65-L285 HydrophobicContact CD2-CD1 4.25Å; T283-L285 PolarHBondContact O-N 3.13Å
286G73.9Confident88.9Confident36 Ų3647.9 Ų47.937%0.37125%0.247SC..G310 helixtrans76.626.5161.800000114.6K21 T283 N284 K288K21-G286 PolarHBondContact NZ-O 3.3Å; T283-G286 PolarHBondContact O-N 2.77Å; T283-G286 VanDerWaalsContact O-N 3.12Å; N284-G286 PolarHBondContact O-N 3.06Å; N284-G286 VanDerWaalsContact O-N 3.17Å; G286-K288 PolarHBondContact O-N 2.87Å
287E80.7Confident88.5Confident54 Ų5450.1 Ų50.125%0.25226%0.258SS..  trans-64.4130.5159.3-52.8-179.7141.200108.4K21 K282 T283K21-E287 HydrophobicContact CB-CG 4.39Å; K21-E287 HydrophobicContact CD-CG 3.56Å; K21-E287 HydrophobicContact CG-CG 3.99Å; K282-E287 CarbonylContact C-O 3.59Å; K282-E287 WeakPolarHBondContact CA-O 3.27Å; T283-E287 PolarHBondContact N-O 3.44Å; T283-E287 WeakPolarHBondContact OG1-CB 3.38Å
288K88.6Confident87.8Confident114 Ų11451.2 Ų51.250%0.49626%0.262SS..EExtended strand (participates in β ladder)trans-102.4130-176-174.8-178.7-174.7177.60108.2V280 W281 G286V280-K288 HydrophobicContact CG1-CD 4.25Å; V280-K288 HydrophobicContact CG1-CG 4.05Å; W281-K288 WeakPolarHBondContact O-CA 3.31Å; G286-K288 PolarHBondContact O-N 2.87Å
289G91.4Very high86.7Confident1 Ų157.1 Ų57.11%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-114148.4167.600000110.8G77 V280 W281G77-G289 VanDerWaalsContact O-CA 3.31Å; G77-G289 WeakPolarHBondContact O-CA 3.25Å; V280-G289 WeakPolarHBondContact CA-O 3.36Å; W281-G289 PolarHBondContact N-O 2.79Å; W281-G289 PolarHBondContact O-N 2.87Å
290R94.2Very high85.2Confident99 Ų9957.8 Ų57.837%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-133.2132173.7-177.5179.7-173.9-158.90.5110.5G77 D278 I279 V280G77-R290 WeakPolarHBondContact CA-O 3.44Å; G77-R290 PolarHBondContact O-N 2.87Å; D278-R290 IonicContact OD1-CZ 2.64Å; D278-R290 VanDerWaalsContact OD1-CZ 3.28Å; D278-R290 IonicContact OD1-NE 3.36Å; D278-R290 PolarHBondContact OD1-NE 2.92Å; D278-R290 IonicContact OD1-NH2 3.79Å; D278-R290 PolarHBondContact OD1-NH2 3.04Å; D278-R290 IonicContact OD2-NH2 3.07Å; I279-R290 CarbonylContact O-C 3.58Å; I279-R290 WeakPolarHBondContact O-CA 3.43Å; V280-R290 HydrophobicContact CG2-CG 4.19Å
291L93.8Very high83.8Confident28 Ų2858.9 Ų58.915%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-128.7123.6175-178.365.5000108.5L76 L172 V174 I279 W281L76-L291 HydrophobicContact CD2-CD1 3.56Å; L76-L291 HydrophobicContact CG-CD1 4.15Å; L172-L291 HydrophobicContact CB-CD2 4.41Å; V174-L291 HydrophobicContact CG2-CD2 4.22Å; I279-L291 HydrophobicContact CB-CB 4.46Å; I279-L291 HydrophobicContact CD1-CD2 4.42Å; I279-L291 PolarHBondContact N-O 2.83Å; I279-L291 PolarHBondContact O-N 3.48Å; W281-L291 HydrophobicContact CH2-CB 3.92Å; W281-L291 HydrophobicContact CZ3-CB 3.54Å
292Q92.8Very high82.2Confident78 Ų7862.8 Ų62.836%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-111.9130.7171.4-165.717712.900109.1E214 K276 L277E214-Q292 PolarHBondContact OE2-NE2 2.78Å; K276-Q292 HydrophobicContact CB-CG 4.38Å; L277-Q292 VanDerWaalsContact O-CA 3.31Å; L277-Q292 WeakPolarHBondContact O-CA 3.44Å
293T91.4Very high80.9Confident28 Ų2862.1 Ų62.117%0.17234%0.34CS..PPolyproline II helixtrans-75.5162.4175.768.10000111V174 L277V174-T293 HydrophobicContact CG1-CG2 4.27Å; L277-T293 HydrophobicContact CB-CG2 3.82Å; L277-T293 PolarHBondContact N-OG1 3.23Å; L277-T293 PolarHBondContact O-N 2.86Å
294S90.6Very high80.3Confident97 Ų9763.1 Ų63.168%0.67836%0.355SS*.PPolyproline II helixtrans-62170.7161.755.70000110.9L296S294-L296 PolarHBondContact O-N 3.46Å; S294-L296 VanDerWaalsContact O-N 3.1Å
295Q91Very high80.7Confident104 Ų10460.2 Ų60.249%0.48634%0.34SS..PPolyproline II helixtrans-58.8117.6174.6-74.8-172.9-2.400110.1V273 G275 K276 Q297V273-Q295 HydrophobicContact CG1-CB 4.07Å; V273-Q295 HydrophobicContact CG1-CG 4.16Å; G275-Q295 CarbonylContact O-C 3.59Å; G275-Q295 WeakPolarHBondContact O-CA 3.34Å; K276-Q295 HydrophobicContact CD-CG 4.48Å; K276-Q295 HydrophobicContact CG-CG 4.13Å; Q295-Q297 PolarHBondContact O-N 3.24Å
296L90.3Very high81.2Confident18 Ų1856.8 Ų56.89%0.09432%0.322CS..EExtended strand (participates in β ladder)trans-71.3123.4174.4-64178.9000108.6T176 F178 L194 L213 I274 G275 S294T176-L296 HydrophobicContact CG2-CD1 4.18Å; T176-L296 HydrophobicContact CG2-CD2 4.04Å; F178-L296 HydrophobicContact CZ-CB 4.17Å; L194-L296 HydrophobicContact CD2-CD1 3.8Å; L213-L296 HydrophobicContact CD1-CD1 4.08Å; I274-L296 PolarHBondContact N-O 2.89Å; G275-L296 WeakPolarHBondContact O-CB 3.4Å; G275-L296 PolarHBondContact O-N 2.86Å; S294-L296 PolarHBondContact O-N 3.46Å; S294-L296 VanDerWaalsContact O-N 3.1Å
297Q86.7Confident81.7Confident119 Ų11955.7 Ų55.756%0.55631%0.307SS*.EExtended strand (participates in β ladder)trans-113.1137.4-178.2-72.9-177.6-13.500109.7V271 T272 V273 Q295V271-Q297 HydrophobicContact CG1-CB 3.72Å; V271-Q297 HydrophobicContact CG1-CG 3.87Å; T272-Q297 WeakPolarHBondContact O-CA 3.5Å; V273-Q297 HydrophobicContact CG2-CG 4.36Å; Q295-Q297 PolarHBondContact O-N 3.24Å
298R80.1Confident81.9Confident22 Ų2254 Ų548%0.08330%0.299CS..EExtended strand (participates in β ladder)trans-123134.1175.9165.7178.4162.5-106.88.9108.8F178 N180 T272 I274 A300F178-R298 HydrophobicContact CB-CG 4.48Å; F178-R298 HydrophobicContact CD1-CB 4.14Å; F178-R298 HydrophobicContact CD1-CG 4.47Å; F178-R298 HydrophobicContact CD2-CB 4.35Å; F178-R298 HydrophobicContact CE1-CB 4.19Å; F178-R298 HydrophobicContact CE2-CB 4.4Å; F178-R298 HydrophobicContact CG-CB 4.21Å; F178-R298 HydrophobicContact CG-CG 4.33Å; F178-R298 HydrophobicContact CZ-CB 4.31Å; N180-R298 PolarHBondContact OD1-NE 3.29Å; N180-R298 PolarHBondContact OD1-NH2 2.9Å; T272-R298 PolarHBondContact N-O 3.04Å; T272-R298 PolarHBondContact O-N 3.11Å; T272-R298 PolarHBondContact OG1-O 2.84Å; I274-R298 HydrophobicContact CD1-CB 4.08Å; I274-R298 HydrophobicContact CG1-CB 3.78Å; R298-A300 PolarHBondContact O-N 3.43Å
299M71.1Confident81.5Confident128 Ų12849.1 Ų49.163%0.63128%0.28SS*.EExtended strand (participates in β ladder)trans-73.6119.5164.6-68.5-62.4-69.700108.5V271V271-M299 HydrophobicContact CB-SD 4.22Å; V271-M299 HydrophobicContact CG2-SD 3.34Å; V271-M299 WeakPolarHBondContact CG2-SD 3.4Å
300A64.9Low81.1Confident14 Ų1450 Ų5012%0.11628%0.284CS..PPolyproline II helixtrans-61.2143.1169.700000109.5I268 G270 T272 R298 G302I268-A300 HydrophobicContact CG2-CB 4.45Å; I268-A300 WeakPolarHBondContact O-CB 3.46Å; G270-A300 WeakPolarHBondContact O-CB 3.33Å; G270-A300 PolarHBondContact O-N 3.39Å; T272-A300 HydrophobicContact CG2-CB 4.24Å; R298-A300 PolarHBondContact O-N 3.43Å; A300-G302 PolarHBondContact O-N 3.47Å
301P63.9Low80.5Confident32 Ų3248.3 Ų48.321%0.20828%0.28CS..PPolyproline II helixtrans-56.8125.8176.8-2131.1000110.2N180 Y303N180-P301 HydrophobicContact CB-CG 4.37Å; P301-Y303 HydrophobicContact CB-CD1 4.4Å; P301-Y303 HydrophobicContact CB-CD2 4.36Å; P301-Y303 HydrophobicContact CB-CE1 3.85Å; P301-Y303 HydrophobicContact CB-CE2 3.82Å; P301-Y303 HydrophobicContact CG-CE2 4.25Å; P301-Y303 WeakPolarHBondContact O-CD2 3.35Å; P301-Y303 PolarHBondContact O-N 3.39Å; P301-Y303 VanDerWaalsContact O-N 3.09Å
302G60.2Low80Confident81 Ų8150.4 Ų50.484%0.83529%0.29SS*.  trans-80.385.6176.400000110.2A300 G304A300-G302 PolarHBondContact O-N 3.47Å; G302-G304 PolarHBondContact O-N 2.76Å
303Y63Low79.7Confident58 Ų5847 Ų4723%0.22728%0.275CS..  trans-69.68.1-179.8-58-72.2000114.8E182 P301 V306 R307E182-Y303 WeakPolarHBondContact OE1-CE1 3.36Å; P301-Y303 HydrophobicContact CB-CD1 4.4Å; P301-Y303 HydrophobicContact CB-CD2 4.36Å; P301-Y303 HydrophobicContact CB-CE1 3.85Å; P301-Y303 HydrophobicContact CB-CE2 3.82Å; P301-Y303 HydrophobicContact CG-CE2 4.25Å; P301-Y303 WeakPolarHBondContact O-CD2 3.35Å; P301-Y303 PolarHBondContact O-N 3.39Å; P301-Y303 VanDerWaalsContact O-N 3.09Å; Y303-V306 CarbonylContact O-C 3.57Å; Y303-R307 HydrophobicContact CD1-CG 3.86Å; Y303-R307 HydrophobicContact CD2-CG 4.27Å; Y303-R307 HydrophobicContact CE1-CG 4.34Å; Y303-R307 HydrophobicContact CG-CB 4.2Å; Y303-R307 HydrophobicContact CG-CG 3.81Å; Y303-R307 PolarHBondContact OH-NH2 3.01Å
304G72.4Confident79.5Confident45 Ų4547.5 Ų47.546%0.46428%0.278SS..THydrogen-bonded Turntrans62.7-142.4-177.400000112.7G302G302-G304 PolarHBondContact O-N 2.76Å
305D81.4Confident79.2Confident35 Ų3549.2 Ų49.219%0.18728%0.279CS..THydrogen-bonded Turntrans-89.4-20-179.1-55.8-36.4000112.8C332 S333 R335 M337 R396 Y398D305-C332 WeakPolarHBondContact O-CA 3.08Å; D305-C332 PolarHBondContact O-N 2.95Å; D305-S333 PolarHBondContact O-N 2.74Å; D305-R335 IonicContact OD2-NH1 3.98Å; D305-R335 IonicContact OD2-NH2 2.77Å; D305-M337 HydrophobicContact CB-CE 3.42Å; D305-M337 VanDerWaalsContact CB-CE 3.42Å; D305-M337 WeakPolarHBondContact O-CE 3.35Å; D305-R396 IonicContact OD2-CZ 2.67Å; D305-R396 IonicContact OD2-NH1 3.48Å; D305-R396 PolarHBondContact OD2-NH1 2.77Å; D305-Y398 HydrophobicContact CB-CE1 3.88Å; D305-Y398 VanDerWaalsContact CB-OH 3.29Å; D305-Y398 WeakPolarHBondContact CB-OH 3.24Å; D305-Y398 PolarHBondContact OD2-OH 3.34Å
306V83.6Confident79Confident2 Ų248.2 Ų48.21%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-133.5118.2-177.1-175.20000109Y303 I329 M337 L339 L389 Y398 Y400Y303-V306 CarbonylContact O-C 3.57Å; V306-I329 HydrophobicContact CG1-CG2 3.67Å; V306-M337 HydrophobicContact CG2-CE 3.7Å; V306-M337 HydrophobicContact CG2-SD 3.35Å; V306-M337 WeakPolarHBondContact CG2-SD 3.4Å; V306-L339 HydrophobicContact CG2-CD2 4.49Å; V306-L389 HydrophobicContact CG1-CD1 3.84Å; V306-Y398 HydrophobicContact CB-CD1 4.39Å; V306-Y398 HydrophobicContact CB-CD2 4.37Å; V306-Y398 HydrophobicContact CB-CG 4.27Å; V306-Y398 HydrophobicContact CG2-CD1 4.39Å; V306-Y398 HydrophobicContact CG2-CD2 3.84Å; V306-Y398 HydrophobicContact CG2-CE1 4.26Å; V306-Y398 HydrophobicContact CG2-CE2 3.72Å; V306-Y398 HydrophobicContact CG2-CG 4.2Å; V306-Y400 VanDerWaalsContact CB-OH 3.3Å; V306-Y400 WeakPolarHBondContact CB-OH 3.39Å; V306-Y400 VanDerWaalsContact CG1-OH 3.3Å; V306-Y400 WeakPolarHBondContact CG1-OH 3.22Å; V306-Y400 PolarHBondContact O-OH 3.33Å
307R83.4Confident79.1Confident13 Ų1347.8 Ų47.85%0.04928%0.279CS..EExtended strand (participates in β ladder)trans-96.7126.2174.3-178.7178.6-177.2-177.11.5109.5D190 Y303 I329 T330D190-R307 IonicContact OD1-CZ 3.76Å; D190-R307 IonicContact OD1-NH1 2.88Å; D190-R307 PolarHBondContact OD1-NH1 2.67Å; D190-R307 VanDerWaalsContact OD1-NH1 3.12Å; D190-R307 IonicContact OD1-NH2 2.82Å; D190-R307 PolarHBondContact OD1-NH2 3.11Å; D190-R307 IonicContact OD2-NH1 3.76Å; Y303-R307 HydrophobicContact CD1-CG 3.86Å; Y303-R307 HydrophobicContact CD2-CG 4.27Å; Y303-R307 HydrophobicContact CE1-CG 4.34Å; Y303-R307 HydrophobicContact CG-CB 4.2Å; Y303-R307 HydrophobicContact CG-CG 3.81Å; Y303-R307 PolarHBondContact OH-NH2 3.01Å; R307-I329 CarbonylContact O-C 3.6Å; R307-I329 WeakPolarHBondContact O-CA 3.38Å; R307-T330 PolarHBondContact N-O 2.9Å; R307-T330 PolarHBondContact O-N 2.82Å
308L83.9Confident79.4Confident18 Ų1844.9 Ų44.99%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-101.9129.8167.7-173.773.6000107.8C327 I329 L387 Y400 I403L308-C327 HydrophobicContact CD1-CB 3.83Å; L308-I329 HydrophobicContact CD1-CG1 3.71Å; L308-L387 HydrophobicContact CD2-CD1 4.03Å; L308-Y400 HydrophobicContact CB-CD1 3.68Å; L308-Y400 HydrophobicContact CB-CE1 3.53Å; L308-Y400 HydrophobicContact CB-CE2 4.42Å; L308-Y400 HydrophobicContact CB-CG 4.19Å; L308-Y400 HydrophobicContact CD2-CD1 3.87Å; L308-Y400 HydrophobicContact CD2-CD2 4.11Å; L308-Y400 HydrophobicContact CD2-CG 3.64Å; L308-Y400 HydrophobicContact CG-CD1 4.44Å; L308-I403 HydrophobicContact CD2-CD1 4.29Å; L308-I403 HydrophobicContact CD2-CG2 3.95Å
309S81.3Confident80Confident12 Ų1245.8 Ų45.88%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-134160172.960.40000110.2C327 K328S309-C327 CarbonylContact O-C 3.46Å; S309-C327 WeakPolarHBondContact O-CA 3.41Å; S309-K328 PolarHBondContact N-O 3.21Å; S309-K328 PolarHBondContact O-N 2.72Å; S309-K328 PolarHBondContact OG-O 2.81Å
310L82.4Confident80.9Confident20 Ų2046.5 Ų46.511%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-99.1129.3177.8-64.9168.7000110.8D184 I313 I403 A404D184-L310 WeakPolarHBondContact OD1-CD1 3.45Å; L310-I313 HydrophobicContact CD1-CD1 4.32Å; L310-I403 WeakPolarHBondContact CD1-O 3.35Å; L310-A404 HydrophobicContact CD1-CB 3.27Å
311E81.5Confident82.2Confident63 Ų6350.4 Ų50.429%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-93-36.6173.2-71.9-177.9153.100111.3S186 T326 K328 S369S186-E311 PolarHBondContact N-O 3.46Å; E311-T326 HydrophobicContact CB-CG2 4.07Å; E311-T326 PolarHBondContact N-O 2.87Å; E311-T326 WeakPolarHBondContact OE2-CG2 3.01Å; E311-K328 HydrophobicContact CG-CB 3.77Å; E311-K328 HydrophobicContact CG-CD 4.4Å; E311-K328 WeakPolarHBondContact OE1-CD 3.08Å; E311-S369 WeakPolarHBondContact OE2-CB 3.39Å; E311-S369 PolarHBondContact OE2-OG 2.99Å
312M83.4Confident83.6Confident72 Ų7252.6 Ų52.636%0.35531%0.305SS..EExtended strand (participates in β ladder)trans-147.1128.2-178.1-174.7-84.6-68.700110.2D324 I325 T326M312-D324 HydrophobicContact CE-CB 4.08Å; M312-D324 WeakPolarHBondContact CE-O 3.47Å; M312-I325 CarbonylContact O-C 3.56Å; M312-I325 WeakPolarHBondContact O-CA 3.22Å; M312-T326 PolarHBondContact N-O 3.49Å; M312-T326 PolarHBondContact O-N 3.44Å
313I86.1Confident85.2Confident7 Ų749.6 Ų49.64%0.03627%0.269CS..  trans-147.8137.5172.4-176.5170.1000108.5D184 L310 I325 I384 A404D184-I313 HydrophobicContact CB-CG2 3.9Å; L310-I313 HydrophobicContact CD1-CD1 4.32Å; I313-I325 HydrophobicContact CB-CG2 4.44Å; I313-I325 HydrophobicContact CG1-CG2 4.1Å; I313-I384 HydrophobicContact CD1-CD1 3.67Å; I313-A404 HydrophobicContact CD1-CB 3.24Å
314P87.4Confident86.6Confident37 Ų3750.6 Ų50.624%0.2428%0.279CS..  trans-76.3138.717228.8-34.3000111.8T316 V317 F323 V406P314-T316 VanDerWaalsContact C-N 3.33Å; P314-T316 PolarHBondContact O-N 2.8Å; P314-V317 HydrophobicContact CB-CG1 3.91Å; P314-V317 HydrophobicContact CG-CG1 3.41Å; P314-V317 VanDerWaalsContact CG-CG1 3.41Å; P314-F323 HydrophobicContact CG-CB 4.34Å; P314-F323 HydrophobicContact CG-CD2 3.72Å; P314-F323 HydrophobicContact CG-CE2 4.38Å; P314-F323 HydrophobicContact CG-CG 4.32Å; P314-V406 WeakPolarHBondContact O-CG2 3.38Å
315D84.3Confident87.5Confident133 Ų13348.5 Ų48.571%0.71126%0.256SS*.SBendtrans-68-33.2176.6-58.6-24000112.6C407D315-C407 WeakPolarHBondContact O-CB 3.41Å; D315-C407 PolarHBondContact O-N 2.78Å; D315-C407 VanDerWaalsContact O-N 3.13Å
316T88.6Confident88Confident83 Ų8348 Ų4851%0.50926%0.255SS..EExtended strand (participates in β ladder)trans-138.6134.5-176.6-59.10000110.8P314 C407 V409P314-T316 VanDerWaalsContact C-N 3.33Å; P314-T316 PolarHBondContact O-N 2.8Å; T316-C407 CarbonylContact C-O 3.56Å; T316-C407 VanDerWaalsContact CA-O 3.27Å; T316-C407 WeakPolarHBondContact CA-O 3.21Å; T316-V409 HydrophobicContact CG2-CB 4.43Å; T316-V409 HydrophobicContact CG2-CG1 3.87Å; T316-V409 HydrophobicContact CG2-CG2 3.66Å
317V91.9Very high88.3Confident10 Ų1047.9 Ų47.96%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-134.7155.7-179-59.10000111.1P314 F323 V406 C407 V408 V409P314-V317 HydrophobicContact CB-CG1 3.91Å; P314-V317 HydrophobicContact CG-CG1 3.41Å; P314-V317 VanDerWaalsContact CG-CG1 3.41Å; V317-F323 HydrophobicContact CB-CD1 3.85Å; V317-F323 HydrophobicContact CB-CE1 4.17Å; V317-F323 HydrophobicContact CB-CG 4.16Å; V317-F323 HydrophobicContact CG1-CB 3.88Å; V317-F323 HydrophobicContact CG1-CD1 3.75Å; V317-F323 HydrophobicContact CG1-CD2 3.82Å; V317-F323 HydrophobicContact CG1-CE1 4.15Å; V317-F323 HydrophobicContact CG1-CE2 4.19Å; V317-F323 HydrophobicContact CG1-CG 3.55Å; V317-F323 HydrophobicContact CG1-CZ 4.33Å; V317-F323 HydrophobicContact CG2-CD1 3.95Å; V317-F323 HydrophobicContact CG2-CE1 3.75Å; V317-F323 HydrophobicContact CG2-CZ 4.22Å; V317-V406 HydrophobicContact CB-CG2 4.14Å; V317-V406 HydrophobicContact CG1-CG2 3.57Å; V317-V406 HydrophobicContact CG2-CG1 4.32Å; V317-V406 HydrophobicContact CG2-CG2 3.6Å; V317-C407 PolarHBondContact N-O 3.38Å; V317-V408 HydrophobicContact CG2-CB 4.29Å; V317-V408 HydrophobicContact CG2-CG1 4.35Å; V317-V408 HydrophobicContact CG2-CG2 3.73Å; V317-V408 CarbonylContact O-C 3.55Å; V317-V408 WeakPolarHBondContact O-CA 3.38Å; V317-V409 WeakPolarHBondContact O-CG2 3.43Å; V317-V409 PolarHBondContact O-N 2.86Å
318N92.4Very high88.5Confident57 Ų5749.6 Ų49.631%0.30526%0.262SS..EExtended strand (participates in β ladder)trans-83.8146.3177.4-66.3-33.4000111.4E320 E321 V409N318-E320 PolarHBondContact O-N 3Å; N318-E321 HydrophobicContact CB-CB 3.97Å; N318-E321 HydrophobicContact CB-CG 3.88Å; N318-E321 VanDerWaalsContact CB-OE2 3.26Å; N318-E321 WeakPolarHBondContact CB-OE2 3.37Å; N318-E321 PolarHBondContact ND2-OE2 2.9Å; N318-E321 PolarHBondContact O-N 3.5Å; N318-V409 CarbonylContact C-O 3.6Å; N318-V409 WeakPolarHBondContact CA-O 3.18Å
319L92.1Very high88.7Confident42 Ų4248.8 Ų48.822%0.2226%0.258CS..THydrogen-bonded Turntrans-58.9133.7172.8-172.368.6000110.6E321 S377 V408 V409L319-E321 PolarHBondContact O-N 3.17Å; L319-S377 VanDerWaalsContact CD1-C 3.46Å; L319-V408 HydrophobicContact CB-CG1 4.23Å; L319-V408 HydrophobicContact CD1-CG1 3.98Å; L319-V409 PolarHBondContact N-O 3.33Å
320E91.1Very high88.9Confident142 Ų14249.3 Ų49.366%0.66426%0.261SS*.THydrogen-bonded Turntrans60.57.8179.3-67.4177.3179.900115.9N318 S376N318-E320 PolarHBondContact O-N 3Å; E320-S376 WeakPolarHBondContact CA-O 3.45Å; E320-S376 PolarHBondContact N-O 3.39Å
321E92.3Very high89.1Confident97 Ų9748.4 Ų48.445%0.45326%0.256SS..  trans-96.8131.5173.1-66.6-170.8172.300111.1N318 L319 F323N318-E321 HydrophobicContact CB-CB 3.97Å; N318-E321 HydrophobicContact CB-CG 3.88Å; N318-E321 VanDerWaalsContact CB-OE2 3.26Å; N318-E321 WeakPolarHBondContact CB-OE2 3.37Å; N318-E321 PolarHBondContact ND2-OE2 2.9Å; N318-E321 PolarHBondContact O-N 3.5Å; L319-E321 PolarHBondContact O-N 3.17Å; E321-F323 PolarHBondContact O-N 2.85Å
322P93.3Very high89Confident77 Ų7746.2 Ų46.250%0.525%0.247SC..EExtended strand (participates in β ladder)trans-67.1133.8175.2-20.432.3000112.1K373 L374P322-K373 HydrophobicContact CB-CD 3.78Å; P322-K373 HydrophobicContact CB-CG 3.89Å; P322-L374 CarbonylContact C-O 3.58Å; P322-L374 VanDerWaalsContact CA-O 3.31Å; P322-L374 WeakPolarHBondContact CA-O 3.47Å
323F93.6Very high88.9Confident18 Ų1843.2 Ų43.28%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-126.3154.7174.162.2-86.9000111.2P314 V317 E321 I325 K373 L374 I384 V406P314-F323 HydrophobicContact CG-CB 4.34Å; P314-F323 HydrophobicContact CG-CD2 3.72Å; P314-F323 HydrophobicContact CG-CE2 4.38Å; P314-F323 HydrophobicContact CG-CG 4.32Å; V317-F323 HydrophobicContact CB-CD1 3.85Å; V317-F323 HydrophobicContact CB-CE1 4.17Å; V317-F323 HydrophobicContact CB-CG 4.16Å; V317-F323 HydrophobicContact CG1-CB 3.88Å; V317-F323 HydrophobicContact CG1-CD1 3.75Å; V317-F323 HydrophobicContact CG1-CD2 3.82Å; V317-F323 HydrophobicContact CG1-CE1 4.15Å; V317-F323 HydrophobicContact CG1-CE2 4.19Å; V317-F323 HydrophobicContact CG1-CG 3.55Å; V317-F323 HydrophobicContact CG1-CZ 4.33Å; V317-F323 HydrophobicContact CG2-CD1 3.95Å; V317-F323 HydrophobicContact CG2-CE1 3.75Å; V317-F323 HydrophobicContact CG2-CZ 4.22Å; E321-F323 PolarHBondContact O-N 2.85Å; F323-I325 HydrophobicContact CD2-CG2 4.04Å; F323-I325 HydrophobicContact CE2-CG2 3.96Å; F323-K373 WeakPolarHBondContact O-CA 3.41Å; F323-L374 WeakPolarHBondContact CD1-O 3.1Å; F323-L374 HydrophobicContact CD2-CD2 4.32Å; F323-L374 HydrophobicContact CD2-CG 4.11Å; F323-L374 HydrophobicContact CE1-CD1 3.97Å; F323-L374 HydrophobicContact CE1-CG 4Å; F323-L374 HydrophobicContact CE2-CD1 3.5Å; F323-L374 VanDerWaalsContact CE2-CD1 3.5Å; F323-L374 HydrophobicContact CE2-CD2 3.89Å; F323-L374 HydrophobicContact CE2-CG 3.53Å; F323-L374 HydrophobicContact CZ-CD1 3.16Å; F323-L374 HydrophobicContact CZ-CD2 4.33Å; F323-L374 HydrophobicContact CZ-CG 3.49Å; F323-L374 VanDerWaalsContact CZ-CG 3.49Å; F323-L374 PolarHBondContact N-O 2.81Å; F323-L374 PolarHBondContact O-N 2.84Å; F323-I384 HydrophobicContact CE2-CD1 4.37Å; F323-V406 HydrophobicContact CZ-CG1 4.02Å
324D92.8Very high88.8Confident80 Ų8051.9 Ų51.943%0.42827%0.274SS..EExtended strand (participates in β ladder)trans-98.4139.4-176.8-64.9-63.9000110.2M312 L372 K373M312-D324 HydrophobicContact CE-CB 4.08Å; M312-D324 WeakPolarHBondContact CE-O 3.47Å; D324-L372 WeakPolarHBondContact CA-O 3.16Å; D324-K373 WeakPolarHBondContact OD1-CE 3.46Å; D324-K373 IonicContact OD1-NZ 3.39Å; D324-K373 PolarHBondContact OD1-NZ 3Å; D324-K373 WeakPolarHBondContact OD2-CE 3.39Å; D324-K373 IonicContact OD2-NZ 3.49Å; D324-K373 PolarHBondContact OD2-NZ 2.79Å; D324-K373 VanDerWaalsContact OD2-NZ 3.15Å
325I91.6Very high88.8Confident0 Ų053.8 Ų53.80%028%0.276CS..EExtended strand (participates in β ladder)trans-127.7151.1167.867.7170.8000108.8M312 I313 F323 W351 L372 L374 I384M312-I325 CarbonylContact O-C 3.56Å; M312-I325 WeakPolarHBondContact O-CA 3.22Å; I313-I325 HydrophobicContact CB-CG2 4.44Å; I313-I325 HydrophobicContact CG1-CG2 4.1Å; F323-I325 HydrophobicContact CD2-CG2 4.04Å; F323-I325 HydrophobicContact CE2-CG2 3.96Å; I325-W351 HydrophobicContact CD1-CH2 3.9Å; I325-W351 HydrophobicContact CD1-CZ3 3.9Å; I325-L372 HydrophobicContact CD1-CB 4.47Å; I325-L372 HydrophobicContact CG1-CB 3.91Å; I325-L372 PolarHBondContact N-O 2.67Å; I325-L372 PolarHBondContact O-N 2.97Å; I325-L374 HydrophobicContact CB-CD2 4.22Å; I325-L374 HydrophobicContact CD1-CD2 3.52Å; I325-L374 HydrophobicContact CG1-CD2 3.52Å; I325-L374 HydrophobicContact CG2-CD2 3.76Å; I325-I384 HydrophobicContact CD1-CG2 4.47Å; I325-I384 HydrophobicContact CG2-CD1 4.43Å
326T91.2Very high89Confident25 Ų2550.4 Ų50.415%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-119115.3173.6-55.60000109E311 M312 S369E311-T326 HydrophobicContact CB-CG2 4.07Å; E311-T326 PolarHBondContact N-O 2.87Å; E311-T326 WeakPolarHBondContact OE2-CG2 3.01Å; M312-T326 PolarHBondContact N-O 3.49Å; M312-T326 PolarHBondContact O-N 3.44Å; T326-S369 WeakPolarHBondContact CG2-OG 3.43Å
327C89.6Confident89.1Confident0 Ų046.5 Ų46.50%024%0.236CC..EExtended strand (participates in β ladder)trans-96.5145.5173.7-55.70000110.1L308 S309 S369 L370L308-C327 HydrophobicContact CD1-CB 3.83Å; S309-C327 CarbonylContact O-C 3.46Å; S309-C327 WeakPolarHBondContact O-CA 3.41Å; C327-S369 CarbonylContact O-C 3.53Å; C327-L370 HydrophobicContact CB-CB 4.49Å; C327-L370 PolarHBondContact N-O 3.22Å; C327-L370 WeakPolarHBondContact O-CA 3.38Å; C327-L370 PolarHBondContact O-N 3.39Å
328K87.6Confident89.1Confident49 Ų4946.8 Ų46.821%0.21324%0.238CC..EExtended strand (participates in β ladder)trans-112122.2169.8179.1-174.8-166.8165.40109.3S309 E311 S367 L368S309-K328 PolarHBondContact N-O 3.21Å; S309-K328 PolarHBondContact O-N 2.72Å; S309-K328 PolarHBondContact OG-O 2.81Å; E311-K328 HydrophobicContact CG-CB 3.77Å; E311-K328 HydrophobicContact CG-CD 4.4Å; E311-K328 WeakPolarHBondContact OE1-CD 3.08Å; K328-S367 WeakPolarHBondContact CE-OG 3.37Å; K328-L368 WeakPolarHBondContact CA-O 3.34Å
329I88.8Confident89.1Confident0 Ų044.1 Ų44.10%022%0.223CC..EExtended strand (participates in β ladder)trans-100.4124.3176-59.9166.7000107.3V306 R307 L308 L339 L359 S367 L368 L370 L389V306-I329 HydrophobicContact CG1-CG2 3.67Å; R307-I329 CarbonylContact O-C 3.6Å; R307-I329 WeakPolarHBondContact O-CA 3.38Å; L308-I329 HydrophobicContact CD1-CG1 3.71Å; I329-L339 HydrophobicContact CG2-CD1 3.73Å; I329-L359 HydrophobicContact CD1-CD1 3.52Å; I329-S367 CarbonylContact O-C 3.44Å; I329-S367 WeakPolarHBondContact O-CA 3.48Å; I329-L368 PolarHBondContact N-O 2.98Å; I329-L368 PolarHBondContact O-N 3Å; I329-L370 HydrophobicContact CD1-CB 4.39Å; I329-L370 HydrophobicContact CD1-CD2 3.74Å; I329-L389 HydrophobicContact CD1-CD1 3.73Å; I329-L389 HydrophobicContact CD1-CD2 3.81Å; I329-L389 HydrophobicContact CD1-CG 4.45Å; I329-L389 HydrophobicContact CG1-CD1 3.88Å; I329-L389 HydrophobicContact CG2-CD1 3.86Å
330T85.7Confident89.2Confident24 Ų2443.4 Ų43.415%0.14722%0.22CC..EExtended strand (participates in β ladder)trans-118.6127177.8-56.90000109.8R307 C332 S367R307-T330 PolarHBondContact N-O 2.9Å; R307-T330 PolarHBondContact O-N 2.82Å; T330-C332 PolarHBondContact O-N 3.09Å; T330-S367 PolarHBondContact OG1-OG 2.88Å
331N85.9Confident89.4Confident1 Ų136.8 Ų36.81%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-78.9110.3174.7179.2-1.4000109.7S333 R335 M337 V362 S363 S365 A366N331-S333 WeakPolarHBondContact OD1-CB 3.35Å; N331-S333 PolarHBondContact OD1-N 3.22Å; N331-S333 PolarHBondContact OD1-OG 2.88Å; N331-R335 PolarHBondContact ND2-O 3.27Å; N331-M337 WeakPolarHBondContact OD1-CE 3.42Å; N331-V362 HydrophobicContact CB-CB 4.3Å; N331-V362 HydrophobicContact CB-CG1 3.68Å; N331-V362 PolarHBondContact ND2-O 2.89Å; N331-S363 WeakPolarHBondContact CB-O 3.22Å; N331-S363 PolarHBondContact ND2-O 3.25Å; N331-S365 VanDerWaalsContact O-CA 3.24Å; N331-S365 WeakPolarHBondContact O-CA 3.34Å; N331-S365 PolarHBondContact O-N 3.38Å; N331-A366 PolarHBondContact N-O 2.81Å
332C79.1Confident89.4Confident17 Ų1735.7 Ų35.712%0.11518%0.184CC..  trans-988.7-179.3-62.80000113.2K269 D305 T330K269-C332 PolarHBondContact NZ-O 2.93Å; K269-C332 VanDerWaalsContact NZ-O 3.08Å; D305-C332 WeakPolarHBondContact O-CA 3.08Å; D305-C332 PolarHBondContact O-N 2.95Å; T330-C332 PolarHBondContact O-N 3.09Å
333S82.5Confident89.4Confident9 Ų933 Ų336%0.06317%0.165CC..SBendtrans-94.3164.8175.8810000112.3D305 N331 R335 M337 P364D305-S333 PolarHBondContact O-N 2.74Å; N331-S333 WeakPolarHBondContact OD1-CB 3.35Å; N331-S333 PolarHBondContact OD1-N 3.22Å; N331-S333 PolarHBondContact OD1-OG 2.88Å; S333-R335 PolarHBondContact O-N 2.83Å; S333-R335 VanDerWaalsContact OG-CG 3.32Å; S333-R335 WeakPolarHBondContact OG-CG 3.47Å; S333-R335 PolarHBondContact OG-N 2.72Å; S333-R335 PolarHBondContact OG-O 2.88Å; S333-M337 VanDerWaalsContact CB-CE 3.49Å; S333-M337 WeakPolarHBondContact OG-CE 3.4Å; S333-P364 WeakPolarHBondContact O-CB 3.43Å
334E83.3Confident89.3Confident189 Ų18934.1 Ų34.188%0.88318%0.175SC*.SBendtrans-81.2-0.7176.4-60.6-177.3173.400113.1P364E334-P364 WeakPolarHBondContact O-CG 3.28Å
335R87.4Confident89.3Confident77 Ų7734.9 Ų34.929%0.29118%0.179SC..SBendtrans-116.8153.7-176.764.8176.6-169.5-76.4-9.9111.4D305 N331 S333 D391 Y398D305-R335 IonicContact OD2-NH1 3.98Å; D305-R335 IonicContact OD2-NH2 2.77Å; N331-R335 PolarHBondContact ND2-O 3.27Å; S333-R335 PolarHBondContact O-N 2.83Å; S333-R335 VanDerWaalsContact OG-CG 3.32Å; S333-R335 WeakPolarHBondContact OG-CG 3.47Å; S333-R335 PolarHBondContact OG-N 2.72Å; S333-R335 PolarHBondContact OG-O 2.88Å; R335-D391 IonicContact CZ-OD2 3.43Å; R335-D391 IonicContact NE-OD2 3.47Å; R335-D391 PolarHBondContact NE-OD2 2.92Å; R335-D391 IonicContact NH2-OD2 3.12Å; R335-D391 PolarHBondContact NH2-OD2 2.77Å; R335-Y398 PolarHBondContact NH2-OH 2.91Å
336T89.1Confident89.2Confident62 Ų6237 Ų3738%0.3819%0.192SC..  trans-68.8131.5166.9-57.70000109.1K361 V362T336-K361 HydrophobicContact CG2-CB 3.95Å; T336-K361 HydrophobicContact CG2-CG 4.48Å; T336-V362 WeakPolarHBondContact CA-O 3.4Å
337M90.2Very high89.1Confident0 Ų047.1 Ų47.10%023%0.228CC..EExtended strand (participates in β ladder)trans-104.8152.1174.6-64.2-175.1178.900110.3D305 V306 N331 S333 L339 K361 V362D305-M337 HydrophobicContact CB-CE 3.42Å; D305-M337 VanDerWaalsContact CB-CE 3.42Å; D305-M337 WeakPolarHBondContact O-CE 3.35Å; V306-M337 HydrophobicContact CG2-CE 3.7Å; V306-M337 HydrophobicContact CG2-SD 3.35Å; V306-M337 WeakPolarHBondContact CG2-SD 3.4Å; N331-M337 WeakPolarHBondContact OD1-CE 3.42Å; S333-M337 VanDerWaalsContact CB-CE 3.49Å; S333-M337 WeakPolarHBondContact OG-CE 3.4Å; M337-L339 HydrophobicContact CB-CD2 4.07Å; M337-L339 HydrophobicContact CB-CG 4.18Å; M337-L339 HydrophobicContact SD-CD2 4.1Å; M337-K361 CarbonylContact O-C 3.46Å; M337-K361 WeakPolarHBondContact O-CA 3.31Å; M337-V362 PolarHBondContact N-O 3.12Å; M337-V362 PolarHBondContact O-N 3.41Å
338D91.8Very high89.1Confident17 Ų1747.9 Ų47.99%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-119.9110.2167.9178.534.2000107.4Q358 G360 K361 T392 F393D338-Q358 PolarHBondContact OD1-NE2 2.77Å; D338-Q358 PolarHBondContact OD2-NE2 3.08Å; D338-G360 VanDerWaalsContact OD1-C 3.27Å; D338-G360 WeakPolarHBondContact OD1-CA 3.49Å; D338-K361 HydrophobicContact CB-CG 4.16Å; D338-T392 WeakPolarHBondContact CB-OG1 3.35Å; D338-T392 PolarHBondContact O-N 2.9Å; D338-T392 PolarHBondContact O-OG1 2.85Å; D338-T392 PolarHBondContact OD2-OG1 3.38Å; D338-T392 VanDerWaalsContact OD2-OG1 3.07Å; D338-F393 HydrophobicContact CB-CD2 3.99Å; D338-F393 HydrophobicContact CB-CE2 3.5Å; D338-F393 VanDerWaalsContact CB-CE2 3.5Å; D338-F393 HydrophobicContact CB-CZ 4.17Å
339L92.9Very high89.3Confident1 Ų145.6 Ų45.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-102.6138.3-165.6-63176.9000111.3V306 I329 M337 L359 G360 V362 T390 D391V306-L339 HydrophobicContact CG2-CD2 4.49Å; I329-L339 HydrophobicContact CG2-CD1 3.73Å; M337-L339 HydrophobicContact CB-CD2 4.07Å; M337-L339 HydrophobicContact CB-CG 4.18Å; M337-L339 HydrophobicContact SD-CD2 4.1Å; L339-L359 HydrophobicContact CB-CB 4.28Å; L339-L359 HydrophobicContact CB-CD1 4.29Å; L339-L359 WeakPolarHBondContact O-CB 3.47Å; L339-L359 PolarHBondContact O-N 3.24Å; L339-G360 PolarHBondContact N-O 2.84Å; L339-V362 HydrophobicContact CD1-CG2 4.21Å; L339-T390 WeakPolarHBondContact CA-O 3.47Å; L339-D391 HydrophobicContact CD2-CB 4.28Å
340V94.1Very high89.6Confident26 Ų2648 Ų4816%0.15823%0.234CC..EExtended strand (participates in β ladder)trans-113.6128.9169.1176.90000108.7Q358 L389 T390 T392V340-Q358 HydrophobicContact CG2-CG 4.4Å; V340-L389 WeakPolarHBondContact O-CA 3.17Å; V340-T390 PolarHBondContact N-O 2.73Å; V340-T390 PolarHBondContact O-N 3.5Å; V340-T392 HydrophobicContact CG2-CG2 3.55Å
341L93.8Very high89.9Confident3 Ų347.8 Ų47.82%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-89.2121.9177.117870.3000110.4M343 G356 R357 L359 L370 L372 L387 L389L341-M343 HydrophobicContact CD1-CG 4.48Å; L341-M343 HydrophobicContact CD2-CG 4.19Å; L341-M343 HydrophobicContact CD2-SD 4.19Å; L341-M343 HydrophobicContact CG-CG 4.15Å; L341-G356 CarbonylContact O-C 3.53Å; L341-G356 VanDerWaalsContact O-CA 3.24Å; L341-G356 WeakPolarHBondContact O-CA 3.45Å; L341-G356 PolarHBondContact O-N 2.88Å; L341-R357 PolarHBondContact N-O 3Å; L341-R357 PolarHBondContact O-N 2.83Å; L341-R357 VanDerWaalsContact O-N 3.12Å; L341-L359 HydrophobicContact CB-CD1 4.03Å; L341-L359 HydrophobicContact CB-CD2 4.02Å; L341-L359 HydrophobicContact CB-CG 3.97Å; L341-L359 HydrophobicContact CD2-CD2 4.49Å; L341-L370 HydrophobicContact CD1-CD2 4Å; L341-L370 HydrophobicContact CD2-CD1 4.26Å; L341-L370 HydrophobicContact CD2-CD2 3.85Å; L341-L370 HydrophobicContact CG-CD2 4.49Å; L341-L372 HydrophobicContact CD2-CD2 3.87Å; L341-L387 HydrophobicContact CD1-CD2 4.2Å; L341-L389 HydrophobicContact CB-CD2 4.41Å; L341-L389 HydrophobicContact CD1-CD2 3.7Å
342E93.4Very high90.1Very high74 Ų7450 Ų5035%0.34625%0.246SC..EExtended strand (participates in β ladder)trans-113.5128.7167.8-73.9175.3-164.800109.4S355 R388E342-S355 WeakPolarHBondContact CA-OG 3.49Å; E342-R388 HydrophobicContact CB-CB 4Å; E342-R388 PolarHBondContact N-O 3.2Å; E342-R388 PolarHBondContact O-N 3.07Å
343M92.9Very high90.4Very high20 Ų2051.9 Ų51.910%0.09927%0.268CS..EExtended strand (participates in β ladder)trans-110.6124.6177.5-65.3177.9-66.100108.9L341 W351 V354 S355 L372 L387L341-M343 HydrophobicContact CD1-CG 4.48Å; L341-M343 HydrophobicContact CD2-CG 4.19Å; L341-M343 HydrophobicContact CD2-SD 4.19Å; L341-M343 HydrophobicContact CG-CG 4.15Å; M343-W351 HydrophobicContact CB-CB 3.78Å; M343-W351 HydrophobicContact CB-CD2 4.27Å; M343-W351 HydrophobicContact CB-CG 3.72Å; M343-W351 HydrophobicContact CG-CB 4.29Å; M343-W351 HydrophobicContact CG-CD2 4.24Å; M343-W351 HydrophobicContact CG-CE3 4.48Å; M343-W351 HydrophobicContact CG-CG 4.15Å; M343-W351 HydrophobicContact SD-CB 3.93Å; M343-W351 HydrophobicContact SD-CD2 4.24Å; M343-W351 HydrophobicContact SD-CE3 4.04Å; M343-W351 HydrophobicContact SD-CG 4.23Å; M343-V354 WeakPolarHBondContact CE-O 3.3Å; M343-S355 PolarHBondContact N-OG 2.9Å; M343-S355 PolarHBondContact O-OG 2.96Å; M343-L372 HydrophobicContact SD-CD2 4.11Å; M343-L387 HydrophobicContact CG-CD2 3.9Å
344C92.2Very high90.6Very high42 Ų4256.9 Ų56.928%0.28430%0.298SS..  trans-115.7123.3178.8-63.20000109.2W351 G386C344-W351 VanDerWaalsContact O-CD1 3.25Å; C344-W351 PolarHBondContact O-NE1 3.27Å; C344-G386 PolarHBondContact N-O 3.15Å
345N92.2Very high90.9Very high97 Ų9750.8 Ų50.852%0.51928%0.276SS..  trans-69.2146.7176.6-66.2-10.8000110.7W351N345-W351 PolarHBondContact OD1-N 2.85Å
346T90.1Very high90.9Very high44 Ų4449.3 Ų49.327%0.2729%0.285SS..  trans-105.3-172.8170.567.10000110.1S348 I349T346-S348 VanDerWaalsContact C-N 3.33Å; T346-I349 PolarHBondContact N-O 2.73Å; T346-I349 WeakPolarHBondContact OG1-CB 3.43Å; T346-I349 PolarHBondContact OG1-N 2.88Å; T346-I349 PolarHBondContact OG1-O 2.94Å
347R87.9Confident91Very high238 Ų23853.2 Ų53.290%0.89829%0.293SS*.SBendtrans-68.9-33.1177.9-67-176.8-178176.71.2112.4S377R347-S377 PolarHBondContact O-OG 2.8Å
348S89.6Confident91.1Very high16 Ų1658.9 Ų58.911%0.11232%0.319CS..SBendtrans-105.5-38.7-176.7500000112.9T346 S376 S377 Q382T346-S348 VanDerWaalsContact C-N 3.33Å; S348-S376 CarbonylContact O-C 3.52Å; S348-S376 WeakPolarHBondContact O-CA 3.46Å; S348-S377 PolarHBondContact O-N 3.47Å; S348-S377 PolarHBondContact O-OG 2.79Å; S348-Q382 PolarHBondContact OG-OE1 3.29Å
349I92.8Very high90.9Very high0 Ų059.4 Ų59.40%032%0.322CS..EExtended strand (participates in β ladder)trans-104128.9-175.9-60-59.5000111.2T346 L374 Q382 S383T346-I349 PolarHBondContact N-O 2.73Å; T346-I349 WeakPolarHBondContact OG1-CB 3.43Å; T346-I349 PolarHBondContact OG1-N 2.88Å; T346-I349 PolarHBondContact OG1-O 2.94Å; I349-L374 HydrophobicContact CD1-CD1 4.23Å; I349-L374 HydrophobicContact CG2-CB 4.2Å; I349-L374 HydrophobicContact CG2-CD1 3.42Å; I349-L374 VanDerWaalsContact CG2-CD1 3.42Å; I349-L374 HydrophobicContact CG2-CG 4.46Å; I349-Q382 HydrophobicContact CD1-CB 4.09Å; I349-S383 WeakPolarHBondContact CG1-O 3.29Å
350H93.8Very high90.7Very high52 Ų5260.5 Ų60.524%0.24133%0.333CS..EExtended strand (participates in β ladder)trans-119.3129.5174.7-48.8-83000110.8L374 L375 S377H350-L374 CarbonylContact O-C 3.48Å; H350-L374 VanDerWaalsContact O-CA 3.22Å; H350-L374 WeakPolarHBondContact O-CA 3.46Å; H350-L374 WeakPolarHBondContact O-CB 3.36Å; H350-L375 HydrophobicContact CB-CD2 4.13Å; H350-L375 HydrophobicContact CB-CG 3.98Å; H350-L375 PolarHBondContact N-O 3.46Å; H350-L375 PolarHBondContact O-N 2.92Å; H350-S377 PolarHBondContact NE2-OG 3.03Å
351W93.2Very high90.5Very high19 Ų1966.7 Ų66.77%0.07236%0.358CS..EExtended strand (participates in β ladder)trans-80.8128.6179.5-65.496.3000110.9I325 M343 C344 N345 L372 L374 I384 S385 L387 I403I325-W351 HydrophobicContact CD1-CH2 3.9Å; I325-W351 HydrophobicContact CD1-CZ3 3.9Å; M343-W351 HydrophobicContact CB-CB 3.78Å; M343-W351 HydrophobicContact CB-CD2 4.27Å; M343-W351 HydrophobicContact CB-CG 3.72Å; M343-W351 HydrophobicContact CG-CB 4.29Å; M343-W351 HydrophobicContact CG-CD2 4.24Å; M343-W351 HydrophobicContact CG-CE3 4.48Å; M343-W351 HydrophobicContact CG-CG 4.15Å; M343-W351 HydrophobicContact SD-CB 3.93Å; M343-W351 HydrophobicContact SD-CD2 4.24Å; M343-W351 HydrophobicContact SD-CE3 4.04Å; M343-W351 HydrophobicContact SD-CG 4.23Å; C344-W351 VanDerWaalsContact O-CD1 3.25Å; C344-W351 PolarHBondContact O-NE1 3.27Å; N345-W351 PolarHBondContact OD1-N 2.85Å; W351-L372 HydrophobicContact CE3-CB 4.34Å; W351-L372 HydrophobicContact CE3-CD1 4.29Å; W351-L372 HydrophobicContact CH2-CD1 4.19Å; W351-L372 HydrophobicContact CZ3-CB 3.89Å; W351-L372 HydrophobicContact CZ3-CD1 3.57Å; W351-L372 HydrophobicContact CZ3-CG 4.32Å; W351-L374 HydrophobicContact CE3-CB 4.24Å; W351-L374 HydrophobicContact CE3-CD2 4.43Å; W351-L374 HydrophobicContact CH2-CD2 4.48Å; W351-L374 HydrophobicContact CZ3-CD2 3.94Å; W351-I384 HydrophobicContact CH2-CG2 3.72Å; W351-I384 HydrophobicContact CZ2-CG2 3.77Å; W351-S385 PolarHBondContact NE1-O 2.84Å; W351-S385 VanDerWaalsContact NE1-O 3.11Å; W351-L387 HydrophobicContact CD2-CD2 4.12Å; W351-L387 HydrophobicContact CE3-CD2 4.14Å; W351-L387 HydrophobicContact CH2-CD1 3.73Å; W351-L387 HydrophobicContact CH2-CD2 3.5Å; W351-L387 VanDerWaalsContact CH2-CD2 3.5Å; W351-L387 HydrophobicContact CH2-CG 3.55Å; W351-L387 HydrophobicContact CZ2-CD1 4.15Å; W351-L387 HydrophobicContact CZ2-CD2 3.45Å; W351-L387 VanDerWaalsContact CZ2-CD2 3.45Å; W351-L387 HydrophobicContact CZ2-CG 3.45Å; W351-L387 VanDerWaalsContact CZ2-CG 3.45Å; W351-L387 HydrophobicContact CZ3-CD1 4.45Å; W351-L387 HydrophobicContact CZ3-CD2 3.85Å; W351-L387 HydrophobicContact CZ3-CG 4.36Å; W351-I403 HydrophobicContact CH2-CD1 4.48Å
352C89.8Confident90.3Very high47 Ų4767 Ų6732%0.31836%0.36SS..EExtended strand (participates in β ladder)trans-98.291.8177.2-60.10000108.9K373C352-K373 WeakPolarHBondContact CA-O 3.39Å; C352-K373 HydrophobicContact CB-CB 3.95Å; C352-K373 HydrophobicContact CB-CD 4.46Å; C352-K373 HydrophobicContact CB-CG 3.73Å; C352-K373 WeakPolarHBondContact CB-O 3.3Å; C352-K373 PolarHBondContact N-O 2.98Å
353G86.1Confident90.1Very high57 Ų5766.2 Ų66.259%0.58836%0.363SS*.SBendtrans167.9-173177.600000113.9
354V86.2Confident89.8Confident113 Ų11367.8 Ų67.869%0.68537%0.374SS*.  trans-90.7112.7178.6-177.90000109.6M343M343-V354 WeakPolarHBondContact CE-O 3.3Å
355S89.4Confident89.2Confident61 Ų6169.9 Ų69.943%0.42739%0.389SS..THydrogen-bonded Turntrans-75.3150.5168.8-169.20000110.6E342 M343E342-S355 WeakPolarHBondContact CA-OG 3.49Å; M343-S355 PolarHBondContact N-OG 2.9Å; M343-S355 PolarHBondContact O-OG 2.96Å
356G88.3Confident88.8Confident46 Ų4666.6 Ų66.647%0.47438%0.376SS..THydrogen-bonded Turntrans80.319.1-174.300000114L341L341-G356 CarbonylContact O-C 3.53Å; L341-G356 VanDerWaalsContact O-CA 3.24Å; L341-G356 WeakPolarHBondContact O-CA 3.45Å; L341-G356 PolarHBondContact O-N 2.88Å
357R90.9Very high88.6Confident144 Ų14467.4 Ų67.454%0.54338%0.383SS..EExtended strand (participates in β ladder)trans-75.2128.7-178.9-179.9-179.3177.1-174.6-0.1110.5L341 L359L341-R357 PolarHBondContact N-O 3Å; L341-R357 PolarHBondContact O-N 2.83Å; L341-R357 VanDerWaalsContact O-N 3.12Å; R357-L359 PolarHBondContact O-N 2.85Å
358Q91.2Very high88.7Confident119 Ų11958.6 Ų58.656%0.55635%0.353SS*.EExtended strand (participates in β ladder)trans-73.2121.2170.9-164.8164.96.700110.1D338 V340D338-Q358 PolarHBondContact OD1-NE2 2.77Å; D338-Q358 PolarHBondContact OD2-NE2 3.08Å; V340-Q358 HydrophobicContact CG2-CG 4.4Å
359L89.1Confident88.7Confident29 Ų2960.7 Ų60.715%0.15237%0.368CS..EExtended strand (participates in β ladder)trans-85.6-18.4178.1-61.3-176.7000112.1I329 L339 L341 R357 L368 L370 L389I329-L359 HydrophobicContact CD1-CD1 3.52Å; L339-L359 HydrophobicContact CB-CB 4.28Å; L339-L359 HydrophobicContact CB-CD1 4.29Å; L339-L359 WeakPolarHBondContact O-CB 3.47Å; L339-L359 PolarHBondContact O-N 3.24Å; L341-L359 HydrophobicContact CB-CD1 4.03Å; L341-L359 HydrophobicContact CB-CD2 4.02Å; L341-L359 HydrophobicContact CB-CG 3.97Å; L341-L359 HydrophobicContact CD2-CD2 4.49Å; R357-L359 PolarHBondContact O-N 2.85Å; L359-L368 HydrophobicContact CB-CD2 3.79Å; L359-L368 HydrophobicContact CD1-CD2 4.25Å; L359-L368 HydrophobicContact CG-CD2 4.42Å; L359-L370 HydrophobicContact CD1-CD2 4.35Å; L359-L370 HydrophobicContact CD2-CD1 3.75Å; L359-L389 HydrophobicContact CD1-CD2 3.84Å
360G87.4Confident88.6Confident23 Ų2360.9 Ų60.924%0.23737%0.369CS..EExtended strand (participates in β ladder)trans90.6-169.4178.600000113.2D338 L339D338-G360 VanDerWaalsContact OD1-C 3.27Å; D338-G360 WeakPolarHBondContact OD1-CA 3.49Å; L339-G360 PolarHBondContact N-O 2.84Å
361K90.6Very high88.6Confident157 Ų15762.7 Ų62.768%0.68339%0.386SS*.EExtended strand (participates in β ladder)trans-82.2123.6-174.1-65.8-177.2-176.3-179.70111.7T336 M337 D338T336-K361 HydrophobicContact CG2-CB 3.95Å; T336-K361 HydrophobicContact CG2-CG 4.48Å; M337-K361 CarbonylContact O-C 3.46Å; M337-K361 WeakPolarHBondContact O-CA 3.31Å; D338-K361 HydrophobicContact CB-CG 4.16Å
362V90.1Very high88.6Confident9 Ų962.5 Ų62.56%0.05539%0.386CS..EExtended strand (participates in β ladder)trans-110.3113.5173.9-171.50000108.5N331 T336 M337 L339 A366 L368N331-V362 HydrophobicContact CB-CB 4.3Å; N331-V362 HydrophobicContact CB-CG1 3.68Å; N331-V362 PolarHBondContact ND2-O 2.89Å; T336-V362 WeakPolarHBondContact CA-O 3.4Å; M337-V362 PolarHBondContact N-O 3.12Å; M337-V362 PolarHBondContact O-N 3.41Å; L339-V362 HydrophobicContact CD1-CG2 4.21Å; V362-A366 HydrophobicContact CG1-CB 4.12Å; V362-A366 WeakPolarHBondContact CG1-O 3.43Å; V362-L368 HydrophobicContact CG2-CB 4.42Å
363S89.4Confident88.8Confident58 Ų5864 Ų6441%0.40639%0.387SS..  trans-66.5161.317852.70000112N331 S365 A366N331-S363 WeakPolarHBondContact CB-O 3.22Å; N331-S363 PolarHBondContact ND2-O 3.25Å; S363-S365 PolarHBondContact O-N 2.91Å; S363-A366 WeakPolarHBondContact O-CB 3.42Å; S363-A366 PolarHBondContact O-N 2.66Å; S363-A366 WeakPolarHBondContact OG-CB 3.46Å
364P85.3Confident89.2Confident52 Ų5261.3 Ų61.334%0.33836%0.359SS..THydrogen-bonded Turntrans-50.1135.1173.9-27.635.5000111.8S333 E334 A366S333-P364 WeakPolarHBondContact O-CB 3.43Å; E334-P364 WeakPolarHBondContact O-CG 3.28Å; P364-A366 PolarHBondContact O-N 2.79Å
365S79.3Confident89.6Confident86 Ų8658.2 Ų58.260%0.60134%0.338SS*.THydrogen-bonded Turntrans60.74.4-178.8-51.90000116.1N331 S363N331-S365 VanDerWaalsContact O-CA 3.24Å; N331-S365 WeakPolarHBondContact O-CA 3.34Å; N331-S365 PolarHBondContact O-N 3.38Å; S363-S365 PolarHBondContact O-N 2.91Å
366A83.9Confident89.7Confident29 Ų2955.3 Ų55.324%0.2432%0.318CS..  trans-83.6155.3173.500000111.3N331 V362 S363 P364N331-A366 PolarHBondContact N-O 2.81Å; V362-A366 HydrophobicContact CG1-CB 4.12Å; V362-A366 WeakPolarHBondContact CG1-O 3.43Å; S363-A366 WeakPolarHBondContact O-CB 3.42Å; S363-A366 PolarHBondContact O-N 2.66Å; S363-A366 WeakPolarHBondContact OG-CB 3.46Å; P364-A366 PolarHBondContact O-N 2.79Å
367S86.2Confident89.9Confident60 Ų6055 Ų5542%0.4231%0.308SS..EExtended strand (participates in β ladder)trans-120.5148177.5-540000111.6K328 I329 T330K328-S367 WeakPolarHBondContact CE-OG 3.37Å; I329-S367 CarbonylContact O-C 3.44Å; I329-S367 WeakPolarHBondContact O-CA 3.48Å; T330-S367 PolarHBondContact OG1-OG 2.88Å
368L89.9Confident90Very high53 Ų5351.1 Ų51.128%0.27730%0.301SS..EExtended strand (participates in β ladder)trans-121.5126.5174.317769.1000108.9K328 I329 L359 V362K328-L368 WeakPolarHBondContact CA-O 3.34Å; I329-L368 PolarHBondContact N-O 2.98Å; I329-L368 PolarHBondContact O-N 3Å; L359-L368 HydrophobicContact CB-CD2 3.79Å; L359-L368 HydrophobicContact CD1-CD2 4.25Å; L359-L368 HydrophobicContact CG-CD2 4.42Å; V362-L368 HydrophobicContact CG2-CB 4.42Å
369S90.6Very high90Very high60 Ų6051.7 Ų51.742%0.4230%0.304SS..EExtended strand (participates in β ladder)trans-86.7130.5170.9-1730000109.6E311 T326 C327E311-S369 WeakPolarHBondContact OE2-CB 3.39Å; E311-S369 PolarHBondContact OE2-OG 2.99Å; T326-S369 WeakPolarHBondContact CG2-OG 3.43Å; C327-S369 CarbonylContact O-C 3.53Å
370L90.8Very high90.2Very high5 Ų551.9 Ų51.93%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-127.396.1-171178.963.5000108.9C327 I329 L341 L359 L372C327-L370 HydrophobicContact CB-CB 4.49Å; C327-L370 PolarHBondContact N-O 3.22Å; C327-L370 WeakPolarHBondContact O-CA 3.38Å; C327-L370 PolarHBondContact O-N 3.39Å; I329-L370 HydrophobicContact CD1-CB 4.39Å; I329-L370 HydrophobicContact CD1-CD2 3.74Å; L341-L370 HydrophobicContact CD1-CD2 4Å; L341-L370 HydrophobicContact CD2-CD1 4.26Å; L341-L370 HydrophobicContact CD2-CD2 3.85Å; L341-L370 HydrophobicContact CG-CD2 4.49Å; L359-L370 HydrophobicContact CD1-CD2 4.35Å; L359-L370 HydrophobicContact CD2-CD1 3.75Å; L370-L372 HydrophobicContact CD1-CD2 4.07Å; L370-L372 HydrophobicContact CD2-CD1 4.08Å; L370-L372 HydrophobicContact CD2-CD2 4.06Å; L370-L372 HydrophobicContact CD2-CG 4.24Å; L370-L372 HydrophobicContact CG-CD1 4.3Å; L370-L372 HydrophobicContact CG-CD2 3.81Å; L370-L372 HydrophobicContact CG-CG 3.94Å
371P93.1Very high90.4Very high90 Ų9056.2 Ų56.258%0.58433%0.33SS*.EExtended strand (participates in β ladder)trans-73.5129.317229.4-32.7000109.9
372L93.2Very high90.4Very high14 Ų1450 Ų507%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-129150.4179.6-59.4174.7000109.7D324 I325 L341 M343 W351 L370 L387D324-L372 WeakPolarHBondContact CA-O 3.16Å; I325-L372 HydrophobicContact CD1-CB 4.47Å; I325-L372 HydrophobicContact CG1-CB 3.91Å; I325-L372 PolarHBondContact N-O 2.67Å; I325-L372 PolarHBondContact O-N 2.97Å; L341-L372 HydrophobicContact CD2-CD2 3.87Å; M343-L372 HydrophobicContact SD-CD2 4.11Å; W351-L372 HydrophobicContact CE3-CB 4.34Å; W351-L372 HydrophobicContact CE3-CD1 4.29Å; W351-L372 HydrophobicContact CH2-CD1 4.19Å; W351-L372 HydrophobicContact CZ3-CB 3.89Å; W351-L372 HydrophobicContact CZ3-CD1 3.57Å; W351-L372 HydrophobicContact CZ3-CG 4.32Å; L370-L372 HydrophobicContact CD1-CD2 4.07Å; L370-L372 HydrophobicContact CD2-CD1 4.08Å; L370-L372 HydrophobicContact CD2-CD2 4.06Å; L370-L372 HydrophobicContact CD2-CG 4.24Å; L370-L372 HydrophobicContact CG-CD1 4.3Å; L370-L372 HydrophobicContact CG-CD2 3.81Å; L370-L372 HydrophobicContact CG-CG 3.94Å; L372-L387 HydrophobicContact CD1-CD1 3.93Å; L372-L387 HydrophobicContact CD1-CD2 3.99Å
373K94.3Very high90.5Very high80 Ų8051.2 Ų51.235%0.34831%0.312SS..EExtended strand (participates in β ladder)trans-118.2139.7173.4179.2161.3-100.5148.50108.8P322 F323 D324 C352P322-K373 HydrophobicContact CB-CD 3.78Å; P322-K373 HydrophobicContact CB-CG 3.89Å; F323-K373 WeakPolarHBondContact O-CA 3.41Å; D324-K373 WeakPolarHBondContact OD1-CE 3.46Å; D324-K373 IonicContact OD1-NZ 3.39Å; D324-K373 PolarHBondContact OD1-NZ 3Å; D324-K373 WeakPolarHBondContact OD2-CE 3.39Å; D324-K373 IonicContact OD2-NZ 3.49Å; D324-K373 PolarHBondContact OD2-NZ 2.79Å; D324-K373 VanDerWaalsContact OD2-NZ 3.15Å; C352-K373 WeakPolarHBondContact CA-O 3.39Å; C352-K373 HydrophobicContact CB-CB 3.95Å; C352-K373 HydrophobicContact CB-CD 4.46Å; C352-K373 HydrophobicContact CB-CG 3.73Å; C352-K373 WeakPolarHBondContact CB-O 3.3Å; C352-K373 PolarHBondContact N-O 2.98Å
374L94Very high90.5Very high0 Ų048.5 Ų48.50%029%0.293CS..EExtended strand (participates in β ladder)trans-143.4163.9176.156.8147000110.5P322 F323 I325 I349 H350 W351 I384P322-L374 CarbonylContact C-O 3.58Å; P322-L374 VanDerWaalsContact CA-O 3.31Å; P322-L374 WeakPolarHBondContact CA-O 3.47Å; F323-L374 WeakPolarHBondContact CD1-O 3.1Å; F323-L374 HydrophobicContact CD2-CD2 4.32Å; F323-L374 HydrophobicContact CD2-CG 4.11Å; F323-L374 HydrophobicContact CE1-CD1 3.97Å; F323-L374 HydrophobicContact CE1-CG 4Å; F323-L374 HydrophobicContact CE2-CD1 3.5Å; F323-L374 VanDerWaalsContact CE2-CD1 3.5Å; F323-L374 HydrophobicContact CE2-CD2 3.89Å; F323-L374 HydrophobicContact CE2-CG 3.53Å; F323-L374 HydrophobicContact CZ-CD1 3.16Å; F323-L374 HydrophobicContact CZ-CD2 4.33Å; F323-L374 HydrophobicContact CZ-CG 3.49Å; F323-L374 VanDerWaalsContact CZ-CG 3.49Å; F323-L374 PolarHBondContact N-O 2.81Å; F323-L374 PolarHBondContact O-N 2.84Å; I325-L374 HydrophobicContact CB-CD2 4.22Å; I325-L374 HydrophobicContact CD1-CD2 3.52Å; I325-L374 HydrophobicContact CG1-CD2 3.52Å; I325-L374 HydrophobicContact CG2-CD2 3.76Å; I349-L374 HydrophobicContact CD1-CD1 4.23Å; I349-L374 HydrophobicContact CG2-CB 4.2Å; I349-L374 HydrophobicContact CG2-CD1 3.42Å; I349-L374 VanDerWaalsContact CG2-CD1 3.42Å; I349-L374 HydrophobicContact CG2-CG 4.46Å; H350-L374 CarbonylContact O-C 3.48Å; H350-L374 VanDerWaalsContact O-CA 3.22Å; H350-L374 WeakPolarHBondContact O-CA 3.46Å; H350-L374 WeakPolarHBondContact O-CB 3.36Å; W351-L374 HydrophobicContact CE3-CB 4.24Å; W351-L374 HydrophobicContact CE3-CD2 4.43Å; W351-L374 HydrophobicContact CH2-CD2 4.48Å; W351-L374 HydrophobicContact CZ3-CD2 3.94Å; L374-I384 HydrophobicContact CD1-CD1 4.02Å; L374-I384 HydrophobicContact CD1-CG1 4.17Å; L374-I384 HydrophobicContact CD1-CG2 4.26Å
375L93.8Very high90.8Very high47 Ų4746.9 Ų46.925%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-128.4147.3173.680.599.2000109.3H350H350-L375 HydrophobicContact CB-CD2 4.13Å; H350-L375 HydrophobicContact CB-CG 3.98Å; H350-L375 PolarHBondContact N-O 3.46Å; H350-L375 PolarHBondContact O-N 2.92Å
376S93.3Very high91.2Very high0 Ų043 Ų430%026%0.256CS..EExtended strand (participates in β ladder)trans-105.3136.1171.7-177.20000111.2E320 S348 V378 V408E320-S376 WeakPolarHBondContact CA-O 3.45Å; E320-S376 PolarHBondContact N-O 3.39Å; S348-S376 CarbonylContact O-C 3.52Å; S348-S376 WeakPolarHBondContact O-CA 3.46Å; S376-V378 PolarHBondContact OG-N 3.14Å; S376-V378 PolarHBondContact OG-O 3.29Å; S376-V408 WeakPolarHBondContact OG-CG2 3.5Å
377S92.1Very high91.6Very high39 Ų3941.7 Ų41.727%0.27325%0.246SC..  trans-105-2178.155.20000113.4L319 R347 S348 H350L319-S377 VanDerWaalsContact CD1-C 3.46Å; R347-S377 PolarHBondContact O-OG 2.8Å; S348-S377 PolarHBondContact O-N 3.47Å; S348-S377 PolarHBondContact O-OG 2.79Å; H350-S377 PolarHBondContact NE2-OG 3.03Å
378V93.1Very high91.9Very high64 Ų6443 Ų4339%0.38824%0.241SC..SBendtrans-131.7134.1-178.9-174.80000109.8S376 Q382 V408S376-V378 PolarHBondContact OG-N 3.14Å; S376-V378 PolarHBondContact OG-O 3.29Å; V378-Q382 WeakPolarHBondContact O-CG 3.43Å; V378-V408 WeakPolarHBondContact O-CB 3.01Å; V378-V408 WeakPolarHBondContact O-CG1 3.36Å
379Q91.4Very high92Very high131 Ų13140.7 Ų40.761%0.61223%0.229SC*.  trans-72.8160.9176.565.1-179.40.700112.9Q382Q379-Q382 PolarHBondContact O-NE2 2.69Å
380G91.6Very high92.1Very high33 Ų3338.9 Ų38.934%0.3422%0.216SC..EExtended strand (participates in β ladder)trans97.2-169.1179.600000113.2Q382 V408G380-Q382 PolarHBondContact O-N 2.92Å; G380-V408 PolarHBondContact N-O 2.79Å; G380-V408 PolarHBondContact O-N 2.82Å
381L92.1Very high92.2Very high114 Ų11438.7 Ų38.760%0.59721%0.214SC*.EExtended strand (participates in β ladder)trans-73.4109.8178.3-169.564.8000109.5Q405L381-Q405 HydrophobicContact CD1-CB 3.88Å; L381-Q405 HydrophobicContact CG-CB 4.2Å
382Q91.6Very high92Very high27 Ų2736.9 Ų36.913%0.12620%0.202CC..EExtended strand (participates in β ladder)trans-108.7131-176.8-62.7-55-3900111S348 I349 V378 Q379 G380 Q405 V406 V408S348-Q382 PolarHBondContact OG-OE1 3.29Å; I349-Q382 HydrophobicContact CD1-CB 4.09Å; V378-Q382 WeakPolarHBondContact O-CG 3.43Å; Q379-Q382 PolarHBondContact O-NE2 2.69Å; G380-Q382 PolarHBondContact O-N 2.92Å; Q382-Q405 CarbonylContact O-C 3.56Å; Q382-Q405 WeakPolarHBondContact O-CA 3.42Å; Q382-V406 HydrophobicContact CB-CG1 4.38Å; Q382-V406 PolarHBondContact N-O 2.72Å; Q382-V406 PolarHBondContact O-N 3.33Å; Q382-V408 HydrophobicContact CB-CG2 3.95Å; Q382-V408 HydrophobicContact CG-CB 4.28Å; Q382-V408 HydrophobicContact CG-CG2 3.56Å
383S90.8Very high91.7Very high34 Ų3441.8 Ų41.824%0.23822%0.223CC..EExtended strand (participates in β ladder)trans-82.7130.3173.8170.40000110.7I349 S385 D402 A404I349-S383 WeakPolarHBondContact CG1-O 3.29Å; S383-S385 PolarHBondContact OG-OG 2.89Å; S383-D402 VanDerWaalsContact CB-OD1 3.26Å; S383-D402 WeakPolarHBondContact CB-OD1 3.48Å; S383-D402 VanDerWaalsContact OG-CA 3.3Å; S383-D402 WeakPolarHBondContact OG-CA 3.24Å; S383-D402 VanDerWaalsContact OG-CG 3.32Å; S383-D402 PolarHBondContact OG-OD1 3.07Å; S383-A404 CarbonylContact C-O 3.57Å; S383-A404 WeakPolarHBondContact CA-O 3.13Å
384I90.4Very high91.3Very high0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-83.8125.8174.1-56.3-179.6000108I313 F323 I325 W351 L374 D402 I403 A404 V406I313-I384 HydrophobicContact CD1-CD1 3.67Å; F323-I384 HydrophobicContact CE2-CD1 4.37Å; I325-I384 HydrophobicContact CD1-CG2 4.47Å; I325-I384 HydrophobicContact CG2-CD1 4.43Å; W351-I384 HydrophobicContact CH2-CG2 3.72Å; W351-I384 HydrophobicContact CZ2-CG2 3.77Å; L374-I384 HydrophobicContact CD1-CD1 4.02Å; L374-I384 HydrophobicContact CD1-CG1 4.17Å; L374-I384 HydrophobicContact CD1-CG2 4.26Å; I384-D402 CarbonylContact O-C 3.57Å; I384-D402 WeakPolarHBondContact O-CA 3.16Å; I384-D402 PolarHBondContact O-N 3.44Å; I384-I403 HydrophobicContact CB-CD1 4.42Å; I384-I403 HydrophobicContact CB-CG1 3.89Å; I384-I403 HydrophobicContact CG2-CD1 3.74Å; I384-I403 HydrophobicContact CG2-CG1 3.78Å; I384-I403 WeakPolarHBondContact O-CG1 3.46Å; I384-I403 PolarHBondContact O-N 3.26Å; I384-A404 HydrophobicContact CB-CB 4.33Å; I384-A404 HydrophobicContact CD1-CB 4Å; I384-A404 HydrophobicContact CG1-CB 4.34Å; I384-A404 PolarHBondContact N-O 2.96Å; I384-V406 HydrophobicContact CD1-CG1 4.48Å; I384-V406 HydrophobicContact CG1-CG1 4.41Å
385S90.6Very high91Very high18 Ų1851 Ų5113%0.12627%0.267CS..  trans-150.8171-173.4-66.20000111.2W351 S383 D402W351-S385 PolarHBondContact NE1-O 2.84Å; W351-S385 VanDerWaalsContact NE1-O 3.11Å; S383-S385 PolarHBondContact OG-OG 2.89Å; S385-D402 PolarHBondContact OG-N 3.47Å
386G89.1Confident90.8Very high5 Ų554.9 Ų54.95%0.05228%0.278CS..  trans88.821.3173.900000115.2C344 Y400 D401C344-G386 PolarHBondContact N-O 3.15Å; G386-Y400 PolarHBondContact N-O 3.07Å; G386-D401 PolarHBondContact N-OD1 2.91Å
387L91.3Very high90.6Very high2 Ų257.9 Ų57.91%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-88.1131.1169-71.2-174.1000110.5L308 L341 M343 W351 L372 Y400 I403L308-L387 HydrophobicContact CD2-CD1 4.03Å; L341-L387 HydrophobicContact CD1-CD2 4.2Å; M343-L387 HydrophobicContact CG-CD2 3.9Å; W351-L387 HydrophobicContact CD2-CD2 4.12Å; W351-L387 HydrophobicContact CE3-CD2 4.14Å; W351-L387 HydrophobicContact CH2-CD1 3.73Å; W351-L387 HydrophobicContact CH2-CD2 3.5Å; W351-L387 VanDerWaalsContact CH2-CD2 3.5Å; W351-L387 HydrophobicContact CH2-CG 3.55Å; W351-L387 HydrophobicContact CZ2-CD1 4.15Å; W351-L387 HydrophobicContact CZ2-CD2 3.45Å; W351-L387 VanDerWaalsContact CZ2-CD2 3.45Å; W351-L387 HydrophobicContact CZ2-CG 3.45Å; W351-L387 VanDerWaalsContact CZ2-CG 3.45Å; W351-L387 HydrophobicContact CZ3-CD1 4.45Å; W351-L387 HydrophobicContact CZ3-CD2 3.85Å; W351-L387 HydrophobicContact CZ3-CG 4.36Å; L372-L387 HydrophobicContact CD1-CD1 3.93Å; L372-L387 HydrophobicContact CD1-CD2 3.99Å; L387-Y400 PolarHBondContact N-O 3.04Å; L387-Y400 PolarHBondContact O-N 2.79Å; L387-I403 HydrophobicContact CD1-CD1 3.61Å; L387-I403 HydrophobicContact CG-CD1 4.28Å
388R93.1Very high90.5Very high88 Ų8857 Ų5733%0.33229%0.288SS..EExtended strand (participates in β ladder)trans-129.5129.7176.6-63.4-178.9177175.3-6.3109.9E342 T397 Y398 E399E342-R388 HydrophobicContact CB-CB 4Å; E342-R388 PolarHBondContact N-O 3.2Å; E342-R388 PolarHBondContact O-N 3.07Å; R388-T397 HydrophobicContact CB-CG2 4.01Å; R388-T397 HydrophobicContact CG-CG2 4.48Å; R388-Y398 WeakPolarHBondContact CA-O 3.33Å; R388-E399 HydrophobicContact CG-CG 4.19Å; R388-E399 IonicContact CZ-OE1 3.28Å; R388-E399 IonicContact NE-OE1 2.92Å; R388-E399 PolarHBondContact NE-OE1 2.79Å; R388-E399 IonicContact NH2-OE1 2.79Å; R388-E399 PolarHBondContact NH2-OE1 2.87Å
389L92.6Very high90.3Very high3 Ų359.5 Ų59.52%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-113.1119.4175.1-63.1177.6000108.8V306 I329 V340 L341 L359 T397 Y398 Y400V306-L389 HydrophobicContact CG1-CD1 3.84Å; I329-L389 HydrophobicContact CD1-CD1 3.73Å; I329-L389 HydrophobicContact CD1-CD2 3.81Å; I329-L389 HydrophobicContact CD1-CG 4.45Å; I329-L389 HydrophobicContact CG1-CD1 3.88Å; I329-L389 HydrophobicContact CG2-CD1 3.86Å; V340-L389 WeakPolarHBondContact O-CA 3.17Å; L341-L389 HydrophobicContact CB-CD2 4.41Å; L341-L389 HydrophobicContact CD1-CD2 3.7Å; L359-L389 HydrophobicContact CD1-CD2 3.84Å; L389-T397 CarbonylContact O-C 3.43Å; L389-T397 WeakPolarHBondContact O-CA 3.39Å; L389-Y398 PolarHBondContact N-O 3.41Å; L389-Y398 WeakPolarHBondContact O-CD2 3.49Å; L389-Y398 PolarHBondContact O-N 3Å; L389-Y400 HydrophobicContact CB-CE2 4.21Å; L389-Y400 HydrophobicContact CD1-CD2 4.47Å; L389-Y400 HydrophobicContact CD1-CE2 3.71Å; L389-Y400 HydrophobicContact CG-CD2 4.45Å; L389-Y400 HydrophobicContact CG-CE2 3.96Å
390T92.3Very high90.2Very high23 Ų2355 Ų5514%0.14127%0.273CS..EExtended strand (participates in β ladder)trans-107120.5178.6-60.50000110.1L339 V340 T392 R396 T397L339-T390 WeakPolarHBondContact CA-O 3.47Å; V340-T390 PolarHBondContact N-O 2.73Å; V340-T390 PolarHBondContact O-N 3.5Å; T390-T392 PolarHBondContact O-N 2.9Å; T390-R396 WeakPolarHBondContact CA-O 3.44Å; T390-T397 WeakPolarHBondContact OG1-CG2 3.21Å; T390-T397 PolarHBondContact OG1-OG1 2.86Å
391D91.8Very high90Very high0 Ų058.2 Ų58.20%028%0.282CS..EExtended strand (participates in β ladder)trans-75.4113.6169.6178.8-0.2000108.8R335 L339 F393 K395 R396 Y398R335-D391 IonicContact CZ-OD2 3.43Å; R335-D391 IonicContact NE-OD2 3.47Å; R335-D391 PolarHBondContact NE-OD2 2.92Å; R335-D391 IonicContact NH2-OD2 3.12Å; R335-D391 PolarHBondContact NH2-OD2 2.77Å; L339-D391 HydrophobicContact CD2-CB 4.28Å; D391-F393 PolarHBondContact O-N 2.71Å; D391-F393 WeakPolarHBondContact OD1-CB 3.5Å; D391-F393 PolarHBondContact OD1-N 3.01Å; D391-K395 WeakPolarHBondContact O-CA 3.32Å; D391-K395 PolarHBondContact O-N 3.42Å; D391-R396 PolarHBondContact N-O 3.12Å; D391-R396 PolarHBondContact O-N 2.95Å; D391-Y398 HydrophobicContact CB-CE2 4.21Å
392T89Confident89.6Confident53 Ų5357.4 Ų57.433%0.32528%0.278SS..THydrogen-bonded Turntrans-67.9-24.2-176.762.30000112.8D338 V340 T390D338-T392 WeakPolarHBondContact CB-OG1 3.35Å; D338-T392 PolarHBondContact O-N 2.9Å; D338-T392 PolarHBondContact O-OG1 2.85Å; D338-T392 PolarHBondContact OD2-OG1 3.38Å; D338-T392 VanDerWaalsContact OD2-OG1 3.07Å; V340-T392 HydrophobicContact CG2-CG2 3.55Å; T390-T392 PolarHBondContact O-N 2.9Å
393F86.5Confident89.3Confident117 Ų11757.7 Ų57.751%0.51328%0.281SS..THydrogen-bonded Turntrans-75.9-51.1179.1-68.1-64000111.8D338 D391D338-F393 HydrophobicContact CB-CD2 3.99Å; D338-F393 HydrophobicContact CB-CE2 3.5Å; D338-F393 VanDerWaalsContact CB-CE2 3.5Å; D338-F393 HydrophobicContact CB-CZ 4.17Å; D391-F393 PolarHBondContact O-N 2.71Å; D391-F393 WeakPolarHBondContact OD1-CB 3.5Å; D391-F393 PolarHBondContact OD1-N 3.01Å
394L86.4Confident89Confident97 Ų9756.5 Ų56.551%0.50827%0.273SS..THydrogen-bonded Turntrans-87.7-8.1179.6-67.9-159.6000113.7R396L394-R396 HydrophobicContact CB-CB 4.18Å; L394-R396 PolarHBondContact O-N 3.34Å
395K88.3Confident88.9Confident176 Ų17661.7 Ų61.777%0.76530%0.297SS*.THydrogen-bonded Turntrans5135.5-170.9-55.1-173.4-178.4-175.20112.1D391D391-K395 WeakPolarHBondContact O-CA 3.32Å; D391-K395 PolarHBondContact O-N 3.42Å
396R89.6Confident88.8Confident128 Ų12860.9 Ų60.948%0.48329%0.291SS..EExtended strand (participates in β ladder)trans-101.3128.3179.8-174.8172.6-179.2-173.46.8108.7D305 T390 D391 L394 Y398D305-R396 IonicContact OD2-CZ 2.67Å; D305-R396 IonicContact OD2-NH1 3.48Å; D305-R396 PolarHBondContact OD2-NH1 2.77Å; T390-R396 WeakPolarHBondContact CA-O 3.44Å; D391-R396 PolarHBondContact N-O 3.12Å; D391-R396 PolarHBondContact O-N 2.95Å; L394-R396 HydrophobicContact CB-CB 4.18Å; L394-R396 PolarHBondContact O-N 3.34Å; R396-Y398 HydrophobicContact CB-CE2 4.37Å; R396-Y398 HydrophobicContact CG-CE1 4.46Å; R396-Y398 HydrophobicContact CG-CE2 4.21Å
397T89.8Confident89Confident63 Ų6363 Ų6339%0.38730%0.304SS..EExtended strand (participates in β ladder)trans-100131.4175.5-55.30000109.5R388 L389 T390 E399R388-T397 HydrophobicContact CB-CG2 4.01Å; R388-T397 HydrophobicContact CG-CG2 4.48Å; L389-T397 CarbonylContact O-C 3.43Å; L389-T397 WeakPolarHBondContact O-CA 3.39Å; T390-T397 WeakPolarHBondContact OG1-CG2 3.21Å; T390-T397 PolarHBondContact OG1-OG1 2.86Å; T397-E399 HydrophobicContact CG2-CG 4.3Å
398Y89Confident89Confident21 Ų2163 Ų638%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-105.8118.4174-56.5-91.5000107D305 V306 R335 R388 L389 D391 R396D305-Y398 HydrophobicContact CB-CE1 3.88Å; D305-Y398 VanDerWaalsContact CB-OH 3.29Å; D305-Y398 WeakPolarHBondContact CB-OH 3.24Å; D305-Y398 PolarHBondContact OD2-OH 3.34Å; V306-Y398 HydrophobicContact CB-CD1 4.39Å; V306-Y398 HydrophobicContact CB-CD2 4.37Å; V306-Y398 HydrophobicContact CB-CG 4.27Å; V306-Y398 HydrophobicContact CG2-CD1 4.39Å; V306-Y398 HydrophobicContact CG2-CD2 3.84Å; V306-Y398 HydrophobicContact CG2-CE1 4.26Å; V306-Y398 HydrophobicContact CG2-CE2 3.72Å; V306-Y398 HydrophobicContact CG2-CG 4.2Å; R335-Y398 PolarHBondContact NH2-OH 2.91Å; R388-Y398 WeakPolarHBondContact CA-O 3.33Å; L389-Y398 PolarHBondContact N-O 3.41Å; L389-Y398 WeakPolarHBondContact O-CD2 3.49Å; L389-Y398 PolarHBondContact O-N 3Å; D391-Y398 HydrophobicContact CB-CE2 4.21Å; R396-Y398 HydrophobicContact CB-CE2 4.37Å; R396-Y398 HydrophobicContact CG-CE1 4.46Å; R396-Y398 HydrophobicContact CG-CE2 4.21Å
399E90.1Very high89Confident116 Ų11661.4 Ų61.454%0.54231%0.305SS..EExtended strand (participates in β ladder)trans-100.4133.3-177.2-55.8-171.5144.600109.5R388 T397R388-E399 HydrophobicContact CG-CG 4.19Å; R388-E399 IonicContact CZ-OE1 3.28Å; R388-E399 IonicContact NE-OE1 2.92Å; R388-E399 PolarHBondContact NE-OE1 2.79Å; R388-E399 IonicContact NH2-OE1 2.79Å; R388-E399 PolarHBondContact NH2-OE1 2.87Å; T397-E399 HydrophobicContact CG2-CG 4.3Å
400Y88.3Confident88.6Confident38 Ų3864.7 Ų64.715%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-126.2104.6-179.8-57.9-87.1000109.5V306 L308 G386 L387 L389V306-Y400 VanDerWaalsContact CB-OH 3.3Å; V306-Y400 WeakPolarHBondContact CB-OH 3.39Å; V306-Y400 VanDerWaalsContact CG1-OH 3.3Å; V306-Y400 WeakPolarHBondContact CG1-OH 3.22Å; V306-Y400 PolarHBondContact O-OH 3.33Å; L308-Y400 HydrophobicContact CB-CD1 3.68Å; L308-Y400 HydrophobicContact CB-CE1 3.53Å; L308-Y400 HydrophobicContact CB-CE2 4.42Å; L308-Y400 HydrophobicContact CB-CG 4.19Å; L308-Y400 HydrophobicContact CD2-CD1 3.87Å; L308-Y400 HydrophobicContact CD2-CD2 4.11Å; L308-Y400 HydrophobicContact CD2-CG 3.64Å; L308-Y400 HydrophobicContact CG-CD1 4.44Å; G386-Y400 PolarHBondContact N-O 3.07Å; L387-Y400 PolarHBondContact N-O 3.04Å; L387-Y400 PolarHBondContact O-N 2.79Å; L389-Y400 HydrophobicContact CB-CE2 4.21Å; L389-Y400 HydrophobicContact CD1-CD2 4.47Å; L389-Y400 HydrophobicContact CD1-CE2 3.71Å; L389-Y400 HydrophobicContact CG-CD2 4.45Å; L389-Y400 HydrophobicContact CG-CE2 3.96Å
401D87.1Confident87.7Confident99 Ų9966.1 Ų66.153%0.52934%0.337SS..  trans-116.4153.4173.1-65.7-46.6000109.2G386 I403G386-D401 PolarHBondContact N-OD1 2.91Å; D401-I403 VanDerWaalsContact C-N 3.33Å; D401-I403 PolarHBondContact O-N 3.23Å
402D84.4Confident86.4Confident97 Ų9777 Ų7752%0.51938%0.379SS..SBendtrans52.545.7-174.8-15823.2000113.9S383 I384 S385 A404S383-D402 VanDerWaalsContact CB-OD1 3.26Å; S383-D402 WeakPolarHBondContact CB-OD1 3.48Å; S383-D402 VanDerWaalsContact OG-CA 3.3Å; S383-D402 WeakPolarHBondContact OG-CA 3.24Å; S383-D402 VanDerWaalsContact OG-CG 3.32Å; S383-D402 PolarHBondContact OG-OD1 3.07Å; I384-D402 CarbonylContact O-C 3.57Å; I384-D402 WeakPolarHBondContact O-CA 3.16Å; I384-D402 PolarHBondContact O-N 3.44Å; S385-D402 PolarHBondContact OG-N 3.47Å; D402-A404 VanDerWaalsContact C-N 3.31Å; D402-A404 PolarHBondContact O-N 3.27Å
403I85Confident84.8Confident34 Ų3482.7 Ų82.717%0.17440%0.404CS..  trans-74.1-22.7-175.769179.1000113.1L308 L310 W351 I384 L387 D401L308-I403 HydrophobicContact CD2-CD1 4.29Å; L308-I403 HydrophobicContact CD2-CG2 3.95Å; L310-I403 WeakPolarHBondContact CD1-O 3.35Å; W351-I403 HydrophobicContact CH2-CD1 4.48Å; I384-I403 HydrophobicContact CB-CD1 4.42Å; I384-I403 HydrophobicContact CB-CG1 3.89Å; I384-I403 HydrophobicContact CG2-CD1 3.74Å; I384-I403 HydrophobicContact CG2-CG1 3.78Å; I384-I403 WeakPolarHBondContact O-CG1 3.46Å; I384-I403 PolarHBondContact O-N 3.26Å; L387-I403 HydrophobicContact CD1-CD1 3.61Å; L387-I403 HydrophobicContact CG-CD1 4.28Å; D401-I403 VanDerWaalsContact C-N 3.33Å; D401-I403 PolarHBondContact O-N 3.23Å
404A84.3Confident82.9Confident9 Ų982.2 Ų82.27%0.07442%0.416CS..EExtended strand (participates in β ladder)trans-164.2165-179.100000110.7L310 I313 S383 I384 D402L310-A404 HydrophobicContact CD1-CB 3.27Å; I313-A404 HydrophobicContact CD1-CB 3.24Å; S383-A404 CarbonylContact C-O 3.57Å; S383-A404 WeakPolarHBondContact CA-O 3.13Å; I384-A404 HydrophobicContact CB-CB 4.33Å; I384-A404 HydrophobicContact CD1-CB 4Å; I384-A404 HydrophobicContact CG1-CB 4.34Å; I384-A404 PolarHBondContact N-O 2.96Å; D402-A404 VanDerWaalsContact C-N 3.31Å; D402-A404 PolarHBondContact O-N 3.27Å
405Q88.3Confident80.9Confident109 Ų10989.2 Ų89.251%0.50944%0.435SS..EExtended strand (participates in β ladder)trans-124.5136.1170.1-63.5-177.7-13.300110.8L381 Q382L381-Q405 HydrophobicContact CD1-CB 3.88Å; L381-Q405 HydrophobicContact CG-CB 4.2Å; Q382-Q405 CarbonylContact O-C 3.56Å; Q382-Q405 WeakPolarHBondContact O-CA 3.42Å
406V89Confident78.8Confident0 Ų090 Ų900%044%0.442CS..EExtended strand (participates in β ladder)trans-126.4137177.963.90000110.3P314 V317 F323 Q382 I384 V408P314-V406 WeakPolarHBondContact O-CG2 3.38Å; V317-V406 HydrophobicContact CB-CG2 4.14Å; V317-V406 HydrophobicContact CG1-CG2 3.57Å; V317-V406 HydrophobicContact CG2-CG1 4.32Å; V317-V406 HydrophobicContact CG2-CG2 3.6Å; F323-V406 HydrophobicContact CZ-CG1 4.02Å; Q382-V406 HydrophobicContact CB-CG1 4.38Å; Q382-V406 PolarHBondContact N-O 2.72Å; Q382-V406 PolarHBondContact O-N 3.33Å; I384-V406 HydrophobicContact CD1-CG1 4.48Å; I384-V406 HydrophobicContact CG1-CG1 4.41Å; V406-V408 HydrophobicContact CG1-CG2 4.13Å; V406-V408 PolarHBondContact O-N 2.82Å
407C92.1Very high76.4Confident49 Ų4993.2 Ų93.233%0.33148%0.484SS..EExtended strand (participates in β ladder)trans-82.5112.4175.6-168.60000110D315 T316 V317D315-C407 WeakPolarHBondContact O-CB 3.41Å; D315-C407 PolarHBondContact O-N 2.78Å; D315-C407 VanDerWaalsContact O-N 3.13Å; T316-C407 CarbonylContact C-O 3.56Å; T316-C407 VanDerWaalsContact CA-O 3.27Å; T316-C407 WeakPolarHBondContact CA-O 3.21Å; V317-C407 PolarHBondContact N-O 3.38Å
408V92.4Very high75.7Confident3 Ų394.8 Ų94.82%0.01849%0.488CS..EExtended strand (participates in β ladder)trans-96.7117.1-178.8-173.80000109.5V317 L319 S376 V378 G380 Q382 V406V317-V408 HydrophobicContact CG2-CB 4.29Å; V317-V408 HydrophobicContact CG2-CG1 4.35Å; V317-V408 HydrophobicContact CG2-CG2 3.73Å; V317-V408 CarbonylContact O-C 3.55Å; V317-V408 WeakPolarHBondContact O-CA 3.38Å; L319-V408 HydrophobicContact CB-CG1 4.23Å; L319-V408 HydrophobicContact CD1-CG1 3.98Å; S376-V408 WeakPolarHBondContact OG-CG2 3.5Å; V378-V408 WeakPolarHBondContact O-CB 3.01Å; V378-V408 WeakPolarHBondContact O-CG1 3.36Å; G380-V408 PolarHBondContact N-O 2.79Å; G380-V408 PolarHBondContact O-N 2.82Å; Q382-V408 HydrophobicContact CB-CG2 3.95Å; Q382-V408 HydrophobicContact CG-CB 4.28Å; Q382-V408 HydrophobicContact CG-CG2 3.56Å; V406-V408 HydrophobicContact CG1-CG2 4.13Å; V406-V408 PolarHBondContact O-N 2.82Å
409V92.8Very high75Confident55 Ų5598.6 Ų98.633%0.33351%0.51SS..EExtended strand (participates in β ladder)trans-110.6145.6-178.3-63.50000110.9T316 V317 N318 L319T316-V409 HydrophobicContact CG2-CB 4.43Å; T316-V409 HydrophobicContact CG2-CG1 3.87Å; T316-V409 HydrophobicContact CG2-CG2 3.66Å; V317-V409 WeakPolarHBondContact O-CG2 3.43Å; V317-V409 PolarHBondContact O-N 2.86Å; N318-V409 CarbonylContact C-O 3.6Å; N318-V409 WeakPolarHBondContact CA-O 3.18Å; L319-V409 PolarHBondContact N-O 3.33Å
410C85Confident74.2Confident71 Ų7197.7 Ų97.748%0.4851%0.508SS..  trans-73.3129.5167.9-1710000107.9Y412C410-Y412 PolarHBondContact O-N 3.39Å
411P73.8Confident73.3Confident53 Ų53101.2 Ų101.234%0.34453%0.529SS..  trans-57.6131.5170.321.7-29.1000108.6M413P411-M413 PolarHBondContact O-N 3.01Å
412Y63.3Low72.5Confident230 Ų230101.3 Ų101.390%0.90253%0.529SS*.  trans-57.8108.6176.6-107.9-94.7000108.5C410 S414C410-Y412 PolarHBondContact O-N 3.39Å; Y412-S414 PolarHBondContact O-N 3.07Å; Y412-S414 VanDerWaalsContact O-N 3.1Å
413M55.7Low71.7Confident172 Ų172101.6 Ų101.685%0.84753%0.53SS*.  trans-71.9103.1164.3-66.3-159.481.200107.2P411 R415P411-M413 PolarHBondContact O-N 3.01Å; M413-R415 PolarHBondContact O-N 2.94Å
414S46.4Very low70.7Confident107 Ų107106.4 Ų106.475%0.74856%0.555SS**PPolyproline II helixtrans-48.9117.2160.6-53.80000107.2Y412 E416Y412-S414 PolarHBondContact O-N 3.07Å; Y412-S414 VanDerWaalsContact O-N 3.1Å; S414-E416 PolarHBondContact O-N 3.21Å
415R43.6Very low69.7Low244 Ų244113.9 Ų113.992%0.92159%0.592SS**PPolyproline II helixtrans-53.8116.4170.9-84.7-179.8171.6177.5-1.7107.2M413M413-R415 PolarHBondContact O-N 2.94Å
416E44.7Very low68.1Low193 Ų193114.3 Ų114.390%0.90260%0.599SS**PPolyproline II helixtrans-51.4139.8171.1-70.2179.2145.900109.5S414S414-E416 PolarHBondContact O-N 3.21Å
417S38.9Very low66.2Low195 Ų195124.7 Ų124.7100%1.36465%0.654SS**  trans-75.90-176.4-32.90000111.8

Retrieved 417 of 417 residues in 2253.6 ms (Link to these results)

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