G4LZJ7_SCHMA Loading...

Ankyrin repeat-containing, putative

AlphaFold DB , UniProt , Accession G4LZJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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
1M42.7Very low65.5Low242 Ų242115.8 Ų115.8100%1.19264%0.644SS**  098.50-75.3170.3160.700106.9S3M1-S3 PolarHBondContact O-N 3.03Å
2S49.7Very low66.7Low113 Ų113107.8 Ų107.879%0.7960%0.599SS**  trans-64.7117.1168.753.70000106.5V4S2-V4 PolarHBondContact O-N 3.22Å
3S56.7Low67.3Low104 Ų104108.7 Ų108.773%0.72760%0.602SS**  trans-53.7116.1166.950.90000106.8M1 E5M1-S3 PolarHBondContact O-N 3.03Å; S3-E5 PolarHBondContact O-N 2.95Å
4V58.7Low68.1Low129 Ų129107.6 Ų107.678%0.78261%0.606SS**  trans-62.2107.1168.8-178.40000104.5S2 E6S2-V4 PolarHBondContact O-N 3.22Å; V4-E6 PolarHBondContact O-N 3.17Å
5E63.9Low69.2Low111 Ų111107.5 Ų107.552%0.51960%0.596SS.*PPolyproline II helixtrans-57.8123.3173.9-73.8-174.6-173.700107.3S3 S302 I303S3-E5 PolarHBondContact O-N 2.95Å; E5-S302 VanDerWaalsContact OE2-CB 3.24Å; E5-S302 WeakPolarHBondContact OE2-CB 3.46Å; E5-S302 PolarHBondContact OE2-OG 3.39Å; E5-I303 HydrophobicContact CB-CD1 4.49Å; E5-I303 HydrophobicContact CB-CG1 4.24Å; E5-I303 VanDerWaalsContact O-CD1 3.25Å; E5-I303 WeakPolarHBondContact O-CD1 3.25Å
6E70.3Confident70.4Confident157 Ų157110.1 Ų110.173%0.73460%0.6SS**PPolyproline II helixtrans-79.3134.1177.9-75-173.7169.300110V4 A8V4-E6 PolarHBondContact O-N 3.17Å; E6-A8 PolarHBondContact O-N 3.19Å
7C77.4Confident71.7Confident67 Ų67104.1 Ų104.145%0.45357%0.567SS.*PPolyproline II helixtrans-61.3119.1174.21760000110.5C9 I303 H304C7-C9 PolarHBondContact SG-SG 2.88Å; C7-I303 HydrophobicContact CB-CD1 4.01Å; C7-H304 PolarHBondContact SG-CE1 2.72Å
8A76.6Confident72.8Confident27 Ų2799.1 Ų99.122%0.22354%0.541CS..  trans-95.810.2179.500000114E6 N10 K11 L12 C301E6-A8 PolarHBondContact O-N 3.19Å; A8-N10 VanDerWaalsContact C-N 3.27Å; A8-N10 PolarHBondContact O-N 3.07Å; A8-K11 WeakPolarHBondContact O-CA 3.24Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 3Å; A8-L12 PolarHBondContact O-N 2.64Å; A8-C301 PolarHBondContact N-SG 3.48Å
9C77.3Confident73.9Confident40 Ų4093.9 Ų93.927%0.2751%0.513SS..G310 helixtrans-54.4-41.3-174.6-69.20000112.9C7 K11 L12 C301 H304C7-C9 PolarHBondContact SG-SG 2.88Å; C9-K11 PolarHBondContact O-N 3.37Å; C9-L12 WeakPolarHBondContact O-CG 3.22Å; C9-L12 PolarHBondContact O-N 3.2Å; C9-C301 VanDerWaalsContact SG-SG 3.63Å; C9-H304 PolarHBondContact SG-ND1 2.85Å
10N73.6Confident74.9Confident158 Ų15890.4 Ų90.485%0.84550%0.495SS*.G310 helixtrans-67.8-17.2178.8-64.8-15.3000113.6A8A8-N10 VanDerWaalsContact C-N 3.27Å; A8-N10 PolarHBondContact O-N 3.07Å
11K74.1Confident75.7Confident126 Ų12689.9 Ų89.955%0.54849%0.492SS..G310 helixtrans-92.8-14.2179.2-60.5179.9-177.7171.20112.5A8 C9 N13 S14A8-K11 WeakPolarHBondContact O-CA 3.24Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 3Å; C9-K11 PolarHBondContact O-N 3.37Å; K11-N13 PolarHBondContact O-N 2.77Å; K11-S14 WeakPolarHBondContact O-CB 3.22Å; K11-S14 PolarHBondContact O-N 3.44Å; K11-S14 PolarHBondContact O-OG 3.48Å
12L79Confident78Confident19 Ų1978.5 Ų78.510%0.09944%0.436CS..G310 helixtrans-60.1-33.2-177-58.4176.7000112A8 C9 S14 F15 I299A8-L12 PolarHBondContact O-N 2.64Å; C9-L12 WeakPolarHBondContact O-CG 3.22Å; C9-L12 PolarHBondContact O-N 3.2Å; L12-S14 PolarHBondContact O-N 2.99Å; L12-F15 PolarHBondContact O-N 3.24Å; L12-I299 HydrophobicContact CB-CG2 4.3Å; L12-I299 HydrophobicContact CD2-CG2 3.69Å
13N74.8Confident80.1Confident120 Ų12073.6 Ų73.664%0.64240%0.401SS*.G310 helixtrans-73.1-7.5177.8-71.1-27.9000114.7K11K11-N13 PolarHBondContact O-N 2.77Å
14S79Confident81.9Confident94 Ų9468.7 Ų68.766%0.65737%0.366SS*.G310 helixtrans-82.8-15.3177.369.80000113.6K11 L12K11-S14 WeakPolarHBondContact O-CB 3.22Å; K11-S14 PolarHBondContact O-N 3.44Å; K11-S14 PolarHBondContact O-OG 3.48Å; L12-S14 PolarHBondContact O-N 2.99Å
15F84Confident83.8Confident105 Ų10562.5 Ų62.546%0.46133%0.329SS..SBendtrans-81.3145.6177.4-66.4-91.3000110.9L12 I299L12-F15 PolarHBondContact O-N 3.24Å; F15-I299 HydrophobicContact CB-CD1 3.42Å; F15-I299 VanDerWaalsContact CB-CD1 3.42Å; F15-I299 HydrophobicContact CB-CG1 4.02Å; F15-I299 HydrophobicContact CB-CG2 4.19Å; F15-I299 HydrophobicContact CD1-CD1 4.38Å; F15-I299 HydrophobicContact CD1-CG1 4.19Å; F15-I299 HydrophobicContact CD2-CG1 4.44Å; F15-I299 HydrophobicContact CD2-CG2 3.44Å; F15-I299 VanDerWaalsContact CD2-CG2 3.44Å; F15-I299 HydrophobicContact CE2-CG2 3.9Å; F15-I299 HydrophobicContact CG-CD1 3.94Å; F15-I299 HydrophobicContact CG-CG1 3.97Å; F15-I299 HydrophobicContact CG-CG2 3.82Å
16K89.3Confident85.4Confident150 Ų15057.2 Ų57.265%0.65230%0.304SS*.PPolyproline II helixtrans-72.8139.4173.5-69.4-177.9173.4-171.20110C20K16-C20 HydrophobicContact CB-CB 4.04Å; K16-C20 HydrophobicContact CD-CB 4.36Å; K16-C20 HydrophobicContact CG-CB 4.5Å
17S92.4Very high86.8Confident7 Ų749.8 Ų49.85%0.04927%0.269CS..PPolyproline II helixtrans-59.8157.7169.466.30000111.6W19 C20 D52S17-W19 VanDerWaalsContact CB-CE2 3.42Å; S17-W19 PolarHBondContact O-N 3.18Å; S17-W19 PolarHBondContact OG-NE1 3.21Å; S17-W19 VanDerWaalsContact OG-NE1 3.11Å; S17-C20 WeakPolarHBondContact O-CB 3.46Å; S17-C20 PolarHBondContact O-N 3.39Å; S17-C20 PolarHBondContact OG-N 3.4Å; S17-C20 VanDerWaalsContact OG-N 3.13Å; S17-D52 WeakPolarHBondContact CB-OD1 3.4Å; S17-D52 WeakPolarHBondContact CB-OD2 3.37Å; S17-D52 VanDerWaalsContact N-CG 3.3Å; S17-D52 PolarHBondContact N-OD1 3.46Å; S17-D52 PolarHBondContact N-OD2 3.43Å; S17-D52 PolarHBondContact OG-O 3.37Å; S17-D52 PolarHBondContact OG-OD1 3.19Å; S17-D52 PolarHBondContact OG-OD2 2.86Å
18P91.9Very high87.8Confident15 Ų1546.6 Ų46.610%0.09725%0.248CC..THydrogen-bonded Turntrans-64.3-18.6173.630.7-40000113.1W131 L281 Q284 P286P18-W131 HydrophobicContact CG-CZ2 4.08Å; P18-L281 WeakPolarHBondContact CG-O 3.49Å; P18-Q284 HydrophobicContact CB-CB 4.34Å; P18-Q284 HydrophobicContact CG-CB 4.04Å; P18-P286 HydrophobicContact CB-CG 3.63Å
19W93.2Very high88.8Confident1 Ų145.3 Ų45.30%0.00424%0.238CC..THydrogen-bonded Turntrans-96.70.7179.654.576.4000114.3S17 N21 A22 M47 A54 W131 I278 L281 K282S17-W19 VanDerWaalsContact CB-CE2 3.42Å; S17-W19 PolarHBondContact O-N 3.18Å; S17-W19 PolarHBondContact OG-NE1 3.21Å; S17-W19 VanDerWaalsContact OG-NE1 3.11Å; W19-N21 PolarHBondContact O-N 3.13Å; W19-N21 VanDerWaalsContact O-N 3.1Å; W19-A22 WeakPolarHBondContact O-CB 3.43Å; W19-A22 PolarHBondContact O-N 2.95Å; W19-M47 HydrophobicContact CB-CE 3.6Å; W19-M47 HydrophobicContact CD2-CE 4.27Å; W19-M47 HydrophobicContact CD2-CG 3.97Å; W19-M47 HydrophobicContact CD2-SD 4.45Å; W19-M47 HydrophobicContact CG-CE 3.73Å; W19-M47 HydrophobicContact CG-CG 4.02Å; W19-M47 HydrophobicContact CG-SD 4.45Å; W19-M47 HydrophobicContact CZ2-CG 4.43Å; W19-A54 HydrophobicContact CB-CB 4.31Å; W19-A54 VanDerWaalsContact O-CA 3.25Å; W19-A54 WeakPolarHBondContact O-CA 3.43Å; W19-W131 HydrophobicContact CB-CD2 4.46Å; W19-W131 HydrophobicContact CB-CE3 4.03Å; W19-W131 HydrophobicContact CD2-CZ3 4.42Å; W19-W131 HydrophobicContact CE3-CD2 4.46Å; W19-W131 HydrophobicContact CE3-CE3 4.03Å; W19-W131 AromaticContact CE3-CH2 3.52Å; W19-W131 HydrophobicContact CE3-CH2 3.52Å; W19-W131 AromaticContact CE3-CZ2 3.98Å; W19-W131 HydrophobicContact CE3-CZ2 3.98Å; W19-W131 AromaticContact CE3-CZ3 3.54Å; W19-W131 HydrophobicContact CE3-CZ3 3.54Å; W19-W131 AromaticContact CZ3-CH2 3.73Å; W19-W131 HydrophobicContact CZ3-CH2 3.73Å; W19-W131 HydrophobicContact CZ3-CZ2 4.19Å; W19-W131 HydrophobicContact CZ3-CZ3 4.17Å; W19-I278 HydrophobicContact CH2-CG2 4.17Å; W19-L281 HydrophobicContact CH2-CB 4.26Å; W19-L281 HydrophobicContact CZ3-CB 3.9Å; W19-K282 VanDerWaalsContact CH2-CA 3.45Å; W19-K282 HydrophobicContact CH2-CB 3.69Å; W19-K282 HydrophobicContact CH2-CG 4.16Å; W19-K282 HydrophobicContact CZ2-CB 3.98Å; W19-K282 HydrophobicContact CZ2-CG 3.96Å
20C92.9Very high89.7Confident23 Ų2344.2 Ų44.216%0.15523%0.233CC..THydrogen-bonded Turntrans-54.3117-179.1-169.80000111.7K16 S17 A22 D52K16-C20 HydrophobicContact CB-CB 4.04Å; K16-C20 HydrophobicContact CD-CB 4.36Å; K16-C20 HydrophobicContact CG-CB 4.5Å; S17-C20 WeakPolarHBondContact O-CB 3.46Å; S17-C20 PolarHBondContact O-N 3.39Å; S17-C20 PolarHBondContact OG-N 3.4Å; S17-C20 VanDerWaalsContact OG-N 3.13Å; C20-A22 PolarHBondContact O-N 3.05Å; C20-A22 VanDerWaalsContact O-N 3.14Å; C20-D52 WeakPolarHBondContact CB-OD1 3.33Å; C20-D52 PolarHBondContact SG-OD1 3.25Å; C20-D52 VanDerWaalsContact SG-OD1 3.37Å
21N91.4Very high90.9Very high80 Ų8036.7 Ų36.743%0.42819%0.192SC..THydrogen-bonded Turntrans55.619.6-175-57.4-63.6000114.9W19 H53 A55 Q128W19-N21 PolarHBondContact O-N 3.13Å; W19-N21 VanDerWaalsContact O-N 3.1Å; N21-H53 PolarHBondContact N-O 2.86Å; N21-A55 WeakPolarHBondContact O-CB 3.43Å; N21-Q128 WeakPolarHBondContact O-CG 3.45Å
22A91.8Very high91.9Very high2 Ų231.2 Ų31.22%0.01717%0.17CC..  trans-90.2151.9-179.800000112.1W19 C20 A55 S56 C129 W131W19-A22 WeakPolarHBondContact O-CB 3.43Å; W19-A22 PolarHBondContact O-N 2.95Å; C20-A22 PolarHBondContact O-N 3.05Å; C20-A22 VanDerWaalsContact O-N 3.14Å; A22-A55 PolarHBondContact O-N 3.33Å; A22-S56 PolarHBondContact O-N 3.18Å; A22-C129 WeakPolarHBondContact CA-O 3.22Å; A22-C129 WeakPolarHBondContact CB-O 3.42Å; A22-W131 HydrophobicContact CB-CB 4.27Å
23D93.5Very high92.8Very high11 Ų1136.2 Ų36.26%0.05919%0.188CC..EExtended strand (participates in β ladder)trans-87.2111.2163.9-69.2-51.4000108.9F25 S56 Y121 Q128 C129 Q130 W131D23-F25 HydrophobicContact CB-CE2 4.15Å; D23-S56 WeakPolarHBondContact CA-OG 3.24Å; D23-S56 WeakPolarHBondContact CB-OG 3.38Å; D23-S56 WeakPolarHBondContact OD1-CB 3.36Å; D23-S56 PolarHBondContact OD1-OG 3.07Å; D23-Y121 HydrophobicContact CB-CD1 3.97Å; D23-Y121 HydrophobicContact CB-CE1 4.29Å; D23-Y121 VanDerWaalsContact CG-CD1 3.45Å; D23-Y121 WeakPolarHBondContact OD1-CE1 3.1Å; D23-Q128 VanDerWaalsContact OD2-CD 3.31Å; D23-Q128 PolarHBondContact OD2-NE2 2.95Å; D23-Q128 VanDerWaalsContact OD2-NE2 3.1Å; D23-C129 PolarHBondContact N-O 2.92Å; D23-C129 VanDerWaalsContact N-O 3.12Å; D23-Q130 HydrophobicContact CB-CG 4.48Å; D23-Q130 VanDerWaalsContact O-CA 3.24Å; D23-Q130 WeakPolarHBondContact O-CA 3.41Å; D23-W131 PolarHBondContact O-N 2.89Å; D23-W131 VanDerWaalsContact O-N 3.13Å
24C95.9Very high93.8Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-103.1135.4-168.9-55.70000111.5M47 S56 L57 N58 W131C24-M47 HydrophobicContact CB-CE 3.63Å; C24-M47 WeakPolarHBondContact SG-CE 3.5Å; C24-S56 WeakPolarHBondContact CB-O 3.38Å; C24-S56 PolarHBondContact N-O 3.36Å; C24-L57 HydrophobicContact CB-CD1 4.11Å; C24-N58 WeakPolarHBondContact O-CB 3.27Å; C24-N58 PolarHBondContact O-N 3.08Å; C24-N58 PolarHBondContact O-ND2 3.32Å; C24-W131 WeakPolarHBondContact CA-O 3.15Å; C24-W131 HydrophobicContact CB-CE3 4.41Å
25F97.5Very high94.8Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-123.1114.3177.3-60.3-87.3000109.7D23 N58 L114 L117 A118 Y121 Q130 W131 N132 M133 F179D23-F25 HydrophobicContact CB-CE2 4.15Å; F25-N58 CarbonylContact C-O 3.51Å; F25-N58 WeakPolarHBondContact CA-O 3.28Å; F25-N58 HydrophobicContact CD1-CB 3.73Å; F25-N58 HydrophobicContact CE1-CB 3.87Å; F25-L114 HydrophobicContact CD1-CD1 4.04Å; F25-L114 HydrophobicContact CD1-CG 4.46Å; F25-L117 HydrophobicContact CE1-CG 4.31Å; F25-A118 HydrophobicContact CD1-CB 3.67Å; F25-A118 HydrophobicContact CD2-CB 4.29Å; F25-A118 HydrophobicContact CE1-CB 3.61Å; F25-A118 HydrophobicContact CE2-CB 4.23Å; F25-A118 HydrophobicContact CG-CB 4.04Å; F25-A118 HydrophobicContact CZ-CB 3.91Å; F25-Y121 HydrophobicContact CE1-CD2 4.08Å; F25-Y121 HydrophobicContact CE1-CE2 4.11Å; F25-Y121 AromaticContact CZ-CD2 3.57Å; F25-Y121 HydrophobicContact CZ-CD2 3.57Å; F25-Y121 AromaticContact CZ-CE2 3.91Å; F25-Y121 HydrophobicContact CZ-CE2 3.91Å; F25-Y121 AromaticContact CZ-CG 3.92Å; F25-Y121 HydrophobicContact CZ-CG 3.92Å; F25-Q130 HydrophobicContact CE2-CG 4.14Å; F25-W131 PolarHBondContact N-O 3.2Å; F25-W131 VanDerWaalsContact N-O 3.07Å; F25-N132 WeakPolarHBondContact CD2-OD1 3.3Å; F25-N132 CarbonylContact O-C 3.54Å; F25-N132 WeakPolarHBondContact O-CA 3.34Å; F25-M133 PolarHBondContact O-N 2.92Å; F25-F179 HydrophobicContact CB-CE1 4.03Å; F25-F179 HydrophobicContact CB-CZ 3.71Å; F25-F179 HydrophobicContact CD2-CE1 4.36Å; F25-F179 HydrophobicContact CG-CE1 4.27Å; F25-F179 HydrophobicContact CG-CZ 4.26Å
26V98.6Very high95.5Very high0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-125.4131.5-170.1-173.50000110.9I28 L43 L57 N58 V59 L60 M133 V135V26-I28 HydrophobicContact CG1-CD1 4.28Å; V26-I28 HydrophobicContact CG1-CG1 3.83Å; V26-L43 HydrophobicContact CG1-CD2 4.12Å; V26-L43 HydrophobicContact CG2-CD2 4.31Å; V26-L57 HydrophobicContact CB-CD1 4.47Å; V26-L57 HydrophobicContact CG2-CD1 3.73Å; V26-N58 PolarHBondContact N-O 3.2Å; V26-V59 HydrophobicContact CB-CG1 4.41Å; V26-V59 HydrophobicContact CB-CG2 4.32Å; V26-V59 CarbonylContact O-C 3.6Å; V26-V59 VanDerWaalsContact O-CA 3.26Å; V26-V59 WeakPolarHBondContact O-CA 3.21Å; V26-L60 PolarHBondContact O-N 2.81Å; V26-M133 CarbonylContact C-O 3.54Å; V26-M133 VanDerWaalsContact CA-O 3.22Å; V26-M133 WeakPolarHBondContact CA-O 3.38Å; V26-M133 HydrophobicContact CG1-CB 4.21Å; V26-M133 HydrophobicContact CG1-CE 3.55Å; V26-M133 HydrophobicContact CG2-CB 4.15Å; V26-M133 HydrophobicContact CG2-CE 4.13Å; V26-V135 HydrophobicContact CG1-CG2 4.4Å
27V98.6Very high95.9Very high0 Ų018.2 Ų18.20%010%0.098CC..EExtended strand (participates in β ladder)trans-109.5128.2169.5177.20000108.7L60 M62 L111 L114 M133 L134 V135 F175V27-L60 WeakPolarHBondContact CA-O 3.29Å; V27-L60 HydrophobicContact CG2-CB 4.24Å; V27-L60 HydrophobicContact CG2-CD2 4.27Å; V27-M62 HydrophobicContact CG1-CG 4.37Å; V27-M62 HydrophobicContact CG1-SD 3.41Å; V27-M62 WeakPolarHBondContact CG1-SD 3.24Å; V27-L111 HydrophobicContact CG2-CD2 3.96Å; V27-L114 HydrophobicContact CG2-CD2 3.4Å; V27-L114 VanDerWaalsContact CG2-CD2 3.4Å; V27-M133 PolarHBondContact N-O 2.95Å; V27-L134 HydrophobicContact CB-CD1 3.63Å; V27-L134 HydrophobicContact CG1-CD1 3.63Å; V27-V135 PolarHBondContact O-N 3.39Å; V27-F175 HydrophobicContact CB-CE2 4.31Å; V27-F175 HydrophobicContact CG2-CD2 3.91Å; V27-F175 HydrophobicContact CG2-CE2 3.67Å
28I98.6Very high96.2Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-122.9112.4177.3-50175.3000109.6V26 A31 F39 A40 V59 L60 L61 M62 V135V26-I28 HydrophobicContact CG1-CD1 4.28Å; V26-I28 HydrophobicContact CG1-CG1 3.83Å; I28-A31 HydrophobicContact CB-CB 4.17Å; I28-A31 HydrophobicContact CG2-CB 3.88Å; I28-F39 HydrophobicContact CD1-CD1 4.06Å; I28-A40 HydrophobicContact CD1-CB 3.67Å; I28-V59 HydrophobicContact CD1-CG1 3.9Å; I28-V59 HydrophobicContact CG1-CG1 4.15Å; I28-L60 PolarHBondContact N-O 2.85Å; I28-L61 HydrophobicContact CB-CD2 4.34Å; I28-L61 HydrophobicContact CD1-CD2 4.28Å; I28-M62 PolarHBondContact O-N 2.81Å; I28-V135 HydrophobicContact CG1-CB 4.32Å; I28-V135 HydrophobicContact CG1-CG2 4.27Å; I28-V135 HydrophobicContact CG2-CB 4.29Å; I28-V135 HydrophobicContact CG2-CG1 4.46Å
29T97.7Very high96.5Very high1 Ų117.3 Ų17.31%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-84.7143.7175.261.20000111.6A31 M62 M99 V135 H136 N137 A138 L171T29-A31 VanDerWaalsContact C-N 3.27Å; T29-A31 PolarHBondContact O-N 3.17Å; T29-M62 CarbonylContact C-O 3.56Å; T29-M62 HydrophobicContact CG2-SD 4.39Å; T29-M99 HydrophobicContact CG2-CE 3.62Å; T29-V135 PolarHBondContact N-O 2.87Å; T29-V135 PolarHBondContact OG1-O 3.34Å; T29-H136 WeakPolarHBondContact OG1-CA 3.34Å; T29-N137 VanDerWaalsContact O-CB 3.24Å; T29-N137 WeakPolarHBondContact O-CB 3.35Å; T29-N137 PolarHBondContact O-ND2 2.68Å; T29-N137 PolarHBondContact OG1-N 2.91Å; T29-A138 PolarHBondContact O-N 3.48Å; T29-A138 PolarHBondContact OG1-N 3.13Å; T29-A138 VanDerWaalsContact OG1-N 3.15Å; T29-L171 HydrophobicContact CG2-CD2 3.44Å; T29-L171 VanDerWaalsContact CG2-CD2 3.44Å
30G96.3Very high96.8Very high16 Ų1617.2 Ų17.217%0.1659%0.092CC..THydrogen-bonded Turntrans67.228.8-17900000112.9S32 M62 N137G30-S32 PolarHBondContact O-N 3.37Å; G30-M62 PolarHBondContact N-O 2.92Å; G30-N137 PolarHBondContact O-ND2 3.4Å
31A97.5Very high97.1Very high0 Ų016.6 Ų16.60%09%0.088CC..THydrogen-bonded Turntrans-75.5-2-174.900000114.2I28 T29 R33 R37 L61 M62 L69 T72I28-A31 HydrophobicContact CB-CB 4.17Å; I28-A31 HydrophobicContact CG2-CB 3.88Å; T29-A31 VanDerWaalsContact C-N 3.27Å; T29-A31 PolarHBondContact O-N 3.17Å; A31-R33 VanDerWaalsContact C-N 3.26Å; A31-R33 PolarHBondContact O-N 2.88Å; A31-R37 WeakPolarHBondContact O-CA 3.46Å; A31-L61 HydrophobicContact CB-CB 4.11Å; A31-L61 HydrophobicContact CB-CD2 3.82Å; A31-L61 HydrophobicContact CB-CG 4.48Å; A31-M62 PolarHBondContact N-O 2.86Å; A31-L69 HydrophobicContact CB-CD2 4Å; A31-T72 WeakPolarHBondContact O-CG2 3.33Å; A31-T72 PolarHBondContact O-OG1 2.67Å
32S96.2Very high97.4Very high11 Ų1113.7 Ų13.78%0.0777%0.071CC..THydrogen-bonded Turntrans-71.6-16.9-173.860.40000114.3G30 R37 A68G30-S32 PolarHBondContact O-N 3.37Å; S32-R37 PolarHBondContact O-NE 3.28Å; S32-R37 PolarHBondContact O-NH2 2.98Å; S32-A68 WeakPolarHBondContact O-CB 3.34Å
33R96.9Very high97.7Very high125 Ų12513.6 Ų13.647%0.4727%0.07SC..SBendtrans-167.2175.2-17660.1-17072-176.7-0.9111.9A31 G36 R37 D65A31-R33 VanDerWaalsContact C-N 3.26Å; A31-R33 PolarHBondContact O-N 2.88Å; R33-G36 PolarHBondContact O-N 3.15Å; R33-R37 PolarHBondContact O-N 3.26Å; R33-D65 IonicContact NH2-OD2 3.47Å; R33-D65 PolarHBondContact NH2-OD2 3.42Å
34G97.6Very high98Very high29 Ų2913 Ų1330%0.2997%0.068SC..Hα-helixtrans56.5-138.5171.200000112.5G36 R37 A38G34-G36 VanDerWaalsContact C-N 3.34Å; G34-G36 PolarHBondContact O-N 2.9Å; G34-R37 PolarHBondContact O-N 2.91Å; G34-A38 WeakPolarHBondContact O-CB 3.23Å; G34-A38 PolarHBondContact O-N 2.92Å
35F98.5Very high98Very high9 Ų916.8 Ų16.84%0.0398%0.084CC..Hα-helixtrans-58.9-40.8-178.5-171.9-93.4000113.4R37 A38 F39 N137 I191 Y232 P234 L237 A274 C277F35-R37 PolarHBondContact O-N 3.47Å; F35-A38 PolarHBondContact O-N 2.8Å; F35-F39 HydrophobicContact CD1-CB 4.35Å; F35-F39 HydrophobicContact CE1-CB 4.04Å; F35-F39 AromaticContact CE1-CD2 3.87Å; F35-F39 HydrophobicContact CE1-CD2 3.87Å; F35-F39 HydrophobicContact CE1-CG 4.27Å; F35-F39 AromaticContact CZ-CD2 3.96Å; F35-F39 HydrophobicContact CZ-CD2 3.96Å; F35-F39 VanDerWaalsContact O-CB 3.24Å; F35-F39 WeakPolarHBondContact O-CB 3.48Å; F35-F39 PolarHBondContact O-N 3.26Å; F35-N137 WeakPolarHBondContact CD1-OD1 3.47Å; F35-I191 HydrophobicContact CD1-CD1 4.13Å; F35-I191 HydrophobicContact CD1-CG1 4.07Å; F35-I191 HydrophobicContact CD1-CG2 4.42Å; F35-I191 HydrophobicContact CE1-CD1 3.38Å; F35-I191 HydrophobicContact CE1-CG1 3.83Å; F35-I191 HydrophobicContact CZ-CD1 4.03Å; F35-Y232 AromaticContact CE2-CE1 4Å; F35-Y232 HydrophobicContact CE2-CE1 4Å; F35-Y232 HydrophobicContact CZ-CD1 4.02Å; F35-Y232 AromaticContact CZ-CE1 3.88Å; F35-Y232 HydrophobicContact CZ-CE1 3.88Å; F35-P234 HydrophobicContact CD2-CB 4.05Å; F35-P234 HydrophobicContact CE2-CB 3.91Å; F35-L237 HydrophobicContact CB-CD1 3.6Å; F35-L237 HydrophobicContact CD2-CD1 3.59Å; F35-L237 HydrophobicContact CG-CD1 3.95Å; F35-A274 HydrophobicContact CE2-CB 4.19Å; F35-A274 HydrophobicContact CZ-CB 4.49Å; F35-C277 HydrophobicContact CZ-CB 4.41Å
36G98.5Very high97.9Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-61.7-42.2-178.800000112.9R33 G34 A40 N137R33-G36 PolarHBondContact O-N 3.15Å; G34-G36 VanDerWaalsContact C-N 3.34Å; G34-G36 PolarHBondContact O-N 2.9Å; G36-A40 WeakPolarHBondContact O-CB 3.49Å; G36-A40 PolarHBondContact O-N 3.29Å; G36-A40 VanDerWaalsContact O-N 3.11Å; G36-N137 VanDerWaalsContact CA-ND2 3.35Å; G36-N137 WeakPolarHBondContact CA-ND2 3.21Å
37R98.6Very high97.9Very high53 Ų5318.3 Ų18.320%0.210%0.095CC..Hα-helixtrans-65.1-49.9173.7175.8-179.5-66.7-166.27.5111.2A31 S32 R33 G34 F35 F39 A40 V41 A68 T72 E75A31-R37 WeakPolarHBondContact O-CA 3.46Å; S32-R37 PolarHBondContact O-NE 3.28Å; S32-R37 PolarHBondContact O-NH2 2.98Å; R33-R37 PolarHBondContact O-N 3.26Å; G34-R37 PolarHBondContact O-N 2.91Å; F35-R37 PolarHBondContact O-N 3.47Å; R37-F39 VanDerWaalsContact C-N 3.31Å; R37-F39 PolarHBondContact O-N 2.94Å; R37-A40 PolarHBondContact O-N 3.14Å; R37-A40 VanDerWaalsContact O-N 3.15Å; R37-V41 WeakPolarHBondContact O-CG2 3.42Å; R37-V41 PolarHBondContact O-N 3.1Å; R37-A68 PolarHBondContact NH2-O 2.8Å; R37-T72 HydrophobicContact CB-CG2 4.2Å; R37-T72 HydrophobicContact CG-CG2 3.89Å; R37-T72 PolarHBondContact NE-OG1 3.14Å; R37-E75 WeakPolarHBondContact CD-OE2 3.47Å; R37-E75 IonicContact CZ-OE1 3.42Å; R37-E75 IonicContact NE-OE1 3.92Å; R37-E75 IonicContact NH1-OE1 3.59Å; R37-E75 PolarHBondContact NH1-OE1 3.11Å
38A98.8Very high97.8Very high2 Ų218.5 Ų18.52%0.01710%0.096CC..Hα-helixtrans-56.3-46.1179.500000112G34 F35 A40 V41 E42 P270 N271 A274G34-A38 WeakPolarHBondContact O-CB 3.23Å; G34-A38 PolarHBondContact O-N 2.92Å; F35-A38 PolarHBondContact O-N 2.8Å; A38-A40 PolarHBondContact O-N 2.92Å; A38-V41 PolarHBondContact O-N 3.13Å; A38-E42 WeakPolarHBondContact O-CB 3.4Å; A38-E42 WeakPolarHBondContact O-CG 3.29Å; A38-E42 PolarHBondContact O-N 3.2Å; A38-P270 VanDerWaalsContact CB-C 3.48Å; A38-P270 HydrophobicContact CB-CB 3.61Å; A38-N271 WeakPolarHBondContact CB-OD1 3.24Å; A38-A274 HydrophobicContact CB-CB 4.17Å
39F98.9Very high97.4Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-59.2-46.9175.5-171.6-82.6000111.6I28 F35 R37 V41 E42 L43 M133 V135 A274 C277 I278 L281I28-F39 HydrophobicContact CD1-CD1 4.06Å; F35-F39 HydrophobicContact CD1-CB 4.35Å; F35-F39 HydrophobicContact CE1-CB 4.04Å; F35-F39 AromaticContact CE1-CD2 3.87Å; F35-F39 HydrophobicContact CE1-CD2 3.87Å; F35-F39 HydrophobicContact CE1-CG 4.27Å; F35-F39 AromaticContact CZ-CD2 3.96Å; F35-F39 HydrophobicContact CZ-CD2 3.96Å; F35-F39 VanDerWaalsContact O-CB 3.24Å; F35-F39 WeakPolarHBondContact O-CB 3.48Å; F35-F39 PolarHBondContact O-N 3.26Å; R37-F39 VanDerWaalsContact C-N 3.31Å; R37-F39 PolarHBondContact O-N 2.94Å; F39-V41 VanDerWaalsContact C-N 3.34Å; F39-V41 PolarHBondContact O-N 3.13Å; F39-E42 PolarHBondContact O-N 3.11Å; F39-L43 HydrophobicContact CE1-CB 4.49Å; F39-L43 HydrophobicContact CE1-CD1 4.39Å; F39-L43 HydrophobicContact CE1-CD2 4.17Å; F39-L43 WeakPolarHBondContact O-CB 3.43Å; F39-L43 PolarHBondContact O-N 3.31Å; F39-M133 HydrophobicContact CE1-CE 3.82Å; F39-M133 HydrophobicContact CZ-CE 3.97Å; F39-M133 HydrophobicContact CZ-SD 4.44Å; F39-V135 HydrophobicContact CD1-CG1 4.5Å; F39-V135 HydrophobicContact CD1-CG2 4.39Å; F39-V135 HydrophobicContact CE1-CG1 4.42Å; F39-V135 HydrophobicContact CE1-CG2 3.71Å; F39-V135 HydrophobicContact CZ-CG2 4.1Å; F39-A274 HydrophobicContact CB-CB 4.22Å; F39-C277 HydrophobicContact CE2-CB 4.24Å; F39-I278 HydrophobicContact CD2-CD1 4.28Å; F39-I278 HydrophobicContact CD2-CG1 4.17Å; F39-I278 HydrophobicContact CE2-CD1 4.26Å; F39-I278 HydrophobicContact CE2-CG1 3.69Å; F39-I278 HydrophobicContact CZ-CG1 3.99Å; F39-L281 HydrophobicContact CE2-CD1 4.08Å; F39-L281 HydrophobicContact CZ-CD1 3.72Å
40A98.9Very high97Very high0 Ų024 Ų240%015%0.145CC..Hα-helixtrans-61.1-42.118000000112.5I28 G36 R37 A38 V44 L61 T72 M76I28-A40 HydrophobicContact CD1-CB 3.67Å; G36-A40 WeakPolarHBondContact O-CB 3.49Å; G36-A40 PolarHBondContact O-N 3.29Å; G36-A40 VanDerWaalsContact O-N 3.11Å; R37-A40 PolarHBondContact O-N 3.14Å; R37-A40 VanDerWaalsContact O-N 3.15Å; A38-A40 PolarHBondContact O-N 2.92Å; A40-V44 PolarHBondContact O-N 3.1Å; A40-L61 HydrophobicContact CB-CD2 4.22Å; A40-T72 HydrophobicContact CB-CG2 4.14Å; A40-M76 HydrophobicContact CB-CE 4.13Å; A40-M76 HydrophobicContact CB-CG 4.04Å; A40-M76 HydrophobicContact CB-SD 3.59Å; A40-M76 VanDerWaalsContact CB-SD 3.59Å
41V98.8Very high96.6Very high10 Ų1033 Ų336%0.06118%0.179CC..Hα-helixtrans-68.1-49.3177.51710000111.7R37 A38 F39 L43 V44 K45 E75 M76 S79R37-V41 WeakPolarHBondContact O-CG2 3.42Å; R37-V41 PolarHBondContact O-N 3.1Å; A38-V41 PolarHBondContact O-N 3.13Å; F39-V41 VanDerWaalsContact C-N 3.34Å; F39-V41 PolarHBondContact O-N 3.13Å; V41-L43 PolarHBondContact O-N 2.94Å; V41-V44 PolarHBondContact O-N 2.89Å; V41-K45 PolarHBondContact O-N 3.32Å; V41-E75 HydrophobicContact CG2-CB 3.76Å; V41-M76 HydrophobicContact CG2-CG 4.22Å; V41-S79 PolarHBondContact O-OG 3.25Å
42E98.5Very high96.2Very high18 Ų1834 Ų348%0.08419%0.185CC..Hα-helixtrans-66.5-28.2179.8-66.6-57.4139.800112.2A38 F39 K45 S46 N271 A274 R275 I278A38-E42 WeakPolarHBondContact O-CB 3.4Å; A38-E42 WeakPolarHBondContact O-CG 3.29Å; A38-E42 PolarHBondContact O-N 3.2Å; F39-E42 PolarHBondContact O-N 3.11Å; E42-K45 PolarHBondContact O-N 3.21Å; E42-K45 IonicContact OE1-NZ 3Å; E42-K45 PolarHBondContact OE1-NZ 2.79Å; E42-K45 WeakPolarHBondContact OE2-CD 3.49Å; E42-K45 IonicContact OE2-NZ 2.81Å; E42-S46 WeakPolarHBondContact O-CB 3.43Å; E42-S46 PolarHBondContact O-N 2.91Å; E42-N271 HydrophobicContact CG-CB 4.35Å; E42-A274 HydrophobicContact CB-CB 4.26Å; E42-A274 HydrophobicContact CG-CB 4.15Å; E42-R275 HydrophobicContact CB-CG 4.24Å; E42-R275 HydrophobicContact CG-CG 3.76Å; E42-R275 WeakPolarHBondContact OE2-CD 3.35Å; E42-R275 WeakPolarHBondContact OE2-CG 3.43Å; E42-I278 VanDerWaalsContact C-CD1 3.48Å; E42-I278 HydrophobicContact CB-CD1 3.59Å
43L98.5Very high96.1Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-64.3-46.1174.9-172.769.9000110.9V26 F39 V41 K45 S46 M47 L57 M133 I278V26-L43 HydrophobicContact CG1-CD2 4.12Å; V26-L43 HydrophobicContact CG2-CD2 4.31Å; F39-L43 HydrophobicContact CE1-CB 4.49Å; F39-L43 HydrophobicContact CE1-CD1 4.39Å; F39-L43 HydrophobicContact CE1-CD2 4.17Å; F39-L43 WeakPolarHBondContact O-CB 3.43Å; F39-L43 PolarHBondContact O-N 3.31Å; V41-L43 PolarHBondContact O-N 2.94Å; L43-K45 PolarHBondContact O-N 2.9Å; L43-S46 PolarHBondContact O-N 2.9Å; L43-M47 HydrophobicContact CD1-CG 4.12Å; L43-M47 HydrophobicContact CD1-SD 3.49Å; L43-M47 WeakPolarHBondContact CD1-SD 3.13Å; L43-M47 HydrophobicContact CD2-SD 4.16Å; L43-M47 HydrophobicContact CG-CG 4.33Å; L43-M47 HydrophobicContact CG-SD 3.56Å; L43-M47 VanDerWaalsContact CG-SD 3.56Å; L43-M47 WeakPolarHBondContact O-CB 2.93Å; L43-M47 VanDerWaalsContact O-CG 3.28Å; L43-M47 WeakPolarHBondContact O-CG 3.13Å; L43-M47 PolarHBondContact O-N 3.13Å; L43-L57 HydrophobicContact CD2-CD1 4.38Å; L43-L57 HydrophobicContact CG-CD2 4.44Å; L43-M133 HydrophobicContact CD1-CE 4.07Å; L43-M133 HydrophobicContact CD2-CE 3.89Å; L43-I278 HydrophobicContact CB-CD1 4.09Å; L43-I278 HydrophobicContact CD1-CD1 4.46Å; L43-I278 HydrophobicContact CD1-CG1 4.32Å; L43-I278 VanDerWaalsContact N-CD1 3.32Å
44V98.5Very high96Very high0 Ų028.8 Ų28.80%016%0.164CC..Hα-helixtrans-61.6-441761730000111A40 V41 S46 M47 S48 L57 M76 S79 L80 M86 L88A40-V44 PolarHBondContact O-N 3.1Å; V41-V44 PolarHBondContact O-N 2.89Å; V44-S46 VanDerWaalsContact C-N 3.34Å; V44-S46 PolarHBondContact O-N 3.33Å; V44-M47 PolarHBondContact O-N 3.15Å; V44-S48 WeakPolarHBondContact O-CB 3.12Å; V44-S48 PolarHBondContact O-N 3.48Å; V44-S48 PolarHBondContact O-OG 2.98Å; V44-L57 HydrophobicContact CG2-CD2 3.9Å; V44-M76 HydrophobicContact CG2-CB 4.08Å; V44-M76 HydrophobicContact CG2-CE 3.65Å; V44-M76 HydrophobicContact CG2-CG 4.27Å; V44-S79 WeakPolarHBondContact CB-OG 3.08Å; V44-S79 WeakPolarHBondContact CG1-OG 3.44Å; V44-L80 HydrophobicContact CG1-CB 4.32Å; V44-L80 HydrophobicContact CG1-CD1 4.06Å; V44-M86 HydrophobicContact CG1-CE 4.49Å; V44-L88 HydrophobicContact CG1-CD2 3.99Å; V44-L88 HydrophobicContact CG2-CD1 4.07Å; V44-L88 HydrophobicContact CG2-CD2 4.15Å
45K97Very high95.8Very high78 Ų7828.5 Ų28.534%0.33916%0.16SC..Hα-helixtrans-58.4-46.9176.3-66.9177-174.1170.60111.7V41 E42 L43 S49V41-K45 PolarHBondContact O-N 3.32Å; E42-K45 PolarHBondContact O-N 3.21Å; E42-K45 IonicContact OE1-NZ 3Å; E42-K45 PolarHBondContact OE1-NZ 2.79Å; E42-K45 WeakPolarHBondContact OE2-CD 3.49Å; E42-K45 IonicContact OE2-NZ 2.81Å; L43-K45 PolarHBondContact O-N 2.9Å; K45-S49 VanDerWaalsContact O-CB 3.29Å; K45-S49 WeakPolarHBondContact O-CB 3.36Å; K45-S49 PolarHBondContact O-OG 3.28Å
46S95.6Very high95.7Very high33 Ų3328.2 Ų28.223%0.23116%0.158CC..Hα-helixtrans-66.9-44.1-178.5-165.10000112.2E42 L43 V44 S49 I278E42-S46 WeakPolarHBondContact O-CB 3.43Å; E42-S46 PolarHBondContact O-N 2.91Å; L43-S46 PolarHBondContact O-N 2.9Å; V44-S46 VanDerWaalsContact C-N 3.34Å; V44-S46 PolarHBondContact O-N 3.33Å; S46-S49 PolarHBondContact O-OG 3.39Å; S46-I278 WeakPolarHBondContact OG-CG2 3.33Å
47M97Very high95.6Very high0 Ų028.2 Ų28.20%016%0.158CC..Hα-helixtrans-82.6-15.3-174.6-63.4-178.767.700114.1W19 C24 L43 V44 H53 A54 L57 M86 W131W19-M47 HydrophobicContact CB-CE 3.6Å; W19-M47 HydrophobicContact CD2-CE 4.27Å; W19-M47 HydrophobicContact CD2-CG 3.97Å; W19-M47 HydrophobicContact CD2-SD 4.45Å; W19-M47 HydrophobicContact CG-CE 3.73Å; W19-M47 HydrophobicContact CG-CG 4.02Å; W19-M47 HydrophobicContact CG-SD 4.45Å; W19-M47 HydrophobicContact CZ2-CG 4.43Å; C24-M47 HydrophobicContact CB-CE 3.63Å; C24-M47 WeakPolarHBondContact SG-CE 3.5Å; L43-M47 HydrophobicContact CD1-CG 4.12Å; L43-M47 HydrophobicContact CD1-SD 3.49Å; L43-M47 WeakPolarHBondContact CD1-SD 3.13Å; L43-M47 HydrophobicContact CD2-SD 4.16Å; L43-M47 HydrophobicContact CG-CG 4.33Å; L43-M47 HydrophobicContact CG-SD 3.56Å; L43-M47 VanDerWaalsContact CG-SD 3.56Å; L43-M47 WeakPolarHBondContact O-CB 2.93Å; L43-M47 VanDerWaalsContact O-CG 3.28Å; L43-M47 WeakPolarHBondContact O-CG 3.13Å; L43-M47 PolarHBondContact O-N 3.13Å; V44-M47 PolarHBondContact O-N 3.15Å; M47-H53 CarbonylContact O-C 3.47Å; M47-H53 WeakPolarHBondContact O-CA 3.46Å; M47-H53 VanDerWaalsContact O-CB 3.23Å; M47-H53 WeakPolarHBondContact O-CB 3.31Å; M47-A54 HydrophobicContact CB-CB 4.41Å; M47-A54 HydrophobicContact CE-CB 3.69Å; M47-A54 PolarHBondContact O-N 3.12Å; M47-L57 HydrophobicContact CB-CD2 4.35Å; M47-L57 HydrophobicContact CE-CB 4.47Å; M47-L57 HydrophobicContact CE-CD1 3.9Å; M47-L57 HydrophobicContact SD-CD1 3.85Å; M47-L57 HydrophobicContact SD-CD2 3.91Å; M47-L57 HydrophobicContact SD-CG 4.41Å; M47-M86 HydrophobicContact CB-SD 3.82Å; M47-W131 HydrophobicContact CE-CE3 4.39Å; M47-W131 HydrophobicContact CE-CZ3 4.36Å; M47-W131 HydrophobicContact SD-CZ3 4.4Å
48S96.7Very high95.6Very high4 Ų425.7 Ų25.73%0.02815%0.149CC..Hα-helixtrans-96.2-6.4177.666.90000114.3V44 S81 S84V44-S48 WeakPolarHBondContact O-CB 3.12Å; V44-S48 PolarHBondContact O-N 3.48Å; V44-S48 PolarHBondContact O-OG 2.98Å; S48-S81 WeakPolarHBondContact O-CB 3.47Å; S48-S81 PolarHBondContact O-OG 2.88Å; S48-S81 PolarHBondContact OG-N 3.04Å; S48-S81 VanDerWaalsContact OG-N 3.13Å; S48-S81 PolarHBondContact OG-OG 3.23Å; S48-S84 WeakPolarHBondContact CB-OG 3.47Å
49S91Very high95.6Very high52 Ų5225.6 Ų25.636%0.36415%0.148SC..SBendtrans-105.3146.5-169.560.10000113.5K45 S46K45-S49 VanDerWaalsContact O-CB 3.29Å; K45-S49 WeakPolarHBondContact O-CB 3.36Å; K45-S49 PolarHBondContact O-OG 3.28Å; S46-S49 PolarHBondContact O-OG 3.39Å
50G88.4Confident95.6Very high65 Ų6525.7 Ų25.767%0.6715%0.149SC*.G310 helixtrans68-167.2174.200000114.1D52 H53G50-D52 PolarHBondContact O-N 3.07Å; G50-H53 PolarHBondContact O-CD2 3.23Å; G50-H53 VanDerWaalsContact O-CD2 3.28Å
51K87.6Confident95.6Very high203 Ų20325.7 Ų25.788%0.88315%0.149SC*.G310 helixtrans-78.6-4.7179-63.6-175.9178.4-178.40113.9
52D89.4Confident95.5Very high21 Ų2125.2 Ų25.211%0.11215%0.146CC..G310 helixtrans-105.621.5-174.2-165.227.6000111S17 C20 G50 K282S17-D52 WeakPolarHBondContact CB-OD1 3.4Å; S17-D52 WeakPolarHBondContact CB-OD2 3.37Å; S17-D52 VanDerWaalsContact N-CG 3.3Å; S17-D52 PolarHBondContact N-OD1 3.46Å; S17-D52 PolarHBondContact N-OD2 3.43Å; S17-D52 PolarHBondContact OG-O 3.37Å; S17-D52 PolarHBondContact OG-OD1 3.19Å; S17-D52 PolarHBondContact OG-OD2 2.86Å; C20-D52 WeakPolarHBondContact CB-OD1 3.33Å; C20-D52 PolarHBondContact SG-OD1 3.25Å; C20-D52 VanDerWaalsContact SG-OD1 3.37Å; G50-D52 PolarHBondContact O-N 3.07Å; D52-K282 WeakPolarHBondContact OD2-CE 3.47Å; D52-K282 IonicContact OD2-NZ 2.66Å; D52-K282 PolarHBondContact OD2-NZ 2.97Å
53H93.9Very high95.3Very high27 Ų2724.9 Ų24.913%0.12515%0.146CC..  trans-69.4157-179.970.185.7000111.3N21 M47 G50 E85N21-H53 PolarHBondContact N-O 2.86Å; M47-H53 CarbonylContact O-C 3.47Å; M47-H53 WeakPolarHBondContact O-CA 3.46Å; M47-H53 VanDerWaalsContact O-CB 3.23Å; M47-H53 WeakPolarHBondContact O-CB 3.31Å; G50-H53 PolarHBondContact O-CD2 3.23Å; G50-H53 VanDerWaalsContact O-CD2 3.28Å; H53-E85 IonicContact NE2-OE2 3.68Å
54A95Very high95Very high0 Ų031.7 Ų31.70%017%0.172CC..  trans-75.1156.4170.100000111.2W19 M47 M86W19-A54 HydrophobicContact CB-CB 4.31Å; W19-A54 VanDerWaalsContact O-CA 3.25Å; W19-A54 WeakPolarHBondContact O-CA 3.43Å; M47-A54 HydrophobicContact CB-CB 4.41Å; M47-A54 HydrophobicContact CE-CB 3.69Å; M47-A54 PolarHBondContact O-N 3.12Å; A54-M86 HydrophobicContact CB-CG 4.12Å; A54-M86 HydrophobicContact CB-SD 3.86Å; A54-M86 WeakPolarHBondContact O-CA 3.49Å; A54-M86 WeakPolarHBondContact O-CB 3.49Å; A54-M86 VanDerWaalsContact O-CG 3.29Å; A54-M86 WeakPolarHBondContact O-CG 3.34Å
55A94.2Very high94.8Very high24 Ų2434.3 Ų34.320%0.19819%0.186CC..SBendtrans-73.2-44.1170.800000110.3N21 A22 K87N21-A55 WeakPolarHBondContact O-CB 3.43Å; A22-A55 PolarHBondContact O-N 3.33Å; A55-K87 PolarHBondContact O-N 3.18Å
56S95.5Very high94.7Very high2 Ų232.1 Ų32.11%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-142.5151.1168.8700000112.2A22 D23 C24 N58 K87 Y121A22-S56 PolarHBondContact O-N 3.18Å; D23-S56 WeakPolarHBondContact CA-OG 3.24Å; D23-S56 WeakPolarHBondContact CB-OG 3.38Å; D23-S56 WeakPolarHBondContact OD1-CB 3.36Å; D23-S56 PolarHBondContact OD1-OG 3.07Å; C24-S56 WeakPolarHBondContact CB-O 3.38Å; C24-S56 PolarHBondContact N-O 3.36Å; S56-N58 PolarHBondContact OG-ND2 3.3Å; S56-K87 CarbonylContact C-O 3.58Å; S56-K87 WeakPolarHBondContact CA-O 3.45Å; S56-Y121 WeakPolarHBondContact OG-CE1 3.34Å
57L97.9Very high94.7Very high0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-124.8112.5170.2174.657.1000108.5C24 V26 L43 V44 M47 V59 M86 K87 L88 T89C24-L57 HydrophobicContact CB-CD1 4.11Å; V26-L57 HydrophobicContact CB-CD1 4.47Å; V26-L57 HydrophobicContact CG2-CD1 3.73Å; L43-L57 HydrophobicContact CD2-CD1 4.38Å; L43-L57 HydrophobicContact CG-CD2 4.44Å; V44-L57 HydrophobicContact CG2-CD2 3.9Å; M47-L57 HydrophobicContact CB-CD2 4.35Å; M47-L57 HydrophobicContact CE-CB 4.47Å; M47-L57 HydrophobicContact CE-CD1 3.9Å; M47-L57 HydrophobicContact SD-CD1 3.85Å; M47-L57 HydrophobicContact SD-CD2 3.91Å; M47-L57 HydrophobicContact SD-CG 4.41Å; L57-V59 HydrophobicContact CD1-CG2 3.56Å; L57-V59 HydrophobicContact CD2-CG2 4.18Å; L57-V59 HydrophobicContact CG-CG2 3.6Å; L57-M86 HydrophobicContact CB-CE 3.83Å; L57-M86 HydrophobicContact CB-CG 4.37Å; L57-M86 HydrophobicContact CB-SD 3.56Å; L57-M86 VanDerWaalsContact CB-SD 3.56Å; L57-M86 HydrophobicContact CD2-CE 4.09Å; L57-M86 HydrophobicContact CD2-SD 4.36Å; L57-K87 PolarHBondContact N-O 3.45Å; L57-L88 HydrophobicContact CB-CD1 4.13Å; L57-L88 HydrophobicContact CD2-CD1 4.07Å; L57-L88 HydrophobicContact CG-CD1 4Å; L57-L88 WeakPolarHBondContact O-CA 3.47Å; L57-L88 WeakPolarHBondContact O-CD1 3.19Å; L57-T89 PolarHBondContact O-N 3.26Å
58N98.1Very high94.7Very high0 Ų037.5 Ų37.50%021%0.207CC..EExtended strand (participates in β ladder)trans-113.5111.1-178.6-49.4-89.1000107.7C24 F25 V26 S56 T89 L114 L117 Y121C24-N58 WeakPolarHBondContact O-CB 3.27Å; C24-N58 PolarHBondContact O-N 3.08Å; C24-N58 PolarHBondContact O-ND2 3.32Å; F25-N58 CarbonylContact C-O 3.51Å; F25-N58 WeakPolarHBondContact CA-O 3.28Å; F25-N58 HydrophobicContact CD1-CB 3.73Å; F25-N58 HydrophobicContact CE1-CB 3.87Å; V26-N58 PolarHBondContact N-O 3.2Å; S56-N58 PolarHBondContact OG-ND2 3.3Å; N58-T89 CarbonylContact C-O 3.5Å; N58-T89 VanDerWaalsContact CA-O 3.29Å; N58-T89 WeakPolarHBondContact CA-O 3.28Å; N58-L114 HydrophobicContact CB-CD1 4.26Å; N58-L117 HydrophobicContact CB-CD2 3.86Å; N58-Y121 PolarHBondContact OD1-OH 3.27Å
59V98.7Very high94.7Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-118.8129.5-170.2-170.70000111V26 I28 L57 L61 M76 T89 I90 L91V26-V59 HydrophobicContact CB-CG1 4.41Å; V26-V59 HydrophobicContact CB-CG2 4.32Å; V26-V59 CarbonylContact O-C 3.6Å; V26-V59 VanDerWaalsContact O-CA 3.26Å; V26-V59 WeakPolarHBondContact O-CA 3.21Å; I28-V59 HydrophobicContact CD1-CG1 3.9Å; I28-V59 HydrophobicContact CG1-CG1 4.15Å; L57-V59 HydrophobicContact CD1-CG2 3.56Å; L57-V59 HydrophobicContact CD2-CG2 4.18Å; L57-V59 HydrophobicContact CG-CG2 3.6Å; V59-L61 HydrophobicContact CG1-CD2 3.63Å; V59-L61 HydrophobicContact CG1-CG 4.36Å; V59-M76 HydrophobicContact CB-CE 4.08Å; V59-M76 HydrophobicContact CG1-CE 4.12Å; V59-M76 HydrophobicContact CG2-CE 3.89Å; V59-T89 PolarHBondContact N-O 2.6Å; V59-I90 CarbonylContact O-C 3.49Å; V59-I90 WeakPolarHBondContact O-CA 3.39Å; V59-L91 PolarHBondContact O-N 3.03Å
60L98.5Very high95Very high2 Ų239.6 Ų39.61%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-99.8116.8165.6176.264.4000110V26 V27 I28 M62 L91 D110 L111 L114V26-L60 PolarHBondContact O-N 2.81Å; V27-L60 WeakPolarHBondContact CA-O 3.29Å; V27-L60 HydrophobicContact CG2-CB 4.24Å; V27-L60 HydrophobicContact CG2-CD2 4.27Å; I28-L60 PolarHBondContact N-O 2.85Å; L60-M62 HydrophobicContact CD2-CG 4.15Å; L60-M62 HydrophobicContact CD2-SD 4Å; L60-M62 HydrophobicContact CG-CG 3.95Å; L60-M62 HydrophobicContact CG-SD 4.39Å; L60-L91 WeakPolarHBondContact CA-O 3.36Å; L60-L91 HydrophobicContact CD1-CB 3.87Å; L60-D110 WeakPolarHBondContact CD2-O 3.2Å; L60-L111 HydrophobicContact CD2-CD2 4.23Å; L60-L114 HydrophobicContact CB-CB 4.23Å; L60-L114 HydrophobicContact CB-CD1 4.45Å; L60-L114 HydrophobicContact CB-CD2 4.03Å; L60-L114 HydrophobicContact CB-CG 4.48Å; L60-L114 HydrophobicContact CD2-CB 4.35Å
61L98.4Very high95.5Very high0 Ų039.7 Ų39.70%019%0.194CC..EExtended strand (participates in β ladder)trans-94.6125.7175.1-52.7178.8000110.3I28 A31 A40 V59 L69 T72 E73 M76 I90 L91 V92 S93I28-L61 HydrophobicContact CB-CD2 4.34Å; I28-L61 HydrophobicContact CD1-CD2 4.28Å; A31-L61 HydrophobicContact CB-CB 4.11Å; A31-L61 HydrophobicContact CB-CD2 3.82Å; A31-L61 HydrophobicContact CB-CG 4.48Å; A40-L61 HydrophobicContact CB-CD2 4.22Å; V59-L61 HydrophobicContact CG1-CD2 3.63Å; V59-L61 HydrophobicContact CG1-CG 4.36Å; L61-L69 HydrophobicContact CB-CD2 3.94Å; L61-T72 HydrophobicContact CD1-CG2 3.99Å; L61-E73 HydrophobicContact CD1-CB 4.42Å; L61-M76 HydrophobicContact CD1-SD 3.86Å; L61-M76 HydrophobicContact CD2-SD 3.92Å; L61-M76 HydrophobicContact CG-SD 4.38Å; L61-I90 HydrophobicContact CD1-CG2 3.73Å; L61-I90 HydrophobicContact CG-CG2 4.02Å; L61-L91 PolarHBondContact N-O 3.44Å; L61-V92 HydrophobicContact CD1-CG2 4.46Å; L61-S93 PolarHBondContact O-N 2.93Å
62M96.9Very high96Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-122.7127.9-177.6-58172.776.400111V27 I28 T29 G30 A31 L60 L97 L107 D110V27-M62 HydrophobicContact CG1-CG 4.37Å; V27-M62 HydrophobicContact CG1-SD 3.41Å; V27-M62 WeakPolarHBondContact CG1-SD 3.24Å; I28-M62 PolarHBondContact O-N 2.81Å; T29-M62 CarbonylContact C-O 3.56Å; T29-M62 HydrophobicContact CG2-SD 4.39Å; G30-M62 PolarHBondContact N-O 2.92Å; A31-M62 PolarHBondContact N-O 2.86Å; L60-M62 HydrophobicContact CD2-CG 4.15Å; L60-M62 HydrophobicContact CD2-SD 4Å; L60-M62 HydrophobicContact CG-CG 3.95Å; L60-M62 HydrophobicContact CG-SD 4.39Å; M62-L97 HydrophobicContact CE-CD2 3.22Å; M62-L107 HydrophobicContact CE-CD2 4.3Å; M62-D110 HydrophobicContact CE-CB 3.96Å
63A95.1Very high96.5Very high12 Ų1230.4 Ų30.410%0.09915%0.153CC..  trans-171.6169.6169.500000110L69A63-L69 HydrophobicContact CB-CD1 4.02Å; A63-L69 HydrophobicContact CB-CD2 3.73Å; A63-L69 HydrophobicContact CB-CG 4Å
64R92.2Very high96.7Very high143 Ų14332.8 Ų32.854%0.5417%0.173SC..SBendtrans-65.1-39.1175.3-64.2179.6-65.8-174.3-1113.9V66 S96 L97 D98R64-V66 PolarHBondContact O-N 2.99Å; R64-S96 WeakPolarHBondContact O-CB 3.33Å; R64-S96 PolarHBondContact O-OG 3.02Å; R64-L97 VanDerWaalsContact CG-O 3.26Å; R64-L97 WeakPolarHBondContact CG-O 3.23Å; R64-D98 VanDerWaalsContact CD-OD1 3.29Å; R64-D98 WeakPolarHBondContact CD-OD1 3.2Å; R64-D98 HydrophobicContact CG-CB 4.25Å; R64-D98 IonicContact NH1-OD1 2.82Å
65D94.2Very high96.9Very high55 Ų5536.3 Ų36.329%0.29419%0.189SC..  trans-92.488.4-171.5-175.8-12.3000110.8R33 N67 A68 L69R33-D65 IonicContact NH2-OD2 3.47Å; R33-D65 PolarHBondContact NH2-OD2 3.42Å; D65-N67 VanDerWaalsContact C-N 3.3Å; D65-N67 PolarHBondContact O-N 3.26Å; D65-N67 PolarHBondContact OD1-N 3.47Å; D65-A68 HydrophobicContact CB-CB 4.06Å; D65-A68 PolarHBondContact O-N 3.29Å; D65-A68 WeakPolarHBondContact OD1-CB 3.26Å; D65-A68 PolarHBondContact OD1-N 3.1Å; D65-A68 VanDerWaalsContact OD2-CB 3.3Å; D65-A68 WeakPolarHBondContact OD2-CB 3.22Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.39Å
66V94.2Very high97.1Very high32 Ų3235.2 Ų35.219%0.19418%0.18CC..Hα-helixtrans-60.2-38.6-177.1-1800000111.6R64 A68 L69 R70 V92R64-V66 PolarHBondContact O-N 2.99Å; V66-A68 PolarHBondContact O-N 3.05Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 2.88Å; V66-L69 VanDerWaalsContact O-N 3.15Å; V66-R70 WeakPolarHBondContact O-CG 3.09Å; V66-R70 PolarHBondContact O-N 3.24Å; V66-V92 HydrophobicContact CG1-CG1 4.2Å
67N95.9Very high97.2Very high132 Ų13240.2 Ų40.271%0.70620%0.199SC*.Hα-helixtrans-63.4-44.1178.5-70-29.9000111.2D65 L69 R70 V71D65-N67 VanDerWaalsContact C-N 3.3Å; D65-N67 PolarHBondContact O-N 3.26Å; D65-N67 PolarHBondContact OD1-N 3.47Å; N67-L69 VanDerWaalsContact C-N 3.3Å; N67-L69 PolarHBondContact O-N 2.8Å; N67-R70 WeakPolarHBondContact O-CB 3.16Å; N67-R70 PolarHBondContact O-N 2.79Å; N67-R70 VanDerWaalsContact O-N 3.15Å; N67-V71 PolarHBondContact O-N 3.12Å; N67-V71 VanDerWaalsContact O-N 3.08Å
68A96.9Very high97.2Very high13 Ų1344.4 Ų44.411%0.10723%0.234CC..Hα-helixtrans-69.2-26.2175.600000113.3S32 R37 D65 V66 T72S32-A68 WeakPolarHBondContact O-CB 3.34Å; R37-A68 PolarHBondContact NH2-O 2.8Å; D65-A68 HydrophobicContact CB-CB 4.06Å; D65-A68 PolarHBondContact O-N 3.29Å; D65-A68 WeakPolarHBondContact OD1-CB 3.26Å; D65-A68 PolarHBondContact OD1-N 3.1Å; D65-A68 VanDerWaalsContact OD2-CB 3.3Å; D65-A68 WeakPolarHBondContact OD2-CB 3.22Å; V66-A68 PolarHBondContact O-N 3.05Å; A68-T72 PolarHBondContact O-N 3.49Å; A68-T72 VanDerWaalsContact O-N 3.12Å; A68-T72 PolarHBondContact O-OG1 2.91Å
69L97.4Very high97.2Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-66.5-40.5167.6-66.3174.1000111.8A31 L61 A63 D65 V66 N67 V71 T72 E73 V92A31-L69 HydrophobicContact CB-CD2 4Å; L61-L69 HydrophobicContact CB-CD2 3.94Å; A63-L69 HydrophobicContact CB-CD1 4.02Å; A63-L69 HydrophobicContact CB-CD2 3.73Å; A63-L69 HydrophobicContact CB-CG 4Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.39Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 2.88Å; V66-L69 VanDerWaalsContact O-N 3.15Å; N67-L69 VanDerWaalsContact C-N 3.3Å; N67-L69 PolarHBondContact O-N 2.8Å; L69-V71 VanDerWaalsContact C-N 3.3Å; L69-V71 PolarHBondContact O-N 2.76Å; L69-T72 CarbonylContact O-C 3.54Å; L69-T72 WeakPolarHBondContact O-CA 3.35Å; L69-T72 WeakPolarHBondContact O-CB 3.32Å; L69-T72 PolarHBondContact O-N 3.17Å; L69-E73 PolarHBondContact O-N 2.94Å; L69-V92 HydrophobicContact CB-CG1 3.66Å; L69-V92 HydrophobicContact CB-CG2 4.47Å; L69-V92 HydrophobicContact CD1-CG1 3.78Å; L69-V92 HydrophobicContact CG-CG1 4.38Å
70R97.7Very high97.1Very high100 Ų10048 Ų4838%0.37725%0.254SS..Hα-helixtrans-64.5-32.8175.2-64.2-61179.9-175.7-0.5113.3V66 N67 E73 S74V66-R70 WeakPolarHBondContact O-CG 3.09Å; V66-R70 PolarHBondContact O-N 3.24Å; N67-R70 WeakPolarHBondContact O-CB 3.16Å; N67-R70 PolarHBondContact O-N 2.79Å; N67-R70 VanDerWaalsContact O-N 3.15Å; R70-E73 WeakPolarHBondContact CD-OE2 3.46Å; R70-E73 IonicContact CZ-OE2 3.81Å; R70-E73 IonicContact NE-OE2 3.62Å; R70-E73 IonicContact NH1-OE1 2.85Å; R70-E73 PolarHBondContact NH1-OE1 3.46Å; R70-E73 IonicContact NH1-OE2 3.33Å; R70-E73 PolarHBondContact NH1-OE2 3.31Å; R70-S74 PolarHBondContact O-N 3.18Å; R70-S74 PolarHBondContact O-OG 3.13Å
71V98.3Very high96.8Very high68 Ų6849.8 Ų49.841%0.41227%0.267SS..Hα-helixtrans-64.2-45169.4177.20000110.3N67 L69 E73 S74 E75N67-V71 PolarHBondContact O-N 3.12Å; N67-V71 VanDerWaalsContact O-N 3.08Å; L69-V71 VanDerWaalsContact C-N 3.3Å; L69-V71 PolarHBondContact O-N 2.76Å; V71-E73 PolarHBondContact O-N 3.4Å; V71-S74 WeakPolarHBondContact O-CB 3.38Å; V71-S74 PolarHBondContact O-N 3.1Å; V71-E75 WeakPolarHBondContact CG1-OE1 3.26Å; V71-E75 WeakPolarHBondContact O-CG 3.44Å; V71-E75 PolarHBondContact O-N 2.9Å
72T98.6Very high96.3Very high0 Ų056.6 Ų56.60%031%0.308CS..Hα-helixtrans-61.8-42.8177.2-54.50000111.8A31 R37 A40 L61 A68 L69 S74 E75 M76A31-T72 WeakPolarHBondContact O-CG2 3.33Å; A31-T72 PolarHBondContact O-OG1 2.67Å; R37-T72 HydrophobicContact CB-CG2 4.2Å; R37-T72 HydrophobicContact CG-CG2 3.89Å; R37-T72 PolarHBondContact NE-OG1 3.14Å; A40-T72 HydrophobicContact CB-CG2 4.14Å; L61-T72 HydrophobicContact CD1-CG2 3.99Å; A68-T72 PolarHBondContact O-N 3.49Å; A68-T72 VanDerWaalsContact O-N 3.12Å; A68-T72 PolarHBondContact O-OG1 2.91Å; L69-T72 CarbonylContact O-C 3.54Å; L69-T72 WeakPolarHBondContact O-CA 3.35Å; L69-T72 WeakPolarHBondContact O-CB 3.32Å; L69-T72 PolarHBondContact O-N 3.17Å; T72-S74 PolarHBondContact O-N 2.61Å; T72-E75 PolarHBondContact O-N 3.01Å; T72-M76 HydrophobicContact CG2-CG 4.45Å; T72-M76 HydrophobicContact CG2-SD 4.25Å; T72-M76 WeakPolarHBondContact O-CB 3.35Å; T72-M76 VanDerWaalsContact O-CG 3.27Å; T72-M76 WeakPolarHBondContact O-CG 3.29Å; T72-M76 PolarHBondContact O-N 3.02Å
73E98.6Very high95.9Very high29 Ų2963.9 Ų63.914%0.13635%0.347CS..Hα-helixtrans-56.2-47.4172.9172.5179.9-139.700111.7L61 L69 R70 V71 M76 Y77 I90 V92L61-E73 HydrophobicContact CD1-CB 4.42Å; L69-E73 PolarHBondContact O-N 2.94Å; R70-E73 WeakPolarHBondContact CD-OE2 3.46Å; R70-E73 IonicContact CZ-OE2 3.81Å; R70-E73 IonicContact NE-OE2 3.62Å; R70-E73 IonicContact NH1-OE1 2.85Å; R70-E73 PolarHBondContact NH1-OE1 3.46Å; R70-E73 IonicContact NH1-OE2 3.33Å; R70-E73 PolarHBondContact NH1-OE2 3.31Å; V71-E73 PolarHBondContact O-N 3.4Å; E73-M76 WeakPolarHBondContact O-CB 3.25Å; E73-M76 PolarHBondContact O-N 2.96Å; E73-Y77 HydrophobicContact CG-CD2 3.94Å; E73-Y77 HydrophobicContact CG-CE2 3.67Å; E73-Y77 VanDerWaalsContact O-CD2 3.27Å; E73-Y77 WeakPolarHBondContact O-CD2 3.2Å; E73-Y77 PolarHBondContact O-N 3.45Å; E73-I90 HydrophobicContact CB-CG2 4.03Å; E73-I90 HydrophobicContact CG-CB 4.11Å; E73-I90 HydrophobicContact CG-CD1 4.22Å; E73-I90 HydrophobicContact CG-CG2 3.85Å; E73-V92 HydrophobicContact CB-CG2 4.38Å
74S98.6Very high95.7Very high77 Ų7764.6 Ų64.654%0.53835%0.352SS..Hα-helixtrans-60.8-45.2176.5-59.10000112.4R70 V71 T72 M76 Y77 A78R70-S74 PolarHBondContact O-N 3.18Å; R70-S74 PolarHBondContact O-OG 3.13Å; V71-S74 WeakPolarHBondContact O-CB 3.38Å; V71-S74 PolarHBondContact O-N 3.1Å; T72-S74 PolarHBondContact O-N 2.61Å; S74-M76 VanDerWaalsContact C-N 3.32Å; S74-M76 PolarHBondContact O-N 3.41Å; S74-Y77 PolarHBondContact O-N 2.88Å; S74-A78 WeakPolarHBondContact O-CB 3.42Å; S74-A78 PolarHBondContact O-N 2.89Å
75E98.7Very high95.7Very high74 Ų7465.4 Ų65.435%0.34636%0.362SS..Hα-helixtrans-63.3-38.1177.5-71.7179.4-147.300111.9R37 V41 V71 T72 A78 S79R37-E75 WeakPolarHBondContact CD-OE2 3.47Å; R37-E75 IonicContact CZ-OE1 3.42Å; R37-E75 IonicContact NE-OE1 3.92Å; R37-E75 IonicContact NH1-OE1 3.59Å; R37-E75 PolarHBondContact NH1-OE1 3.11Å; V41-E75 HydrophobicContact CG2-CB 3.76Å; V71-E75 WeakPolarHBondContact CG1-OE1 3.26Å; V71-E75 WeakPolarHBondContact O-CG 3.44Å; V71-E75 PolarHBondContact O-N 2.9Å; T72-E75 PolarHBondContact O-N 3.01Å; E75-A78 PolarHBondContact O-N 2.82Å; E75-S79 WeakPolarHBondContact O-CB 3.46Å; E75-S79 PolarHBondContact O-N 2.84Å; E75-S79 PolarHBondContact O-OG 3.13Å
76M98.7Very high95.7Very high0 Ų063.1 Ų63.10%035%0.349CS..Hα-helixtrans-63.5-49.1175.2-75.5175.875.700111.6A40 V41 V44 V59 L61 T72 E73 S74 A78 S79 I90A40-M76 HydrophobicContact CB-CE 4.13Å; A40-M76 HydrophobicContact CB-CG 4.04Å; A40-M76 HydrophobicContact CB-SD 3.59Å; A40-M76 VanDerWaalsContact CB-SD 3.59Å; V41-M76 HydrophobicContact CG2-CG 4.22Å; V44-M76 HydrophobicContact CG2-CB 4.08Å; V44-M76 HydrophobicContact CG2-CE 3.65Å; V44-M76 HydrophobicContact CG2-CG 4.27Å; V59-M76 HydrophobicContact CB-CE 4.08Å; V59-M76 HydrophobicContact CG1-CE 4.12Å; V59-M76 HydrophobicContact CG2-CE 3.89Å; L61-M76 HydrophobicContact CD1-SD 3.86Å; L61-M76 HydrophobicContact CD2-SD 3.92Å; L61-M76 HydrophobicContact CG-SD 4.38Å; T72-M76 HydrophobicContact CG2-CG 4.45Å; T72-M76 HydrophobicContact CG2-SD 4.25Å; T72-M76 WeakPolarHBondContact O-CB 3.35Å; T72-M76 VanDerWaalsContact O-CG 3.27Å; T72-M76 WeakPolarHBondContact O-CG 3.29Å; T72-M76 PolarHBondContact O-N 3.02Å; E73-M76 WeakPolarHBondContact O-CB 3.25Å; E73-M76 PolarHBondContact O-N 2.96Å; S74-M76 VanDerWaalsContact C-N 3.32Å; S74-M76 PolarHBondContact O-N 3.41Å; M76-A78 VanDerWaalsContact C-N 3.3Å; M76-A78 PolarHBondContact O-N 2.95Å; M76-S79 PolarHBondContact O-N 3.4Å; M76-S79 PolarHBondContact O-OG 3.43Å; M76-I90 HydrophobicContact CB-CD1 3.42Å; M76-I90 VanDerWaalsContact CB-CD1 3.42Å; M76-I90 HydrophobicContact CE-CD1 3.86Å; M76-I90 HydrophobicContact CE-CG1 4.08Å; M76-I90 HydrophobicContact CG-CD1 4.27Å; M76-I90 HydrophobicContact SD-CD1 3.86Å; M76-I90 HydrophobicContact SD-CG1 4.46Å
77Y98.2Very high95.8Very high107 Ų10767 Ų6742%0.4236%0.363SS..Hα-helixtrans-59.7-40.6175.5-78.9-63.1000112.2E73 S74 S79 L80 L88 I90E73-Y77 HydrophobicContact CG-CD2 3.94Å; E73-Y77 HydrophobicContact CG-CE2 3.67Å; E73-Y77 VanDerWaalsContact O-CD2 3.27Å; E73-Y77 WeakPolarHBondContact O-CD2 3.2Å; E73-Y77 PolarHBondContact O-N 3.45Å; S74-Y77 PolarHBondContact O-N 2.88Å; Y77-S79 PolarHBondContact O-N 3.46Å; Y77-L80 WeakPolarHBondContact O-CB 3.48Å; Y77-L80 PolarHBondContact O-N 2.99Å; Y77-L88 HydrophobicContact CD1-CD2 3.76Å; Y77-L88 HydrophobicContact CD1-CG 4.25Å; Y77-L88 HydrophobicContact CE1-CB 4.43Å; Y77-L88 HydrophobicContact CE1-CD2 4.05Å; Y77-L88 HydrophobicContact CE1-CG 4.01Å; Y77-L88 HydrophobicContact CG-CD2 4.49Å; Y77-I90 HydrophobicContact CD1-CD1 4.49Å; Y77-I90 HydrophobicContact CD2-CD1 3.93Å; Y77-I90 HydrophobicContact CE1-CD1 4.35Å; Y77-I90 HydrophobicContact CE2-CB 4.29Å; Y77-I90 HydrophobicContact CE2-CD1 3.79Å; Y77-I90 HydrophobicContact CE2-CG1 4.3Å; Y77-I90 HydrophobicContact CG-CD1 4.27Å; Y77-I90 PolarHBondContact OH-N 2.84Å
78A97.7Very high95.9Very high88 Ų8861.7 Ų61.773%0.72734%0.335SS*.Hα-helixtrans-66.9-20.317700000113.6S74 E75 M76S74-A78 WeakPolarHBondContact O-CB 3.42Å; S74-A78 PolarHBondContact O-N 2.89Å; E75-A78 PolarHBondContact O-N 2.82Å; M76-A78 VanDerWaalsContact C-N 3.3Å; M76-A78 PolarHBondContact O-N 2.95Å
79S97.3Very high96Very high17 Ų1762.6 Ų62.612%0.11934%0.339CS..THydrogen-bonded Turntrans-89.2-2.6179.975.40000114.5V41 V44 E75 M76 Y77 S81V41-S79 PolarHBondContact O-OG 3.25Å; V44-S79 WeakPolarHBondContact CB-OG 3.08Å; V44-S79 WeakPolarHBondContact CG1-OG 3.44Å; E75-S79 WeakPolarHBondContact O-CB 3.46Å; E75-S79 PolarHBondContact O-N 2.84Å; E75-S79 PolarHBondContact O-OG 3.13Å; M76-S79 PolarHBondContact O-N 3.4Å; M76-S79 PolarHBondContact O-OG 3.43Å; Y77-S79 PolarHBondContact O-N 3.46Å; S79-S81 PolarHBondContact O-N 3.21Å
80L96.5Very high96Very high59 Ų5963 Ų6331%0.30934%0.342SS..SBendtrans-62.8132.2175.4-167.773.7000110.4V44 Y77 T82 M86 L88V44-L80 HydrophobicContact CG1-CB 4.32Å; V44-L80 HydrophobicContact CG1-CD1 4.06Å; Y77-L80 WeakPolarHBondContact O-CB 3.48Å; Y77-L80 PolarHBondContact O-N 2.99Å; L80-T82 PolarHBondContact O-N 3.36Å; L80-M86 HydrophobicContact CD1-CE 3.71Å; L80-L88 HydrophobicContact CD1-CB 4.33Å; L80-L88 HydrophobicContact CD1-CD2 4.24Å
81S93Very high96Very high40 Ų4060.2 Ų60.228%0.2833%0.334SS..  trans-60.2137.5176.9-60.20000110.9S48 S79 N83 S84S48-S81 WeakPolarHBondContact O-CB 3.47Å; S48-S81 PolarHBondContact O-OG 2.88Å; S48-S81 PolarHBondContact OG-N 3.04Å; S48-S81 VanDerWaalsContact OG-N 3.13Å; S48-S81 PolarHBondContact OG-OG 3.23Å; S79-S81 PolarHBondContact O-N 3.21Å; S81-N83 PolarHBondContact O-N 2.85Å; S81-S84 WeakPolarHBondContact O-CB 3.47Å; S81-S84 PolarHBondContact O-N 3.24Å
82T88.7Confident95.9Very high142 Ų14257.7 Ų57.787%0.87132%0.319SS*.THydrogen-bonded Turntrans-53.6-32.4-171.1-500000114.6L80L80-T82 PolarHBondContact O-N 3.36Å
83N87.4Confident95.6Very high153 Ų15357.9 Ų57.982%0.81832%0.32SS*.THydrogen-bonded Turntrans-116.129.9179.8-59.2-36.8000111.8S81 E85S81-N83 PolarHBondContact O-N 2.85Å; N83-E85 PolarHBondContact O-N 3.03Å
84S90.9Very high94.9Very high27 Ų2761.6 Ų61.619%0.18934%0.344CS..  trans-67126.5179.3174.70000111.1S48 S81 M86S48-S84 WeakPolarHBondContact CB-OG 3.47Å; S81-S84 WeakPolarHBondContact O-CB 3.47Å; S81-S84 PolarHBondContact O-N 3.24Å; S84-M86 VanDerWaalsContact C-N 3.32Å; S84-M86 WeakPolarHBondContact OG-CB 3.48Å; S84-M86 PolarHBondContact OG-N 3.39Å; S84-M86 VanDerWaalsContact OG-N 3.13Å
85E91.6Very high93.7Very high161 Ų16160 Ų6075%0.75233%0.334SS*.  trans-83.1-12.5168.2-62.8-177.1-17900112.3H53 N83 K87H53-E85 IonicContact NE2-OE2 3.68Å; N83-E85 PolarHBondContact O-N 3.03Å; E85-K87 PolarHBondContact O-N 3.07Å
86M95.5Very high92.3Very high6 Ų660.3 Ų60.33%0.0334%0.344CS..  trans-64.2126.7177.5-175.6-172.575.900111V44 M47 A54 L57 L80 S84 L88V44-M86 HydrophobicContact CG1-CE 4.49Å; M47-M86 HydrophobicContact CB-SD 3.82Å; A54-M86 HydrophobicContact CB-CG 4.12Å; A54-M86 HydrophobicContact CB-SD 3.86Å; A54-M86 WeakPolarHBondContact O-CA 3.49Å; A54-M86 WeakPolarHBondContact O-CB 3.49Å; A54-M86 VanDerWaalsContact O-CG 3.29Å; A54-M86 WeakPolarHBondContact O-CG 3.34Å; L57-M86 HydrophobicContact CB-CE 3.83Å; L57-M86 HydrophobicContact CB-CG 4.37Å; L57-M86 HydrophobicContact CB-SD 3.56Å; L57-M86 VanDerWaalsContact CB-SD 3.56Å; L57-M86 HydrophobicContact CD2-CE 4.09Å; L57-M86 HydrophobicContact CD2-SD 4.36Å; L80-M86 HydrophobicContact CD1-CE 3.71Å; S84-M86 VanDerWaalsContact C-N 3.32Å; S84-M86 WeakPolarHBondContact OG-CB 3.48Å; S84-M86 PolarHBondContact OG-N 3.39Å; S84-M86 VanDerWaalsContact OG-N 3.13Å; M86-L88 HydrophobicContact CE-CB 4.4Å; M86-L88 HydrophobicContact CE-CD1 4.44Å
87K95.5Very high90.9Very high113 Ų11360.7 Ų60.749%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-75.1123.5168.3-179.9-173.6172.5-163.80110.1A55 S56 L57 E85 Y121A55-K87 PolarHBondContact O-N 3.18Å; S56-K87 CarbonylContact C-O 3.58Å; S56-K87 WeakPolarHBondContact CA-O 3.45Å; L57-K87 PolarHBondContact N-O 3.45Å; E85-K87 PolarHBondContact O-N 3.07Å; K87-Y121 PolarHBondContact NZ-OH 3.47Å; K87-Y121 VanDerWaalsContact NZ-OH 3.17Å
88L98.2Very high90.2Very high21 Ų2158 Ų5811%0.1134%0.338CS..EExtended strand (participates in β ladder)trans-104.2131.3175.8-178.458.2000110.6V44 L57 Y77 L80 M86 I90V44-L88 HydrophobicContact CG1-CD2 3.99Å; V44-L88 HydrophobicContact CG2-CD1 4.07Å; V44-L88 HydrophobicContact CG2-CD2 4.15Å; L57-L88 HydrophobicContact CB-CD1 4.13Å; L57-L88 HydrophobicContact CD2-CD1 4.07Å; L57-L88 HydrophobicContact CG-CD1 4Å; L57-L88 WeakPolarHBondContact O-CA 3.47Å; L57-L88 WeakPolarHBondContact O-CD1 3.19Å; Y77-L88 HydrophobicContact CD1-CD2 3.76Å; Y77-L88 HydrophobicContact CD1-CG 4.25Å; Y77-L88 HydrophobicContact CE1-CB 4.43Å; Y77-L88 HydrophobicContact CE1-CD2 4.05Å; Y77-L88 HydrophobicContact CE1-CG 4.01Å; Y77-L88 HydrophobicContact CG-CD2 4.49Å; L80-L88 HydrophobicContact CD1-CB 4.33Å; L80-L88 HydrophobicContact CD1-CD2 4.24Å; M86-L88 HydrophobicContact CE-CB 4.4Å; M86-L88 HydrophobicContact CE-CD1 4.44Å; L88-I90 HydrophobicContact CD1-CD1 4.4Å; L88-I90 HydrophobicContact CD1-CG1 4.04Å; L88-I90 HydrophobicContact CD2-CD1 4.18Å; L88-I90 HydrophobicContact CG-CD1 4.27Å; L88-I90 HydrophobicContact CG-CG1 4.14Å
89T98.4Very high89.6Confident32 Ų3254.5 Ų54.520%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-134.5123.1172.3-63.50000109L57 N58 V59 L91 L117L57-T89 PolarHBondContact O-N 3.26Å; N58-T89 CarbonylContact C-O 3.5Å; N58-T89 VanDerWaalsContact CA-O 3.29Å; N58-T89 WeakPolarHBondContact CA-O 3.28Å; V59-T89 PolarHBondContact N-O 2.6Å; T89-L91 HydrophobicContact CG2-CD2 4.46Å; T89-L117 HydrophobicContact CG2-CD2 3.85Å
90I98.5Very high88.9Confident10 Ų1055 Ų555%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-115.9126.1-179.3-56.7171.4000108.7V59 L61 E73 M76 Y77 L88V59-I90 CarbonylContact O-C 3.49Å; V59-I90 WeakPolarHBondContact O-CA 3.39Å; L61-I90 HydrophobicContact CD1-CG2 3.73Å; L61-I90 HydrophobicContact CG-CG2 4.02Å; E73-I90 HydrophobicContact CB-CG2 4.03Å; E73-I90 HydrophobicContact CG-CB 4.11Å; E73-I90 HydrophobicContact CG-CD1 4.22Å; E73-I90 HydrophobicContact CG-CG2 3.85Å; M76-I90 HydrophobicContact CB-CD1 3.42Å; M76-I90 VanDerWaalsContact CB-CD1 3.42Å; M76-I90 HydrophobicContact CE-CD1 3.86Å; M76-I90 HydrophobicContact CE-CG1 4.08Å; M76-I90 HydrophobicContact CG-CD1 4.27Å; M76-I90 HydrophobicContact SD-CD1 3.86Å; M76-I90 HydrophobicContact SD-CG1 4.46Å; Y77-I90 HydrophobicContact CD1-CD1 4.49Å; Y77-I90 HydrophobicContact CD2-CD1 3.93Å; Y77-I90 HydrophobicContact CE1-CD1 4.35Å; Y77-I90 HydrophobicContact CE2-CB 4.29Å; Y77-I90 HydrophobicContact CE2-CD1 3.79Å; Y77-I90 HydrophobicContact CE2-CG1 4.3Å; Y77-I90 HydrophobicContact CG-CD1 4.27Å; Y77-I90 PolarHBondContact OH-N 2.84Å; L88-I90 HydrophobicContact CD1-CD1 4.4Å; L88-I90 HydrophobicContact CD1-CG1 4.04Å; L88-I90 HydrophobicContact CD2-CD1 4.18Å; L88-I90 HydrophobicContact CG-CD1 4.27Å; L88-I90 HydrophobicContact CG-CG1 4.14Å
91L97.8Very high88.4Confident41 Ų4157.5 Ų57.522%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-108.2140.8173.3-55.6177.6000107.9V59 L60 L61 T89 P113 L114 L117V59-L91 PolarHBondContact O-N 3.03Å; L60-L91 WeakPolarHBondContact CA-O 3.36Å; L60-L91 HydrophobicContact CD1-CB 3.87Å; L61-L91 PolarHBondContact N-O 3.44Å; T89-L91 HydrophobicContact CG2-CD2 4.46Å; L91-P113 HydrophobicContact CD1-CB 4.09Å; L91-L114 HydrophobicContact CD1-CB 4.16Å; L91-L114 HydrophobicContact CD1-CD1 4.13Å; L91-L117 HydrophobicContact CD1-CD2 4.28Å
92V96.5Very high88.4Confident15 Ų1555.7 Ų55.79%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-119.8125.3177.4173.70000107.8L61 V66 L69 E73 T94L61-V92 HydrophobicContact CD1-CG2 4.46Å; V66-V92 HydrophobicContact CG1-CG1 4.2Å; L69-V92 HydrophobicContact CB-CG1 3.66Å; L69-V92 HydrophobicContact CB-CG2 4.47Å; L69-V92 HydrophobicContact CD1-CG1 3.78Å; L69-V92 HydrophobicContact CG-CG1 4.38Å; E73-V92 HydrophobicContact CB-CG2 4.38Å; V92-T94 PolarHBondContact O-N 2.94Å; V92-T94 VanDerWaalsContact O-N 3.16Å
93S92.2Very high88.7Confident4 Ų452.5 Ų52.53%0.02829%0.289CS..  trans-58.7117.1171.5-166.80000109.4L61 S95 D110L61-S93 PolarHBondContact O-N 2.93Å; S93-S95 PolarHBondContact OG-O 3.47Å; S93-D110 PolarHBondContact OG-OD1 2.93Å; S93-D110 PolarHBondContact OG-OD2 2.93Å
94T82.3Confident89.1Confident106 Ų10651.5 Ų51.565%0.6528%0.278SS*.  trans-94.4-22.6-175.954.90000112.8V92 S96V92-T94 PolarHBondContact O-N 2.94Å; V92-T94 VanDerWaalsContact O-N 3.16Å; T94-S96 PolarHBondContact O-N 2.92Å
95S74.1Confident89.3Confident45 Ų4556.9 Ų56.932%0.31530%0.3SS..SBendtrans-61.3125157.886.40000105.1S93 L97 D110S93-S95 PolarHBondContact OG-O 3.47Å; S95-L97 PolarHBondContact O-N 2.97Å; S95-D110 WeakPolarHBondContact CB-OD1 3.17Å; S95-D110 PolarHBondContact OG-OD1 3.36Å; S95-D110 PolarHBondContact OG-OD2 3.31Å
96S68.8Low89.3Confident79 Ų7951.4 Ų51.455%0.55228%0.276SS*.  trans-66.569.8172.2-70.90000108.3R64 T94 D98R64-S96 WeakPolarHBondContact O-CB 3.33Å; R64-S96 PolarHBondContact O-OG 3.02Å; T94-S96 PolarHBondContact O-N 2.92Å; S96-D98 PolarHBondContact O-N 2.68Å
97L70.8Confident89.3Confident8 Ų851.1 Ų51.14%0.04227%0.274CS..  trans-59.3102.7-165.1178.367.2000108.6M62 R64 S95 A102 L107 D110M62-L97 HydrophobicContact CE-CD2 3.22Å; R64-L97 VanDerWaalsContact CG-O 3.26Å; R64-L97 WeakPolarHBondContact CG-O 3.23Å; S95-L97 PolarHBondContact O-N 2.97Å; L97-A102 HydrophobicContact CD1-CB 3.84Å; L97-L107 HydrophobicContact CD1-CD2 4.19Å; L97-L107 HydrophobicContact CD2-CD2 3.85Å; L97-D110 WeakPolarHBondContact CB-OD2 3.44Å; L97-D110 WeakPolarHBondContact CD1-OD2 3.44Å; L97-D110 WeakPolarHBondContact CD2-OD2 3.4Å
98D82Confident89.3Confident50 Ų5048.5 Ų48.527%0.26727%0.266SS..  trans-89.8106.9172-158.1-13.9000108.2R64 S96 S100 N101 A102R64-D98 VanDerWaalsContact CD-OD1 3.29Å; R64-D98 WeakPolarHBondContact CD-OD1 3.2Å; R64-D98 HydrophobicContact CG-CB 4.25Å; R64-D98 IonicContact NH1-OD1 2.82Å; S96-D98 PolarHBondContact O-N 2.68Å; D98-S100 PolarHBondContact O-N 2.81Å; D98-S100 VanDerWaalsContact O-N 3.13Å; D98-S100 PolarHBondContact OD1-N 2.68Å; D98-S100 PolarHBondContact OD1-OG 3.34Å; D98-S100 PolarHBondContact OD2-OG 2.8Å; D98-N101 PolarHBondContact O-N 3.32Å; D98-A102 PolarHBondContact O-N 3.46Å; D98-A102 VanDerWaalsContact O-N 3.07Å
99M85.1Confident89.1Confident16 Ų1651.9 Ų51.98%0.07928%0.284CS..THydrogen-bonded Turntrans-61-19.4178.6-71.1-169.2167.300112.2T29 N101 A138 H162 T163 I167T29-M99 HydrophobicContact CG2-CE 3.62Å; M99-N101 PolarHBondContact O-N 3.32Å; M99-A138 HydrophobicContact CE-CB 3.61Å; M99-A138 HydrophobicContact SD-CB 3.43Å; M99-A138 WeakPolarHBondContact SD-CB 3.38Å; M99-H162 PolarHBondContact O-CD2 3.17Å; M99-H162 VanDerWaalsContact O-CD2 3.31Å; M99-T163 HydrophobicContact CB-CG2 3.86Å; M99-I167 HydrophobicContact CB-CG2 4.28Å; M99-I167 HydrophobicContact CE-CG2 4.35Å; M99-I167 HydrophobicContact CG-CG2 3.99Å; M99-I167 VanDerWaalsContact O-CG1 3.3Å; M99-I167 WeakPolarHBondContact O-CG1 3.38Å; M99-I167 HydrophobicContact SD-CG2 4.17Å
100S83.9Confident88.9Confident27 Ų2750.9 Ų50.919%0.18928%0.277CS..THydrogen-bonded Turntrans-67.9-18.1172.951.80000113.9D98 H162 T163D98-S100 PolarHBondContact O-N 2.81Å; D98-S100 VanDerWaalsContact O-N 3.13Å; D98-S100 PolarHBondContact OD1-N 2.68Å; D98-S100 PolarHBondContact OD1-OG 3.34Å; D98-S100 PolarHBondContact OD2-OG 2.8Å; S100-H162 PolarHBondContact O-CD2 3.27Å; S100-H162 VanDerWaalsContact O-CD2 3.27Å; S100-T163 VanDerWaalsContact CA-OG1 3.25Å; S100-T163 WeakPolarHBondContact CA-OG1 3.44Å; S100-T163 WeakPolarHBondContact CB-OG1 3.49Å; S100-T163 PolarHBondContact N-OG1 3.45Å
101N86.1Confident88.8Confident111 Ų11150.4 Ų50.459%0.59428%0.275SS*.THydrogen-bonded Turntrans-126.21.5-173.8-36.24.5000111.5D98 M99D98-N101 PolarHBondContact O-N 3.32Å; M99-N101 PolarHBondContact O-N 3.32Å
102A92.4Very high88.7Confident2 Ų250.8 Ų50.82%0.01728%0.277CS..  trans-65.2154.4-176.400000110.9L97 D98 N106 L107 H162 I167L97-A102 HydrophobicContact CD1-CB 3.84Å; D98-A102 PolarHBondContact O-N 3.46Å; D98-A102 VanDerWaalsContact O-N 3.07Å; A102-N106 WeakPolarHBondContact CA-OD1 3.41Å; A102-L107 HydrophobicContact CB-CD2 4.22Å; A102-L107 HydrophobicContact CB-CG 4.23Å; A102-H162 PolarHBondContact O-NE2 2.95Å; A102-I167 HydrophobicContact CB-CD1 3.57Å; A102-I167 HydrophobicContact CB-CG1 3.95Å; A102-I167 HydrophobicContact CB-CG2 4.36Å; A102-I167 WeakPolarHBondContact O-CD1 3.4Å
103N94.6Very high88.7Confident75 Ų7553 Ų5340%0.40129%0.292SS..  trans-150-179.1178.765.141.4000108.9E105 N106 L107N103-E105 VanDerWaalsContact C-N 3.31Å; N103-E105 PolarHBondContact O-N 3.39Å; N103-E105 WeakPolarHBondContact OD1-CB 3.41Å; N103-E105 PolarHBondContact OD1-N 3.26Å; N103-N106 PolarHBondContact N-ND2 3.45Å; N103-N106 PolarHBondContact N-OD1 3.49Å; N103-N106 PolarHBondContact O-OD1 2.74Å; N103-N106 PolarHBondContact OD1-N 3.13Å; N103-N106 PolarHBondContact OD1-ND2 3.03Å; N103-L107 WeakPolarHBondContact O-CB 3.29Å; N103-L107 VanDerWaalsContact O-CG 3.26Å; N103-L107 WeakPolarHBondContact O-CG 3.46Å; N103-L107 PolarHBondContact O-N 3.08Å; N103-L107 VanDerWaalsContact O-N 3.11Å
104K95.7Very high88.9Confident133 Ų13352.8 Ų52.858%0.57829%0.29SS*.Hα-helixtrans-59-42.9-176.7-176.5178178.6178.50112.5L108 L170 L174K104-L108 VanDerWaalsContact O-CB 3.27Å; K104-L108 WeakPolarHBondContact O-CB 3.27Å; K104-L108 PolarHBondContact O-N 3.04Å; K104-L170 HydrophobicContact CB-CD2 4.31Å; K104-L174 HydrophobicContact CG-CD2 4.19Å
105E94.7Very high89.6Confident140 Ų14048.2 Ų48.265%0.65426%0.261SS*.Hα-helixtrans-67.4-51.4-174.2-175.1-175.616600111.3N103 L108 N109N103-E105 VanDerWaalsContact C-N 3.31Å; N103-E105 PolarHBondContact O-N 3.39Å; N103-E105 WeakPolarHBondContact OD1-CB 3.41Å; N103-E105 PolarHBondContact OD1-N 3.26Å; E105-L108 PolarHBondContact O-N 3.38Å; E105-N109 VanDerWaalsContact O-CG 3.25Å; E105-N109 PolarHBondContact O-N 3.46Å; E105-N109 PolarHBondContact O-ND2 3.23Å
106N92.8Very high90.6Very high45 Ų4552.3 Ų52.324%0.24128%0.275CS..Hα-helixtrans-69.3-36.4-178.560.334.8000112.8A102 N103 L108 N109 D110A102-N106 WeakPolarHBondContact CA-OD1 3.41Å; N103-N106 PolarHBondContact N-ND2 3.45Å; N103-N106 PolarHBondContact N-OD1 3.49Å; N103-N106 PolarHBondContact O-OD1 2.74Å; N103-N106 PolarHBondContact OD1-N 3.13Å; N103-N106 PolarHBondContact OD1-ND2 3.03Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 3.37Å; N106-N109 PolarHBondContact O-N 3.32Å; N106-D110 PolarHBondContact O-N 3.05Å
107L95Very high91.8Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-62.5-42.2172.7-73.1175.4000111.8M62 L97 A102 N103 N109 D110 L111 I167 L170 L171 L174M62-L107 HydrophobicContact CE-CD2 4.3Å; L97-L107 HydrophobicContact CD1-CD2 4.19Å; L97-L107 HydrophobicContact CD2-CD2 3.85Å; A102-L107 HydrophobicContact CB-CD2 4.22Å; A102-L107 HydrophobicContact CB-CG 4.23Å; N103-L107 WeakPolarHBondContact O-CB 3.29Å; N103-L107 VanDerWaalsContact O-CG 3.26Å; N103-L107 WeakPolarHBondContact O-CG 3.46Å; N103-L107 PolarHBondContact O-N 3.08Å; N103-L107 VanDerWaalsContact O-N 3.11Å; L107-N109 VanDerWaalsContact C-N 3.34Å; L107-D110 PolarHBondContact O-N 3.15Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 3.12Å; L107-I167 HydrophobicContact CD1-CD1 4.2Å; L107-I167 HydrophobicContact CD1-CG2 4.25Å; L107-I167 HydrophobicContact CD2-CG2 4.27Å; L107-L170 HydrophobicContact CD1-CB 4.31Å; L107-L170 HydrophobicContact CD1-CD2 3.79Å; L107-L170 HydrophobicContact CD1-CG 3.86Å; L107-L171 HydrophobicContact CD1-CB 4.45Å; L107-L174 HydrophobicContact CB-CD1 3.86Å; L107-L174 HydrophobicContact CD1-CD1 4.45Å
108L94.9Very high92.9Very high59 Ų5949.9 Ų49.931%0.30926%0.256SS..Hα-helixtrans-65.3-41.1177.4-17364.1000111K104 E105 N106 D110 L111 N112 F115K104-L108 VanDerWaalsContact O-CB 3.27Å; K104-L108 WeakPolarHBondContact O-CB 3.27Å; K104-L108 PolarHBondContact O-N 3.04Å; E105-L108 PolarHBondContact O-N 3.38Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 3.37Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 3.11Å; L108-L111 PolarHBondContact O-N 2.93Å; L108-N112 WeakPolarHBondContact O-CB 3.13Å; L108-N112 PolarHBondContact O-N 3.38Å; L108-N112 PolarHBondContact O-ND2 2.94Å; L108-N112 PolarHBondContact O-OD1 2.84Å; L108-F115 HydrophobicContact CD1-CD2 4.45Å; L108-F115 HydrophobicContact CD1-CE2 4.11Å
109N94.5Very high93.3Very high91 Ų9151.3 Ų51.349%0.48727%0.27SS..Hα-helixtrans-59.1-39.5174.9-71.3-21.8000112.3E105 N106 L107 P113E105-N109 VanDerWaalsContact O-CG 3.25Å; E105-N109 PolarHBondContact O-N 3.46Å; E105-N109 PolarHBondContact O-ND2 3.23Å; N106-N109 PolarHBondContact O-N 3.32Å; L107-N109 VanDerWaalsContact C-N 3.34Å; N109-P113 VanDerWaalsContact O-CD 3.26Å; N109-P113 WeakPolarHBondContact O-CD 3.49Å
110D94.7Very high93.5Very high12 Ų1254.3 Ų54.36%0.06429%0.293CS..Hα-helixtrans-72.1-34.2176.4-70.9-18.8000113.1L60 M62 S93 S95 L97 N106 L107 L108 P113L60-D110 WeakPolarHBondContact CD2-O 3.2Å; M62-D110 HydrophobicContact CE-CB 3.96Å; S93-D110 PolarHBondContact OG-OD1 2.93Å; S93-D110 PolarHBondContact OG-OD2 2.93Å; S95-D110 WeakPolarHBondContact CB-OD1 3.17Å; S95-D110 PolarHBondContact OG-OD1 3.36Å; S95-D110 PolarHBondContact OG-OD2 3.31Å; L97-D110 WeakPolarHBondContact CB-OD2 3.44Å; L97-D110 WeakPolarHBondContact CD1-OD2 3.44Å; L97-D110 WeakPolarHBondContact CD2-OD2 3.4Å; N106-D110 PolarHBondContact O-N 3.05Å; L107-D110 PolarHBondContact O-N 3.15Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 3.11Å; D110-P113 WeakPolarHBondContact O-CD 3.3Å
111L96.2Very high93.7Very high0 Ų054.4 Ų54.40%029%0.289CS..Hα-helixtrans-75.1-32.2177.6-72.7168.2000113.1V27 L60 L107 L108 L114 F115 L171 L174V27-L111 HydrophobicContact CG2-CD2 3.96Å; L60-L111 HydrophobicContact CD2-CD2 4.23Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 2.93Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.07Å; L111-F115 HydrophobicContact CB-CD2 4.11Å; L111-F115 HydrophobicContact CB-CE1 4.32Å; L111-F115 HydrophobicContact CB-CE2 3.71Å; L111-F115 HydrophobicContact CB-CZ 3.84Å; L111-F115 HydrophobicContact CD1-CE2 4.14Å; L111-F115 HydrophobicContact CD1-CZ 3.92Å; L111-F115 HydrophobicContact CD2-CE1 4.43Å; L111-F115 HydrophobicContact CD2-CZ 4.26Å; L111-F115 HydrophobicContact CG-CE2 4.48Å; L111-F115 HydrophobicContact CG-CZ 4.24Å; L111-F115 PolarHBondContact O-N 3.06Å; L111-L171 HydrophobicContact CD1-CD1 3.79Å; L111-L171 HydrophobicContact CD2-CD1 3.93Å; L111-L171 HydrophobicContact CG-CD1 4.14Å; L111-L174 HydrophobicContact CD1-CB 3.85Å; L111-L174 HydrophobicContact CD1-CD1 4.23Å
112N96Very high92.9Very high49 Ų4953.1 Ų53.126%0.26229%0.287SS..Hα-helixtrans-53.8-41.3-172.1-84.4-22000114.5L108 L114 F115 Q116L108-N112 WeakPolarHBondContact O-CB 3.13Å; L108-N112 PolarHBondContact O-N 3.38Å; L108-N112 PolarHBondContact O-ND2 2.94Å; L108-N112 PolarHBondContact O-OD1 2.84Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.82Å; N112-F115 PolarHBondContact O-N 3.17Å; N112-Q116 WeakPolarHBondContact O-CB 3.27Å; N112-Q116 VanDerWaalsContact O-CG 3.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.25Å; N112-Q116 PolarHBondContact O-N 2.86Å
113P96.3Very high91.6Very high61 Ų6158.4 Ų58.440%0.39631%0.314SS..Hα-helixtrans-56-40.7174.1-2936.2000113.6L91 N109 D110 L117L91-P113 HydrophobicContact CD1-CB 4.09Å; N109-P113 VanDerWaalsContact O-CD 3.26Å; N109-P113 WeakPolarHBondContact O-CD 3.49Å; D110-P113 WeakPolarHBondContact O-CD 3.3Å; P113-L117 WeakPolarHBondContact O-CB 3.08Å; P113-L117 PolarHBondContact O-N 2.92Å; P113-L117 VanDerWaalsContact O-N 3.09Å
114L97Very high89.8Confident0 Ų060.8 Ų60.80%032%0.32CS..Hα-helixtrans-71.8-41.1176.8-17371.6000111.2F25 V27 N58 L60 L91 L111 N112 L117 A118F25-L114 HydrophobicContact CD1-CD1 4.04Å; F25-L114 HydrophobicContact CD1-CG 4.46Å; V27-L114 HydrophobicContact CG2-CD2 3.4Å; V27-L114 VanDerWaalsContact CG2-CD2 3.4Å; N58-L114 HydrophobicContact CB-CD1 4.26Å; L60-L114 HydrophobicContact CB-CB 4.23Å; L60-L114 HydrophobicContact CB-CD1 4.45Å; L60-L114 HydrophobicContact CB-CD2 4.03Å; L60-L114 HydrophobicContact CB-CG 4.48Å; L60-L114 HydrophobicContact CD2-CB 4.35Å; L91-L114 HydrophobicContact CD1-CB 4.16Å; L91-L114 HydrophobicContact CD1-CD1 4.13Å; L111-L114 WeakPolarHBondContact O-CB 3.45Å; L111-L114 PolarHBondContact O-N 3.07Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 2.82Å; L114-L117 WeakPolarHBondContact O-CB 3.1Å; L114-L117 PolarHBondContact O-N 2.99Å; L114-A118 WeakPolarHBondContact O-CB 3.41Å; L114-A118 PolarHBondContact O-N 2.83Å
115F95.8Very high87.9Confident10 Ų1059.6 Ų59.64%0.04433%0.329CS..Hα-helixtrans-63.2-44.5176.9-68.2-11.3000112L108 L111 N112 L117 A118 S119 F175 Y178 F179L108-F115 HydrophobicContact CD1-CD2 4.45Å; L108-F115 HydrophobicContact CD1-CE2 4.11Å; L111-F115 HydrophobicContact CB-CD2 4.11Å; L111-F115 HydrophobicContact CB-CE1 4.32Å; L111-F115 HydrophobicContact CB-CE2 3.71Å; L111-F115 HydrophobicContact CB-CZ 3.84Å; L111-F115 HydrophobicContact CD1-CE2 4.14Å; L111-F115 HydrophobicContact CD1-CZ 3.92Å; L111-F115 HydrophobicContact CD2-CE1 4.43Å; L111-F115 HydrophobicContact CD2-CZ 4.26Å; L111-F115 HydrophobicContact CG-CE2 4.48Å; L111-F115 HydrophobicContact CG-CZ 4.24Å; L111-F115 PolarHBondContact O-N 3.06Å; N112-F115 PolarHBondContact O-N 3.17Å; F115-L117 VanDerWaalsContact C-N 3.32Å; F115-L117 PolarHBondContact O-N 2.94Å; F115-A118 PolarHBondContact O-N 3.02Å; F115-S119 PolarHBondContact O-N 3.04Å; F115-S119 PolarHBondContact O-OG 3.38Å; F115-F175 HydrophobicContact CE1-CD2 4.46Å; F115-Y178 HydrophobicContact CB-CD1 4.4Å; F115-Y178 HydrophobicContact CB-CD2 4.09Å; F115-Y178 HydrophobicContact CB-CE1 3.96Å; F115-Y178 HydrophobicContact CB-CE2 3.62Å; F115-Y178 HydrophobicContact CB-CG 4.46Å; F115-Y178 AromaticContact CD1-CD1 3.41Å; F115-Y178 HydrophobicContact CD1-CD1 3.41Å; F115-Y178 VanDerWaalsContact CD1-CD1 3.41Å; F115-Y178 HydrophobicContact CD1-CD2 4.14Å; F115-Y178 AromaticContact CD1-CE1 3.68Å; F115-Y178 HydrophobicContact CD1-CE1 3.68Å; F115-Y178 HydrophobicContact CD1-CE2 4.36Å; F115-Y178 AromaticContact CD1-CG 3.67Å; F115-Y178 HydrophobicContact CD1-CG 3.67Å; F115-Y178 HydrophobicContact CD2-CD1 4.39Å; F115-Y178 AromaticContact CD2-CD2 3.62Å; F115-Y178 HydrophobicContact CD2-CD2 3.62Å; F115-Y178 HydrophobicContact CD2-CE2 4.04Å; F115-Y178 AromaticContact CD2-CG 3.83Å; F115-Y178 HydrophobicContact CD2-CG 3.83Å; F115-Y178 AromaticContact CE1-CD1 3.63Å; F115-Y178 HydrophobicContact CE1-CD1 3.63Å; F115-Y178 HydrophobicContact CE1-CD2 4.46Å; F115-Y178 HydrophobicContact CE1-CE1 4.36Å; F115-Y178 AromaticContact CE1-CG 3.7Å; F115-Y178 HydrophobicContact CE1-CG 3.7Å; F115-Y178 AromaticContact CE2-CD2 3.98Å; F115-Y178 HydrophobicContact CE2-CD2 3.98Å; F115-Y178 AromaticContact CE2-CG 3.85Å; F115-Y178 HydrophobicContact CE2-CG 3.85Å; F115-Y178 AromaticContact CG-CD1 3.83Å; F115-Y178 HydrophobicContact CG-CD1 3.83Å; F115-Y178 AromaticContact CG-CD2 3.7Å; F115-Y178 HydrophobicContact CG-CD2 3.7Å; F115-Y178 AromaticContact CG-CE1 3.9Å; F115-Y178 HydrophobicContact CG-CE1 3.9Å; F115-Y178 AromaticContact CG-CE2 3.78Å; F115-Y178 HydrophobicContact CG-CE2 3.78Å; F115-Y178 AromaticContact CG-CG 3.74Å; F115-Y178 HydrophobicContact CG-CG 3.74Å; F115-Y178 AromaticContact CG-CZ 3.88Å; F115-Y178 HydrophobicContact CZ-CD1 4.2Å; F115-Y178 HydrophobicContact CZ-CD2 4.38Å; F115-Y178 AromaticContact CZ-CG 3.78Å; F115-Y178 HydrophobicContact CZ-CG 3.78Å; F115-Y178 PolarHBondContact O-OH 3.49Å; F115-F179 HydrophobicContact CD1-CE2 4.15Å; F115-F179 HydrophobicContact CD1-CZ 4.39Å; F115-F179 HydrophobicContact CE1-CD2 4.35Å; F115-F179 AromaticContact CE1-CE2 3.75Å; F115-F179 HydrophobicContact CE1-CE2 3.75Å; F115-F179 HydrophobicContact CE1-CZ 4.43Å
116Q95.1Very high85.6Confident130 Ų13059.7 Ų59.761%0.60733%0.334SS*.Hα-helixtrans-60.2-44.4174.6-72.9172.2-0.600111N112 S119 S120N112-Q116 WeakPolarHBondContact O-CB 3.27Å; N112-Q116 VanDerWaalsContact O-CG 3.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.25Å; N112-Q116 PolarHBondContact O-N 2.86Å; Q116-S119 PolarHBondContact O-N 2.9Å; Q116-S119 PolarHBondContact O-OG 2.66Å; Q116-S120 PolarHBondContact O-N 2.76Å
117L94.7Very high83.7Confident37 Ų3765 Ų6519%0.19436%0.36CS..Hα-helixtrans-59.4-47.9174.3-177.959.9000111.1F25 N58 T89 L91 P113 L114 F115 S119 S120 Y121F25-L117 HydrophobicContact CE1-CG 4.31Å; N58-L117 HydrophobicContact CB-CD2 3.86Å; T89-L117 HydrophobicContact CG2-CD2 3.85Å; L91-L117 HydrophobicContact CD1-CD2 4.28Å; P113-L117 WeakPolarHBondContact O-CB 3.08Å; P113-L117 PolarHBondContact O-N 2.92Å; P113-L117 VanDerWaalsContact O-N 3.09Å; L114-L117 WeakPolarHBondContact O-CB 3.1Å; L114-L117 PolarHBondContact O-N 2.99Å; F115-L117 VanDerWaalsContact C-N 3.32Å; F115-L117 PolarHBondContact O-N 2.94Å; L117-S119 VanDerWaalsContact C-N 3.35Å; L117-S119 PolarHBondContact O-N 2.84Å; L117-S120 WeakPolarHBondContact O-CB 3.48Å; L117-S120 PolarHBondContact O-N 3.34Å; L117-S120 VanDerWaalsContact O-N 3.08Å; L117-S120 PolarHBondContact O-OG 2.88Å; L117-Y121 HydrophobicContact CD1-CE2 3.89Å; L117-Y121 HydrophobicContact CG-CE2 4.09Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.45Å
118A93.3Very high81.7Confident0 Ų068 Ų680%038%0.375CS..Hα-helixtrans-58.1-44.2178.300000112.7F25 L114 F115 S120 Y121 Y178 F179F25-A118 HydrophobicContact CD1-CB 3.67Å; F25-A118 HydrophobicContact CD2-CB 4.29Å; F25-A118 HydrophobicContact CE1-CB 3.61Å; F25-A118 HydrophobicContact CE2-CB 4.23Å; F25-A118 HydrophobicContact CG-CB 4.04Å; F25-A118 HydrophobicContact CZ-CB 3.91Å; L114-A118 WeakPolarHBondContact O-CB 3.41Å; L114-A118 PolarHBondContact O-N 2.83Å; F115-A118 PolarHBondContact O-N 3.02Å; A118-S120 PolarHBondContact O-N 2.81Å; A118-S120 VanDerWaalsContact O-N 3.15Å; A118-Y121 PolarHBondContact O-N 2.85Å; A118-Y121 VanDerWaalsContact O-N 3.11Å; A118-Y178 HydrophobicContact CB-CE1 4.23Å; A118-F179 HydrophobicContact CB-CE1 4.14Å; A118-F179 HydrophobicContact CB-CZ 4.34Å
119S90.8Very high80.8Confident79 Ų7969.5 Ų69.555%0.55239%0.389SS*.Hα-helixtrans-63.8-19.4177.971.70000114.3F115 Q116 L117F115-S119 PolarHBondContact O-N 3.04Å; F115-S119 PolarHBondContact O-OG 3.38Å; Q116-S119 PolarHBondContact O-N 2.9Å; Q116-S119 PolarHBondContact O-OG 2.66Å; L117-S119 VanDerWaalsContact C-N 3.35Å; L117-S119 PolarHBondContact O-N 2.84Å
120S90.1Very high80.5Confident80 Ų8065.9 Ų65.956%0.55937%0.369SS*.Hα-helixtrans-81.7-17177.478.20000113.6Q116 L117 A118Q116-S120 PolarHBondContact O-N 2.76Å; L117-S120 WeakPolarHBondContact O-CB 3.48Å; L117-S120 PolarHBondContact O-N 3.34Å; L117-S120 VanDerWaalsContact O-N 3.08Å; L117-S120 PolarHBondContact O-OG 2.88Å; A118-S120 PolarHBondContact O-N 2.81Å; A118-S120 VanDerWaalsContact O-N 3.15Å
121Y86.2Confident80.4Confident29 Ų2965.3 Ų65.311%0.11437%0.366CS..SBendtrans-80.8129.5176.4-78.2-106.3000109.6D23 F25 S56 N58 K87 L117 A118 I123D23-Y121 HydrophobicContact CB-CD1 3.97Å; D23-Y121 HydrophobicContact CB-CE1 4.29Å; D23-Y121 VanDerWaalsContact CG-CD1 3.45Å; D23-Y121 WeakPolarHBondContact OD1-CE1 3.1Å; F25-Y121 HydrophobicContact CE1-CD2 4.08Å; F25-Y121 HydrophobicContact CE1-CE2 4.11Å; F25-Y121 AromaticContact CZ-CD2 3.57Å; F25-Y121 HydrophobicContact CZ-CD2 3.57Å; F25-Y121 AromaticContact CZ-CE2 3.91Å; F25-Y121 HydrophobicContact CZ-CE2 3.91Å; F25-Y121 AromaticContact CZ-CG 3.92Å; F25-Y121 HydrophobicContact CZ-CG 3.92Å; S56-Y121 WeakPolarHBondContact OG-CE1 3.34Å; N58-Y121 PolarHBondContact OD1-OH 3.27Å; K87-Y121 PolarHBondContact NZ-OH 3.47Å; K87-Y121 VanDerWaalsContact NZ-OH 3.17Å; L117-Y121 HydrophobicContact CD1-CE2 3.89Å; L117-Y121 HydrophobicContact CG-CE2 4.09Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.45Å; A118-Y121 PolarHBondContact O-N 2.85Å; A118-Y121 VanDerWaalsContact O-N 3.11Å; Y121-I123 PolarHBondContact O-N 3.29Å
122P70.8Confident80.4Confident84 Ų8465.3 Ų65.355%0.54537%0.366SS..  trans-66.9123-179.726.7-32.6000110.2K124P122-K124 HydrophobicContact CB-CG 4.36Å; P122-K124 PolarHBondContact O-N 2.76Å
123I65.3Low80.5Confident113 Ų11363 Ų6358%0.57935%0.353SS*.  trans-71.285.6167.1-48.7172.8000107.4Y121 S125 H183Y121-I123 PolarHBondContact O-N 3.29Å; I123-S125 PolarHBondContact O-N 3.2Å; I123-H183 WeakPolarHBondContact CD1-CE1 3.35Å; I123-H183 WeakPolarHBondContact CD1-ND1 3.25Å; I123-H183 WeakPolarHBondContact CG1-CE1 3.26Å
124K55.6Low80.6Confident124 Ų12460 Ų6054%0.53934%0.335SS..  trans-75113.8174.3-73.5-174.6-178.71740108.2P122 N126P122-K124 HydrophobicContact CB-CG 4.36Å; P122-K124 PolarHBondContact O-N 2.76Å; K124-N126 PolarHBondContact O-N 2.77Å
125S56.5Low80.7Confident108 Ų10860 Ų6076%0.75534%0.335SS*.THydrogen-bonded Turntrans-52.1-21.7-17753.40000115.5I123I123-S125 PolarHBondContact O-N 3.2Å
126N47.2Very low80.8Confident142 Ų14259.6 Ų59.676%0.75933%0.333SS*.THydrogen-bonded Turntrans-128.3-2.9-165.6-71.9-10.1000117.6K124K124-N126 PolarHBondContact O-N 2.77Å
127I51.1Low81Confident156 Ų15654.7 Ų54.780%0.831%0.311SS*.THydrogen-bonded Turntrans-142.5-32.4-173.4-55.3179.4000115.9
128Q55.1Low81Confident65 Ų6553.6 Ų53.630%0.30431%0.307SS..  trans-122.3106.5-170.8-155.3167.2-3.300111N21 D23N21-Q128 WeakPolarHBondContact O-CG 3.45Å; D23-Q128 VanDerWaalsContact OD2-CD 3.31Å; D23-Q128 PolarHBondContact OD2-NE2 2.95Å; D23-Q128 VanDerWaalsContact OD2-NE2 3.1Å
129C75Confident81.1Confident90 Ų9055 Ų5561%0.60832%0.318SS*.  trans-78.2144.6179.1-64.70000109.8A22 D23A22-C129 WeakPolarHBondContact CA-O 3.22Å; A22-C129 WeakPolarHBondContact CB-O 3.42Å; D23-C129 PolarHBondContact N-O 2.92Å; D23-C129 VanDerWaalsContact N-O 3.12Å
130Q87.6Confident81.3Confident14 Ų1453.2 Ų53.27%0.06530%0.304CS..EExtended strand (participates in β ladder)trans-86153.5163.8-70.6-167.42.400109.6D23 F25 H183 P185D23-Q130 HydrophobicContact CB-CG 4.48Å; D23-Q130 VanDerWaalsContact O-CA 3.24Å; D23-Q130 WeakPolarHBondContact O-CA 3.41Å; F25-Q130 HydrophobicContact CE2-CG 4.14Å; Q130-H183 PolarHBondContact NE2-CE1 2.79Å; Q130-H183 PolarHBondContact NE2-ND1 2.86Å; Q130-H183 PolarHBondContact OE1-CD2 3.14Å; Q130-H183 PolarHBondContact OE1-ND1 2.9Å; Q130-P185 WeakPolarHBondContact O-CD 3.26Å
131W92.9Very high81.5Confident0 Ų049.8 Ų49.80%028%0.28CS..EExtended strand (participates in β ladder)trans-133.7114.7167.6-176.776.3000109.5P18 W19 A22 D23 C24 F25 M47 M133 T187P18-W131 HydrophobicContact CG-CZ2 4.08Å; W19-W131 HydrophobicContact CB-CD2 4.46Å; W19-W131 HydrophobicContact CB-CE3 4.03Å; W19-W131 HydrophobicContact CD2-CZ3 4.42Å; W19-W131 HydrophobicContact CE3-CD2 4.46Å; W19-W131 HydrophobicContact CE3-CE3 4.03Å; W19-W131 AromaticContact CE3-CH2 3.52Å; W19-W131 HydrophobicContact CE3-CH2 3.52Å; W19-W131 AromaticContact CE3-CZ2 3.98Å; W19-W131 HydrophobicContact CE3-CZ2 3.98Å; W19-W131 AromaticContact CE3-CZ3 3.54Å; W19-W131 HydrophobicContact CE3-CZ3 3.54Å; W19-W131 AromaticContact CZ3-CH2 3.73Å; W19-W131 HydrophobicContact CZ3-CH2 3.73Å; W19-W131 HydrophobicContact CZ3-CZ2 4.19Å; W19-W131 HydrophobicContact CZ3-CZ3 4.17Å; A22-W131 HydrophobicContact CB-CB 4.27Å; D23-W131 PolarHBondContact O-N 2.89Å; D23-W131 VanDerWaalsContact O-N 3.13Å; C24-W131 WeakPolarHBondContact CA-O 3.15Å; C24-W131 HydrophobicContact CB-CE3 4.41Å; F25-W131 PolarHBondContact N-O 3.2Å; F25-W131 VanDerWaalsContact N-O 3.07Å; M47-W131 HydrophobicContact CE-CE3 4.39Å; M47-W131 HydrophobicContact CE-CZ3 4.36Å; M47-W131 HydrophobicContact SD-CZ3 4.4Å; W131-M133 HydrophobicContact CH2-CB 4.33Å; W131-M133 HydrophobicContact CH2-CE 3.98Å; W131-M133 HydrophobicContact CH2-SD 3.58Å; W131-M133 VanDerWaalsContact CH2-SD 3.58Å; W131-M133 HydrophobicContact CZ2-SD 4.18Å; W131-M133 HydrophobicContact CZ3-CB 4.37Å; W131-M133 HydrophobicContact CZ3-CE 4.12Å; W131-M133 HydrophobicContact CZ3-SD 4.23Å; W131-T187 HydrophobicContact CZ2-CG2 4.39Å; W131-T187 PolarHBondContact NE1-OG1 3.37Å
132N96.3Very high81.7Confident0 Ų050 Ų500%029%0.29CS..EExtended strand (participates in β ladder)trans-109.5128.1-168.6-55.6-52.2000109.7F25 F175 F179 H183 P185 I186 T187F25-N132 WeakPolarHBondContact CD2-OD1 3.3Å; F25-N132 CarbonylContact O-C 3.54Å; F25-N132 WeakPolarHBondContact O-CA 3.34Å; N132-F175 HydrophobicContact CB-CE1 4.36Å; N132-F175 HydrophobicContact CB-CZ 4.17Å; N132-F179 HydrophobicContact CB-CB 4.33Å; N132-F179 HydrophobicContact CB-CD1 3.75Å; N132-F179 HydrophobicContact CB-CD2 4.22Å; N132-F179 HydrophobicContact CB-CE1 4.07Å; N132-F179 HydrophobicContact CB-CG 3.84Å; N132-F179 HydrophobicContact CB-CZ 4.45Å; N132-F179 VanDerWaalsContact CG-CE1 3.4Å; N132-F179 WeakPolarHBondContact ND2-CD1 3.42Å; N132-F179 WeakPolarHBondContact OD1-CD1 3.27Å; N132-F179 WeakPolarHBondContact OD1-CE1 3.34Å; N132-H183 PolarHBondContact ND2-O 2.9Å; N132-P185 PolarHBondContact N-O 3.06Å; N132-P185 VanDerWaalsContact N-O 3.1Å; N132-P185 PolarHBondContact ND2-O 3.49Å; N132-I186 HydrophobicContact CB-CG1 4.46Å; N132-I186 CarbonylContact O-C 3.48Å; N132-I186 WeakPolarHBondContact O-CA 3.44Å; N132-T187 PolarHBondContact O-N 2.88Å
133M98.3Very high82.8Confident0 Ų048.4 Ų48.40%028%0.277CS..EExtended strand (participates in β ladder)trans-132.7133.5-176.5-174.9173.662.300113.5F25 V26 V27 F39 L43 W131 V135 T187 V189 L281F25-M133 PolarHBondContact O-N 2.92Å; V26-M133 CarbonylContact C-O 3.54Å; V26-M133 VanDerWaalsContact CA-O 3.22Å; V26-M133 WeakPolarHBondContact CA-O 3.38Å; V26-M133 HydrophobicContact CG1-CB 4.21Å; V26-M133 HydrophobicContact CG1-CE 3.55Å; V26-M133 HydrophobicContact CG2-CB 4.15Å; V26-M133 HydrophobicContact CG2-CE 4.13Å; V27-M133 PolarHBondContact N-O 2.95Å; F39-M133 HydrophobicContact CE1-CE 3.82Å; F39-M133 HydrophobicContact CZ-CE 3.97Å; F39-M133 HydrophobicContact CZ-SD 4.44Å; L43-M133 HydrophobicContact CD1-CE 4.07Å; L43-M133 HydrophobicContact CD2-CE 3.89Å; W131-M133 HydrophobicContact CH2-CB 4.33Å; W131-M133 HydrophobicContact CH2-CE 3.98Å; W131-M133 HydrophobicContact CH2-SD 3.58Å; W131-M133 VanDerWaalsContact CH2-SD 3.58Å; W131-M133 HydrophobicContact CZ2-SD 4.18Å; W131-M133 HydrophobicContact CZ3-CB 4.37Å; W131-M133 HydrophobicContact CZ3-CE 4.12Å; W131-M133 HydrophobicContact CZ3-SD 4.23Å; M133-V135 HydrophobicContact CE-CG2 3.86Å; M133-V135 HydrophobicContact CG-CG2 3.99Å; M133-V135 HydrophobicContact SD-CG2 4.06Å; M133-T187 CarbonylContact C-O 3.15Å; M133-T187 WeakPolarHBondContact CA-O 3.47Å; M133-T187 HydrophobicContact CG-CG2 4.46Å; M133-V189 HydrophobicContact CG-CG2 4.26Å; M133-V189 HydrophobicContact SD-CG2 3.85Å; M133-L281 HydrophobicContact SD-CD1 3.85Å
134L98.8Very high84.2Confident0 Ų043 Ų430%025%0.25CC..EExtended strand (participates in β ladder)trans-115.1120.2170.5173.660.2000110.1V27 H136 L171 F175 T187 I188 V189V27-L134 HydrophobicContact CB-CD1 3.63Å; V27-L134 HydrophobicContact CG1-CD1 3.63Å; L134-H136 VanDerWaalsContact CD2-NE2 3.3Å; L134-H136 WeakPolarHBondContact CD2-NE2 3.19Å; L134-L171 HydrophobicContact CD1-CD2 4.1Å; L134-L171 HydrophobicContact CD1-CG 4.17Å; L134-L171 HydrophobicContact CD2-CG 4.2Å; L134-F175 HydrophobicContact CB-CD1 3.81Å; L134-F175 HydrophobicContact CB-CD2 4.21Å; L134-F175 HydrophobicContact CB-CE1 3.89Å; L134-F175 HydrophobicContact CB-CE2 4.27Å; L134-F175 HydrophobicContact CB-CG 3.98Å; L134-F175 HydrophobicContact CB-CZ 4.12Å; L134-F175 HydrophobicContact CD2-CB 3.78Å; L134-F175 HydrophobicContact CD2-CD1 4.3Å; L134-F175 HydrophobicContact CD2-CG 3.98Å; L134-F175 HydrophobicContact CG-CG 4.48Å; L134-T187 PolarHBondContact N-O 3.45Å; L134-I188 HydrophobicContact CB-CD1 3.81Å; L134-I188 HydrophobicContact CD2-CD1 4.32Å; L134-V189 PolarHBondContact O-N 3.33Å
135V98.9Very high86.1Confident0 Ų041.9 Ų41.90%025%0.246CC..EExtended strand (participates in β ladder)trans-106.4109.2179.6-1700000110.4V26 V27 I28 T29 F39 M133 N137 V189 I191V26-V135 HydrophobicContact CG1-CG2 4.4Å; V27-V135 PolarHBondContact O-N 3.39Å; I28-V135 HydrophobicContact CG1-CB 4.32Å; I28-V135 HydrophobicContact CG1-CG2 4.27Å; I28-V135 HydrophobicContact CG2-CB 4.29Å; I28-V135 HydrophobicContact CG2-CG1 4.46Å; T29-V135 PolarHBondContact N-O 2.87Å; T29-V135 PolarHBondContact OG1-O 3.34Å; F39-V135 HydrophobicContact CD1-CG1 4.5Å; F39-V135 HydrophobicContact CD1-CG2 4.39Å; F39-V135 HydrophobicContact CE1-CG1 4.42Å; F39-V135 HydrophobicContact CE1-CG2 3.71Å; F39-V135 HydrophobicContact CZ-CG2 4.1Å; M133-V135 HydrophobicContact CE-CG2 3.86Å; M133-V135 HydrophobicContact CG-CG2 3.99Å; M133-V135 HydrophobicContact SD-CG2 4.06Å; V135-N137 HydrophobicContact CG1-CB 4.35Å; V135-N137 PolarHBondContact O-N 3.41Å; V135-V189 WeakPolarHBondContact CA-O 3.26Å; V135-V189 HydrophobicContact CG1-CB 4.37Å; V135-V189 HydrophobicContact CG1-CG1 4.5Å; V135-V189 HydrophobicContact CG2-CB 4.36Å; V135-I191 HydrophobicContact CG1-CD1 4.46Å
136H98.5Very high87.9Confident1 Ų138.3 Ų38.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-88.580.7177.1-86.8-56000110.5T29 L134 P168 T172 V189 N190 I191 F217T29-H136 WeakPolarHBondContact OG1-CA 3.34Å; L134-H136 VanDerWaalsContact CD2-NE2 3.3Å; L134-H136 WeakPolarHBondContact CD2-NE2 3.19Å; H136-P168 VanDerWaalsContact CE1-CA 3.47Å; H136-P168 WeakPolarHBondContact CE1-CA 3.32Å; H136-P168 PolarHBondContact CE1-O 2.88Å; H136-P168 PolarHBondContact NE2-O 3.44Å; H136-T172 PolarHBondContact NE2-OG1 2.95Å; H136-V189 PolarHBondContact N-O 2.88Å; H136-N190 HydrophobicContact CB-CB 4.39Å; H136-I191 PolarHBondContact O-N 3.41Å; H136-F217 HydrophobicContact CB-CZ 4.31Å; H136-F217 AromaticContact CD2-CE1 3.6Å; H136-F217 AromaticContact CD2-CZ 3.29Å; H136-F217 WeakPolarHBondContact CD2-CZ 3.47Å; H136-F217 AromaticContact CG-CZ 3.84Å; H136-F217 AromaticContact NE2-CZ 3.79Å
137N98.1Very high90.2Very high27 Ų2736.4 Ų36.414%0.14421%0.206CC..  trans-107.5-27.2179.3160.383.2000113.3T29 G30 F35 G36 V135 A139 I191T29-N137 VanDerWaalsContact O-CB 3.24Å; T29-N137 WeakPolarHBondContact O-CB 3.35Å; T29-N137 PolarHBondContact O-ND2 2.68Å; T29-N137 PolarHBondContact OG1-N 2.91Å; G30-N137 PolarHBondContact O-ND2 3.4Å; F35-N137 WeakPolarHBondContact CD1-OD1 3.47Å; G36-N137 VanDerWaalsContact CA-ND2 3.35Å; G36-N137 WeakPolarHBondContact CA-ND2 3.21Å; V135-N137 HydrophobicContact CG1-CB 4.35Å; V135-N137 PolarHBondContact O-N 3.41Å; N137-A139 PolarHBondContact O-N 3.19Å; N137-I191 HydrophobicContact CB-CB 4.46Å; N137-I191 HydrophobicContact CB-CG1 3.7Å
138A95.6Very high92.3Very high14 Ų1432.8 Ų32.812%0.11620%0.195CC..  trans-59.4127.2178.400000111.8T29 M99 R213T29-A138 PolarHBondContact O-N 3.48Å; T29-A138 PolarHBondContact OG1-N 3.13Å; T29-A138 VanDerWaalsContact OG1-N 3.15Å; M99-A138 HydrophobicContact CE-CB 3.61Å; M99-A138 HydrophobicContact SD-CB 3.43Å; M99-A138 WeakPolarHBondContact SD-CB 3.38Å; A138-R213 PolarHBondContact O-NH1 3.44Å
139A94.7Very high94.2Very high29 Ų2936.8 Ų36.824%0.2421%0.208CC..  trans-160.4156.7171.600000111.4N137 N164N137-A139 PolarHBondContact O-N 3.19Å; A139-N164 WeakPolarHBondContact CA-OD1 3.29Å
140T94.6Very high95.2Very high41 Ų4135.9 Ų35.925%0.25220%0.195SC..  trans-112.2153.9168.962.20000110.8G142 T163 N164T140-G142 VanDerWaalsContact C-N 3.34Å; T140-T163 HydrophobicContact CG2-CG2 4.11Å; T140-N164 PolarHBondContact N-OD1 2.86Å; T140-N164 PolarHBondContact O-ND2 2.85Å; T140-N164 PolarHBondContact OG1-ND2 2.88Å; T140-N164 VanDerWaalsContact OG1-ND2 3.16Å
141L93.7Very high95.4Very high9 Ų937.3 Ų37.35%0.04720%0.2CC..  trans-68.4-35.5173.8-76.8171.3000112.1I144 M203 Y206 M241 E244 L245L141-I144 HydrophobicContact CB-CG2 3.91Å; L141-I144 HydrophobicContact CD1-CD1 4.37Å; L141-I144 HydrophobicContact CD2-CG2 4.47Å; L141-M203 HydrophobicContact CD2-CE 4.17Å; L141-Y206 HydrophobicContact CD2-CD2 4.16Å; L141-Y206 HydrophobicContact CD2-CE2 3.97Å; L141-M241 HydrophobicContact CD1-CG 3.63Å; L141-M241 WeakPolarHBondContact CD1-O 3.4Å; L141-M241 HydrophobicContact CD2-CG 3.68Å; L141-M241 HydrophobicContact CD2-SD 3.93Å; L141-M241 HydrophobicContact CG-CE 4.3Å; L141-M241 HydrophobicContact CG-CG 3.56Å; L141-M241 HydrophobicContact CG-SD 4.12Å; L141-E244 HydrophobicContact CD1-CB 4.03Å; L141-E244 HydrophobicContact CD1-CG 4.02Å; L141-L245 HydrophobicContact CD2-CD1 4.42Å
142G92.1Very high95.5Very high32 Ų3246 Ų4633%0.3324%0.238SC..  trans70.6-149.7-174.300000111.6T140 I144 Y160T140-G142 VanDerWaalsContact C-N 3.34Å; G142-I144 PolarHBondContact O-N 3.31Å; G142-Y160 VanDerWaalsContact CA-CD2 3.44Å
143N93.1Very high95.5Very high51 Ų5150.2 Ų50.227%0.27326%0.26SS..  trans-76.4107.2178-174.1-18.5000110.7H145 S146 R151N143-H145 PolarHBondContact OD1-N 3.24Å; N143-S146 VanDerWaalsContact ND2-CB 3.29Å; N143-S146 WeakPolarHBondContact ND2-CB 3.3Å; N143-S146 PolarHBondContact ND2-OG 3.49Å; N143-S146 PolarHBondContact OD1-N 3.48Å; N143-S146 PolarHBondContact OD1-OG 2.96Å; N143-R151 PolarHBondContact O-NH2 3.3Å
144I95.2Very high95.3Very high1 Ų155.6 Ų55.61%0.00529%0.288CS..  trans-105.39.3173.761.6167.2000113.1L141 G142 C202 M203 L245 N248 H249 G250L141-I144 HydrophobicContact CB-CG2 3.91Å; L141-I144 HydrophobicContact CD1-CD1 4.37Å; L141-I144 HydrophobicContact CD2-CG2 4.47Å; G142-I144 PolarHBondContact O-N 3.31Å; I144-C202 CarbonylContact C-O 3.44Å; I144-C202 WeakPolarHBondContact CA-O 3.24Å; I144-C202 WeakPolarHBondContact O-CB 3.45Å; I144-M203 HydrophobicContact CG2-CE 4.19Å; I144-M203 HydrophobicContact CG2-CG 4.2Å; I144-L245 HydrophobicContact CD1-CD1 4.23Å; I144-L245 HydrophobicContact CG2-CD1 4.45Å; I144-N248 HydrophobicContact CD1-CB 4.19Å; I144-H249 HydrophobicContact CD1-CB 4.34Å; I144-G250 PolarHBondContact O-N 2.72Å
145H94.6Very high95.2Very high100 Ų10061 Ų6146%0.46332%0.317SS..SBendtrans-104.3-50.2-174.1-61.3-86.7000111.8N143 C202 N248 G250N143-H145 PolarHBondContact OD1-N 3.24Å; H145-C202 PolarHBondContact O-SG 3.21Å; H145-C202 VanDerWaalsContact O-SG 3.37Å; H145-N248 PolarHBondContact CE1-O 3.26Å; H145-N248 PolarHBondContact ND1-O 3.48Å; H145-G250 WeakPolarHBondContact O-CA 3.49Å
146S94.3Very high95Very high32 Ų3263.6 Ų63.622%0.22434%0.338CS..SBendtrans-80.5146.3-172.4-52.60000111.1N143 R151 C202N143-S146 VanDerWaalsContact ND2-CB 3.29Å; N143-S146 WeakPolarHBondContact ND2-CB 3.3Å; N143-S146 PolarHBondContact ND2-OG 3.49Å; N143-S146 PolarHBondContact OD1-N 3.48Å; N143-S146 PolarHBondContact OD1-OG 2.96Å; S146-R151 PolarHBondContact O-NH1 2.73Å; S146-C202 VanDerWaalsContact O-CA 3.31Å; S146-C202 WeakPolarHBondContact O-CA 3.42Å
147K96.2Very high94.9Very high102 Ų10265.4 Ų65.444%0.44335%0.348SS..  trans-65.5164.6172.4-63.81741791730110.6Y149 E150 R151K147-Y149 HydrophobicContact CB-CD1 4.2Å; K147-Y149 HydrophobicContact CB-CE1 3.88Å; K147-Y149 HydrophobicContact CB-CE2 4.44Å; K147-Y149 HydrophobicContact CD-CE1 3.75Å; K147-Y149 HydrophobicContact CD-CE2 4.28Å; K147-Y149 VanDerWaalsContact CD-CZ 3.44Å; K147-Y149 WeakPolarHBondContact CD-OH 3.35Å; K147-Y149 HydrophobicContact CG-CE1 4.46Å; K147-Y149 PolarHBondContact NZ-OH 3.23Å; K147-Y149 VanDerWaalsContact NZ-OH 3.16Å; K147-Y149 PolarHBondContact O-N 2.95Å; K147-E150 HydrophobicContact CB-CG 4.2Å; K147-E150 WeakPolarHBondContact CB-OE2 3.44Å; K147-E150 PolarHBondContact N-OE2 2.8Å; K147-E150 PolarHBondContact O-N 3.46Å; K147-R151 PolarHBondContact O-NH1 3.49Å
148S95.5Very high94.8Very high81 Ų8168.7 Ų68.757%0.56637%0.365SS*.THydrogen-bonded Turntrans-61.7-28.5-176.252.80000113.8R151S148-R151 WeakPolarHBondContact O-CG 3.19Å
149Y95.3Very high94.8Very high149 Ų14971.5 Ų71.558%0.58438%0.381SS*.THydrogen-bonded Turntrans-89.73.4177.558.8-100.6000113.8K147K147-Y149 HydrophobicContact CB-CD1 4.2Å; K147-Y149 HydrophobicContact CB-CE1 3.88Å; K147-Y149 HydrophobicContact CB-CE2 4.44Å; K147-Y149 HydrophobicContact CD-CE1 3.75Å; K147-Y149 HydrophobicContact CD-CE2 4.28Å; K147-Y149 VanDerWaalsContact CD-CZ 3.44Å; K147-Y149 WeakPolarHBondContact CD-OH 3.35Å; K147-Y149 HydrophobicContact CG-CE1 4.46Å; K147-Y149 PolarHBondContact NZ-OH 3.23Å; K147-Y149 VanDerWaalsContact NZ-OH 3.16Å; K147-Y149 PolarHBondContact O-N 2.95Å
150E95.8Very high94.9Very high71 Ų7170.7 Ų70.733%0.33237%0.372SS..  trans-106.150.1-178.5-65.9170.1168.100110.5K147 F152K147-E150 HydrophobicContact CB-CG 4.2Å; K147-E150 WeakPolarHBondContact CB-OE2 3.44Å; K147-E150 PolarHBondContact N-OE2 2.8Å; K147-E150 PolarHBondContact O-N 3.46Å; E150-F152 HydrophobicContact CB-CE2 4.2Å
151R91.8Very high95Very high44 Ų4471 Ų7117%0.16637%0.369CS..  trans-117.684-175.1-62.3-56.2-150-107.320.1110.6N143 S146 K147 S148 L157 S204 D205N143-R151 PolarHBondContact O-NH2 3.3Å; S146-R151 PolarHBondContact O-NH1 2.73Å; K147-R151 PolarHBondContact O-NH1 3.49Å; S148-R151 WeakPolarHBondContact O-CG 3.19Å; R151-L157 HydrophobicContact CB-CD1 4.48Å; R151-S204 PolarHBondContact NH1-OG 3.48Å; R151-S204 PolarHBondContact NH2-OG 3.16Å; R151-S204 VanDerWaalsContact NH2-OG 3.17Å; R151-D205 IonicContact CZ-OD1 3.7Å; R151-D205 IonicContact CZ-OD2 2.7Å; R151-D205 VanDerWaalsContact NE-CG 3.28Å; R151-D205 IonicContact NE-OD1 3.42Å; R151-D205 PolarHBondContact NE-OD1 3.44Å; R151-D205 IonicContact NE-OD2 3.19Å; R151-D205 PolarHBondContact NE-OD2 3.23Å; R151-D205 IonicContact NH2-OD1 2.79Å; R151-D205 PolarHBondContact NH2-OD1 3.43Å; R151-D205 IonicContact NH2-OD2 3.86Å; R151-D205 PolarHBondContact NH2-OD2 3.04Å
152F94.2Very high95.2Very high182 Ų18273 Ų7380%0.79838%0.378SS*.  trans-108.1-11.4-171.9-54.2-69.7000114.8E150E150-F152 HydrophobicContact CB-CE2 4.2Å
153N95.5Very high95.3Very high89 Ų8972.1 Ų72.148%0.47637%0.366SS..  trans-104.4107.9-176.4-176.1-31.9000110.2D155 A156 L157N153-D155 PolarHBondContact OD1-N 2.97Å; N153-A156 HydrophobicContact CB-CB 4.02Å; N153-A156 PolarHBondContact OD1-N 3.09Å; N153-L157 WeakPolarHBondContact O-CG 3.4Å; N153-L157 PolarHBondContact O-N 2.76Å
154I95.8Very high95.5Very high112 Ų11269.7 Ų69.757%0.57435%0.353SS*.Hα-helixtrans-66.7-42.4-179.1-168.5167.5000112.4A156 L157 D158I154-A156 VanDerWaalsContact C-N 3.27Å; I154-A156 PolarHBondContact O-N 3.13Å; I154-L157 WeakPolarHBondContact O-CB 3.32Å; I154-L157 PolarHBondContact O-N 2.85Å; I154-D158 PolarHBondContact O-N 3Å
155D96Very high95.7Very high114 Ų11471.3 Ų71.361%0.6136%0.361SS*.Hα-helixtrans-62.1-37.4-178.9-58.9-36.4000111.5N153 T159N153-D155 PolarHBondContact OD1-N 2.97Å; D155-T159 WeakPolarHBondContact O-CB 3.27Å; D155-T159 PolarHBondContact O-N 2.83Å; D155-T159 PolarHBondContact O-OG1 3.48Å
156A94.7Very high95.8Very high55 Ų5569.6 Ų69.646%0.45536%0.358SS..Hα-helixtrans-67.2-39.3175.700000112.2N153 I154 Y160N153-A156 HydrophobicContact CB-CB 4.02Å; N153-A156 PolarHBondContact OD1-N 3.09Å; I154-A156 VanDerWaalsContact C-N 3.27Å; I154-A156 PolarHBondContact O-N 3.13Å; A156-Y160 VanDerWaalsContact O-CB 3.23Å; A156-Y160 WeakPolarHBondContact O-CB 3.49Å; A156-Y160 PolarHBondContact O-N 3.29Å; A156-Y160 VanDerWaalsContact O-N 3.1Å
157L95.9Very high95.9Very high39 Ų3968.1 Ų68.120%0.20435%0.347CS..Hα-helixtrans-66.3-48.1175.2-67.8170.9000110.6R151 N153 I154 Y160 Y161R151-L157 HydrophobicContact CB-CD1 4.48Å; N153-L157 WeakPolarHBondContact O-CG 3.4Å; N153-L157 PolarHBondContact O-N 2.76Å; I154-L157 WeakPolarHBondContact O-CB 3.32Å; I154-L157 PolarHBondContact O-N 2.85Å; L157-Y160 WeakPolarHBondContact O-CB 3.46Å; L157-Y160 PolarHBondContact O-N 3.32Å; L157-Y161 HydrophobicContact CB-CD2 4.26Å; L157-Y161 HydrophobicContact CB-CE2 4.14Å; L157-Y161 HydrophobicContact CD2-CE2 4.02Å; L157-Y161 WeakPolarHBondContact O-CD2 3.27Å; L157-Y161 PolarHBondContact O-N 2.9Å
158D96.1Very high96Very high96 Ų9663.3 Ų63.351%0.51333%0.327SS..Hα-helixtrans-61.5-48.2-179.8-74.8-8.7000110.9I154 Y160 Y161 H162I154-D158 PolarHBondContact O-N 3Å; D158-Y160 VanDerWaalsContact C-N 3.27Å; D158-Y160 PolarHBondContact O-N 3.31Å; D158-Y161 PolarHBondContact O-N 3.2Å; D158-H162 WeakPolarHBondContact O-CB 3.5Å; D158-H162 PolarHBondContact O-N 2.63Å
159T95.9Very high96.1Very high72 Ų7262 Ų6244%0.44231%0.313SS..Hα-helixtrans-56.4-42.6175.8-61.80000111.9D155 T163D155-T159 WeakPolarHBondContact O-CB 3.27Å; D155-T159 PolarHBondContact O-N 2.83Å; D155-T159 PolarHBondContact O-OG1 3.48Å; T159-T163 WeakPolarHBondContact O-CB 3.36Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 VanDerWaalsContact O-N 3.15Å; T159-T163 PolarHBondContact O-OG1 3.08Å
160Y96.4Very high96.3Very high12 Ų1257.1 Ų57.15%0.04730%0.297CS..Hα-helixtrans-67.4-52.1-179.4177.6-93.4000112G142 A156 L157 D158 H162 T163 N164 D205 Y206 S209G142-Y160 VanDerWaalsContact CA-CD2 3.44Å; A156-Y160 VanDerWaalsContact O-CB 3.23Å; A156-Y160 WeakPolarHBondContact O-CB 3.49Å; A156-Y160 PolarHBondContact O-N 3.29Å; A156-Y160 VanDerWaalsContact O-N 3.1Å; L157-Y160 WeakPolarHBondContact O-CB 3.46Å; L157-Y160 PolarHBondContact O-N 3.32Å; D158-Y160 VanDerWaalsContact C-N 3.27Å; D158-Y160 PolarHBondContact O-N 3.31Å; Y160-H162 VanDerWaalsContact C-N 3.32Å; Y160-H162 PolarHBondContact O-N 3.42Å; Y160-T163 PolarHBondContact O-N 2.83Å; Y160-N164 WeakPolarHBondContact CE2-ND2 3.16Å; Y160-N164 WeakPolarHBondContact O-CB 3.45Å; Y160-N164 PolarHBondContact O-N 3.32Å; Y160-N164 PolarHBondContact OH-ND2 3.4Å; Y160-N164 VanDerWaalsContact OH-ND2 3.14Å; Y160-D205 HydrophobicContact CD1-CB 3.68Å; Y160-D205 HydrophobicContact CE1-CB 3.4Å; Y160-D205 VanDerWaalsContact CE1-O 3.26Å; Y160-D205 WeakPolarHBondContact CE1-O 3.43Å; Y160-D205 HydrophobicContact CG-CB 4.43Å; Y160-D205 PolarHBondContact OH-O 2.86Å; Y160-Y206 WeakPolarHBondContact OH-CA 3.31Å; Y160-Y206 PolarHBondContact OH-N 3.37Å; Y160-S209 PolarHBondContact OH-OG 3.31Å; Y160-S209 VanDerWaalsContact OH-OG 3.05Å
161Y97.4Very high96.4Very high48 Ų4853.7 Ų53.719%0.18828%0.281CS..Hα-helixtrans-69.5-31.9-179.7-67.8-57.1000111.9L157 D158 L165 T166 D205 I208L157-Y161 HydrophobicContact CB-CD2 4.26Å; L157-Y161 HydrophobicContact CB-CE2 4.14Å; L157-Y161 HydrophobicContact CD2-CE2 4.02Å; L157-Y161 WeakPolarHBondContact O-CD2 3.27Å; L157-Y161 PolarHBondContact O-N 2.9Å; D158-Y161 PolarHBondContact O-N 3.2Å; Y161-L165 WeakPolarHBondContact O-CA 3.34Å; Y161-L165 VanDerWaalsContact O-CB 3.26Å; Y161-L165 WeakPolarHBondContact O-CB 3.43Å; Y161-L165 PolarHBondContact O-N 3.35Å; Y161-T166 PolarHBondContact O-N 3.17Å; Y161-D205 HydrophobicContact CE1-CB 4.39Å; Y161-D205 PolarHBondContact OH-OD1 3.38Å; Y161-I208 HydrophobicContact CE1-CB 4.21Å; Y161-I208 HydrophobicContact CE1-CG2 3.73Å; Y161-I208 WeakPolarHBondContact OH-CD1 3.27Å
162H96.5Very high96.7Very high52 Ų5251.7 Ų51.724%0.24127%0.273CS..Iπ-helixtrans-59-53.1172.7-164.971.2000110.8M99 S100 A102 D158 Y160 N164 T166 I167M99-H162 PolarHBondContact O-CD2 3.17Å; M99-H162 VanDerWaalsContact O-CD2 3.31Å; S100-H162 PolarHBondContact O-CD2 3.27Å; S100-H162 VanDerWaalsContact O-CD2 3.27Å; A102-H162 PolarHBondContact O-NE2 2.95Å; D158-H162 WeakPolarHBondContact O-CB 3.5Å; D158-H162 PolarHBondContact O-N 2.63Å; Y160-H162 VanDerWaalsContact C-N 3.32Å; Y160-H162 PolarHBondContact O-N 3.42Å; H162-N164 PolarHBondContact O-N 2.93Å; H162-T166 PolarHBondContact O-N 2.96Å; H162-I167 WeakPolarHBondContact NE2-CD1 3.36Å; H162-I167 WeakPolarHBondContact O-CB 3.43Å; H162-I167 WeakPolarHBondContact O-CG1 3.31Å; H162-I167 PolarHBondContact O-N 2.79Å
163T96Very high96.9Very high12 Ų1245.8 Ų45.87%0.07426%0.255CS..Iπ-helixtrans-58.5-51177.8-56.90000112.5M99 S100 T140 T159 Y160 P168M99-T163 HydrophobicContact CB-CG2 3.86Å; S100-T163 VanDerWaalsContact CA-OG1 3.25Å; S100-T163 WeakPolarHBondContact CA-OG1 3.44Å; S100-T163 WeakPolarHBondContact CB-OG1 3.49Å; S100-T163 PolarHBondContact N-OG1 3.45Å; T140-T163 HydrophobicContact CG2-CG2 4.11Å; T159-T163 WeakPolarHBondContact O-CB 3.36Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 VanDerWaalsContact O-N 3.15Å; T159-T163 PolarHBondContact O-OG1 3.08Å; Y160-T163 PolarHBondContact O-N 2.83Å; T163-P168 WeakPolarHBondContact O-CD 3.11Å
164N97.1Very high97Very high1 Ų142.4 Ų42.41%0.00524%0.236CC..Iπ-helixtrans-93.8-15.7-166.1-73.6-18.6000114.2A139 T140 Y160 H162 R213A139-N164 WeakPolarHBondContact CA-OD1 3.29Å; T140-N164 PolarHBondContact N-OD1 2.86Å; T140-N164 PolarHBondContact O-ND2 2.85Å; T140-N164 PolarHBondContact OG1-ND2 2.88Å; T140-N164 VanDerWaalsContact OG1-ND2 3.16Å; Y160-N164 WeakPolarHBondContact CE2-ND2 3.16Å; Y160-N164 WeakPolarHBondContact O-CB 3.45Å; Y160-N164 PolarHBondContact O-N 3.32Å; Y160-N164 PolarHBondContact OH-ND2 3.4Å; Y160-N164 VanDerWaalsContact OH-ND2 3.14Å; H162-N164 PolarHBondContact O-N 2.93Å; N164-R213 WeakPolarHBondContact O-CD 3.4Å; N164-R213 WeakPolarHBondContact O-CG 3.49Å; N164-R213 PolarHBondContact O-NE 3.49Å; N164-R213 PolarHBondContact O-NH1 3.2Å
165L97.9Very high97.1Very high34 Ų3437 Ų3718%0.17821%0.209CC..Iπ-helixtrans-128.9-58.7-175.8-179.663000112.2Y161 I167 P168 I169 A212 R213Y161-L165 WeakPolarHBondContact O-CA 3.34Å; Y161-L165 VanDerWaalsContact O-CB 3.26Å; Y161-L165 WeakPolarHBondContact O-CB 3.43Å; Y161-L165 PolarHBondContact O-N 3.35Å; L165-I167 PolarHBondContact O-N 2.89Å; L165-P168 WeakPolarHBondContact O-CD 3.37Å; L165-I169 HydrophobicContact CD1-CD1 3.82Å; L165-I169 HydrophobicContact CG-CD1 4Å; L165-I169 VanDerWaalsContact O-CG1 3.32Å; L165-I169 WeakPolarHBondContact O-CG1 3.49Å; L165-I169 PolarHBondContact O-N 3.03Å; L165-A212 HydrophobicContact CD1-CB 3.78Å; L165-A212 HydrophobicContact CD2-CB 3.85Å; L165-A212 HydrophobicContact CG-CB 4.49Å; L165-R213 HydrophobicContact CD1-CG 3.83Å
166T97.6Very high97.1Very high65 Ų6532.6 Ų32.640%0.39919%0.186SC..Iπ-helixtrans-62.6-47.7-173.2-51.40000112.3Y161 H162 I169 L170Y161-T166 PolarHBondContact O-N 3.17Å; H162-T166 PolarHBondContact O-N 2.96Å; T166-I169 WeakPolarHBondContact O-CB 3.5Å; T166-I169 PolarHBondContact O-N 3.29Å; T166-L170 PolarHBondContact O-N 2.78Å
167I96.8Very high97.1Very high0 Ų035.3 Ų35.30%019%0.193CC..Hα-helixtrans-65.8-44.7-179.6-67.2-53.5000112.9M99 A102 L107 H162 L165 I169 L170 L171M99-I167 HydrophobicContact CB-CG2 4.28Å; M99-I167 HydrophobicContact CE-CG2 4.35Å; M99-I167 HydrophobicContact CG-CG2 3.99Å; M99-I167 VanDerWaalsContact O-CG1 3.3Å; M99-I167 WeakPolarHBondContact O-CG1 3.38Å; M99-I167 HydrophobicContact SD-CG2 4.17Å; A102-I167 HydrophobicContact CB-CD1 3.57Å; A102-I167 HydrophobicContact CB-CG1 3.95Å; A102-I167 HydrophobicContact CB-CG2 4.36Å; A102-I167 WeakPolarHBondContact O-CD1 3.4Å; L107-I167 HydrophobicContact CD1-CD1 4.2Å; L107-I167 HydrophobicContact CD1-CG2 4.25Å; L107-I167 HydrophobicContact CD2-CG2 4.27Å; H162-I167 WeakPolarHBondContact NE2-CD1 3.36Å; H162-I167 WeakPolarHBondContact O-CB 3.43Å; H162-I167 WeakPolarHBondContact O-CG1 3.31Å; H162-I167 PolarHBondContact O-N 2.79Å; L165-I167 PolarHBondContact O-N 2.89Å; I167-I169 VanDerWaalsContact C-N 3.28Å; I167-I169 PolarHBondContact O-N 2.79Å; I167-L170 PolarHBondContact O-N 2.85Å; I167-L171 WeakPolarHBondContact O-CB 3.39Å; I167-L171 PolarHBondContact O-N 2.89Å
168P98Very high97.1Very high2 Ų235.4 Ų35.41%0.01319%0.191CC..Hα-helixtrans-53.3-41.8170.7-31.636000114.2H136 T163 L165 T172 R213H136-P168 VanDerWaalsContact CE1-CA 3.47Å; H136-P168 WeakPolarHBondContact CE1-CA 3.32Å; H136-P168 PolarHBondContact CE1-O 2.88Å; H136-P168 PolarHBondContact NE2-O 3.44Å; T163-P168 WeakPolarHBondContact O-CD 3.11Å; L165-P168 WeakPolarHBondContact O-CD 3.37Å; P168-T172 WeakPolarHBondContact O-CB 3.17Å; P168-T172 PolarHBondContact O-N 2.94Å; P168-T172 PolarHBondContact O-OG1 3.12Å; P168-T172 VanDerWaalsContact O-OG1 3.09Å; P168-R213 VanDerWaalsContact CG-CZ 3.42Å
169I98.5Very high96.9Very high53 Ų5330.8 Ų30.827%0.27217%0.166SC..Hα-helixtrans-63.5-50.4177.1-68.9166.1000110.9L165 T166 I167 T172 S173 Y216L165-I169 HydrophobicContact CD1-CD1 3.82Å; L165-I169 HydrophobicContact CG-CD1 4Å; L165-I169 VanDerWaalsContact O-CG1 3.32Å; L165-I169 WeakPolarHBondContact O-CG1 3.49Å; L165-I169 PolarHBondContact O-N 3.03Å; T166-I169 WeakPolarHBondContact O-CB 3.5Å; T166-I169 PolarHBondContact O-N 3.29Å; I167-I169 VanDerWaalsContact C-N 3.28Å; I167-I169 PolarHBondContact O-N 2.79Å; I169-T172 PolarHBondContact O-N 3.02Å; I169-S173 PolarHBondContact O-N 3.14Å; I169-S173 PolarHBondContact O-OG 3.11Å; I169-Y216 HydrophobicContact CB-CE1 4.25Å; I169-Y216 HydrophobicContact CB-CE2 4.36Å; I169-Y216 HydrophobicContact CD1-CD2 4.38Å; I169-Y216 HydrophobicContact CD1-CG 4.36Å; I169-Y216 HydrophobicContact CG1-CD1 3.76Å; I169-Y216 HydrophobicContact CG1-CD2 3.96Å; I169-Y216 HydrophobicContact CG1-CE1 3.78Å; I169-Y216 HydrophobicContact CG1-CE2 4Å; I169-Y216 HydrophobicContact CG1-CG 3.83Å; I169-Y216 HydrophobicContact CG2-CD2 4.47Å; I169-Y216 HydrophobicContact CG2-CE2 3.82Å; I169-Y216 PolarHBondContact O-OH 2.98Å
170L98.1Very high96.5Very high46 Ų4629.8 Ų29.824%0.24116%0.16CC..Hα-helixtrans-63.2-44.6-179.5179.357.1000111.8K104 L107 T166 I167 T172 S173 L174K104-L170 HydrophobicContact CB-CD2 4.31Å; L107-L170 HydrophobicContact CD1-CB 4.31Å; L107-L170 HydrophobicContact CD1-CD2 3.79Å; L107-L170 HydrophobicContact CD1-CG 3.86Å; T166-L170 PolarHBondContact O-N 2.78Å; I167-L170 PolarHBondContact O-N 2.85Å; L170-T172 PolarHBondContact O-N 3.11Å; L170-S173 WeakPolarHBondContact O-CB 3.48Å; L170-S173 PolarHBondContact O-N 3.3Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L170-L174 HydrophobicContact CD1-CD1 4.47Å; L170-L174 HydrophobicContact CD1-CG 4.38Å; L170-L174 HydrophobicContact CG-CD1 4.38Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.49Å
171L97.7Very high95.6Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-61.8-42.4177.217758.4000111.6T29 L107 L111 L134 I167 S173 L174 F175T29-L171 HydrophobicContact CG2-CD2 3.44Å; T29-L171 VanDerWaalsContact CG2-CD2 3.44Å; L107-L171 HydrophobicContact CD1-CB 4.45Å; L111-L171 HydrophobicContact CD1-CD1 3.79Å; L111-L171 HydrophobicContact CD2-CD1 3.93Å; L111-L171 HydrophobicContact CG-CD1 4.14Å; L134-L171 HydrophobicContact CD1-CD2 4.1Å; L134-L171 HydrophobicContact CD1-CG 4.17Å; L134-L171 HydrophobicContact CD2-CG 4.2Å; I167-L171 WeakPolarHBondContact O-CB 3.39Å; I167-L171 PolarHBondContact O-N 2.89Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.73Å; L171-L174 PolarHBondContact O-N 3.15Å; L171-F175 WeakPolarHBondContact O-CB 3.48Å; L171-F175 PolarHBondContact O-N 3.38Å
172T98.4Very high94.3Very high1 Ų137.5 Ų37.51%0.00620%0.201CC..Hα-helixtrans-58.8-45.8171.7-68.70000111.3H136 P168 I169 L170 L174 F175 V176 Y216 L220H136-T172 PolarHBondContact NE2-OG1 2.95Å; P168-T172 WeakPolarHBondContact O-CB 3.17Å; P168-T172 PolarHBondContact O-N 2.94Å; P168-T172 PolarHBondContact O-OG1 3.12Å; P168-T172 VanDerWaalsContact O-OG1 3.09Å; I169-T172 PolarHBondContact O-N 3.02Å; L170-T172 PolarHBondContact O-N 3.11Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-L174 PolarHBondContact O-N 3.2Å; T172-F175 PolarHBondContact O-N 3.41Å; T172-V176 HydrophobicContact CG2-CG2 3.88Å; T172-V176 VanDerWaalsContact O-CB 3.3Å; T172-V176 WeakPolarHBondContact O-CB 3.47Å; T172-V176 VanDerWaalsContact O-CG2 3.26Å; T172-V176 WeakPolarHBondContact O-CG2 3.41Å; T172-V176 PolarHBondContact O-N 3.28Å; T172-Y216 HydrophobicContact CG2-CE1 4.32Å; T172-Y216 WeakPolarHBondContact CG2-OH 3.21Å; T172-L220 HydrophobicContact CG2-CD1 3.72Å; T172-L220 HydrophobicContact CG2-CD2 4.26Å
173S97.9Very high93.4Very high59 Ų5935.8 Ų35.841%0.41319%0.193SC..Hα-helixtrans-59.5-46.8-178.3-56.40000111.1I169 L170 L171 D177I169-S173 PolarHBondContact O-N 3.14Å; I169-S173 PolarHBondContact O-OG 3.11Å; L170-S173 WeakPolarHBondContact O-CB 3.48Å; L170-S173 PolarHBondContact O-N 3.3Å; L170-S173 VanDerWaalsContact O-N 3.13Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.73Å; S173-D177 WeakPolarHBondContact O-CB 3.44Å; S173-D177 PolarHBondContact O-N 3.03Å
174L97.6Very high92.7Very high17 Ų1738.3 Ų38.39%0.08920%0.204CC..Hα-helixtrans-64.8-42.4178.3-65.4174.4000112.8K104 L107 L111 L170 L171 T172 Y178K104-L174 HydrophobicContact CG-CD2 4.19Å; L107-L174 HydrophobicContact CB-CD1 3.86Å; L107-L174 HydrophobicContact CD1-CD1 4.45Å; L111-L174 HydrophobicContact CD1-CB 3.85Å; L111-L174 HydrophobicContact CD1-CD1 4.23Å; L170-L174 HydrophobicContact CD1-CD1 4.47Å; L170-L174 HydrophobicContact CD1-CG 4.38Å; L170-L174 HydrophobicContact CG-CD1 4.38Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.49Å; L171-L174 PolarHBondContact O-N 3.15Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-L174 PolarHBondContact O-N 3.2Å; L174-Y178 PolarHBondContact O-N 2.78Å
175F97.7Very high92.4Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-67.4-46.4179.3-173.7-88.2000112V27 F115 N132 L134 L171 T172 Y178 F179 I186 I188V27-F175 HydrophobicContact CB-CE2 4.31Å; V27-F175 HydrophobicContact CG2-CD2 3.91Å; V27-F175 HydrophobicContact CG2-CE2 3.67Å; F115-F175 HydrophobicContact CE1-CD2 4.46Å; N132-F175 HydrophobicContact CB-CE1 4.36Å; N132-F175 HydrophobicContact CB-CZ 4.17Å; L134-F175 HydrophobicContact CB-CD1 3.81Å; L134-F175 HydrophobicContact CB-CD2 4.21Å; L134-F175 HydrophobicContact CB-CE1 3.89Å; L134-F175 HydrophobicContact CB-CE2 4.27Å; L134-F175 HydrophobicContact CB-CG 3.98Å; L134-F175 HydrophobicContact CB-CZ 4.12Å; L134-F175 HydrophobicContact CD2-CB 3.78Å; L134-F175 HydrophobicContact CD2-CD1 4.3Å; L134-F175 HydrophobicContact CD2-CG 3.98Å; L134-F175 HydrophobicContact CG-CG 4.48Å; L171-F175 WeakPolarHBondContact O-CB 3.48Å; L171-F175 PolarHBondContact O-N 3.38Å; T172-F175 PolarHBondContact O-N 3.41Å; F175-Y178 PolarHBondContact O-N 3.06Å; F175-F179 AromaticContact CD1-CD2 3.92Å; F175-F179 HydrophobicContact CD1-CD2 3.92Å; F175-F179 AromaticContact CD2-CD2 3.94Å; F175-F179 HydrophobicContact CD2-CD2 3.94Å; F175-F179 AromaticContact CD2-CE2 3.78Å; F175-F179 HydrophobicContact CD2-CE2 3.78Å; F175-F179 AromaticContact CE1-CD2 3.63Å; F175-F179 HydrophobicContact CE1-CD2 3.63Å; F175-F179 HydrophobicContact CE1-CE2 4.1Å; F175-F179 HydrophobicContact CE1-CG 4.46Å; F175-F179 AromaticContact CE2-CD2 3.66Å; F175-F179 HydrophobicContact CE2-CD2 3.66Å; F175-F179 AromaticContact CE2-CE2 3.28Å; F175-F179 HydrophobicContact CE2-CE2 3.28Å; F175-F179 HydrophobicContact CE2-CZ 4.33Å; F175-F179 HydrophobicContact CG-CD2 4.07Å; F175-F179 HydrophobicContact CG-CE2 4.38Å; F175-F179 AromaticContact CZ-CD2 3.49Å; F175-F179 HydrophobicContact CZ-CD2 3.49Å; F175-F179 VanDerWaalsContact CZ-CD2 3.49Å; F175-F179 AromaticContact CZ-CE2 3.45Å; F175-F179 HydrophobicContact CZ-CE2 3.45Å; F175-F179 VanDerWaalsContact CZ-CE2 3.45Å; F175-F179 HydrophobicContact CZ-CG 4.48Å; F175-F179 HydrophobicContact CZ-CZ 4.41Å; F175-F179 WeakPolarHBondContact O-CD2 3.05Å; F175-F179 PolarHBondContact O-N 2.68Å; F175-I186 HydrophobicContact CD1-CG2 4.32Å; F175-I186 HydrophobicContact CE1-CG2 3.99Å; F175-I188 HydrophobicContact CD1-CD1 4.22Å
176V96.6Very high92.3Very high21 Ų2137.4 Ų37.413%0.12720%0.2CC..Hα-helixtrans-66.4-41.8179.7171.20000110.7T172 Y178 T180 I188 L227T172-V176 HydrophobicContact CG2-CG2 3.88Å; T172-V176 VanDerWaalsContact O-CB 3.3Å; T172-V176 WeakPolarHBondContact O-CB 3.47Å; T172-V176 VanDerWaalsContact O-CG2 3.26Å; T172-V176 WeakPolarHBondContact O-CG2 3.41Å; T172-V176 PolarHBondContact O-N 3.28Å; V176-Y178 VanDerWaalsContact C-N 3.34Å; V176-Y178 PolarHBondContact O-N 3.41Å; V176-T180 WeakPolarHBondContact CG1-OG1 3.3Å; V176-T180 WeakPolarHBondContact O-CA 3.36Å; V176-T180 WeakPolarHBondContact O-CB 3.29Å; V176-T180 PolarHBondContact O-N 3.37Å; V176-T180 PolarHBondContact O-OG1 3.38Å; V176-I188 HydrophobicContact CG2-CD1 4.12Å; V176-L227 HydrophobicContact CG1-CD1 4.14Å; V176-L227 HydrophobicContact CG1-CD2 4.23Å; V176-L227 HydrophobicContact CG2-CD1 4.25Å; V176-L227 HydrophobicContact CG2-CD2 4.36Å
177D95.7Very high92.3Very high112 Ų11234.3 Ų34.360%0.59918%0.181SC*.Hα-helixtrans-58.2-45.9177.2-176.759.6000111.7S173 S181S173-D177 WeakPolarHBondContact O-CB 3.44Å; S173-D177 PolarHBondContact O-N 3.03Å; D177-S181 WeakPolarHBondContact O-CB 3.48Å; D177-S181 PolarHBondContact O-N 3.01Å; D177-S181 PolarHBondContact O-OG 3.02Å
178Y94.7Very high92.4Very high40 Ų4034.3 Ų34.316%0.15718%0.181CC..Hα-helixtrans-63.3-58.3177.2-173.6-94000111.7F115 A118 L174 F175 V176 T180 S181 Y182F115-Y178 HydrophobicContact CB-CD1 4.4Å; F115-Y178 HydrophobicContact CB-CD2 4.09Å; F115-Y178 HydrophobicContact CB-CE1 3.96Å; F115-Y178 HydrophobicContact CB-CE2 3.62Å; F115-Y178 HydrophobicContact CB-CG 4.46Å; F115-Y178 AromaticContact CD1-CD1 3.41Å; F115-Y178 HydrophobicContact CD1-CD1 3.41Å; F115-Y178 VanDerWaalsContact CD1-CD1 3.41Å; F115-Y178 HydrophobicContact CD1-CD2 4.14Å; F115-Y178 AromaticContact CD1-CE1 3.68Å; F115-Y178 HydrophobicContact CD1-CE1 3.68Å; F115-Y178 HydrophobicContact CD1-CE2 4.36Å; F115-Y178 AromaticContact CD1-CG 3.67Å; F115-Y178 HydrophobicContact CD1-CG 3.67Å; F115-Y178 HydrophobicContact CD2-CD1 4.39Å; F115-Y178 AromaticContact CD2-CD2 3.62Å; F115-Y178 HydrophobicContact CD2-CD2 3.62Å; F115-Y178 HydrophobicContact CD2-CE2 4.04Å; F115-Y178 AromaticContact CD2-CG 3.83Å; F115-Y178 HydrophobicContact CD2-CG 3.83Å; F115-Y178 AromaticContact CE1-CD1 3.63Å; F115-Y178 HydrophobicContact CE1-CD1 3.63Å; F115-Y178 HydrophobicContact CE1-CD2 4.46Å; F115-Y178 HydrophobicContact CE1-CE1 4.36Å; F115-Y178 AromaticContact CE1-CG 3.7Å; F115-Y178 HydrophobicContact CE1-CG 3.7Å; F115-Y178 AromaticContact CE2-CD2 3.98Å; F115-Y178 HydrophobicContact CE2-CD2 3.98Å; F115-Y178 AromaticContact CE2-CG 3.85Å; F115-Y178 HydrophobicContact CE2-CG 3.85Å; F115-Y178 AromaticContact CG-CD1 3.83Å; F115-Y178 HydrophobicContact CG-CD1 3.83Å; F115-Y178 AromaticContact CG-CD2 3.7Å; F115-Y178 HydrophobicContact CG-CD2 3.7Å; F115-Y178 AromaticContact CG-CE1 3.9Å; F115-Y178 HydrophobicContact CG-CE1 3.9Å; F115-Y178 AromaticContact CG-CE2 3.78Å; F115-Y178 HydrophobicContact CG-CE2 3.78Å; F115-Y178 AromaticContact CG-CG 3.74Å; F115-Y178 HydrophobicContact CG-CG 3.74Å; F115-Y178 AromaticContact CG-CZ 3.88Å; F115-Y178 HydrophobicContact CZ-CD1 4.2Å; F115-Y178 HydrophobicContact CZ-CD2 4.38Å; F115-Y178 AromaticContact CZ-CG 3.78Å; F115-Y178 HydrophobicContact CZ-CG 3.78Å; F115-Y178 PolarHBondContact O-OH 3.49Å; A118-Y178 HydrophobicContact CB-CE1 4.23Å; L174-Y178 PolarHBondContact O-N 2.78Å; F175-Y178 PolarHBondContact O-N 3.06Å; V176-Y178 VanDerWaalsContact C-N 3.34Å; V176-Y178 PolarHBondContact O-N 3.41Å; Y178-T180 PolarHBondContact O-N 3.41Å; Y178-S181 PolarHBondContact O-N 3.28Å; Y178-Y182 HydrophobicContact CD2-CD2 4.46Å; Y178-Y182 HydrophobicContact CD2-CE2 4.46Å; Y178-Y182 HydrophobicContact CE2-CD2 4.37Å; Y178-Y182 HydrophobicContact CE2-CE2 4.45Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.49Å
179F92.5Very high92.4Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-73.9-30.6-173-74-74.3000112.7F25 F115 A118 N132 F175 S181 Y182 H183 I186F25-F179 HydrophobicContact CB-CE1 4.03Å; F25-F179 HydrophobicContact CB-CZ 3.71Å; F25-F179 HydrophobicContact CD2-CE1 4.36Å; F25-F179 HydrophobicContact CG-CE1 4.27Å; F25-F179 HydrophobicContact CG-CZ 4.26Å; F115-F179 HydrophobicContact CD1-CE2 4.15Å; F115-F179 HydrophobicContact CD1-CZ 4.39Å; F115-F179 HydrophobicContact CE1-CD2 4.35Å; F115-F179 AromaticContact CE1-CE2 3.75Å; F115-F179 HydrophobicContact CE1-CE2 3.75Å; F115-F179 HydrophobicContact CE1-CZ 4.43Å; A118-F179 HydrophobicContact CB-CE1 4.14Å; A118-F179 HydrophobicContact CB-CZ 4.34Å; N132-F179 HydrophobicContact CB-CB 4.33Å; N132-F179 HydrophobicContact CB-CD1 3.75Å; N132-F179 HydrophobicContact CB-CD2 4.22Å; N132-F179 HydrophobicContact CB-CE1 4.07Å; N132-F179 HydrophobicContact CB-CG 3.84Å; N132-F179 HydrophobicContact CB-CZ 4.45Å; N132-F179 VanDerWaalsContact CG-CE1 3.4Å; N132-F179 WeakPolarHBondContact ND2-CD1 3.42Å; N132-F179 WeakPolarHBondContact OD1-CD1 3.27Å; N132-F179 WeakPolarHBondContact OD1-CE1 3.34Å; F175-F179 AromaticContact CD1-CD2 3.92Å; F175-F179 HydrophobicContact CD1-CD2 3.92Å; F175-F179 AromaticContact CD2-CD2 3.94Å; F175-F179 HydrophobicContact CD2-CD2 3.94Å; F175-F179 AromaticContact CD2-CE2 3.78Å; F175-F179 HydrophobicContact CD2-CE2 3.78Å; F175-F179 AromaticContact CE1-CD2 3.63Å; F175-F179 HydrophobicContact CE1-CD2 3.63Å; F175-F179 HydrophobicContact CE1-CE2 4.1Å; F175-F179 HydrophobicContact CE1-CG 4.46Å; F175-F179 AromaticContact CE2-CD2 3.66Å; F175-F179 HydrophobicContact CE2-CD2 3.66Å; F175-F179 AromaticContact CE2-CE2 3.28Å; F175-F179 HydrophobicContact CE2-CE2 3.28Å; F175-F179 HydrophobicContact CE2-CZ 4.33Å; F175-F179 HydrophobicContact CG-CD2 4.07Å; F175-F179 HydrophobicContact CG-CE2 4.38Å; F175-F179 AromaticContact CZ-CD2 3.49Å; F175-F179 HydrophobicContact CZ-CD2 3.49Å; F175-F179 VanDerWaalsContact CZ-CD2 3.49Å; F175-F179 AromaticContact CZ-CE2 3.45Å; F175-F179 HydrophobicContact CZ-CE2 3.45Å; F175-F179 VanDerWaalsContact CZ-CE2 3.45Å; F175-F179 HydrophobicContact CZ-CG 4.48Å; F175-F179 HydrophobicContact CZ-CZ 4.41Å; F175-F179 WeakPolarHBondContact O-CD2 3.05Å; F175-F179 PolarHBondContact O-N 2.68Å; F179-S181 VanDerWaalsContact C-N 3.26Å; F179-S181 PolarHBondContact O-N 3.39Å; F179-Y182 PolarHBondContact O-N 3.06Å; F179-H183 CarbonylContact C-O 3.52Å; F179-H183 HydrophobicContact CD1-CB 3.88Å; F179-H183 CarbonylContact O-C 3.6Å; F179-H183 WeakPolarHBondContact O-CA 3.32Å; F179-H183 PolarHBondContact O-N 3.05Å; F179-I186 HydrophobicContact CB-CD1 3.62Å; F179-I186 HydrophobicContact CB-CG1 3.76Å
180T87.3Confident92.4Very high51 Ų5131.7 Ų31.731%0.31317%0.168SC..Hα-helixtrans-66.1-33.9179.1-57.20000111.4V176 Y178 Y182 I186V176-T180 WeakPolarHBondContact CG1-OG1 3.3Å; V176-T180 WeakPolarHBondContact O-CA 3.36Å; V176-T180 WeakPolarHBondContact O-CB 3.29Å; V176-T180 PolarHBondContact O-N 3.37Å; V176-T180 PolarHBondContact O-OG1 3.38Å; Y178-T180 PolarHBondContact O-N 3.41Å; T180-Y182 VanDerWaalsContact C-N 3.35Å; T180-I186 VanDerWaalsContact OG1-CD1 3.27Å; T180-I186 WeakPolarHBondContact OG1-CD1 3.22Å
181S78.1Confident92.4Very high74 Ų7429.9 Ų29.952%0.51716%0.158SC..Hα-helixtrans-71.1-29.4-179-61.30000113.2D177 Y178 F179D177-S181 WeakPolarHBondContact O-CB 3.48Å; D177-S181 PolarHBondContact O-N 3.01Å; D177-S181 PolarHBondContact O-OG 3.02Å; Y178-S181 PolarHBondContact O-N 3.28Å; F179-S181 VanDerWaalsContact C-N 3.26Å; F179-S181 PolarHBondContact O-N 3.39Å
182Y70.3Confident92.4Very high147 Ų14730 Ų3058%0.57616%0.159SC*.Hα-helixtrans-125.9-27.7-167.5-55.7-66.1000114.1Y178 F179 T180Y178-Y182 HydrophobicContact CD2-CD2 4.46Å; Y178-Y182 HydrophobicContact CD2-CE2 4.46Å; Y178-Y182 HydrophobicContact CE2-CD2 4.37Å; Y178-Y182 HydrophobicContact CE2-CE2 4.45Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.49Å; F179-Y182 PolarHBondContact O-N 3.06Å; T180-Y182 VanDerWaalsContact C-N 3.35Å
183H77.1Confident92.4Very high16 Ų1631.1 Ų31.17%0.07417%0.167CC..  trans-158.5108.3-158.4-56.9-56.8000114.2I123 Q130 N132 F179I123-H183 WeakPolarHBondContact CD1-CE1 3.35Å; I123-H183 WeakPolarHBondContact CD1-ND1 3.25Å; I123-H183 WeakPolarHBondContact CG1-CE1 3.26Å; Q130-H183 PolarHBondContact NE2-CE1 2.79Å; Q130-H183 PolarHBondContact NE2-ND1 2.86Å; Q130-H183 PolarHBondContact OE1-CD2 3.14Å; Q130-H183 PolarHBondContact OE1-ND1 2.9Å; N132-H183 PolarHBondContact ND2-O 2.9Å; F179-H183 CarbonylContact C-O 3.52Å; F179-H183 HydrophobicContact CD1-CB 3.88Å; F179-H183 CarbonylContact O-C 3.6Å; F179-H183 WeakPolarHBondContact O-CA 3.32Å; F179-H183 PolarHBondContact O-N 3.05Å
184Q81.3Confident92.3Very high65 Ų6531.5 Ų31.530%0.30416%0.164SC..  trans-113.5162171.6-67.5-166.2-36.200111.1S226Q184-S226 PolarHBondContact NE2-OG 3.33Å
185P90.2Very high92.3Very high15 Ų1530.8 Ų30.810%0.09716%0.161CC..  cis-73.5162.1-4.930.8-44.3000116.8Q130 N132 P286Q130-P185 WeakPolarHBondContact O-CD 3.26Å; N132-P185 PolarHBondContact N-O 3.06Å; N132-P185 VanDerWaalsContact N-O 3.1Å; N132-P185 PolarHBondContact ND2-O 3.49Å; P185-P286 HydrophobicContact CB-CB 3.99Å; P185-P286 HydrophobicContact CG-CB 3.83Å; P185-P286 HydrophobicContact CG-CG 4.18Å
186I95.2Very high92.3Very high1 Ų131.2 Ų31.21%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-121.8131.1174.2-58.7167.1000110N132 F175 F179 T180 I188 L227 A228N132-I186 HydrophobicContact CB-CG1 4.46Å; N132-I186 CarbonylContact O-C 3.48Å; N132-I186 WeakPolarHBondContact O-CA 3.44Å; F175-I186 HydrophobicContact CD1-CG2 4.32Å; F175-I186 HydrophobicContact CE1-CG2 3.99Å; F179-I186 HydrophobicContact CB-CD1 3.62Å; F179-I186 HydrophobicContact CB-CG1 3.76Å; T180-I186 VanDerWaalsContact OG1-CD1 3.27Å; T180-I186 WeakPolarHBondContact OG1-CD1 3.22Å; I186-I188 HydrophobicContact CG2-CD1 3.84Å; I186-I188 HydrophobicContact CG2-CG1 4.37Å; I186-L227 HydrophobicContact CB-CD2 3.67Å; I186-L227 HydrophobicContact CD1-CD2 3.92Å; I186-L227 HydrophobicContact CG1-CD2 4.39Å; I186-L227 HydrophobicContact CG2-CD2 3.78Å; I186-A228 PolarHBondContact O-N 2.82Å
187T97.8Very high92.3Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-121.1126.3176.6-55.30000110.5W131 N132 M133 L134 V189 A228 L281 Q284W131-T187 HydrophobicContact CZ2-CG2 4.39Å; W131-T187 PolarHBondContact NE1-OG1 3.37Å; N132-T187 PolarHBondContact O-N 2.88Å; M133-T187 CarbonylContact C-O 3.15Å; M133-T187 WeakPolarHBondContact CA-O 3.47Å; M133-T187 HydrophobicContact CG-CG2 4.46Å; L134-T187 PolarHBondContact N-O 3.45Å; T187-V189 HydrophobicContact CG2-CG2 4.22Å; T187-A228 CarbonylContact C-O 3.55Å; T187-A228 VanDerWaalsContact CA-O 3.32Å; T187-A228 WeakPolarHBondContact CA-O 3.41Å; T187-A228 HydrophobicContact CG2-CB 4.28Å; T187-L281 HydrophobicContact CG2-CD2 4.1Å; T187-Q284 PolarHBondContact OG1-NE2 2.81Å; T187-Q284 PolarHBondContact OG1-OE1 2.77Å
188I98.6Very high92.3Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-111121.7176.7-51.3-59.3000108.4L134 F175 V176 I186 F217 A228 V229 L230L134-I188 HydrophobicContact CB-CD1 3.81Å; L134-I188 HydrophobicContact CD2-CD1 4.32Å; F175-I188 HydrophobicContact CD1-CD1 4.22Å; V176-I188 HydrophobicContact CG2-CD1 4.12Å; I186-I188 HydrophobicContact CG2-CD1 3.84Å; I186-I188 HydrophobicContact CG2-CG1 4.37Å; I188-F217 HydrophobicContact CG2-CD1 3.7Å; I188-F217 HydrophobicContact CG2-CE1 3.45Å; I188-F217 VanDerWaalsContact CG2-CE1 3.45Å; I188-A228 PolarHBondContact N-O 3.49Å; I188-V229 HydrophobicContact CB-CG1 4.29Å; I188-V229 HydrophobicContact CB-CG2 4.19Å; I188-V229 HydrophobicContact CG1-CG2 4.41Å; I188-V229 CarbonylContact O-C 3.49Å; I188-V229 WeakPolarHBondContact O-CA 3.22Å; I188-L230 PolarHBondContact O-N 3.23Å
189V98.8Very high92.4Very high0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-112.3110.9176.6-175.60000108.5M133 L134 V135 H136 T187 I191 L230 L281M133-V189 HydrophobicContact CG-CG2 4.26Å; M133-V189 HydrophobicContact SD-CG2 3.85Å; L134-V189 PolarHBondContact O-N 3.33Å; V135-V189 WeakPolarHBondContact CA-O 3.26Å; V135-V189 HydrophobicContact CG1-CB 4.37Å; V135-V189 HydrophobicContact CG1-CG1 4.5Å; V135-V189 HydrophobicContact CG2-CB 4.36Å; H136-V189 PolarHBondContact N-O 2.88Å; T187-V189 HydrophobicContact CG2-CG2 4.22Å; V189-I191 HydrophobicContact CG1-CD1 3.93Å; V189-L230 HydrophobicContact CG1-CD2 4.38Å; V189-L281 HydrophobicContact CG2-CD1 4.28Å; V189-L281 HydrophobicContact CG2-CD2 3.76Å
190N98.8Very high92.5Very high0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-98.7121.817217560.1000109.8H136 S192 R213 F217 L230 N231 Y232H136-N190 HydrophobicContact CB-CB 4.39Å; N190-S192 PolarHBondContact O-N 3.39Å; N190-R213 PolarHBondContact OD1-NE 3.42Å; N190-F217 HydrophobicContact CB-CD1 4.28Å; N190-F217 HydrophobicContact CB-CD2 3.39Å; N190-F217 HydrophobicContact CB-CE1 4.41Å; N190-F217 HydrophobicContact CB-CE2 3.56Å; N190-F217 HydrophobicContact CB-CG 3.84Å; N190-F217 HydrophobicContact CB-CZ 4.09Å; N190-F217 VanDerWaalsContact OD1-CE2 3.27Å; N190-F217 WeakPolarHBondContact OD1-CE2 3.36Å; N190-L230 PolarHBondContact N-O 3.49Å; N190-N231 WeakPolarHBondContact CB-OD1 3.46Å; N190-N231 PolarHBondContact ND2-OD1 2.81Å; N190-N231 CarbonylContact O-C 3.59Å; N190-N231 WeakPolarHBondContact O-CA 3.22Å; N190-Y232 PolarHBondContact O-N 3.27Å
191I98.6Very high93Very high9 Ų939.9 Ų39.95%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-77.697.1174.2-52.6-49.7000107.9F35 V135 H136 N137 V189 K210 Y232 P234F35-I191 HydrophobicContact CD1-CD1 4.13Å; F35-I191 HydrophobicContact CD1-CG1 4.07Å; F35-I191 HydrophobicContact CD1-CG2 4.42Å; F35-I191 HydrophobicContact CE1-CD1 3.38Å; F35-I191 HydrophobicContact CE1-CG1 3.83Å; F35-I191 HydrophobicContact CZ-CD1 4.03Å; V135-I191 HydrophobicContact CG1-CD1 4.46Å; H136-I191 PolarHBondContact O-N 3.41Å; N137-I191 HydrophobicContact CB-CB 4.46Å; N137-I191 HydrophobicContact CB-CG1 3.7Å; V189-I191 HydrophobicContact CG1-CD1 3.93Å; I191-K210 PolarHBondContact O-NZ 2.93Å; I191-Y232 CarbonylContact C-O 3.49Å; I191-Y232 WeakPolarHBondContact CA-O 3.38Å; I191-Y232 HydrophobicContact CD1-CD1 4.28Å; I191-P234 HydrophobicContact CG2-CB 4.48Å; I191-P234 HydrophobicContact CG2-CG 3.74Å
192S97.8Very high93.8Very high2 Ų237.2 Ų37.21%0.01420%0.195CC..  trans-79.3-159.8-179.5-164.20000111N190 K210 Q214 Y232N190-S192 PolarHBondContact O-N 3.39Å; S192-K210 PolarHBondContact O-NZ 3.45Å; S192-Q214 PolarHBondContact OG-OE1 2.91Å; S192-Y232 PolarHBondContact N-O 3.11Å
193S97.5Very high95.1Very high25 Ų2530.6 Ų30.618%0.17517%0.17CC..  trans-164.5158176.7177.80000108.6A195 A196S193-A195 PolarHBondContact O-N 2.99Å; S193-A195 VanDerWaalsContact O-N 3.14Å; S193-A195 PolarHBondContact OG-N 3.48Å; S193-A195 VanDerWaalsContact OG-N 3.12Å; S193-A196 VanDerWaalsContact O-CB 3.26Å; S193-A196 WeakPolarHBondContact O-CB 3.5Å; S193-A196 PolarHBondContact O-N 3.34Å
194L96.4Very high96Very high66 Ų6631 Ų3135%0.34617%0.174SC..G310 helixtrans-53.4-28.8163.8-17757.6000112.1A196 D197 Q198 F200L194-A196 PolarHBondContact O-N 3.43Å; L194-A196 VanDerWaalsContact O-N 3.11Å; L194-D197 PolarHBondContact O-N 2.98Å; L194-Q198 HydrophobicContact CD1-CB 4.29Å; L194-Q198 HydrophobicContact CG-CB 4.19Å; L194-Q198 PolarHBondContact O-N 2.99Å; L194-F200 HydrophobicContact CB-CZ 4.5Å; L194-F200 HydrophobicContact CD2-CZ 4Å; L194-F200 HydrophobicContact CG-CE2 4.32Å; L194-F200 HydrophobicContact CG-CZ 4.07Å
195A96.8Very high96.8Very high3 Ų328.2 Ų28.23%0.02516%0.162CC..G310 helixtrans-63.5-11.8174.800000114.6S193 D197 Q198 F200 Y206 C207S193-A195 PolarHBondContact O-N 2.99Å; S193-A195 VanDerWaalsContact O-N 3.14Å; S193-A195 PolarHBondContact OG-N 3.48Å; S193-A195 VanDerWaalsContact OG-N 3.12Å; A195-D197 VanDerWaalsContact C-N 3.26Å; A195-Q198 WeakPolarHBondContact CA-O 3.48Å; A195-F200 HydrophobicContact CB-CD2 3.88Å; A195-F200 HydrophobicContact CB-CE2 3.97Å; A195-Y206 HydrophobicContact CB-CD1 3.57Å; A195-Y206 HydrophobicContact CB-CE1 3.64Å; A195-C207 VanDerWaalsContact O-CA 3.28Å; A195-C207 WeakPolarHBondContact O-CA 3.29Å
196A97.5Very high97.1Very high8 Ų828.7 Ų28.77%0.06616%0.162CC..G310 helixtrans-71.6-21.7171.300000112.9S193 L194 K210 A211 Q214S193-A196 VanDerWaalsContact O-CB 3.26Å; S193-A196 WeakPolarHBondContact O-CB 3.5Å; S193-A196 PolarHBondContact O-N 3.34Å; L194-A196 PolarHBondContact O-N 3.43Å; L194-A196 VanDerWaalsContact O-N 3.11Å; A196-K210 HydrophobicContact CB-CB 3.98Å; A196-A211 WeakPolarHBondContact O-CB 3.47Å; A196-Q214 HydrophobicContact CB-CB 4.07Å; A196-Q214 HydrophobicContact CB-CG 4.48Å
197D96.3Very high97.2Very high92 Ų9229.4 Ų29.449%0.49217%0.167SC..THydrogen-bonded Turntrans-126.2-17.2-174.7-60.8-64000113.3L194 A195 Q214 R316L194-D197 PolarHBondContact O-N 2.98Å; A195-D197 VanDerWaalsContact C-N 3.26Å; D197-Q214 VanDerWaalsContact CG-NE2 3.32Å; D197-Q214 PolarHBondContact OD1-NE2 2.82Å; D197-Q214 PolarHBondContact OD2-NE2 3.03Å; D197-R316 VanDerWaalsContact OD2-CD 3.27Å; D197-R316 WeakPolarHBondContact OD2-CD 3.49Å; D197-R316 IonicContact OD2-CZ 3.89Å; D197-R316 IonicContact OD2-NE 3.89Å; D197-R316 IonicContact OD2-NH1 2.72Å; D197-R316 PolarHBondContact OD2-NH1 3.26Å
198Q95.9Very high97.2Very high94 Ų9433.6 Ų33.644%0.43919%0.188SC..SBendtrans-123.9132.5-179.5-176.1177.2-27.900111.3L194 A195 F200L194-Q198 HydrophobicContact CD1-CB 4.29Å; L194-Q198 HydrophobicContact CG-CB 4.19Å; L194-Q198 PolarHBondContact O-N 2.99Å; A195-Q198 WeakPolarHBondContact CA-O 3.48Å; Q198-F200 HydrophobicContact CB-CE2 4.09Å; Q198-F200 HydrophobicContact CB-CZ 4.47Å; Q198-F200 HydrophobicContact CG-CE2 4.29Å; Q198-F200 HydrophobicContact CG-CZ 4.37Å; Q198-F200 WeakPolarHBondContact O-CD2 3.34Å; Q198-F200 WeakPolarHBondContact O-CE2 3.21Å
199P96.7Very high97.2Very high111 Ų11133.7 Ų33.772%0.72119%0.189SC*.  trans-73141.2174.530.2-34.5000111.5
200F95.9Very high97.1Very high50 Ų5034.2 Ų34.222%0.21919%0.191CC..  trans-120.8138.9172.8-68.8-88.2000110.4L194 A195 Q198 M203 C207L194-F200 HydrophobicContact CB-CZ 4.5Å; L194-F200 HydrophobicContact CD2-CZ 4Å; L194-F200 HydrophobicContact CG-CE2 4.32Å; L194-F200 HydrophobicContact CG-CZ 4.07Å; A195-F200 HydrophobicContact CB-CD2 3.88Å; A195-F200 HydrophobicContact CB-CE2 3.97Å; Q198-F200 HydrophobicContact CB-CE2 4.09Å; Q198-F200 HydrophobicContact CB-CZ 4.47Å; Q198-F200 HydrophobicContact CG-CE2 4.29Å; Q198-F200 HydrophobicContact CG-CZ 4.37Å; Q198-F200 WeakPolarHBondContact O-CD2 3.34Å; Q198-F200 WeakPolarHBondContact O-CE2 3.21Å; F200-M203 HydrophobicContact CB-CB 4.01Å; F200-M203 HydrophobicContact CB-CG 4.24Å; F200-M203 HydrophobicContact CB-SD 3.93Å; F200-M203 PolarHBondContact O-N 3.05Å; F200-C207 PolarHBondContact N-SG 3.32Å; F200-C207 VanDerWaalsContact N-SG 3.44Å
201P96.5Very high97.1Very high59 Ų5936.1 Ų36.138%0.38321%0.207SC..THydrogen-bonded Turntrans-61.7143.6-178.727-34.6000110.7M203 H249 N251 T254P201-M203 PolarHBondContact O-N 3.33Å; P201-H249 PolarHBondContact O-CE1 3.27Å; P201-H249 PolarHBondContact O-NE2 3.18Å; P201-N251 HydrophobicContact CB-CB 4.11Å; P201-N251 HydrophobicContact CG-CB 3.97Å; P201-T254 WeakPolarHBondContact CG-OG1 3.28Å
202C96.6Very high97.1Very high18 Ų1837.4 Ų37.412%0.12222%0.219CC..THydrogen-bonded Turntrans59.51.2-178-56.90000116.3I144 H145 S146I144-C202 CarbonylContact C-O 3.44Å; I144-C202 WeakPolarHBondContact CA-O 3.24Å; I144-C202 WeakPolarHBondContact O-CB 3.45Å; H145-C202 PolarHBondContact O-SG 3.21Å; H145-C202 VanDerWaalsContact O-SG 3.37Å; S146-C202 VanDerWaalsContact O-CA 3.31Å; S146-C202 WeakPolarHBondContact O-CA 3.42Å
203M96.8Very high97.1Very high9 Ų937.6 Ų37.64%0.04422%0.219CC..  trans-112.632.5-177.6-60.5-172.774.300112.6L141 I144 F200 P201 D205 Y206 C207 L245 H249L141-M203 HydrophobicContact CD2-CE 4.17Å; I144-M203 HydrophobicContact CG2-CE 4.19Å; I144-M203 HydrophobicContact CG2-CG 4.2Å; F200-M203 HydrophobicContact CB-CB 4.01Å; F200-M203 HydrophobicContact CB-CG 4.24Å; F200-M203 HydrophobicContact CB-SD 3.93Å; F200-M203 PolarHBondContact O-N 3.05Å; P201-M203 PolarHBondContact O-N 3.33Å; M203-D205 PolarHBondContact O-N 3.46Å; M203-Y206 HydrophobicContact CE-CD1 3.78Å; M203-Y206 HydrophobicContact CE-CD2 4.49Å; M203-Y206 HydrophobicContact CE-CE1 4.33Å; M203-Y206 HydrophobicContact CE-CG 3.87Å; M203-Y206 WeakPolarHBondContact O-CB 3.47Å; M203-Y206 PolarHBondContact O-N 2.96Å; M203-Y206 VanDerWaalsContact O-N 3.16Å; M203-C207 PolarHBondContact O-N 3.13Å; M203-C207 PolarHBondContact O-SG 3.03Å; M203-L245 HydrophobicContact CE-CD1 3.73Å; M203-L245 HydrophobicContact SD-CD1 3.85Å; M203-H249 WeakPolarHBondContact CG-NE2 3.49Å
204S96.7Very high97.1Very high23 Ų2336.7 Ų36.716%0.16121%0.212CC..Hα-helixtrans-57.1-46.6-173.556.10000112.6R151 Y206 C207 I208R151-S204 PolarHBondContact NH1-OG 3.48Å; R151-S204 PolarHBondContact NH2-OG 3.16Å; R151-S204 VanDerWaalsContact NH2-OG 3.17Å; S204-Y206 VanDerWaalsContact C-N 3.29Å; S204-Y206 PolarHBondContact O-N 2.78Å; S204-C207 PolarHBondContact O-N 3.09Å; S204-I208 WeakPolarHBondContact O-CB 3.48Å; S204-I208 VanDerWaalsContact O-CG1 3.22Å; S204-I208 WeakPolarHBondContact O-CG1 3.38Å; S204-I208 PolarHBondContact O-N 2.86Å
205D96.6Very high97.2Very high8 Ų839 Ų394%0.04322%0.223CC..Hα-helixtrans-66-36-178.6-49.2-28.2000111.2R151 Y160 Y161 M203 I208 S209R151-D205 IonicContact CZ-OD1 3.7Å; R151-D205 IonicContact CZ-OD2 2.7Å; R151-D205 VanDerWaalsContact NE-CG 3.28Å; R151-D205 IonicContact NE-OD1 3.42Å; R151-D205 PolarHBondContact NE-OD1 3.44Å; R151-D205 IonicContact NE-OD2 3.19Å; R151-D205 PolarHBondContact NE-OD2 3.23Å; R151-D205 IonicContact NH2-OD1 2.79Å; R151-D205 PolarHBondContact NH2-OD1 3.43Å; R151-D205 IonicContact NH2-OD2 3.86Å; R151-D205 PolarHBondContact NH2-OD2 3.04Å; Y160-D205 HydrophobicContact CD1-CB 3.68Å; Y160-D205 HydrophobicContact CE1-CB 3.4Å; Y160-D205 VanDerWaalsContact CE1-O 3.26Å; Y160-D205 WeakPolarHBondContact CE1-O 3.43Å; Y160-D205 HydrophobicContact CG-CB 4.43Å; Y160-D205 PolarHBondContact OH-O 2.86Å; Y161-D205 HydrophobicContact CE1-CB 4.39Å; Y161-D205 PolarHBondContact OH-OD1 3.38Å; M203-D205 PolarHBondContact O-N 3.46Å; D205-I208 PolarHBondContact O-N 2.99Å; D205-S209 WeakPolarHBondContact O-CB 3.47Å; D205-S209 PolarHBondContact O-N 3.49Å; D205-S209 PolarHBondContact O-OG 3.15Å
206Y97.1Very high97.3Very high24 Ų2441.1 Ų41.19%0.09423%0.23CC..Hα-helixtrans-63.3-45.7173.9-167.4-91.3000112.3L141 Y160 A195 M203 S204 S209 K210L141-Y206 HydrophobicContact CD2-CD2 4.16Å; L141-Y206 HydrophobicContact CD2-CE2 3.97Å; Y160-Y206 WeakPolarHBondContact OH-CA 3.31Å; Y160-Y206 PolarHBondContact OH-N 3.37Å; A195-Y206 HydrophobicContact CB-CD1 3.57Å; A195-Y206 HydrophobicContact CB-CE1 3.64Å; M203-Y206 HydrophobicContact CE-CD1 3.78Å; M203-Y206 HydrophobicContact CE-CD2 4.49Å; M203-Y206 HydrophobicContact CE-CE1 4.33Å; M203-Y206 HydrophobicContact CE-CG 3.87Å; M203-Y206 WeakPolarHBondContact O-CB 3.47Å; M203-Y206 PolarHBondContact O-N 2.96Å; M203-Y206 VanDerWaalsContact O-N 3.16Å; S204-Y206 VanDerWaalsContact C-N 3.29Å; S204-Y206 PolarHBondContact O-N 2.78Å; Y206-S209 PolarHBondContact O-OG 2.98Å; Y206-S209 VanDerWaalsContact O-OG 3.13Å; Y206-K210 HydrophobicContact CD1-CG 4.13Å; Y206-K210 HydrophobicContact CE1-CG 3.82Å; Y206-K210 WeakPolarHBondContact O-CB 3.49Å; Y206-K210 VanDerWaalsContact O-CG 3.3Å; Y206-K210 WeakPolarHBondContact O-CG 3.09Å; Y206-K210 PolarHBondContact O-N 2.75Å; Y206-K210 VanDerWaalsContact OH-CE 3.24Å; Y206-K210 WeakPolarHBondContact OH-CE 3.31Å
207C97.7Very high97.4Very high17 Ų1740.7 Ų40.712%0.11523%0.227CC..Hα-helixtrans-63.7-45.9176.2-58.10000111.1A195 F200 M203 S204 K210 A211A195-C207 VanDerWaalsContact O-CA 3.28Å; A195-C207 WeakPolarHBondContact O-CA 3.29Å; F200-C207 PolarHBondContact N-SG 3.32Å; F200-C207 VanDerWaalsContact N-SG 3.44Å; M203-C207 PolarHBondContact O-N 3.13Å; M203-C207 PolarHBondContact O-SG 3.03Å; S204-C207 PolarHBondContact O-N 3.09Å; C207-K210 PolarHBondContact O-N 3.05Å; C207-A211 VanDerWaalsContact O-CB 3.25Å; C207-A211 WeakPolarHBondContact O-CB 3.36Å; C207-A211 PolarHBondContact O-N 2.92Å
208I97.7Very high97.4Very high87 Ų8739.6 Ų39.645%0.44622%0.218SC..Hα-helixtrans-59-51.8178.7-69.7164.3000110.7Y161 S204 D205 K210 A211 A212Y161-I208 HydrophobicContact CE1-CB 4.21Å; Y161-I208 HydrophobicContact CE1-CG2 3.73Å; Y161-I208 WeakPolarHBondContact OH-CD1 3.27Å; S204-I208 WeakPolarHBondContact O-CB 3.48Å; S204-I208 VanDerWaalsContact O-CG1 3.22Å; S204-I208 WeakPolarHBondContact O-CG1 3.38Å; S204-I208 PolarHBondContact O-N 2.86Å; D205-I208 PolarHBondContact O-N 2.99Å; I208-K210 PolarHBondContact O-N 3.2Å; I208-A211 PolarHBondContact O-N 2.96Å; I208-A212 WeakPolarHBondContact O-CB 3.26Å; I208-A212 PolarHBondContact O-N 2.86Å
209S97.8Very high97.6Very high2 Ų237.6 Ų37.61%0.01421%0.213CC..Hα-helixtrans-64.4-40.8-177.5630000112Y160 D205 Y206 R213Y160-S209 PolarHBondContact OH-OG 3.31Å; Y160-S209 VanDerWaalsContact OH-OG 3.05Å; D205-S209 WeakPolarHBondContact O-CB 3.47Å; D205-S209 PolarHBondContact O-N 3.49Å; D205-S209 PolarHBondContact O-OG 3.15Å; Y206-S209 PolarHBondContact O-OG 2.98Å; Y206-S209 VanDerWaalsContact O-OG 3.13Å; S209-R213 WeakPolarHBondContact O-CB 3.48Å; S209-R213 VanDerWaalsContact O-CG 3.23Å; S209-R213 WeakPolarHBondContact O-CG 3.25Å; S209-R213 PolarHBondContact O-N 2.74Å
210K98.1Very high97.6Very high12 Ų1233.4 Ų33.45%0.05219%0.185CC..Hα-helixtrans-65-44.1175.8-73.3-67.7-172.6175.50112.1I191 S192 A196 Y206 C207 I208 Q214I191-K210 PolarHBondContact O-NZ 2.93Å; S192-K210 PolarHBondContact O-NZ 3.45Å; A196-K210 HydrophobicContact CB-CB 3.98Å; Y206-K210 HydrophobicContact CD1-CG 4.13Å; Y206-K210 HydrophobicContact CE1-CG 3.82Å; Y206-K210 WeakPolarHBondContact O-CB 3.49Å; Y206-K210 VanDerWaalsContact O-CG 3.3Å; Y206-K210 WeakPolarHBondContact O-CG 3.09Å; Y206-K210 PolarHBondContact O-N 2.75Å; Y206-K210 VanDerWaalsContact OH-CE 3.24Å; Y206-K210 WeakPolarHBondContact OH-CE 3.31Å; C207-K210 PolarHBondContact O-N 3.05Å; I208-K210 PolarHBondContact O-N 3.2Å; K210-Q214 VanDerWaalsContact O-CB 3.3Å; K210-Q214 WeakPolarHBondContact O-CB 3.42Å; K210-Q214 PolarHBondContact O-N 2.92Å
211A98.4Very high97.6Very high39 Ų3931.4 Ų31.432%0.32218%0.177SC..Hα-helixtrans-64.9-46.7177.500000111.9A196 C207 I208 Q214 M215A196-A211 WeakPolarHBondContact O-CB 3.47Å; C207-A211 VanDerWaalsContact O-CB 3.25Å; C207-A211 WeakPolarHBondContact O-CB 3.36Å; C207-A211 PolarHBondContact O-N 2.92Å; I208-A211 PolarHBondContact O-N 2.96Å; A211-Q214 PolarHBondContact O-N 3.16Å; A211-M215 PolarHBondContact O-N 3.41Å
212A98.5Very high97.6Very high36 Ų3634.7 Ų34.730%0.29819%0.19SC..Hα-helixtrans-62.5-45.5178.900000111.8L165 I208 M215 Y216L165-A212 HydrophobicContact CD1-CB 3.78Å; L165-A212 HydrophobicContact CD2-CB 3.85Å; L165-A212 HydrophobicContact CG-CB 4.49Å; I208-A212 WeakPolarHBondContact O-CB 3.26Å; I208-A212 PolarHBondContact O-N 2.86Å; A212-M215 PolarHBondContact O-N 3.25Å; A212-Y216 WeakPolarHBondContact O-CB 3.32Å; A212-Y216 PolarHBondContact O-N 3.39Å
213R97.6Very high97.5Very high6 Ų640.4 Ų40.42%0.02322%0.219CC..Hα-helixtrans-58.4-50.1172.7-75.6179.193.8140.9-4.3111A138 N164 L165 P168 N190 S209 M215 Y216 F217A138-R213 PolarHBondContact O-NH1 3.44Å; N164-R213 WeakPolarHBondContact O-CD 3.4Å; N164-R213 WeakPolarHBondContact O-CG 3.49Å; N164-R213 PolarHBondContact O-NE 3.49Å; N164-R213 PolarHBondContact O-NH1 3.2Å; L165-R213 HydrophobicContact CD1-CG 3.83Å; P168-R213 VanDerWaalsContact CG-CZ 3.42Å; N190-R213 PolarHBondContact OD1-NE 3.42Å; S209-R213 WeakPolarHBondContact O-CB 3.48Å; S209-R213 VanDerWaalsContact O-CG 3.23Å; S209-R213 WeakPolarHBondContact O-CG 3.25Å; S209-R213 PolarHBondContact O-N 2.74Å; R213-M215 VanDerWaalsContact C-N 3.26Å; R213-M215 PolarHBondContact O-N 2.99Å; R213-Y216 WeakPolarHBondContact O-CB 3.49Å; R213-Y216 PolarHBondContact O-N 3.38Å; R213-F217 HydrophobicContact CB-CD2 4.29Å; R213-F217 HydrophobicContact CB-CE2 4.22Å; R213-F217 WeakPolarHBondContact O-CD2 3.46Å; R213-F217 PolarHBondContact O-N 2.93Å
214Q98.3Very high97.3Very high6 Ų642 Ų423%0.02823%0.228CC..Hα-helixtrans-57.3-41.8-178.8-179.7163.9-80.900111.4S192 A196 D197 K210 A211 K218S192-Q214 PolarHBondContact OG-OE1 2.91Å; A196-Q214 HydrophobicContact CB-CB 4.07Å; A196-Q214 HydrophobicContact CB-CG 4.48Å; D197-Q214 VanDerWaalsContact CG-NE2 3.32Å; D197-Q214 PolarHBondContact OD1-NE2 2.82Å; D197-Q214 PolarHBondContact OD2-NE2 3.03Å; K210-Q214 VanDerWaalsContact O-CB 3.3Å; K210-Q214 WeakPolarHBondContact O-CB 3.42Å; K210-Q214 PolarHBondContact O-N 2.92Å; A211-Q214 PolarHBondContact O-N 3.16Å; Q214-K218 WeakPolarHBondContact O-CG 3.39Å; Q214-K218 PolarHBondContact O-N 3.25Å; Q214-K218 VanDerWaalsContact O-N 3.12Å
215M98.4Very high97.1Very high116 Ų11642.6 Ų42.657%0.57123%0.232SC*.Hα-helixtrans-66.1-46.5175.6-17357.276.300112.3A211 A212 R213 F217 K218 C219A211-M215 PolarHBondContact O-N 3.41Å; A212-M215 PolarHBondContact O-N 3.25Å; R213-M215 VanDerWaalsContact C-N 3.26Å; R213-M215 PolarHBondContact O-N 2.99Å; M215-F217 VanDerWaalsContact C-N 3.32Å; M215-F217 PolarHBondContact O-N 3.27Å; M215-K218 WeakPolarHBondContact O-CB 3.25Å; M215-K218 PolarHBondContact O-N 3.36Å; M215-K218 VanDerWaalsContact O-N 3.08Å; M215-C219 PolarHBondContact O-N 3.38Å; M215-C219 VanDerWaalsContact O-N 3.13Å; M215-C219 PolarHBondContact O-SG 3.47Å
216Y98.5Very high96.9Very high46 Ų4643 Ų4318%0.1824%0.235CC..Hα-helixtrans-54.3-48.5175.6167.3-105.4000111.7I169 T172 A212 R213 K218 C219 L220I169-Y216 HydrophobicContact CB-CE1 4.25Å; I169-Y216 HydrophobicContact CB-CE2 4.36Å; I169-Y216 HydrophobicContact CD1-CD2 4.38Å; I169-Y216 HydrophobicContact CD1-CG 4.36Å; I169-Y216 HydrophobicContact CG1-CD1 3.76Å; I169-Y216 HydrophobicContact CG1-CD2 3.96Å; I169-Y216 HydrophobicContact CG1-CE1 3.78Å; I169-Y216 HydrophobicContact CG1-CE2 4Å; I169-Y216 HydrophobicContact CG1-CG 3.83Å; I169-Y216 HydrophobicContact CG2-CD2 4.47Å; I169-Y216 HydrophobicContact CG2-CE2 3.82Å; I169-Y216 PolarHBondContact O-OH 2.98Å; T172-Y216 HydrophobicContact CG2-CE1 4.32Å; T172-Y216 WeakPolarHBondContact CG2-OH 3.21Å; A212-Y216 WeakPolarHBondContact O-CB 3.32Å; A212-Y216 PolarHBondContact O-N 3.39Å; R213-Y216 WeakPolarHBondContact O-CB 3.49Å; R213-Y216 PolarHBondContact O-N 3.38Å; Y216-K218 VanDerWaalsContact C-N 3.27Å; Y216-K218 PolarHBondContact O-N 3.43Å; Y216-C219 WeakPolarHBondContact O-CB 3.26Å; Y216-C219 PolarHBondContact O-N 2.89Å; Y216-L220 HydrophobicContact CE1-CD1 4.15Å; Y216-L220 HydrophobicContact CE2-CD2 4.31Å; Y216-L220 PolarHBondContact O-N 3.3Å
217F98.4Very high96.8Very high0 Ų042 Ų420%023%0.231CC..Hα-helixtrans-66.4-26.3179.1-74.8-65.6000113.2H136 I188 N190 R213 M215 C219 L220 P221 V229H136-F217 HydrophobicContact CB-CZ 4.31Å; H136-F217 AromaticContact CD2-CE1 3.6Å; H136-F217 AromaticContact CD2-CZ 3.29Å; H136-F217 WeakPolarHBondContact CD2-CZ 3.47Å; H136-F217 AromaticContact CG-CZ 3.84Å; H136-F217 AromaticContact NE2-CZ 3.79Å; I188-F217 HydrophobicContact CG2-CD1 3.7Å; I188-F217 HydrophobicContact CG2-CE1 3.45Å; I188-F217 VanDerWaalsContact CG2-CE1 3.45Å; N190-F217 HydrophobicContact CB-CD1 4.28Å; N190-F217 HydrophobicContact CB-CD2 3.39Å; N190-F217 HydrophobicContact CB-CE1 4.41Å; N190-F217 HydrophobicContact CB-CE2 3.56Å; N190-F217 HydrophobicContact CB-CG 3.84Å; N190-F217 HydrophobicContact CB-CZ 4.09Å; N190-F217 VanDerWaalsContact OD1-CE2 3.27Å; N190-F217 WeakPolarHBondContact OD1-CE2 3.36Å; R213-F217 HydrophobicContact CB-CD2 4.29Å; R213-F217 HydrophobicContact CB-CE2 4.22Å; R213-F217 WeakPolarHBondContact O-CD2 3.46Å; R213-F217 PolarHBondContact O-N 2.93Å; M215-F217 VanDerWaalsContact C-N 3.32Å; M215-F217 PolarHBondContact O-N 3.27Å; F217-C219 VanDerWaalsContact C-N 3.35Å; F217-L220 HydrophobicContact CD1-CD1 3.61Å; F217-L220 HydrophobicContact CE1-CD1 4.1Å; F217-P221 WeakPolarHBondContact O-CD 3.43Å; F217-V229 HydrophobicContact CB-CG1 3.74Å; F217-V229 HydrophobicContact CD1-CG1 4.04Å; F217-V229 HydrophobicContact CG-CG1 4.28Å; F217-V229 WeakPolarHBondContact O-CG1 3.26Å
218K98.1Very high96.8Very high69 Ų6941.1 Ų41.130%0.323%0.225SC..Hα-helixtrans-72.6-25.2170.8-76.3175.9177.3-178.30113.4Q214 M215 Y216 P221 G314Q214-K218 WeakPolarHBondContact O-CG 3.39Å; Q214-K218 PolarHBondContact O-N 3.25Å; Q214-K218 VanDerWaalsContact O-N 3.12Å; M215-K218 WeakPolarHBondContact O-CB 3.25Å; M215-K218 PolarHBondContact O-N 3.36Å; M215-K218 VanDerWaalsContact O-N 3.08Å; Y216-K218 VanDerWaalsContact C-N 3.27Å; Y216-K218 PolarHBondContact O-N 3.43Å; K218-P221 WeakPolarHBondContact O-CD 3.23Å; K218-G314 VanDerWaalsContact CE-O 3.26Å; K218-G314 WeakPolarHBondContact CE-O 3.22Å; K218-G314 WeakPolarHBondContact CG-O 3.26Å
219C98.4Very high96.8Very high51 Ų5137 Ų3735%0.34520%0.204SC..Hα-helixtrans-75.5-35.1177.7-60.50000112M215 Y216 F217 I222 D223M215-C219 PolarHBondContact O-N 3.38Å; M215-C219 VanDerWaalsContact O-N 3.13Å; M215-C219 PolarHBondContact O-SG 3.47Å; Y216-C219 WeakPolarHBondContact O-CB 3.26Å; Y216-C219 PolarHBondContact O-N 2.89Å; F217-C219 VanDerWaalsContact C-N 3.35Å; C219-I222 VanDerWaalsContact O-CB 3.31Å; C219-I222 WeakPolarHBondContact O-CB 3.35Å; C219-I222 PolarHBondContact O-N 3.28Å; C219-D223 PolarHBondContact O-N 3.47Å
220L97.8Very high96.9Very high23 Ų2336.9 Ų36.912%0.1220%0.203CC..Hα-helixtrans-51.4-51.4-178.1-68.9175.2000115.2T172 Y216 F217 I222 D223 N224 L227 V229T172-L220 HydrophobicContact CG2-CD1 3.72Å; T172-L220 HydrophobicContact CG2-CD2 4.26Å; Y216-L220 HydrophobicContact CE1-CD1 4.15Å; Y216-L220 HydrophobicContact CE2-CD2 4.31Å; Y216-L220 PolarHBondContact O-N 3.3Å; F217-L220 HydrophobicContact CD1-CD1 3.61Å; F217-L220 HydrophobicContact CE1-CD1 4.1Å; L220-I222 PolarHBondContact O-N 2.96Å; L220-D223 PolarHBondContact O-N 3.47Å; L220-N224 PolarHBondContact O-N 3.21Å; L220-L227 HydrophobicContact CB-CD1 4.19Å; L220-V229 HydrophobicContact CB-CG2 4.08Å; L220-V229 HydrophobicContact CD1-CG2 4.41Å
221P95.9Very high96.9Very high8 Ų836.3 Ų36.35%0.05220%0.201CC..Hα-helixtrans-72.1-11.7179.729.2-35.4000113.5F217 K218 P225 V229 L313F217-P221 WeakPolarHBondContact O-CD 3.43Å; K218-P221 WeakPolarHBondContact O-CD 3.23Å; P221-P225 VanDerWaalsContact O-CA 3.28Å; P221-P225 WeakPolarHBondContact O-CA 3.47Å; P221-V229 HydrophobicContact CG-CB 4.48Å; P221-V229 HydrophobicContact CG-CG2 4.36Å; P221-L313 HydrophobicContact CB-CD2 4.01Å; P221-L313 HydrophobicContact CG-CB 4.4Å
222I95.7Very high96.9Very high128 Ų12834.5 Ų34.566%0.65619%0.186SC*.Hα-helixtrans-76.1-46.9171.1-60.1173.8000109.4C219 L220C219-I222 VanDerWaalsContact O-CB 3.31Å; C219-I222 WeakPolarHBondContact O-CB 3.35Å; C219-I222 PolarHBondContact O-N 3.28Å; L220-I222 PolarHBondContact O-N 2.96Å
223D95.1Very high96.9Very high139 Ų13932.9 Ų32.974%0.74317%0.172SC*.Hα-helixtrans-76.2-32.1-178.9-65-31.5000112.4C219 L220C219-D223 PolarHBondContact O-N 3.47Å; L220-D223 PolarHBondContact O-N 3.47Å
224N93.3Very high96.9Very high41 Ų4133.2 Ų33.222%0.21918%0.175CC..  trans-135.189.8175.9-172.9-7.8000110.7L220 S226 L227L220-N224 PolarHBondContact O-N 3.21Å; N224-S226 PolarHBondContact O-N 2.92Å; N224-S226 WeakPolarHBondContact OD1-CB 3.42Å; N224-S226 PolarHBondContact OD1-N 3.43Å; N224-S226 PolarHBondContact OD1-OG 3.23Å; N224-L227 HydrophobicContact CB-CD1 3.88Å; N224-L227 HydrophobicContact CB-CG 3.92Å; N224-L227 WeakPolarHBondContact O-CB 3.35Å; N224-L227 PolarHBondContact O-N 3.04Å
225P92.7Very high96.8Very high37 Ų3733.9 Ų33.924%0.2418%0.183CC..THydrogen-bonded Turntrans-59.8-15.5-177.2-24.834.1000115.1P221 L227 I295 P296P221-P225 VanDerWaalsContact O-CA 3.28Å; P221-P225 WeakPolarHBondContact O-CA 3.47Å; P225-L227 VanDerWaalsContact C-N 3.31Å; P225-I295 HydrophobicContact CB-CG2 3.72Å; P225-P296 VanDerWaalsContact O-CD 3.29Å; P225-P296 WeakPolarHBondContact O-CD 3.28Å
226S91.9Very high96.7Very high16 Ų1629.5 Ų29.511%0.11216%0.164CC..THydrogen-bonded Turntrans-75.8-18.417771.90000114.4Q184 N224Q184-S226 PolarHBondContact NE2-OG 3.33Å; N224-S226 PolarHBondContact O-N 2.92Å; N224-S226 WeakPolarHBondContact OD1-CB 3.42Å; N224-S226 PolarHBondContact OD1-N 3.43Å; N224-S226 PolarHBondContact OD1-OG 3.23Å
227L95.2Very high96.7Very high2 Ų228.2 Ų28.21%0.0116%0.16CC..  trans-76.3129.6178.6-60.6-178.9000110.1V176 I186 L220 N224 P225 V229V176-L227 HydrophobicContact CG1-CD1 4.14Å; V176-L227 HydrophobicContact CG1-CD2 4.23Å; V176-L227 HydrophobicContact CG2-CD1 4.25Å; V176-L227 HydrophobicContact CG2-CD2 4.36Å; I186-L227 HydrophobicContact CB-CD2 3.67Å; I186-L227 HydrophobicContact CD1-CD2 3.92Å; I186-L227 HydrophobicContact CG1-CD2 4.39Å; I186-L227 HydrophobicContact CG2-CD2 3.78Å; L220-L227 HydrophobicContact CB-CD1 4.19Å; N224-L227 HydrophobicContact CB-CD1 3.88Å; N224-L227 HydrophobicContact CB-CG 3.92Å; N224-L227 WeakPolarHBondContact O-CB 3.35Å; N224-L227 PolarHBondContact O-N 3.04Å; P225-L227 VanDerWaalsContact C-N 3.31Å; L227-V229 HydrophobicContact CB-CG2 4.16Å
228A97.2Very high96.6Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-89.3124.2162.900000109.5I186 T187 I188 P296 W312I186-A228 PolarHBondContact O-N 2.82Å; T187-A228 CarbonylContact C-O 3.55Å; T187-A228 VanDerWaalsContact CA-O 3.32Å; T187-A228 WeakPolarHBondContact CA-O 3.41Å; T187-A228 HydrophobicContact CG2-CB 4.28Å; I188-A228 PolarHBondContact N-O 3.49Å; A228-P296 HydrophobicContact CB-CB 3.86Å; A228-P296 HydrophobicContact CB-CG 3.67Å; A228-W312 HydrophobicContact CB-CB 4.1Å; A228-W312 HydrophobicContact CB-CD2 4.41Å; A228-W312 HydrophobicContact CB-CE3 4.23Å; A228-W312 HydrophobicContact CB-CG 4.36Å
229V98.5Very high96.5Very high0 Ų029.5 Ų29.50%017%0.171CC..EExtended strand (participates in β ladder)trans-125.2123.6179.6-1720000110.1I188 F217 L220 P221 L227 V311 W312 G314I188-V229 HydrophobicContact CB-CG1 4.29Å; I188-V229 HydrophobicContact CB-CG2 4.19Å; I188-V229 HydrophobicContact CG1-CG2 4.41Å; I188-V229 CarbonylContact O-C 3.49Å; I188-V229 WeakPolarHBondContact O-CA 3.22Å; F217-V229 HydrophobicContact CB-CG1 3.74Å; F217-V229 HydrophobicContact CD1-CG1 4.04Å; F217-V229 HydrophobicContact CG-CG1 4.28Å; F217-V229 WeakPolarHBondContact O-CG1 3.26Å; L220-V229 HydrophobicContact CB-CG2 4.08Å; L220-V229 HydrophobicContact CD1-CG2 4.41Å; P221-V229 HydrophobicContact CG-CB 4.48Å; P221-V229 HydrophobicContact CG-CG2 4.36Å; L227-V229 HydrophobicContact CB-CG2 4.16Å; V229-V311 VanDerWaalsContact O-O 3.1Å; V229-W312 PolarHBondContact N-O 3.06Å; V229-W312 CarbonylContact O-C 3.56Å; V229-W312 WeakPolarHBondContact O-CA 3.34Å; V229-W312 VanDerWaalsContact O-O 3.09Å; V229-G314 VanDerWaalsContact O-CA 3.26Å; V229-G314 WeakPolarHBondContact O-CA 3.29Å; V229-G314 PolarHBondContact O-N 2.86Å
230L98.6Very high96.3Very high0 Ų032.3 Ų32.30%018%0.183CC..EExtended strand (participates in β ladder)trans-116.4123.6178.3173.964.5000109.9I188 V189 N190 L281 V311 W312 L317I188-L230 PolarHBondContact O-N 3.23Å; V189-L230 HydrophobicContact CG1-CD2 4.38Å; N190-L230 PolarHBondContact N-O 3.49Å; L230-L281 HydrophobicContact CD2-CD2 3.99Å; L230-V311 HydrophobicContact CD1-CG2 3.58Å; L230-W312 HydrophobicContact CB-CE3 4.23Å; L230-W312 HydrophobicContact CB-CZ3 3.96Å; L230-W312 HydrophobicContact CD2-CZ3 4.15Å; L230-W312 HydrophobicContact CG-CZ3 4.47Å; L230-L317 HydrophobicContact CD1-CB 3.92Å; L230-L317 HydrophobicContact CD1-CD2 4.13Å
231N98.6Very high96.1Very high0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-97.193168-79.1-57.5000109N190 G314 L315 R316 L317N190-N231 WeakPolarHBondContact CB-OD1 3.46Å; N190-N231 PolarHBondContact ND2-OD1 2.81Å; N190-N231 CarbonylContact O-C 3.59Å; N190-N231 WeakPolarHBondContact O-CA 3.22Å; N231-G314 PolarHBondContact ND2-O 3.31Å; N231-L315 PolarHBondContact N-O 3.39Å; N231-R316 CarbonylContact O-C 3.51Å; N231-R316 VanDerWaalsContact O-CA 3.26Å; N231-R316 WeakPolarHBondContact O-CA 3.5Å; N231-L317 PolarHBondContact O-N 3.47Å
232Y98.7Very high96.1Very high0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-92.4119.5-177.7-178.5-111000111.3F35 N190 I191 S192 P234 S273 C277 L317 Y319 A322F35-Y232 AromaticContact CE2-CE1 4Å; F35-Y232 HydrophobicContact CE2-CE1 4Å; F35-Y232 HydrophobicContact CZ-CD1 4.02Å; F35-Y232 AromaticContact CZ-CE1 3.88Å; F35-Y232 HydrophobicContact CZ-CE1 3.88Å; N190-Y232 PolarHBondContact O-N 3.27Å; I191-Y232 CarbonylContact C-O 3.49Å; I191-Y232 WeakPolarHBondContact CA-O 3.38Å; I191-Y232 HydrophobicContact CD1-CD1 4.28Å; S192-Y232 PolarHBondContact N-O 3.11Å; Y232-P234 HydrophobicContact CD1-CB 4.13Å; Y232-P234 HydrophobicContact CE1-CB 3.73Å; Y232-P234 WeakPolarHBondContact O-CD 3.3Å; Y232-S273 WeakPolarHBondContact CE1-OG 3.11Å; Y232-S273 PolarHBondContact OH-O 2.74Å; Y232-S273 PolarHBondContact OH-OG 3.08Å; Y232-C277 HydrophobicContact CD1-CB 3.78Å; Y232-C277 HydrophobicContact CD2-CB 4.26Å; Y232-C277 HydrophobicContact CE1-CB 3.6Å; Y232-C277 HydrophobicContact CE2-CB 4.12Å; Y232-C277 HydrophobicContact CG-CB 4.09Å; Y232-L317 CarbonylContact C-O 3.12Å; Y232-L317 WeakPolarHBondContact CA-O 3.31Å; Y232-L317 HydrophobicContact CD2-CB 4.42Å; Y232-L317 HydrophobicContact CD2-CD2 4.14Å; Y232-L317 HydrophobicContact CD2-CG 4.23Å; Y232-L317 WeakPolarHBondContact CD2-O 3.29Å; Y232-Y319 WeakPolarHBondContact OH-CD2 3.04Å; Y232-A322 HydrophobicContact CE2-CB 4.45Å
233S98.3Very high96.1Very high3 Ų333.3 Ų33.32%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-91.9109.5171.5170.90000108.6G235 L317 D318 Y319S233-G235 PolarHBondContact O-N 2.89Å; S233-L317 PolarHBondContact N-O 2.84Å; S233-D318 VanDerWaalsContact CB-OD2 3.32Å; S233-D318 WeakPolarHBondContact CB-OD2 3.46Å; S233-D318 PolarHBondContact OG-OD2 2.79Å; S233-Y319 PolarHBondContact O-N 2.82Å
234P98.1Very high96.1Very high13 Ų1330.6 Ų30.68%0.08417%0.166CC..  trans-79.2-1.8-16834.1-38.6000114.2F35 I191 Y232 L237 S273F35-P234 HydrophobicContact CD2-CB 4.05Å; F35-P234 HydrophobicContact CE2-CB 3.91Å; I191-P234 HydrophobicContact CG2-CB 4.48Å; I191-P234 HydrophobicContact CG2-CG 3.74Å; Y232-P234 HydrophobicContact CD1-CB 4.13Å; Y232-P234 HydrophobicContact CE1-CB 3.73Å; Y232-P234 WeakPolarHBondContact O-CD 3.3Å; P234-L237 HydrophobicContact CB-CD1 3.98Å; P234-L237 HydrophobicContact CB-CD2 4.22Å; P234-L237 HydrophobicContact CB-CG 4.25Å; P234-L237 HydrophobicContact CG-CD1 4.13Å; P234-L237 HydrophobicContact CG-CG 4.42Å; P234-L237 VanDerWaalsContact O-CD2 3.31Å; P234-L237 WeakPolarHBondContact O-CD2 3.5Å; P234-S273 VanDerWaalsContact CA-OG 3.27Å; P234-S273 WeakPolarHBondContact CA-OG 3.49Å; P234-S273 VanDerWaalsContact CB-OG 3.31Å; P234-S273 WeakPolarHBondContact CB-OG 2.94Å; P234-S273 PolarHBondContact O-OG 3.36Å
235G95.9Very high96.1Very high19 Ų1929.2 Ų29.220%0.19616%0.158CC..  trans74.5-178.2-169.700000113.5S233 L237S233-G235 PolarHBondContact O-N 2.89Å; G235-L237 PolarHBondContact O-N 3.08Å
236P96.1Very high96.3Very high25 Ų2528.6 Ų28.616%0.16215%0.153CC..SBendtrans-73.6105.5178.231.5-36.9000110.4M261 I267 I268 Y320P236-M261 HydrophobicContact CB-CE 4.08Å; P236-M261 HydrophobicContact CG-CE 3.57Å; P236-I267 HydrophobicContact CB-CD1 3.83Å; P236-I267 HydrophobicContact CG-CD1 4.23Å; P236-I267 WeakPolarHBondContact O-CG2 3.24Å; P236-I268 PolarHBondContact O-N 3.44Å; P236-Y320 WeakPolarHBondContact CD-OH 3.23Å
237L97.5Very high96.4Very high19 Ų1932.2 Ų32.210%0.09917%0.168CC..BIsolated β-bridgetrans-92.6143.5-172.7-58.5-178.3000113.5F35 P234 G235 T239 L242 I268F35-L237 HydrophobicContact CB-CD1 3.6Å; F35-L237 HydrophobicContact CD2-CD1 3.59Å; F35-L237 HydrophobicContact CG-CD1 3.95Å; P234-L237 HydrophobicContact CB-CD1 3.98Å; P234-L237 HydrophobicContact CB-CD2 4.22Å; P234-L237 HydrophobicContact CB-CG 4.25Å; P234-L237 HydrophobicContact CG-CD1 4.13Å; P234-L237 HydrophobicContact CG-CG 4.42Å; P234-L237 VanDerWaalsContact O-CD2 3.31Å; P234-L237 WeakPolarHBondContact O-CD2 3.5Å; G235-L237 PolarHBondContact O-N 3.08Å; L237-T239 VanDerWaalsContact C-N 3.29Å; L237-T239 HydrophobicContact CB-CG2 3.72Å; L237-T239 PolarHBondContact O-N 3.35Å; L237-T239 PolarHBondContact O-OG1 2.91Å; L237-L242 VanDerWaalsContact O-CB 3.31Å; L237-L242 WeakPolarHBondContact O-CB 3.49Å; L237-L242 WeakPolarHBondContact O-CD2 3.35Å; L237-I268 CarbonylContact C-O 3.52Å; L237-I268 VanDerWaalsContact CA-O 3.31Å; L237-I268 WeakPolarHBondContact CA-O 3.24Å; L237-I268 HydrophobicContact CD2-CB 4.07Å; L237-I268 HydrophobicContact CD2-CG2 4.2Å
238N96.6Very high96.4Very high66 Ų6635.4 Ų35.435%0.35319%0.185SC..SBendtrans-69.183.6171.5-169.715.7000110.5I267 I268 E269N238-I267 VanDerWaalsContact CA-CG2 3.5Å; N238-I267 HydrophobicContact CB-CG2 3.66Å; N238-I268 PolarHBondContact N-O 3.33Å; N238-E269 WeakPolarHBondContact CB-OE1 3.47Å; N238-E269 PolarHBondContact ND2-OE1 3.03Å
239T96.2Very high96.4Very high30 Ų3035.6 Ų35.618%0.18419%0.186CC..SBendtrans-140.6166.5-174.361.80000111.1L237 M241 L242 K243 P270L237-T239 VanDerWaalsContact C-N 3.29Å; L237-T239 HydrophobicContact CB-CG2 3.72Å; L237-T239 PolarHBondContact O-N 3.35Å; L237-T239 PolarHBondContact O-OG1 2.91Å; T239-M241 PolarHBondContact O-N 3.46Å; T239-M241 PolarHBondContact OG1-N 3.44Å; T239-L242 PolarHBondContact O-N 2.99Å; T239-L242 VanDerWaalsContact O-N 3.12Å; T239-L242 PolarHBondContact OG1-N 3.4Å; T239-K243 PolarHBondContact O-N 3.14Å; T239-K243 VanDerWaalsContact O-N 3.15Å; T239-P270 HydrophobicContact CG2-CG 3.77Å
240N94.6Very high96.2Very high110 Ų11037.7 Ų37.759%0.58821%0.207SC*.Hα-helixtrans-59.5-29172.5-67.9-4.7000112.5K243 E244N240-K243 WeakPolarHBondContact O-CB 3.44Å; N240-K243 PolarHBondContact O-N 3.06Å; N240-E244 PolarHBondContact O-N 2.93Å
241M94.3Very high96Very high65 Ų6539.9 Ų39.932%0.3222%0.219SC..Hα-helixtrans-63-43.4175.6-175.3175.1-77.600111.3L141 T239 K243 E244 L245L141-M241 HydrophobicContact CD1-CG 3.63Å; L141-M241 WeakPolarHBondContact CD1-O 3.4Å; L141-M241 HydrophobicContact CD2-CG 3.68Å; L141-M241 HydrophobicContact CD2-SD 3.93Å; L141-M241 HydrophobicContact CG-CE 4.3Å; L141-M241 HydrophobicContact CG-CG 3.56Å; L141-M241 HydrophobicContact CG-SD 4.12Å; T239-M241 PolarHBondContact O-N 3.46Å; T239-M241 PolarHBondContact OG1-N 3.44Å; M241-K243 VanDerWaalsContact C-N 3.34Å; M241-E244 PolarHBondContact O-N 3.02Å; M241-L245 WeakPolarHBondContact O-CB 3.47Å; M241-L245 PolarHBondContact O-N 3.24Å
242L95.1Very high95.8Very high11 Ų1145.4 Ų45.46%0.05825%0.248CC..Hα-helixtrans-65.4-38.6174.3177.968.2000111.7L237 T239 L245 I246 F258 I267L237-L242 VanDerWaalsContact O-CB 3.31Å; L237-L242 WeakPolarHBondContact O-CB 3.49Å; L237-L242 WeakPolarHBondContact O-CD2 3.35Å; T239-L242 PolarHBondContact O-N 2.99Å; T239-L242 VanDerWaalsContact O-N 3.12Å; T239-L242 PolarHBondContact OG1-N 3.4Å; L242-L245 HydrophobicContact CD1-CD2 4.47Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 3.11Å; L242-I246 HydrophobicContact CD1-CD1 4.25Å; L242-I246 HydrophobicContact CD1-CG1 4.47Å; L242-I246 HydrophobicContact CG-CD1 3.99Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.38Å; L242-F258 HydrophobicContact CD1-CB 4.2Å; L242-F258 HydrophobicContact CD1-CD1 3.6Å; L242-F258 HydrophobicContact CD1-CE1 4.27Å; L242-F258 HydrophobicContact CD1-CG 4.09Å; L242-I267 HydrophobicContact CD1-CD1 4.36Å; L242-I267 HydrophobicContact CD2-CB 4.34Å; L242-I267 HydrophobicContact CD2-CD1 3.54Å; L242-I267 HydrophobicContact CD2-CG1 3.81Å; L242-I267 HydrophobicContact CD2-CG2 3.56Å
243K95.2Very high95.7Very high103 Ų10351.4 Ų51.445%0.44828%0.276SS..Hα-helixtrans-59.9-48.4176-176.3-177.6174.7-175.70111.1T239 N240 M241 L245 I246 E247T239-K243 PolarHBondContact O-N 3.14Å; T239-K243 VanDerWaalsContact O-N 3.15Å; N240-K243 WeakPolarHBondContact O-CB 3.44Å; N240-K243 PolarHBondContact O-N 3.06Å; M241-K243 VanDerWaalsContact C-N 3.34Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 2.9Å; K243-I246 PolarHBondContact O-N 3.31Å; K243-E247 VanDerWaalsContact CE-CD 3.41Å; K243-E247 WeakPolarHBondContact CE-OE1 3.24Å; K243-E247 WeakPolarHBondContact CE-OE2 3.31Å; K243-E247 HydrophobicContact CG-CG 4.4Å; K243-E247 IonicContact NZ-OE1 3.83Å; K243-E247 WeakPolarHBondContact O-CB 3.32Å; K243-E247 WeakPolarHBondContact O-CG 3.35Å; K243-E247 PolarHBondContact O-N 2.82Å
244E95.5Very high95.5Very high83 Ų8351.5 Ų51.539%0.38828%0.276SS..Hα-helixtrans-58.6-42.2175.8-173.1-179.4161.200111.3L141 N240 M241 I246 E247 N248L141-E244 HydrophobicContact CD1-CB 4.03Å; L141-E244 HydrophobicContact CD1-CG 4.02Å; N240-E244 PolarHBondContact O-N 2.93Å; M241-E244 PolarHBondContact O-N 3.02Å; E244-I246 PolarHBondContact O-N 3.01Å; E244-E247 PolarHBondContact O-N 3.37Å; E244-N248 VanDerWaalsContact O-CB 3.23Å; E244-N248 WeakPolarHBondContact O-CB 3.44Å; E244-N248 PolarHBondContact O-N 3.48Å
245L94.3Very high95.4Very high12 Ų1255 Ų556%0.06329%0.288CS..Hα-helixtrans-60.1-46.2175.6-164.272.5000112.1L141 I144 M203 M241 L242 K243 E247 H249 F258L141-L245 HydrophobicContact CD2-CD1 4.42Å; I144-L245 HydrophobicContact CD1-CD1 4.23Å; I144-L245 HydrophobicContact CG2-CD1 4.45Å; M203-L245 HydrophobicContact CE-CD1 3.73Å; M203-L245 HydrophobicContact SD-CD1 3.85Å; M241-L245 WeakPolarHBondContact O-CB 3.47Å; M241-L245 PolarHBondContact O-N 3.24Å; L242-L245 HydrophobicContact CD1-CD2 4.47Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 3.11Å; K243-L245 VanDerWaalsContact C-N 3.29Å; K243-L245 PolarHBondContact O-N 2.9Å; L245-E247 PolarHBondContact O-N 3.21Å; L245-H249 WeakPolarHBondContact O-CB 3.47Å; L245-H249 PolarHBondContact O-N 2.97Å; L245-F258 HydrophobicContact CD2-CD1 4.18Å; L245-F258 HydrophobicContact CD2-CD2 3.49Å; L245-F258 VanDerWaalsContact CD2-CD2 3.49Å; L245-F258 HydrophobicContact CD2-CE1 3.96Å; L245-F258 HydrophobicContact CD2-CE2 3.26Å; L245-F258 HydrophobicContact CD2-CG 3.97Å; L245-F258 HydrophobicContact CD2-CZ 3.51Å; L245-F258 HydrophobicContact CG-CD2 4.09Å; L245-F258 HydrophobicContact CG-CE2 4.14Å
246I94.9Very high95.4Very high23 Ų2357.9 Ų57.912%0.11830%0.299CS..Hα-helixtrans-65.4-39.7178.5-71.6167.6000111.8L242 K243 E244 R255 F258 S259 K262L242-I246 HydrophobicContact CD1-CD1 4.25Å; L242-I246 HydrophobicContact CD1-CG1 4.47Å; L242-I246 HydrophobicContact CG-CD1 3.99Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.38Å; K243-I246 PolarHBondContact O-N 3.31Å; E244-I246 PolarHBondContact O-N 3.01Å; I246-R255 WeakPolarHBondContact O-CG 3.48Å; I246-R255 PolarHBondContact O-NE 3.3Å; I246-R255 PolarHBondContact O-NH2 2.84Å; I246-F258 HydrophobicContact CD1-CB 4.2Å; I246-F258 HydrophobicContact CG1-CB 3.61Å; I246-S259 VanDerWaalsContact CG2-OG 3.28Å; I246-S259 WeakPolarHBondContact CG2-OG 3.44Å; I246-K262 HydrophobicContact CD1-CD 4.12Å
247E95.3Very high95.3Very high92 Ų9260.7 Ų60.743%0.4331%0.31SS..Hα-helixtrans-82.2-33.5-172.8-72175.8172.500113K243 E244 L245 R255K243-E247 VanDerWaalsContact CE-CD 3.41Å; K243-E247 WeakPolarHBondContact CE-OE1 3.24Å; K243-E247 WeakPolarHBondContact CE-OE2 3.31Å; K243-E247 HydrophobicContact CG-CG 4.4Å; K243-E247 IonicContact NZ-OE1 3.83Å; K243-E247 WeakPolarHBondContact O-CB 3.32Å; K243-E247 WeakPolarHBondContact O-CG 3.35Å; K243-E247 PolarHBondContact O-N 2.82Å; E244-E247 PolarHBondContact O-N 3.37Å; L245-E247 PolarHBondContact O-N 3.21Å; E247-R255 PolarHBondContact O-NH1 3Å; E247-R255 PolarHBondContact O-NH2 3.42Å
248N95.4Very high95.2Very high70 Ų7061.5 Ų61.537%0.37431%0.312SS..Hα-helixtrans-118.6-15.8-163.7-64.8-37.2000114I144 H145 E244 G250I144-N248 HydrophobicContact CD1-CB 4.19Å; H145-N248 PolarHBondContact CE1-O 3.26Å; H145-N248 PolarHBondContact ND1-O 3.48Å; E244-N248 VanDerWaalsContact O-CB 3.23Å; E244-N248 WeakPolarHBondContact O-CB 3.44Å; E244-N248 PolarHBondContact O-N 3.48Å; N248-G250 PolarHBondContact O-N 3.39Å
249H96.1Very high95.1Very high4 Ų460 Ų602%0.01931%0.308CS..  trans-57.3137.8-173.6-169.9-83.9000114.2I144 P201 M203 L245 N251 R255I144-H249 HydrophobicContact CD1-CB 4.34Å; P201-H249 PolarHBondContact O-CE1 3.27Å; P201-H249 PolarHBondContact O-NE2 3.18Å; M203-H249 WeakPolarHBondContact CG-NE2 3.49Å; L245-H249 WeakPolarHBondContact O-CB 3.47Å; L245-H249 PolarHBondContact O-N 2.97Å; H249-N251 VanDerWaalsContact C-N 3.28Å; H249-N251 WeakPolarHBondContact ND1-CB 3.5Å; H249-N251 PolarHBondContact ND1-N 2.94Å; H249-N251 PolarHBondContact ND1-O 3.36Å; H249-N251 PolarHBondContact O-N 2.88Å; H249-R255 HydrophobicContact CB-CG 3.76Å; H249-R255 WeakPolarHBondContact O-CD 3.38Å
250G94.7Very high95.1Very high43 Ų4363.9 Ų63.944%0.44332%0.324SS..SBendtrans-71.7-19.9-173.400000114.7I144 H145 N248I144-G250 PolarHBondContact O-N 2.72Å; H145-G250 WeakPolarHBondContact O-CA 3.49Å; N248-G250 PolarHBondContact O-N 3.39Å
251N95.2Very high95Very high47 Ų4761.1 Ų61.125%0.25131%0.308SS..  trans-97.3118.5172.9-175.3-73.9000111P201 H249 Q253 T254 R255P201-N251 HydrophobicContact CB-CB 4.11Å; P201-N251 HydrophobicContact CG-CB 3.97Å; H249-N251 VanDerWaalsContact C-N 3.28Å; H249-N251 WeakPolarHBondContact ND1-CB 3.5Å; H249-N251 PolarHBondContact ND1-N 2.94Å; H249-N251 PolarHBondContact ND1-O 3.36Å; H249-N251 PolarHBondContact O-N 2.88Å; N251-Q253 WeakPolarHBondContact OD1-CA 3.4Å; N251-Q253 VanDerWaalsContact OD1-CB 3.3Å; N251-Q253 WeakPolarHBondContact OD1-CB 3.44Å; N251-Q253 PolarHBondContact OD1-N 2.83Å; N251-T254 PolarHBondContact O-N 3.22Å; N251-T254 PolarHBondContact OD1-N 2.89Å; N251-T254 PolarHBondContact OD1-OG1 3.47Å; N251-R255 PolarHBondContact O-N 3Å
252L94.6Very high95Very high116 Ų11663 Ų6361%0.60731%0.314SS*.Hα-helixtrans-64.8-37.8-178.9-177.963.1000113.2R255 N256L252-R255 WeakPolarHBondContact O-CB 3.45Å; L252-R255 PolarHBondContact O-N 3.15Å; L252-N256 PolarHBondContact O-N 3.37Å
253Q95.8Very high94.9Very high126 Ų12669.9 Ų69.959%0.58935%0.348SS*.Hα-helixtrans-62.2-46.1178.4177.9-177.8-12.800110.6N251 R255 N256 E257N251-Q253 WeakPolarHBondContact OD1-CA 3.4Å; N251-Q253 VanDerWaalsContact OD1-CB 3.3Å; N251-Q253 WeakPolarHBondContact OD1-CB 3.44Å; N251-Q253 PolarHBondContact OD1-N 2.83Å; Q253-R255 VanDerWaalsContact C-N 3.31Å; Q253-R255 PolarHBondContact O-N 3.5Å; Q253-N256 WeakPolarHBondContact O-CB 3.44Å; Q253-N256 PolarHBondContact O-N 3.49Å; Q253-N256 VanDerWaalsContact O-N 3.11Å; Q253-E257 HydrophobicContact CG-CG 4.44Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.34Å; Q253-E257 PolarHBondContact NE2-OE1 3.16Å; Q253-E257 WeakPolarHBondContact O-CG 3.26Å; Q253-E257 PolarHBondContact O-N 2.77Å
254T94.5Very high94.9Very high5 Ų570.1 Ų70.13%0.03135%0.354CS..Hα-helixtrans-59.2-40.1175.5-55.50000112.1P201 N251 N256 E257 F258P201-T254 WeakPolarHBondContact CG-OG1 3.28Å; N251-T254 PolarHBondContact O-N 3.22Å; N251-T254 PolarHBondContact OD1-N 2.89Å; N251-T254 PolarHBondContact OD1-OG1 3.47Å; T254-N256 VanDerWaalsContact C-N 3.33Å; T254-N256 PolarHBondContact O-N 3.24Å; T254-E257 PolarHBondContact O-N 3.34Å; T254-F258 HydrophobicContact CG2-CD2 3.72Å; T254-F258 HydrophobicContact CG2-CE2 3.56Å; T254-F258 VanDerWaalsContact O-CD2 3.24Å; T254-F258 WeakPolarHBondContact O-CD2 3.26Å; T254-F258 PolarHBondContact O-N 2.94Å; T254-F258 VanDerWaalsContact O-N 3.08Å
255R94.9Very high94.8Very high86 Ų8669.3 Ų69.333%0.32537%0.368SS..Hα-helixtrans-60.5-43.8174.7-66.9175.562.8164.64.6112I246 E247 H249 N251 L252 Q253 S259I246-R255 WeakPolarHBondContact O-CG 3.48Å; I246-R255 PolarHBondContact O-NE 3.3Å; I246-R255 PolarHBondContact O-NH2 2.84Å; E247-R255 PolarHBondContact O-NH1 3Å; E247-R255 PolarHBondContact O-NH2 3.42Å; H249-R255 HydrophobicContact CB-CG 3.76Å; H249-R255 WeakPolarHBondContact O-CD 3.38Å; N251-R255 PolarHBondContact O-N 3Å; L252-R255 WeakPolarHBondContact O-CB 3.45Å; L252-R255 PolarHBondContact O-N 3.15Å; Q253-R255 VanDerWaalsContact C-N 3.31Å; Q253-R255 PolarHBondContact O-N 3.5Å; R255-S259 WeakPolarHBondContact O-CB 3.27Å; R255-S259 PolarHBondContact O-N 2.95Å; R255-S259 PolarHBondContact O-OG 3.15Å
256N96.1Very high94.8Very high79 Ų7974.8 Ų74.842%0.42239%0.391SS..Hα-helixtrans-65.9-44.6179.2-67.3-14.7000111L252 Q253 T254 F258 S259 E260L252-N256 PolarHBondContact O-N 3.37Å; Q253-N256 WeakPolarHBondContact O-CB 3.44Å; Q253-N256 PolarHBondContact O-N 3.49Å; Q253-N256 VanDerWaalsContact O-N 3.11Å; T254-N256 VanDerWaalsContact C-N 3.33Å; T254-N256 PolarHBondContact O-N 3.24Å; N256-F258 PolarHBondContact O-N 2.95Å; N256-S259 WeakPolarHBondContact O-CB 3.39Å; N256-S259 PolarHBondContact O-N 3.16Å; N256-S259 VanDerWaalsContact O-N 3.14Å; N256-E260 WeakPolarHBondContact O-CB 3.34Å; N256-E260 WeakPolarHBondContact O-CG 3.5Å; N256-E260 PolarHBondContact O-N 3.43Å
257E95Very high94.8Very high85 Ų8574.9 Ų74.940%0.39739%0.392SS..Hα-helixtrans-56.8-49.4176.8-72.9168.2-178.500111.7Q253 T254 S259 E260 M261Q253-E257 HydrophobicContact CG-CG 4.44Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.34Å; Q253-E257 PolarHBondContact NE2-OE1 3.16Å; Q253-E257 WeakPolarHBondContact O-CG 3.26Å; Q253-E257 PolarHBondContact O-N 2.77Å; T254-E257 PolarHBondContact O-N 3.34Å; E257-S259 VanDerWaalsContact C-N 3.33Å; E257-S259 PolarHBondContact O-N 3.32Å; E257-E260 PolarHBondContact O-N 3.14Å; E257-M261 VanDerWaalsContact O-CG 3.26Å; E257-M261 WeakPolarHBondContact O-CG 3.3Å; E257-M261 PolarHBondContact O-N 2.91Å
258F93.9Very high94.9Very high35 Ų3571 Ų7115%0.15437%0.374CS..Hα-helixtrans-67.5-32.4177-77.5-67.9000113.1L242 L245 I246 T254 N256 M261 K262L242-F258 HydrophobicContact CD1-CB 4.2Å; L242-F258 HydrophobicContact CD1-CD1 3.6Å; L242-F258 HydrophobicContact CD1-CE1 4.27Å; L242-F258 HydrophobicContact CD1-CG 4.09Å; L245-F258 HydrophobicContact CD2-CD1 4.18Å; L245-F258 HydrophobicContact CD2-CD2 3.49Å; L245-F258 VanDerWaalsContact CD2-CD2 3.49Å; L245-F258 HydrophobicContact CD2-CE1 3.96Å; L245-F258 HydrophobicContact CD2-CE2 3.26Å; L245-F258 HydrophobicContact CD2-CG 3.97Å; L245-F258 HydrophobicContact CD2-CZ 3.51Å; L245-F258 HydrophobicContact CG-CD2 4.09Å; L245-F258 HydrophobicContact CG-CE2 4.14Å; I246-F258 HydrophobicContact CD1-CB 4.2Å; I246-F258 HydrophobicContact CG1-CB 3.61Å; T254-F258 HydrophobicContact CG2-CD2 3.72Å; T254-F258 HydrophobicContact CG2-CE2 3.56Å; T254-F258 VanDerWaalsContact O-CD2 3.24Å; T254-F258 WeakPolarHBondContact O-CD2 3.26Å; T254-F258 PolarHBondContact O-N 2.94Å; T254-F258 VanDerWaalsContact O-N 3.08Å; N256-F258 PolarHBondContact O-N 2.95Å; F258-M261 HydrophobicContact CD1-SD 4.11Å; F258-M261 HydrophobicContact CE1-SD 4.37Å; F258-K262 WeakPolarHBondContact O-CB 3.33Å; F258-K262 PolarHBondContact O-N 3.42Å
259S94.9Very high95.1Very high36 Ų3672.7 Ų72.725%0.25238%0.379SS..Hα-helixtrans-66.1-44.4174.2-600000111.5I246 R255 N256 E257 K262 M263I246-S259 VanDerWaalsContact CG2-OG 3.28Å; I246-S259 WeakPolarHBondContact CG2-OG 3.44Å; R255-S259 WeakPolarHBondContact O-CB 3.27Å; R255-S259 PolarHBondContact O-N 2.95Å; R255-S259 PolarHBondContact O-OG 3.15Å; N256-S259 WeakPolarHBondContact O-CB 3.39Å; N256-S259 PolarHBondContact O-N 3.16Å; N256-S259 VanDerWaalsContact O-N 3.14Å; E257-S259 VanDerWaalsContact C-N 3.33Å; E257-S259 PolarHBondContact O-N 3.32Å; S259-K262 WeakPolarHBondContact O-CB 3.45Å; S259-K262 PolarHBondContact O-N 3.3Å; S259-M263 WeakPolarHBondContact O-CG 3.07Å; S259-M263 PolarHBondContact O-N 3.15Å
260E96.2Very high95.2Very high111 Ų11173 Ų7352%0.51938%0.382SS..Hα-helixtrans-64.8-41.5175.7-74.4179.1-168.300111.6N256 E257 K262 M263 N264N256-E260 WeakPolarHBondContact O-CB 3.34Å; N256-E260 WeakPolarHBondContact O-CG 3.5Å; N256-E260 PolarHBondContact O-N 3.43Å; E257-E260 PolarHBondContact O-N 3.14Å; E260-K262 VanDerWaalsContact C-N 3.26Å; E260-K262 PolarHBondContact O-N 3.01Å; E260-M263 PolarHBondContact O-N 3.46Å; E260-N264 VanDerWaalsContact O-CB 3.25Å; E260-N264 WeakPolarHBondContact O-CB 3.45Å; E260-N264 VanDerWaalsContact O-CG 3.25Å; E260-N264 PolarHBondContact O-N 3.43Å; E260-N264 PolarHBondContact O-ND2 3.42Å
261M94.1Very high95.3Very high52 Ų5274.5 Ų74.526%0.25638%0.38SS..Hα-helixtrans-57.7-41.9173.3-72.5175.974.900111.4P236 E257 F258 N264 G265 K266 I267P236-M261 HydrophobicContact CB-CE 4.08Å; P236-M261 HydrophobicContact CG-CE 3.57Å; E257-M261 VanDerWaalsContact O-CG 3.26Å; E257-M261 WeakPolarHBondContact O-CG 3.3Å; E257-M261 PolarHBondContact O-N 2.91Å; F258-M261 HydrophobicContact CD1-SD 4.11Å; F258-M261 HydrophobicContact CE1-SD 4.37Å; M261-N264 PolarHBondContact O-N 2.95Å; M261-G265 PolarHBondContact O-N 3.17Å; M261-K266 HydrophobicContact CB-CB 4.18Å; M261-K266 HydrophobicContact CG-CB 4.47Å; M261-K266 WeakPolarHBondContact O-CB 3.35Å; M261-K266 PolarHBondContact O-N 2.94Å; M261-I267 HydrophobicContact CB-CD1 3.87Å; M261-I267 HydrophobicContact CB-CG1 4.44Å
262K92.5Very high95.5Very high105 Ų10575.1 Ų75.146%0.45738%0.381SS..Hα-helixtrans-64.7-45.9176.2-170.7174.3-179.6176.60112.5I246 F258 S259 E260 N264 G265 I267I246-K262 HydrophobicContact CD1-CD 4.12Å; F258-K262 WeakPolarHBondContact O-CB 3.33Å; F258-K262 PolarHBondContact O-N 3.42Å; S259-K262 WeakPolarHBondContact O-CB 3.45Å; S259-K262 PolarHBondContact O-N 3.3Å; E260-K262 VanDerWaalsContact C-N 3.26Å; E260-K262 PolarHBondContact O-N 3.01Å; K262-N264 VanDerWaalsContact C-N 3.31Å; K262-N264 PolarHBondContact O-N 3.15Å; K262-G265 PolarHBondContact O-N 2.82Å; K262-I267 VanDerWaalsContact CA-CG1 3.45Å; K262-I267 HydrophobicContact CB-CG1 3.88Å; K262-I267 HydrophobicContact CG-CG1 4.31Å
263M94.2Very high95.7Very high155 Ų15569.6 Ų69.676%0.76435%0.352SS*.Hα-helixtrans-64.3-36177.8-74.4172.641.800112.9S259 E260 G265S259-M263 WeakPolarHBondContact O-CG 3.07Å; S259-M263 PolarHBondContact O-N 3.15Å; E260-M263 PolarHBondContact O-N 3.46Å; M263-G265 VanDerWaalsContact C-N 3.29Å; M263-G265 PolarHBondContact O-N 2.79Å
264N95.9Very high95.8Very high107 Ų10763.6 Ų63.657%0.57232%0.324SS*.THydrogen-bonded Turntrans-88.812.7-176.5-66.1-35.8000113.6E260 M261 K262 K266E260-N264 VanDerWaalsContact O-CB 3.25Å; E260-N264 WeakPolarHBondContact O-CB 3.45Å; E260-N264 VanDerWaalsContact O-CG 3.25Å; E260-N264 PolarHBondContact O-N 3.43Å; E260-N264 PolarHBondContact O-ND2 3.42Å; M261-N264 PolarHBondContact O-N 2.95Å; K262-N264 VanDerWaalsContact C-N 3.31Å; K262-N264 PolarHBondContact O-N 3.15Å; N264-K266 HydrophobicContact CB-CG 4.36Å; N264-K266 PolarHBondContact O-N 3.06Å
265G92.2Very high96Very high66 Ų6668.9 Ų68.968%0.6834%0.344SS*.THydrogen-bonded Turntrans6622.9177.800000114.5M261 K262 M263 I267M261-G265 PolarHBondContact O-N 3.17Å; K262-G265 PolarHBondContact O-N 2.82Å; M263-G265 VanDerWaalsContact C-N 3.29Å; M263-G265 PolarHBondContact O-N 2.79Å; G265-I267 VanDerWaalsContact C-N 3.32Å
266K94Very high96.1Very high127 Ų12764.9 Ų64.955%0.55233%0.328SS*.  trans-89.94.7179.2-63-175.1177.1179.30113.5M261 N264 Y320M261-K266 HydrophobicContact CB-CB 4.18Å; M261-K266 HydrophobicContact CG-CB 4.47Å; M261-K266 WeakPolarHBondContact O-CB 3.35Å; M261-K266 PolarHBondContact O-N 2.94Å; N264-K266 HydrophobicContact CB-CG 4.36Å; N264-K266 PolarHBondContact O-N 3.06Å; K266-Y320 PolarHBondContact O-OH 3.45Å
267I96.3Very high96.2Very high25 Ų2561.1 Ų61.113%0.12831%0.308CS..SBendtrans-94132.6176.6-59.3-57.5000108.8P236 N238 L242 M261 K262 G265P236-I267 HydrophobicContact CB-CD1 3.83Å; P236-I267 HydrophobicContact CG-CD1 4.23Å; P236-I267 WeakPolarHBondContact O-CG2 3.24Å; N238-I267 VanDerWaalsContact CA-CG2 3.5Å; N238-I267 HydrophobicContact CB-CG2 3.66Å; L242-I267 HydrophobicContact CD1-CD1 4.36Å; L242-I267 HydrophobicContact CD2-CB 4.34Å; L242-I267 HydrophobicContact CD2-CD1 3.54Å; L242-I267 HydrophobicContact CD2-CG1 3.81Å; L242-I267 HydrophobicContact CD2-CG2 3.56Å; M261-I267 HydrophobicContact CB-CD1 3.87Å; M261-I267 HydrophobicContact CB-CG1 4.44Å; K262-I267 VanDerWaalsContact CA-CG1 3.45Å; K262-I267 HydrophobicContact CB-CG1 3.88Å; K262-I267 HydrophobicContact CG-CG1 4.31Å; G265-I267 VanDerWaalsContact C-N 3.32Å
268I97.4Very high96.4Very high11 Ų1157.2 Ų57.26%0.05629%0.29CS..BIsolated β-bridgetrans-92.7138.9-173.2-57.5151.1000109.5P236 L237 N238 E272 Y319 Y320P236-I268 PolarHBondContact O-N 3.44Å; L237-I268 CarbonylContact C-O 3.52Å; L237-I268 VanDerWaalsContact CA-O 3.31Å; L237-I268 WeakPolarHBondContact CA-O 3.24Å; L237-I268 HydrophobicContact CD2-CB 4.07Å; L237-I268 HydrophobicContact CD2-CG2 4.2Å; N238-I268 PolarHBondContact N-O 3.33Å; I268-E272 HydrophobicContact CG2-CB 4.1Å; I268-E272 HydrophobicContact CG2-CG 4.29Å; I268-Y319 HydrophobicContact CD1-CD1 3.22Å; I268-Y319 HydrophobicContact CD1-CD2 4.38Å; I268-Y319 HydrophobicContact CD1-CE1 3.42Å; I268-Y319 VanDerWaalsContact CD1-CE1 3.42Å; I268-Y319 HydrophobicContact CD1-CG 3.74Å; I268-Y319 HydrophobicContact CG1-CD1 4.06Å; I268-Y319 HydrophobicContact CG1-CE1 3.7Å; I268-Y319 HydrophobicContact CG2-CD2 4.44Å; I268-Y319 HydrophobicContact CG2-CE1 4.29Å; I268-Y319 HydrophobicContact CG2-CE2 3.89Å; I268-Y320 HydrophobicContact CD1-CE1 4.25Å
269E98Very high96.4Very high105 Ų10556.5 Ų56.549%0.49129%0.293SS..PPolyproline II helixtrans-70.8136.1172.1-72-56.713900110.8N238 N271 E272 S273N238-E269 WeakPolarHBondContact CB-OE1 3.47Å; N238-E269 PolarHBondContact ND2-OE1 3.03Å; E269-N271 PolarHBondContact O-N 3.37Å; E269-N271 VanDerWaalsContact O-N 3.14Å; E269-E272 HydrophobicContact CB-CB 4.4Å; E269-E272 WeakPolarHBondContact O-CB 3.26Å; E269-E272 PolarHBondContact O-N 3.03Å; E269-S273 PolarHBondContact O-N 3.12Å
270P98.5Very high96.5Very high12 Ų1254.8 Ų54.88%0.07828%0.281CS..Hα-helixtrans-52.4-39.3-178.6-30.637.1000114.3A38 T239 E272 A274A38-P270 VanDerWaalsContact CB-C 3.48Å; A38-P270 HydrophobicContact CB-CB 3.61Å; T239-P270 HydrophobicContact CG2-CG 3.77Å; P270-E272 VanDerWaalsContact C-N 3.33Å; P270-E272 PolarHBondContact O-N 3.2Å; P270-A274 VanDerWaalsContact O-CB 3.29Å; P270-A274 WeakPolarHBondContact O-CB 3.18Å; P270-A274 PolarHBondContact O-N 2.97Å
271N98.1Very high96.5Very high73 Ų7349.5 Ų49.539%0.3926%0.256SS..Hα-helixtrans-65.4-36.7178.3-66.723.2000111.8A38 E42 E269 A274 R275A38-N271 WeakPolarHBondContact CB-OD1 3.24Å; E42-N271 HydrophobicContact CG-CB 4.35Å; E269-N271 PolarHBondContact O-N 3.37Å; E269-N271 VanDerWaalsContact O-N 3.14Å; N271-A274 PolarHBondContact O-N 2.98Å; N271-R275 WeakPolarHBondContact O-CG 3.49Å; N271-R275 PolarHBondContact O-N 3.23Å
272E98.1Very high96.5Very high61 Ų6150 Ų5029%0.28526%0.257SS..Hα-helixtrans-63.8-52.1178.3-17760.3-161.900110.8I268 E269 P270 A274 R275 V276 Y319I268-E272 HydrophobicContact CG2-CB 4.1Å; I268-E272 HydrophobicContact CG2-CG 4.29Å; E269-E272 HydrophobicContact CB-CB 4.4Å; E269-E272 WeakPolarHBondContact O-CB 3.26Å; E269-E272 PolarHBondContact O-N 3.03Å; P270-E272 VanDerWaalsContact C-N 3.33Å; P270-E272 PolarHBondContact O-N 3.2Å; E272-A274 VanDerWaalsContact C-N 3.27Å; E272-A274 PolarHBondContact O-N 3.24Å; E272-R275 PolarHBondContact O-N 3.32Å; E272-R275 IonicContact OE1-NH2 3.61Å; E272-R275 PolarHBondContact OE1-NH2 3.48Å; E272-R275 IonicContact OE2-CZ 3.92Å; E272-R275 IonicContact OE2-NE 3.71Å; E272-R275 PolarHBondContact OE2-NE 3.09Å; E272-R275 IonicContact OE2-NH2 2.67Å; E272-R275 PolarHBondContact OE2-NH2 3.2Å; E272-V276 WeakPolarHBondContact O-CG2 3.43Å; E272-V276 PolarHBondContact O-N 2.94Å; E272-Y319 HydrophobicContact CG-CE2 4.17Å; E272-Y319 WeakPolarHBondContact CG-OH 3.16Å
273S98.6Very high96.6Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-63-35.2178.1-169.80000112.2Y232 P234 E269 V276 C277Y232-S273 WeakPolarHBondContact CE1-OG 3.11Å; Y232-S273 PolarHBondContact OH-O 2.74Å; Y232-S273 PolarHBondContact OH-OG 3.08Å; P234-S273 VanDerWaalsContact CA-OG 3.27Å; P234-S273 WeakPolarHBondContact CA-OG 3.49Å; P234-S273 VanDerWaalsContact CB-OG 3.31Å; P234-S273 WeakPolarHBondContact CB-OG 2.94Å; P234-S273 PolarHBondContact O-OG 3.36Å; E269-S273 PolarHBondContact O-N 3.12Å; S273-V276 PolarHBondContact O-N 3.49Å; S273-C277 PolarHBondContact O-N 3.4Å
274A98.7Very high96.6Very high0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-63.5-46.717400000112.4F35 A38 F39 E42 P270 N271 E272 V276 C277 I278F35-A274 HydrophobicContact CE2-CB 4.19Å; F35-A274 HydrophobicContact CZ-CB 4.49Å; A38-A274 HydrophobicContact CB-CB 4.17Å; F39-A274 HydrophobicContact CB-CB 4.22Å; E42-A274 HydrophobicContact CB-CB 4.26Å; E42-A274 HydrophobicContact CG-CB 4.15Å; P270-A274 VanDerWaalsContact O-CB 3.29Å; P270-A274 WeakPolarHBondContact O-CB 3.18Å; P270-A274 PolarHBondContact O-N 2.97Å; N271-A274 PolarHBondContact O-N 2.98Å; E272-A274 VanDerWaalsContact C-N 3.27Å; E272-A274 PolarHBondContact O-N 3.24Å; A274-V276 VanDerWaalsContact C-N 3.29Å; A274-V276 PolarHBondContact O-N 3.22Å; A274-C277 WeakPolarHBondContact O-CB 3.38Å; A274-C277 PolarHBondContact O-N 3.27Å; A274-I278 WeakPolarHBondContact O-CD1 3.44Å; A274-I278 WeakPolarHBondContact O-CG1 3.45Å; A274-I278 PolarHBondContact O-N 3.42Å
275R98Very high96.5Very high116 Ų11635.8 Ų35.844%0.43819%0.187SC..Hα-helixtrans-57.4-43.3175.6-73.3-171.9-34.596.70.1111.6E42 N271 E272 I278 G279E42-R275 HydrophobicContact CB-CG 4.24Å; E42-R275 HydrophobicContact CG-CG 3.76Å; E42-R275 WeakPolarHBondContact OE2-CD 3.35Å; E42-R275 WeakPolarHBondContact OE2-CG 3.43Å; N271-R275 WeakPolarHBondContact O-CG 3.49Å; N271-R275 PolarHBondContact O-N 3.23Å; E272-R275 PolarHBondContact O-N 3.32Å; E272-R275 IonicContact OE1-NH2 3.61Å; E272-R275 PolarHBondContact OE1-NH2 3.48Å; E272-R275 IonicContact OE2-CZ 3.92Å; E272-R275 IonicContact OE2-NE 3.71Å; E272-R275 PolarHBondContact OE2-NE 3.09Å; E272-R275 IonicContact OE2-NH2 2.67Å; E272-R275 PolarHBondContact OE2-NH2 3.2Å; R275-I278 PolarHBondContact O-N 2.91Å; R275-G279 PolarHBondContact O-N 3.15Å
276V98Very high96.3Very high1 Ų134.3 Ų34.31%0.00617%0.166CC..Hα-helixtrans-61.9-48.1177.6174.50000111.1E272 S273 A274 I278 G279 W280 Y319 A322 V323 V326E272-V276 WeakPolarHBondContact O-CG2 3.43Å; E272-V276 PolarHBondContact O-N 2.94Å; S273-V276 PolarHBondContact O-N 3.49Å; A274-V276 VanDerWaalsContact C-N 3.29Å; A274-V276 PolarHBondContact O-N 3.22Å; V276-I278 PolarHBondContact O-N 3.25Å; V276-G279 PolarHBondContact O-N 3.12Å; V276-W280 PolarHBondContact O-N 3.23Å; V276-W280 VanDerWaalsContact O-N 3.15Å; V276-Y319 HydrophobicContact CB-CD2 4.26Å; V276-Y319 HydrophobicContact CB-CE2 4.34Å; V276-Y319 HydrophobicContact CG1-CD2 4.36Å; V276-Y319 HydrophobicContact CG2-CD2 4.14Å; V276-Y319 HydrophobicContact CG2-CE2 3.74Å; V276-A322 HydrophobicContact CG1-CB 3.48Å; V276-A322 VanDerWaalsContact CG1-CB 3.48Å; V276-V323 HydrophobicContact CG1-CB 4.45Å; V276-V323 HydrophobicContact CG2-CB 4.05Å; V276-V323 HydrophobicContact CG2-CG2 3.86Å; V276-V326 HydrophobicContact CB-CG2 4.25Å; V276-V326 HydrophobicContact CG1-CG2 4.08Å; V276-V326 HydrophobicContact CG2-CG2 3.91Å
277C98.6Very high96Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-56.5-48.3176.5-172.30000111.8F35 F39 Y232 S273 A274 G279 W280 L281F35-C277 HydrophobicContact CZ-CB 4.41Å; F39-C277 HydrophobicContact CE2-CB 4.24Å; Y232-C277 HydrophobicContact CD1-CB 3.78Å; Y232-C277 HydrophobicContact CD2-CB 4.26Å; Y232-C277 HydrophobicContact CE1-CB 3.6Å; Y232-C277 HydrophobicContact CE2-CB 4.12Å; Y232-C277 HydrophobicContact CG-CB 4.09Å; S273-C277 PolarHBondContact O-N 3.4Å; A274-C277 WeakPolarHBondContact O-CB 3.38Å; A274-C277 PolarHBondContact O-N 3.27Å; C277-G279 VanDerWaalsContact C-N 3.34Å; C277-G279 PolarHBondContact O-N 3.01Å; C277-W280 WeakPolarHBondContact O-CB 3.42Å; C277-W280 PolarHBondContact O-N 3.04Å; C277-W280 VanDerWaalsContact O-N 3.13Å; C277-L281 WeakPolarHBondContact O-CG 3.49Å; C277-L281 PolarHBondContact O-N 2.74Å
278I97.8Very high95.4Very high3 Ų332.2 Ų32.22%0.01516%0.158CC..Hα-helixtrans-66.2-36.4179.9-65.8158.7000111.7W19 F39 E42 L43 S46 A274 R275 V276 W280 L281 K282W19-I278 HydrophobicContact CH2-CG2 4.17Å; F39-I278 HydrophobicContact CD2-CD1 4.28Å; F39-I278 HydrophobicContact CD2-CG1 4.17Å; F39-I278 HydrophobicContact CE2-CD1 4.26Å; F39-I278 HydrophobicContact CE2-CG1 3.69Å; F39-I278 HydrophobicContact CZ-CG1 3.99Å; E42-I278 VanDerWaalsContact C-CD1 3.48Å; E42-I278 HydrophobicContact CB-CD1 3.59Å; L43-I278 HydrophobicContact CB-CD1 4.09Å; L43-I278 HydrophobicContact CD1-CD1 4.46Å; L43-I278 HydrophobicContact CD1-CG1 4.32Å; L43-I278 VanDerWaalsContact N-CD1 3.32Å; S46-I278 WeakPolarHBondContact OG-CG2 3.33Å; A274-I278 WeakPolarHBondContact O-CD1 3.44Å; A274-I278 WeakPolarHBondContact O-CG1 3.45Å; A274-I278 PolarHBondContact O-N 3.42Å; R275-I278 PolarHBondContact O-N 2.91Å; V276-I278 PolarHBondContact O-N 3.25Å; I278-W280 PolarHBondContact O-N 3.25Å; I278-L281 HydrophobicContact CG1-CD1 4.46Å; I278-L281 WeakPolarHBondContact O-CB 3.24Å; I278-L281 PolarHBondContact O-N 3.41Å; I278-L281 VanDerWaalsContact O-N 3.11Å; I278-K282 PolarHBondContact O-N 2.94Å
279G95.5Very high94.3Very high20 Ų2037 Ų3721%0.20619%0.19CC..Hα-helixtrans-57.4-37.3172.600000112.4R275 V276 C277 K282 R283R275-G279 PolarHBondContact O-N 3.15Å; V276-G279 PolarHBondContact O-N 3.12Å; C277-G279 VanDerWaalsContact C-N 3.34Å; C277-G279 PolarHBondContact O-N 3.01Å; G279-K282 WeakPolarHBondContact O-CB 3.03Å; G279-R283 WeakPolarHBondContact O-CG 3.43Å
280W96Very high93.4Very high0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-73-38.8172.2-8379.3000113.3V276 C277 I278 K282 R283 L298 Y308 V311 W312 L317 A322 K325 V326V276-W280 PolarHBondContact O-N 3.23Å; V276-W280 VanDerWaalsContact O-N 3.15Å; C277-W280 WeakPolarHBondContact O-CB 3.42Å; C277-W280 PolarHBondContact O-N 3.04Å; C277-W280 VanDerWaalsContact O-N 3.13Å; I278-W280 PolarHBondContact O-N 3.25Å; W280-K282 PolarHBondContact O-N 3Å; W280-R283 WeakPolarHBondContact O-CB 3.3Å; W280-R283 PolarHBondContact O-N 3.34Å; W280-L298 HydrophobicContact CE3-CD1 4.11Å; W280-L298 HydrophobicContact CZ3-CD1 4.18Å; W280-L298 HydrophobicContact CZ3-CD2 3.76Å; W280-Y308 HydrophobicContact CH2-CD1 4.32Å; W280-Y308 HydrophobicContact CH2-CD2 4.18Å; W280-Y308 AromaticContact CH2-CG 3.8Å; W280-Y308 HydrophobicContact CH2-CG 3.8Å; W280-Y308 HydrophobicContact CZ3-CG 4.23Å; W280-V311 HydrophobicContact CE3-CG1 4.46Å; W280-V311 HydrophobicContact CZ3-CG1 4.4Å; W280-V311 HydrophobicContact CZ3-CG2 4.46Å; W280-W312 WeakPolarHBondContact O-CH2 3.44Å; W280-W312 WeakPolarHBondContact O-CZ2 3.23Å; W280-L317 HydrophobicContact CB-CD2 3.99Å; W280-L317 HydrophobicContact CD2-CD1 4.29Å; W280-L317 HydrophobicContact CD2-CD2 3.38Å; W280-L317 HydrophobicContact CD2-CG 4.48Å; W280-L317 HydrophobicContact CE3-CD1 4.43Å; W280-L317 HydrophobicContact CE3-CD2 3.73Å; W280-L317 HydrophobicContact CG-CD2 3.5Å; W280-L317 VanDerWaalsContact CG-CD2 3.5Å; W280-L317 HydrophobicContact CH2-CD1 3.93Å; W280-L317 HydrophobicContact CZ2-CD1 3.76Å; W280-L317 HydrophobicContact CZ2-CD2 4.38Å; W280-L317 HydrophobicContact CZ3-CD1 4.26Å; W280-L317 HydrophobicContact CZ3-CD2 4.35Å; W280-A322 PolarHBondContact NE1-O 3.07Å; W280-K325 HydrophobicContact CH2-CD 4.33Å; W280-K325 HydrophobicContact CZ2-CB 4.14Å; W280-K325 HydrophobicContact CZ2-CD 3.71Å; W280-V326 VanDerWaalsContact CD1-CG1 3.4Å; W280-V326 HydrophobicContact CG-CG1 4.38Å
281L96.5Very high92.5Very high0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-58.8-36.3173.4-64.2170.4000111.8P18 W19 F39 M133 T187 V189 L230 C277 I278 R283 Q284 W312P18-L281 WeakPolarHBondContact CG-O 3.49Å; W19-L281 HydrophobicContact CH2-CB 4.26Å; W19-L281 HydrophobicContact CZ3-CB 3.9Å; F39-L281 HydrophobicContact CE2-CD1 4.08Å; F39-L281 HydrophobicContact CZ-CD1 3.72Å; M133-L281 HydrophobicContact SD-CD1 3.85Å; T187-L281 HydrophobicContact CG2-CD2 4.1Å; V189-L281 HydrophobicContact CG2-CD1 4.28Å; V189-L281 HydrophobicContact CG2-CD2 3.76Å; L230-L281 HydrophobicContact CD2-CD2 3.99Å; C277-L281 WeakPolarHBondContact O-CG 3.49Å; C277-L281 PolarHBondContact O-N 2.74Å; I278-L281 HydrophobicContact CG1-CD1 4.46Å; I278-L281 WeakPolarHBondContact O-CB 3.24Å; I278-L281 PolarHBondContact O-N 3.41Å; I278-L281 VanDerWaalsContact O-N 3.11Å; L281-R283 PolarHBondContact O-N 2.8Å; L281-R283 VanDerWaalsContact O-N 3.13Å; L281-Q284 VanDerWaalsContact O-CB 3.29Å; L281-Q284 WeakPolarHBondContact O-CB 3.5Å; L281-Q284 PolarHBondContact O-N 3.3Å; L281-Q284 VanDerWaalsContact O-N 3.1Å; L281-W312 HydrophobicContact CD2-CH2 4.14Å; L281-W312 HydrophobicContact CD2-CZ3 3.96Å
282K94.4Very high91.7Very high63 Ų6344.2 Ų44.227%0.27424%0.237SC..THydrogen-bonded Turntrans-59-25.8175-164.1177.6-178.9176.50112.9W19 D52 I278 G279 W280 Q284W19-K282 VanDerWaalsContact CH2-CA 3.45Å; W19-K282 HydrophobicContact CH2-CB 3.69Å; W19-K282 HydrophobicContact CH2-CG 4.16Å; W19-K282 HydrophobicContact CZ2-CB 3.98Å; W19-K282 HydrophobicContact CZ2-CG 3.96Å; D52-K282 WeakPolarHBondContact OD2-CE 3.47Å; D52-K282 IonicContact OD2-NZ 2.66Å; D52-K282 PolarHBondContact OD2-NZ 2.97Å; I278-K282 PolarHBondContact O-N 2.94Å; G279-K282 WeakPolarHBondContact O-CB 3.03Å; W280-K282 PolarHBondContact O-N 3Å; K282-Q284 VanDerWaalsContact C-N 3.3Å
283R93.7Very high90.8Very high14 Ų1447.5 Ų47.55%0.05326%0.256CS..THydrogen-bonded Turntrans-88.45.6-177.5-6117058.6179.3-6.4112.9G279 W280 L281 L298 I299 D305 K325G279-R283 WeakPolarHBondContact O-CG 3.43Å; W280-R283 WeakPolarHBondContact O-CB 3.3Å; W280-R283 PolarHBondContact O-N 3.34Å; L281-R283 PolarHBondContact O-N 2.8Å; L281-R283 VanDerWaalsContact O-N 3.13Å; R283-L298 HydrophobicContact CB-CD1 3.67Å; R283-I299 HydrophobicContact CB-CB 4.1Å; R283-I299 VanDerWaalsContact CZ-O 3.31Å; R283-I299 PolarHBondContact NE-O 3.07Å; R283-I299 PolarHBondContact NH2-O 2.94Å; R283-I299 PolarHBondContact O-N 2.8Å; R283-D305 IonicContact CZ-OD1 2.68Å; R283-D305 IonicContact CZ-OD2 3.97Å; R283-D305 IonicContact NH1-OD1 3.49Å; R283-D305 PolarHBondContact NH1-OD1 3.1Å; R283-D305 IonicContact NH1-OD2 2.97Å; R283-D305 IonicContact NH2-OD1 3.34Å; R283-D305 PolarHBondContact NH2-OD1 2.88Å; R283-D305 IonicContact NH2-OD2 3.4Å; R283-D305 PolarHBondContact NH2-OD2 2.81Å; R283-K325 PolarHBondContact NH1-O 3.38Å; R283-K325 VanDerWaalsContact NH1-O 3.15Å
284Q94.6Very high90.3Very high2 Ų248.6 Ų48.61%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-74.7128.6174.8-173.1-169.223.900110.7P18 T187 L281 K282 P286 W312P18-Q284 HydrophobicContact CB-CB 4.34Å; P18-Q284 HydrophobicContact CG-CB 4.04Å; T187-Q284 PolarHBondContact OG1-NE2 2.81Å; T187-Q284 PolarHBondContact OG1-OE1 2.77Å; L281-Q284 VanDerWaalsContact O-CB 3.29Å; L281-Q284 WeakPolarHBondContact O-CB 3.5Å; L281-Q284 PolarHBondContact O-N 3.3Å; L281-Q284 VanDerWaalsContact O-N 3.1Å; K282-Q284 VanDerWaalsContact C-N 3.3Å; Q284-P286 WeakPolarHBondContact O-CD 3.02Å; Q284-W312 HydrophobicContact CB-CH2 4.04Å; Q284-W312 HydrophobicContact CB-CZ2 3.51Å; Q284-W312 HydrophobicContact CG-CD2 4.27Å; Q284-W312 HydrophobicContact CG-CZ2 4.07Å
285I92.8Very high90Very high52 Ų5251.9 Ų51.927%0.26728%0.281SS..EExtended strand (participates in β ladder)trans-96.5111.8161.5-52.6178.6000106.1P296 R297 I299I285-P296 WeakPolarHBondContact O-CA 3.37Å; I285-R297 HydrophobicContact CB-CB 4.14Å; I285-R297 HydrophobicContact CD1-CB 4.32Å; I285-R297 PolarHBondContact N-O 3.29Å; I285-R297 PolarHBondContact O-N 3.06Å; I285-I299 HydrophobicContact CD1-CG1 3.87Å; I285-I299 HydrophobicContact CG1-CD1 4.12Å; I285-I299 HydrophobicContact CG1-CG1 3.64Å
286P89.7Confident89.8Confident36 Ų3646.7 Ų46.723%0.23426%0.262CS..  trans-58.6166.4174.7-2636.9000112.7P18 P185 Q284P18-P286 HydrophobicContact CB-CG 3.63Å; P185-P286 HydrophobicContact CB-CB 3.99Å; P185-P286 HydrophobicContact CG-CB 3.83Å; P185-P286 HydrophobicContact CG-CG 4.18Å; Q284-P286 WeakPolarHBondContact O-CD 3.02Å
287I87.4Confident89.6Confident16 Ų1652.8 Ų52.88%0.08229%0.285CS..  trans-65.3155172.355.2151.7000112.5P289 S294I287-P289 WeakPolarHBondContact O-CD 3.41Å; I287-S294 WeakPolarHBondContact CA-OG 3.45Å; I287-S294 WeakPolarHBondContact CB-OG 3.43Å; I287-S294 WeakPolarHBondContact CG2-O 3.45Å
288E82.1Confident89.4Confident91 Ų9153.1 Ų53.143%0.42529%0.287SS..  trans-94.2110.5167.1-71.9178.6-146.500108.6S290 I291 S294 R297E288-S290 PolarHBondContact O-N 3.39Å; E288-I291 HydrophobicContact CB-CB 4.37Å; E288-I291 HydrophobicContact CB-CD1 3.99Å; E288-I291 HydrophobicContact CB-CG1 4.08Å; E288-I291 PolarHBondContact O-N 3.45Å; E288-I291 WeakPolarHBondContact OE2-CD1 3.49Å; E288-S294 PolarHBondContact N-OG 3.2Å; E288-S294 VanDerWaalsContact N-OG 3.07Å; E288-R297 IonicContact OE1-NH2 3.48Å
289P76Confident89.1Confident112 Ų11253.5 Ų53.573%0.72729%0.289SS*.THydrogen-bonded Turntrans-61-21.1-174.6-25.435.1000114.4I287 I291I287-P289 WeakPolarHBondContact O-CD 3.41Å; P289-I291 VanDerWaalsContact C-N 3.3Å
290S77.9Confident88.9Confident107 Ų10756.4 Ų56.475%0.74830%0.297SS*.THydrogen-bonded Turntrans-75.9-14.8176.252.20000113.8E288E288-S290 PolarHBondContact O-N 3.39Å
291I80.8Confident88.4Confident84 Ų8456.4 Ų56.443%0.43130%0.297SS..SBendtrans-102.6117-177.8-61.1-179.2000109.3E288 P289 N293 S294E288-I291 HydrophobicContact CB-CB 4.37Å; E288-I291 HydrophobicContact CB-CD1 3.99Å; E288-I291 HydrophobicContact CB-CG1 4.08Å; E288-I291 PolarHBondContact O-N 3.45Å; E288-I291 WeakPolarHBondContact OE2-CD1 3.49Å; P289-I291 VanDerWaalsContact C-N 3.3Å; I291-N293 PolarHBondContact O-N 2.92Å; I291-S294 WeakPolarHBondContact O-CB 3.41Å; I291-S294 PolarHBondContact O-N 2.85Å; I291-S294 VanDerWaalsContact O-N 3.13Å
292I79.7Confident87.8Confident151 Ų15158.4 Ų58.477%0.77431%0.311SS*.THydrogen-bonded Turntrans-59.6132.5174.7-60.3173.6000109.2S294I292-S294 PolarHBondContact O-N 3.05Å
293N80.6Confident87.3Confident130 Ų13059.2 Ų59.270%0.69532%0.317SS*.THydrogen-bonded Turntrans57.527.5-177.6-55.7-32.3000113.9I291 I295I291-N293 PolarHBondContact O-N 2.92Å; N293-I295 PolarHBondContact O-N 3.29Å
294S87.6Confident86.9Confident22 Ų2262.8 Ų62.815%0.15433%0.334CS..  trans-56.4134.4168.8-177.90000110I287 E288 I291 I292I287-S294 WeakPolarHBondContact CA-OG 3.45Å; I287-S294 WeakPolarHBondContact CB-OG 3.43Å; I287-S294 WeakPolarHBondContact CG2-O 3.45Å; E288-S294 PolarHBondContact N-OG 3.2Å; E288-S294 VanDerWaalsContact N-OG 3.07Å; I291-S294 WeakPolarHBondContact O-CB 3.41Å; I291-S294 PolarHBondContact O-N 2.85Å; I291-S294 VanDerWaalsContact O-N 3.13Å; I292-S294 PolarHBondContact O-N 3.05Å
295I91.9Very high86.6Confident70 Ų7062.7 Ų62.736%0.35933%0.334SS..  trans-112.5147.7174.662.9172.5000110.7P225 N293P225-I295 HydrophobicContact CB-CG2 3.72Å; N293-I295 PolarHBondContact O-N 3.29Å
296P93.8Very high86.3Confident7 Ų767.2 Ų67.25%0.04535%0.352CS..  trans-64.2142.7172.926.5-33.4000110.6P225 A228 I285 W312P225-P296 VanDerWaalsContact O-CD 3.29Å; P225-P296 WeakPolarHBondContact O-CD 3.28Å; A228-P296 HydrophobicContact CB-CB 3.86Å; A228-P296 HydrophobicContact CB-CG 3.67Å; I285-P296 WeakPolarHBondContact O-CA 3.37Å; P296-W312 HydrophobicContact CB-CB 4.13Å; P296-W312 HydrophobicContact CB-CG 4.21Å; P296-W312 HydrophobicContact CG-CB 3.75Å; P296-W312 HydrophobicContact CG-CG 4.37Å
297R94.3Very high86.4Confident129 Ų12971.8 Ų71.849%0.48737%0.374SS..EExtended strand (participates in β ladder)trans-120.2162.8-176.6-65.6-179.2-72.8160.9-5.9111.9I285 E288 W312I285-R297 HydrophobicContact CB-CB 4.14Å; I285-R297 HydrophobicContact CD1-CB 4.32Å; I285-R297 PolarHBondContact N-O 3.29Å; I285-R297 PolarHBondContact O-N 3.06Å; E288-R297 IonicContact OE1-NH2 3.48Å; R297-W312 VanDerWaalsContact C-CD1 3.48Å; R297-W312 PolarHBondContact O-NE1 3.27Å
298L94.2Very high86.8Confident7 Ų772.2 Ų72.24%0.03738%0.375CS..EExtended strand (participates in β ladder)trans-101.2128.4176.4-177.766.1000110.9W280 R283 H300 D305 Y308 V311 W312W280-L298 HydrophobicContact CE3-CD1 4.11Å; W280-L298 HydrophobicContact CZ3-CD1 4.18Å; W280-L298 HydrophobicContact CZ3-CD2 3.76Å; R283-L298 HydrophobicContact CB-CD1 3.67Å; L298-H300 HydrophobicContact CB-CB 4.45Å; L298-H300 HydrophobicContact CD2-CB 3.96Å; L298-H300 HydrophobicContact CG-CB 3.96Å; L298-H300 PolarHBondContact O-N 3.31Å; L298-H300 PolarHBondContact O-ND1 3.29Å; L298-D305 HydrophobicContact CD2-CB 4.41Å; L298-Y308 VanDerWaalsContact CD2-O 3.24Å; L298-Y308 WeakPolarHBondContact CD2-O 3.38Å; L298-V311 HydrophobicContact CB-CG1 4.4Å; L298-V311 HydrophobicContact CD1-CG1 4.05Å; L298-V311 HydrophobicContact CD2-CG1 4.15Å; L298-V311 HydrophobicContact CG-CG1 4.42Å; L298-W312 HydrophobicContact CD1-CZ2 4.17Å
299I92.3Very high87.3Confident10 Ų1071.2 Ų71.25%0.05137%0.372CS..  trans-66.2109158.8-66.8153.2000106.6L12 F15 R283 I285L12-I299 HydrophobicContact CB-CG2 4.3Å; L12-I299 HydrophobicContact CD2-CG2 3.69Å; F15-I299 HydrophobicContact CB-CD1 3.42Å; F15-I299 VanDerWaalsContact CB-CD1 3.42Å; F15-I299 HydrophobicContact CB-CG1 4.02Å; F15-I299 HydrophobicContact CB-CG2 4.19Å; F15-I299 HydrophobicContact CD1-CD1 4.38Å; F15-I299 HydrophobicContact CD1-CG1 4.19Å; F15-I299 HydrophobicContact CD2-CG1 4.44Å; F15-I299 HydrophobicContact CD2-CG2 3.44Å; F15-I299 VanDerWaalsContact CD2-CG2 3.44Å; F15-I299 HydrophobicContact CE2-CG2 3.9Å; F15-I299 HydrophobicContact CG-CD1 3.94Å; F15-I299 HydrophobicContact CG-CG1 3.97Å; F15-I299 HydrophobicContact CG-CG2 3.82Å; R283-I299 HydrophobicContact CB-CB 4.1Å; R283-I299 VanDerWaalsContact CZ-O 3.31Å; R283-I299 PolarHBondContact NE-O 3.07Å; R283-I299 PolarHBondContact NH2-O 2.94Å; R283-I299 PolarHBondContact O-N 2.8Å; I285-I299 HydrophobicContact CD1-CG1 3.87Å; I285-I299 HydrophobicContact CG1-CD1 4.12Å; I285-I299 HydrophobicContact CG1-CG1 3.64Å
300H89.9Confident88.1Confident81 Ų8170.7 Ų70.738%0.37536%0.363SS..  trans-134.7153.6-165.270.3-83000113.1L298 D305 L309L298-H300 HydrophobicContact CB-CB 4.45Å; L298-H300 HydrophobicContact CD2-CB 3.96Å; L298-H300 HydrophobicContact CG-CB 3.96Å; L298-H300 PolarHBondContact O-N 3.31Å; L298-H300 PolarHBondContact O-ND1 3.29Å; H300-D305 HydrophobicContact CB-CB 3.86Å; H300-L309 HydrophobicContact CB-CD2 4.03Å; H300-L309 WeakPolarHBondContact CD2-CD2 3.46Å; H300-L309 VanDerWaalsContact CG-CD2 3.43Å
301C85.9Confident89Confident0 Ų065.6 Ų65.60%033%0.327CS..  trans-90.2123.4162.1-178.70000108.5A8 C9 I303 H304 D305A8-C301 PolarHBondContact N-SG 3.48Å; C9-C301 VanDerWaalsContact SG-SG 3.63Å; C301-I303 PolarHBondContact O-N 2.62Å; C301-I303 VanDerWaalsContact O-N 3.07Å; C301-H304 HydrophobicContact CB-CB 4.39Å; C301-H304 PolarHBondContact O-N 3.13Å; C301-H304 PolarHBondContact SG-ND1 2.7Å; C301-D305 WeakPolarHBondContact CB-OD2 3.4Å; C301-D305 PolarHBondContact N-OD2 2.96Å; C301-D305 WeakPolarHBondContact O-CB 3.43Å; C301-D305 PolarHBondContact O-N 3.24Å
302S83.5Confident89.8Confident43 Ų4361.6 Ų61.630%0.30131%0.307SS..THydrogen-bonded Turntrans-59.3-23.6-177.5650000113.5E5E5-S302 VanDerWaalsContact OE2-CB 3.24Å; E5-S302 WeakPolarHBondContact OE2-CB 3.46Å; E5-S302 PolarHBondContact OE2-OG 3.39Å
303I84.3Confident90.6Very high79 Ų7957.5 Ų57.541%0.40529%0.286SS..THydrogen-bonded Turntrans-85.6-54.4179.1-51.3176.9000111.4E5 C7 C301E5-I303 HydrophobicContact CB-CD1 4.49Å; E5-I303 HydrophobicContact CB-CG1 4.24Å; E5-I303 VanDerWaalsContact O-CD1 3.25Å; E5-I303 WeakPolarHBondContact O-CD1 3.25Å; C7-I303 HydrophobicContact CB-CD1 4.01Å; C301-I303 PolarHBondContact O-N 2.62Å; C301-I303 VanDerWaalsContact O-N 3.07Å
304H84.9Confident91.4Very high89 Ų8951.3 Ų51.341%0.41225%0.253SS..THydrogen-bonded Turntrans-91.9-19-166.5-58.9115.1000114.2C7 C9 C301 K325C7-H304 PolarHBondContact SG-CE1 2.72Å; C9-H304 PolarHBondContact SG-ND1 2.85Å; C301-H304 HydrophobicContact CB-CB 4.39Å; C301-H304 PolarHBondContact O-N 3.13Å; C301-H304 PolarHBondContact SG-ND1 2.7Å; H304-K325 WeakPolarHBondContact O-CE 2.8Å; H304-K325 PolarHBondContact O-NZ 3.38Å
305D88.8Confident91.8Very high0 Ų053 Ų530%026%0.26CS..SBendtrans-113.612.5-173.2-58.5-54.7000113.1R283 L298 H300 C301 D307 Y308 L309 K325R283-D305 IonicContact CZ-OD1 2.68Å; R283-D305 IonicContact CZ-OD2 3.97Å; R283-D305 IonicContact NH1-OD1 3.49Å; R283-D305 PolarHBondContact NH1-OD1 3.1Å; R283-D305 IonicContact NH1-OD2 2.97Å; R283-D305 IonicContact NH2-OD1 3.34Å; R283-D305 PolarHBondContact NH2-OD1 2.88Å; R283-D305 IonicContact NH2-OD2 3.4Å; R283-D305 PolarHBondContact NH2-OD2 2.81Å; L298-D305 HydrophobicContact CD2-CB 4.41Å; H300-D305 HydrophobicContact CB-CB 3.86Å; C301-D305 WeakPolarHBondContact CB-OD2 3.4Å; C301-D305 PolarHBondContact N-OD2 2.96Å; C301-D305 WeakPolarHBondContact O-CB 3.43Å; C301-D305 PolarHBondContact O-N 3.24Å; D305-D307 PolarHBondContact O-N 3.26Å; D305-D307 VanDerWaalsContact O-N 3.17Å; D305-Y308 CarbonylContact O-C 3.55Å; D305-Y308 WeakPolarHBondContact O-CA 3.09Å; D305-Y308 PolarHBondContact O-N 3.03Å; D305-L309 PolarHBondContact O-N 3.22Å; D305-K325 WeakPolarHBondContact OD1-CD 3.35Å
306K87.7Confident92.1Very high147 Ų14752.6 Ų52.664%0.63925%0.254SS*.G310 helixtrans-55.1-37.5-174.7-169177.6-180179.40113.1Y308 L309K306-Y308 PolarHBondContact O-N 2.67Å; K306-L309 WeakPolarHBondContact O-CG 3.45Å
307D91.9Very high92.2Very high133 Ų13352.2 Ų52.271%0.71125%0.252SS*.G310 helixtrans-77.8-8.5179.9-57.8-37.3000113.3D305 L315D305-D307 PolarHBondContact O-N 3.26Å; D305-D307 VanDerWaalsContact O-N 3.17Å; D307-L315 VanDerWaalsContact O-CD2 3.23Å; D307-L315 WeakPolarHBondContact O-CD2 3.04Å
308Y94.4Very high92.4Very high24 Ų2446.9 Ų46.99%0.09423%0.233CC..G310 helixtrans-118.211.4-174.7-59.9-84.5000113.4W280 L298 D305 K306 N310 V311 L315 L317 D321W280-Y308 HydrophobicContact CH2-CD1 4.32Å; W280-Y308 HydrophobicContact CH2-CD2 4.18Å; W280-Y308 AromaticContact CH2-CG 3.8Å; W280-Y308 HydrophobicContact CH2-CG 3.8Å; W280-Y308 HydrophobicContact CZ3-CG 4.23Å; L298-Y308 VanDerWaalsContact CD2-O 3.24Å; L298-Y308 WeakPolarHBondContact CD2-O 3.38Å; D305-Y308 CarbonylContact O-C 3.55Å; D305-Y308 WeakPolarHBondContact O-CA 3.09Å; D305-Y308 PolarHBondContact O-N 3.03Å; K306-Y308 PolarHBondContact O-N 2.67Å; Y308-N310 PolarHBondContact O-N 3Å; Y308-N310 VanDerWaalsContact O-N 3.08Å; Y308-V311 VanDerWaalsContact O-CB 3.24Å; Y308-V311 WeakPolarHBondContact O-CB 3.25Å; Y308-V311 PolarHBondContact O-N 2.82Å; Y308-L315 HydrophobicContact CD1-CD2 3.79Å; Y308-L315 HydrophobicContact CE1-CD2 4.33Å; Y308-L315 HydrophobicContact CG-CD2 4.47Å; Y308-L317 HydrophobicContact CD1-CD1 3.68Å; Y308-L317 HydrophobicContact CE1-CD1 3.54Å; Y308-L317 HydrophobicContact CG-CD1 4.45Å; Y308-D321 HydrophobicContact CE2-CB 4.46Å; Y308-D321 WeakPolarHBondContact OH-CB 3.49Å; Y308-D321 PolarHBondContact OH-OD2 3.16Å
309L92.8Very high92.5Very high70 Ų7047.7 Ų47.737%0.36624%0.236SC..THydrogen-bonded Turntrans-53.8-33.5177.3-64.6178.3000112.8H300 D305 K306H300-L309 HydrophobicContact CB-CD2 4.03Å; H300-L309 WeakPolarHBondContact CD2-CD2 3.46Å; H300-L309 VanDerWaalsContact CG-CD2 3.43Å; D305-L309 PolarHBondContact O-N 3.22Å; K306-L309 WeakPolarHBondContact O-CG 3.45Å
310N93.9Very high92.7Very high101 Ų10152.9 Ų52.954%0.5426%0.256SS..THydrogen-bonded Turntrans-100.526.8179.2-65.7-26.1000112.6Y308 W312 L313Y308-N310 PolarHBondContact O-N 3Å; Y308-N310 VanDerWaalsContact O-N 3.08Å; N310-W312 PolarHBondContact O-N 2.88Å; N310-W312 VanDerWaalsContact O-N 3.14Å; N310-L313 HydrophobicContact CB-CB 4.47Å; N310-L313 HydrophobicContact CB-CD1 3.97Å; N310-L313 HydrophobicContact CB-CG 4.22Å; N310-L313 WeakPolarHBondContact O-CB 3.46Å; N310-L313 PolarHBondContact O-N 2.89Å
311V97Very high92.8Very high0 Ų052.4 Ų52.40%026%0.256CS..THydrogen-bonded Turntrans-56-35.6-174.769.20000112.8V229 L230 W280 L298 Y308 L313 G314 L315 L317V229-V311 VanDerWaalsContact O-O 3.1Å; L230-V311 HydrophobicContact CD1-CG2 3.58Å; W280-V311 HydrophobicContact CE3-CG1 4.46Å; W280-V311 HydrophobicContact CZ3-CG1 4.4Å; W280-V311 HydrophobicContact CZ3-CG2 4.46Å; L298-V311 HydrophobicContact CB-CG1 4.4Å; L298-V311 HydrophobicContact CD1-CG1 4.05Å; L298-V311 HydrophobicContact CD2-CG1 4.15Å; L298-V311 HydrophobicContact CG-CG1 4.42Å; Y308-V311 VanDerWaalsContact O-CB 3.24Å; Y308-V311 WeakPolarHBondContact O-CB 3.25Å; Y308-V311 PolarHBondContact O-N 2.82Å; V311-L313 PolarHBondContact O-N 3.44Å; V311-G314 PolarHBondContact O-N 2.91Å; V311-L315 PolarHBondContact O-N 3.25Å; V311-L317 HydrophobicContact CG2-CB 4.3Å
312W97.4Very high93.2Very high1 Ų152.4 Ų52.40%0.00426%0.256CS..THydrogen-bonded Turntrans-74.7-4.7178.9-51.3123.6000114.8A228 V229 L230 W280 L281 Q284 P296 R297 L298 N310 G314A228-W312 HydrophobicContact CB-CB 4.1Å; A228-W312 HydrophobicContact CB-CD2 4.41Å; A228-W312 HydrophobicContact CB-CE3 4.23Å; A228-W312 HydrophobicContact CB-CG 4.36Å; V229-W312 PolarHBondContact N-O 3.06Å; V229-W312 CarbonylContact O-C 3.56Å; V229-W312 WeakPolarHBondContact O-CA 3.34Å; V229-W312 VanDerWaalsContact O-O 3.09Å; L230-W312 HydrophobicContact CB-CE3 4.23Å; L230-W312 HydrophobicContact CB-CZ3 3.96Å; L230-W312 HydrophobicContact CD2-CZ3 4.15Å; L230-W312 HydrophobicContact CG-CZ3 4.47Å; W280-W312 WeakPolarHBondContact O-CH2 3.44Å; W280-W312 WeakPolarHBondContact O-CZ2 3.23Å; L281-W312 HydrophobicContact CD2-CH2 4.14Å; L281-W312 HydrophobicContact CD2-CZ3 3.96Å; Q284-W312 HydrophobicContact CB-CH2 4.04Å; Q284-W312 HydrophobicContact CB-CZ2 3.51Å; Q284-W312 HydrophobicContact CG-CD2 4.27Å; Q284-W312 HydrophobicContact CG-CZ2 4.07Å; P296-W312 HydrophobicContact CB-CB 4.13Å; P296-W312 HydrophobicContact CB-CG 4.21Å; P296-W312 HydrophobicContact CG-CB 3.75Å; P296-W312 HydrophobicContact CG-CG 4.37Å; R297-W312 VanDerWaalsContact C-CD1 3.48Å; R297-W312 PolarHBondContact O-NE1 3.27Å; L298-W312 HydrophobicContact CD1-CZ2 4.17Å; N310-W312 PolarHBondContact O-N 2.88Å; N310-W312 VanDerWaalsContact O-N 3.14Å; W312-G314 PolarHBondContact O-N 3.19Å
313L96.7Very high93.6Very high64 Ų6452.6 Ų52.634%0.33526%0.255SS..EExtended strand (participates in β ladder)trans-90.327.4173.1-54.5-174.7000111.6P221 N310 V311P221-L313 HydrophobicContact CB-CD2 4.01Å; P221-L313 HydrophobicContact CG-CB 4.4Å; N310-L313 HydrophobicContact CB-CB 4.47Å; N310-L313 HydrophobicContact CB-CD1 3.97Å; N310-L313 HydrophobicContact CB-CG 4.22Å; N310-L313 WeakPolarHBondContact O-CB 3.46Å; N310-L313 PolarHBondContact O-N 2.89Å; V311-L313 PolarHBondContact O-N 3.44Å
314G96.9Very high93.7Very high0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans78.320.2-18000000114.1K218 V229 N231 V311 W312K218-G314 VanDerWaalsContact CE-O 3.26Å; K218-G314 WeakPolarHBondContact CE-O 3.22Å; K218-G314 WeakPolarHBondContact CG-O 3.26Å; V229-G314 VanDerWaalsContact O-CA 3.26Å; V229-G314 WeakPolarHBondContact O-CA 3.29Å; V229-G314 PolarHBondContact O-N 2.86Å; N231-G314 PolarHBondContact ND2-O 3.31Å; V311-G314 PolarHBondContact O-N 2.91Å; W312-G314 PolarHBondContact O-N 3.19Å
315L96.2Very high93.5Very high58 Ų5850.7 Ų50.730%0.30426%0.264SS..EExtended strand (participates in β ladder)trans-62.9144.2173.4-171.263.7000110N231 D307 Y308 V311 L317N231-L315 PolarHBondContact N-O 3.39Å; D307-L315 VanDerWaalsContact O-CD2 3.23Å; D307-L315 WeakPolarHBondContact O-CD2 3.04Å; Y308-L315 HydrophobicContact CD1-CD2 3.79Å; Y308-L315 HydrophobicContact CE1-CD2 4.33Å; Y308-L315 HydrophobicContact CG-CD2 4.47Å; V311-L315 PolarHBondContact O-N 3.25Å; L315-L317 PolarHBondContact O-N 3.41Å
316R96.6Very high93Very high61 Ų6155.2 Ų55.223%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-75.9122.5172.7-167.8-167.677.8-173.57.4109.3D197 N231D197-R316 VanDerWaalsContact OD2-CD 3.27Å; D197-R316 WeakPolarHBondContact OD2-CD 3.49Å; D197-R316 IonicContact OD2-CZ 3.89Å; D197-R316 IonicContact OD2-NE 3.89Å; D197-R316 IonicContact OD2-NH1 2.72Å; D197-R316 PolarHBondContact OD2-NH1 3.26Å; N231-R316 CarbonylContact O-C 3.51Å; N231-R316 VanDerWaalsContact O-CA 3.26Å; N231-R316 WeakPolarHBondContact O-CA 3.5Å
317L97.2Very high93.2Very high0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-108111.5171.7177.765.8000108.6L230 N231 Y232 S233 W280 Y308 V311 L315 A322L230-L317 HydrophobicContact CD1-CB 3.92Å; L230-L317 HydrophobicContact CD1-CD2 4.13Å; N231-L317 PolarHBondContact O-N 3.47Å; Y232-L317 CarbonylContact C-O 3.12Å; Y232-L317 WeakPolarHBondContact CA-O 3.31Å; Y232-L317 HydrophobicContact CD2-CB 4.42Å; Y232-L317 HydrophobicContact CD2-CD2 4.14Å; Y232-L317 HydrophobicContact CD2-CG 4.23Å; Y232-L317 WeakPolarHBondContact CD2-O 3.29Å; S233-L317 PolarHBondContact N-O 2.84Å; W280-L317 HydrophobicContact CB-CD2 3.99Å; W280-L317 HydrophobicContact CD2-CD1 4.29Å; W280-L317 HydrophobicContact CD2-CD2 3.38Å; W280-L317 HydrophobicContact CD2-CG 4.48Å; W280-L317 HydrophobicContact CE3-CD1 4.43Å; W280-L317 HydrophobicContact CE3-CD2 3.73Å; W280-L317 HydrophobicContact CG-CD2 3.5Å; W280-L317 VanDerWaalsContact CG-CD2 3.5Å; W280-L317 HydrophobicContact CH2-CD1 3.93Å; W280-L317 HydrophobicContact CZ2-CD1 3.76Å; W280-L317 HydrophobicContact CZ2-CD2 4.38Å; W280-L317 HydrophobicContact CZ3-CD1 4.26Å; W280-L317 HydrophobicContact CZ3-CD2 4.35Å; Y308-L317 HydrophobicContact CD1-CD1 3.68Å; Y308-L317 HydrophobicContact CE1-CD1 3.54Å; Y308-L317 HydrophobicContact CG-CD1 4.45Å; V311-L317 HydrophobicContact CG2-CB 4.3Å; L315-L317 PolarHBondContact O-N 3.41Å; L317-A322 HydrophobicContact CD1-CB 3.82Å; L317-A322 HydrophobicContact CD2-CB 4.07Å; L317-A322 HydrophobicContact CG-CB 3.87Å
318D97.1Very high93.3Very high16 Ų1646.3 Ų46.39%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-84.8143.1175.2-164.4-84.7000111.4S233 Y320 D321 A322S233-D318 VanDerWaalsContact CB-OD2 3.32Å; S233-D318 WeakPolarHBondContact CB-OD2 3.46Å; S233-D318 PolarHBondContact OG-OD2 2.79Å; D318-Y320 PolarHBondContact O-N 3.01Å; D318-Y320 WeakPolarHBondContact OD1-CD2 3.48Å; D318-Y320 PolarHBondContact OD1-N 2.75Å; D318-D321 PolarHBondContact O-N 2.87Å; D318-A322 VanDerWaalsContact O-CB 3.27Å; D318-A322 WeakPolarHBondContact O-CB 3.4Å; D318-A322 PolarHBondContact O-N 2.81Å
319Y97.6Very high93.3Very high24 Ų2447.6 Ų47.69%0.09426%0.26CS..Hα-helixtrans-48.1-44.4175.8168.6-92.4000112.4Y232 S233 I268 E272 V276 D321 A322 V323Y232-Y319 WeakPolarHBondContact OH-CD2 3.04Å; S233-Y319 PolarHBondContact O-N 2.82Å; I268-Y319 HydrophobicContact CD1-CD1 3.22Å; I268-Y319 HydrophobicContact CD1-CD2 4.38Å; I268-Y319 HydrophobicContact CD1-CE1 3.42Å; I268-Y319 VanDerWaalsContact CD1-CE1 3.42Å; I268-Y319 HydrophobicContact CD1-CG 3.74Å; I268-Y319 HydrophobicContact CG1-CD1 4.06Å; I268-Y319 HydrophobicContact CG1-CE1 3.7Å; I268-Y319 HydrophobicContact CG2-CD2 4.44Å; I268-Y319 HydrophobicContact CG2-CE1 4.29Å; I268-Y319 HydrophobicContact CG2-CE2 3.89Å; E272-Y319 HydrophobicContact CG-CE2 4.17Å; E272-Y319 WeakPolarHBondContact CG-OH 3.16Å; V276-Y319 HydrophobicContact CB-CD2 4.26Å; V276-Y319 HydrophobicContact CB-CE2 4.34Å; V276-Y319 HydrophobicContact CG1-CD2 4.36Å; V276-Y319 HydrophobicContact CG2-CD2 4.14Å; V276-Y319 HydrophobicContact CG2-CE2 3.74Å; Y319-D321 VanDerWaalsContact C-N 3.27Å; Y319-D321 PolarHBondContact O-N 3.34Å; Y319-A322 PolarHBondContact O-N 3.31Å; Y319-A322 VanDerWaalsContact O-N 3.07Å; Y319-V323 HydrophobicContact CD2-CB 4.45Å; Y319-V323 HydrophobicContact CE1-CB 4.25Å; Y319-V323 HydrophobicContact CE1-CG1 4.19Å; Y319-V323 HydrophobicContact CE2-CB 4.03Å; Y319-V323 HydrophobicContact CE2-CG2 4.06Å; Y319-V323 WeakPolarHBondContact O-CB 3.3Å; Y319-V323 WeakPolarHBondContact O-CG1 3.48Å; Y319-V323 PolarHBondContact O-N 2.72Å
320Y95.5Very high93.3Very high120 Ų12046.2 Ų46.247%0.47125%0.253SS..Hα-helixtrans-68.4-28.6-176.6-62.9-67.1000112.6P236 K266 I268 D318P236-Y320 WeakPolarHBondContact CD-OH 3.23Å; K266-Y320 PolarHBondContact O-OH 3.45Å; I268-Y320 HydrophobicContact CD1-CE1 4.25Å; D318-Y320 PolarHBondContact O-N 3.01Å; D318-Y320 WeakPolarHBondContact OD1-CD2 3.48Å; D318-Y320 PolarHBondContact OD1-N 2.75Å
321D93.5Very high93.2Very high70 Ų7042.8 Ų42.837%0.37424%0.236SC..Hα-helixtrans-79.8-25.2173.2-58-35.4000112.2Y308 D318 Y319 K325Y308-D321 HydrophobicContact CE2-CB 4.46Å; Y308-D321 WeakPolarHBondContact OH-CB 3.49Å; Y308-D321 PolarHBondContact OH-OD2 3.16Å; D318-D321 PolarHBondContact O-N 2.87Å; Y319-D321 VanDerWaalsContact C-N 3.27Å; Y319-D321 PolarHBondContact O-N 3.34Å; D321-K325 VanDerWaalsContact O-CD 3.27Å; D321-K325 WeakPolarHBondContact O-CD 3.36Å; D321-K325 WeakPolarHBondContact O-CE 3.21Å
322A93.8Very high93Very high0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-90.7-38.1-171.500000113.7Y232 V276 W280 L317 D318 Y319 G324 K325Y232-A322 HydrophobicContact CE2-CB 4.45Å; V276-A322 HydrophobicContact CG1-CB 3.48Å; V276-A322 VanDerWaalsContact CG1-CB 3.48Å; W280-A322 PolarHBondContact NE1-O 3.07Å; L317-A322 HydrophobicContact CD1-CB 3.82Å; L317-A322 HydrophobicContact CD2-CB 4.07Å; L317-A322 HydrophobicContact CG-CB 3.87Å; D318-A322 VanDerWaalsContact O-CB 3.27Å; D318-A322 WeakPolarHBondContact O-CB 3.4Å; D318-A322 PolarHBondContact O-N 2.81Å; Y319-A322 PolarHBondContact O-N 3.31Å; Y319-A322 VanDerWaalsContact O-N 3.07Å; A322-G324 VanDerWaalsContact C-N 3.34Å; A322-G324 PolarHBondContact O-N 3.28Å; A322-K325 PolarHBondContact O-N 2.98Å; A322-K325 VanDerWaalsContact O-N 3.12Å
323V92.6Very high92.7Very high48 Ų4848.9 Ų48.929%0.29127%0.269SS..G310 helixtrans-63.7-34.6-167.664.60000113.4V276 Y319 K325 V326V276-V323 HydrophobicContact CG1-CB 4.45Å; V276-V323 HydrophobicContact CG2-CB 4.05Å; V276-V323 HydrophobicContact CG2-CG2 3.86Å; Y319-V323 HydrophobicContact CD2-CB 4.45Å; Y319-V323 HydrophobicContact CE1-CB 4.25Å; Y319-V323 HydrophobicContact CE1-CG1 4.19Å; Y319-V323 HydrophobicContact CE2-CB 4.03Å; Y319-V323 HydrophobicContact CE2-CG2 4.06Å; Y319-V323 WeakPolarHBondContact O-CB 3.3Å; Y319-V323 WeakPolarHBondContact O-CG1 3.48Å; Y319-V323 PolarHBondContact O-N 2.72Å; V323-K325 PolarHBondContact O-N 3.31Å; V323-V326 WeakPolarHBondContact O-CG2 3.42Å
324G85.7Confident92.4Very high75 Ų7547.7 Ų47.777%0.77326%0.264SS*.G310 helixtrans-75.52.4178.400000114.8A322A322-G324 VanDerWaalsContact C-N 3.34Å; A322-G324 PolarHBondContact O-N 3.28Å
325K79.9Confident92Very high52 Ų5251.7 Ų51.723%0.22629%0.286CS..G310 helixtrans-125.712.3-169.7-60.8167.8176.3-178.40113.3W280 R283 H304 D305 D321 A322 V323W280-K325 HydrophobicContact CH2-CD 4.33Å; W280-K325 HydrophobicContact CZ2-CB 4.14Å; W280-K325 HydrophobicContact CZ2-CD 3.71Å; R283-K325 PolarHBondContact NH1-O 3.38Å; R283-K325 VanDerWaalsContact NH1-O 3.15Å; H304-K325 WeakPolarHBondContact O-CE 2.8Å; H304-K325 PolarHBondContact O-NZ 3.38Å; D305-K325 WeakPolarHBondContact OD1-CD 3.35Å; D321-K325 VanDerWaalsContact O-CD 3.27Å; D321-K325 WeakPolarHBondContact O-CD 3.36Å; D321-K325 WeakPolarHBondContact O-CE 3.21Å; A322-K325 PolarHBondContact O-N 2.98Å; A322-K325 VanDerWaalsContact O-N 3.12Å; V323-K325 PolarHBondContact O-N 3.31Å
326V78.4Confident91.6Very high96 Ų9651.1 Ų51.158%0.58228%0.284SS*.  trans-127.60178.2-69.50000111.5V276 W280 V323V276-V326 HydrophobicContact CB-CG2 4.25Å; V276-V326 HydrophobicContact CG1-CG2 4.08Å; V276-V326 HydrophobicContact CG2-CG2 3.91Å; W280-V326 VanDerWaalsContact CD1-CG1 3.4Å; W280-V326 HydrophobicContact CG-CG1 4.38Å; V323-V326 WeakPolarHBondContact O-CG2 3.42Å

Retrieved 326 of 326 residues in 102.8 ms (Link to these results)

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