A0A087XYQ2_POEFO Loading...

Kynurenine 3-monooxygenase

Catalyzes the hydroxylation of L-kynurenine (L-Kyn) to form 3-hydroxy-L-kynurenine (L-3OHKyn). Required for synthesis of quinolinic acid, a neurotoxic NMDA receptor antagonist and potential endogenous inhibitor of NMDA receptor signaling in axonal targeting, synaptogenesis and apoptosis during brain development. Quinolinic acid may also affect NMDA receptor signaling in pancreatic beta cells, osteoblasts, myocardial cells, and the gastrointestinal tract.

AlphaFold DB , UniProt , Accession A0A087XYQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M36.1Very low47.2Very low240 Ų240173.5 Ų173.5100%1.18285%0.845SS**  084.50-89165.748.900107E3M1-E3 PolarHBondContact O-N 3.44Å
2E34.1Very low51.3Low199 Ų199166.5 Ų166.593%0.9381%0.807SS**  trans-78.9105.9166.8-80.8173.1136.600106.9S4E2-S4 PolarHBondContact O-N 3.08Å
3E35.5Very low54.9Low193 Ų193156.5 Ų156.590%0.90276%0.761SS**  trans-82.9110.4166.9-135.2172.2-175.800107.1M1 A5M1-E3 PolarHBondContact O-N 3.44Å; E3-A5 PolarHBondContact O-N 3.45Å; E3-A5 VanDerWaalsContact O-N 3.08Å
4S35.9Very low58Low97 Ų97145.3 Ų145.368%0.67871%0.707SS**  trans-54.8110.5-179.856.90000110.7E2 L6E2-S4 PolarHBondContact O-N 3.08Å; S4-L6 PolarHBondContact O-N 2.86Å
5A39.7Very low60.7Low97 Ų97135.6 Ų135.680%0.80266%0.66SS**  trans-63.589.9158.700000108.1E3 R7E3-A5 PolarHBondContact O-N 3.45Å; E3-A5 VanDerWaalsContact O-N 3.08Å; A5-R7 PolarHBondContact O-N 3.19Å
6L37.7Very low63.1Low160 Ų160127.1 Ų127.184%0.83862%0.619SS**  trans-54.5106.5164-83.7150.8000106.9S4 R8S4-L6 PolarHBondContact O-N 2.86Å; L6-R8 PolarHBondContact O-N 2.97Å
7R37.1Very low65.2Low236 Ų236120.1 Ų120.189%0.89159%0.585SS**  trans-50.7122.9170.9-70.8177.5-174.6-179.41107.4A5 E9A5-R7 PolarHBondContact O-N 3.19Å; R7-E9 PolarHBondContact O-N 3.2Å
8R44.4Very low67Low235 Ų235113.9 Ų113.989%0.88756%0.557SS**  trans-57.5110.9157.2-82.7179173.4176.6-3105.1L6 D10L6-R8 PolarHBondContact O-N 2.97Å; R8-D10 PolarHBondContact O-N 3.03Å
9E58.3Low68.6Low180 Ų180108 Ų10884%0.84153%0.529SS*.  trans-54.8123.1160.6-76.2178.815400106.3R7 K11R7-E9 PolarHBondContact O-N 3.2Å; E9-K11 PolarHBondContact O-N 3.43Å
10D72.9Confident70Confident161 Ų161103.7 Ų103.786%0.86151%0.513SS*.  trans-58.1107.6175-79.9-35.1000107.2R8 K12R8-D10 PolarHBondContact O-N 3.03Å; D10-K12 PolarHBondContact O-N 3.27Å
11K87.5Confident71.3Confident111 Ų11199.6 Ų99.648%0.48349%0.493SS..PPolyproline II helixtrans-62.9132.3179.5-73.5175.6167.6-1630109.1E9 V13 G34 E36E9-K11 PolarHBondContact O-N 3.43Å; K11-V13 PolarHBondContact O-N 2.72Å; K11-G34 WeakPolarHBondContact CD-O 3.45Å; K11-G34 WeakPolarHBondContact CE-O 3.46Å; K11-G34 PolarHBondContact NZ-O 3Å; K11-E36 HydrophobicContact CB-CG 3.82Å; K11-E36 HydrophobicContact CD-CG 3.97Å; K11-E36 WeakPolarHBondContact CD-OE1 3.41Å; K11-E36 IonicContact NZ-OE1 2.99Å; K11-E36 PolarHBondContact NZ-OE1 2.92Å
12K95.9Very high74.2Confident89 Ų8988.9 Ų88.939%0.38744%0.442SS..PPolyproline II helixtrans-58.1137.7176.2-67179.3-177.9175.20110.8D10 F35 E36 D164 E339 F341D10-K12 PolarHBondContact O-N 3.27Å; K12-F35 HydrophobicContact CB-CD1 3.86Å; K12-F35 HydrophobicContact CB-CE1 3.94Å; K12-F35 HydrophobicContact CD-CE1 4.22Å; K12-E36 PolarHBondContact O-N 2.85Å; K12-E36 VanDerWaalsContact O-N 3.14Å; K12-D164 VanDerWaalsContact CA-OD2 3.25Å; K12-D164 WeakPolarHBondContact CA-OD2 3.5Å; K12-D164 HydrophobicContact CB-CB 4.08Å; K12-D164 HydrophobicContact CG-CB 4.41Å; K12-E339 PolarHBondContact NZ-O 3.41Å; K12-F341 HydrophobicContact CD-CE2 3.81Å; K12-F341 HydrophobicContact CD-CZ 4.25Å
13V98.1Very high77.3Confident36 Ų3679.4 Ų79.422%0.21840%0.397CS..EExtended strand (participates in β ladder)trans-93.8125.4178.8179.20000110.3K11 E36 A163 D164 L165K11-V13 PolarHBondContact O-N 2.72Å; V13-E36 CarbonylContact C-O 3.59Å; V13-E36 WeakPolarHBondContact CA-O 3.27Å; V13-E36 HydrophobicContact CG2-CB 4.34Å; V13-A163 HydrophobicContact CG1-CB 4.39Å; V13-D164 PolarHBondContact N-OD2 3.49Å; V13-D164 WeakPolarHBondContact O-CB 3.43Å; V13-D164 PolarHBondContact O-N 3.22Å; V13-L165 PolarHBondContact O-N 3.37Å
14V98.6Very high80.3Confident0 Ų070.3 Ų70.30%036%0.355CS..EExtended strand (participates in β ladder)trans-109.8114.9175.1-178.20000109.6V16 F30 F35 E36 V37 E38 L165 V167V14-V16 HydrophobicContact CG1-CG2 4.32Å; V14-F30 HydrophobicContact CB-CD1 4.5Å; V14-F30 HydrophobicContact CB-CG 4.48Å; V14-F30 HydrophobicContact CG1-CD1 4.06Å; V14-F30 HydrophobicContact CG1-CD2 3.97Å; V14-F30 HydrophobicContact CG1-CE1 4.2Å; V14-F30 HydrophobicContact CG1-CE2 4.16Å; V14-F30 HydrophobicContact CG1-CG 3.95Å; V14-F30 HydrophobicContact CG1-CZ 4.26Å; V14-F30 HydrophobicContact CG2-CD1 4.02Å; V14-F30 HydrophobicContact CG2-CE1 4.42Å; V14-F30 HydrophobicContact CG2-CG 4.45Å; V14-F35 HydrophobicContact CG2-CB 3.82Å; V14-F35 HydrophobicContact CG2-CD1 3.75Å; V14-F35 HydrophobicContact CG2-CD2 4.37Å; V14-F35 HydrophobicContact CG2-CE1 4.47Å; V14-F35 HydrophobicContact CG2-CG 3.71Å; V14-E36 PolarHBondContact N-O 2.84Å; V14-V37 WeakPolarHBondContact O-CA 3.43Å; V14-E38 PolarHBondContact O-N 2.99Å; V14-L165 CarbonylContact C-O 3.49Å; V14-L165 WeakPolarHBondContact CA-O 3.46Å; V14-L165 HydrophobicContact CG1-CB 4.45Å; V14-L165 HydrophobicContact CG1-CD2 4.21Å; V14-L165 HydrophobicContact CG1-CG 4.45Å; V14-L165 HydrophobicContact CG2-CB 4.28Å; V14-L165 HydrophobicContact CG2-CD2 4.41Å; V14-V167 HydrophobicContact CG1-CG2 3.72Å
15A98.7Very high83.3Confident0 Ų065.7 Ų65.70%032%0.323CS..EExtended strand (participates in β ladder)trans-94.3112.5174.700000110.9E38 F40 M149 A163 L165 I166 V167A15-E38 CarbonylContact C-O 3.56Å; A15-E38 VanDerWaalsContact CA-O 3.32Å; A15-E38 WeakPolarHBondContact CA-O 3.36Å; A15-F40 HydrophobicContact CB-CD2 4.48Å; A15-F40 HydrophobicContact CB-CE2 4.12Å; A15-M149 HydrophobicContact CB-SD 3.56Å; A15-M149 VanDerWaalsContact CB-SD 3.56Å; A15-A163 HydrophobicContact CB-CB 3.55Å; A15-L165 PolarHBondContact N-O 3.38Å; A15-I166 WeakPolarHBondContact O-CA 3.42Å; A15-V167 PolarHBondContact O-N 3.41Å
16V98.9Very high86.1Confident0 Ų061.1 Ų61.10%029%0.285CS..EExtended strand (participates in β ladder)trans-95.1116.4175.3-176.60000109.3V14 F30 V37 E38 V39 F40 V167 C169V14-V16 HydrophobicContact CG1-CG2 4.32Å; V16-F30 HydrophobicContact CG2-CD2 4.49Å; V16-V37 HydrophobicContact CG2-CG1 4.13Å; V16-E38 PolarHBondContact N-O 3.14Å; V16-V39 HydrophobicContact CB-CG1 4.28Å; V16-V39 HydrophobicContact CB-CG2 4.25Å; V16-V39 HydrophobicContact CG1-CG1 4.39Å; V16-V39 CarbonylContact O-C 3.44Å; V16-V39 WeakPolarHBondContact O-CA 3.25Å; V16-F40 PolarHBondContact O-N 2.79Å; V16-V167 HydrophobicContact CG2-CB 4.3Å; V16-C169 HydrophobicContact CG1-CB 4.26Å
17V98.7Very high89Confident7 Ų753.5 Ų53.54%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-94.1114.7179-1680000109.5L139 M149 I166 V167 C169 D170 V176V17-L139 HydrophobicContact CG1-CB 4.04Å; V17-L139 HydrophobicContact CG1-CD2 3.87Å; V17-L139 HydrophobicContact CG2-CD2 4.22Å; V17-M149 HydrophobicContact CG2-CE 3.26Å; V17-M149 HydrophobicContact CG2-SD 4.48Å; V17-I166 HydrophobicContact CG2-CG2 4.18Å; V17-V167 PolarHBondContact N-O 2.9Å; V17-C169 CarbonylContact O-C 3.52Å; V17-C169 WeakPolarHBondContact O-CA 3.34Å; V17-C169 WeakPolarHBondContact O-CB 3.49Å; V17-C169 PolarHBondContact O-N 2.65Å; V17-D170 HydrophobicContact CG1-CB 4Å; V17-D170 PolarHBondContact O-N 3.4Å; V17-V176 HydrophobicContact CB-CG2 3.83Å; V17-V176 HydrophobicContact CG1-CG2 4.03Å; V17-V176 HydrophobicContact CG2-CG2 3.79Å
18G98.3Very high91.9Very high9 Ų942.2 Ų42.29%0.09320%0.202CC..  trans100.4119.5-17700000111.8G20 G23 F40G18-G20 VanDerWaalsContact C-N 3.32Å; G18-G20 PolarHBondContact O-N 3.06Å; G18-G23 WeakPolarHBondContact O-CA 3.4Å; G18-F40 WeakPolarHBondContact CA-O 3.08Å; G18-F40 PolarHBondContact N-O 2.92Å
19A97.4Very high94.5Very high2 Ų231.6 Ų31.62%0.01716%0.162CC..  trans-10342.4175.400000110.8V39 E41 N118 L122A19-V39 HydrophobicContact CB-CG1 3.64Å; A19-E41 HydrophobicContact CB-CB 3.58Å; A19-E41 HydrophobicContact CB-CG 4.04Å; A19-E41 PolarHBondContact N-OE2 2.86Å; A19-N118 PolarHBondContact O-ND2 2.87Å; A19-N118 PolarHBondContact O-OD1 3.39Å; A19-L122 HydrophobicContact CB-CD2 3.61Å
20G95.8Very high96.4Very high21 Ų2123.2 Ų23.222%0.21612%0.123CC..SBendtrans-77.8-169.8164.200000111.3G18 V22 G23 A24 N118G18-G20 VanDerWaalsContact C-N 3.32Å; G18-G20 PolarHBondContact O-N 3.06Å; G20-V22 PolarHBondContact O-N 3.17Å; G20-G23 PolarHBondContact O-N 2.91Å; G20-A24 WeakPolarHBondContact O-CB 3.18Å; G20-A24 PolarHBondContact O-N 3.39Å; G20-N118 PolarHBondContact O-OD1 3.43Å
21L96.8Very high97.6Very high18 Ų1815.7 Ų15.79%0.0948%0.083CC..Hα-helixtrans-55.6-52.5-173-58.2172.2000112.5L25 L59 R114 L117 N118 M320 F324L21-L25 WeakPolarHBondContact O-CB 3.25Å; L21-L25 PolarHBondContact O-N 3.13Å; L21-L25 VanDerWaalsContact O-N 3.13Å; L21-L59 HydrophobicContact CD1-CD1 3.42Å; L21-L59 VanDerWaalsContact CD1-CD1 3.42Å; L21-R114 HydrophobicContact CD1-CG 4.37Å; L21-L117 HydrophobicContact CD2-CB 4.22Å; L21-L117 HydrophobicContact CD2-CD2 3.95Å; L21-L117 HydrophobicContact CD2-CG 3.85Å; L21-N118 HydrophobicContact CD2-CB 3.76Å; L21-N118 PolarHBondContact N-OD1 3.43Å; L21-M320 HydrophobicContact CD1-CB 4.42Å; L21-M320 HydrophobicContact CD1-CG 3.88Å; L21-M320 HydrophobicContact CD1-SD 3.97Å; L21-F324 HydrophobicContact CB-CE1 3.77Å; L21-F324 HydrophobicContact CB-CZ 4.13Å
22V98.4Very high98.1Very high16 Ų1615.9 Ų15.910%0.0978%0.084CC..Hα-helixtrans-68.6-42.3-177.7178.10000111.2G20 L25 N26 M305 G323 F324G20-V22 PolarHBondContact O-N 3.17Å; V22-L25 PolarHBondContact O-N 3.39Å; V22-N26 WeakPolarHBondContact O-CB 2.97Å; V22-N26 PolarHBondContact O-N 3.5Å; V22-M305 HydrophobicContact CG1-CB 4.13Å; V22-G323 WeakPolarHBondContact CG1-O 3.46Å; V22-F324 HydrophobicContact CG2-CD1 4.25Å
23G98.6Very high98.1Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-66.1-42.6179.900000113.5G18 G20 L25 N26 A27G18-G23 WeakPolarHBondContact O-CA 3.4Å; G20-G23 PolarHBondContact O-N 2.91Å; G23-L25 VanDerWaalsContact C-N 3.34Å; G23-L25 PolarHBondContact O-N 3.31Å; G23-N26 PolarHBondContact O-N 2.89Å; G23-A27 WeakPolarHBondContact O-CB 3.49Å; G23-A27 PolarHBondContact O-N 3.33Å
24A98.5Very high98Very high1 Ų113.7 Ų13.71%0.0088%0.079CC..Hα-helixtrans-65.6-37.9175.800000112G20 C28 L121 L122G20-A24 WeakPolarHBondContact O-CB 3.18Å; G20-A24 PolarHBondContact O-N 3.39Å; A24-C28 PolarHBondContact O-N 2.61Å; A24-C28 PolarHBondContact O-SG 2.65Å; A24-C28 VanDerWaalsContact O-SG 3.39Å; A24-L121 HydrophobicContact CB-CB 3.7Å; A24-L122 HydrophobicContact CB-CD2 3.9Å; A24-L122 HydrophobicContact CB-CG 4.28Å
25L98.8Very high98Very high0 Ų014.1 Ų14.10%08%0.08CC..Hα-helixtrans-66-47.6173.8-178.161000111.5L21 V22 G23 A27 C28 F29 A68 L69 V72 L121 F324 C327L21-L25 WeakPolarHBondContact O-CB 3.25Å; L21-L25 PolarHBondContact O-N 3.13Å; L21-L25 VanDerWaalsContact O-N 3.13Å; V22-L25 PolarHBondContact O-N 3.39Å; G23-L25 VanDerWaalsContact C-N 3.34Å; G23-L25 PolarHBondContact O-N 3.31Å; L25-A27 VanDerWaalsContact C-N 3.28Å; L25-A27 PolarHBondContact O-N 2.77Å; L25-C28 VanDerWaalsContact O-CB 3.31Å; L25-C28 WeakPolarHBondContact O-CB 3.5Å; L25-C28 PolarHBondContact O-N 2.63Å; L25-F29 HydrophobicContact CD1-CD2 4.14Å; L25-F29 HydrophobicContact CD1-CE2 3.76Å; L25-F29 HydrophobicContact CD2-CE2 4.19Å; L25-F29 HydrophobicContact CG-CD2 3.98Å; L25-F29 HydrophobicContact CG-CE2 3.73Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 3.26Å; L25-F29 VanDerWaalsContact O-N 3.15Å; L25-A68 HydrophobicContact CD2-CB 3.95Å; L25-L69 HydrophobicContact CD1-CD2 4.48Å; L25-V72 HydrophobicContact CD1-CB 4.4Å; L25-V72 HydrophobicContact CD1-CG1 4.04Å; L25-V72 HydrophobicContact CD1-CG2 3.49Å; L25-V72 VanDerWaalsContact CD1-CG2 3.49Å; L25-L121 HydrophobicContact CB-CD1 4.43Å; L25-L121 HydrophobicContact CB-CD2 4.48Å; L25-L121 HydrophobicContact CD1-CD2 4.1Å; L25-F324 HydrophobicContact CB-CE1 4.33Å; L25-F324 HydrophobicContact CD2-CB 3.91Å; L25-F324 HydrophobicContact CD2-CD1 3.44Å; L25-F324 VanDerWaalsContact CD2-CD1 3.44Å; L25-F324 HydrophobicContact CD2-CD2 3.87Å; L25-F324 HydrophobicContact CD2-CE1 3.83Å; L25-F324 HydrophobicContact CD2-CE2 4.25Å; L25-F324 HydrophobicContact CD2-CG 3.46Å; L25-F324 VanDerWaalsContact CD2-CG 3.46Å; L25-F324 HydrophobicContact CD2-CZ 4.23Å; L25-C327 HydrophobicContact CD2-CB 4.37Å; L25-C327 HydrophobicContact CG-CB 4.48Å
26N98.3Very high98Very high1 Ų117.5 Ų17.51%0.00510%0.096CC..Hα-helixtrans-58.1-40.3176.1-94.6-38.3000112.4V22 G23 C28 F29 F30 M305 C327V22-N26 WeakPolarHBondContact O-CB 2.97Å; V22-N26 PolarHBondContact O-N 3.5Å; G23-N26 PolarHBondContact O-N 2.89Å; N26-C28 PolarHBondContact O-N 3.38Å; N26-F29 PolarHBondContact O-N 3.46Å; N26-F30 HydrophobicContact CB-CD2 4.27Å; N26-F30 HydrophobicContact CB-CE2 4.21Å; N26-F30 WeakPolarHBondContact O-CD2 3.43Å; N26-F30 PolarHBondContact O-N 3.35Å; N26-M305 PolarHBondContact ND2-SD 3.49Å; N26-C327 WeakPolarHBondContact OD1-CB 3.43Å; N26-C327 PolarHBondContact OD1-SG 2.97Å
27A98.7Very high98Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-55.5-41.8175.200000111.6G23 L25 A31 V37 V39 A125G23-A27 WeakPolarHBondContact O-CB 3.49Å; G23-A27 PolarHBondContact O-N 3.33Å; L25-A27 VanDerWaalsContact C-N 3.28Å; L25-A27 PolarHBondContact O-N 2.77Å; A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 3.14Å; A27-V37 HydrophobicContact CB-CG1 4.08Å; A27-V39 HydrophobicContact CB-CG2 3.51Å; A27-A125 HydrophobicContact CB-CB 4.01Å
28C98.7Very high98Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-63.3-44.5174-59.50000112.1A24 L25 N26 A31 K32 V72 A125 Y128A24-C28 PolarHBondContact O-N 2.61Å; A24-C28 PolarHBondContact O-SG 2.65Å; A24-C28 VanDerWaalsContact O-SG 3.39Å; L25-C28 VanDerWaalsContact O-CB 3.31Å; L25-C28 WeakPolarHBondContact O-CB 3.5Å; L25-C28 PolarHBondContact O-N 2.63Å; N26-C28 PolarHBondContact O-N 3.38Å; C28-A31 PolarHBondContact O-N 3.37Å; C28-K32 WeakPolarHBondContact O-CB 3.14Å; C28-K32 VanDerWaalsContact O-CG 3.25Å; C28-K32 WeakPolarHBondContact O-CG 3.45Å; C28-K32 PolarHBondContact O-N 3.4Å; C28-V72 HydrophobicContact CB-CB 4.06Å; C28-V72 HydrophobicContact CB-CG1 3.72Å; C28-A125 VanDerWaalsContact SG-CA 3.58Å; C28-A125 PolarHBondContact SG-N 3.33Å; C28-Y128 HydrophobicContact CB-CE2 4.15Å
29F98.6Very high98Very high11 Ų1118.8 Ų18.85%0.04810%0.099CC..Hα-helixtrans-60.8-49.4178.1-84.1-85.2000112.2L25 N26 K32 R33 H71 V72 C327 I328 D331L25-F29 HydrophobicContact CD1-CD2 4.14Å; L25-F29 HydrophobicContact CD1-CE2 3.76Å; L25-F29 HydrophobicContact CD2-CE2 4.19Å; L25-F29 HydrophobicContact CG-CD2 3.98Å; L25-F29 HydrophobicContact CG-CE2 3.73Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 3.26Å; L25-F29 VanDerWaalsContact O-N 3.15Å; N26-F29 PolarHBondContact O-N 3.46Å; F29-K32 PolarHBondContact O-N 2.87Å; F29-R33 PolarHBondContact O-N 2.91Å; F29-H71 HydrophobicContact CE1-CB 3.65Å; F29-H71 HydrophobicContact CZ-CB 3.55Å; F29-V72 HydrophobicContact CD2-CG1 3.78Å; F29-V72 HydrophobicContact CE1-CG1 4.48Å; F29-V72 HydrophobicContact CE2-CG1 3.74Å; F29-V72 HydrophobicContact CG-CG1 4.18Å; F29-V72 HydrophobicContact CZ-CG1 4.12Å; F29-C327 HydrophobicContact CD2-CB 3.68Å; F29-C327 HydrophobicContact CE2-CB 3.59Å; F29-C327 HydrophobicContact CG-CB 4.41Å; F29-C327 HydrophobicContact CZ-CB 4.25Å; F29-I328 HydrophobicContact CZ-CG1 4.22Å; F29-D331 HydrophobicContact CD1-CB 3.77Å; F29-D331 HydrophobicContact CE1-CB 4.03Å
30F98.6Very high98.1Very high4 Ų418.9 Ų18.92%0.01810%0.099CC..Hα-helixtrans-65.1-41.2177.7-73.6-69.2000112.2V14 V16 N26 K32 R33 G34 F35 V37 L165 V167 F330V14-F30 HydrophobicContact CB-CD1 4.5Å; V14-F30 HydrophobicContact CB-CG 4.48Å; V14-F30 HydrophobicContact CG1-CD1 4.06Å; V14-F30 HydrophobicContact CG1-CD2 3.97Å; V14-F30 HydrophobicContact CG1-CE1 4.2Å; V14-F30 HydrophobicContact CG1-CE2 4.16Å; V14-F30 HydrophobicContact CG1-CG 3.95Å; V14-F30 HydrophobicContact CG1-CZ 4.26Å; V14-F30 HydrophobicContact CG2-CD1 4.02Å; V14-F30 HydrophobicContact CG2-CE1 4.42Å; V14-F30 HydrophobicContact CG2-CG 4.45Å; V16-F30 HydrophobicContact CG2-CD2 4.49Å; N26-F30 HydrophobicContact CB-CD2 4.27Å; N26-F30 HydrophobicContact CB-CE2 4.21Å; N26-F30 WeakPolarHBondContact O-CD2 3.43Å; N26-F30 PolarHBondContact O-N 3.35Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 2.99Å; F30-R33 WeakPolarHBondContact O-CB 3.38Å; F30-R33 PolarHBondContact O-N 3.47Å; F30-R33 VanDerWaalsContact O-N 3.13Å; F30-G34 PolarHBondContact O-N 3.3Å; F30-F35 HydrophobicContact CB-CD2 4.31Å; F30-F35 AromaticContact CD1-CD2 3.87Å; F30-F35 HydrophobicContact CD1-CD2 3.87Å; F30-F35 HydrophobicContact CD1-CE2 4.2Å; F30-F35 WeakPolarHBondContact O-CD2 3.38Å; F30-F35 PolarHBondContact O-N 3.27Å; F30-V37 HydrophobicContact CB-CG2 3.62Å; F30-L165 HydrophobicContact CE1-CD2 3.83Å; F30-L165 HydrophobicContact CZ-CD2 3.93Å; F30-V167 HydrophobicContact CE2-CG1 4.36Å; F30-V167 HydrophobicContact CE2-CG2 3.73Å; F30-V167 HydrophobicContact CZ-CG2 3.82Å; F30-F330 HydrophobicContact CE1-CD1 4.28Å; F30-F330 AromaticContact CE1-CE1 3.62Å; F30-F330 HydrophobicContact CE1-CE1 3.62Å; F30-F330 AromaticContact CZ-CD1 3.91Å; F30-F330 HydrophobicContact CZ-CD1 3.91Å; F30-F330 AromaticContact CZ-CE1 3.45Å; F30-F330 HydrophobicContact CZ-CE1 3.45Å; F30-F330 VanDerWaalsContact CZ-CE1 3.45Å; F30-F330 HydrophobicContact CZ-CZ 4.29Å
31A98.3Very high98.2Very high3 Ų318.6 Ų18.63%0.0259%0.093CC..Hα-helixtrans-62.9-39.9179.300000112.1A27 C28 R33 G34 V37 Y128 N130 T131A27-A31 WeakPolarHBondContact O-CB 3.48Å; A27-A31 PolarHBondContact O-N 3.14Å; C28-A31 PolarHBondContact O-N 3.37Å; A31-R33 PolarHBondContact O-N 3.41Å; A31-G34 PolarHBondContact O-N 3.01Å; A31-V37 HydrophobicContact CB-CG2 4.2Å; A31-Y128 HydrophobicContact CB-CD1 3.81Å; A31-Y128 HydrophobicContact CB-CD2 3.98Å; A31-Y128 HydrophobicContact CB-CG 3.53Å; A31-N130 PolarHBondContact O-ND2 2.74Å; A31-T131 WeakPolarHBondContact CB-OG1 3.13Å
32K97.1Very high98.1Very high115 Ų11521.3 Ų21.350%0.511%0.11SC..Hα-helixtrans-60.9-29.3175-78.1-176.671179.50113.9C28 F29 F30 G34 H71 V72 Y128C28-K32 WeakPolarHBondContact O-CB 3.14Å; C28-K32 VanDerWaalsContact O-CG 3.25Å; C28-K32 WeakPolarHBondContact O-CG 3.45Å; C28-K32 PolarHBondContact O-N 3.4Å; F29-K32 PolarHBondContact O-N 2.87Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 2.99Å; K32-G34 VanDerWaalsContact C-N 3.28Å; K32-H71 PolarHBondContact NZ-O 3.46Å; K32-V72 HydrophobicContact CD-CG1 4.37Å; K32-Y128 HydrophobicContact CB-CE1 4.44Å; K32-Y128 WeakPolarHBondContact CD-OH 3.42Å; K32-Y128 HydrophobicContact CG-CE1 3.44Å; K32-Y128 VanDerWaalsContact CG-CE1 3.44Å; K32-Y128 WeakPolarHBondContact CG-OH 3.34Å
33R96.4Very high97.9Very high52 Ų5224.4 Ų24.420%0.19612%0.12CC..Hα-helixtrans-79.1-10.1174.7-70.1-178.1164.3-78.5-13.8113.6F29 F30 A31 F35 D331 N335 E339F29-R33 PolarHBondContact O-N 2.91Å; F30-R33 WeakPolarHBondContact O-CB 3.38Å; F30-R33 PolarHBondContact O-N 3.47Å; F30-R33 VanDerWaalsContact O-N 3.13Å; A31-R33 PolarHBondContact O-N 3.41Å; R33-F35 HydrophobicContact CB-CD2 3.69Å; R33-F35 HydrophobicContact CB-CE2 3.67Å; R33-F35 HydrophobicContact CG-CE2 4.43Å; R33-D331 IonicContact CZ-OD1 3.17Å; R33-D331 IonicContact NE-OD1 3.35Å; R33-D331 PolarHBondContact NE-OD1 2.84Å; R33-D331 PolarHBondContact NH2-O 3.22Å; R33-D331 IonicContact NH2-OD1 3.78Å; R33-D331 PolarHBondContact NH2-OD1 3.32Å; R33-D331 IonicContact NH2-OD2 2.74Å; R33-N335 PolarHBondContact NH1-OD1 2.86Å; R33-N335 VanDerWaalsContact NH1-OD1 3.16Å; R33-N335 PolarHBondContact NH2-ND2 2.86Å; R33-N335 VanDerWaalsContact NH2-ND2 3.15Å; R33-N335 PolarHBondContact NH2-OD1 2.7Å; R33-E339 IonicContact CZ-OE1 2.72Å; R33-E339 IonicContact NH1-OE1 2.86Å; R33-E339 PolarHBondContact NH1-OE1 3.23Å
34G96.9Very high97.7Very high28 Ų2828.2 Ų28.229%0.28914%0.138SC..THydrogen-bonded Turntrans95.13.7176.600000115.3K11 F30 A31 K32K11-G34 WeakPolarHBondContact CD-O 3.45Å; K11-G34 WeakPolarHBondContact CE-O 3.46Å; K11-G34 PolarHBondContact NZ-O 3Å; F30-G34 PolarHBondContact O-N 3.3Å; A31-G34 PolarHBondContact O-N 3.01Å; K32-G34 VanDerWaalsContact C-N 3.28Å
35F98.2Very high97.5Very high9 Ų928.7 Ų28.74%0.03914%0.14CC..  trans-60.6152172.1-68.5-73.8000111.9K12 V14 F30 R33 V37 N130 M334 E339 F341K12-F35 HydrophobicContact CB-CD1 3.86Å; K12-F35 HydrophobicContact CB-CE1 3.94Å; K12-F35 HydrophobicContact CD-CE1 4.22Å; V14-F35 HydrophobicContact CG2-CB 3.82Å; V14-F35 HydrophobicContact CG2-CD1 3.75Å; V14-F35 HydrophobicContact CG2-CD2 4.37Å; V14-F35 HydrophobicContact CG2-CE1 4.47Å; V14-F35 HydrophobicContact CG2-CG 3.71Å; F30-F35 HydrophobicContact CB-CD2 4.31Å; F30-F35 AromaticContact CD1-CD2 3.87Å; F30-F35 HydrophobicContact CD1-CD2 3.87Å; F30-F35 HydrophobicContact CD1-CE2 4.2Å; F30-F35 WeakPolarHBondContact O-CD2 3.38Å; F30-F35 PolarHBondContact O-N 3.27Å; R33-F35 HydrophobicContact CB-CD2 3.69Å; R33-F35 HydrophobicContact CB-CE2 3.67Å; R33-F35 HydrophobicContact CG-CE2 4.43Å; F35-V37 HydrophobicContact CB-CG2 4.18Å; F35-V37 PolarHBondContact O-N 3.46Å; F35-N130 PolarHBondContact O-ND2 3.36Å; F35-M334 HydrophobicContact CE2-CE 3.6Å; F35-M334 HydrophobicContact CZ-CE 3.51Å; F35-E339 HydrophobicContact CZ-CB 4.26Å; F35-E339 HydrophobicContact CZ-CG 4.43Å; F35-F341 HydrophobicContact CE1-CE1 4.47Å; F35-F341 AromaticContact CE1-CZ 3.81Å; F35-F341 HydrophobicContact CE1-CZ 3.81Å; F35-F341 HydrophobicContact CZ-CE1 4.32Å; F35-F341 HydrophobicContact CZ-CZ 4.1Å
36E98.4Very high97.2Very high70 Ų7029.1 Ų29.133%0.32714%0.142SC..EExtended strand (participates in β ladder)trans-82.4112.9165.8-64.4-59.1141.100108.3K11 K12 V13 V14K11-E36 HydrophobicContact CB-CG 3.82Å; K11-E36 HydrophobicContact CD-CG 3.97Å; K11-E36 WeakPolarHBondContact CD-OE1 3.41Å; K11-E36 IonicContact NZ-OE1 2.99Å; K11-E36 PolarHBondContact NZ-OE1 2.92Å; K12-E36 PolarHBondContact O-N 2.85Å; K12-E36 VanDerWaalsContact O-N 3.14Å; V13-E36 CarbonylContact C-O 3.59Å; V13-E36 WeakPolarHBondContact CA-O 3.27Å; V13-E36 HydrophobicContact CG2-CB 4.34Å; V14-E36 PolarHBondContact N-O 2.84Å
37V98.7Very high97Very high2 Ų231.8 Ų31.81%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-106.3121.2-170.6-175.40000110.5V14 V16 A27 F30 A31 F35 V39 N130 T131 K132V14-V37 WeakPolarHBondContact O-CA 3.43Å; V16-V37 HydrophobicContact CG2-CG1 4.13Å; A27-V37 HydrophobicContact CB-CG1 4.08Å; F30-V37 HydrophobicContact CB-CG2 3.62Å; A31-V37 HydrophobicContact CB-CG2 4.2Å; F35-V37 HydrophobicContact CB-CG2 4.18Å; F35-V37 PolarHBondContact O-N 3.46Å; V37-V39 HydrophobicContact CG1-CG2 4.05Å; V37-N130 PolarHBondContact N-O 3.07Å; V37-T131 HydrophobicContact CB-CG2 4.42Å; V37-T131 HydrophobicContact CG1-CG2 4.46Å; V37-T131 CarbonylContact O-C 3.47Å; V37-T131 WeakPolarHBondContact O-CA 3.44Å; V37-K132 PolarHBondContact O-N 2.83Å
38E98.6Very high96.6Very high40 Ų4039.8 Ų39.819%0.18719%0.187CC..EExtended strand (participates in β ladder)trans-113114.7170.5-67.2-152.9-11300110.5V14 A15 V16 F40 K132 N134V14-E38 PolarHBondContact O-N 2.99Å; A15-E38 CarbonylContact C-O 3.56Å; A15-E38 VanDerWaalsContact CA-O 3.32Å; A15-E38 WeakPolarHBondContact CA-O 3.36Å; V16-E38 PolarHBondContact N-O 3.14Å; E38-F40 HydrophobicContact CB-CD2 4.47Å; E38-F40 HydrophobicContact CB-CE2 3.56Å; E38-F40 HydrophobicContact CB-CZ 3.82Å; E38-K132 HydrophobicContact CG-CB 4.43Å; E38-K132 IonicContact OE2-NZ 3.72Å; E38-K132 PolarHBondContact OE2-NZ 3.3Å; E38-N134 PolarHBondContact OE2-ND2 3.31Å
39V98.8Very high95.9Very high1 Ų140.6 Ų40.61%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-98.4127.8178.2-1700000109.3V16 A19 A27 V37 T131 K132 L133 N134V16-V39 HydrophobicContact CB-CG1 4.28Å; V16-V39 HydrophobicContact CB-CG2 4.25Å; V16-V39 HydrophobicContact CG1-CG1 4.39Å; V16-V39 CarbonylContact O-C 3.44Å; V16-V39 WeakPolarHBondContact O-CA 3.25Å; A19-V39 HydrophobicContact CB-CG1 3.64Å; A27-V39 HydrophobicContact CB-CG2 3.51Å; V37-V39 HydrophobicContact CG1-CG2 4.05Å; V39-T131 HydrophobicContact CG2-CG2 4.44Å; V39-K132 PolarHBondContact N-O 3.25Å; V39-L133 HydrophobicContact CB-CD2 3.67Å; V39-L133 HydrophobicContact CG1-CD2 4.34Å; V39-L133 HydrophobicContact CG2-CD2 3.59Å; V39-N134 WeakPolarHBondContact O-CA 3.14Å; V39-N134 VanDerWaalsContact O-CB 3.3Å; V39-N134 WeakPolarHBondContact O-CB 3.46Å; V39-N134 PolarHBondContact O-N 2.98Å
40F98.7Very high94.4Very high4 Ų450.1 Ų50.12%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-113.6121.5179.9-62.5-87.6000111A15 V16 G18 E38 N134 H137 F151 T161A15-F40 HydrophobicContact CB-CD2 4.48Å; A15-F40 HydrophobicContact CB-CE2 4.12Å; V16-F40 PolarHBondContact O-N 2.79Å; G18-F40 WeakPolarHBondContact CA-O 3.08Å; G18-F40 PolarHBondContact N-O 2.92Å; E38-F40 HydrophobicContact CB-CD2 4.47Å; E38-F40 HydrophobicContact CB-CE2 3.56Å; E38-F40 HydrophobicContact CB-CZ 3.82Å; F40-N134 WeakPolarHBondContact CA-O 3.27Å; F40-N134 HydrophobicContact CD1-CB 3.55Å; F40-N134 HydrophobicContact CE1-CB 3.77Å; F40-N134 WeakPolarHBondContact CE1-ND2 3.05Å; F40-N134 HydrophobicContact CG-CB 4.3Å; F40-H137 HydrophobicContact CB-CB 4.23Å; F40-H137 HydrophobicContact CD1-CB 3.86Å; F40-H137 AromaticContact CD1-CG 3.95Å; F40-F151 HydrophobicContact CB-CD1 4.03Å; F40-F151 HydrophobicContact CB-CE1 3.39Å; F40-F151 HydrophobicContact CB-CZ 3.77Å; F40-F151 HydrophobicContact CD1-CD1 4.07Å; F40-F151 HydrophobicContact CD1-CD2 4.01Å; F40-F151 AromaticContact CD1-CE1 3.84Å; F40-F151 HydrophobicContact CD1-CE1 3.84Å; F40-F151 AromaticContact CD1-CE2 3.76Å; F40-F151 HydrophobicContact CD1-CE2 3.76Å; F40-F151 HydrophobicContact CD1-CG 4.15Å; F40-F151 AromaticContact CD1-CZ 3.67Å; F40-F151 HydrophobicContact CD1-CZ 3.67Å; F40-F151 HydrophobicContact CD2-CE1 4.01Å; F40-F151 AromaticContact CD2-CE2 3.99Å; F40-F151 HydrophobicContact CD2-CE2 3.99Å; F40-F151 AromaticContact CD2-CZ 3.43Å; F40-F151 HydrophobicContact CD2-CZ 3.43Å; F40-F151 VanDerWaalsContact CD2-CZ 3.43Å; F40-F151 HydrophobicContact CE1-CD2 4.06Å; F40-F151 AromaticContact CE1-CE2 3.78Å; F40-F151 HydrophobicContact CE1-CE2 3.78Å; F40-F151 HydrophobicContact CE1-CZ 4.11Å; F40-F151 AromaticContact CE2-CE2 4Å; F40-F151 HydrophobicContact CE2-CE2 4Å; F40-F151 AromaticContact CE2-CZ 3.88Å; F40-F151 HydrophobicContact CE2-CZ 3.88Å; F40-F151 HydrophobicContact CG-CD1 4.12Å; F40-F151 HydrophobicContact CG-CD2 4.49Å; F40-F151 AromaticContact CG-CE1 3.47Å; F40-F151 HydrophobicContact CG-CE1 3.47Å; F40-F151 VanDerWaalsContact CG-CE1 3.47Å; F40-F151 AromaticContact CG-CE2 3.87Å; F40-F151 HydrophobicContact CG-CE2 3.87Å; F40-F151 AromaticContact CG-CZ 3.31Å; F40-F151 HydrophobicContact CG-CZ 3.31Å; F40-F151 AromaticContact CZ-CE2 3.9Å; F40-F151 HydrophobicContact CZ-CE2 3.9Å; F40-F151 HydrophobicContact CZ-CZ 4.21Å; F40-T161 HydrophobicContact CE2-CG2 4.32Å; F40-T161 HydrophobicContact CZ-CG2 3.92Å; F40-T161 WeakPolarHBondContact CZ-OG1 3.37Å
41E97.8Very high92.9Very high16 Ų1654.9 Ų54.98%0.07526%0.264CS..  trans-121.6133179.6172.155.2-112.600110.8A19 R43 N134 F135 D136 H137A19-E41 HydrophobicContact CB-CB 3.58Å; A19-E41 HydrophobicContact CB-CG 4.04Å; A19-E41 PolarHBondContact N-OE2 2.86Å; E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 HydrophobicContact CG-CB 4.13Å; E41-R43 PolarHBondContact O-N 3.27Å; E41-R43 WeakPolarHBondContact OE1-CB 3.29Å; E41-R43 WeakPolarHBondContact OE1-CG 3.43Å; E41-R43 IonicContact OE1-CZ 3.95Å; E41-R43 PolarHBondContact OE1-N 3.28Å; E41-R43 IonicContact OE1-NE 3.2Å; E41-R43 PolarHBondContact OE1-NE 3.39Å; E41-R43 IonicContact OE1-NH2 2.77Å; E41-R43 IonicContact OE2-CZ 3.02Å; E41-R43 IonicContact OE2-NE 3.91Å; E41-R43 IonicContact OE2-NH2 3.91Å; E41-R43 PolarHBondContact OE2-NH2 3.44Å; E41-N134 PolarHBondContact N-O 2.89Å; E41-F135 HydrophobicContact CB-CD1 3.89Å; E41-F135 HydrophobicContact CB-CE1 4.33Å; E41-F135 HydrophobicContact CG-CD1 3.88Å; E41-F135 HydrophobicContact CG-CE1 4.27Å; E41-F135 CarbonylContact O-C 3.59Å; E41-D136 PolarHBondContact O-N 2.82Å; E41-H137 CarbonylContact C-O 3.57Å; E41-H137 PolarHBondContact O-N 2.81Å
42T95.9Very high91.2Very high75 Ų7557.5 Ų57.546%0.4628%0.28SS..SBendtrans-68.9-32.8-179.3-65.50000112.1H137 K138T42-H137 WeakPolarHBondContact CA-O 3.5Å; T42-H137 PolarHBondContact N-O 2.99Å; T42-K138 HydrophobicContact CG2-CB 3.89Å; T42-K138 HydrophobicContact CG2-CD 4.09Å; T42-K138 HydrophobicContact CG2-CG 3.92Å; T42-K138 WeakPolarHBondContact OG1-CA 3.33Å
43R93.7Very high89.3Confident80 Ų8059.5 Ų59.530%0.30229%0.289SS..SBendtrans-82.5164-179.5-62.1169.7-67157.66.3111.6E41 D136E41-R43 VanDerWaalsContact C-N 3.31Å; E41-R43 HydrophobicContact CG-CB 4.13Å; E41-R43 PolarHBondContact O-N 3.27Å; E41-R43 WeakPolarHBondContact OE1-CB 3.29Å; E41-R43 WeakPolarHBondContact OE1-CG 3.43Å; E41-R43 IonicContact OE1-CZ 3.95Å; E41-R43 PolarHBondContact OE1-N 3.28Å; E41-R43 IonicContact OE1-NE 3.2Å; E41-R43 PolarHBondContact OE1-NE 3.39Å; E41-R43 IonicContact OE1-NH2 2.77Å; E41-R43 IonicContact OE2-CZ 3.02Å; E41-R43 IonicContact OE2-NE 3.91Å; E41-R43 IonicContact OE2-NH2 3.91Å; E41-R43 PolarHBondContact OE2-NH2 3.44Å; R43-D136 PolarHBondContact O-N 3.26Å
44E94.3Very high87.3Confident80 Ų8059.9 Ų59.937%0.37431%0.309SS..  trans-62.3160.6163.562177.7152.700111.1I46 A49E44-I46 PolarHBondContact O-N 3.47Å; E44-I46 VanDerWaalsContact O-N 3.09Å; E44-A49 VanDerWaalsContact CD-CB 3.46Å; E44-A49 HydrophobicContact CG-CB 3.83Å
45D94.9Very high85.5Confident11 Ų1164.1 Ų64.16%0.05932%0.316CS..  trans-62.7111.7176.1-173.7-12.9000110.9R47 K48 A49 F135D45-R47 PolarHBondContact O-N 2.93Å; D45-R47 VanDerWaalsContact OD1-CB 3.22Å; D45-R47 WeakPolarHBondContact OD1-CB 3.44Å; D45-R47 WeakPolarHBondContact OD1-CG 3.38Å; D45-R47 IonicContact OD1-CZ 2.7Å; D45-R47 PolarHBondContact OD1-N 3.42Å; D45-R47 IonicContact OD1-NE 3.92Å; D45-R47 PolarHBondContact OD1-NE 3.48Å; D45-R47 IonicContact OD1-NH2 3.3Å; D45-R47 IonicContact OD2-CZ 2.63Å; D45-R47 IonicContact OD2-NE 3.36Å; D45-R47 PolarHBondContact OD2-NE 3.39Å; D45-R47 VanDerWaalsContact OD2-NE 3.11Å; D45-R47 IonicContact OD2-NH2 3.42Å; D45-R47 PolarHBondContact OD2-NH2 2.85Å; D45-K48 HydrophobicContact CB-CB 4.49Å; D45-K48 HydrophobicContact CB-CD 4.39Å; D45-K48 HydrophobicContact CB-CG 4.43Å; D45-K48 PolarHBondContact O-N 3.22Å; D45-A49 PolarHBondContact O-N 3.23Å; D45-F135 HydrophobicContact CB-CD1 3.96Å; D45-F135 HydrophobicContact CB-CD2 3.74Å; D45-F135 HydrophobicContact CB-CE1 4Å; D45-F135 HydrophobicContact CB-CE2 3.77Å; D45-F135 HydrophobicContact CB-CG 3.83Å; D45-F135 HydrophobicContact CB-CZ 3.9Å
46I91.9Very high83.4Confident9 Ų965.8 Ų65.85%0.04633%0.329CS..THydrogen-bonded Turntrans-61.3-18.2-178.763.2164.8000113.4E44 K48 V52 N118 K119 L122E44-I46 PolarHBondContact O-N 3.47Å; E44-I46 VanDerWaalsContact O-N 3.09Å; I46-K48 VanDerWaalsContact C-N 3.3Å; I46-V52 HydrophobicContact CB-CG1 4.46Å; I46-V52 HydrophobicContact CB-CG2 4.44Å; I46-V52 HydrophobicContact CG2-CG1 4.16Å; I46-N118 HydrophobicContact CD1-CB 3.72Å; I46-N118 VanDerWaalsContact CD1-ND2 3.35Å; I46-N118 WeakPolarHBondContact CD1-ND2 3.44Å; I46-K119 HydrophobicContact CD1-CG 3.7Å; I46-K119 HydrophobicContact CG1-CG 3.88Å; I46-K119 WeakPolarHBondContact O-CE 3.33Å; I46-L122 HydrophobicContact CD1-CD1 4.05Å; I46-L122 HydrophobicContact CG1-CD1 3.8Å
47R93.1Very high81.8Confident58 Ų5863.8 Ų63.822%0.21932%0.32CS..THydrogen-bonded Turntrans-73.5-24.7175.2-59.1171.9-63.6170.38.1111.8D45 K119 T123 E126D45-R47 PolarHBondContact O-N 2.93Å; D45-R47 VanDerWaalsContact OD1-CB 3.22Å; D45-R47 WeakPolarHBondContact OD1-CB 3.44Å; D45-R47 WeakPolarHBondContact OD1-CG 3.38Å; D45-R47 IonicContact OD1-CZ 2.7Å; D45-R47 PolarHBondContact OD1-N 3.42Å; D45-R47 IonicContact OD1-NE 3.92Å; D45-R47 PolarHBondContact OD1-NE 3.48Å; D45-R47 IonicContact OD1-NH2 3.3Å; D45-R47 IonicContact OD2-CZ 2.63Å; D45-R47 IonicContact OD2-NE 3.36Å; D45-R47 PolarHBondContact OD2-NE 3.39Å; D45-R47 VanDerWaalsContact OD2-NE 3.11Å; D45-R47 IonicContact OD2-NH2 3.42Å; D45-R47 PolarHBondContact OD2-NH2 2.85Å; R47-K119 HydrophobicContact CG-CB 4.04Å; R47-K119 HydrophobicContact CG-CG 3.84Å; R47-T123 WeakPolarHBondContact CD-OG1 3.28Å; R47-T123 PolarHBondContact NH1-OG1 2.86Å; R47-E126 IonicContact CZ-OE1 3.38Å; R47-E126 IonicContact CZ-OE2 3.67Å; R47-E126 IonicContact NH1-OE1 3.78Å; R47-E126 IonicContact NH1-OE2 3.74Å; R47-E126 PolarHBondContact NH1-OE2 2.84Å; R47-E126 IonicContact NH2-OE1 2.68Å; R47-E126 PolarHBondContact NH2-OE1 3.5Å; R47-E126 IonicContact NH2-OE2 2.91Å; R47-E126 PolarHBondContact NH2-OE2 3.24Å
48K91.3Very high80.8Confident167 Ų16764 Ų6473%0.72632%0.321SS*.THydrogen-bonded Turntrans-109.9-21.8-177.5-57.9178.3-172.7173.50112.8D45 I46D45-K48 HydrophobicContact CB-CB 4.49Å; D45-K48 HydrophobicContact CB-CD 4.39Å; D45-K48 HydrophobicContact CB-CG 4.43Å; D45-K48 PolarHBondContact O-N 3.22Å; I46-K48 VanDerWaalsContact C-N 3.3Å
49A83.1Confident80.3Confident18 Ų1863.7 Ų63.715%0.14932%0.321CS..  trans-60.7135.4-178.800000112.5E44 D45 V51E44-A49 VanDerWaalsContact CD-CB 3.46Å; E44-A49 HydrophobicContact CG-CB 3.83Å; D45-A49 PolarHBondContact O-N 3.23Å; A49-V51 VanDerWaalsContact C-N 3.34Å
50K68.6Low80Confident211 Ų21164.7 Ų64.792%0.91733%0.329SS*.SBendtrans-70.4-31.8174.5-68.5-175.7179.5-179.70112.5
51V65.4Low79.8Confident103 Ų10364.5 Ų64.562%0.62433%0.328SS*.SBendtrans-133.3115.7178-179.40000107.7A49 K53A49-V51 VanDerWaalsContact C-N 3.34Å; V51-K53 PolarHBondContact O-N 3.48Å; V51-K53 VanDerWaalsContact O-N 3.09Å
52V63.5Low79.5Confident58 Ų5863.9 Ų63.935%0.35233%0.326SS..  trans-72.3107175.4-179.30000108.4I46 G54I46-V52 HydrophobicContact CB-CG1 4.46Å; I46-V52 HydrophobicContact CB-CG2 4.44Å; I46-V52 HydrophobicContact CG2-CG1 4.16Å; V52-G54 PolarHBondContact O-N 3.02Å
53K56.6Low79.2Confident157 Ų15764.3 Ų64.368%0.68332%0.322SS*.  trans-75.3113171.6-67.4180-177.1173.50109.1V51V51-K53 PolarHBondContact O-N 3.48Å; V51-K53 VanDerWaalsContact O-N 3.09Å
54G54.6Low79Confident60 Ų6062.6 Ų62.662%0.61932%0.316SS*.SBendtrans173.8164.4179.600000113V52V52-G54 PolarHBondContact O-N 3.02Å
55R59.1Low79Confident117 Ų11758.8 Ų58.844%0.44230%0.298SS..  trans-85.6121.7176.9-61.2167.6-179.3-176.6-0.5107.9R114 Y197R55-R114 PolarHBondContact O-NH1 3.14Å; R55-Y197 WeakPolarHBondContact CB-OH 3.32Å; R55-Y197 WeakPolarHBondContact CD-OH 3.3Å
56S55.4Low79Confident45 Ų4560.6 Ų60.632%0.31530%0.304SS..  trans-116.264.4-164.6-169.10000113.6E199S56-E199 VanDerWaalsContact CA-OE1 3.32Å; S56-E199 WeakPolarHBondContact CA-OE1 3.44Å; S56-E199 PolarHBondContact N-OE1 3.37Å
57I63.2Low79.2Confident28 Ų2862.2 Ų62.214%0.14431%0.314CS..PPolyproline II helixtrans-80.3125.4164.2-50.4177000106.6L59 Y197 E199 T239I57-L59 PolarHBondContact O-N 3.15Å; I57-Y197 HydrophobicContact CD1-CD2 3.76Å; I57-Y197 HydrophobicContact CD1-CE1 4.41Å; I57-Y197 HydrophobicContact CD1-CE2 3.62Å; I57-Y197 HydrophobicContact CD1-CG 4.23Å; I57-Y197 HydrophobicContact CG1-CD2 4.08Å; I57-Y197 HydrophobicContact CG1-CE2 3.75Å; I57-E199 PolarHBondContact N-OE1 3.24Å; I57-E199 VanDerWaalsContact N-OE1 3.09Å; I57-T239 HydrophobicContact CD1-CG2 4.39Å
58N77.6Confident79.4Confident7 Ų759.4 Ų59.44%0.03730%0.304CS..PPolyproline II helixtrans-54.6140.5166.6-82.1-9.7000109.6L229 N231 T237N58-L229 HydrophobicContact CB-CB 3.73Å; N58-L229 HydrophobicContact CB-CD2 3.9Å; N58-L229 HydrophobicContact CB-CG 4.36Å; N58-L229 PolarHBondContact ND2-O 2.94Å; N58-N231 PolarHBondContact ND2-OD1 3.02Å; N58-N231 PolarHBondContact OD1-OD1 2.88Å; N58-T237 WeakPolarHBondContact ND2-CB 3.45Å; N58-T237 PolarHBondContact ND2-OG1 3.27Å
59L88.2Confident79.7Confident32 Ų3251.5 Ų51.517%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-100.2141.3-173.2-59.3170.9000109.9L21 I57 V112 R114 M320L21-L59 HydrophobicContact CD1-CD1 3.42Å; L21-L59 VanDerWaalsContact CD1-CD1 3.42Å; I57-L59 PolarHBondContact O-N 3.15Å; L59-V112 HydrophobicContact CB-CG2 3.92Å; L59-V112 PolarHBondContact N-O 3.22Å; L59-V112 PolarHBondContact O-N 2.93Å; L59-R114 HydrophobicContact CD1-CB 3.81Å; L59-R114 HydrophobicContact CD1-CG 3.82Å; L59-R114 HydrophobicContact CG-CB 4.14Å; L59-M320 HydrophobicContact CB-CE 4.25Å; L59-M320 HydrophobicContact CB-SD 4.17Å; L59-M320 HydrophobicContact CD1-SD 3.6Å; L59-M320 HydrophobicContact CG-SD 4.45Å
60A92.9Very high80.4Confident22 Ų2257.1 Ų57.118%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-88102.5166.400000108.4I109 N321A60-I109 HydrophobicContact CB-CD1 3.91Å; A60-N321 PolarHBondContact O-ND2 2.84Å
61L94.4Very high81.7Confident0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-81.1118.8173.5-179.172.4000109.1R66 L69 I78 L110 V112 M320 F324L61-R66 HydrophobicContact CD2-CG 3.72Å; L61-R66 HydrophobicContact CG-CG 3.87Å; L61-L69 HydrophobicContact CD1-CD1 4.07Å; L61-L69 HydrophobicContact CD2-CD1 3.84Å; L61-I78 HydrophobicContact CD2-CG2 3.9Å; L61-L110 HydrophobicContact CB-CB 4.23Å; L61-L110 HydrophobicContact CD2-CD2 4.02Å; L61-L110 PolarHBondContact N-O 2.8Å; L61-L110 PolarHBondContact O-N 3.14Å; L61-V112 HydrophobicContact CB-CG1 4.12Å; L61-V112 HydrophobicContact CB-CG2 4.02Å; L61-V112 HydrophobicContact CD2-CG1 4.18Å; L61-M320 HydrophobicContact CB-CE 4.01Å; L61-M320 HydrophobicContact CD1-CE 3.48Å; L61-M320 VanDerWaalsContact CD1-CE 3.48Å; L61-M320 HydrophobicContact CG-CE 4.37Å; L61-F324 HydrophobicContact CD1-CE2 4.47Å
62S92.2Very high83.2Confident3 Ų346.2 Ų46.22%0.02124%0.237CC..  trans-99.5-178-17978.40000111.5R64 G65 R66 Q318 N321S62-R64 VanDerWaalsContact C-N 3.31Å; S62-R64 PolarHBondContact O-N 2.78Å; S62-G65 PolarHBondContact O-N 2.77Å; S62-R66 WeakPolarHBondContact O-CG 3.31Å; S62-R66 PolarHBondContact O-N 3.29Å; S62-Q318 PolarHBondContact OG-OE1 2.74Å; S62-N321 PolarHBondContact N-OD1 3.41Å; S62-N321 WeakPolarHBondContact OG-CB 3.39Å; S62-N321 PolarHBondContact OG-OD1 3.16Å
63H89.6Confident84.7Confident85 Ų8546.5 Ų46.539%0.39425%0.252SS..Hα-helixtrans-55.3-43.6176.4-178.254.2000112.6G65 R66 T67 R408H63-G65 PolarHBondContact O-N 3.35Å; H63-R66 PolarHBondContact O-N 3.17Å; H63-T67 PolarHBondContact O-N 2.74Å; H63-T67 PolarHBondContact O-OG1 3.07Å; H63-R408 WeakPolarHBondContact CB-O 3.28Å
64R89.8Confident86.7Confident44 Ų4439.7 Ų39.717%0.16622%0.222CC..Hα-helixtrans-58.9-49.8179.5-67.6-179.1178.8-146.14112S62 R66 T67 A68 N321 E325 D409S62-R64 VanDerWaalsContact C-N 3.31Å; S62-R64 PolarHBondContact O-N 2.78Å; R64-R66 VanDerWaalsContact C-N 3.35Å; R64-R66 PolarHBondContact O-N 3.23Å; R64-T67 PolarHBondContact O-N 2.91Å; R64-A68 PolarHBondContact O-N 3.11Å; R64-A68 VanDerWaalsContact O-N 3.14Å; R64-N321 HydrophobicContact CB-CB 4.37Å; R64-E325 VanDerWaalsContact CD-OE1 3.23Å; R64-E325 WeakPolarHBondContact CD-OE1 3.48Å; R64-E325 IonicContact CZ-OE1 3.34Å; R64-E325 IonicContact CZ-OE2 3.74Å; R64-E325 IonicContact NE-OE1 3.11Å; R64-E325 PolarHBondContact NE-OE1 3.42Å; R64-E325 VanDerWaalsContact NH1-CD 3.32Å; R64-E325 IonicContact NH1-OE1 3.95Å; R64-E325 PolarHBondContact NH1-OE1 2.61Å; R64-E325 VanDerWaalsContact NH1-OE1 3.1Å; R64-E325 IonicContact NH1-OE2 3.07Å; R64-E325 PolarHBondContact NH1-OE2 2.98Å; R64-D409 WeakPolarHBondContact CG-OD1 3.3Å; R64-D409 IonicContact CZ-OD1 3.52Å; R64-D409 IonicContact CZ-OD2 3.08Å; R64-D409 IonicContact NE-OD1 3.35Å; R64-D409 PolarHBondContact NE-OD1 3.24Å; R64-D409 IonicContact NE-OD2 3.1Å; R64-D409 PolarHBondContact NE-OD2 3.48Å; R64-D409 IonicContact NH2-OD1 3.99Å; R64-D409 IonicContact NH2-OD2 2.84Å; R64-D409 PolarHBondContact NH2-OD2 2.68Å
65G93.9Very high88.7Confident0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-63.7-39.2177.800000112.7S62 H63 A68 L69 N321S62-G65 PolarHBondContact O-N 2.77Å; H63-G65 PolarHBondContact O-N 3.35Å; G65-A68 PolarHBondContact O-N 3.18Å; G65-L69 WeakPolarHBondContact O-CG 3.46Å; G65-L69 PolarHBondContact O-N 2.63Å; G65-L69 VanDerWaalsContact O-N 3.11Å; G65-N321 WeakPolarHBondContact CA-OD1 3.39Å; G65-N321 PolarHBondContact N-OD1 3.3Å
66R95.4Very high90.4Very high48 Ų4839 Ų3918%0.18121%0.212CC..Hα-helixtrans-63.1-42.9175.1-73.6178.960.5173.93.9112.6L61 S62 H63 R64 A68 L69 K70 E75 Y108L61-R66 HydrophobicContact CD2-CG 3.72Å; L61-R66 HydrophobicContact CG-CG 3.87Å; S62-R66 WeakPolarHBondContact O-CG 3.31Å; S62-R66 PolarHBondContact O-N 3.29Å; H63-R66 PolarHBondContact O-N 3.17Å; R64-R66 VanDerWaalsContact C-N 3.35Å; R64-R66 PolarHBondContact O-N 3.23Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 2.77Å; R66-L69 PolarHBondContact O-N 3.01Å; R66-K70 PolarHBondContact O-N 3.4Å; R66-E75 HydrophobicContact CB-CG 4.38Å; R66-E75 IonicContact CZ-OE1 3.49Å; R66-E75 VanDerWaalsContact CZ-OE1 3.24Å; R66-E75 IonicContact NE-OE1 2.76Å; R66-E75 PolarHBondContact NE-OE1 2.91Å; R66-E75 IonicContact NH2-OE1 2.81Å; R66-E75 PolarHBondContact NH2-OE1 3.42Å; R66-Y108 PolarHBondContact NH1-OH 3.41Å
67T95.6Very high92.3Very high43 Ų4340.9 Ų40.926%0.26422%0.215SC..Hα-helixtrans-59.5-41.9176.8-59.10000110.9H63 R64 L69 K70 H71 I328H63-T67 PolarHBondContact O-N 2.74Å; H63-T67 PolarHBondContact O-OG1 3.07Å; R64-T67 PolarHBondContact O-N 2.91Å; T67-L69 PolarHBondContact O-N 2.92Å; T67-K70 VanDerWaalsContact O-CB 3.3Å; T67-K70 WeakPolarHBondContact O-CB 3.29Å; T67-K70 PolarHBondContact O-N 3.49Å; T67-H71 PolarHBondContact O-CD2 3.16Å; T67-H71 VanDerWaalsContact O-CD2 3.27Å; T67-H71 PolarHBondContact O-N 3.15Å; T67-I328 HydrophobicContact CG2-CD1 4.02Å
68A96.6Very high93.9Very high0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-63.9-43.1176.900000112.3L25 R64 G65 R66 K70 H71 F324 I328L25-A68 HydrophobicContact CD2-CB 3.95Å; R64-A68 PolarHBondContact O-N 3.11Å; R64-A68 VanDerWaalsContact O-N 3.14Å; G65-A68 PolarHBondContact O-N 3.18Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 2.77Å; A68-K70 PolarHBondContact O-N 3.39Å; A68-H71 PolarHBondContact O-N 3.06Å; A68-F324 HydrophobicContact CB-CB 3.65Å; A68-F324 HydrophobicContact CB-CD2 4.34Å; A68-F324 HydrophobicContact CB-CG 4.31Å; A68-F324 WeakPolarHBondContact CB-O 3.18Å; A68-I328 HydrophobicContact CB-CD1 3.7Å; A68-I328 HydrophobicContact CB-CG1 3.77Å
69L97.8Very high94.7Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-62.1-34.3175.3-68.2170.3000112L25 L61 G65 R66 T67 H71 V72 G73 M74 E75 I78 L117 L121 F324L25-L69 HydrophobicContact CD1-CD2 4.48Å; L61-L69 HydrophobicContact CD1-CD1 4.07Å; L61-L69 HydrophobicContact CD2-CD1 3.84Å; G65-L69 WeakPolarHBondContact O-CG 3.46Å; G65-L69 PolarHBondContact O-N 2.63Å; G65-L69 VanDerWaalsContact O-N 3.11Å; R66-L69 PolarHBondContact O-N 3.01Å; T67-L69 PolarHBondContact O-N 2.92Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3.43Å; L69-V72 VanDerWaalsContact O-CG2 3.29Å; L69-V72 WeakPolarHBondContact O-CG2 3.37Å; L69-V72 PolarHBondContact O-N 3.4Å; L69-G73 PolarHBondContact O-N 3.07Å; L69-M74 HydrophobicContact CB-CB 4.33Å; L69-M74 HydrophobicContact CD2-CB 4.1Å; L69-M74 PolarHBondContact O-N 3.3Å; L69-E75 HydrophobicContact CB-CB 4.3Å; L69-E75 PolarHBondContact O-N 3.04Å; L69-I78 HydrophobicContact CD1-CB 4.02Å; L69-I78 HydrophobicContact CD1-CG1 4.07Å; L69-I78 HydrophobicContact CD1-CG2 3.9Å; L69-I78 HydrophobicContact CD2-CG1 4.36Å; L69-L117 HydrophobicContact CD1-CD1 4.49Å; L69-L117 HydrophobicContact CD2-CD1 4.38Å; L69-L121 HydrophobicContact CD2-CD2 3.75Å; L69-F324 HydrophobicContact CD1-CE2 4.25Å; L69-F324 HydrophobicContact CD2-CE2 3.9Å; L69-F324 HydrophobicContact CG-CD2 4.27Å; L69-F324 HydrophobicContact CG-CE2 3.97Å
70K97.4Very high95Very high136 Ų13643.7 Ų43.759%0.59124%0.238SC*.Hα-helixtrans-62.4-40.3177.2-169.9-179.1-179174.40111.9R66 T67 A68 V72 G73 E75R66-K70 PolarHBondContact O-N 3.4Å; T67-K70 VanDerWaalsContact O-CB 3.3Å; T67-K70 WeakPolarHBondContact O-CB 3.29Å; T67-K70 PolarHBondContact O-N 3.49Å; A68-K70 PolarHBondContact O-N 3.39Å; K70-V72 PolarHBondContact O-N 3.36Å; K70-V72 VanDerWaalsContact O-N 3.14Å; K70-G73 PolarHBondContact O-N 3.4Å; K70-E75 HydrophobicContact CB-CB 4.01Å; K70-E75 WeakPolarHBondContact CB-OE2 3.17Å; K70-E75 WeakPolarHBondContact CD-OE2 3.47Å; K70-E75 WeakPolarHBondContact CG-OE2 3.23Å
71H96.5Very high94.9Very high73 Ų7346 Ų4634%0.33824%0.244SC..Hα-helixtrans-60.9-23.5178.5-83-123.5000112.8F29 K32 T67 A68 L69F29-H71 HydrophobicContact CE1-CB 3.65Å; F29-H71 HydrophobicContact CZ-CB 3.55Å; K32-H71 PolarHBondContact NZ-O 3.46Å; T67-H71 PolarHBondContact O-CD2 3.16Å; T67-H71 VanDerWaalsContact O-CD2 3.27Å; T67-H71 PolarHBondContact O-N 3.15Å; A68-H71 PolarHBondContact O-N 3.06Å; L69-H71 VanDerWaalsContact C-N 3.33Å; L69-H71 PolarHBondContact O-N 3.43Å
72V96.1Very high94.9Very high12 Ų1246.4 Ų46.47%0.07325%0.249CC..THydrogen-bonded Turntrans-108.612.5176.7-59.80000113.2L25 C28 F29 K32 L69 K70 M74L25-V72 HydrophobicContact CD1-CB 4.4Å; L25-V72 HydrophobicContact CD1-CG1 4.04Å; L25-V72 HydrophobicContact CD1-CG2 3.49Å; L25-V72 VanDerWaalsContact CD1-CG2 3.49Å; C28-V72 HydrophobicContact CB-CB 4.06Å; C28-V72 HydrophobicContact CB-CG1 3.72Å; F29-V72 HydrophobicContact CD2-CG1 3.78Å; F29-V72 HydrophobicContact CE1-CG1 4.48Å; F29-V72 HydrophobicContact CE2-CG1 3.74Å; F29-V72 HydrophobicContact CG-CG1 4.18Å; F29-V72 HydrophobicContact CZ-CG1 4.12Å; K32-V72 HydrophobicContact CD-CG1 4.37Å; L69-V72 VanDerWaalsContact O-CG2 3.29Å; L69-V72 WeakPolarHBondContact O-CG2 3.37Å; L69-V72 PolarHBondContact O-N 3.4Å; K70-V72 PolarHBondContact O-N 3.36Å; K70-V72 VanDerWaalsContact O-N 3.14Å; V72-M74 VanDerWaalsContact C-N 3.28Å; V72-M74 HydrophobicContact CG2-CB 4Å; V72-M74 HydrophobicContact CG2-CG 3.86Å; V72-M74 PolarHBondContact O-N 2.89Å
73G96.8Very high95.1Very high65 Ų6547 Ų4767%0.6725%0.252SS*.THydrogen-bonded Turntrans71.518.4177.700000114.7L69 K70L69-G73 PolarHBondContact O-N 3.07Å; K70-G73 PolarHBondContact O-N 3.4Å
74M97.3Very high95.3Very high14 Ų1445.1 Ų45.17%0.06925%0.247CC..  trans-103-9.2-175-69.5-63.8-70.900114L69 V72 D76 K77 I78 E120 L121 A124L69-M74 HydrophobicContact CB-CB 4.33Å; L69-M74 HydrophobicContact CD2-CB 4.1Å; L69-M74 PolarHBondContact O-N 3.3Å; V72-M74 VanDerWaalsContact C-N 3.28Å; V72-M74 HydrophobicContact CG2-CB 4Å; V72-M74 HydrophobicContact CG2-CG 3.86Å; V72-M74 PolarHBondContact O-N 2.89Å; M74-D76 PolarHBondContact O-N 3.39Å; M74-K77 HydrophobicContact CE-CD 3.84Å; M74-K77 PolarHBondContact O-N 2.94Å; M74-K77 HydrophobicContact SD-CD 4.18Å; M74-I78 HydrophobicContact CB-CG1 4.5Å; M74-I78 HydrophobicContact CE-CD1 4.39Å; M74-I78 WeakPolarHBondContact O-CG1 3.43Å; M74-I78 PolarHBondContact O-N 2.93Å; M74-E120 HydrophobicContact CE-CB 3.81Å; M74-E120 WeakPolarHBondContact CE-O 3.49Å; M74-L121 HydrophobicContact CG-CD2 4.48Å; M74-A124 HydrophobicContact CE-CB 3.93Å; M74-A124 HydrophobicContact CG-CB 4.07Å; M74-A124 HydrophobicContact SD-CB 3.63Å
75E96.6Very high95.6Very high27 Ų2743 Ų4313%0.12624%0.239CC..Hα-helixtrans-54.5-58.3-176.6-176.2-179.4-168.500111.9R66 L69 K70 K77 I78 V79R66-E75 HydrophobicContact CB-CG 4.38Å; R66-E75 IonicContact CZ-OE1 3.49Å; R66-E75 VanDerWaalsContact CZ-OE1 3.24Å; R66-E75 IonicContact NE-OE1 2.76Å; R66-E75 PolarHBondContact NE-OE1 2.91Å; R66-E75 IonicContact NH2-OE1 2.81Å; R66-E75 PolarHBondContact NH2-OE1 3.42Å; L69-E75 HydrophobicContact CB-CB 4.3Å; L69-E75 PolarHBondContact O-N 3.04Å; K70-E75 HydrophobicContact CB-CB 4.01Å; K70-E75 WeakPolarHBondContact CB-OE2 3.17Å; K70-E75 WeakPolarHBondContact CD-OE2 3.47Å; K70-E75 WeakPolarHBondContact CG-OE2 3.23Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 3.41Å; E75-I78 PolarHBondContact O-N 3.29Å; E75-V79 HydrophobicContact CG-CG2 3.88Å; E75-V79 WeakPolarHBondContact O-CB 3.22Å; E75-V79 VanDerWaalsContact O-CG2 3.23Å; E75-V79 WeakPolarHBondContact O-CG2 3.3Å; E75-V79 PolarHBondContact O-N 2.83Å
76D96.1Very high95.6Very high134 Ų13446.7 Ų46.772%0.71726%0.259SS*.Hα-helixtrans-59.9-40.7-175.2-65.6-26.6000112M74 V79 S80M74-D76 PolarHBondContact O-N 3.39Å; D76-V79 PolarHBondContact O-N 3.17Å; D76-S80 WeakPolarHBondContact O-CB 3.4Å; D76-S80 PolarHBondContact O-N 2.67Å; D76-S80 PolarHBondContact O-OG 3.02Å
77K95.4Very high95.4Very high85 Ų8544.7 Ų44.737%0.3725%0.253SS..Hα-helixtrans-62.4-46178.4-165.7-177.3-165.5-171.90111.5M74 E75 S80 E120M74-K77 HydrophobicContact CE-CD 3.84Å; M74-K77 PolarHBondContact O-N 2.94Å; M74-K77 HydrophobicContact SD-CD 4.18Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 3.41Å; K77-S80 PolarHBondContact O-OG 3.04Å; K77-E120 WeakPolarHBondContact CE-OE2 3.35Å; K77-E120 IonicContact NZ-OE2 2.77Å; K77-E120 PolarHBondContact NZ-OE2 2.91Å
78I94.9Very high95.3Very high4 Ų444.5 Ų44.52%0.02125%0.247CC..Hα-helixtrans-71.8-42.1179.1-63.1-54.1000111.2L61 L69 M74 E75 S80 K81 G82 V112 L117 E120L61-I78 HydrophobicContact CD2-CG2 3.9Å; L69-I78 HydrophobicContact CD1-CB 4.02Å; L69-I78 HydrophobicContact CD1-CG1 4.07Å; L69-I78 HydrophobicContact CD1-CG2 3.9Å; L69-I78 HydrophobicContact CD2-CG1 4.36Å; M74-I78 HydrophobicContact CB-CG1 4.5Å; M74-I78 HydrophobicContact CE-CD1 4.39Å; M74-I78 WeakPolarHBondContact O-CG1 3.43Å; M74-I78 PolarHBondContact O-N 2.93Å; E75-I78 PolarHBondContact O-N 3.29Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 2.91Å; I78-K81 CarbonylContact O-C 3.51Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.08Å; I78-G82 PolarHBondContact O-N 3.11Å; I78-V112 HydrophobicContact CG2-CG1 4.16Å; I78-L117 HydrophobicContact CB-CD1 4.42Å; I78-L117 HydrophobicContact CD1-CD1 3.48Å; I78-L117 VanDerWaalsContact CD1-CD1 3.48Å; I78-L117 HydrophobicContact CG1-CD1 3.69Å; I78-L117 HydrophobicContact CG2-CD1 3.83Å; I78-E120 HydrophobicContact CD1-CB 3.7Å; I78-E120 HydrophobicContact CD1-CG 4.06Å
79V94.6Very high95.3Very high32 Ų3244.7 Ų44.719%0.19425%0.248CC..Hα-helixtrans-61.3-40.5179172.10000111.1E75 D76 K81 G82 L110E75-V79 HydrophobicContact CG-CG2 3.88Å; E75-V79 WeakPolarHBondContact O-CB 3.22Å; E75-V79 VanDerWaalsContact O-CG2 3.23Å; E75-V79 WeakPolarHBondContact O-CG2 3.3Å; E75-V79 PolarHBondContact O-N 2.83Å; D76-V79 PolarHBondContact O-N 3.17Å; V79-K81 PolarHBondContact O-N 3.19Å; V79-K81 VanDerWaalsContact O-N 3.14Å; V79-G82 PolarHBondContact O-N 2.86Å; V79-G82 VanDerWaalsContact O-N 3.12Å; V79-L110 HydrophobicContact CB-CD2 4.39Å; V79-L110 HydrophobicContact CG2-CD2 4.19Å
80S94.3Very high95.2Very high90 Ų9045.4 Ų45.463%0.62925%0.252SS*.THydrogen-bonded Turntrans-61.7-20.6176.774.70000114.3D76 K77 I78D76-S80 WeakPolarHBondContact O-CB 3.4Å; D76-S80 PolarHBondContact O-N 2.67Å; D76-S80 PolarHBondContact O-OG 3.02Å; K77-S80 PolarHBondContact O-OG 3.04Å; I78-S80 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 2.91Å
81K91.9Very high95.1Very high70 Ų7039 Ų3930%0.30422%0.223SC..THydrogen-bonded Turntrans-107.18.3179.8-63.5-174178.1-1690113.2I78 V79 E120 L232I78-K81 CarbonylContact O-C 3.51Å; I78-K81 PolarHBondContact O-N 2.91Å; I78-K81 VanDerWaalsContact O-N 3.08Å; V79-K81 PolarHBondContact O-N 3.19Å; V79-K81 VanDerWaalsContact O-N 3.14Å; K81-E120 IonicContact NZ-OE1 2.92Å; K81-E120 PolarHBondContact NZ-OE1 3.09Å; K81-L232 HydrophobicContact CB-CD1 4.24Å; K81-L232 WeakPolarHBondContact O-CD1 3.23Å
82G93.6Very high95Very high10 Ų1037.3 Ų37.310%0.10322%0.22CC..SBendtrans-109.3164175.100000112.4I78 V79 S111I78-G82 PolarHBondContact O-N 3.11Å; V79-G82 PolarHBondContact O-N 2.86Å; V79-G82 VanDerWaalsContact O-N 3.12Å; G82-S111 CarbonylContact C-O 3.56Å; G82-S111 WeakPolarHBondContact CA-O 3.41Å
83I95.9Very high94.8Very high16 Ų1641.5 Ų41.58%0.08224%0.242CC..EExtended strand (participates in β ladder)trans-108.2118.8176.6-62.4174.6000108.8M85 S111 F209 P213 P230 N231 L232I83-M85 PolarHBondContact O-N 2.99Å; I83-S111 PolarHBondContact N-O 3.17Å; I83-S111 PolarHBondContact O-N 2.73Å; I83-F209 HydrophobicContact CD1-CE1 4.12Å; I83-F209 HydrophobicContact CD1-CZ 3.78Å; I83-P213 HydrophobicContact CG2-CB 4.49Å; I83-P230 HydrophobicContact CB-CB 4.37Å; I83-P230 HydrophobicContact CB-CG 3.84Å; I83-P230 HydrophobicContact CD1-CB 3.8Å; I83-P230 HydrophobicContact CD1-CG 4.19Å; I83-P230 HydrophobicContact CG2-CB 4.09Å; I83-P230 HydrophobicContact CG2-CG 3.64Å; I83-N231 VanDerWaalsContact CD1-O 3.27Å; I83-N231 WeakPolarHBondContact CD1-O 3.19Å; I83-L232 HydrophobicContact CD1-CD2 4.34Å; I83-L232 HydrophobicContact CG1-CD2 4.02Å
84P95.7Very high94.5Very high44 Ų4443.4 Ų43.429%0.28625%0.245SC..EExtended strand (participates in β ladder)trans-63.7129.2177.4-23.634.1000111.3Y108 L110 N214P84-Y108 HydrophobicContact CB-CD2 3.82Å; P84-Y108 HydrophobicContact CB-CE2 4.07Å; P84-Y108 HydrophobicContact CB-CG 4.33Å; P84-Y108 HydrophobicContact CG-CE2 4.36Å; P84-L110 HydrophobicContact CG-CD1 4.08Å; P84-N214 WeakPolarHBondContact O-CA 3.28Å; P84-N214 VanDerWaalsContact O-CB 3.29Å; P84-N214 WeakPolarHBondContact O-CB 3.12Å; P84-N214 PolarHBondContact O-ND2 2.91Å
85M95.2Very high94.1Very high0 Ų044.2 Ų44.20%026%0.256CS..EExtended strand (participates in β ladder)trans-108.5104.7170.7-59.8-178.2-74.400108.3I83 Y102 Y108 I109 N214 L216 L229 P230I83-M85 PolarHBondContact O-N 2.99Å; M85-Y102 HydrophobicContact CB-CE2 4.36Å; M85-Y102 VanDerWaalsContact O-CD2 3.23Å; M85-Y102 WeakPolarHBondContact O-CD2 3.35Å; M85-Y102 WeakPolarHBondContact O-CE2 3.32Å; M85-Y108 WeakPolarHBondContact O-CB 3.47Å; M85-I109 HydrophobicContact CB-CG1 4.09Å; M85-I109 HydrophobicContact CE-CD1 3.55Å; M85-I109 HydrophobicContact CE-CG1 3.8Å; M85-I109 PolarHBondContact N-O 3.12Å; M85-I109 PolarHBondContact O-N 2.83Å; M85-N214 WeakPolarHBondContact CA-O 3.38Å; M85-L216 HydrophobicContact SD-CB 3.83Å; M85-L216 HydrophobicContact SD-CD1 4.3Å; M85-L229 HydrophobicContact CE-CD2 4Å; M85-L229 HydrophobicContact CE-CG 4.37Å; M85-L229 HydrophobicContact SD-CG 4.29Å; M85-P230 HydrophobicContact CG-CG 4.34Å; M85-P230 HydrophobicContact SD-CG 4.48Å
86N93.3Very high93.9Very high78 Ų7849.5 Ų49.542%0.41728%0.279SS..  trans-86.5-14.3-172-60.7-52.3000113Y102 N214N86-Y102 WeakPolarHBondContact O-CD2 3.44Å; N86-Y102 PolarHBondContact O-N 3.16Å; N86-N214 PolarHBondContact N-O 2.9Å
87A91.8Very high93.9Very high6 Ų647.3 Ų47.35%0.0527%0.265CS..EExtended strand (participates in β ladder)trans-156.9165.4-178.800000110.3I100 Y102 Y215 L216A87-I100 CarbonylContact C-O 3.44Å; A87-I100 WeakPolarHBondContact CA-O 3.47Å; A87-I100 WeakPolarHBondContact CB-O 3.43Å; A87-Y102 VanDerWaalsContact C-CE2 3.42Å; A87-Y215 HydrophobicContact CB-CD1 3.57Å; A87-Y215 HydrophobicContact CB-CE1 3.48Å; A87-Y215 VanDerWaalsContact CB-CE1 3.48Å; A87-Y215 WeakPolarHBondContact O-CA 3.44Å; A87-L216 PolarHBondContact O-N 3Å
88R93.6Very high93.8Very high39 Ų3945.5 Ų45.515%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-86.1136.7165.4-58.4167.6179.9102.2-4.6108.1I90 P99 I100 Y102 L216 I218 L386R88-I90 HydrophobicContact CB-CD1 4.24Å; R88-P99 CarbonylContact O-C 3.58Å; R88-P99 WeakPolarHBondContact O-CA 3.24Å; R88-I100 HydrophobicContact CB-CB 4.49Å; R88-I100 PolarHBondContact N-O 2.84Å; R88-I100 PolarHBondContact O-N 3.03Å; R88-Y102 HydrophobicContact CG-CE1 3.79Å; R88-Y102 HydrophobicContact CG-CE2 4.39Å; R88-Y102 WeakPolarHBondContact CG-OH 3.45Å; R88-L216 CarbonylContact C-O 3.33Å; R88-L216 WeakPolarHBondContact CA-O 3.45Å; R88-I218 HydrophobicContact CB-CD1 4.18Å; R88-I218 HydrophobicContact CG-CD1 4.21Å; R88-L386 VanDerWaalsContact CD-CD2 3.47Å; R88-L386 PolarHBondContact NH1-O 3.45Å
89M96.5Very high93.8Very high3 Ų348.8 Ų48.82%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-106.1111.8170-174.764.674.900108.4H91 Q97 P99 K212 Y215 L216 H217 I218M89-H91 PolarHBondContact O-CD2 2.78Å; M89-Q97 HydrophobicContact CG-CB 4.42Å; M89-Q97 HydrophobicContact SD-CB 3.79Å; M89-P99 HydrophobicContact CE-CB 4.17Å; M89-P99 HydrophobicContact SD-CB 4.26Å; M89-K212 HydrophobicContact CE-CD 4.14Å; M89-Y215 HydrophobicContact CB-CD1 3.88Å; M89-Y215 HydrophobicContact CB-CG 3.94Å; M89-Y215 HydrophobicContact CE-CD1 3.76Å; M89-Y215 HydrophobicContact CE-CD2 4.05Å; M89-Y215 HydrophobicContact CE-CE1 3.62Å; M89-Y215 HydrophobicContact CE-CE2 3.94Å; M89-Y215 HydrophobicContact CE-CG 3.98Å; M89-L216 PolarHBondContact N-O 2.9Å; M89-H217 WeakPolarHBondContact O-CA 3.5Å; M89-I218 PolarHBondContact O-N 3.27Å
90I95.8Very high93.6Very high16 Ų1649.2 Ų49.28%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-91.4125.7-179.7-51.5-52.6000109.8R88 Q97 S98 I100 I218 P220 V382 L386R88-I90 HydrophobicContact CB-CD1 4.24Å; I90-Q97 CarbonylContact O-C 3.58Å; I90-Q97 WeakPolarHBondContact O-CA 3.48Å; I90-S98 PolarHBondContact N-O 3.49Å; I90-S98 PolarHBondContact O-N 2.79Å; I90-I100 HydrophobicContact CD1-CD1 4.48Å; I90-I100 HydrophobicContact CG1-CD1 3.69Å; I90-I100 HydrophobicContact CG1-CG1 4.36Å; I90-I218 WeakPolarHBondContact CA-O 3.33Å; I90-I218 HydrophobicContact CD1-CB 3.95Å; I90-I218 HydrophobicContact CD1-CD1 4.09Å; I90-I218 HydrophobicContact CD1-CG1 4.37Å; I90-P220 HydrophobicContact CG2-CG 3.85Å; I90-V382 HydrophobicContact CG1-CG1 4.45Å; I90-V382 HydrophobicContact CG2-CG1 4.37Å; I90-L386 HydrophobicContact CD1-CD1 3.75Å; I90-L386 HydrophobicContact CG1-CD1 4.15Å
91H95.7Very high93.3Very high0 Ų049.5 Ų49.50%029%0.285CS..EExtended strand (participates in β ladder)trans-103.4108.7175.8-67.9-114.6000109.9M89 Q97 H217 I218 W219 R221 D266M89-H91 PolarHBondContact O-CD2 2.78Å; H91-Q97 PolarHBondContact CE1-NE2 3.49Å; H91-Q97 VanDerWaalsContact CE1-NE2 3.3Å; H91-H217 AromaticContact CD2-ND1 3.87Å; H91-H217 AromaticContact CE1-ND1 3.68Å; H91-H217 AromaticContact NE2-CE1 3.76Å; H91-H217 AromaticContact NE2-CG 3.79Å; H91-H217 AromaticContact NE2-ND1 2.82Å; H91-H217 PolarHBondContact NE2-ND1 2.53Å; H91-I218 PolarHBondContact N-O 3.04Å; H91-W219 HydrophobicContact CB-CB 4.49Å; H91-W219 HydrophobicContact CB-CD2 3.77Å; H91-W219 HydrophobicContact CB-CG 3.64Å; H91-W219 HydrophobicContact CB-CZ2 4.26Å; H91-W219 AromaticContact CD2-CE2 3.85Å; H91-W219 AromaticContact CD2-CZ2 3.79Å; H91-W219 AromaticContact CE1-CE2 3.94Å; H91-W219 AromaticContact CE1-CH2 3.82Å; H91-W219 AromaticContact CE1-CZ2 3.33Å; H91-W219 WeakPolarHBondContact CE1-CZ2 3.31Å; H91-W219 AromaticContact CG-CD2 3.86Å; H91-W219 AromaticContact CG-CE2 3.33Å; H91-W219 AromaticContact CG-CZ2 3.55Å; H91-W219 AromaticContact CG-NE1 3.49Å; H91-W219 AromaticContact ND1-CE2 3.41Å; H91-W219 AromaticContact ND1-CZ2 3.25Å; H91-W219 VanDerWaalsContact ND1-CZ2 3.25Å; H91-W219 WeakPolarHBondContact ND1-CZ2 3.35Å; H91-W219 AromaticContact ND1-NE1 3.53Å; H91-W219 AromaticContact NE2-CH2 3.79Å; H91-W219 AromaticContact NE2-CZ2 3.71Å; H91-R221 PolarHBondContact O-NH1 2.93Å; H91-D266 IonicContact CE1-OD2 2.87Å; H91-D266 IonicContact CG-OD2 3.58Å; H91-D266 IonicContact ND1-OD2 3.62Å; H91-D266 PolarHBondContact ND1-OD2 3.07Å
92S93.1Very high92.8Very high39 Ų3946.5 Ų46.527%0.27327%0.271SS..  trans-71.7170.1176.974.70000112S94 G95 K96 R221S92-S94 PolarHBondContact O-N 2.8Å; S92-S94 PolarHBondContact OG-N 2.78Å; S92-S94 PolarHBondContact OG-OG 3.03Å; S92-G95 PolarHBondContact O-N 3.36Å; S92-G95 VanDerWaalsContact O-N 3.12Å; S92-G95 PolarHBondContact OG-N 2.99Å; S92-K96 PolarHBondContact N-O 3.03Å; S92-K96 WeakPolarHBondContact OG-CB 3.24Å; S92-K96 PolarHBondContact OG-N 2.92Å; S92-K96 PolarHBondContact OG-O 2.86Å; S92-R221 PolarHBondContact O-NH2 3.36Å
93L91.9Very high92.1Very high100 Ų10048.3 Ų48.352%0.52429%0.29SS..THydrogen-bonded Turntrans-61.8-32.9173.1-168.165.7000112.6G95 K262 Y263 P265L93-G95 PolarHBondContact O-N 3.07Å; L93-K262 WeakPolarHBondContact CD1-O 3.47Å; L93-Y263 WeakPolarHBondContact CD1-O 3.35Å; L93-P265 WeakPolarHBondContact O-CG 3.39Å
94S91.4Very high91.3Very high105 Ų10554 Ų5473%0.73431%0.314SS*.THydrogen-bonded Turntrans-76.1-0.2176.461.30000114.1S92 K96S92-S94 PolarHBondContact O-N 2.8Å; S92-S94 PolarHBondContact OG-N 2.78Å; S92-S94 PolarHBondContact OG-OG 3.03Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 3.4Å
95G88.8Confident90.4Very high30 Ų3062.3 Ų62.331%0.30935%0.346SS..  trans79.54.8-175.100000114.5S92 L93S92-G95 PolarHBondContact O-N 3.36Å; S92-G95 VanDerWaalsContact O-N 3.12Å; S92-G95 PolarHBondContact OG-N 2.99Å; L93-G95 PolarHBondContact O-N 3.07Å
96K93.2Very high89.5Confident139 Ų13965.4 Ų65.460%0.60438%0.378SS*.  trans-69132.8174.4-178.4-179.6175.2-179.90109.8S92 S94S92-K96 PolarHBondContact N-O 3.03Å; S92-K96 WeakPolarHBondContact OG-CB 3.24Å; S92-K96 PolarHBondContact OG-N 2.92Å; S92-K96 PolarHBondContact OG-O 2.86Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 3.4Å
97Q95.3Very high89.1Confident88 Ų8863.8 Ų63.841%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-100.8128.4176.6-68.1-179.5-0.400110.9M89 I90 H91M89-Q97 HydrophobicContact CG-CB 4.42Å; M89-Q97 HydrophobicContact SD-CB 3.79Å; I90-Q97 CarbonylContact O-C 3.58Å; I90-Q97 WeakPolarHBondContact O-CA 3.48Å; H91-Q97 PolarHBondContact CE1-NE2 3.49Å; H91-Q97 VanDerWaalsContact CE1-NE2 3.3Å
98S94.3Very high89Confident46 Ų4666.9 Ų66.932%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-129112.4-179.9-61.90000110.6I90I90-S98 PolarHBondContact N-O 3.49Å; I90-S98 PolarHBondContact O-N 2.79Å
99P93.6Very high89Confident74 Ų7465.9 Ų65.948%0.48138%0.376SS..EExtended strand (participates in β ladder)trans-79.3138.1177.731.7-33.9000111.8R88 M89 Y215R88-P99 CarbonylContact O-C 3.58Å; R88-P99 WeakPolarHBondContact O-CA 3.24Å; M89-P99 HydrophobicContact CE-CB 4.17Å; M89-P99 HydrophobicContact SD-CB 4.26Å; P99-Y215 HydrophobicContact CB-CE1 3.68Å
100I90.3Very high88.9Confident41 Ų4165.7 Ų65.721%0.2138%0.375CS..EExtended strand (participates in β ladder)trans-129.4105.6176-59.7173.5000108.2A87 R88 I90 L386A87-I100 CarbonylContact C-O 3.44Å; A87-I100 WeakPolarHBondContact CA-O 3.47Å; A87-I100 WeakPolarHBondContact CB-O 3.43Å; R88-I100 HydrophobicContact CB-CB 4.49Å; R88-I100 PolarHBondContact N-O 2.84Å; R88-I100 PolarHBondContact O-N 3.03Å; I90-I100 HydrophobicContact CD1-CD1 4.48Å; I90-I100 HydrophobicContact CG1-CD1 3.69Å; I90-I100 HydrophobicContact CG1-CG1 4.36Å; I100-L386 HydrophobicContact CD1-CD1 3.43Å; I100-L386 VanDerWaalsContact CD1-CD1 3.43Å
101P88.4Confident88.9Confident96 Ų9665.1 Ų65.162%0.62337%0.372SS*.EExtended strand (participates in β ladder)trans-56.1150.1180-25.634.9000114
102Y82.3Confident88.8Confident6 Ų665.4 Ų65.42%0.02437%0.374CS..  trans-74.4132.6165.7-68.2-74.9000109.9M85 N86 A87 R88 K104 I109 L216M85-Y102 HydrophobicContact CB-CE2 4.36Å; M85-Y102 VanDerWaalsContact O-CD2 3.23Å; M85-Y102 WeakPolarHBondContact O-CD2 3.35Å; M85-Y102 WeakPolarHBondContact O-CE2 3.32Å; N86-Y102 WeakPolarHBondContact O-CD2 3.44Å; N86-Y102 PolarHBondContact O-N 3.16Å; A87-Y102 VanDerWaalsContact C-CE2 3.42Å; R88-Y102 HydrophobicContact CG-CE1 3.79Å; R88-Y102 HydrophobicContact CG-CE2 4.39Å; R88-Y102 WeakPolarHBondContact CG-OH 3.45Å; Y102-K104 PolarHBondContact O-N 2.9Å; Y102-I109 HydrophobicContact CD2-CG1 4.44Å; Y102-I109 HydrophobicContact CE1-CD1 4.13Å; Y102-I109 HydrophobicContact CE1-CG1 4.23Å; Y102-I109 HydrophobicContact CE2-CD1 4.24Å; Y102-I109 HydrophobicContact CE2-CG1 3.79Å; Y102-I109 VanDerWaalsContact OH-CD1 3.23Å; Y102-I109 WeakPolarHBondContact OH-CD1 3.23Å; Y102-L216 WeakPolarHBondContact OH-CB 3.1Å; Y102-L216 WeakPolarHBondContact OH-CD2 3.32Å
103G79Confident88.6Confident48 Ų4866.2 Ų66.250%0.49538%0.375SS..SBendtrans35.8-122.7170.200000116.1
104K79.1Confident88.5Confident135 Ų13565.9 Ų65.959%0.58737%0.367SS*.SBendtrans-92.5160176.9-62.3-180-176.7175.10110.9Y102 G106 Q107 Q407Y102-K104 PolarHBondContact O-N 2.9Å; K104-G106 PolarHBondContact O-N 3.3Å; K104-Q107 WeakPolarHBondContact O-CB 3.3Å; K104-Q107 PolarHBondContact O-N 2.8Å; K104-Q407 VanDerWaalsContact CE-OE1 3.28Å
105K76.8Confident88.4Confident219 Ų21962 Ų6295%0.95234%0.341SS*.THydrogen-bonded Turntrans-51.9125.4177-169.3178.4-177.6-178.60111.1
106G76.4Confident88.5Confident65 Ų6562.6 Ų62.667%0.6734%0.338SS*.THydrogen-bonded Turntrans93.8-6.9179.400000115K104 Y108K104-G106 PolarHBondContact O-N 3.3Å; G106-Y108 WeakPolarHBondContact O-CD1 3.35Å
107Q84.1Confident88.5Confident44 Ų4456.1 Ų56.121%0.20631%0.309CS..  trans-79.9135.6169.8-63.4-175.4-70.800110.2K104 Q407K104-Q107 WeakPolarHBondContact O-CB 3.3Å; K104-Q107 PolarHBondContact O-N 2.8Å; Q107-Q407 PolarHBondContact NE2-O 2.86Å
108Y89.6Confident88.5Confident71 Ų7152.3 Ų52.328%0.27829%0.292SS..  trans-152154.4177.864.8-89.2000110R66 P84 M85 G106 L110R66-Y108 PolarHBondContact NH1-OH 3.41Å; P84-Y108 HydrophobicContact CB-CD2 3.82Å; P84-Y108 HydrophobicContact CB-CE2 4.07Å; P84-Y108 HydrophobicContact CB-CG 4.33Å; P84-Y108 HydrophobicContact CG-CE2 4.36Å; M85-Y108 WeakPolarHBondContact O-CB 3.47Å; G106-Y108 WeakPolarHBondContact O-CD1 3.35Å; Y108-L110 HydrophobicContact CE2-CD1 4.24Å
109I93.3Very high88.6Confident18 Ų1853.3 Ų53.39%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-100.3155.5163.756.5164.7000109A60 M85 Y102 L216A60-I109 HydrophobicContact CB-CD1 3.91Å; M85-I109 HydrophobicContact CB-CG1 4.09Å; M85-I109 HydrophobicContact CE-CD1 3.55Å; M85-I109 HydrophobicContact CE-CG1 3.8Å; M85-I109 PolarHBondContact N-O 3.12Å; M85-I109 PolarHBondContact O-N 2.83Å; Y102-I109 HydrophobicContact CD2-CG1 4.44Å; Y102-I109 HydrophobicContact CE1-CD1 4.13Å; Y102-I109 HydrophobicContact CE1-CG1 4.23Å; Y102-I109 HydrophobicContact CE2-CD1 4.24Å; Y102-I109 HydrophobicContact CE2-CG1 3.79Å; Y102-I109 VanDerWaalsContact OH-CD1 3.23Å; Y102-I109 WeakPolarHBondContact OH-CD1 3.23Å; I109-L216 HydrophobicContact CD1-CD2 4.39Å
110L94.7Very high88.7Confident0 Ų050.8 Ų50.80%027%0.272CS..EExtended strand (participates in β ladder)trans-110.1127.6-176.7-169.580.3000109.6L61 V79 P84 Y108 V112L61-L110 HydrophobicContact CB-CB 4.23Å; L61-L110 HydrophobicContact CD2-CD2 4.02Å; L61-L110 PolarHBondContact N-O 2.8Å; L61-L110 PolarHBondContact O-N 3.14Å; V79-L110 HydrophobicContact CB-CD2 4.39Å; V79-L110 HydrophobicContact CG2-CD2 4.19Å; P84-L110 HydrophobicContact CG-CD1 4.08Å; Y108-L110 HydrophobicContact CE2-CD1 4.24Å; L110-V112 HydrophobicContact CB-CG1 4.48Å; L110-V112 HydrophobicContact CD2-CG1 3.54Å; L110-V112 HydrophobicContact CG-CG1 3.93Å
111S95.6Very high89.1Confident3 Ų348.9 Ų48.92%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-77.3123.5167.8-168.80000109.4G82 I83 P230G82-S111 CarbonylContact C-O 3.56Å; G82-S111 WeakPolarHBondContact CA-O 3.41Å; I83-S111 PolarHBondContact N-O 3.17Å; I83-S111 PolarHBondContact O-N 2.73Å; S111-P230 PolarHBondContact OG-O 3.26Å; S111-P230 VanDerWaalsContact OG-O 3.09Å
112V93.5Very high89.6Confident6 Ų644.4 Ų44.44%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-128.5139.9178.1-60.80000110.9L59 L61 I78 L110 R114 L117L59-V112 HydrophobicContact CB-CG2 3.92Å; L59-V112 PolarHBondContact N-O 3.22Å; L59-V112 PolarHBondContact O-N 2.93Å; L61-V112 HydrophobicContact CB-CG1 4.12Å; L61-V112 HydrophobicContact CB-CG2 4.02Å; L61-V112 HydrophobicContact CD2-CG1 4.18Å; I78-V112 HydrophobicContact CG2-CG1 4.16Å; L110-V112 HydrophobicContact CB-CG1 4.48Å; L110-V112 HydrophobicContact CD2-CG1 3.54Å; L110-V112 HydrophobicContact CG-CG1 3.93Å; V112-R114 PolarHBondContact O-N 3.48Å; V112-L117 HydrophobicContact CG2-CD2 4.15Å
113D90.1Very high90.3Very high57 Ų5746.7 Ų46.731%0.30525%0.248SC..  trans-70.4124.7170.8170.4-124.5000109.8A115 N116 L117D113-A115 VanDerWaalsContact C-N 3.33Å; D113-A115 PolarHBondContact O-N 3.41Å; D113-A115 PolarHBondContact OD1-N 3.35Å; D113-A115 PolarHBondContact OD2-N 3.18Å; D113-N116 HydrophobicContact CB-CB 4.07Å; D113-N116 WeakPolarHBondContact OD1-CB 3.43Å; D113-N116 PolarHBondContact OD1-N 3.11Å; D113-L117 WeakPolarHBondContact O-CB 3.35Å; D113-L117 PolarHBondContact O-N 3.27Å
114R89.6Confident91.2Very high93 Ų9345 Ų4535%0.35123%0.229SC..Hα-helixtrans-60.6-42.9-178.6177.6175.3-171.2177.612.5111.7L21 R55 L59 V112 N118L21-R114 HydrophobicContact CD1-CG 4.37Å; R55-R114 PolarHBondContact O-NH1 3.14Å; L59-R114 HydrophobicContact CD1-CB 3.81Å; L59-R114 HydrophobicContact CD1-CG 3.82Å; L59-R114 HydrophobicContact CG-CB 4.14Å; V112-R114 PolarHBondContact O-N 3.48Å; R114-N118 PolarHBondContact O-N 3.29Å
115A89.1Confident92.1Very high23 Ų2338.5 Ų38.519%0.1920%0.201CC..Hα-helixtrans-68.2-46.6-175.500000110.7D113 N118 K119D113-A115 VanDerWaalsContact C-N 3.33Å; D113-A115 PolarHBondContact O-N 3.41Å; D113-A115 PolarHBondContact OD1-N 3.35Å; D113-A115 PolarHBondContact OD2-N 3.18Å; A115-N118 PolarHBondContact O-N 2.9Å; A115-K119 VanDerWaalsContact O-CG 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.35Å; A115-K119 PolarHBondContact O-N 3.34Å
116N90.2Very high93.1Very high43 Ų4332.7 Ų32.723%0.2318%0.177CC..Hα-helixtrans-63.1-45.2176.4-177.570.4000111.8D113 N118 K119 E120D113-N116 HydrophobicContact CB-CB 4.07Å; D113-N116 WeakPolarHBondContact OD1-CB 3.43Å; D113-N116 PolarHBondContact OD1-N 3.11Å; N116-N118 VanDerWaalsContact C-N 3.28Å; N116-N118 PolarHBondContact O-N 3.14Å; N116-K119 PolarHBondContact O-N 3.35Å; N116-E120 WeakPolarHBondContact O-CB 3.29Å; N116-E120 VanDerWaalsContact O-CG 3.28Å; N116-E120 WeakPolarHBondContact O-CG 3.4Å; N116-E120 PolarHBondContact O-N 3.09Å
117L94.2Very high94.1Very high2 Ų234.6 Ų34.61%0.0118%0.176CC..Hα-helixtrans-55.8-45.3174.9177.158.9000111.4L21 L69 I78 V112 D113 E120 L121 M320 F324L21-L117 HydrophobicContact CD2-CB 4.22Å; L21-L117 HydrophobicContact CD2-CD2 3.95Å; L21-L117 HydrophobicContact CD2-CG 3.85Å; L69-L117 HydrophobicContact CD1-CD1 4.49Å; L69-L117 HydrophobicContact CD2-CD1 4.38Å; I78-L117 HydrophobicContact CB-CD1 4.42Å; I78-L117 HydrophobicContact CD1-CD1 3.48Å; I78-L117 VanDerWaalsContact CD1-CD1 3.48Å; I78-L117 HydrophobicContact CG1-CD1 3.69Å; I78-L117 HydrophobicContact CG2-CD1 3.83Å; V112-L117 HydrophobicContact CG2-CD2 4.15Å; D113-L117 WeakPolarHBondContact O-CB 3.35Å; D113-L117 PolarHBondContact O-N 3.27Å; L117-E120 PolarHBondContact O-N 3.03Å; L117-L121 HydrophobicContact CD1-CD1 4.08Å; L117-L121 HydrophobicContact CD1-CG 4.3Å; L117-L121 HydrophobicContact CG-CD1 4.18Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 3.19Å; L117-M320 HydrophobicContact CD2-SD 3.53Å; L117-M320 VanDerWaalsContact CD2-SD 3.53Å; L117-F324 HydrophobicContact CD2-CE2 4.4Å; L117-F324 HydrophobicContact CD2-CZ 4.19Å
118N95.3Very high94.8Very high8 Ų835 Ų354%0.04318%0.176CC..Hα-helixtrans-66-43.2178.1-158.447.7000112.1A19 G20 L21 I46 R114 A115 N116 E120 L121 L122A19-N118 PolarHBondContact O-ND2 2.87Å; A19-N118 PolarHBondContact O-OD1 3.39Å; G20-N118 PolarHBondContact O-OD1 3.43Å; L21-N118 HydrophobicContact CD2-CB 3.76Å; L21-N118 PolarHBondContact N-OD1 3.43Å; I46-N118 HydrophobicContact CD1-CB 3.72Å; I46-N118 VanDerWaalsContact CD1-ND2 3.35Å; I46-N118 WeakPolarHBondContact CD1-ND2 3.44Å; R114-N118 PolarHBondContact O-N 3.29Å; A115-N118 PolarHBondContact O-N 2.9Å; N116-N118 VanDerWaalsContact C-N 3.28Å; N116-N118 PolarHBondContact O-N 3.14Å; N118-E120 VanDerWaalsContact C-N 3.3Å; N118-E120 PolarHBondContact O-N 3.07Å; N118-L121 PolarHBondContact O-N 3.25Å; N118-L122 VanDerWaalsContact O-CG 3.23Å; N118-L122 WeakPolarHBondContact O-CG 3.24Å; N118-L122 PolarHBondContact O-N 3.08Å
119K94.9Very high95.2Very high68 Ų6838 Ų3830%0.29620%0.204SC..Hα-helixtrans-56.9-45.5176.3-74173.7178.5-175.60111.5I46 R47 A115 N116 L122 T123I46-K119 HydrophobicContact CD1-CG 3.7Å; I46-K119 HydrophobicContact CG1-CG 3.88Å; I46-K119 WeakPolarHBondContact O-CE 3.33Å; R47-K119 HydrophobicContact CG-CB 4.04Å; R47-K119 HydrophobicContact CG-CG 3.84Å; A115-K119 VanDerWaalsContact O-CG 3.29Å; A115-K119 WeakPolarHBondContact O-CG 3.35Å; A115-K119 PolarHBondContact O-N 3.34Å; N116-K119 PolarHBondContact O-N 3.35Å; K119-L122 PolarHBondContact O-N 3.11Å; K119-T123 WeakPolarHBondContact O-CB 3.28Å; K119-T123 PolarHBondContact O-N 3.04Å; K119-T123 PolarHBondContact O-OG1 2.86Å
120E96.8Very high95.4Very high21 Ų2138 Ų3810%0.09820%0.204CC..Hα-helixtrans-65.5-40.6-179.5-69.6-64174.600112.3M74 K77 I78 K81 N116 L117 N118 T123 A124M74-E120 HydrophobicContact CE-CB 3.81Å; M74-E120 WeakPolarHBondContact CE-O 3.49Å; K77-E120 WeakPolarHBondContact CE-OE2 3.35Å; K77-E120 IonicContact NZ-OE2 2.77Å; K77-E120 PolarHBondContact NZ-OE2 2.91Å; I78-E120 HydrophobicContact CD1-CB 3.7Å; I78-E120 HydrophobicContact CD1-CG 4.06Å; K81-E120 IonicContact NZ-OE1 2.92Å; K81-E120 PolarHBondContact NZ-OE1 3.09Å; N116-E120 WeakPolarHBondContact O-CB 3.29Å; N116-E120 VanDerWaalsContact O-CG 3.28Å; N116-E120 WeakPolarHBondContact O-CG 3.4Å; N116-E120 PolarHBondContact O-N 3.09Å; L117-E120 PolarHBondContact O-N 3.03Å; N118-E120 VanDerWaalsContact C-N 3.3Å; N118-E120 PolarHBondContact O-N 3.07Å; E120-T123 PolarHBondContact O-N 3.26Å; E120-A124 WeakPolarHBondContact O-CB 3.09Å; E120-A124 PolarHBondContact O-N 3.09Å
121L98.1Very high95.6Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-67.8-40.6175.4-71.5171.8000112.5A24 L25 L69 M74 L117 N118 A124 A125 F324A24-L121 HydrophobicContact CB-CB 3.7Å; L25-L121 HydrophobicContact CB-CD1 4.43Å; L25-L121 HydrophobicContact CB-CD2 4.48Å; L25-L121 HydrophobicContact CD1-CD2 4.1Å; L69-L121 HydrophobicContact CD2-CD2 3.75Å; M74-L121 HydrophobicContact CG-CD2 4.48Å; L117-L121 HydrophobicContact CD1-CD1 4.08Å; L117-L121 HydrophobicContact CD1-CG 4.3Å; L117-L121 HydrophobicContact CG-CD1 4.18Å; L117-L121 WeakPolarHBondContact O-CG 3.37Å; L117-L121 PolarHBondContact O-N 3.19Å; N118-L121 PolarHBondContact O-N 3.25Å; L121-A124 PolarHBondContact O-N 2.97Å; L121-A125 WeakPolarHBondContact O-CB 3.45Å; L121-A125 PolarHBondContact O-N 3.36Å; L121-F324 HydrophobicContact CD1-CE1 4.45Å; L121-F324 HydrophobicContact CD1-CZ 3.83Å
122L98.4Very high95.8Very high2 Ų244 Ų441%0.0123%0.231CC..Hα-helixtrans-61.9-45.4174.6-69.1170.7000111.2A19 A24 I46 N118 K119 A124 A125 E126 L133 F135A19-L122 HydrophobicContact CB-CD2 3.61Å; A24-L122 HydrophobicContact CB-CD2 3.9Å; A24-L122 HydrophobicContact CB-CG 4.28Å; I46-L122 HydrophobicContact CD1-CD1 4.05Å; I46-L122 HydrophobicContact CG1-CD1 3.8Å; N118-L122 VanDerWaalsContact O-CG 3.23Å; N118-L122 WeakPolarHBondContact O-CG 3.24Å; N118-L122 PolarHBondContact O-N 3.08Å; K119-L122 PolarHBondContact O-N 3.11Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.32Å; L122-A125 PolarHBondContact O-N 3.13Å; L122-E126 WeakPolarHBondContact O-CB 3.39Å; L122-E126 PolarHBondContact O-N 3.02Å; L122-L133 HydrophobicContact CB-CD1 4.39Å; L122-L133 HydrophobicContact CD2-CD1 4.37Å; L122-F135 HydrophobicContact CD1-CE1 4.26Å; L122-F135 HydrophobicContact CD1-CZ 4.21Å; L122-F135 HydrophobicContact CD2-CZ 4.32Å
123T98.1Very high96Very high54 Ų5445 Ų4533%0.33124%0.236SC..Hα-helixtrans-62.3-40.7174.8-68.60000111.4R47 K119 E120 E126 T127R47-T123 WeakPolarHBondContact CD-OG1 3.28Å; R47-T123 PolarHBondContact NH1-OG1 2.86Å; K119-T123 WeakPolarHBondContact O-CB 3.28Å; K119-T123 PolarHBondContact O-N 3.04Å; K119-T123 PolarHBondContact O-OG1 2.86Å; E120-T123 PolarHBondContact O-N 3.26Å; T123-E126 PolarHBondContact O-N 3.44Å; T123-T127 WeakPolarHBondContact O-CG2 3.37Å; T123-T127 PolarHBondContact O-N 2.99Å
124A98.2Very high96.4Very high12 Ų1243.1 Ų43.110%0.09923%0.227CC..Hα-helixtrans-62.3-46.1175.400000112M74 E120 L121 L122 E126 T127 Y128M74-A124 HydrophobicContact CE-CB 3.93Å; M74-A124 HydrophobicContact CG-CB 4.07Å; M74-A124 HydrophobicContact SD-CB 3.63Å; E120-A124 WeakPolarHBondContact O-CB 3.09Å; E120-A124 PolarHBondContact O-N 3.09Å; L121-A124 PolarHBondContact O-N 2.97Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.32Å; A124-E126 VanDerWaalsContact C-N 3.3Å; A124-E126 PolarHBondContact O-N 2.94Å; A124-T127 PolarHBondContact O-N 3.19Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.09Å; A124-Y128 WeakPolarHBondContact O-CD2 3.33Å; A124-Y128 WeakPolarHBondContact O-CE2 3.35Å
125A98.2Very high96.8Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-59.9-40.1177.400000111.9A27 C28 L121 L122 T127 Y128 T131 L133A27-A125 HydrophobicContact CB-CB 4.01Å; C28-A125 VanDerWaalsContact SG-CA 3.58Å; C28-A125 PolarHBondContact SG-N 3.33Å; L121-A125 WeakPolarHBondContact O-CB 3.45Å; L121-A125 PolarHBondContact O-N 3.36Å; L122-A125 PolarHBondContact O-N 3.13Å; A125-T127 PolarHBondContact O-N 3.4Å; A125-Y128 WeakPolarHBondContact O-CD2 3.37Å; A125-Y128 PolarHBondContact O-N 3.38Å; A125-T131 HydrophobicContact CB-CG2 4.28Å; A125-T131 VanDerWaalsContact O-CB 3.27Å; A125-T131 WeakPolarHBondContact O-CB 3.38Å; A125-T131 WeakPolarHBondContact O-CG2 3.38Å; A125-L133 HydrophobicContact CB-CD2 4.47Å
126E97.4Very high97.1Very high96 Ų9641.6 Ų41.645%0.44922%0.221SC..Hα-helixtrans-69.3-15.6179.2-162.8174.2-116.100113.8R47 L122 T123 A124 Y128 L133R47-E126 IonicContact CZ-OE1 3.38Å; R47-E126 IonicContact CZ-OE2 3.67Å; R47-E126 IonicContact NH1-OE1 3.78Å; R47-E126 IonicContact NH1-OE2 3.74Å; R47-E126 PolarHBondContact NH1-OE2 2.84Å; R47-E126 IonicContact NH2-OE1 2.68Å; R47-E126 PolarHBondContact NH2-OE1 3.5Å; R47-E126 IonicContact NH2-OE2 2.91Å; R47-E126 PolarHBondContact NH2-OE2 3.24Å; L122-E126 WeakPolarHBondContact O-CB 3.39Å; L122-E126 PolarHBondContact O-N 3.02Å; T123-E126 PolarHBondContact O-N 3.44Å; A124-E126 VanDerWaalsContact C-N 3.3Å; A124-E126 PolarHBondContact O-N 2.94Å; E126-Y128 PolarHBondContact O-N 3.11Å; E126-L133 HydrophobicContact CB-CD1 3.96Å; E126-L133 HydrophobicContact CG-CD1 4.35Å
127T97.9Very high97.5Very high106 Ų10640.4 Ų40.465%0.6521%0.214SC*.THydrogen-bonded Turntrans-72.5-17.9174.963.40000113.4T123 A124 A125T123-T127 WeakPolarHBondContact O-CG2 3.37Å; T123-T127 PolarHBondContact O-N 2.99Å; A124-T127 PolarHBondContact O-N 3.19Å; A124-T127 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-OG1 3.09Å; A125-T127 PolarHBondContact O-N 3.4Å
128Y98.2Very high97.6Very high52 Ų5245.7 Ų45.720%0.20424%0.237CC..SBendtrans-81.1125.8177.4-67.1-87.4000110.1C28 A31 K32 A124 A125 E126 N130 T131C28-Y128 HydrophobicContact CB-CE2 4.15Å; A31-Y128 HydrophobicContact CB-CD1 3.81Å; A31-Y128 HydrophobicContact CB-CD2 3.98Å; A31-Y128 HydrophobicContact CB-CG 3.53Å; K32-Y128 HydrophobicContact CB-CE1 4.44Å; K32-Y128 WeakPolarHBondContact CD-OH 3.42Å; K32-Y128 HydrophobicContact CG-CE1 3.44Å; K32-Y128 VanDerWaalsContact CG-CE1 3.44Å; K32-Y128 WeakPolarHBondContact CG-OH 3.34Å; A124-Y128 WeakPolarHBondContact O-CD2 3.33Å; A124-Y128 WeakPolarHBondContact O-CE2 3.35Å; A125-Y128 WeakPolarHBondContact O-CD2 3.37Å; A125-Y128 PolarHBondContact O-N 3.38Å; E126-Y128 PolarHBondContact O-N 3.11Å; Y128-N130 PolarHBondContact O-N 2.91Å; Y128-T131 PolarHBondContact O-N 3.32Å
129P97.9Very high97.8Very high135 Ų13545.9 Ų45.988%0.87724%0.238SC*.THydrogen-bonded Turntrans-66.5-20.6-175.527-35.3000113.8
130N98.1Very high97.8Very high17 Ų1747.7 Ų47.79%0.09125%0.247CC..THydrogen-bonded Turntrans-95.218.2176.657.8-37.2000112.8A31 F35 V37 Y128A31-N130 PolarHBondContact O-ND2 2.74Å; F35-N130 PolarHBondContact O-ND2 3.36Å; V37-N130 PolarHBondContact N-O 3.07Å; Y128-N130 PolarHBondContact O-N 2.91Å
131T98.6Very high97.7Very high17 Ų1750.6 Ų50.610%0.10426%0.264CS..EExtended strand (participates in β ladder)trans-120.6131.6176.5-62.10000111.4A31 V37 V39 A125 Y128 L133A31-T131 WeakPolarHBondContact CB-OG1 3.13Å; V37-T131 HydrophobicContact CB-CG2 4.42Å; V37-T131 HydrophobicContact CG1-CG2 4.46Å; V37-T131 CarbonylContact O-C 3.47Å; V37-T131 WeakPolarHBondContact O-CA 3.44Å; V39-T131 HydrophobicContact CG2-CG2 4.44Å; A125-T131 HydrophobicContact CB-CG2 4.28Å; A125-T131 VanDerWaalsContact O-CB 3.27Å; A125-T131 WeakPolarHBondContact O-CB 3.38Å; A125-T131 WeakPolarHBondContact O-CG2 3.38Å; Y128-T131 PolarHBondContact O-N 3.32Å; T131-L133 HydrophobicContact CG2-CD2 4.09Å
132K98.5Very high97.6Very high111 Ų11151.3 Ų51.348%0.48327%0.266SS..EExtended strand (participates in β ladder)trans-123.2126.6176.8-173.3-178.7170.4-152.10110.7V37 E38 V39 N134V37-K132 PolarHBondContact O-N 2.83Å; E38-K132 HydrophobicContact CG-CB 4.43Å; E38-K132 IonicContact OE2-NZ 3.72Å; E38-K132 PolarHBondContact OE2-NZ 3.3Å; V39-K132 PolarHBondContact N-O 3.25Å; K132-N134 WeakPolarHBondContact CE-OD1 3.4Å; K132-N134 PolarHBondContact NZ-OD1 3.5Å
133L98.5Very high97.4Very high27 Ų2752.7 Ų52.714%0.14128%0.276CS..EExtended strand (participates in β ladder)trans-100.3110.9177.5-55.1-175.4000110.6V39 L122 A125 E126 T131 F135V39-L133 HydrophobicContact CB-CD2 3.67Å; V39-L133 HydrophobicContact CG1-CD2 4.34Å; V39-L133 HydrophobicContact CG2-CD2 3.59Å; L122-L133 HydrophobicContact CB-CD1 4.39Å; L122-L133 HydrophobicContact CD2-CD1 4.37Å; A125-L133 HydrophobicContact CB-CD2 4.47Å; E126-L133 HydrophobicContact CB-CD1 3.96Å; E126-L133 HydrophobicContact CG-CD1 4.35Å; T131-L133 HydrophobicContact CG2-CD2 4.09Å; L133-F135 HydrophobicContact CB-CD2 4.33Å; L133-F135 HydrophobicContact CB-CE2 3.7Å; L133-F135 HydrophobicContact CB-CZ 4.23Å; L133-F135 HydrophobicContact CD1-CE2 4.19Å; L133-F135 HydrophobicContact CD1-CZ 4.19Å
134N98.1Very high97Very high19 Ų1950.7 Ų50.710%0.10227%0.265CS..EExtended strand (participates in β ladder)trans-103.182.3-178.6-61.8-67.6000110.3E38 V39 F40 E41 K132 H137E38-N134 PolarHBondContact OE2-ND2 3.31Å; V39-N134 WeakPolarHBondContact O-CA 3.14Å; V39-N134 VanDerWaalsContact O-CB 3.3Å; V39-N134 WeakPolarHBondContact O-CB 3.46Å; V39-N134 PolarHBondContact O-N 2.98Å; F40-N134 WeakPolarHBondContact CA-O 3.27Å; F40-N134 HydrophobicContact CD1-CB 3.55Å; F40-N134 HydrophobicContact CE1-CB 3.77Å; F40-N134 WeakPolarHBondContact CE1-ND2 3.05Å; F40-N134 HydrophobicContact CG-CB 4.3Å; E41-N134 PolarHBondContact N-O 2.89Å; K132-N134 WeakPolarHBondContact CE-OD1 3.4Å; K132-N134 PolarHBondContact NZ-OD1 3.5Å; N134-H137 PolarHBondContact O-ND1 2.77Å
135F97.3Very high96.6Very high27 Ų2755.8 Ų55.812%0.11829%0.287CS..  trans-71.3164.2172.6-61.9-80.7000112.1E41 D45 L122 L133 H137 R153E41-F135 HydrophobicContact CB-CD1 3.89Å; E41-F135 HydrophobicContact CB-CE1 4.33Å; E41-F135 HydrophobicContact CG-CD1 3.88Å; E41-F135 HydrophobicContact CG-CE1 4.27Å; E41-F135 CarbonylContact O-C 3.59Å; D45-F135 HydrophobicContact CB-CD1 3.96Å; D45-F135 HydrophobicContact CB-CD2 3.74Å; D45-F135 HydrophobicContact CB-CE1 4Å; D45-F135 HydrophobicContact CB-CE2 3.77Å; D45-F135 HydrophobicContact CB-CG 3.83Å; D45-F135 HydrophobicContact CB-CZ 3.9Å; L122-F135 HydrophobicContact CD1-CE1 4.26Å; L122-F135 HydrophobicContact CD1-CZ 4.21Å; L122-F135 HydrophobicContact CD2-CZ 4.32Å; L133-F135 HydrophobicContact CB-CD2 4.33Å; L133-F135 HydrophobicContact CB-CE2 3.7Å; L133-F135 HydrophobicContact CB-CZ 4.23Å; L133-F135 HydrophobicContact CD1-CE2 4.19Å; L133-F135 HydrophobicContact CD1-CZ 4.19Å; F135-H137 VanDerWaalsContact C-N 3.26Å; F135-H137 PolarHBondContact O-N 3.25Å; F135-H137 PolarHBondContact O-ND1 2.94Å; F135-R153 PolarHBondContact O-NH1 2.85Å
136D96.3Very high96.4Very high56 Ų5659.2 Ų59.230%0.29931%0.308SS..SBendtrans5737.1-176.5-62.7-62.3000113.1E41 R43 R153 P154E41-D136 PolarHBondContact O-N 2.82Å; R43-D136 PolarHBondContact O-N 3.26Å; D136-R153 WeakPolarHBondContact O-CD 3.37Å; D136-R153 PolarHBondContact O-NH1 3.25Å; D136-P154 HydrophobicContact CB-CG 3.73Å; D136-P154 WeakPolarHBondContact O-CD 3.48Å
137H97.8Very high96.3Very high19 Ų1954.6 Ų54.69%0.08829%0.286CS..  trans-122.6103.4176.4-73.481.5000110.2F40 E41 T42 N134 F135 F151 R153 T159F40-H137 HydrophobicContact CB-CB 4.23Å; F40-H137 HydrophobicContact CD1-CB 3.86Å; F40-H137 AromaticContact CD1-CG 3.95Å; E41-H137 CarbonylContact C-O 3.57Å; E41-H137 PolarHBondContact O-N 2.81Å; T42-H137 WeakPolarHBondContact CA-O 3.5Å; T42-H137 PolarHBondContact N-O 2.99Å; N134-H137 PolarHBondContact O-ND1 2.77Å; F135-H137 VanDerWaalsContact C-N 3.26Å; F135-H137 PolarHBondContact O-N 3.25Å; F135-H137 PolarHBondContact O-ND1 2.94Å; H137-F151 HydrophobicContact CB-CB 4.1Å; H137-F151 HydrophobicContact CB-CD1 4.02Å; H137-F151 HydrophobicContact CB-CG 4.22Å; H137-R153 PolarHBondContact CE1-NH1 3.38Å; H137-R153 PolarHBondContact ND1-NH1 3.3Å; H137-R153 WeakPolarHBondContact NE2-CD 3.19Å; H137-T159 PolarHBondContact CD2-OG1 3.39Å
138K97.6Very high96.2Very high113 Ų11352.6 Ų52.649%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-92.6117.4176-174.2174.1177.6179.10110.5T42 Q140 F151 A152T42-K138 HydrophobicContact CG2-CB 3.89Å; T42-K138 HydrophobicContact CG2-CD 4.09Å; T42-K138 HydrophobicContact CG2-CG 3.92Å; T42-K138 WeakPolarHBondContact OG1-CA 3.33Å; K138-Q140 PolarHBondContact O-N 3.49Å; K138-F151 CarbonylContact O-C 3.54Å; K138-F151 VanDerWaalsContact O-CA 3.29Å; K138-F151 WeakPolarHBondContact O-CA 3.2Å; K138-A152 PolarHBondContact N-O 2.81Å; K138-A152 PolarHBondContact O-N 2.93Å
139L98.1Very high96.2Very high12 Ų1250.1 Ų50.16%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-60.3124.5173.7-175.964.3000110V17 D141 W142 M149 F151 A175 V176V17-L139 HydrophobicContact CG1-CB 4.04Å; V17-L139 HydrophobicContact CG1-CD2 3.87Å; V17-L139 HydrophobicContact CG2-CD2 4.22Å; L139-D141 WeakPolarHBondContact CD1-O 3.21Å; L139-W142 HydrophobicContact CD1-CB 4.41Å; L139-M149 HydrophobicContact CD1-CB 4.19Å; L139-M149 HydrophobicContact CD1-CE 3.67Å; L139-M149 HydrophobicContact CD2-CE 4.02Å; L139-F151 HydrophobicContact CB-CD1 4.07Å; L139-F151 HydrophobicContact CB-CE1 3.92Å; L139-F151 HydrophobicContact CD1-CD1 4.16Å; L139-F151 HydrophobicContact CD1-CE1 3.78Å; L139-F151 HydrophobicContact CD1-CZ 4.03Å; L139-F151 HydrophobicContact CG-CE1 4.44Å; L139-A175 HydrophobicContact CD2-CB 4.3Å; L139-V176 HydrophobicContact CD2-CG2 3.6Å
140Q95.9Very high96.2Very high105 Ų10544.9 Ų44.949%0.49123%0.227SC..EExtended strand (participates in β ladder)trans-103.8-44.3176-68.2-65.4-38.200111.2K138 T150 A152K138-Q140 PolarHBondContact O-N 3.49Å; Q140-T150 PolarHBondContact N-O 3.35Å; Q140-A152 HydrophobicContact CG-CB 3.61Å
141D94.9Very high96.2Very high83 Ų8344 Ų4444%0.44422%0.223SC..EExtended strand (participates in β ladder)trans-155158.5-177.2-161.716.1000111.6L139 T150 Q179L139-D141 WeakPolarHBondContact CD1-O 3.21Å; D141-T150 PolarHBondContact N-O 3.2Å; D141-T150 PolarHBondContact O-N 3.01Å; D141-Q179 PolarHBondContact OD1-NE2 3.04Å
142W95.9Very high96.2Very high15 Ų1544.2 Ų44.26%0.05723%0.226CC..EExtended strand (participates in β ladder)trans-158.6156.9175.868.4-79.3000112.2L139 A144 L148 M149 I166 V176 Q179 F180 I298 C302L139-W142 HydrophobicContact CD1-CB 4.41Å; W142-A144 HydrophobicContact CE3-CB 4.46Å; W142-A144 HydrophobicContact CH2-CB 4.11Å; W142-A144 HydrophobicContact CZ3-CB 3.59Å; W142-L148 CarbonylContact C-O 3.53Å; W142-L148 WeakPolarHBondContact CA-O 3.38Å; W142-M149 HydrophobicContact CB-CB 4.43Å; W142-M149 HydrophobicContact CB-CE 4.47Å; W142-M149 HydrophobicContact CB-CG 4.15Å; W142-I166 HydrophobicContact CD2-CD1 4.27Å; W142-I166 HydrophobicContact CE3-CD1 3.5Å; W142-I166 VanDerWaalsContact CE3-CD1 3.5Å; W142-I166 HydrophobicContact CZ3-CD1 4.05Å; W142-V176 HydrophobicContact CZ2-CG1 3.78Å; W142-V176 WeakPolarHBondContact CZ2-O 3.4Å; W142-V176 PolarHBondContact NE1-O 2.87Å; W142-Q179 HydrophobicContact CD2-CG 4.36Å; W142-Q179 HydrophobicContact CG-CG 4.39Å; W142-Q179 HydrophobicContact CZ2-CB 3.59Å; W142-Q179 HydrophobicContact CZ2-CG 4.16Å; W142-F180 HydrophobicContact CH2-CE2 4.05Å; W142-F180 HydrophobicContact CZ2-CD2 4.18Å; W142-F180 AromaticContact CZ2-CE2 3.9Å; W142-F180 HydrophobicContact CZ2-CE2 3.9Å; W142-I298 HydrophobicContact CH2-CD1 4.01Å; W142-C302 HydrophobicContact CH2-CB 3.53Å; W142-C302 WeakPolarHBondContact CH2-SG 3.25Å; W142-C302 HydrophobicContact CZ3-CB 3.63Å
143S93.8Very high96.1Very high31 Ų3142.4 Ų42.422%0.21722%0.216CC..  trans-117.7132175.9167.20000111.5E145 T146 G147 L148S143-E145 VanDerWaalsContact C-N 3.29Å; S143-E145 PolarHBondContact OG-N 2.76Å; S143-E145 VanDerWaalsContact OG-N 3.15Å; S143-E145 PolarHBondContact OG-OE2 2.87Å; S143-T146 WeakPolarHBondContact CB-OG1 3.39Å; S143-T146 PolarHBondContact OG-N 2.9Å; S143-T146 PolarHBondContact OG-OG1 3.39Å; S143-G147 WeakPolarHBondContact O-CA 3.47Å; S143-G147 PolarHBondContact O-N 2.81Å; S143-L148 PolarHBondContact N-O 3.25Å
144A90Very high95.7Very high12 Ų1245.9 Ų45.910%0.09924%0.24CC..THydrogen-bonded Turntrans-78.6-15.9174.600000112.5W142 I298 K301W142-A144 HydrophobicContact CE3-CB 4.46Å; W142-A144 HydrophobicContact CH2-CB 4.11Å; W142-A144 HydrophobicContact CZ3-CB 3.59Å; A144-I298 HydrophobicContact CB-CB 4.4Å; A144-I298 HydrophobicContact CB-CG2 3.6Å; A144-K301 WeakPolarHBondContact O-CB 3.37Å; A144-K301 WeakPolarHBondContact O-CG 3.25Å
145E89.7Confident95.3Very high118 Ų11851.3 Ų51.355%0.55127%0.265SS*.THydrogen-bonded Turntrans-82.3-44.5178.2-62.473.1-162.500111.2S143 R183S143-E145 VanDerWaalsContact C-N 3.29Å; S143-E145 PolarHBondContact OG-N 2.76Å; S143-E145 VanDerWaalsContact OG-N 3.15Å; S143-E145 PolarHBondContact OG-OE2 2.87Å; E145-R183 IonicContact OE1-CZ 3.4Å; E145-R183 IonicContact OE1-NH1 2.97Å; E145-R183 PolarHBondContact OE1-NH1 3.09Å; E145-R183 IonicContact OE1-NH2 2.63Å; E145-R183 PolarHBondContact OE1-NH2 3.27Å; E145-R183 IonicContact OE2-NH2 2.74Å; E145-R183 PolarHBondContact OE2-NH2 3.35Å
146T93.3Very high95Very high72 Ų7253 Ų5344%0.44229%0.29SS..THydrogen-bonded Turntrans-101.1-18.3-174.764.40000113.6S143 L148 Q162S143-T146 WeakPolarHBondContact CB-OG1 3.39Å; S143-T146 PolarHBondContact OG-N 2.9Å; S143-T146 PolarHBondContact OG-OG1 3.39Å; T146-L148 PolarHBondContact O-N 3.48Å; T146-L148 WeakPolarHBondContact OG1-CB 3.39Å; T146-L148 PolarHBondContact OG1-N 2.98Å; T146-Q162 PolarHBondContact O-NE2 3.02Å
147G95.1Very high95Very high0 Ų052.4 Ų52.40%029%0.29CS..  trans72.18.1-170.800000113.7S143 Q162 A163S143-G147 WeakPolarHBondContact O-CA 3.47Å; S143-G147 PolarHBondContact O-N 2.81Å; G147-Q162 WeakPolarHBondContact O-CA 3.47Å; G147-A163 PolarHBondContact O-N 3.44Å
148L97.6Very high94.9Very high63 Ų6358.9 Ų58.933%0.3332%0.318SS..EExtended strand (participates in β ladder)trans-76.5129.6179.5-171.868.2000110.5W142 S143 T146 Q160 Q162W142-L148 CarbonylContact C-O 3.53Å; W142-L148 WeakPolarHBondContact CA-O 3.38Å; S143-L148 PolarHBondContact N-O 3.25Å; T146-L148 PolarHBondContact O-N 3.48Å; T146-L148 WeakPolarHBondContact OG1-CB 3.39Å; T146-L148 PolarHBondContact OG1-N 2.98Å; L148-Q160 HydrophobicContact CD1-CB 4.11Å; L148-Q162 HydrophobicContact CD1-CB 4.46Å
149M97.9Very high94.8Very high0 Ų055.6 Ų55.60%031%0.307CS..EExtended strand (participates in β ladder)trans-120137.7179-51.3-173.474.100110A15 V17 L139 W142 F151 Q160 T161 I166A15-M149 HydrophobicContact CB-SD 3.56Å; A15-M149 VanDerWaalsContact CB-SD 3.56Å; V17-M149 HydrophobicContact CG2-CE 3.26Å; V17-M149 HydrophobicContact CG2-SD 4.48Å; L139-M149 HydrophobicContact CD1-CB 4.19Å; L139-M149 HydrophobicContact CD1-CE 3.67Å; L139-M149 HydrophobicContact CD2-CE 4.02Å; W142-M149 HydrophobicContact CB-CB 4.43Å; W142-M149 HydrophobicContact CB-CE 4.47Å; W142-M149 HydrophobicContact CB-CG 4.15Å; M149-F151 HydrophobicContact CB-CD2 4.36Å; M149-F151 HydrophobicContact CB-CE2 3.56Å; M149-F151 HydrophobicContact CB-CZ 3.93Å; M149-F151 HydrophobicContact CE-CE1 4.45Å; M149-F151 HydrophobicContact CE-CZ 3.77Å; M149-F151 HydrophobicContact SD-CE2 4.37Å; M149-F151 HydrophobicContact SD-CZ 4.02Å; M149-Q160 VanDerWaalsContact O-CA 3.24Å; M149-Q160 WeakPolarHBondContact O-CA 3.38Å; M149-T161 PolarHBondContact N-O 3.25Å; M149-T161 PolarHBondContact O-N 2.89Å; M149-I166 HydrophobicContact CE-CD1 4.33Å; M149-I166 HydrophobicContact CE-CG1 4.4Å; M149-I166 HydrophobicContact CE-CG2 3.73Å; M149-I166 HydrophobicContact CG-CD1 3.78Å; M149-I166 HydrophobicContact CG-CG1 4.26Å; M149-I166 HydrophobicContact SD-CD1 3.89Å; M149-I166 HydrophobicContact SD-CG1 3.75Å; M149-I166 HydrophobicContact SD-CG2 4.12Å
150T97.9Very high94.7Very high25 Ų2561.2 Ų61.215%0.15333%0.333CS..EExtended strand (participates in β ladder)trans-115.4121.9176.3-60.20000110.4Q140 D141 K158 Q160Q140-T150 PolarHBondContact N-O 3.35Å; D141-T150 PolarHBondContact N-O 3.2Å; D141-T150 PolarHBondContact O-N 3.01Å; T150-K158 HydrophobicContact CG2-CB 4.3Å; T150-K158 HydrophobicContact CG2-CD 4.17Å; T150-Q160 HydrophobicContact CG2-CG 4.46Å; T150-Q160 PolarHBondContact OG1-NE2 3.15Å
151F98Very high94.8Very high0 Ų057.1 Ų57.10%032%0.316CS..EExtended strand (participates in β ladder)trans-111.2141.9178.7-59.2-89.4000110.9F40 H137 K138 L139 M149 K158 T159F40-F151 HydrophobicContact CB-CD1 4.03Å; F40-F151 HydrophobicContact CB-CE1 3.39Å; F40-F151 HydrophobicContact CB-CZ 3.77Å; F40-F151 HydrophobicContact CD1-CD1 4.07Å; F40-F151 HydrophobicContact CD1-CD2 4.01Å; F40-F151 AromaticContact CD1-CE1 3.84Å; F40-F151 HydrophobicContact CD1-CE1 3.84Å; F40-F151 AromaticContact CD1-CE2 3.76Å; F40-F151 HydrophobicContact CD1-CE2 3.76Å; F40-F151 HydrophobicContact CD1-CG 4.15Å; F40-F151 AromaticContact CD1-CZ 3.67Å; F40-F151 HydrophobicContact CD1-CZ 3.67Å; F40-F151 HydrophobicContact CD2-CE1 4.01Å; F40-F151 AromaticContact CD2-CE2 3.99Å; F40-F151 HydrophobicContact CD2-CE2 3.99Å; F40-F151 AromaticContact CD2-CZ 3.43Å; F40-F151 HydrophobicContact CD2-CZ 3.43Å; F40-F151 VanDerWaalsContact CD2-CZ 3.43Å; F40-F151 HydrophobicContact CE1-CD2 4.06Å; F40-F151 AromaticContact CE1-CE2 3.78Å; F40-F151 HydrophobicContact CE1-CE2 3.78Å; F40-F151 HydrophobicContact CE1-CZ 4.11Å; F40-F151 AromaticContact CE2-CE2 4Å; F40-F151 HydrophobicContact CE2-CE2 4Å; F40-F151 AromaticContact CE2-CZ 3.88Å; F40-F151 HydrophobicContact CE2-CZ 3.88Å; F40-F151 HydrophobicContact CG-CD1 4.12Å; F40-F151 HydrophobicContact CG-CD2 4.49Å; F40-F151 AromaticContact CG-CE1 3.47Å; F40-F151 HydrophobicContact CG-CE1 3.47Å; F40-F151 VanDerWaalsContact CG-CE1 3.47Å; F40-F151 AromaticContact CG-CE2 3.87Å; F40-F151 HydrophobicContact CG-CE2 3.87Å; F40-F151 AromaticContact CG-CZ 3.31Å; F40-F151 HydrophobicContact CG-CZ 3.31Å; F40-F151 AromaticContact CZ-CE2 3.9Å; F40-F151 HydrophobicContact CZ-CE2 3.9Å; F40-F151 HydrophobicContact CZ-CZ 4.21Å; H137-F151 HydrophobicContact CB-CB 4.1Å; H137-F151 HydrophobicContact CB-CD1 4.02Å; H137-F151 HydrophobicContact CB-CG 4.22Å; K138-F151 CarbonylContact O-C 3.54Å; K138-F151 VanDerWaalsContact O-CA 3.29Å; K138-F151 WeakPolarHBondContact O-CA 3.2Å; L139-F151 HydrophobicContact CB-CD1 4.07Å; L139-F151 HydrophobicContact CB-CE1 3.92Å; L139-F151 HydrophobicContact CD1-CD1 4.16Å; L139-F151 HydrophobicContact CD1-CE1 3.78Å; L139-F151 HydrophobicContact CD1-CZ 4.03Å; L139-F151 HydrophobicContact CG-CE1 4.44Å; M149-F151 HydrophobicContact CB-CD2 4.36Å; M149-F151 HydrophobicContact CB-CE2 3.56Å; M149-F151 HydrophobicContact CB-CZ 3.93Å; M149-F151 HydrophobicContact CE-CE1 4.45Å; M149-F151 HydrophobicContact CE-CZ 3.77Å; M149-F151 HydrophobicContact SD-CE2 4.37Å; M149-F151 HydrophobicContact SD-CZ 4.02Å; F151-K158 CarbonylContact O-C 3.41Å; F151-K158 WeakPolarHBondContact O-CA 3.33Å; F151-T159 PolarHBondContact N-O 2.83Å; F151-T159 PolarHBondContact O-N 2.81Å
152A97.5Very high94.9Very high21 Ų2159.5 Ų59.517%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-99.1137.8169.500000110.6K138 Q140K138-A152 PolarHBondContact N-O 2.81Å; K138-A152 PolarHBondContact O-N 2.93Å; Q140-A152 HydrophobicContact CG-CB 3.61Å
153R96.1Very high94.9Very high72 Ų7259 Ų5927%0.27232%0.323SS..  trans-95.7157.4174.5-57.4-78.4-73.2161.2-10.3110.1F135 D136 H137 H155 G156 S157 T159F135-R153 PolarHBondContact O-NH1 2.85Å; D136-R153 WeakPolarHBondContact O-CD 3.37Å; D136-R153 PolarHBondContact O-NH1 3.25Å; H137-R153 PolarHBondContact CE1-NH1 3.38Å; H137-R153 PolarHBondContact ND1-NH1 3.3Å; H137-R153 WeakPolarHBondContact NE2-CD 3.19Å; R153-H155 WeakPolarHBondContact CB-NE2 3.49Å; R153-H155 PolarHBondContact O-N 2.82Å; R153-H155 VanDerWaalsContact O-N 3.16Å; R153-G156 PolarHBondContact O-N 2.92Å; R153-S157 WeakPolarHBondContact CG-OG 3.35Å; R153-S157 PolarHBondContact N-O 3Å; R153-T159 HydrophobicContact CG-CG2 4.34Å
154P91.1Very high95.1Very high100 Ų10060.2 Ų60.265%0.64933%0.327SS*.THydrogen-bonded Turntrans-56.5-31.2177.5-28.134.6000114.4D136 G156D136-P154 HydrophobicContact CB-CG 3.73Å; D136-P154 WeakPolarHBondContact O-CD 3.48Å; P154-G156 PolarHBondContact O-N 2.87Å
155H90.4Very high95.5Very high134 Ų13459.6 Ų59.662%0.6232%0.322SS*.THydrogen-bonded Turntrans-83.313.2177.963.285.5000113.7R153 S157R153-H155 WeakPolarHBondContact CB-NE2 3.49Å; R153-H155 PolarHBondContact O-N 2.82Å; R153-H155 VanDerWaalsContact O-N 3.16Å; H155-S157 VanDerWaalsContact C-N 3.3Å; H155-S157 WeakPolarHBondContact CE1-CB 3.29Å; H155-S157 PolarHBondContact CE1-OG 2.97Å; H155-S157 PolarHBondContact ND1-OG 3.31Å; H155-S157 PolarHBondContact NE2-OG 2.86Å; H155-S157 PolarHBondContact O-N 3.3Å
156G91Very high96Very high63 Ų6354 Ų5465%0.64930%0.296SS*.SBendtrans82.6-8.6174.100000115.7R153 P154R153-G156 PolarHBondContact O-N 2.92Å; P154-G156 PolarHBondContact O-N 2.87Å
157S94.6Very high96.2Very high43 Ų4350.6 Ų50.630%0.30128%0.275SS..  trans-70.4159.517486.10000111.4R153 H155R153-S157 WeakPolarHBondContact CG-OG 3.35Å; R153-S157 PolarHBondContact N-O 3Å; H155-S157 VanDerWaalsContact C-N 3.3Å; H155-S157 WeakPolarHBondContact CE1-CB 3.29Å; H155-S157 PolarHBondContact CE1-OG 2.97Å; H155-S157 PolarHBondContact ND1-OG 3.31Å; H155-S157 PolarHBondContact NE2-OG 2.86Å; H155-S157 PolarHBondContact O-N 3.3Å
158K96Very high96.4Very high154 Ų15450.6 Ų50.667%0.6728%0.275SS*.EExtended strand (participates in β ladder)trans-114.1144172.8-63.6-179.2-177.9179.30109.8T150 F151T150-K158 HydrophobicContact CG2-CB 4.3Å; T150-K158 HydrophobicContact CG2-CD 4.17Å; F151-K158 CarbonylContact O-C 3.41Å; F151-K158 WeakPolarHBondContact O-CA 3.33Å
159T96.3Very high96.5Very high45 Ų4548.1 Ų48.128%0.27626%0.263SS..EExtended strand (participates in β ladder)trans-123.8149.1171.656.20000108.6H137 F151 R153H137-T159 PolarHBondContact CD2-OG1 3.39Å; F151-T159 PolarHBondContact N-O 2.83Å; F151-T159 PolarHBondContact O-N 2.81Å; R153-T159 HydrophobicContact CG-CG2 4.34Å
160Q96.5Very high96.4Very high130 Ų13050 Ų5061%0.60727%0.273SS*.EExtended strand (participates in β ladder)trans-120.5142.3176.8-70-175.1-34.600110.4L148 M149 T150L148-Q160 HydrophobicContact CD1-CB 4.11Å; M149-Q160 VanDerWaalsContact O-CA 3.24Å; M149-Q160 WeakPolarHBondContact O-CA 3.38Å; T150-Q160 HydrophobicContact CG2-CG 4.46Å; T150-Q160 PolarHBondContact OG1-NE2 3.15Å
161T96.4Very high96.3Very high19 Ų1949.8 Ų49.812%0.11728%0.276CS..EExtended strand (participates in β ladder)trans-137.2135.7176-59.40000107.9F40 M149F40-T161 HydrophobicContact CE2-CG2 4.32Å; F40-T161 HydrophobicContact CZ-CG2 3.92Å; F40-T161 WeakPolarHBondContact CZ-OG1 3.37Å; M149-T161 PolarHBondContact N-O 3.25Å; M149-T161 PolarHBondContact O-N 2.89Å
162Q97.3Very high96.2Very high133 Ų13350.5 Ų50.562%0.62128%0.282SS*.EExtended strand (participates in β ladder)trans-101.2136.5171.2-171.9171.38.700108.8T146 G147 L148T146-Q162 PolarHBondContact O-NE2 3.02Å; G147-Q162 WeakPolarHBondContact O-CA 3.47Å; L148-Q162 HydrophobicContact CD1-CB 4.46Å
163A97.6Very high96.1Very high3 Ų354 Ų543%0.02529%0.293CS..  trans-130.7149179.700000111.5V13 A15 G147 I166V13-A163 HydrophobicContact CG1-CB 4.39Å; A15-A163 HydrophobicContact CB-CB 3.55Å; G147-A163 PolarHBondContact O-N 3.44Å; A163-I166 HydrophobicContact CB-CG1 4.24Å
164D97.8Very high96.2Very high57 Ų5750.6 Ų50.631%0.30528%0.28SS..SBendtrans-77.2-32.1171.5-64.6-64.1000111.6K12 V13 K301 F341K12-D164 VanDerWaalsContact CA-OD2 3.25Å; K12-D164 WeakPolarHBondContact CA-OD2 3.5Å; K12-D164 HydrophobicContact CB-CB 4.08Å; K12-D164 HydrophobicContact CG-CB 4.41Å; V13-D164 PolarHBondContact N-OD2 3.49Å; V13-D164 WeakPolarHBondContact O-CB 3.43Å; V13-D164 PolarHBondContact O-N 3.22Å; D164-K301 WeakPolarHBondContact O-CD 3.41Å; D164-F341 HydrophobicContact CB-CE2 4.42Å
165L98.5Very high96.4Very high0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-136.9132.8173.8178.666.5000110.8V13 V14 A15 F30 V167 K301 V303 F330 F341 L345V13-L165 PolarHBondContact O-N 3.37Å; V14-L165 CarbonylContact C-O 3.49Å; V14-L165 WeakPolarHBondContact CA-O 3.46Å; V14-L165 HydrophobicContact CG1-CB 4.45Å; V14-L165 HydrophobicContact CG1-CD2 4.21Å; V14-L165 HydrophobicContact CG1-CG 4.45Å; V14-L165 HydrophobicContact CG2-CB 4.28Å; V14-L165 HydrophobicContact CG2-CD2 4.41Å; A15-L165 PolarHBondContact N-O 3.38Å; F30-L165 HydrophobicContact CE1-CD2 3.83Å; F30-L165 HydrophobicContact CZ-CD2 3.93Å; L165-V167 HydrophobicContact CD2-CG2 3.94Å; L165-V167 HydrophobicContact CG-CG2 3.98Å; L165-K301 CarbonylContact C-O 3.58Å; L165-V303 HydrophobicContact CD1-CG1 4.28Å; L165-F330 HydrophobicContact CD2-CZ 4.36Å; L165-F341 HydrophobicContact CB-CD2 4.21Å; L165-F341 HydrophobicContact CB-CE2 3.71Å; L165-F341 HydrophobicContact CB-CZ 3.89Å; L165-F341 HydrophobicContact CD2-CD1 4.28Å; L165-F341 HydrophobicContact CD2-CE1 3.75Å; L165-F341 HydrophobicContact CD2-CE2 4.44Å; L165-F341 HydrophobicContact CD2-CZ 3.86Å; L165-F341 HydrophobicContact CG-CZ 4.44Å; L165-L345 HydrophobicContact CD1-CD1 3.8Å; L165-L345 HydrophobicContact CD1-CD2 4.05Å; L165-L345 HydrophobicContact CD1-CG 4.48Å
166I98.8Very high96.8Very high0 Ų040.9 Ų40.90%023%0.232CC..EExtended strand (participates in β ladder)trans-106124.5173.1-59.5172.2000108.8A15 V17 W142 M149 A163 V176 K301 C302 V303A15-I166 WeakPolarHBondContact O-CA 3.42Å; V17-I166 HydrophobicContact CG2-CG2 4.18Å; W142-I166 HydrophobicContact CD2-CD1 4.27Å; W142-I166 HydrophobicContact CE3-CD1 3.5Å; W142-I166 VanDerWaalsContact CE3-CD1 3.5Å; W142-I166 HydrophobicContact CZ3-CD1 4.05Å; M149-I166 HydrophobicContact CE-CD1 4.33Å; M149-I166 HydrophobicContact CE-CG1 4.4Å; M149-I166 HydrophobicContact CE-CG2 3.73Å; M149-I166 HydrophobicContact CG-CD1 3.78Å; M149-I166 HydrophobicContact CG-CG1 4.26Å; M149-I166 HydrophobicContact SD-CD1 3.89Å; M149-I166 HydrophobicContact SD-CG1 3.75Å; M149-I166 HydrophobicContact SD-CG2 4.12Å; A163-I166 HydrophobicContact CB-CG1 4.24Å; I166-V176 HydrophobicContact CG2-CG1 4.47Å; I166-K301 PolarHBondContact N-O 2.82Å; I166-C302 HydrophobicContact CB-CB 4.27Å; I166-C302 CarbonylContact O-C 3.54Å; I166-C302 VanDerWaalsContact O-CA 3.27Å; I166-C302 WeakPolarHBondContact O-CA 3.45Å; I166-V303 PolarHBondContact O-N 3.47Å
167V98.8Very high97.1Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-113.9105.5179.7-171.80000109V14 A15 V16 V17 F30 L165 C169 V303 M305V14-V167 HydrophobicContact CG1-CG2 3.72Å; A15-V167 PolarHBondContact O-N 3.41Å; V16-V167 HydrophobicContact CG2-CB 4.3Å; V17-V167 PolarHBondContact N-O 2.9Å; F30-V167 HydrophobicContact CE2-CG1 4.36Å; F30-V167 HydrophobicContact CE2-CG2 3.73Å; F30-V167 HydrophobicContact CZ-CG2 3.82Å; L165-V167 HydrophobicContact CD2-CG2 3.94Å; L165-V167 HydrophobicContact CG-CG2 3.98Å; V167-C169 PolarHBondContact O-N 2.76Å; V167-V303 CarbonylContact C-O 3.58Å; V167-V303 WeakPolarHBondContact CA-O 3.49Å; V167-V303 HydrophobicContact CB-CG1 4.43Å; V167-V303 HydrophobicContact CG1-CG1 4.21Å; V167-V303 HydrophobicContact CG2-CG1 4.1Å; V167-M305 HydrophobicContact CG1-CE 4.47Å; V167-M305 HydrophobicContact CG1-CG 4.45Å; V167-M305 HydrophobicContact CG1-SD 4.1Å
168G98.6Very high97Very high0 Ų042.5 Ų42.50%022%0.215CC..EExtended strand (participates in β ladder)trans-77.1102.6177.100000111.7V303 M305 A308G168-V303 PolarHBondContact N-O 3.31Å; G168-M305 PolarHBondContact O-N 2.84Å; G168-A308 VanDerWaalsContact O-CB 3.29Å; G168-A308 WeakPolarHBondContact O-CB 3.25Å
169C98.6Very high96.7Very high12 Ų1237.1 Ų37.18%0.08119%0.193CC..  trans-120.925.5175.1-68.70000111.4V16 V17 V167 G171V16-C169 HydrophobicContact CG1-CB 4.26Å; V17-C169 CarbonylContact O-C 3.52Å; V17-C169 WeakPolarHBondContact O-CA 3.34Å; V17-C169 WeakPolarHBondContact O-CB 3.49Å; V17-C169 PolarHBondContact O-N 2.65Å; V167-C169 PolarHBondContact O-N 2.76Å; C169-G171 PolarHBondContact O-N 3.41Å
170D97.6Very high96.6Very high38 Ų3835 Ų3520%0.20318%0.18CC..SBendtrans-90.420.6-169.157.1-21.1000113.6V17 S174 A175 V176V17-D170 HydrophobicContact CG1-CB 4Å; V17-D170 PolarHBondContact O-N 3.4Å; D170-S174 VanDerWaalsContact CG-OG 3.25Å; D170-S174 WeakPolarHBondContact OD1-CA 3.13Å; D170-S174 WeakPolarHBondContact OD1-CB 3.37Å; D170-S174 PolarHBondContact OD1-OG 2.86Å; D170-S174 WeakPolarHBondContact OD2-CA 3.27Å; D170-S174 PolarHBondContact OD2-OG 2.72Å; D170-A175 WeakPolarHBondContact OD2-CA 3.26Å; D170-A175 PolarHBondContact OD2-N 2.84Å; D170-V176 PolarHBondContact OD2-N 2.93Å
171G95.8Very high96.4Very high22 Ų2233 Ų3323%0.22717%0.172CC..  trans81.8-173.2166.200000115.3C169 F173 S174 A308C169-G171 PolarHBondContact O-N 3.41Å; G171-F173 PolarHBondContact O-N 3.03Å; G171-S174 WeakPolarHBondContact O-CB 3.17Å; G171-S174 PolarHBondContact O-N 3.3Å; G171-A308 WeakPolarHBondContact O-CA 3.3Å
172A95.2Very high96Very high15 Ų1541.9 Ų41.912%0.12420%0.204CC..THydrogen-bonded Turntrans-57-24.5-173.800000114.4R177 V289 D307 A311A172-R177 PolarHBondContact O-NH1 3.28Å; A172-R177 PolarHBondContact O-NH2 2.88Å; A172-V289 HydrophobicContact CB-CG1 4Å; A172-D307 WeakPolarHBondContact CA-O 3.38Å; A172-D307 HydrophobicContact CB-CB 4.31Å; A172-A311 HydrophobicContact CB-CB 3.62Å
173F95.1Very high95.6Very high94 Ų9440.1 Ų40.141%0.41219%0.192SC..THydrogen-bonded Turntrans-108.135.3178-57-70.1000112.8G171 A175 Y192 V289G171-F173 PolarHBondContact O-N 3.03Å; F173-A175 PolarHBondContact O-N 3Å; F173-Y192 VanDerWaalsContact CE1-OH 3.32Å; F173-Y192 WeakPolarHBondContact CE1-OH 3.49Å; F173-V289 HydrophobicContact CZ-CG1 4.19Å
174S97.6Very high95.2Very high0 Ų045.4 Ų45.40%023%0.228CC..  trans-41.8122.7-176.81760000113.8D170 G171 V176 R177 K178D170-S174 VanDerWaalsContact CG-OG 3.25Å; D170-S174 WeakPolarHBondContact OD1-CA 3.13Å; D170-S174 WeakPolarHBondContact OD1-CB 3.37Å; D170-S174 PolarHBondContact OD1-OG 2.86Å; D170-S174 WeakPolarHBondContact OD2-CA 3.27Å; D170-S174 PolarHBondContact OD2-OG 2.72Å; G171-S174 WeakPolarHBondContact O-CB 3.17Å; G171-S174 PolarHBondContact O-N 3.3Å; S174-V176 PolarHBondContact OG-N 2.98Å; S174-R177 WeakPolarHBondContact OG-CB 3.45Å; S174-R177 PolarHBondContact OG-N 3.31Å; S174-K178 WeakPolarHBondContact O-CG 3.45Å
175A96.5Very high95Very high31 Ų3153.4 Ų53.426%0.25625%0.254SS..Hα-helixtrans-71.3-33.8167.200000111L139 D170 F173 K178L139-A175 HydrophobicContact CD2-CB 4.3Å; D170-A175 WeakPolarHBondContact OD2-CA 3.26Å; D170-A175 PolarHBondContact OD2-N 2.84Å; F173-A175 PolarHBondContact O-N 3Å; A175-K178 WeakPolarHBondContact O-CB 3.43Å; A175-K178 PolarHBondContact O-N 3.01Å
176V97.8Very high95Very high0 Ų054.8 Ų54.80%026%0.26CS..Hα-helixtrans-60.8-50.5175-179.60000110.5V17 L139 W142 I166 D170 S174 K178 Q179 F180 C302 L304V17-V176 HydrophobicContact CB-CG2 3.83Å; V17-V176 HydrophobicContact CG1-CG2 4.03Å; V17-V176 HydrophobicContact CG2-CG2 3.79Å; L139-V176 HydrophobicContact CD2-CG2 3.6Å; W142-V176 HydrophobicContact CZ2-CG1 3.78Å; W142-V176 WeakPolarHBondContact CZ2-O 3.4Å; W142-V176 PolarHBondContact NE1-O 2.87Å; I166-V176 HydrophobicContact CG2-CG1 4.47Å; D170-V176 PolarHBondContact OD2-N 2.93Å; S174-V176 PolarHBondContact OG-N 2.98Å; V176-K178 PolarHBondContact O-N 3.4Å; V176-K178 VanDerWaalsContact O-N 3.15Å; V176-Q179 PolarHBondContact O-N 3.18Å; V176-F180 HydrophobicContact CG1-CE2 4.11Å; V176-C302 VanDerWaalsContact CG1-SG 3.53Å; V176-L304 HydrophobicContact CB-CD2 4.06Å; V176-L304 HydrophobicContact CG1-CD2 3.68Å
177R97.3Very high94.9Very high8 Ų860.4 Ų60.43%0.0329%0.291CS..Hα-helixtrans-59.1-28.3179.1-172.1178.664.8-124.68.1113.2A172 S174 Q179 F180 L181 F186 Y188 L304 A308A172-R177 PolarHBondContact O-NH1 3.28Å; A172-R177 PolarHBondContact O-NH2 2.88Å; S174-R177 WeakPolarHBondContact OG-CB 3.45Å; S174-R177 PolarHBondContact OG-N 3.31Å; R177-Q179 PolarHBondContact O-N 3.5Å; R177-F180 WeakPolarHBondContact O-CA 3.45Å; R177-F180 VanDerWaalsContact O-CB 3.27Å; R177-F180 WeakPolarHBondContact O-CB 3.26Å; R177-F180 PolarHBondContact O-N 2.86Å; R177-L181 PolarHBondContact O-N 3.25Å; R177-F186 HydrophobicContact CG-CE1 4.48Å; R177-F186 HydrophobicContact CG-CZ 4.07Å; R177-Y188 VanDerWaalsContact NE-CE2 3.28Å; R177-Y188 PolarHBondContact NH2-OH 3.03Å; R177-L304 HydrophobicContact CB-CD1 3.94Å; R177-L304 HydrophobicContact CB-CD2 4.24Å; R177-L304 HydrophobicContact CG-CD1 3.83Å; R177-A308 WeakPolarHBondContact CD-O 3.21Å; R177-A308 PolarHBondContact NH1-O 3.33Å
178K93.3Very high94.8Very high131 Ų13164 Ų6457%0.5730%0.304SS*.Hα-helixtrans-58.2-31.7178.7-73.1176.2-175.7177.30112.9S174 A175 V176 F180 L181S174-K178 WeakPolarHBondContact O-CG 3.45Å; A175-K178 WeakPolarHBondContact O-CB 3.43Å; A175-K178 PolarHBondContact O-N 3.01Å; V176-K178 PolarHBondContact O-N 3.4Å; V176-K178 VanDerWaalsContact O-N 3.15Å; K178-F180 VanDerWaalsContact C-N 3.33Å; K178-L181 WeakPolarHBondContact O-CB 3.42Å; K178-L181 PolarHBondContact O-N 3.08Å
179Q89.7Confident94.8Very high41 Ų4166.6 Ų66.619%0.19232%0.323CS..Hα-helixtrans-75.3-22.2175.9-66.6-63.56.500113D141 W142 V176 R177 L181 R182D141-Q179 PolarHBondContact OD1-NE2 3.04Å; W142-Q179 HydrophobicContact CD2-CG 4.36Å; W142-Q179 HydrophobicContact CG-CG 4.39Å; W142-Q179 HydrophobicContact CZ2-CB 3.59Å; W142-Q179 HydrophobicContact CZ2-CG 4.16Å; V176-Q179 PolarHBondContact O-N 3.18Å; R177-Q179 PolarHBondContact O-N 3.5Å; Q179-L181 VanDerWaalsContact C-N 3.3Å; Q179-L181 PolarHBondContact O-N 2.61Å; Q179-R182 PolarHBondContact O-N 2.89Å
180F94.4Very high94.7Very high1 Ų169.9 Ų69.90%0.00434%0.337CS..Hα-helixtrans-67.2-33.3173.4-70.9-122.3000111.5W142 V176 R177 K178 R182 R183 F186 I298 C302 L304W142-F180 HydrophobicContact CH2-CE2 4.05Å; W142-F180 HydrophobicContact CZ2-CD2 4.18Å; W142-F180 AromaticContact CZ2-CE2 3.9Å; W142-F180 HydrophobicContact CZ2-CE2 3.9Å; V176-F180 HydrophobicContact CG1-CE2 4.11Å; R177-F180 WeakPolarHBondContact O-CA 3.45Å; R177-F180 VanDerWaalsContact O-CB 3.27Å; R177-F180 WeakPolarHBondContact O-CB 3.26Å; R177-F180 PolarHBondContact O-N 2.86Å; K178-F180 VanDerWaalsContact C-N 3.33Å; F180-R182 PolarHBondContact O-N 3.29Å; F180-R183 WeakPolarHBondContact O-CB 3.39Å; F180-R183 PolarHBondContact O-N 3.29Å; F180-F186 HydrophobicContact CB-CD1 3.83Å; F180-F186 HydrophobicContact CB-CD2 3.84Å; F180-F186 HydrophobicContact CB-CE1 3.54Å; F180-F186 HydrophobicContact CB-CE2 3.58Å; F180-F186 HydrophobicContact CB-CG 3.95Å; F180-F186 HydrophobicContact CB-CZ 3.39Å; F180-F186 AromaticContact CD1-CD2 3.86Å; F180-F186 HydrophobicContact CD1-CD2 3.86Å; F180-F186 AromaticContact CD1-CE2 3.45Å; F180-F186 HydrophobicContact CD1-CE2 3.45Å; F180-F186 VanDerWaalsContact CD1-CE2 3.45Å; F180-F186 HydrophobicContact CD1-CZ 4.01Å; F180-F186 HydrophobicContact CE1-CE2 4.48Å; F180-F186 HydrophobicContact CG-CD2 4.37Å; F180-F186 AromaticContact CG-CE2 3.93Å; F180-F186 HydrophobicContact CG-CE2 3.93Å; F180-F186 HydrophobicContact CG-CZ 4.05Å; F180-F186 WeakPolarHBondContact O-CB 3.48Å; F180-F186 WeakPolarHBondContact O-CD1 3.4Å; F180-F186 WeakPolarHBondContact O-CG 3.34Å; F180-I298 HydrophobicContact CB-CD1 4.29Å; F180-I298 HydrophobicContact CD1-CD1 3.79Å; F180-I298 HydrophobicContact CD1-CG1 3.75Å; F180-I298 HydrophobicContact CD2-CD1 3.48Å; F180-I298 VanDerWaalsContact CD2-CD1 3.48Å; F180-I298 HydrophobicContact CD2-CG1 4.26Å; F180-I298 HydrophobicContact CE1-CD1 3.93Å; F180-I298 HydrophobicContact CE1-CG1 3.6Å; F180-I298 HydrophobicContact CE2-CD1 3.59Å; F180-I298 HydrophobicContact CE2-CG1 4.09Å; F180-I298 HydrophobicContact CG-CD1 3.57Å; F180-I298 HydrophobicContact CG-CG1 4.09Å; F180-I298 HydrophobicContact CZ-CB 4.49Å; F180-I298 HydrophobicContact CZ-CD1 3.81Å; F180-I298 HydrophobicContact CZ-CG1 3.76Å; F180-C302 HydrophobicContact CZ-CB 4.5Å; F180-L304 HydrophobicContact CD1-CD1 4.08Å; F180-L304 HydrophobicContact CD2-CD1 4.28Å; F180-L304 HydrophobicContact CE1-CD1 3.89Å; F180-L304 HydrophobicContact CE1-CG 4Å; F180-L304 HydrophobicContact CE2-CD1 4.14Å; F180-L304 HydrophobicContact CE2-CD2 3.89Å; F180-L304 HydrophobicContact CE2-CG 3.93Å; F180-L304 HydrophobicContact CG-CD1 4.28Å; F180-L304 HydrophobicContact CZ-CD1 3.95Å; F180-L304 HydrophobicContact CZ-CD2 4.07Å; F180-L304 HydrophobicContact CZ-CG 3.63Å
181L92.3Very high94.6Very high87 Ų8771.5 Ų71.546%0.45535%0.348SS..THydrogen-bonded Turntrans-60.2-20.5-179.6-63.5173.1000113.8R177 K178 Q179 F186 Y188R177-L181 PolarHBondContact O-N 3.25Å; K178-L181 WeakPolarHBondContact O-CB 3.42Å; K178-L181 PolarHBondContact O-N 3.08Å; Q179-L181 VanDerWaalsContact C-N 3.3Å; Q179-L181 PolarHBondContact O-N 2.61Å; L181-F186 HydrophobicContact CD2-CD1 4.17Å; L181-F186 HydrophobicContact CD2-CE1 3.83Å; L181-F186 HydrophobicContact CG-CE1 4.42Å; L181-Y188 HydrophobicContact CD2-CD1 3.68Å; L181-Y188 HydrophobicContact CD2-CD2 4.05Å; L181-Y188 HydrophobicContact CD2-CE1 4.3Å; L181-Y188 HydrophobicContact CD2-CG 3.52Å
182R87.8Confident94.6Very high207 Ų20776.2 Ų76.278%0.78136%0.36SS*.THydrogen-bonded Turntrans-94-3.7179.3-62.9179.2176.5177.3-2.5113.1Q179 F180Q179-R182 PolarHBondContact O-N 2.89Å; F180-R182 PolarHBondContact O-N 3.29Å
183R88.4Confident94.6Very high96 Ų9675.9 Ų75.936%0.36236%0.356SS..SBendtrans-90.4149.6-176.9-63-66.3-179.6170.4-2.1111.2E145 F180 I298E145-R183 IonicContact OE1-CZ 3.4Å; E145-R183 IonicContact OE1-NH1 2.97Å; E145-R183 PolarHBondContact OE1-NH1 3.09Å; E145-R183 IonicContact OE1-NH2 2.63Å; E145-R183 PolarHBondContact OE1-NH2 3.27Å; E145-R183 IonicContact OE2-NH2 2.74Å; E145-R183 PolarHBondContact OE2-NH2 3.35Å; F180-R183 WeakPolarHBondContact O-CB 3.39Å; F180-R183 PolarHBondContact O-N 3.29Å; R183-I298 HydrophobicContact CG-CD1 3.92Å; R183-I298 HydrophobicContact CG-CG1 4.47Å
184S89.6Confident94.6Very high113 Ų11375.7 Ų75.779%0.7936%0.364SS*.THydrogen-bonded Turntrans-63.1141.7173.7-173.40000110.6F186S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 2.69Å
185R93.9Very high94.6Very high225 Ų22576.1 Ų76.185%0.84937%0.366SS*.THydrogen-bonded Turntrans6030.5175.4-56.1178.163.6-173.7-1.3115.4
186F97.4Very high94.5Very high29 Ų2974.7 Ų74.713%0.12735%0.354CS..  trans-97.1115.9169.5-176.5-108.9000110.9R177 F180 L181 S184 Y188 C293 S294 P295R177-F186 HydrophobicContact CG-CE1 4.48Å; R177-F186 HydrophobicContact CG-CZ 4.07Å; F180-F186 HydrophobicContact CB-CD1 3.83Å; F180-F186 HydrophobicContact CB-CD2 3.84Å; F180-F186 HydrophobicContact CB-CE1 3.54Å; F180-F186 HydrophobicContact CB-CE2 3.58Å; F180-F186 HydrophobicContact CB-CG 3.95Å; F180-F186 HydrophobicContact CB-CZ 3.39Å; F180-F186 AromaticContact CD1-CD2 3.86Å; F180-F186 HydrophobicContact CD1-CD2 3.86Å; F180-F186 AromaticContact CD1-CE2 3.45Å; F180-F186 HydrophobicContact CD1-CE2 3.45Å; F180-F186 VanDerWaalsContact CD1-CE2 3.45Å; F180-F186 HydrophobicContact CD1-CZ 4.01Å; F180-F186 HydrophobicContact CE1-CE2 4.48Å; F180-F186 HydrophobicContact CG-CD2 4.37Å; F180-F186 AromaticContact CG-CE2 3.93Å; F180-F186 HydrophobicContact CG-CE2 3.93Å; F180-F186 HydrophobicContact CG-CZ 4.05Å; F180-F186 WeakPolarHBondContact O-CB 3.48Å; F180-F186 WeakPolarHBondContact O-CD1 3.4Å; F180-F186 WeakPolarHBondContact O-CG 3.34Å; L181-F186 HydrophobicContact CD2-CD1 4.17Å; L181-F186 HydrophobicContact CD2-CE1 3.83Å; L181-F186 HydrophobicContact CG-CE1 4.42Å; S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 2.69Å; F186-Y188 HydrophobicContact CE1-CD2 4.33Å; F186-Y188 HydrophobicContact CE1-CG 4.47Å; F186-C293 HydrophobicContact CE1-CB 4.16Å; F186-C293 HydrophobicContact CE2-CB 3.73Å; F186-C293 HydrophobicContact CZ-CB 3.35Å; F186-S294 WeakPolarHBondContact CD2-O 3.34Å; F186-P295 VanDerWaalsContact CE2-O 3.28Å; F186-P295 WeakPolarHBondContact CE2-O 3.42Å
187N97.3Very high94.4Very high119 Ų11975.4 Ų75.464%0.63636%0.357SS*.EExtended strand (participates in β ladder)trans-87.4133.6173.7-69.2-38.4000109.8C293 S294N187-C293 CarbonylContact O-C 3.58Å; N187-C293 WeakPolarHBondContact O-CA 3.49Å; N187-C293 WeakPolarHBondContact O-CB 3.45Å; N187-S294 PolarHBondContact N-O 3.46Å; N187-S294 PolarHBondContact O-N 3.21Å
188Y97.6Very high94.2Very high74 Ų7475.6 Ų75.629%0.2936%0.358SS..EExtended strand (participates in β ladder)trans-141.7137178.8178.4-104.4000110.9R177 L181 F186 Q190 V291 K292 C293R177-Y188 VanDerWaalsContact NE-CE2 3.28Å; R177-Y188 PolarHBondContact NH2-OH 3.03Å; L181-Y188 HydrophobicContact CD2-CD1 3.68Å; L181-Y188 HydrophobicContact CD2-CD2 4.05Å; L181-Y188 HydrophobicContact CD2-CE1 4.3Å; L181-Y188 HydrophobicContact CD2-CG 3.52Å; F186-Y188 HydrophobicContact CE1-CD2 4.33Å; F186-Y188 HydrophobicContact CE1-CG 4.47Å; Y188-Q190 HydrophobicContact CE1-CB 3.78Å; Y188-Q190 PolarHBondContact OH-OE1 3.44Å; Y188-V291 HydrophobicContact CD2-CG1 4.28Å; Y188-V291 HydrophobicContact CE2-CG1 3.52Å; Y188-K292 WeakPolarHBondContact CA-O 3.46Å; Y188-C293 HydrophobicContact CD2-CB 4.13Å
189S97.1Very high94.1Very high55 Ų5572.3 Ų72.339%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-137144168.362.50000110.1V291 K292S189-V291 WeakPolarHBondContact O-CA 3.48Å; S189-K292 PolarHBondContact N-O 3.16Å; S189-K292 PolarHBondContact O-N 3.33Å; S189-K292 VanDerWaalsContact O-N 3.09Å; S189-K292 PolarHBondContact OG-O 2.95Å
190Q96.4Very high94.3Very high81 Ų8170.4 Ų70.438%0.37934%0.336SS..EExtended strand (participates in β ladder)trans-138.5126.1175.1-179.9-177.8-38.500108.5Y188 Y192 V289 S290 V291Y188-Q190 HydrophobicContact CE1-CB 3.78Å; Y188-Q190 PolarHBondContact OH-OE1 3.44Å; Q190-Y192 VanDerWaalsContact NE2-CE2 3.3Å; Q190-V289 HydrophobicContact CG-CG2 3.47Å; Q190-V289 VanDerWaalsContact CG-CG2 3.47Å; Q190-S290 CarbonylContact C-O 3.58Å; Q190-S290 WeakPolarHBondContact CA-O 3.32Å; Q190-V291 HydrophobicContact CB-CG2 4.36Å; Q190-V291 HydrophobicContact CG-CG2 4.07Å
191T96.4Very high94.2Very high73 Ų7372.8 Ų72.845%0.44835%0.351SS..EExtended strand (participates in β ladder)trans-132.4118.9-178.2-55.10000109.4V289 S290T191-V289 WeakPolarHBondContact O-CA 3.46Å; T191-S290 PolarHBondContact N-O 3.18Å; T191-S290 PolarHBondContact O-N 2.82Å
192Y96.2Very high94.4Very high121 Ų12168.6 Ų68.648%0.47533%0.329SS..EExtended strand (participates in β ladder)trans-81.4131.8163.9-72.7-75.3000108.8F173 Q190 A287 V289F173-Y192 VanDerWaalsContact CE1-OH 3.32Å; F173-Y192 WeakPolarHBondContact CE1-OH 3.49Å; Q190-Y192 VanDerWaalsContact NE2-CE2 3.3Å; Y192-A287 HydrophobicContact CD1-CB 3.99Å; Y192-A287 HydrophobicContact CE1-CB 4.05Å; Y192-V289 HydrophobicContact CD1-CB 3.9Å; Y192-V289 HydrophobicContact CD1-CG2 4.14Å; Y192-V289 HydrophobicContact CE1-CB 3.77Å; Y192-V289 HydrophobicContact CE1-CG2 4.02Å
193I95.1Very high94.7Very high8 Ų865.4 Ų65.44%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-87.115217558.1167.4000110.6H195 M288 V313 F315 M364 Y367I193-H195 HydrophobicContact CD1-CB 4.42Å; I193-H195 PolarHBondContact O-N 3Å; I193-H195 VanDerWaalsContact O-N 3.14Å; I193-M288 HydrophobicContact CD1-CB 3.87Å; I193-M288 HydrophobicContact CD1-CE 3.72Å; I193-M288 HydrophobicContact CD1-SD 4.27Å; I193-M288 HydrophobicContact CG1-CB 3.8Å; I193-M288 HydrophobicContact CG1-CE 4.34Å; I193-M288 PolarHBondContact N-O 3.43Å; I193-V313 HydrophobicContact CD1-CB 4.39Å; I193-V313 HydrophobicContact CD1-CG1 3.86Å; I193-V313 HydrophobicContact CG1-CG1 4.33Å; I193-V313 HydrophobicContact CG2-CG1 4.15Å; I193-F315 HydrophobicContact CD1-CE2 3.5Å; I193-F315 VanDerWaalsContact CD1-CE2 3.5Å; I193-F315 HydrophobicContact CD1-CZ 4.01Å; I193-M364 HydrophobicContact CG2-CE 3.79Å; I193-M364 HydrophobicContact CG2-SD 3.95Å; I193-Y367 HydrophobicContact CB-CE1 4.17Å; I193-Y367 HydrophobicContact CD1-CD2 4.02Å; I193-Y367 HydrophobicContact CD1-CE2 3.78Å; I193-Y367 HydrophobicContact CG2-CD1 4.46Å; I193-Y367 HydrophobicContact CG2-CE1 4.14Å
194P95.7Very high95.1Very high89 Ų8963.1 Ų63.158%0.57832%0.315SS*.EExtended strand (participates in β ladder)trans-58.2-23.8179-28.232.9000115.5P243 F244 Y367P194-P243 WeakPolarHBondContact O-CA 3.34Å; P194-F244 WeakPolarHBondContact O-CD2 3.38Å; P194-F244 PolarHBondContact O-N 3.01Å; P194-Y367 WeakPolarHBondContact CD-OH 3.47Å
195H95.9Very high95.3Very high10 Ų1063.2 Ų63.25%0.04630%0.298CS..EExtended strand (participates in β ladder)trans-83.1136.8179.7-71.862.5000111.8I193 T223 M242 P243 M288 Y367 F371I193-H195 HydrophobicContact CD1-CB 4.42Å; I193-H195 PolarHBondContact O-N 3Å; I193-H195 VanDerWaalsContact O-N 3.14Å; H195-T223 PolarHBondContact NE2-O 2.74Å; H195-T223 VanDerWaalsContact NE2-O 3.09Å; H195-M242 CarbonylContact C-O 3.02Å; H195-M242 WeakPolarHBondContact CA-O 3.44Å; H195-M242 VanDerWaalsContact CD2-C 3.48Å; H195-P243 WeakPolarHBondContact NE2-CD 3.32Å; H195-M288 HydrophobicContact CB-CE 3.81Å; H195-M288 WeakPolarHBondContact O-CE 3.49Å; H195-Y367 HydrophobicContact CB-CE2 4.03Å; H195-Y367 AromaticContact CE1-CE2 3.98Å; H195-Y367 AromaticContact CG-CE2 3.75Å; H195-Y367 AromaticContact ND1-CE2 3.44Å; H195-Y367 WeakPolarHBondContact ND1-CE2 3.34Å; H195-Y367 AromaticContact ND1-CZ 3.53Å; H195-Y367 PolarHBondContact ND1-OH 3.36Å; H195-F371 AromaticContact CD2-CE1 3.95Å; H195-F371 AromaticContact CE1-CG 3.8Å; H195-F371 AromaticContact NE2-CD1 3.38Å; H195-F371 WeakPolarHBondContact NE2-CD1 3.38Å; H195-F371 AromaticContact NE2-CD2 3.87Å; H195-F371 AromaticContact NE2-CE1 3.73Å; H195-F371 AromaticContact NE2-CG 3.45Å; H195-F371 WeakPolarHBondContact NE2-CG 3.23Å
196G95.4Very high95.3Very high0 Ų060.6 Ų60.60%030%0.301CS..EExtended strand (participates in β ladder)trans-96.9171.6161.700000111.2F241 M242 Q286G196-F241 WeakPolarHBondContact O-CA 3.44Å; G196-M242 PolarHBondContact N-O 2.9Å; G196-M242 PolarHBondContact O-N 2.86Å; G196-Q286 CarbonylContact C-O 3.53Å; G196-Q286 WeakPolarHBondContact CA-O 3.39Å
197Y94.8Very high95.1Very high15 Ų1561.6 Ų61.66%0.05932%0.319CS..EExtended strand (participates in β ladder)trans-127.7153167.475-85.7000112.6R55 I57 T239 L240 F241 A285 Q286 M288R55-Y197 WeakPolarHBondContact CB-OH 3.32Å; R55-Y197 WeakPolarHBondContact CD-OH 3.3Å; I57-Y197 HydrophobicContact CD1-CD2 3.76Å; I57-Y197 HydrophobicContact CD1-CE1 4.41Å; I57-Y197 HydrophobicContact CD1-CE2 3.62Å; I57-Y197 HydrophobicContact CD1-CG 4.23Å; I57-Y197 HydrophobicContact CG1-CD2 4.08Å; I57-Y197 HydrophobicContact CG1-CE2 3.75Å; Y197-T239 HydrophobicContact CD2-CG2 4Å; Y197-T239 HydrophobicContact CG-CG2 4.29Å; Y197-L240 CarbonylContact C-O 3.59Å; Y197-L240 WeakPolarHBondContact CA-O 3.19Å; Y197-F241 HydrophobicContact CG-CE1 4.4Å; Y197-A285 WeakPolarHBondContact O-CA 3.47Å; Y197-Q286 HydrophobicContact CD1-CB 3.77Å; Y197-Q286 WeakPolarHBondContact CD1-O 3.12Å; Y197-Q286 HydrophobicContact CD2-CB 4.35Å; Y197-Q286 HydrophobicContact CE1-CB 3.32Å; Y197-Q286 HydrophobicContact CE1-CG 4.36Å; Y197-Q286 HydrophobicContact CE2-CB 3.94Å; Y197-Q286 HydrophobicContact CE2-CG 4.17Å; Y197-Q286 HydrophobicContact CG-CB 4.27Å; Y197-Q286 PolarHBondContact N-O 3.16Å; Y197-Q286 PolarHBondContact O-N 3.14Å; Y197-M288 HydrophobicContact CD1-CG 3.59Å; Y197-M288 HydrophobicContact CD1-SD 3.96Å; Y197-M288 HydrophobicContact CE1-CG 4.02Å
198M93.4Very high95.1Very high12 Ų1261 Ų616%0.05931%0.312CS..EExtended strand (participates in β ladder)trans-138.4141.5175.6179.9-174-73.300110.1L200 T239 L240 F247 Y280M198-L200 HydrophobicContact SD-CD2 4.3Å; M198-T239 WeakPolarHBondContact O-CA 3.49Å; M198-L240 PolarHBondContact N-O 2.82Å; M198-L240 PolarHBondContact O-N 3.09Å; M198-F247 HydrophobicContact CB-CE1 3.98Å; M198-F247 HydrophobicContact CB-CZ 4.03Å; M198-F247 HydrophobicContact CE-CD1 3.94Å; M198-F247 HydrophobicContact CE-CE1 3.69Å; M198-F247 HydrophobicContact SD-CE1 4.21Å; M198-Y280 HydrophobicContact CE-CD1 4.18Å; M198-Y280 HydrophobicContact CE-CD2 4.19Å; M198-Y280 HydrophobicContact CE-CE1 4.2Å; M198-Y280 HydrophobicContact CE-CE2 4.2Å; M198-Y280 HydrophobicContact CE-CG 4.18Å; M198-Y280 WeakPolarHBondContact CE-O 3.34Å; M198-Y280 VanDerWaalsContact SD-CA 3.59Å; M198-Y280 HydrophobicContact SD-CD1 4.37Å; M198-Y280 HydrophobicContact SD-CD2 3.5Å; M198-Y280 WeakPolarHBondContact SD-CD2 3.47Å; M198-Y280 HydrophobicContact SD-CE2 3.9Å; M198-Y280 HydrophobicContact SD-CG 3.76Å; M198-Y280 VanDerWaalsContact SD-O 3.32Å
199E92.6Very high95.1Very high63 Ų6359.9 Ų59.929%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-95.1131.7177.4-72.5164.9-156.100110.9S56 I57 T237 C238S56-E199 VanDerWaalsContact CA-OE1 3.32Å; S56-E199 WeakPolarHBondContact CA-OE1 3.44Å; S56-E199 PolarHBondContact N-OE1 3.37Å; I57-E199 PolarHBondContact N-OE1 3.24Å; I57-E199 VanDerWaalsContact N-OE1 3.09Å; E199-T237 HydrophobicContact CG-CG2 4.5Å; E199-C238 CarbonylContact C-O 3.53Å; E199-C238 WeakPolarHBondContact CA-O 3.39Å
200L93.9Very high95.1Very high0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-124.3150.1173.9-59.6170.1000108.5M198 C238 F260 I271 L276 D279M198-L200 HydrophobicContact SD-CD2 4.3Å; L200-C238 HydrophobicContact CB-CB 4.06Å; L200-C238 PolarHBondContact N-O 3.36Å; L200-C238 PolarHBondContact O-N 3.41Å; L200-F260 HydrophobicContact CD1-CE1 4.21Å; L200-F260 HydrophobicContact CD1-CZ 3.61Å; L200-I271 HydrophobicContact CD1-CD1 4.49Å; L200-L276 HydrophobicContact CD1-CD1 3.73Å; L200-L276 HydrophobicContact CD2-CD1 4.12Å; L200-D279 HydrophobicContact CD2-CB 3.99Å
201T92.3Very high95.1Very high51 Ų5155.1 Ų55.131%0.31328%0.284SS..EExtended strand (participates in β ladder)trans-111.2123-178.4-55.70000111.2R203 T235T201-R203 HydrophobicContact CG2-CG 4.46Å; T201-T235 HydrophobicContact CG2-CG2 4.46Å
202M95.3Very high95.2Very high0 Ų057.3 Ų57.30%029%0.287CS..EExtended strand (participates in β ladder)trans-95.2118.8168.7-171.3-177-6200109.5A210 M211 T235 F236 L270 I271M202-A210 HydrophobicContact CG-CB 4.12Å; M202-A210 HydrophobicContact SD-CB 3.86Å; M202-M211 HydrophobicContact CE-CE 3.56Å; M202-M211 HydrophobicContact CE-SD 4.04Å; M202-M211 HydrophobicContact SD-CE 3.54Å; M202-M211 VanDerWaalsContact SD-CE 3.54Å; M202-M211 HydrophobicContact SD-CG 4.12Å; M202-M211 HydrophobicContact SD-SD 4.13Å; M202-T235 CarbonylContact O-C 3.46Å; M202-T235 WeakPolarHBondContact O-CA 3.22Å; M202-T235 VanDerWaalsContact O-CB 3.28Å; M202-T235 WeakPolarHBondContact O-CB 3.38Å; M202-F236 HydrophobicContact CB-CB 4.04Å; M202-F236 PolarHBondContact N-O 2.97Å; M202-F236 PolarHBondContact O-N 2.74Å; M202-F236 HydrophobicContact SD-CD2 4.06Å; M202-L270 HydrophobicContact CE-CB 3.62Å; M202-L270 HydrophobicContact CE-CD1 3.99Å; M202-L270 HydrophobicContact CE-CG 4.37Å; M202-L270 HydrophobicContact CG-CB 4.3Å; M202-L270 WeakPolarHBondContact CG-O 3.31Å; M202-L270 HydrophobicContact SD-CB 3.82Å; M202-L270 HydrophobicContact SD-CD1 4.47Å; M202-L270 HydrophobicContact SD-CD2 4.41Å; M202-L270 HydrophobicContact SD-CG 4.47Å; M202-I271 HydrophobicContact CB-CG1 4.32Å; M202-I271 HydrophobicContact CE-CG1 4.18Å; M202-I271 HydrophobicContact CG-CG1 4.48Å
203R95Very high95.2Very high140 Ų14053.1 Ų53.153%0.52828%0.275SS..PPolyproline II helixtrans-85.6158-175.8-69.1-174.3176.7-130.1-2.6112.5T201T201-R203 HydrophobicContact CG2-CG 4.46Å
204P96.3Very high95.3Very high48 Ų4855.7 Ų55.731%0.31229%0.288SS..PPolyproline II helixtrans-59.3148.8172.3-18.830.8000111.1E208 K234 T235P204-E208 CarbonylContact C-O 3.6Å; P204-E208 WeakPolarHBondContact CA-O 3.31Å; P204-E208 VanDerWaalsContact CB-O 3.32Å; P204-E208 WeakPolarHBondContact CB-O 3.33Å; P204-K234 HydrophobicContact CB-CB 4.28Å; P204-K234 HydrophobicContact CG-CB 4.07Å; P204-T235 HydrophobicContact CG-CG2 4.3Å
205R93.8Very high95.3Very high115 Ų11554 Ų5443%0.43427%0.271SS..BIsolated β-bridgetrans-108.1123.2170-72.6-176.5172.8-167.2-2.4108.9G207 E208 A210 P269R205-G207 PolarHBondContact O-N 3.43Å; R205-E208 PolarHBondContact N-O 3.49Å; R205-E208 PolarHBondContact O-N 3.37Å; R205-A210 HydrophobicContact CG-CB 4.02Å; R205-P269 PolarHBondContact NH2-O 2.96Å
206N93.2Very high95.3Very high170 Ų17054.7 Ų54.791%0.90928%0.275SS*.THydrogen-bonded Turntrans52.436.1-178-54.9-25.7000113.1E208N206-E208 VanDerWaalsContact C-N 3.27Å; N206-E208 PolarHBondContact O-N 3.33Å
207G93.8Very high95.4Very high49 Ų4954.8 Ų54.851%0.50528%0.275SS..THydrogen-bonded Turntrans759.6-177.700000115.2R205 K234R205-G207 PolarHBondContact O-N 3.43Å; G207-K234 WeakPolarHBondContact O-CD 3.47Å; G207-K234 WeakPolarHBondContact O-CE 3.35Å; G207-K234 PolarHBondContact O-NZ 3.22Å
208E97.3Very high95.4Very high108 Ų10854.8 Ų54.851%0.50528%0.276SS..BIsolated β-bridgetrans-121.6163.9177.3-67.1-55.1145.900112.7P204 R205 N206 A210 K234P204-E208 CarbonylContact C-O 3.6Å; P204-E208 WeakPolarHBondContact CA-O 3.31Å; P204-E208 VanDerWaalsContact CB-O 3.32Å; P204-E208 WeakPolarHBondContact CB-O 3.33Å; R205-E208 PolarHBondContact N-O 3.49Å; R205-E208 PolarHBondContact O-N 3.37Å; N206-E208 VanDerWaalsContact C-N 3.27Å; N206-E208 PolarHBondContact O-N 3.33Å; E208-A210 PolarHBondContact O-N 2.85Å; E208-K234 IonicContact OE1-NZ 3.27Å; E208-K234 PolarHBondContact OE1-NZ 3.18Å; E208-K234 IonicContact OE2-NZ 3.97Å; E208-K234 PolarHBondContact OE2-NZ 2.92Å
209F97.6Very high95.6Very high50 Ų5054.2 Ų54.222%0.21927%0.273CS..  trans-57.6134.3174.9-71.1-86.8000111I83 M211 P213 P230 N231 K234 F236I83-F209 HydrophobicContact CD1-CE1 4.12Å; I83-F209 HydrophobicContact CD1-CZ 3.78Å; F209-M211 VanDerWaalsContact CB-O 3.26Å; F209-M211 WeakPolarHBondContact CB-O 3.45Å; F209-M211 PolarHBondContact O-N 3.28Å; F209-P213 HydrophobicContact CB-CB 4.49Å; F209-P213 HydrophobicContact CD1-CB 3.78Å; F209-P213 HydrophobicContact CD2-CB 3.81Å; F209-P213 HydrophobicContact CD2-CG 3.85Å; F209-P213 HydrophobicContact CE1-CB 3.77Å; F209-P213 HydrophobicContact CE2-CB 3.84Å; F209-P213 HydrophobicContact CE2-CG 4.08Å; F209-P213 HydrophobicContact CG-CB 3.79Å; F209-P213 HydrophobicContact CG-CG 4.15Å; F209-P213 HydrophobicContact CZ-CB 3.83Å; F209-P230 HydrophobicContact CE1-CB 4.03Å; F209-N231 VanDerWaalsContact CE1-O 3.26Å; F209-N231 WeakPolarHBondContact CE1-O 3.25Å; F209-N231 WeakPolarHBondContact CZ-O 3.46Å; F209-K234 HydrophobicContact CD1-CB 4.03Å; F209-K234 WeakPolarHBondContact CD1-O 3.34Å; F209-K234 HydrophobicContact CD2-CB 4.07Å; F209-K234 HydrophobicContact CD2-CD 4.3Å; F209-K234 HydrophobicContact CD2-CG 4Å; F209-K234 VanDerWaalsContact CE1-CA 3.42Å; F209-K234 HydrophobicContact CE1-CB 4.1Å; F209-K234 HydrophobicContact CE1-CG 4.48Å; F209-K234 HydrophobicContact CE2-CB 4.1Å; F209-K234 HydrophobicContact CE2-CD 4.34Å; F209-K234 HydrophobicContact CE2-CG 3.72Å; F209-K234 HydrophobicContact CG-CB 4.03Å; F209-K234 HydrophobicContact CG-CG 4.48Å; F209-K234 HydrophobicContact CZ-CB 4.11Å; F209-K234 HydrophobicContact CZ-CG 3.98Å; F209-F236 HydrophobicContact CB-CE2 4.07Å; F209-F236 HydrophobicContact CD1-CD2 4.35Å; F209-F236 AromaticContact CD1-CE2 3.64Å; F209-F236 HydrophobicContact CD1-CE2 3.64Å; F209-F236 AromaticContact CD1-CZ 3.94Å; F209-F236 HydrophobicContact CD1-CZ 3.94Å; F209-F236 HydrophobicContact CG-CE2 4.34Å
210A96.8Very high95.5Very high17 Ų1752 Ų5214%0.1426%0.264CS..SBendtrans-70.8-16.2178.500000113.7M202 R205 E208 L270M202-A210 HydrophobicContact CG-CB 4.12Å; M202-A210 HydrophobicContact SD-CB 3.86Å; R205-A210 HydrophobicContact CG-CB 4.02Å; E208-A210 PolarHBondContact O-N 2.85Å; A210-L270 HydrophobicContact CB-CD2 4.17Å; A210-L270 WeakPolarHBondContact O-CD2 3.47Å
211M96.8Very high95.4Very high18 Ų1852.8 Ų52.89%0.08927%0.267CS..SBendtrans-142.6173.5177.2-60.1-176.5-59.900110.4M202 F209 P213 H217 W219 A228 F236 L270M202-M211 HydrophobicContact CE-CE 3.56Å; M202-M211 HydrophobicContact CE-SD 4.04Å; M202-M211 HydrophobicContact SD-CE 3.54Å; M202-M211 VanDerWaalsContact SD-CE 3.54Å; M202-M211 HydrophobicContact SD-CG 4.12Å; M202-M211 HydrophobicContact SD-SD 4.13Å; F209-M211 VanDerWaalsContact CB-O 3.26Å; F209-M211 WeakPolarHBondContact CB-O 3.45Å; F209-M211 PolarHBondContact O-N 3.28Å; M211-P213 WeakPolarHBondContact O-CD 3.29Å; M211-H217 HydrophobicContact CE-CB 4.29Å; M211-W219 HydrophobicContact CE-CH2 3.84Å; M211-W219 HydrophobicContact SD-CH2 3.74Å; M211-W219 HydrophobicContact SD-CZ2 4.05Å; M211-A228 HydrophobicContact CE-CB 4.35Å; M211-F236 HydrophobicContact CB-CE2 4.12Å; M211-F236 HydrophobicContact CB-CZ 3.99Å; M211-F236 HydrophobicContact CE-CD1 4.07Å; M211-F236 HydrophobicContact CE-CD2 4.2Å; M211-F236 HydrophobicContact CE-CE1 4.12Å; M211-F236 HydrophobicContact CE-CE2 4.24Å; M211-F236 HydrophobicContact CE-CG 4.13Å; M211-F236 HydrophobicContact CE-CZ 4.2Å; M211-L270 HydrophobicContact CG-CD1 3.93Å; M211-L270 HydrophobicContact CG-CD2 3.82Å; M211-L270 HydrophobicContact SD-CD1 3.53Å; M211-L270 VanDerWaalsContact SD-CD1 3.53Å
212K97.4Very high95Very high120 Ų12053.2 Ų53.252%0.52227%0.268SS..  trans-62.7114.4178-66.2-179.9179.9175.90110.8M89 N214 Y215 H217M89-K212 HydrophobicContact CE-CD 4.14Å; K212-N214 PolarHBondContact O-N 2.78Å; K212-Y215 HydrophobicContact CB-CD2 3.65Å; K212-Y215 HydrophobicContact CB-CE2 3.81Å; K212-Y215 HydrophobicContact CD-CD2 4.46Å; K212-Y215 HydrophobicContact CD-CE2 3.88Å; K212-Y215 HydrophobicContact CG-CE2 4.48Å; K212-H217 PolarHBondContact O-NE2 2.95Å
213P96.7Very high94.7Very high33 Ų3355.4 Ų55.421%0.21428%0.281CS..THydrogen-bonded Turntrans-70.3-26.5-168.826.4-34.7000114.5I83 F209 M211 Y215 P230I83-P213 HydrophobicContact CG2-CB 4.49Å; F209-P213 HydrophobicContact CB-CB 4.49Å; F209-P213 HydrophobicContact CD1-CB 3.78Å; F209-P213 HydrophobicContact CD2-CB 3.81Å; F209-P213 HydrophobicContact CD2-CG 3.85Å; F209-P213 HydrophobicContact CE1-CB 3.77Å; F209-P213 HydrophobicContact CE2-CB 3.84Å; F209-P213 HydrophobicContact CE2-CG 4.08Å; F209-P213 HydrophobicContact CG-CB 3.79Å; F209-P213 HydrophobicContact CG-CG 4.15Å; F209-P213 HydrophobicContact CZ-CB 3.83Å; M211-P213 WeakPolarHBondContact O-CD 3.29Å; P213-Y215 PolarHBondContact O-N 2.78Å; P213-P230 HydrophobicContact CB-CB 4.37Å; P213-P230 VanDerWaalsContact O-CG 3.25Å; P213-P230 WeakPolarHBondContact O-CG 3.22Å
214N96.8Very high94.6Very high61 Ų6149.3 Ų49.333%0.32626%0.258SS..THydrogen-bonded Turntrans-86.134.6-172.8-58.6101.7000114.4P84 M85 N86 K212P84-N214 WeakPolarHBondContact O-CA 3.28Å; P84-N214 VanDerWaalsContact O-CB 3.29Å; P84-N214 WeakPolarHBondContact O-CB 3.12Å; P84-N214 PolarHBondContact O-ND2 2.91Å; M85-N214 WeakPolarHBondContact CA-O 3.38Å; N86-N214 PolarHBondContact N-O 2.9Å; K212-N214 PolarHBondContact O-N 2.78Å
215Y96.4Very high94.4Very high54 Ų5448 Ų4821%0.21225%0.249CC..EExtended strand (participates in β ladder)trans-134.3146178.6-66.2-96.4000111.6A87 M89 P99 K212 P213 H217A87-Y215 HydrophobicContact CB-CD1 3.57Å; A87-Y215 HydrophobicContact CB-CE1 3.48Å; A87-Y215 VanDerWaalsContact CB-CE1 3.48Å; A87-Y215 WeakPolarHBondContact O-CA 3.44Å; M89-Y215 HydrophobicContact CB-CD1 3.88Å; M89-Y215 HydrophobicContact CB-CG 3.94Å; M89-Y215 HydrophobicContact CE-CD1 3.76Å; M89-Y215 HydrophobicContact CE-CD2 4.05Å; M89-Y215 HydrophobicContact CE-CE1 3.62Å; M89-Y215 HydrophobicContact CE-CE2 3.94Å; M89-Y215 HydrophobicContact CE-CG 3.98Å; P99-Y215 HydrophobicContact CB-CE1 3.68Å; K212-Y215 HydrophobicContact CB-CD2 3.65Å; K212-Y215 HydrophobicContact CB-CE2 3.81Å; K212-Y215 HydrophobicContact CD-CD2 4.46Å; K212-Y215 HydrophobicContact CD-CE2 3.88Å; K212-Y215 HydrophobicContact CG-CE2 4.48Å; P213-Y215 PolarHBondContact O-N 2.78Å; Y215-H217 PolarHBondContact O-CD2 3.29Å; Y215-H217 PolarHBondContact O-N 2.7Å
216L95.6Very high94.5Very high25 Ų2542.5 Ų42.513%0.13123%0.228CC..EExtended strand (participates in β ladder)trans-79.3107.1157.9176.561.8000107.5M85 A87 R88 M89 Y102 I109 I218 I227 L229M85-L216 HydrophobicContact SD-CB 3.83Å; M85-L216 HydrophobicContact SD-CD1 4.3Å; A87-L216 PolarHBondContact O-N 3Å; R88-L216 CarbonylContact C-O 3.33Å; R88-L216 WeakPolarHBondContact CA-O 3.45Å; M89-L216 PolarHBondContact N-O 2.9Å; Y102-L216 WeakPolarHBondContact OH-CB 3.1Å; Y102-L216 WeakPolarHBondContact OH-CD2 3.32Å; I109-L216 HydrophobicContact CD1-CD2 4.39Å; L216-I218 HydrophobicContact CD2-CD1 4.08Å; L216-I218 HydrophobicContact CD2-CG1 4.37Å; L216-I218 HydrophobicContact CG-CD1 4.22Å; L216-I218 HydrophobicContact CG-CG1 4.01Å; L216-I227 HydrophobicContact CD1-CB 4.48Å; L216-L229 HydrophobicContact CD1-CD1 3.55Å; L216-L229 HydrophobicContact CD1-CG 3.8Å
217H97.2Very high94.6Very high1 Ų135.8 Ų35.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-79.7133.8178.8-70.5-97.7000110.2M89 H91 M211 K212 Y215 W219 I227 A228 F236M89-H217 WeakPolarHBondContact O-CA 3.5Å; H91-H217 AromaticContact CD2-ND1 3.87Å; H91-H217 AromaticContact CE1-ND1 3.68Å; H91-H217 AromaticContact NE2-CE1 3.76Å; H91-H217 AromaticContact NE2-CG 3.79Å; H91-H217 AromaticContact NE2-ND1 2.82Å; H91-H217 PolarHBondContact NE2-ND1 2.53Å; M211-H217 HydrophobicContact CE-CB 4.29Å; K212-H217 PolarHBondContact O-NE2 2.95Å; Y215-H217 PolarHBondContact O-CD2 3.29Å; Y215-H217 PolarHBondContact O-N 2.7Å; H217-W219 HydrophobicContact CB-CE3 4.4Å; H217-W219 HydrophobicContact CB-CH2 3.74Å; H217-W219 HydrophobicContact CB-CZ3 3.45Å; H217-W219 VanDerWaalsContact CB-CZ3 3.45Å; H217-I227 CarbonylContact O-C 3.54Å; H217-I227 WeakPolarHBondContact O-CA 3.4Å; H217-A228 HydrophobicContact CB-CB 4.07Å; H217-A228 PolarHBondContact N-O 3.15Å; H217-A228 VanDerWaalsContact N-O 3.16Å; H217-A228 PolarHBondContact O-N 2.93Å; H217-F236 AromaticContact CD2-CE1 3.74Å; H217-F236 AromaticContact NE2-CE1 3.96Å
218I95.8Very high94.8Very high15 Ų1533.5 Ų33.58%0.07717%0.168CC..EExtended strand (participates in β ladder)trans-136.4126.1-176.6-49178.2000108.7R88 M89 I90 H91 L216 P220 M225 M226 I227R88-I218 HydrophobicContact CB-CD1 4.18Å; R88-I218 HydrophobicContact CG-CD1 4.21Å; M89-I218 PolarHBondContact O-N 3.27Å; I90-I218 WeakPolarHBondContact CA-O 3.33Å; I90-I218 HydrophobicContact CD1-CB 3.95Å; I90-I218 HydrophobicContact CD1-CD1 4.09Å; I90-I218 HydrophobicContact CD1-CG1 4.37Å; H91-I218 PolarHBondContact N-O 3.04Å; L216-I218 HydrophobicContact CD2-CD1 4.08Å; L216-I218 HydrophobicContact CD2-CG1 4.37Å; L216-I218 HydrophobicContact CG-CD1 4.22Å; L216-I218 HydrophobicContact CG-CG1 4.01Å; I218-P220 VanDerWaalsContact C-CD 3.47Å; I218-P220 HydrophobicContact CG2-CB 4.39Å; I218-P220 WeakPolarHBondContact O-CD 3.47Å; I218-M225 HydrophobicContact CG2-CE 3.99Å; I218-M225 HydrophobicContact CG2-CG 4.29Å; I218-M225 HydrophobicContact CG2-SD 4.17Å; I218-M226 CarbonylContact C-O 3.55Å; I218-M226 WeakPolarHBondContact CA-O 3.23Å; I218-I227 HydrophobicContact CG1-CG2 4.25Å; I218-I227 HydrophobicContact CG2-CG2 4.23Å
219W96.3Very high94.7Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-107.183.1167.4-68.9-108.6000108.2H91 M211 H217 M225 M226 A228 F264 D266 L270H91-W219 HydrophobicContact CB-CB 4.49Å; H91-W219 HydrophobicContact CB-CD2 3.77Å; H91-W219 HydrophobicContact CB-CG 3.64Å; H91-W219 HydrophobicContact CB-CZ2 4.26Å; H91-W219 AromaticContact CD2-CE2 3.85Å; H91-W219 AromaticContact CD2-CZ2 3.79Å; H91-W219 AromaticContact CE1-CE2 3.94Å; H91-W219 AromaticContact CE1-CH2 3.82Å; H91-W219 AromaticContact CE1-CZ2 3.33Å; H91-W219 WeakPolarHBondContact CE1-CZ2 3.31Å; H91-W219 AromaticContact CG-CD2 3.86Å; H91-W219 AromaticContact CG-CE2 3.33Å; H91-W219 AromaticContact CG-CZ2 3.55Å; H91-W219 AromaticContact CG-NE1 3.49Å; H91-W219 AromaticContact ND1-CE2 3.41Å; H91-W219 AromaticContact ND1-CZ2 3.25Å; H91-W219 VanDerWaalsContact ND1-CZ2 3.25Å; H91-W219 WeakPolarHBondContact ND1-CZ2 3.35Å; H91-W219 AromaticContact ND1-NE1 3.53Å; H91-W219 AromaticContact NE2-CH2 3.79Å; H91-W219 AromaticContact NE2-CZ2 3.71Å; M211-W219 HydrophobicContact CE-CH2 3.84Å; M211-W219 HydrophobicContact SD-CH2 3.74Å; M211-W219 HydrophobicContact SD-CZ2 4.05Å; H217-W219 HydrophobicContact CB-CE3 4.4Å; H217-W219 HydrophobicContact CB-CH2 3.74Å; H217-W219 HydrophobicContact CB-CZ3 3.45Å; H217-W219 VanDerWaalsContact CB-CZ3 3.45Å; W219-M225 WeakPolarHBondContact O-CA 3.43Å; W219-M226 HydrophobicContact CB-CB 4.18Å; W219-M226 HydrophobicContact CD2-CE 3.67Å; W219-M226 HydrophobicContact CE3-CB 4.42Å; W219-M226 HydrophobicContact CE3-CE 3.74Å; W219-M226 HydrophobicContact CG-CE 4.08Å; W219-M226 HydrophobicContact CH2-CE 4.49Å; W219-M226 HydrophobicContact CZ2-CE 4.41Å; W219-M226 HydrophobicContact CZ3-CE 4.15Å; W219-M226 PolarHBondContact N-O 3.05Å; W219-M226 PolarHBondContact O-N 3.02Å; W219-M226 VanDerWaalsContact O-N 3.13Å; W219-A228 HydrophobicContact CH2-CB 4.37Å; W219-A228 HydrophobicContact CZ3-CB 3.88Å; W219-F264 HydrophobicContact CB-CD1 3.58Å; W219-F264 HydrophobicContact CB-CE1 3.59Å; W219-F264 AromaticContact CD1-CD1 3.86Å; W219-F264 AromaticContact CG-CD1 3.9Å; W219-F264 HydrophobicContact CG-CD1 3.9Å; W219-F264 HydrophobicContact CG-CE1 4.39Å; W219-D266 PolarHBondContact NE1-OD1 3.09Å; W219-D266 PolarHBondContact NE1-OD2 2.77Å; W219-L270 HydrophobicContact CZ2-CD1 4.44Å
220P92.3Very high94.6Very high17 Ų1726.3 Ų26.311%0.1114%0.135CC..EExtended strand (participates in β ladder)trans-74.8131.5178.432.5-33.8000109.3I90 I218 M225 W376I90-P220 HydrophobicContact CG2-CG 3.85Å; I218-P220 VanDerWaalsContact C-CD 3.47Å; I218-P220 HydrophobicContact CG2-CB 4.39Å; I218-P220 WeakPolarHBondContact O-CD 3.47Å; P220-M225 HydrophobicContact CB-CE 4.16Å; P220-W376 HydrophobicContact CB-CH2 3.99Å; P220-W376 HydrophobicContact CB-CZ2 4.02Å; P220-W376 HydrophobicContact CG-CH2 4.31Å
221R91.6Very high94.5Very high16 Ų1626.5 Ų26.56%0.0613%0.134CC..  trans-129.3177.9168.2-48.8-69.9178.9-98.55.7108.1H91 S92 F224 Y263 F264H91-R221 PolarHBondContact O-NH1 2.93Å; S92-R221 PolarHBondContact O-NH2 3.36Å; R221-F224 CarbonylContact C-O 3.32Å; R221-F224 VanDerWaalsContact C-O 3.32Å; R221-F224 VanDerWaalsContact CA-O 3.27Å; R221-F224 WeakPolarHBondContact CA-O 3.42Å; R221-F224 HydrophobicContact CB-CD2 3.32Å; R221-F224 HydrophobicContact CB-CE2 3.37Å; R221-F224 HydrophobicContact CB-CG 4.26Å; R221-F224 HydrophobicContact CB-CZ 4.35Å; R221-F224 WeakPolarHBondContact CB-O 3.18Å; R221-F224 HydrophobicContact CG-CD2 3.53Å; R221-F224 HydrophobicContact CG-CE2 3.57Å; R221-F224 PolarHBondContact N-O 3.36Å; R221-Y263 PolarHBondContact NE-O 3.38Å; R221-Y263 PolarHBondContact NH2-O 2.68Å; R221-F264 HydrophobicContact CG-CE1 3.77Å; R221-F264 HydrophobicContact CG-CZ 3.93Å
222N83.1Confident94.3Very high61 Ų6130.9 Ų30.933%0.32616%0.157SC..SBendtrans-64.4-56.8-172.5-155.140.1000112.2F371 P373 W376N222-F371 CarbonylContact O-C 3.47Å; N222-F371 VanDerWaalsContact O-CA 3.26Å; N222-F371 WeakPolarHBondContact O-CA 3.14Å; N222-P373 WeakPolarHBondContact ND2-CB 3.29Å; N222-P373 WeakPolarHBondContact OD1-CA 3.26Å; N222-W376 WeakPolarHBondContact OD1-CB 3.39Å
223T89.4Confident94Very high46 Ų4630 Ų3028%0.28216%0.158SC..SBendtrans-114.510.9-177.954.10000112.8H195 P243 P373H195-T223 PolarHBondContact NE2-O 2.74Å; H195-T223 VanDerWaalsContact NE2-O 3.09Å; T223-P243 WeakPolarHBondContact O-CD 3.35Å; T223-P373 HydrophobicContact CG2-CG 4.34Å
224F91.7Very high94Very high11 Ų1131.4 Ų31.45%0.04816%0.161CC..  trans-150.8157.7176.730.9-93.2000110R221 F241 M242 F259 Y263 F264R221-F224 CarbonylContact C-O 3.32Å; R221-F224 VanDerWaalsContact C-O 3.32Å; R221-F224 VanDerWaalsContact CA-O 3.27Å; R221-F224 WeakPolarHBondContact CA-O 3.42Å; R221-F224 HydrophobicContact CB-CD2 3.32Å; R221-F224 HydrophobicContact CB-CE2 3.37Å; R221-F224 HydrophobicContact CB-CG 4.26Å; R221-F224 HydrophobicContact CB-CZ 4.35Å; R221-F224 WeakPolarHBondContact CB-O 3.18Å; R221-F224 HydrophobicContact CG-CD2 3.53Å; R221-F224 HydrophobicContact CG-CE2 3.57Å; R221-F224 PolarHBondContact N-O 3.36Å; F224-F241 CarbonylContact C-O 3.55Å; F224-F241 VanDerWaalsContact CA-O 3.23Å; F224-F241 WeakPolarHBondContact CA-O 3.4Å; F224-F241 WeakPolarHBondContact CB-O 3.29Å; F224-M242 HydrophobicContact CB-CB 4.01Å; F224-M242 HydrophobicContact CB-CG 3.99Å; F224-M242 HydrophobicContact CB-SD 4.47Å; F224-M242 HydrophobicContact CD1-CG 4.36Å; F224-M242 HydrophobicContact CD1-SD 4.41Å; F224-F259 HydrophobicContact CD1-CZ 4.33Å; F224-F259 HydrophobicContact CD2-CZ 4.24Å; F224-F259 HydrophobicContact CE1-CE2 4.36Å; F224-F259 HydrophobicContact CE2-CZ 4.45Å; F224-F259 HydrophobicContact CG-CZ 4.21Å; F224-F259 HydrophobicContact CZ-CE2 4.48Å; F224-Y263 HydrophobicContact CE1-CE2 4.36Å; F224-Y263 AromaticContact CE2-CD1 3.56Å; F224-Y263 HydrophobicContact CE2-CD1 3.56Å; F224-Y263 AromaticContact CE2-CD2 3.85Å; F224-Y263 HydrophobicContact CE2-CD2 3.85Å; F224-Y263 HydrophobicContact CE2-CE1 4.1Å; F224-Y263 HydrophobicContact CE2-CE2 4.32Å; F224-Y263 AromaticContact CE2-CG 3.41Å; F224-Y263 HydrophobicContact CE2-CG 3.41Å; F224-Y263 VanDerWaalsContact CE2-CG 3.41Å; F224-Y263 AromaticContact CZ-CD1 3.54Å; F224-Y263 HydrophobicContact CZ-CD1 3.54Å; F224-Y263 AromaticContact CZ-CD2 3.72Å; F224-Y263 HydrophobicContact CZ-CD2 3.72Å; F224-Y263 AromaticContact CZ-CE1 3.56Å; F224-Y263 HydrophobicContact CZ-CE1 3.56Å; F224-Y263 AromaticContact CZ-CE2 3.72Å; F224-Y263 HydrophobicContact CZ-CE2 3.72Å; F224-Y263 AromaticContact CZ-CG 3.61Å; F224-Y263 HydrophobicContact CZ-CG 3.61Å; F224-Y263 AromaticContact CZ-CZ 3.63Å; F224-F264 HydrophobicContact CD2-CE2 4.02Å; F224-F264 AromaticContact CD2-CZ 3.7Å; F224-F264 HydrophobicContact CD2-CZ 3.7Å; F224-F264 HydrophobicContact CE2-CZ 4.45Å
225M93.9Very high93.9Very high21 Ų2129.2 Ų29.210%0.10315%0.149CC..EExtended strand (participates in β ladder)trans-148.1141.7-178.6173-178.8-8000108.4I218 W219 P220 I227 F241 V370 F371I218-M225 HydrophobicContact CG2-CE 3.99Å; I218-M225 HydrophobicContact CG2-CG 4.29Å; I218-M225 HydrophobicContact CG2-SD 4.17Å; W219-M225 WeakPolarHBondContact O-CA 3.43Å; P220-M225 HydrophobicContact CB-CE 4.16Å; M225-I227 HydrophobicContact CG-CG2 4.19Å; M225-I227 HydrophobicContact SD-CG2 4.01Å; M225-F241 PolarHBondContact N-O 2.77Å; M225-F241 PolarHBondContact O-N 3.23Å; M225-V370 HydrophobicContact CE-CB 4.28Å; M225-V370 HydrophobicContact CE-CG1 3.2Å; M225-V370 HydrophobicContact CE-CG2 4.03Å; M225-V370 HydrophobicContact SD-CG1 4.14Å; M225-F371 HydrophobicContact CB-CE1 3.7Å; M225-F371 HydrophobicContact CB-CZ 3.81Å
226M95.9Very high93.9Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-118138.2164.9-170.2175.262.400109.2I218 W219 C238 T239 L240 F260 F264 A267I218-M226 CarbonylContact C-O 3.55Å; I218-M226 WeakPolarHBondContact CA-O 3.23Å; W219-M226 HydrophobicContact CB-CB 4.18Å; W219-M226 HydrophobicContact CD2-CE 3.67Å; W219-M226 HydrophobicContact CE3-CB 4.42Å; W219-M226 HydrophobicContact CE3-CE 3.74Å; W219-M226 HydrophobicContact CG-CE 4.08Å; W219-M226 HydrophobicContact CH2-CE 4.49Å; W219-M226 HydrophobicContact CZ2-CE 4.41Å; W219-M226 HydrophobicContact CZ3-CE 4.15Å; W219-M226 PolarHBondContact N-O 3.05Å; W219-M226 PolarHBondContact O-N 3.02Å; W219-M226 VanDerWaalsContact O-N 3.13Å; M226-C238 HydrophobicContact CG-CB 4.3Å; M226-C238 HydrophobicContact SD-CB 4.1Å; M226-T239 WeakPolarHBondContact CA-O 3.28Å; M226-L240 HydrophobicContact CB-CD1 4.26Å; M226-F260 HydrophobicContact SD-CE1 4.12Å; M226-F264 HydrophobicContact CB-CD1 4.41Å; M226-F264 HydrophobicContact CB-CE1 4Å; M226-F264 HydrophobicContact CB-CZ 4.42Å; M226-F264 HydrophobicContact CE-CD1 4.37Å; M226-A267 HydrophobicContact CE-CB 3.7Å
227I95.4Very high93.8Very high29 Ų2926.3 Ų26.315%0.14914%0.139CC..EExtended strand (participates in β ladder)trans-117.8154.7167.965.9178000109.6L216 H217 I218 M225 L229 C238 T239 F241L216-I227 HydrophobicContact CD1-CB 4.48Å; H217-I227 CarbonylContact O-C 3.54Å; H217-I227 WeakPolarHBondContact O-CA 3.4Å; I218-I227 HydrophobicContact CG1-CG2 4.25Å; I218-I227 HydrophobicContact CG2-CG2 4.23Å; M225-I227 HydrophobicContact CG-CG2 4.19Å; M225-I227 HydrophobicContact SD-CG2 4.01Å; I227-L229 HydrophobicContact CD1-CD1 3.87Å; I227-L229 HydrophobicContact CG1-CD1 4.1Å; I227-C238 CarbonylContact O-C 3.51Å; I227-C238 WeakPolarHBondContact O-CA 3.1Å; I227-T239 PolarHBondContact N-O 2.81Å; I227-T239 PolarHBondContact O-N 3.31Å; I227-F241 HydrophobicContact CD1-CE2 3.88Å; I227-F241 HydrophobicContact CD1-CZ 4.35Å; I227-F241 HydrophobicContact CG1-CE2 3.97Å
228A96.5Very high93.7Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-135.8132.2171.500000111.3M211 H217 W219 F236 T237 C238M211-A228 HydrophobicContact CE-CB 4.35Å; H217-A228 HydrophobicContact CB-CB 4.07Å; H217-A228 PolarHBondContact N-O 3.15Å; H217-A228 VanDerWaalsContact N-O 3.16Å; H217-A228 PolarHBondContact O-N 2.93Å; W219-A228 HydrophobicContact CH2-CB 4.37Å; W219-A228 HydrophobicContact CZ3-CB 3.88Å; A228-F236 HydrophobicContact CB-CB 4.14Å; A228-F236 HydrophobicContact CB-CD1 4.31Å; A228-T237 WeakPolarHBondContact CA-O 3.23Å; A228-C238 HydrophobicContact CB-CB 4.4Å; A228-C238 VanDerWaalsContact CB-SG 3.58Å
229L95.8Very high93.7Very high5 Ų525.6 Ų25.63%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-116.9135.1-179.7-79.185.7000110N58 M85 L216 I227 F236 T237N58-L229 HydrophobicContact CB-CB 3.73Å; N58-L229 HydrophobicContact CB-CD2 3.9Å; N58-L229 HydrophobicContact CB-CG 4.36Å; N58-L229 PolarHBondContact ND2-O 2.94Å; M85-L229 HydrophobicContact CE-CD2 4Å; M85-L229 HydrophobicContact CE-CG 4.37Å; M85-L229 HydrophobicContact SD-CG 4.29Å; L216-L229 HydrophobicContact CD1-CD1 3.55Å; L216-L229 HydrophobicContact CD1-CG 3.8Å; I227-L229 HydrophobicContact CD1-CD1 3.87Å; I227-L229 HydrophobicContact CG1-CD1 4.1Å; L229-F236 VanDerWaalsContact O-CA 3.29Å; L229-F236 WeakPolarHBondContact O-CA 3.1Å; L229-T237 PolarHBondContact N-O 2.89Å; L229-T237 PolarHBondContact O-N 3.1Å
230P96.2Very high93.7Very high2 Ų225.6 Ų25.61%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-73.4148-176.234.4-41.7000112.6I83 M85 S111 F209 P213 F236I83-P230 HydrophobicContact CB-CB 4.37Å; I83-P230 HydrophobicContact CB-CG 3.84Å; I83-P230 HydrophobicContact CD1-CB 3.8Å; I83-P230 HydrophobicContact CD1-CG 4.19Å; I83-P230 HydrophobicContact CG2-CB 4.09Å; I83-P230 HydrophobicContact CG2-CG 3.64Å; M85-P230 HydrophobicContact CG-CG 4.34Å; M85-P230 HydrophobicContact SD-CG 4.48Å; S111-P230 PolarHBondContact OG-O 3.26Å; S111-P230 VanDerWaalsContact OG-O 3.09Å; F209-P230 HydrophobicContact CE1-CB 4.03Å; P213-P230 HydrophobicContact CB-CB 4.37Å; P213-P230 VanDerWaalsContact O-CG 3.25Å; P213-P230 WeakPolarHBondContact O-CG 3.22Å; P230-F236 HydrophobicContact CB-CD1 4Å; P230-F236 HydrophobicContact CB-CE1 3.73Å; P230-F236 HydrophobicContact CB-CZ 4.32Å
231N94Very high93.9Very high21 Ų2125 Ų2511%0.11213%0.131CC..  trans-115.3156.6173.7-68.5-52.5000111.8N58 I83 F209 D233 K234 T235 T237N58-N231 PolarHBondContact ND2-OD1 3.02Å; N58-N231 PolarHBondContact OD1-OD1 2.88Å; I83-N231 VanDerWaalsContact CD1-O 3.27Å; I83-N231 WeakPolarHBondContact CD1-O 3.19Å; F209-N231 VanDerWaalsContact CE1-O 3.26Å; F209-N231 WeakPolarHBondContact CE1-O 3.25Å; F209-N231 WeakPolarHBondContact CZ-O 3.46Å; N231-D233 WeakPolarHBondContact CB-OD1 3.49Å; N231-D233 PolarHBondContact O-N 3Å; N231-K234 WeakPolarHBondContact O-CA 3.49Å; N231-K234 PolarHBondContact O-N 3.35Å; N231-T235 WeakPolarHBondContact CB-O 3.39Å; N231-T235 VanDerWaalsContact CB-OG1 3.3Å; N231-T235 WeakPolarHBondContact CB-OG1 3.34Å; N231-T235 PolarHBondContact N-O 3.41Å; N231-T235 PolarHBondContact ND2-OG1 2.89Å; N231-T237 PolarHBondContact ND2-N 3.18Å; N231-T237 PolarHBondContact ND2-OG1 2.76Å
232L91.8Very high94.1Very high110 Ų11024.2 Ų24.258%0.57613%0.128SC*.THydrogen-bonded Turntrans-62.3-29.5177.6-69.9179.2000113.4K81 I83 K234K81-L232 HydrophobicContact CB-CD1 4.24Å; K81-L232 WeakPolarHBondContact O-CD1 3.23Å; I83-L232 HydrophobicContact CD1-CD2 4.34Å; I83-L232 HydrophobicContact CG1-CD2 4.02Å; L232-K234 PolarHBondContact O-N 3.3Å
233D92.6Very high94.7Very high103 Ų10322.4 Ų22.455%0.55112%0.119SC*.THydrogen-bonded Turntrans-78.211.4175.373.2-12.7000113.3N231 T235N231-D233 WeakPolarHBondContact CB-OD1 3.49Å; N231-D233 PolarHBondContact O-N 3Å; D233-T235 PolarHBondContact O-N 3.04Å; D233-T235 WeakPolarHBondContact OD1-CB 3.32Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.17Å; D233-T235 PolarHBondContact OD1-N 2.79Å; D233-T235 VanDerWaalsContact OD1-N 3.08Å; D233-T235 PolarHBondContact OD1-OG1 2.91Å; D233-T235 WeakPolarHBondContact OD2-CG2 3.26Å
234K95.6Very high95Very high62 Ų6223 Ų2327%0.2712%0.118SC..SBendtrans6810.2179.8-47.4-176.1-175.2-178.30115.5P204 G207 E208 F209 N231 L232P204-K234 HydrophobicContact CB-CB 4.28Å; P204-K234 HydrophobicContact CG-CB 4.07Å; G207-K234 WeakPolarHBondContact O-CD 3.47Å; G207-K234 WeakPolarHBondContact O-CE 3.35Å; G207-K234 PolarHBondContact O-NZ 3.22Å; E208-K234 IonicContact OE1-NZ 3.27Å; E208-K234 PolarHBondContact OE1-NZ 3.18Å; E208-K234 IonicContact OE2-NZ 3.97Å; E208-K234 PolarHBondContact OE2-NZ 2.92Å; F209-K234 HydrophobicContact CD1-CB 4.03Å; F209-K234 WeakPolarHBondContact CD1-O 3.34Å; F209-K234 HydrophobicContact CD2-CB 4.07Å; F209-K234 HydrophobicContact CD2-CD 4.3Å; F209-K234 HydrophobicContact CD2-CG 4Å; F209-K234 VanDerWaalsContact CE1-CA 3.42Å; F209-K234 HydrophobicContact CE1-CB 4.1Å; F209-K234 HydrophobicContact CE1-CG 4.48Å; F209-K234 HydrophobicContact CE2-CB 4.1Å; F209-K234 HydrophobicContact CE2-CD 4.34Å; F209-K234 HydrophobicContact CE2-CG 3.72Å; F209-K234 HydrophobicContact CG-CB 4.03Å; F209-K234 HydrophobicContact CG-CG 4.48Å; F209-K234 HydrophobicContact CZ-CB 4.11Å; F209-K234 HydrophobicContact CZ-CG 3.98Å; N231-K234 WeakPolarHBondContact O-CA 3.49Å; N231-K234 PolarHBondContact O-N 3.35Å; L232-K234 PolarHBondContact O-N 3.3Å
235T95.2Very high95.2Very high14 Ų1429.1 Ų29.19%0.08615%0.146CC..  trans-77.2166.9166.565.60000110.6T201 M202 P204 N231 D233T201-T235 HydrophobicContact CG2-CG2 4.46Å; M202-T235 CarbonylContact O-C 3.46Å; M202-T235 WeakPolarHBondContact O-CA 3.22Å; M202-T235 VanDerWaalsContact O-CB 3.28Å; M202-T235 WeakPolarHBondContact O-CB 3.38Å; P204-T235 HydrophobicContact CG-CG2 4.3Å; N231-T235 WeakPolarHBondContact CB-O 3.39Å; N231-T235 VanDerWaalsContact CB-OG1 3.3Å; N231-T235 WeakPolarHBondContact CB-OG1 3.34Å; N231-T235 PolarHBondContact N-O 3.41Å; N231-T235 PolarHBondContact ND2-OG1 2.89Å; D233-T235 PolarHBondContact O-N 3.04Å; D233-T235 WeakPolarHBondContact OD1-CB 3.32Å; D233-T235 WeakPolarHBondContact OD1-CG2 3.17Å; D233-T235 PolarHBondContact OD1-N 2.79Å; D233-T235 VanDerWaalsContact OD1-N 3.08Å; D233-T235 PolarHBondContact OD1-OG1 2.91Å; D233-T235 WeakPolarHBondContact OD2-CG2 3.26Å
236F95.8Very high95.3Very high1 Ų130.6 Ų30.60%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-117.6137.5157.4-64.4-108.2000109.5M202 F209 M211 H217 A228 L229 P230M202-F236 HydrophobicContact CB-CB 4.04Å; M202-F236 PolarHBondContact N-O 2.97Å; M202-F236 PolarHBondContact O-N 2.74Å; M202-F236 HydrophobicContact SD-CD2 4.06Å; F209-F236 HydrophobicContact CB-CE2 4.07Å; F209-F236 HydrophobicContact CD1-CD2 4.35Å; F209-F236 AromaticContact CD1-CE2 3.64Å; F209-F236 HydrophobicContact CD1-CE2 3.64Å; F209-F236 AromaticContact CD1-CZ 3.94Å; F209-F236 HydrophobicContact CD1-CZ 3.94Å; F209-F236 HydrophobicContact CG-CE2 4.34Å; M211-F236 HydrophobicContact CB-CE2 4.12Å; M211-F236 HydrophobicContact CB-CZ 3.99Å; M211-F236 HydrophobicContact CE-CD1 4.07Å; M211-F236 HydrophobicContact CE-CD2 4.2Å; M211-F236 HydrophobicContact CE-CE1 4.12Å; M211-F236 HydrophobicContact CE-CE2 4.24Å; M211-F236 HydrophobicContact CE-CG 4.13Å; M211-F236 HydrophobicContact CE-CZ 4.2Å; H217-F236 AromaticContact CD2-CE1 3.74Å; H217-F236 AromaticContact NE2-CE1 3.96Å; A228-F236 HydrophobicContact CB-CB 4.14Å; A228-F236 HydrophobicContact CB-CD1 4.31Å; L229-F236 VanDerWaalsContact O-CA 3.29Å; L229-F236 WeakPolarHBondContact O-CA 3.1Å; P230-F236 HydrophobicContact CB-CD1 4Å; P230-F236 HydrophobicContact CB-CE1 3.73Å; P230-F236 HydrophobicContact CB-CZ 4.32Å
237T94.3Very high95.3Very high18 Ų1831.4 Ų31.411%0.1116%0.157CC..EExtended strand (participates in β ladder)trans-87.1113.6165.8-56.10000107.6N58 E199 A228 L229 N231N58-T237 WeakPolarHBondContact ND2-CB 3.45Å; N58-T237 PolarHBondContact ND2-OG1 3.27Å; E199-T237 HydrophobicContact CG-CG2 4.5Å; A228-T237 WeakPolarHBondContact CA-O 3.23Å; L229-T237 PolarHBondContact N-O 2.89Å; L229-T237 PolarHBondContact O-N 3.1Å; N231-T237 PolarHBondContact ND2-N 3.18Å; N231-T237 PolarHBondContact ND2-OG1 2.76Å
238C95.3Very high95.3Very high0 Ų037 Ų370%018%0.182CC..EExtended strand (participates in β ladder)trans-92.3138.2174.4-59.40000109.6E199 L200 M226 I227 A228E199-C238 CarbonylContact C-O 3.53Å; E199-C238 WeakPolarHBondContact CA-O 3.39Å; L200-C238 HydrophobicContact CB-CB 4.06Å; L200-C238 PolarHBondContact N-O 3.36Å; L200-C238 PolarHBondContact O-N 3.41Å; M226-C238 HydrophobicContact CG-CB 4.3Å; M226-C238 HydrophobicContact SD-CB 4.1Å; I227-C238 CarbonylContact O-C 3.51Å; I227-C238 WeakPolarHBondContact O-CA 3.1Å; A228-C238 HydrophobicContact CB-CB 4.4Å; A228-C238 VanDerWaalsContact CB-SG 3.58Å
239T95.2Very high95.3Very high1 Ų143 Ų431%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-121.6114.4172.7-52.70000109I57 Y197 M198 M226 I227 F241I57-T239 HydrophobicContact CD1-CG2 4.39Å; Y197-T239 HydrophobicContact CD2-CG2 4Å; Y197-T239 HydrophobicContact CG-CG2 4.29Å; M198-T239 WeakPolarHBondContact O-CA 3.49Å; M226-T239 WeakPolarHBondContact CA-O 3.28Å; I227-T239 PolarHBondContact N-O 2.81Å; I227-T239 PolarHBondContact O-N 3.31Å; T239-F241 HydrophobicContact CG2-CD1 4.45Å; T239-F241 HydrophobicContact CG2-CD2 4.43Å; T239-F241 HydrophobicContact CG2-CE1 3.81Å; T239-F241 HydrophobicContact CG2-CE2 3.79Å; T239-F241 HydrophobicContact CG2-CZ 3.44Å; T239-F241 VanDerWaalsContact CG2-CZ 3.44Å
240L95.9Very high95.3Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-90.7123.5174.417664.5000109Y197 M198 M226 F247 F260 F264 Y280Y197-L240 CarbonylContact C-O 3.59Å; Y197-L240 WeakPolarHBondContact CA-O 3.19Å; M198-L240 PolarHBondContact N-O 2.82Å; M198-L240 PolarHBondContact O-N 3.09Å; M226-L240 HydrophobicContact CB-CD1 4.26Å; L240-F247 HydrophobicContact CD2-CE1 4.13Å; L240-F247 HydrophobicContact CD2-CZ 4.33Å; L240-F247 HydrophobicContact CG-CZ 4.34Å; L240-F260 HydrophobicContact CD2-CE2 4.29Å; L240-F260 HydrophobicContact CD2-CZ 4.21Å; L240-F264 HydrophobicContact CD1-CE2 4Å; L240-F264 HydrophobicContact CD1-CZ 3.95Å; L240-Y280 HydrophobicContact CD2-CE2 4.2Å
241F95.8Very high95.4Very high4 Ų447.4 Ų47.42%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-107.5126.1172.6-58.2-78.8000109.4G196 Y197 F224 M225 I227 T239 M288 P314 F315 F371G196-F241 WeakPolarHBondContact O-CA 3.44Å; Y197-F241 HydrophobicContact CG-CE1 4.4Å; F224-F241 CarbonylContact C-O 3.55Å; F224-F241 VanDerWaalsContact CA-O 3.23Å; F224-F241 WeakPolarHBondContact CA-O 3.4Å; F224-F241 WeakPolarHBondContact CB-O 3.29Å; M225-F241 PolarHBondContact N-O 2.77Å; M225-F241 PolarHBondContact O-N 3.23Å; I227-F241 HydrophobicContact CD1-CE2 3.88Å; I227-F241 HydrophobicContact CD1-CZ 4.35Å; I227-F241 HydrophobicContact CG1-CE2 3.97Å; T239-F241 HydrophobicContact CG2-CD1 4.45Å; T239-F241 HydrophobicContact CG2-CD2 4.43Å; T239-F241 HydrophobicContact CG2-CE1 3.81Å; T239-F241 HydrophobicContact CG2-CE2 3.79Å; T239-F241 HydrophobicContact CG2-CZ 3.44Å; T239-F241 VanDerWaalsContact CG2-CZ 3.44Å; F241-M288 HydrophobicContact CD1-CE 3.8Å; F241-M288 HydrophobicContact CD1-SD 3.9Å; F241-M288 HydrophobicContact CE1-CE 4.32Å; F241-M288 HydrophobicContact CE1-SD 3.79Å; F241-P314 HydrophobicContact CE1-CG 3.78Å; F241-P314 HydrophobicContact CZ-CG 4.15Å; F241-F315 HydrophobicContact CB-CE1 4.34Å; F241-F315 AromaticContact CD1-CE1 3.94Å; F241-F315 HydrophobicContact CD1-CE1 3.94Å; F241-F315 HydrophobicContact CD1-CZ 4.13Å; F241-F315 HydrophobicContact CD2-CE1 4.38Å; F241-F315 HydrophobicContact CE1-CE1 4.32Å; F241-F315 AromaticContact CG-CE1 3.96Å; F241-F315 HydrophobicContact CG-CE1 3.96Å; F241-F371 HydrophobicContact CB-CZ 4Å
242M96Very high95.5Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-159.6151-176.7-176.1171.46600109.9H195 G196 F224 E246 F247 I250 F259H195-M242 CarbonylContact C-O 3.02Å; H195-M242 WeakPolarHBondContact CA-O 3.44Å; H195-M242 VanDerWaalsContact CD2-C 3.48Å; G196-M242 PolarHBondContact N-O 2.9Å; G196-M242 PolarHBondContact O-N 2.86Å; F224-M242 HydrophobicContact CB-CB 4.01Å; F224-M242 HydrophobicContact CB-CG 3.99Å; F224-M242 HydrophobicContact CB-SD 4.47Å; F224-M242 HydrophobicContact CD1-CG 4.36Å; F224-M242 HydrophobicContact CD1-SD 4.41Å; M242-E246 HydrophobicContact CE-CB 3.95Å; M242-E246 HydrophobicContact CG-CB 3.52Å; M242-E246 HydrophobicContact CG-CG 4.24Å; M242-E246 HydrophobicContact SD-CB 3.5Å; M242-E246 WeakPolarHBondContact SD-CB 3.44Å; M242-E246 HydrophobicContact SD-CG 4.44Å; M242-F247 HydrophobicContact CB-CD2 4.14Å; M242-F247 HydrophobicContact CB-CE2 3.68Å; M242-F247 HydrophobicContact CB-CZ 4Å; M242-F247 HydrophobicContact CE-CB 4.16Å; M242-F247 HydrophobicContact CE-CD1 3.5Å; M242-F247 VanDerWaalsContact CE-CD1 3.5Å; M242-F247 HydrophobicContact CE-CD2 3.93Å; M242-F247 HydrophobicContact CE-CE1 3.76Å; M242-F247 HydrophobicContact CE-CE2 4.2Å; M242-F247 HydrophobicContact CE-CG 3.57Å; M242-F247 HydrophobicContact CE-CZ 4.11Å; M242-F247 VanDerWaalsContact O-CE2 3.29Å; M242-F247 WeakPolarHBondContact O-CE2 3.47Å; M242-I250 HydrophobicContact CE-CD1 4.37Å; M242-F259 HydrophobicContact CE-CZ 4.46Å; M242-F259 HydrophobicContact SD-CE1 4.1Å; M242-F259 HydrophobicContact SD-CE2 3.78Å; M242-F259 HydrophobicContact SD-CZ 3.35Å; M242-F259 WeakPolarHBondContact SD-CZ 3.43Å
243P96.4Very high95.8Very high22 Ų2245 Ų4514%0.14323%0.233CC..EExtended strand (participates in β ladder)trans-55.1143.2173.5-2735.6000111.4P194 H195 T223 E245 E246 F247P194-P243 WeakPolarHBondContact O-CA 3.34Å; H195-P243 WeakPolarHBondContact NE2-CD 3.32Å; T223-P243 WeakPolarHBondContact O-CD 3.35Å; P243-E245 PolarHBondContact O-N 2.76Å; P243-E246 HydrophobicContact CB-CG 4.34Å; P243-E246 HydrophobicContact CG-CG 4.41Å; P243-E246 PolarHBondContact O-N 3.02Å; P243-F247 PolarHBondContact O-N 3.35Å; P243-F247 VanDerWaalsContact O-N 3.17Å
244F96.4Very high96Very high58 Ų5844.6 Ų44.625%0.25423%0.23SC..Hα-helixtrans-54.9-40175.6-83.8-78.9000112.4P194 E246 F247 E248 A285 A287P194-F244 WeakPolarHBondContact O-CD2 3.38Å; P194-F244 PolarHBondContact O-N 3.01Å; F244-E246 PolarHBondContact O-N 3.32Å; F244-F247 WeakPolarHBondContact O-CA 3.28Å; F244-F247 WeakPolarHBondContact O-CB 3.45Å; F244-F247 PolarHBondContact O-N 3.07Å; F244-E248 WeakPolarHBondContact O-CG 3.37Å; F244-E248 PolarHBondContact O-N 3.17Å; F244-A285 HydrophobicContact CD1-CB 4.31Å; F244-A285 HydrophobicContact CE1-CB 3.86Å; F244-A287 HydrophobicContact CE2-CB 4.29Å; F244-A287 HydrophobicContact CZ-CB 4.01Å
245E95.8Very high96.1Very high140 Ų14044.7 Ų44.765%0.65423%0.232SC*.Hα-helixtrans-57.3-33.7176.8-63176-165.900113.2P243 K249P243-E245 PolarHBondContact O-N 2.76Å; E245-K249 VanDerWaalsContact O-CG 3.31Å; E245-K249 WeakPolarHBondContact O-CG 3.36Å; E245-K249 PolarHBondContact O-N 3.27Å
246E95.8Very high96.3Very high52 Ų5244 Ų4424%0.24323%0.228CC..Hα-helixtrans-80.5-31.4176.6-66.8-63.6136.100111.7M242 P243 F244 E248 K249M242-E246 HydrophobicContact CE-CB 3.95Å; M242-E246 HydrophobicContact CG-CB 3.52Å; M242-E246 HydrophobicContact CG-CG 4.24Å; M242-E246 HydrophobicContact SD-CB 3.5Å; M242-E246 WeakPolarHBondContact SD-CB 3.44Å; M242-E246 HydrophobicContact SD-CG 4.44Å; P243-E246 HydrophobicContact CB-CG 4.34Å; P243-E246 HydrophobicContact CG-CG 4.41Å; P243-E246 PolarHBondContact O-N 3.02Å; F244-E246 PolarHBondContact O-N 3.32Å; E246-E248 VanDerWaalsContact C-N 3.3Å; E246-K249 PolarHBondContact O-N 2.84Å; E246-K249 IonicContact OE1-NZ 3.41Å; E246-K249 PolarHBondContact OE1-NZ 2.77Å
247F96.1Very high96.4Very high17 Ų1744.6 Ų44.68%0.07523%0.231CC..Hα-helixtrans-62.6-41.8170.6-82.7-69.9000110.7M198 L240 M242 P243 F244 K249 I250 Y280 A285M198-F247 HydrophobicContact CB-CE1 3.98Å; M198-F247 HydrophobicContact CB-CZ 4.03Å; M198-F247 HydrophobicContact CE-CD1 3.94Å; M198-F247 HydrophobicContact CE-CE1 3.69Å; M198-F247 HydrophobicContact SD-CE1 4.21Å; L240-F247 HydrophobicContact CD2-CE1 4.13Å; L240-F247 HydrophobicContact CD2-CZ 4.33Å; L240-F247 HydrophobicContact CG-CZ 4.34Å; M242-F247 HydrophobicContact CB-CD2 4.14Å; M242-F247 HydrophobicContact CB-CE2 3.68Å; M242-F247 HydrophobicContact CB-CZ 4Å; M242-F247 HydrophobicContact CE-CB 4.16Å; M242-F247 HydrophobicContact CE-CD1 3.5Å; M242-F247 VanDerWaalsContact CE-CD1 3.5Å; M242-F247 HydrophobicContact CE-CD2 3.93Å; M242-F247 HydrophobicContact CE-CE1 3.76Å; M242-F247 HydrophobicContact CE-CE2 4.2Å; M242-F247 HydrophobicContact CE-CG 3.57Å; M242-F247 HydrophobicContact CE-CZ 4.11Å; M242-F247 VanDerWaalsContact O-CE2 3.29Å; M242-F247 WeakPolarHBondContact O-CE2 3.47Å; P243-F247 PolarHBondContact O-N 3.35Å; P243-F247 VanDerWaalsContact O-N 3.17Å; F244-F247 WeakPolarHBondContact O-CA 3.28Å; F244-F247 WeakPolarHBondContact O-CB 3.45Å; F244-F247 PolarHBondContact O-N 3.07Å; F247-K249 VanDerWaalsContact C-N 3.3Å; F247-K249 PolarHBondContact O-N 3.34Å; F247-I250 PolarHBondContact O-N 3.22Å; F247-Y280 HydrophobicContact CD1-CE2 4.32Å; F247-Y280 AromaticContact CD1-CZ 3.87Å; F247-Y280 VanDerWaalsContact CD1-OH 3.25Å; F247-Y280 WeakPolarHBondContact CD1-OH 3.27Å; F247-Y280 HydrophobicContact CE1-CE2 4.19Å; F247-A285 HydrophobicContact CB-CB 4.38Å; F247-A285 HydrophobicContact CD1-CB 3.96Å; F247-A285 HydrophobicContact CD2-CB 3.53Å; F247-A285 HydrophobicContact CE1-CB 4.09Å; F247-A285 HydrophobicContact CE2-CB 3.62Å; F247-A285 HydrophobicContact CG-CB 3.71Å; F247-A285 HydrophobicContact CZ-CB 3.92Å
248E94.8Very high96.5Very high147 Ų14749.5 Ų49.569%0.68725%0.252SS*.Hα-helixtrans-68.2-25.3-178.7-71.1166.3-169.900113.5F244 E246 I250F244-E248 WeakPolarHBondContact O-CG 3.37Å; F244-E248 PolarHBondContact O-N 3.17Å; E246-E248 VanDerWaalsContact C-N 3.3Å; E248-I250 VanDerWaalsContact C-N 3.29Å; E248-I250 PolarHBondContact O-N 2.97Å
249K96.4Very high96.6Very high127 Ų12750.4 Ų50.455%0.55226%0.256SS*.THydrogen-bonded Turntrans-72.2-19.9174.3-73169.2-166.1174.90113.5E245 E246 F247E245-K249 VanDerWaalsContact O-CG 3.31Å; E245-K249 WeakPolarHBondContact O-CG 3.36Å; E245-K249 PolarHBondContact O-N 3.27Å; E246-K249 PolarHBondContact O-N 2.84Å; E246-K249 IonicContact OE1-NZ 3.41Å; E246-K249 PolarHBondContact OE1-NZ 2.77Å; F247-K249 VanDerWaalsContact C-N 3.3Å; F247-K249 PolarHBondContact O-N 3.34Å
250I96.8Very high96.8Very high17 Ų1750.3 Ų50.39%0.08726%0.256CS..  trans-102.3103.4-176.9-60.4174.6000108.5M242 F247 E248 E255 V256 F259 Y280 F281M242-I250 HydrophobicContact CE-CD1 4.37Å; F247-I250 PolarHBondContact O-N 3.22Å; E248-I250 VanDerWaalsContact C-N 3.29Å; E248-I250 PolarHBondContact O-N 2.97Å; I250-E255 HydrophobicContact CG2-CB 4.02Å; I250-V256 HydrophobicContact CG2-CB 4.28Å; I250-V256 HydrophobicContact CG2-CG2 3.42Å; I250-V256 VanDerWaalsContact CG2-CG2 3.42Å; I250-F259 HydrophobicContact CD1-CB 3.77Å; I250-F259 HydrophobicContact CD1-CD1 4.02Å; I250-F259 HydrophobicContact CD1-CD2 3.75Å; I250-F259 HydrophobicContact CD1-CE2 4.36Å; I250-F259 HydrophobicContact CD1-CG 3.57Å; I250-Y280 HydrophobicContact CB-CE1 4.19Å; I250-Y280 WeakPolarHBondContact CD1-OH 3.38Å; I250-Y280 HydrophobicContact CG2-CE1 3.75Å; I250-F281 HydrophobicContact CG2-CZ 4.37Å
251S96.4Very high96.8Very high82 Ų8255.9 Ų55.957%0.57328%0.282SS*.  trans-111.1-19.2-171.870.10000113.7E255S251-E255 WeakPolarHBondContact CA-OE2 3.5Å; S251-E255 PolarHBondContact N-OE2 2.88Å; S251-E255 PolarHBondContact OG-OE2 3.44Å
252T97.5Very high96.8Very high61 Ų6162 Ų6237%0.37431%0.309SS..SBendtrans-125.7159.8-177.5710000112.6D254 E255 V256T252-D254 VanDerWaalsContact C-N 3.25Å; T252-D254 PolarHBondContact O-N 2.95Å; T252-E255 PolarHBondContact N-OE2 2.93Å; T252-E255 PolarHBondContact O-N 3.02Å; T252-E255 VanDerWaalsContact OG1-CG 3.28Å; T252-E255 WeakPolarHBondContact OG1-CG 3.27Å; T252-E255 PolarHBondContact OG1-N 3.34Å; T252-E255 PolarHBondContact OG1-OE2 3.41Å; T252-V256 WeakPolarHBondContact O-CG2 3.44Å; T252-V256 PolarHBondContact O-N 3.04Å; T252-V256 VanDerWaalsContact O-N 3.13Å
253G97Very high96.8Very high19 Ų1964.8 Ų64.820%0.19632%0.319CS..Hα-helixtrans-64.1-28.6175.700000113.7V256 I257 R277G253-V256 PolarHBondContact O-N 2.94Å; G253-I257 WeakPolarHBondContact O-CG1 3.47Å; G253-I257 PolarHBondContact O-N 3.31Å; G253-R277 WeakPolarHBondContact O-CG 3.28Å; G253-R277 VanDerWaalsContact O-CZ 3.29Å; G253-R277 PolarHBondContact O-NH1 2.81Å
254D97.6Very high96.8Very high94 Ų9463.7 Ų63.750%0.50331%0.312SS..Hα-helixtrans-69.9-44.5177-71.3-45.3000110.5T252 V256 I257 E258 R277T252-D254 VanDerWaalsContact C-N 3.25Å; T252-D254 PolarHBondContact O-N 2.95Å; D254-V256 VanDerWaalsContact C-N 3.28Å; D254-V256 PolarHBondContact O-N 3.35Å; D254-I257 WeakPolarHBondContact O-CA 3.5Å; D254-I257 PolarHBondContact O-N 2.9Å; D254-E258 WeakPolarHBondContact O-CG 3.38Å; D254-E258 PolarHBondContact O-N 2.84Å; D254-R277 VanDerWaalsContact CG-NH1 3.31Å; D254-R277 VanDerWaalsContact N-NH1 3.12Å; D254-R277 IonicContact OD1-CZ 2.76Å; D254-R277 IonicContact OD1-NH1 2.65Å; D254-R277 PolarHBondContact OD1-NH1 3.4Å; D254-R277 IonicContact OD1-NH2 3.56Å; D254-R277 PolarHBondContact OD1-NH2 3.48Å; D254-R277 IonicContact OD2-NH1 3.42Å
255E98.2Very high96.8Very high64 Ų6463.3 Ų63.330%0.29932%0.315SS..Hα-helixtrans-59.5-37174-69.7165.8161.600112.1I250 S251 T252 I257 E258 F259I250-E255 HydrophobicContact CG2-CB 4.02Å; S251-E255 WeakPolarHBondContact CA-OE2 3.5Å; S251-E255 PolarHBondContact N-OE2 2.88Å; S251-E255 PolarHBondContact OG-OE2 3.44Å; T252-E255 PolarHBondContact N-OE2 2.93Å; T252-E255 PolarHBondContact O-N 3.02Å; T252-E255 VanDerWaalsContact OG1-CG 3.28Å; T252-E255 WeakPolarHBondContact OG1-CG 3.27Å; T252-E255 PolarHBondContact OG1-N 3.34Å; T252-E255 PolarHBondContact OG1-OE2 3.41Å; E255-I257 VanDerWaalsContact C-N 3.34Å; E255-I257 PolarHBondContact O-N 3.41Å; E255-E258 PolarHBondContact O-N 2.86Å; E255-F259 VanDerWaalsContact O-CB 3.28Å; E255-F259 WeakPolarHBondContact O-CB 3.41Å; E255-F259 PolarHBondContact O-N 2.98Å
256V97.8Very high96.8Very high0 Ų057.9 Ų57.90%029%0.291CS..Hα-helixtrans-59-47.1172173.70000110.6I250 T252 G253 D254 F259 F260 L276 Y280 F281I250-V256 HydrophobicContact CG2-CB 4.28Å; I250-V256 HydrophobicContact CG2-CG2 3.42Å; I250-V256 VanDerWaalsContact CG2-CG2 3.42Å; T252-V256 WeakPolarHBondContact O-CG2 3.44Å; T252-V256 PolarHBondContact O-N 3.04Å; T252-V256 VanDerWaalsContact O-N 3.13Å; G253-V256 PolarHBondContact O-N 2.94Å; D254-V256 VanDerWaalsContact C-N 3.28Å; D254-V256 PolarHBondContact O-N 3.35Å; V256-F259 PolarHBondContact O-N 3.15Å; V256-F260 HydrophobicContact CG1-CD2 4.11Å; V256-F260 HydrophobicContact CG1-CE2 4.33Å; V256-F260 VanDerWaalsContact O-CD2 3.31Å; V256-F260 WeakPolarHBondContact O-CD2 3.32Å; V256-F260 PolarHBondContact O-N 3.44Å; V256-L276 HydrophobicContact CG1-CD1 4.24Å; V256-L276 HydrophobicContact CG1-CD2 4.2Å; V256-L276 HydrophobicContact CG1-CG 3.76Å; V256-Y280 HydrophobicContact CG1-CD2 4.11Å; V256-Y280 HydrophobicContact CG1-CG 4.14Å; V256-Y280 HydrophobicContact CG2-CD1 3.47Å; V256-Y280 VanDerWaalsContact CG2-CD1 3.47Å; V256-Y280 HydrophobicContact CG2-CD2 4.1Å; V256-Y280 HydrophobicContact CG2-CE1 3.87Å; V256-Y280 HydrophobicContact CG2-CE2 4.45Å; V256-Y280 HydrophobicContact CG2-CG 3.6Å; V256-F281 HydrophobicContact CG2-CE2 3.61Å; V256-F281 HydrophobicContact CG2-CZ 3.82Å
257I98.3Very high96.8Very high13 Ų1355.4 Ų55.47%0.06728%0.279CS..Hα-helixtrans-67-43.5-179.6-66-51000111G253 D254 E255 F259 F260 Q261 I268 A273 L276 R277G253-I257 WeakPolarHBondContact O-CG1 3.47Å; G253-I257 PolarHBondContact O-N 3.31Å; D254-I257 WeakPolarHBondContact O-CA 3.5Å; D254-I257 PolarHBondContact O-N 2.9Å; E255-I257 VanDerWaalsContact C-N 3.34Å; E255-I257 PolarHBondContact O-N 3.41Å; I257-F259 VanDerWaalsContact C-N 3.34Å; I257-F259 PolarHBondContact O-N 2.96Å; I257-F260 PolarHBondContact O-N 3.2Å; I257-Q261 HydrophobicContact CG2-CG 4.06Å; I257-Q261 WeakPolarHBondContact O-CB 3.22Å; I257-Q261 VanDerWaalsContact O-CG 3.24Å; I257-Q261 WeakPolarHBondContact O-CG 3.37Å; I257-Q261 PolarHBondContact O-N 2.72Å; I257-I268 HydrophobicContact CG2-CD1 4.34Å; I257-A273 HydrophobicContact CD1-CB 3.88Å; I257-L276 HydrophobicContact CD1-CB 4.47Å; I257-L276 HydrophobicContact CD1-CD2 3.8Å; I257-L276 HydrophobicContact CD1-CG 4.34Å; I257-R277 HydrophobicContact CD1-CG 4.2Å; I257-R277 HydrophobicContact CG1-CG 4.05Å; I257-R277 VanDerWaalsContact CG1-NE 3.28Å; I257-R277 VanDerWaalsContact CG1-NH2 3.31Å
258E98.1Very high96.8Very high121 Ų12155.8 Ų55.857%0.56528%0.282SS*.Hα-helixtrans-59-45176.5-70.9178.6-178.100111.7D254 E255 F260 Q261 K262D254-E258 WeakPolarHBondContact O-CG 3.38Å; D254-E258 PolarHBondContact O-N 2.84Å; E255-E258 PolarHBondContact O-N 2.86Å; E258-F260 PolarHBondContact O-N 3.49Å; E258-Q261 PolarHBondContact O-N 2.81Å; E258-K262 WeakPolarHBondContact O-CB 3.45Å; E258-K262 PolarHBondContact O-N 2.89Å
259F97.4Very high96.9Very high19 Ų1952.5 Ų52.58%0.08327%0.273CS..Hα-helixtrans-59.6-48175.6177.6-95.8000111.7F224 M242 I250 E255 V256 I257 K262 Y263 F264F224-F259 HydrophobicContact CD1-CZ 4.33Å; F224-F259 HydrophobicContact CD2-CZ 4.24Å; F224-F259 HydrophobicContact CE1-CE2 4.36Å; F224-F259 HydrophobicContact CE2-CZ 4.45Å; F224-F259 HydrophobicContact CG-CZ 4.21Å; F224-F259 HydrophobicContact CZ-CE2 4.48Å; M242-F259 HydrophobicContact CE-CZ 4.46Å; M242-F259 HydrophobicContact SD-CE1 4.1Å; M242-F259 HydrophobicContact SD-CE2 3.78Å; M242-F259 HydrophobicContact SD-CZ 3.35Å; M242-F259 WeakPolarHBondContact SD-CZ 3.43Å; I250-F259 HydrophobicContact CD1-CB 3.77Å; I250-F259 HydrophobicContact CD1-CD1 4.02Å; I250-F259 HydrophobicContact CD1-CD2 3.75Å; I250-F259 HydrophobicContact CD1-CE2 4.36Å; I250-F259 HydrophobicContact CD1-CG 3.57Å; E255-F259 VanDerWaalsContact O-CB 3.28Å; E255-F259 WeakPolarHBondContact O-CB 3.41Å; E255-F259 PolarHBondContact O-N 2.98Å; V256-F259 PolarHBondContact O-N 3.15Å; I257-F259 VanDerWaalsContact C-N 3.34Å; I257-F259 PolarHBondContact O-N 2.96Å; F259-K262 PolarHBondContact O-N 2.79Å; F259-Y263 AromaticContact CD2-CD2 3.48Å; F259-Y263 HydrophobicContact CD2-CD2 3.48Å; F259-Y263 VanDerWaalsContact CD2-CD2 3.48Å; F259-Y263 AromaticContact CD2-CE2 3.59Å; F259-Y263 HydrophobicContact CD2-CE2 3.59Å; F259-Y263 HydrophobicContact CE1-CD2 4.45Å; F259-Y263 AromaticContact CE2-CD2 3.37Å; F259-Y263 HydrophobicContact CE2-CD2 3.37Å; F259-Y263 AromaticContact CE2-CE2 3.54Å; F259-Y263 HydrophobicContact CE2-CE2 3.54Å; F259-Y263 HydrophobicContact CG-CD2 4.06Å; F259-Y263 AromaticContact CZ-CD2 3.88Å; F259-Y263 HydrophobicContact CZ-CD2 3.88Å; F259-Y263 HydrophobicContact CZ-CE2 4.44Å; F259-Y263 WeakPolarHBondContact O-CD2 3.38Å; F259-Y263 PolarHBondContact O-N 2.92Å; F259-F264 HydrophobicContact CD1-CE2 4.48Å; F259-F264 HydrophobicContact CE1-CD2 4.04Å; F259-F264 AromaticContact CE1-CE2 3.6Å; F259-F264 HydrophobicContact CE1-CE2 3.6Å; F259-F264 HydrophobicContact CZ-CE2 4.02Å
260F97.4Very high96.9Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-68.8-32.9177.7-88.3-106.9000112.7L200 M226 L240 V256 I257 E258 K262 F264 P265 A267 I268 I271 L276L200-F260 HydrophobicContact CD1-CE1 4.21Å; L200-F260 HydrophobicContact CD1-CZ 3.61Å; M226-F260 HydrophobicContact SD-CE1 4.12Å; L240-F260 HydrophobicContact CD2-CE2 4.29Å; L240-F260 HydrophobicContact CD2-CZ 4.21Å; V256-F260 HydrophobicContact CG1-CD2 4.11Å; V256-F260 HydrophobicContact CG1-CE2 4.33Å; V256-F260 VanDerWaalsContact O-CD2 3.31Å; V256-F260 WeakPolarHBondContact O-CD2 3.32Å; V256-F260 PolarHBondContact O-N 3.44Å; I257-F260 PolarHBondContact O-N 3.2Å; E258-F260 PolarHBondContact O-N 3.49Å; F260-K262 VanDerWaalsContact C-N 3.32Å; F260-F264 HydrophobicContact CD1-CB 3.76Å; F260-F264 HydrophobicContact CD1-CD2 4.18Å; F260-F264 HydrophobicContact CD1-CG 4.33Å; F260-F264 HydrophobicContact CE1-CB 4.26Å; F260-F264 HydrophobicContact CE1-CD2 4.27Å; F260-F264 HydrophobicContact CE1-CG 4.48Å; F260-F264 HydrophobicContact CG-CB 4.39Å; F260-F264 HydrophobicContact CG-CD2 4.38Å; F260-F264 CarbonylContact O-C 3.59Å; F260-F264 WeakPolarHBondContact O-CA 3.14Å; F260-F264 PolarHBondContact O-N 2.99Å; F260-F264 VanDerWaalsContact O-O 3.13Å; F260-P265 VanDerWaalsContact O-N 3.13Å; F260-A267 HydrophobicContact CD1-CB 4.14Å; F260-A267 HydrophobicContact CE1-CB 4.37Å; F260-I268 HydrophobicContact CB-CD1 3.82Å; F260-I268 HydrophobicContact CB-CG1 3.7Å; F260-I271 HydrophobicContact CE1-CD1 4.47Å; F260-L276 HydrophobicContact CB-CD2 3.92Å; F260-L276 HydrophobicContact CD1-CD1 4.3Å; F260-L276 HydrophobicContact CD1-CD2 3.67Å; F260-L276 HydrophobicContact CD2-CD1 4.3Å; F260-L276 HydrophobicContact CD2-CD2 3.89Å; F260-L276 HydrophobicContact CE1-CD1 3.9Å; F260-L276 HydrophobicContact CE1-CD2 4.14Å; F260-L276 HydrophobicContact CE2-CD1 3.91Å; F260-L276 HydrophobicContact CE2-CD2 4.34Å; F260-L276 HydrophobicContact CG-CD1 4.5Å; F260-L276 HydrophobicContact CG-CD2 3.54Å; F260-L276 HydrophobicContact CZ-CD1 3.71Å; F260-L276 HydrophobicContact CZ-CD2 4.46Å
261Q96.6Very high96.9Very high116 Ų11647 Ų4754%0.54225%0.25SS..Hα-helixtrans-64.7-42.7175.2-77.7174.2-11.200110.2I257 E258 I268I257-Q261 HydrophobicContact CG2-CG 4.06Å; I257-Q261 WeakPolarHBondContact O-CB 3.22Å; I257-Q261 VanDerWaalsContact O-CG 3.24Å; I257-Q261 WeakPolarHBondContact O-CG 3.37Å; I257-Q261 PolarHBondContact O-N 2.72Å; E258-Q261 PolarHBondContact O-N 2.81Å; Q261-I268 HydrophobicContact CB-CD1 4.09Å; Q261-I268 HydrophobicContact CG-CD1 3.3Å
262K96.1Very high96.9Very high134 Ų13444.3 Ų44.358%0.58324%0.235SC*.Hα-helixtrans-68.4-43.6-179.8-173.4175.6-179.9-1720112.4L93 E258 F259 F260L93-K262 WeakPolarHBondContact CD1-O 3.47Å; E258-K262 WeakPolarHBondContact O-CB 3.45Å; E258-K262 PolarHBondContact O-N 2.89Å; F259-K262 PolarHBondContact O-N 2.79Å; F260-K262 VanDerWaalsContact C-N 3.32Å
263Y96.2Very high96.8Very high57 Ų5743.3 Ų43.322%0.22423%0.233CC..Hα-helixtrans-111.9-29.7-168.6-59.8-59.3000114.5L93 R221 F224 F259 P265L93-Y263 WeakPolarHBondContact CD1-O 3.35Å; R221-Y263 PolarHBondContact NE-O 3.38Å; R221-Y263 PolarHBondContact NH2-O 2.68Å; F224-Y263 HydrophobicContact CE1-CE2 4.36Å; F224-Y263 AromaticContact CE2-CD1 3.56Å; F224-Y263 HydrophobicContact CE2-CD1 3.56Å; F224-Y263 AromaticContact CE2-CD2 3.85Å; F224-Y263 HydrophobicContact CE2-CD2 3.85Å; F224-Y263 HydrophobicContact CE2-CE1 4.1Å; F224-Y263 HydrophobicContact CE2-CE2 4.32Å; F224-Y263 AromaticContact CE2-CG 3.41Å; F224-Y263 HydrophobicContact CE2-CG 3.41Å; F224-Y263 VanDerWaalsContact CE2-CG 3.41Å; F224-Y263 AromaticContact CZ-CD1 3.54Å; F224-Y263 HydrophobicContact CZ-CD1 3.54Å; F224-Y263 AromaticContact CZ-CD2 3.72Å; F224-Y263 HydrophobicContact CZ-CD2 3.72Å; F224-Y263 AromaticContact CZ-CE1 3.56Å; F224-Y263 HydrophobicContact CZ-CE1 3.56Å; F224-Y263 AromaticContact CZ-CE2 3.72Å; F224-Y263 HydrophobicContact CZ-CE2 3.72Å; F224-Y263 AromaticContact CZ-CG 3.61Å; F224-Y263 HydrophobicContact CZ-CG 3.61Å; F224-Y263 AromaticContact CZ-CZ 3.63Å; F259-Y263 AromaticContact CD2-CD2 3.48Å; F259-Y263 HydrophobicContact CD2-CD2 3.48Å; F259-Y263 VanDerWaalsContact CD2-CD2 3.48Å; F259-Y263 AromaticContact CD2-CE2 3.59Å; F259-Y263 HydrophobicContact CD2-CE2 3.59Å; F259-Y263 HydrophobicContact CE1-CD2 4.45Å; F259-Y263 AromaticContact CE2-CD2 3.37Å; F259-Y263 HydrophobicContact CE2-CD2 3.37Å; F259-Y263 AromaticContact CE2-CE2 3.54Å; F259-Y263 HydrophobicContact CE2-CE2 3.54Å; F259-Y263 HydrophobicContact CG-CD2 4.06Å; F259-Y263 AromaticContact CZ-CD2 3.88Å; F259-Y263 HydrophobicContact CZ-CD2 3.88Å; F259-Y263 HydrophobicContact CZ-CE2 4.44Å; F259-Y263 WeakPolarHBondContact O-CD2 3.38Å; F259-Y263 PolarHBondContact O-N 2.92Å; Y263-P265 VanDerWaalsContact C-CD 3.44Å
264F96.6Very high96.7Very high0 Ų046.2 Ų46.20%026%0.256CS..  trans-131.653.9-176.1-53.5-76.6000111.3W219 R221 F224 M226 L240 F259 F260 D266 A267W219-F264 HydrophobicContact CB-CD1 3.58Å; W219-F264 HydrophobicContact CB-CE1 3.59Å; W219-F264 AromaticContact CD1-CD1 3.86Å; W219-F264 AromaticContact CG-CD1 3.9Å; W219-F264 HydrophobicContact CG-CD1 3.9Å; W219-F264 HydrophobicContact CG-CE1 4.39Å; R221-F264 HydrophobicContact CG-CE1 3.77Å; R221-F264 HydrophobicContact CG-CZ 3.93Å; F224-F264 HydrophobicContact CD2-CE2 4.02Å; F224-F264 AromaticContact CD2-CZ 3.7Å; F224-F264 HydrophobicContact CD2-CZ 3.7Å; F224-F264 HydrophobicContact CE2-CZ 4.45Å; M226-F264 HydrophobicContact CB-CD1 4.41Å; M226-F264 HydrophobicContact CB-CE1 4Å; M226-F264 HydrophobicContact CB-CZ 4.42Å; M226-F264 HydrophobicContact CE-CD1 4.37Å; L240-F264 HydrophobicContact CD1-CE2 4Å; L240-F264 HydrophobicContact CD1-CZ 3.95Å; F259-F264 HydrophobicContact CD1-CE2 4.48Å; F259-F264 HydrophobicContact CE1-CD2 4.04Å; F259-F264 AromaticContact CE1-CE2 3.6Å; F259-F264 HydrophobicContact CE1-CE2 3.6Å; F259-F264 HydrophobicContact CZ-CE2 4.02Å; F260-F264 HydrophobicContact CD1-CB 3.76Å; F260-F264 HydrophobicContact CD1-CD2 4.18Å; F260-F264 HydrophobicContact CD1-CG 4.33Å; F260-F264 HydrophobicContact CE1-CB 4.26Å; F260-F264 HydrophobicContact CE1-CD2 4.27Å; F260-F264 HydrophobicContact CE1-CG 4.48Å; F260-F264 HydrophobicContact CG-CB 4.39Å; F260-F264 HydrophobicContact CG-CD2 4.38Å; F260-F264 CarbonylContact O-C 3.59Å; F260-F264 WeakPolarHBondContact O-CA 3.14Å; F260-F264 PolarHBondContact O-N 2.99Å; F260-F264 VanDerWaalsContact O-O 3.13Å; F264-D266 VanDerWaalsContact C-N 3.27Å; F264-D266 PolarHBondContact O-N 2.77Å; F264-A267 HydrophobicContact CB-CB 3.91Å; F264-A267 VanDerWaalsContact O-CB 3.28Å; F264-A267 WeakPolarHBondContact O-CB 3.23Å; F264-A267 PolarHBondContact O-N 2.81Å
265P95.7Very high96.6Very high49 Ų4943 Ų4332%0.31824%0.239SC..THydrogen-bonded Turntrans-60.3-36-165.221.5-33.4000113.2L93 F260 Y263 A267 P269L93-P265 WeakPolarHBondContact O-CG 3.39Å; F260-P265 VanDerWaalsContact O-N 3.13Å; Y263-P265 VanDerWaalsContact C-CD 3.44Å; P265-A267 VanDerWaalsContact C-N 3.31Å; P265-A267 PolarHBondContact O-N 3.3Å; P265-P269 VanDerWaalsContact O-CD 3.25Å; P265-P269 WeakPolarHBondContact O-CD 3.36Å
266D96Very high96.5Very high26 Ų2640 Ų4014%0.13923%0.225CC..THydrogen-bonded Turntrans-74.3-20.2178.367.8-38.9000113.1H91 W219 F264 P269 L270H91-D266 IonicContact CE1-OD2 2.87Å; H91-D266 IonicContact CG-OD2 3.58Å; H91-D266 IonicContact ND1-OD2 3.62Å; H91-D266 PolarHBondContact ND1-OD2 3.07Å; W219-D266 PolarHBondContact NE1-OD1 3.09Å; W219-D266 PolarHBondContact NE1-OD2 2.77Å; F264-D266 VanDerWaalsContact C-N 3.27Å; F264-D266 PolarHBondContact O-N 2.77Å; D266-P269 VanDerWaalsContact O-CD 3.32Å; D266-P269 WeakPolarHBondContact O-CD 3.42Å; D266-P269 VanDerWaalsContact O-CG 3.31Å; D266-P269 WeakPolarHBondContact O-CG 3.26Å; D266-L270 VanDerWaalsContact O-CD1 3.25Å; D266-L270 WeakPolarHBondContact O-CD1 3.46Å; D266-L270 WeakPolarHBondContact O-CG 3.25Å
267A96.3Very high96.4Very high0 Ų043.7 Ų43.70%024%0.239CC..Hα-helixtrans-72.7-30.3178.500000112.9M226 F260 F264 P265 L270 I271M226-A267 HydrophobicContact CE-CB 3.7Å; F260-A267 HydrophobicContact CD1-CB 4.14Å; F260-A267 HydrophobicContact CE1-CB 4.37Å; F264-A267 HydrophobicContact CB-CB 3.91Å; F264-A267 VanDerWaalsContact O-CB 3.28Å; F264-A267 WeakPolarHBondContact O-CB 3.23Å; F264-A267 PolarHBondContact O-N 2.81Å; P265-A267 VanDerWaalsContact C-N 3.31Å; P265-A267 PolarHBondContact O-N 3.3Å; A267-L270 PolarHBondContact O-N 2.99Å; A267-I271 HydrophobicContact CB-CD1 4.3Å; A267-I271 WeakPolarHBondContact O-CB 3.48Å; A267-I271 WeakPolarHBondContact O-CG1 3.43Å; A267-I271 PolarHBondContact O-N 3.15Å
268I96.4Very high96.2Very high25 Ų2549.3 Ų49.313%0.12826%0.259CS..Hα-helixtrans-59.6-54.5179.6-64.2173.7000112.2I257 F260 Q261 L270 G272 A273 L276I257-I268 HydrophobicContact CG2-CD1 4.34Å; F260-I268 HydrophobicContact CB-CD1 3.82Å; F260-I268 HydrophobicContact CB-CG1 3.7Å; Q261-I268 HydrophobicContact CB-CD1 4.09Å; Q261-I268 HydrophobicContact CG-CD1 3.3Å; I268-L270 PolarHBondContact O-N 2.88Å; I268-G272 VanDerWaalsContact O-CA 3.27Å; I268-G272 WeakPolarHBondContact O-CA 3.39Å; I268-G272 PolarHBondContact O-N 3.17Å; I268-A273 HydrophobicContact CG2-CB 4.24Å; I268-L276 HydrophobicContact CG1-CD2 4.32Å
269P96Very high95.9Very high78 Ų7844 Ų4451%0.50624%0.235SC..Hα-helixtrans-62.6-34.7177.423.7-32.8000110.9R205 P265 D266R205-P269 PolarHBondContact NH2-O 2.96Å; P265-P269 VanDerWaalsContact O-CD 3.25Å; P265-P269 WeakPolarHBondContact O-CD 3.36Å; D266-P269 VanDerWaalsContact O-CD 3.32Å; D266-P269 WeakPolarHBondContact O-CD 3.42Å; D266-P269 VanDerWaalsContact O-CG 3.31Å; D266-P269 WeakPolarHBondContact O-CG 3.26Å
270L96.1Very high95.8Very high22 Ų2243.4 Ų43.412%0.11523%0.232CC..Hα-helixtrans-68.2-46.6-178-69.1170.4000113.4M202 A210 M211 W219 D266 A267 I268M202-L270 HydrophobicContact CE-CB 3.62Å; M202-L270 HydrophobicContact CE-CD1 3.99Å; M202-L270 HydrophobicContact CE-CG 4.37Å; M202-L270 HydrophobicContact CG-CB 4.3Å; M202-L270 WeakPolarHBondContact CG-O 3.31Å; M202-L270 HydrophobicContact SD-CB 3.82Å; M202-L270 HydrophobicContact SD-CD1 4.47Å; M202-L270 HydrophobicContact SD-CD2 4.41Å; M202-L270 HydrophobicContact SD-CG 4.47Å; A210-L270 HydrophobicContact CB-CD2 4.17Å; A210-L270 WeakPolarHBondContact O-CD2 3.47Å; M211-L270 HydrophobicContact CG-CD1 3.93Å; M211-L270 HydrophobicContact CG-CD2 3.82Å; M211-L270 HydrophobicContact SD-CD1 3.53Å; M211-L270 VanDerWaalsContact SD-CD1 3.53Å; W219-L270 HydrophobicContact CZ2-CD1 4.44Å; D266-L270 VanDerWaalsContact O-CD1 3.25Å; D266-L270 WeakPolarHBondContact O-CD1 3.46Å; D266-L270 WeakPolarHBondContact O-CG 3.25Å; A267-L270 PolarHBondContact O-N 2.99Å; I268-L270 PolarHBondContact O-N 2.88Å
271I96.4Very high95.7Very high7 Ų748 Ų484%0.03625%0.252CS..Hα-helixtrans-81.1-35.8-179.8-63.8172.5000111L200 M202 F260 A267 T275 L276L200-I271 HydrophobicContact CD1-CD1 4.49Å; M202-I271 HydrophobicContact CB-CG1 4.32Å; M202-I271 HydrophobicContact CE-CG1 4.18Å; M202-I271 HydrophobicContact CG-CG1 4.48Å; F260-I271 HydrophobicContact CE1-CD1 4.47Å; A267-I271 HydrophobicContact CB-CD1 4.3Å; A267-I271 WeakPolarHBondContact O-CB 3.48Å; A267-I271 WeakPolarHBondContact O-CG1 3.43Å; A267-I271 PolarHBondContact O-N 3.15Å; I271-T275 HydrophobicContact CG2-CG2 4.17Å; I271-T275 WeakPolarHBondContact O-CB 3.17Å; I271-L276 HydrophobicContact CD1-CD1 4.48Å; I271-L276 HydrophobicContact CG2-CB 3.94Å; I271-L276 HydrophobicContact CG2-CD1 4.44Å
272G96.6Very high95.4Very high25 Ų2551.4 Ų51.426%0.25826%0.26SS..  trans88.7127.1-171.900000111.8I268 A274 T275 L276I268-G272 VanDerWaalsContact O-CA 3.27Å; I268-G272 WeakPolarHBondContact O-CA 3.39Å; I268-G272 PolarHBondContact O-N 3.17Å; G272-A274 PolarHBondContact O-N 3.32Å; G272-T275 WeakPolarHBondContact O-CB 3.4Å; G272-T275 PolarHBondContact O-N 3.27Å; G272-T275 VanDerWaalsContact O-N 3.13Å; G272-L276 WeakPolarHBondContact O-CB 3.13Å; G272-L276 PolarHBondContact O-N 2.92Å
273A96.4Very high95Very high40 Ų4050.6 Ų50.633%0.33126%0.262SS..Hα-helixtrans-57.2-42.7-172.900000113.9I257 I268 L276 R277I257-A273 HydrophobicContact CD1-CB 3.88Å; I268-A273 HydrophobicContact CG2-CB 4.24Å; A273-L276 PolarHBondContact O-N 3.46Å; A273-R277 VanDerWaalsContact O-CG 3.3Å; A273-R277 WeakPolarHBondContact O-CG 3.41Å; A273-R277 PolarHBondContact O-N 3.18Å; A273-R277 VanDerWaalsContact O-N 3.07Å
274A95.4Very high94.8Very high81 Ų8152.6 Ų52.667%0.66928%0.281SS*.Hα-helixtrans-65.3-41.6178.200000112.4G272 R278G272-A274 PolarHBondContact O-N 3.32Å; A274-R278 PolarHBondContact O-N 3.33Å
275T94.4Very high94.7Very high26 Ų2653.4 Ų53.416%0.1629%0.288CS..Hα-helixtrans-64.4-45.1176.5-62.20000110.9I271 G272 R277 R278 D279I271-T275 HydrophobicContact CG2-CG2 4.17Å; I271-T275 WeakPolarHBondContact O-CB 3.17Å; G272-T275 WeakPolarHBondContact O-CB 3.4Å; G272-T275 PolarHBondContact O-N 3.27Å; G272-T275 VanDerWaalsContact O-N 3.13Å; T275-R277 PolarHBondContact O-N 3.32Å; T275-R278 PolarHBondContact O-N 3.46Å; T275-D279 VanDerWaalsContact CG2-OD2 3.27Å; T275-D279 WeakPolarHBondContact CG2-OD2 3.44Å; T275-D279 WeakPolarHBondContact O-CB 3.39Å; T275-D279 PolarHBondContact O-N 3.39Å
276L95.8Very high94.6Very high0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-59.1-47.4179.1179.458.1000111.6L200 V256 I257 F260 I268 I271 G272 A273 R278 D279 Y280L200-L276 HydrophobicContact CD1-CD1 3.73Å; L200-L276 HydrophobicContact CD2-CD1 4.12Å; V256-L276 HydrophobicContact CG1-CD1 4.24Å; V256-L276 HydrophobicContact CG1-CD2 4.2Å; V256-L276 HydrophobicContact CG1-CG 3.76Å; I257-L276 HydrophobicContact CD1-CB 4.47Å; I257-L276 HydrophobicContact CD1-CD2 3.8Å; I257-L276 HydrophobicContact CD1-CG 4.34Å; F260-L276 HydrophobicContact CB-CD2 3.92Å; F260-L276 HydrophobicContact CD1-CD1 4.3Å; F260-L276 HydrophobicContact CD1-CD2 3.67Å; F260-L276 HydrophobicContact CD2-CD1 4.3Å; F260-L276 HydrophobicContact CD2-CD2 3.89Å; F260-L276 HydrophobicContact CE1-CD1 3.9Å; F260-L276 HydrophobicContact CE1-CD2 4.14Å; F260-L276 HydrophobicContact CE2-CD1 3.91Å; F260-L276 HydrophobicContact CE2-CD2 4.34Å; F260-L276 HydrophobicContact CG-CD1 4.5Å; F260-L276 HydrophobicContact CG-CD2 3.54Å; F260-L276 HydrophobicContact CZ-CD1 3.71Å; F260-L276 HydrophobicContact CZ-CD2 4.46Å; I268-L276 HydrophobicContact CG1-CD2 4.32Å; I271-L276 HydrophobicContact CD1-CD1 4.48Å; I271-L276 HydrophobicContact CG2-CB 3.94Å; I271-L276 HydrophobicContact CG2-CD1 4.44Å; G272-L276 WeakPolarHBondContact O-CB 3.13Å; G272-L276 PolarHBondContact O-N 2.92Å; A273-L276 PolarHBondContact O-N 3.46Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.35Å; L276-D279 PolarHBondContact O-N 3Å; L276-Y280 VanDerWaalsContact O-CB 3.28Å; L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 3.25Å
277R96Very high94.5Very high79 Ų7954.2 Ų54.230%0.29829%0.294SS..Hα-helixtrans-57.7-44.6175.7-71.2170.8-175.8-103.8-2.7112.4G253 D254 I257 A273 T275 F281G253-R277 WeakPolarHBondContact O-CG 3.28Å; G253-R277 VanDerWaalsContact O-CZ 3.29Å; G253-R277 PolarHBondContact O-NH1 2.81Å; D254-R277 VanDerWaalsContact CG-NH1 3.31Å; D254-R277 VanDerWaalsContact N-NH1 3.12Å; D254-R277 IonicContact OD1-CZ 2.76Å; D254-R277 IonicContact OD1-NH1 2.65Å; D254-R277 PolarHBondContact OD1-NH1 3.4Å; D254-R277 IonicContact OD1-NH2 3.56Å; D254-R277 PolarHBondContact OD1-NH2 3.48Å; D254-R277 IonicContact OD2-NH1 3.42Å; I257-R277 HydrophobicContact CD1-CG 4.2Å; I257-R277 HydrophobicContact CG1-CG 4.05Å; I257-R277 VanDerWaalsContact CG1-NE 3.28Å; I257-R277 VanDerWaalsContact CG1-NH2 3.31Å; A273-R277 VanDerWaalsContact O-CG 3.3Å; A273-R277 WeakPolarHBondContact O-CG 3.41Å; A273-R277 PolarHBondContact O-N 3.18Å; A273-R277 VanDerWaalsContact O-N 3.07Å; T275-R277 PolarHBondContact O-N 3.32Å; R277-F281 WeakPolarHBondContact O-CD2 3.33Å
278R94.6Very high94.4Very high130 Ų13054.7 Ų54.749%0.49130%0.296SS..Hα-helixtrans-67.9-50.2-179.8-176.6-163.367.9-148.7-8.1111.7A274 T275 L276 F281 R282A274-R278 PolarHBondContact O-N 3.33Å; T275-R278 PolarHBondContact O-N 3.46Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.35Å; R278-F281 PolarHBondContact O-N 2.89Å; R278-R282 PolarHBondContact O-N 3.4Å
279D92.5Very high94.3Very high10 Ų1054.3 Ų54.35%0.05330%0.295CS..Hα-helixtrans-72.7-31.1-170.4-69.8-8.5000111.6L200 T275 L276 F281 R282L200-D279 HydrophobicContact CD2-CB 3.99Å; T275-D279 VanDerWaalsContact CG2-OD2 3.27Å; T275-D279 WeakPolarHBondContact CG2-OD2 3.44Å; T275-D279 WeakPolarHBondContact O-CB 3.39Å; T275-D279 PolarHBondContact O-N 3.39Å; L276-D279 PolarHBondContact O-N 3Å; D279-F281 VanDerWaalsContact C-N 3.33Å; D279-F281 PolarHBondContact O-N 3.48Å; D279-R282 WeakPolarHBondContact O-CB 3.13Å; D279-R282 PolarHBondContact O-N 3.43Å
280Y94.9Very high94.3Very high6 Ų651.1 Ų51.12%0.02427%0.274CS..Hα-helixtrans-59.6-40.4176.3-169.1-85.6000112.9M198 L240 F247 I250 V256 L276M198-Y280 HydrophobicContact CE-CD1 4.18Å; M198-Y280 HydrophobicContact CE-CD2 4.19Å; M198-Y280 HydrophobicContact CE-CE1 4.2Å; M198-Y280 HydrophobicContact CE-CE2 4.2Å; M198-Y280 HydrophobicContact CE-CG 4.18Å; M198-Y280 WeakPolarHBondContact CE-O 3.34Å; M198-Y280 VanDerWaalsContact SD-CA 3.59Å; M198-Y280 HydrophobicContact SD-CD1 4.37Å; M198-Y280 HydrophobicContact SD-CD2 3.5Å; M198-Y280 WeakPolarHBondContact SD-CD2 3.47Å; M198-Y280 HydrophobicContact SD-CE2 3.9Å; M198-Y280 HydrophobicContact SD-CG 3.76Å; M198-Y280 VanDerWaalsContact SD-O 3.32Å; L240-Y280 HydrophobicContact CD2-CE2 4.2Å; F247-Y280 HydrophobicContact CD1-CE2 4.32Å; F247-Y280 AromaticContact CD1-CZ 3.87Å; F247-Y280 VanDerWaalsContact CD1-OH 3.25Å; F247-Y280 WeakPolarHBondContact CD1-OH 3.27Å; F247-Y280 HydrophobicContact CE1-CE2 4.19Å; I250-Y280 HydrophobicContact CB-CE1 4.19Å; I250-Y280 WeakPolarHBondContact CD1-OH 3.38Å; I250-Y280 HydrophobicContact CG2-CE1 3.75Å; V256-Y280 HydrophobicContact CG1-CD2 4.11Å; V256-Y280 HydrophobicContact CG1-CG 4.14Å; V256-Y280 HydrophobicContact CG2-CD1 3.47Å; V256-Y280 VanDerWaalsContact CG2-CD1 3.47Å; V256-Y280 HydrophobicContact CG2-CD2 4.1Å; V256-Y280 HydrophobicContact CG2-CE1 3.87Å; V256-Y280 HydrophobicContact CG2-CE2 4.45Å; V256-Y280 HydrophobicContact CG2-CG 3.6Å; L276-Y280 VanDerWaalsContact O-CB 3.28Å; L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 3.25Å
281F94.8Very high94.3Very high97 Ų9750 Ų5043%0.42527%0.269SS..THydrogen-bonded Turntrans-95.36.5-179.9-64.1-70.7000113.8I250 V256 R277 R278 D279I250-F281 HydrophobicContact CG2-CZ 4.37Å; V256-F281 HydrophobicContact CG2-CE2 3.61Å; V256-F281 HydrophobicContact CG2-CZ 3.82Å; R277-F281 WeakPolarHBondContact O-CD2 3.33Å; R278-F281 PolarHBondContact O-N 2.89Å; D279-F281 VanDerWaalsContact C-N 3.33Å; D279-F281 PolarHBondContact O-N 3.48Å
282R91Very high94.4Very high187 Ų18751.1 Ų51.171%0.70627%0.273SS*.THydrogen-bonded Turntrans-67.8-39.4-178.4-175.3178.7177.7174.3-1.4112.1R278 D279R278-R282 PolarHBondContact O-N 3.4Å; D279-R282 WeakPolarHBondContact O-CB 3.13Å; D279-R282 PolarHBondContact O-N 3.43Å
283L87.8Confident94.4Very high118 Ų11850 Ų5062%0.61826%0.261SS*.SBendtrans-142.6146177.4-70.2174.8000109.1
284P91.4Very high94.5Very high98 Ų9849.8 Ų49.864%0.63626%0.257SS*.PPolyproline II helixtrans-64.5156.4174.329-35.1000110.9Q286P284-Q286 PolarHBondContact O-N 3Å; P284-Q286 PolarHBondContact O-NE2 2.87Å
285A93.6Very high94.6Very high17 Ų1747.7 Ų47.714%0.1424%0.237CC..PPolyproline II helixtrans-54.1140.3170.600000110.8Y197 F244 F247Y197-A285 WeakPolarHBondContact O-CA 3.47Å; F244-A285 HydrophobicContact CD1-CB 4.31Å; F244-A285 HydrophobicContact CE1-CB 3.86Å; F247-A285 HydrophobicContact CB-CB 4.38Å; F247-A285 HydrophobicContact CD1-CB 3.96Å; F247-A285 HydrophobicContact CD2-CB 3.53Å; F247-A285 HydrophobicContact CE1-CB 4.09Å; F247-A285 HydrophobicContact CE2-CB 3.62Å; F247-A285 HydrophobicContact CG-CB 3.71Å; F247-A285 HydrophobicContact CZ-CB 3.92Å
286Q93.6Very high94.8Very high53 Ų5346.5 Ų46.525%0.24823%0.23CC..EExtended strand (participates in β ladder)trans-100.9134.9-173.4-63.3-60.6-58.500110.8G196 Y197 P284G196-Q286 CarbonylContact C-O 3.53Å; G196-Q286 WeakPolarHBondContact CA-O 3.39Å; Y197-Q286 HydrophobicContact CD1-CB 3.77Å; Y197-Q286 WeakPolarHBondContact CD1-O 3.12Å; Y197-Q286 HydrophobicContact CD2-CB 4.35Å; Y197-Q286 HydrophobicContact CE1-CB 3.32Å; Y197-Q286 HydrophobicContact CE1-CG 4.36Å; Y197-Q286 HydrophobicContact CE2-CB 3.94Å; Y197-Q286 HydrophobicContact CE2-CG 4.17Å; Y197-Q286 HydrophobicContact CG-CB 4.27Å; Y197-Q286 PolarHBondContact N-O 3.16Å; Y197-Q286 PolarHBondContact O-N 3.14Å; P284-Q286 PolarHBondContact O-N 3Å; P284-Q286 PolarHBondContact O-NE2 2.87Å
287A94.6Very high95Very high40 Ų4048.1 Ų48.133%0.33124%0.237SC..EExtended strand (participates in β ladder)trans-72.3144.3178.400000111.7Y192 F244Y192-A287 HydrophobicContact CD1-CB 3.99Å; Y192-A287 HydrophobicContact CE1-CB 4.05Å; F244-A287 HydrophobicContact CE2-CB 4.29Å; F244-A287 HydrophobicContact CZ-CB 4.01Å
288M93.9Very high95Very high10 Ų1045.5 Ų45.55%0.04923%0.229CC..EExtended strand (participates in β ladder)trans-110.8136.5173.1-66.1176-75.800109.2I193 H195 Y197 F241 P314 F315I193-M288 HydrophobicContact CD1-CB 3.87Å; I193-M288 HydrophobicContact CD1-CE 3.72Å; I193-M288 HydrophobicContact CD1-SD 4.27Å; I193-M288 HydrophobicContact CG1-CB 3.8Å; I193-M288 HydrophobicContact CG1-CE 4.34Å; I193-M288 PolarHBondContact N-O 3.43Å; H195-M288 HydrophobicContact CB-CE 3.81Å; H195-M288 WeakPolarHBondContact O-CE 3.49Å; Y197-M288 HydrophobicContact CD1-CG 3.59Å; Y197-M288 HydrophobicContact CD1-SD 3.96Å; Y197-M288 HydrophobicContact CE1-CG 4.02Å; F241-M288 HydrophobicContact CD1-CE 3.8Å; F241-M288 HydrophobicContact CD1-SD 3.9Å; F241-M288 HydrophobicContact CE1-CE 4.32Å; F241-M288 HydrophobicContact CE1-SD 3.79Å; M288-P314 WeakPolarHBondContact SD-CD 3.44Å; M288-P314 HydrophobicContact SD-CG 3.46Å; M288-P314 WeakPolarHBondContact SD-CG 3.45Å; M288-F315 HydrophobicContact CE-CE2 4.45Å; M288-F315 HydrophobicContact CE-CZ 3.91Å; M288-F315 HydrophobicContact SD-CE2 4.34Å; M288-F315 HydrophobicContact SD-CZ 4.1Å
289V94.3Very high95Very high16 Ų1641.6 Ų41.610%0.09723%0.229CC..EExtended strand (participates in β ladder)trans-125.2136.3-176.268.50000109.6A172 F173 Q190 T191 Y192 V291 A311A172-V289 HydrophobicContact CB-CG1 4Å; F173-V289 HydrophobicContact CZ-CG1 4.19Å; Q190-V289 HydrophobicContact CG-CG2 3.47Å; Q190-V289 VanDerWaalsContact CG-CG2 3.47Å; T191-V289 WeakPolarHBondContact O-CA 3.46Å; Y192-V289 HydrophobicContact CD1-CB 3.9Å; Y192-V289 HydrophobicContact CD1-CG2 4.14Å; Y192-V289 HydrophobicContact CE1-CB 3.77Å; Y192-V289 HydrophobicContact CE1-CG2 4.02Å; V289-V291 HydrophobicContact CG2-CG2 4.02Å; V289-A311 HydrophobicContact CG1-CB 4.37Å
290S95.5Very high95.1Very high11 Ų1144.5 Ų44.58%0.07725%0.245CC..EExtended strand (participates in β ladder)trans-101.2128.7165.8-172.80000108.6Q190 T191 A311Q190-S290 CarbonylContact C-O 3.58Å; Q190-S290 WeakPolarHBondContact CA-O 3.32Å; T191-S290 PolarHBondContact N-O 3.18Å; T191-S290 PolarHBondContact O-N 2.82Å; S290-A311 CarbonylContact C-O 3.59Å; S290-A311 VanDerWaalsContact CA-O 3.28Å; S290-A311 WeakPolarHBondContact CA-O 3.32Å
291V96.4Very high95.2Very high0 Ų046.4 Ų46.40%025%0.253CS..EExtended strand (participates in β ladder)trans-128.1130.1176.7175.20000108.8Y188 S189 Q190 V289 H310 A311Y188-V291 HydrophobicContact CD2-CG1 4.28Å; Y188-V291 HydrophobicContact CE2-CG1 3.52Å; S189-V291 WeakPolarHBondContact O-CA 3.48Å; Q190-V291 HydrophobicContact CB-CG2 4.36Å; Q190-V291 HydrophobicContact CG-CG2 4.07Å; V289-V291 HydrophobicContact CG2-CG2 4.02Å; V291-H310 WeakPolarHBondContact O-CA 3.31Å; V291-A311 HydrophobicContact CB-CB 3.72Å; V291-A311 HydrophobicContact CG2-CB 3.88Å; V291-A311 PolarHBondContact N-O 3.33Å; V291-A311 PolarHBondContact O-N 2.95Å
292K98.1Very high95.3Very high29 Ų2941.8 Ų41.813%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-125.5137.1166.5-68-178.9166-165.80109.7Y188 S189 H357 A360 D361Y188-K292 WeakPolarHBondContact CA-O 3.46Å; S189-K292 PolarHBondContact N-O 3.16Å; S189-K292 PolarHBondContact O-N 3.33Å; S189-K292 VanDerWaalsContact O-N 3.09Å; S189-K292 PolarHBondContact OG-O 2.95Å; K292-H357 HydrophobicContact CD-CB 4.46Å; K292-H357 VanDerWaalsContact CE-O 3.3Å; K292-H357 WeakPolarHBondContact CE-O 3.35Å; K292-H357 PolarHBondContact NZ-O 3.14Å; K292-A360 HydrophobicContact CG-CB 4.33Å; K292-D361 IonicContact NZ-OD1 2.67Å; K292-D361 PolarHBondContact NZ-OD1 3.27Å; K292-D361 IonicContact NZ-OD2 2.68Å; K292-D361 PolarHBondContact NZ-OD2 3.36Å
293C98.3Very high95.7Very high1 Ų132.9 Ų32.91%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-135.8165.6167.364.70000112.8F186 N187 Y188 Y296 A309 H357F186-C293 HydrophobicContact CE1-CB 4.16Å; F186-C293 HydrophobicContact CE2-CB 3.73Å; F186-C293 HydrophobicContact CZ-CB 3.35Å; N187-C293 CarbonylContact O-C 3.58Å; N187-C293 WeakPolarHBondContact O-CA 3.49Å; N187-C293 WeakPolarHBondContact O-CB 3.45Å; Y188-C293 HydrophobicContact CD2-CB 4.13Å; C293-Y296 WeakPolarHBondContact O-CE1 3.47Å; C293-A309 PolarHBondContact SG-O 2.82Å; C293-A309 VanDerWaalsContact SG-O 3.33Å; C293-H357 PolarHBondContact O-NE2 3.27Å
294S97.9Very high96.2Very high36 Ų3627.2 Ų27.225%0.25217%0.17SC..EExtended strand (participates in β ladder)trans-161.3139.4171.1177.90000110.1F186 N187F186-S294 WeakPolarHBondContact CD2-O 3.34Å; N187-S294 PolarHBondContact N-O 3.46Å; N187-S294 PolarHBondContact O-N 3.21Å
295P98.1Very high96.6Very high38 Ų3822.6 Ų22.625%0.24714%0.14CC..  cis-73174.3-5.531.6-38000113F186F186-P295 VanDerWaalsContact CE2-O 3.28Å; F186-P295 WeakPolarHBondContact CE2-O 3.42Å
296Y98.6Very high96.8Very high0 Ų021.8 Ų21.80%013%0.133CC..SBendtrans-903.1173.7-66.8-21.5000114C293 V303 L304 A309 Y348 S349 R352 V353 D356C293-Y296 WeakPolarHBondContact O-CE1 3.47Å; Y296-V303 CarbonylContact O-C 3.53Å; Y296-V303 VanDerWaalsContact O-CA 3.28Å; Y296-V303 WeakPolarHBondContact O-CA 3.5Å; Y296-L304 PolarHBondContact O-N 2.9Å; Y296-A309 HydrophobicContact CD1-CB 3.77Å; Y296-A309 HydrophobicContact CD2-CB 4.13Å; Y296-A309 HydrophobicContact CE1-CB 3.64Å; Y296-A309 WeakPolarHBondContact CE1-O 3.34Å; Y296-A309 HydrophobicContact CE2-CB 4.04Å; Y296-A309 HydrophobicContact CG-CB 4.02Å; Y296-Y348 HydrophobicContact CD2-CE1 4.18Å; Y296-S349 WeakPolarHBondContact CA-OG 3.41Å; Y296-S349 PolarHBondContact N-OG 3.48Å; Y296-R352 HydrophobicContact CE2-CG 4.48Å; Y296-V353 HydrophobicContact CD1-CG2 3.92Å; Y296-V353 HydrophobicContact CD2-CG2 3.56Å; Y296-V353 HydrophobicContact CE1-CG2 3.98Å; Y296-V353 HydrophobicContact CE2-CB 4.29Å; Y296-V353 HydrophobicContact CE2-CG2 3.6Å; Y296-V353 HydrophobicContact CG-CG2 3.71Å; Y296-D356 HydrophobicContact CE2-CB 4.17Å; Y296-D356 WeakPolarHBondContact CE2-OD2 3.34Å; Y296-D356 VanDerWaalsContact OH-CB 3.31Å; Y296-D356 WeakPolarHBondContact OH-CB 3.44Å
297H98.3Very high97Very high34 Ų3422.1 Ų22.116%0.15714%0.136CC..EExtended strand (participates in β ladder)trans-131.4162.9-179.473.6-71.5000113.7G299 C302 L345 P346 S349H297-G299 PolarHBondContact CD2-O 2.91Å; H297-C302 CarbonylContact C-O 3.56Å; H297-C302 WeakPolarHBondContact CA-O 3.33Å; H297-C302 VanDerWaalsContact CB-O 3.31Å; H297-C302 WeakPolarHBondContact CB-O 3.35Å; H297-L345 HydrophobicContact CB-CB 3.7Å; H297-L345 HydrophobicContact CB-CD1 4.39Å; H297-L345 PolarHBondContact ND1-O 3.34Å; H297-P346 VanDerWaalsContact CE1-CA 3.46Å; H297-P346 WeakPolarHBondContact CE1-CA 3.33Å; H297-S349 PolarHBondContact N-OG 2.83Å; H297-S349 VanDerWaalsContact ND1-CB 3.34Å; H297-S349 WeakPolarHBondContact ND1-CB 3.27Å; H297-S349 PolarHBondContact ND1-OG 2.74Å
298I96.5Very high97.2Very high25 Ų2520.2 Ų20.213%0.12812%0.12CC..EExtended strand (participates in β ladder)trans-128.2117164.3-65.8168.9000108.4W142 A144 F180 R183 D300 K301 C302W142-I298 HydrophobicContact CH2-CD1 4.01Å; A144-I298 HydrophobicContact CB-CB 4.4Å; A144-I298 HydrophobicContact CB-CG2 3.6Å; F180-I298 HydrophobicContact CB-CD1 4.29Å; F180-I298 HydrophobicContact CD1-CD1 3.79Å; F180-I298 HydrophobicContact CD1-CG1 3.75Å; F180-I298 HydrophobicContact CD2-CD1 3.48Å; F180-I298 VanDerWaalsContact CD2-CD1 3.48Å; F180-I298 HydrophobicContact CD2-CG1 4.26Å; F180-I298 HydrophobicContact CE1-CD1 3.93Å; F180-I298 HydrophobicContact CE1-CG1 3.6Å; F180-I298 HydrophobicContact CE2-CD1 3.59Å; F180-I298 HydrophobicContact CE2-CG1 4.09Å; F180-I298 HydrophobicContact CG-CD1 3.57Å; F180-I298 HydrophobicContact CG-CG1 4.09Å; F180-I298 HydrophobicContact CZ-CB 4.49Å; F180-I298 HydrophobicContact CZ-CD1 3.81Å; F180-I298 HydrophobicContact CZ-CG1 3.76Å; R183-I298 HydrophobicContact CG-CD1 3.92Å; R183-I298 HydrophobicContact CG-CG1 4.47Å; I298-D300 PolarHBondContact O-N 2.96Å; I298-K301 PolarHBondContact O-N 3.2Å; I298-C302 HydrophobicContact CB-CB 4.45Å; I298-C302 PolarHBondContact N-O 2.8Å; I298-C302 PolarHBondContact O-N 2.88Å
299G94.4Very high97.4Very high48 Ų4819.7 Ų19.750%0.49512%0.118SC..THydrogen-bonded Turntrans54.3-136.8179.300000111.9H297H297-G299 PolarHBondContact CD2-O 2.91Å
300D96Very high97.5Very high70 Ų7019 Ų1937%0.37411%0.114SC..THydrogen-bonded Turntrans-104.39.2174.864.6-20.7000112.5I298 F341I298-D300 PolarHBondContact O-N 2.96Å; D300-F341 HydrophobicContact CB-CB 4.12Å; D300-F341 WeakPolarHBondContact O-CB 3.06Å
301K95.9Very high97.6Very high46 Ų4618.6 Ų18.620%0.211%0.111CC..THydrogen-bonded Turntrans-110.3-23-169.7-67.9-53.2-175.3178.80115.8A144 D164 L165 I166 I298A144-K301 WeakPolarHBondContact O-CB 3.37Å; A144-K301 WeakPolarHBondContact O-CG 3.25Å; D164-K301 WeakPolarHBondContact O-CD 3.41Å; L165-K301 CarbonylContact C-O 3.58Å; I166-K301 PolarHBondContact N-O 2.82Å; I298-K301 PolarHBondContact O-N 3.2Å
302C98.2Very high97.4Very high0 Ų019.6 Ų19.60%012%0.117CC..EExtended strand (participates in β ladder)trans-144.6139.3-173-173.70000113.2W142 I166 V176 F180 H297 I298W142-C302 HydrophobicContact CH2-CB 3.53Å; W142-C302 WeakPolarHBondContact CH2-SG 3.25Å; W142-C302 HydrophobicContact CZ3-CB 3.63Å; I166-C302 HydrophobicContact CB-CB 4.27Å; I166-C302 CarbonylContact O-C 3.54Å; I166-C302 VanDerWaalsContact O-CA 3.27Å; I166-C302 WeakPolarHBondContact O-CA 3.45Å; V176-C302 VanDerWaalsContact CG1-SG 3.53Å; F180-C302 HydrophobicContact CZ-CB 4.5Å; H297-C302 CarbonylContact C-O 3.56Å; H297-C302 WeakPolarHBondContact CA-O 3.33Å; H297-C302 VanDerWaalsContact CB-O 3.31Å; H297-C302 WeakPolarHBondContact CB-O 3.35Å; I298-C302 HydrophobicContact CB-CB 4.45Å; I298-C302 PolarHBondContact N-O 2.8Å; I298-C302 PolarHBondContact O-N 2.88Å
303V98.7Very high97.1Very high0 Ų018.3 Ų18.30%011%0.112CC..EExtended strand (participates in β ladder)trans-139.2143.8175.864.40000111.4L165 I166 V167 G168 Y296 M305 F330 L345 Y348L165-V303 HydrophobicContact CD1-CG1 4.28Å; I166-V303 PolarHBondContact O-N 3.47Å; V167-V303 CarbonylContact C-O 3.58Å; V167-V303 WeakPolarHBondContact CA-O 3.49Å; V167-V303 HydrophobicContact CB-CG1 4.43Å; V167-V303 HydrophobicContact CG1-CG1 4.21Å; V167-V303 HydrophobicContact CG2-CG1 4.1Å; G168-V303 PolarHBondContact N-O 3.31Å; Y296-V303 CarbonylContact O-C 3.53Å; Y296-V303 VanDerWaalsContact O-CA 3.28Å; Y296-V303 WeakPolarHBondContact O-CA 3.5Å; V303-M305 HydrophobicContact CG1-CE 3.91Å; V303-M305 HydrophobicContact CG2-CE 4.07Å; V303-F330 HydrophobicContact CG1-CE2 4.32Å; V303-F330 HydrophobicContact CG1-CZ 4.47Å; V303-F330 HydrophobicContact CG2-CE2 4.33Å; V303-L345 HydrophobicContact CB-CD2 4Å; V303-L345 HydrophobicContact CG1-CD2 4.23Å; V303-L345 HydrophobicContact CG2-CD2 4.48Å; V303-Y348 HydrophobicContact CG2-CD1 3.54Å; V303-Y348 HydrophobicContact CG2-CE1 3.66Å
304L98.8Very high96.6Very high0 Ų020.6 Ų20.60%013%0.126CC..EExtended strand (participates in β ladder)trans-101.5140.8174.5-58.4176.1000110.2V176 R177 F180 Y296 A308 A309V176-L304 HydrophobicContact CB-CD2 4.06Å; V176-L304 HydrophobicContact CG1-CD2 3.68Å; R177-L304 HydrophobicContact CB-CD1 3.94Å; R177-L304 HydrophobicContact CB-CD2 4.24Å; R177-L304 HydrophobicContact CG-CD1 3.83Å; F180-L304 HydrophobicContact CD1-CD1 4.08Å; F180-L304 HydrophobicContact CD2-CD1 4.28Å; F180-L304 HydrophobicContact CE1-CD1 3.89Å; F180-L304 HydrophobicContact CE1-CG 4Å; F180-L304 HydrophobicContact CE2-CD1 4.14Å; F180-L304 HydrophobicContact CE2-CD2 3.89Å; F180-L304 HydrophobicContact CE2-CG 3.93Å; F180-L304 HydrophobicContact CG-CD1 4.28Å; F180-L304 HydrophobicContact CZ-CD1 3.95Å; F180-L304 HydrophobicContact CZ-CD2 4.07Å; F180-L304 HydrophobicContact CZ-CG 3.63Å; Y296-L304 PolarHBondContact O-N 2.9Å; L304-A308 HydrophobicContact CD2-CB 4.43Å; L304-A309 HydrophobicContact CB-CB 3.81Å
305M98.8Very high96Very high1 Ų119.8 Ų19.81%0.00512%0.119CC..  trans-142.2153.5176.1-60.6-175.7-176.900112V22 N26 V167 G168 V303 D326 F330 Y348V22-M305 HydrophobicContact CG1-CB 4.13Å; N26-M305 PolarHBondContact ND2-SD 3.49Å; V167-M305 HydrophobicContact CG1-CE 4.47Å; V167-M305 HydrophobicContact CG1-CG 4.45Å; V167-M305 HydrophobicContact CG1-SD 4.1Å; G168-M305 PolarHBondContact O-N 2.84Å; V303-M305 HydrophobicContact CG1-CE 3.91Å; V303-M305 HydrophobicContact CG2-CE 4.07Å; M305-D326 HydrophobicContact CB-CB 4.4Å; M305-F330 HydrophobicContact CE-CB 3.61Å; M305-F330 HydrophobicContact CE-CD1 3.72Å; M305-F330 HydrophobicContact CE-CD2 3.21Å; M305-F330 HydrophobicContact CE-CE1 4.18Å; M305-F330 HydrophobicContact CE-CE2 3.71Å; M305-F330 HydrophobicContact CE-CG 3.21Å; M305-F330 HydrophobicContact CE-CZ 4.16Å; M305-Y348 HydrophobicContact CE-CE1 4.32Å; M305-Y348 HydrophobicContact CG-CE1 4.3Å
306G98.3Very high95.3Very high0 Ų020.5 Ų20.50%012%0.117CC..G310 helixtrans61.6-147.1-176.500000112.9A308 A309 H310 D326G306-A308 PolarHBondContact O-N 2.95Å; G306-A309 WeakPolarHBondContact O-CA 3.17Å; G306-A309 WeakPolarHBondContact O-CB 3.41Å; G306-A309 PolarHBondContact O-N 2.87Å; G306-H310 PolarHBondContact O-N 3.19Å; G306-D326 PolarHBondContact N-OD2 2.82Å
307D97.6Very high94.6Very high59 Ų5922 Ų2232%0.31613%0.132SC..G310 helixtrans-56-19.5-179-71.17.8000114.3A172 A309A172-D307 WeakPolarHBondContact CA-O 3.38Å; A172-D307 HydrophobicContact CB-CB 4.31Å; D307-A309 VanDerWaalsContact C-N 3.3Å
308A98.3Very high94Very high0 Ų021.4 Ų21.40%013%0.129CC..G310 helixtrans-67.5-32.2172.500000112G168 G171 R177 L304 G306G168-A308 VanDerWaalsContact O-CB 3.29Å; G168-A308 WeakPolarHBondContact O-CB 3.25Å; G171-A308 WeakPolarHBondContact O-CA 3.3Å; R177-A308 WeakPolarHBondContact CD-O 3.21Å; R177-A308 PolarHBondContact NH1-O 3.33Å; L304-A308 HydrophobicContact CD2-CB 4.43Å; G306-A308 PolarHBondContact O-N 2.95Å
309A98.4Very high93.8Very high0 Ų021 Ų210%013%0.131CC..THydrogen-bonded Turntrans-93.6-41.2176.100000112.7C293 Y296 L304 G306 D307C293-A309 PolarHBondContact SG-O 2.82Å; C293-A309 VanDerWaalsContact SG-O 3.33Å; Y296-A309 HydrophobicContact CD1-CB 3.77Å; Y296-A309 HydrophobicContact CD2-CB 4.13Å; Y296-A309 HydrophobicContact CE1-CB 3.64Å; Y296-A309 WeakPolarHBondContact CE1-O 3.34Å; Y296-A309 HydrophobicContact CE2-CB 4.04Å; Y296-A309 HydrophobicContact CG-CB 4.02Å; L304-A309 HydrophobicContact CB-CB 3.81Å; G306-A309 WeakPolarHBondContact O-CA 3.17Å; G306-A309 WeakPolarHBondContact O-CB 3.41Å; G306-A309 PolarHBondContact O-N 2.87Å; D307-A309 VanDerWaalsContact C-N 3.3Å
310H97.3Very high93.8Very high0 Ų019.6 Ų19.60%011%0.112CC..EExtended strand (participates in β ladder)trans-145.288.6-174.549.992.1000111.5V291 G306 V312 D326 D356V291-H310 WeakPolarHBondContact O-CA 3.31Å; G306-H310 PolarHBondContact O-N 3.19Å; H310-V312 PolarHBondContact O-N 2.84Å; H310-D326 IonicContact CD2-OD2 3.83Å; H310-D326 IonicContact CE1-OD1 3.79Å; H310-D326 IonicContact CE1-OD2 3.14Å; H310-D326 IonicContact NE2-OD1 3.51Å; H310-D326 PolarHBondContact NE2-OD1 2.84Å; H310-D326 IonicContact NE2-OD2 2.69Å; H310-D326 PolarHBondContact NE2-OD2 2.76Å; H310-D356 HydrophobicContact CB-CB 4.03Å; H310-D356 IonicContact CD2-OD1 2.95Å; H310-D356 IonicContact CD2-OD2 2.79Å; H310-D356 PolarHBondContact CD2-OD2 2.75Å; H310-D356 IonicContact CE1-OD1 2.97Å; H310-D356 IonicContact CE1-OD2 2.63Å; H310-D356 IonicContact CG-OD2 2.76Å; H310-D356 IonicContact ND1-OD1 3.9Å; H310-D356 IonicContact NE2-OD1 3.9Å; H310-D356 PolarHBondContact NE2-OD1 3.18Å; H310-D356 IonicContact NE2-OD2 3.73Å; H310-D356 PolarHBondContact NE2-OD2 2.9Å
311A95.9Very high93.8Very high3 Ų316.3 Ų16.33%0.0259%0.094CC..EExtended strand (participates in β ladder)trans-75.9118.9171.300000108.9A172 V289 S290 V291A172-A311 HydrophobicContact CB-CB 3.62Å; V289-A311 HydrophobicContact CG1-CB 4.37Å; S290-A311 CarbonylContact C-O 3.59Å; S290-A311 VanDerWaalsContact CA-O 3.28Å; S290-A311 WeakPolarHBondContact CA-O 3.32Å; V291-A311 HydrophobicContact CB-CB 3.72Å; V291-A311 HydrophobicContact CG2-CB 3.88Å; V291-A311 PolarHBondContact N-O 3.33Å; V291-A311 PolarHBondContact O-N 2.95Å
312V92.6Very high93.8Very high22 Ų2214.2 Ų14.213%0.1339%0.086CC..  trans-111.3137.1-175.4-176.60000110.8H310 I359 A360 A363H310-V312 PolarHBondContact O-N 2.84Å; V312-I359 HydrophobicContact CG2-CG2 4.41Å; V312-A360 HydrophobicContact CG2-CB 3.99Å; V312-A363 HydrophobicContact CG1-CB 3.29Å
313V91.4Very high93.8Very high2 Ų214.2 Ų14.21%0.0129%0.086CC..  trans-64.6143.8174-67.40000111.1I193 F315 A363 M364I193-V313 HydrophobicContact CD1-CB 4.39Å; I193-V313 HydrophobicContact CD1-CG1 3.86Å; I193-V313 HydrophobicContact CG1-CG1 4.33Å; I193-V313 HydrophobicContact CG2-CG1 4.15Å; V313-F315 HydrophobicContact CB-CD2 3.76Å; V313-F315 HydrophobicContact CB-CE2 3.92Å; V313-F315 HydrophobicContact CG2-CD2 3.73Å; V313-F315 HydrophobicContact CG2-CE2 4.28Å; V313-F315 PolarHBondContact O-N 3.46Å; V313-A363 HydrophobicContact CG2-CB 3.85Å; V313-M364 HydrophobicContact CB-SD 4.41Å; V313-M364 HydrophobicContact CG1-SD 3.88Å; V313-M364 HydrophobicContact CG2-CG 4.18Å; V313-M364 HydrophobicContact CG2-SD 3.61Å
314P89.4Confident93.8Very high48 Ų4814.2 Ų14.231%0.3129%0.086SC..G310 helixtrans-77.110.4-163.431.7-37.2000115.1F241 M288 Y316 G317F241-P314 HydrophobicContact CE1-CG 3.78Å; F241-P314 HydrophobicContact CZ-CG 4.15Å; M288-P314 WeakPolarHBondContact SD-CD 3.44Å; M288-P314 HydrophobicContact SD-CG 3.46Å; M288-P314 WeakPolarHBondContact SD-CG 3.45Å; P314-Y316 PolarHBondContact O-N 3.23Å; P314-G317 PolarHBondContact O-N 2.72Å
315F85.1Confident93.8Very high20 Ų2015.9 Ų15.99%0.0889%0.093CC..G310 helixtrans-75.1-9-172.7-57.4-71.3000114.3I193 F241 M288 V313 N366 Y367 F371I193-F315 HydrophobicContact CD1-CE2 3.5Å; I193-F315 VanDerWaalsContact CD1-CE2 3.5Å; I193-F315 HydrophobicContact CD1-CZ 4.01Å; F241-F315 HydrophobicContact CB-CE1 4.34Å; F241-F315 AromaticContact CD1-CE1 3.94Å; F241-F315 HydrophobicContact CD1-CE1 3.94Å; F241-F315 HydrophobicContact CD1-CZ 4.13Å; F241-F315 HydrophobicContact CD2-CE1 4.38Å; F241-F315 HydrophobicContact CE1-CE1 4.32Å; F241-F315 AromaticContact CG-CE1 3.96Å; F241-F315 HydrophobicContact CG-CE1 3.96Å; M288-F315 HydrophobicContact CE-CE2 4.45Å; M288-F315 HydrophobicContact CE-CZ 3.91Å; M288-F315 HydrophobicContact SD-CE2 4.34Å; M288-F315 HydrophobicContact SD-CZ 4.1Å; V313-F315 HydrophobicContact CB-CD2 3.76Å; V313-F315 HydrophobicContact CB-CE2 3.92Å; V313-F315 HydrophobicContact CG2-CD2 3.73Å; V313-F315 HydrophobicContact CG2-CE2 4.28Å; V313-F315 PolarHBondContact O-N 3.46Å; F315-N366 HydrophobicContact CB-CB 4.47Å; F315-N366 PolarHBondContact O-ND2 3.48Å; F315-Y367 VanDerWaalsContact CD2-CB 3.49Å; F315-Y367 AromaticContact CD2-CD2 3.7Å; F315-Y367 HydrophobicContact CD2-CD2 3.7Å; F315-Y367 AromaticContact CD2-CG 3.95Å; F315-Y367 HydrophobicContact CD2-CG 3.95Å; F315-Y367 HydrophobicContact CE1-CD2 4.19Å; F315-Y367 AromaticContact CE2-CD2 3.21Å; F315-Y367 HydrophobicContact CE2-CD2 3.21Å; F315-Y367 HydrophobicContact CE2-CE2 4Å; F315-Y367 AromaticContact CE2-CG 3.84Å; F315-Y367 HydrophobicContact CE2-CG 3.84Å; F315-Y367 HydrophobicContact CG-CD2 4.32Å; F315-Y367 AromaticContact CZ-CD2 3.49Å; F315-Y367 HydrophobicContact CZ-CD2 3.49Å; F315-Y367 VanDerWaalsContact CZ-CD2 3.49Å; F315-Y367 HydrophobicContact CZ-CE2 4.01Å; F315-Y367 HydrophobicContact CZ-CG 4.5Å; F315-F371 AromaticContact CD1-CE2 3.88Å; F315-F371 HydrophobicContact CD1-CE2 3.88Å; F315-F371 HydrophobicContact CD1-CZ 4.44Å; F315-F371 AromaticContact CE1-CE2 3.38Å; F315-F371 HydrophobicContact CE1-CE2 3.38Å; F315-F371 AromaticContact CE1-CZ 3.82Å; F315-F371 HydrophobicContact CE1-CZ 3.82Å; F315-F371 AromaticContact CZ-CE2 3.82Å; F315-F371 HydrophobicContact CZ-CE2 3.82Å; F315-F371 HydrophobicContact CZ-CZ 4.48Å
316Y82.3Confident93.8Very high53 Ų5315.8 Ų15.821%0.2089%0.093CC..G310 helixtrans-114.9-4.1174-147.6-119.4000113.4P314 Q318 I359 N366 L410P314-Y316 PolarHBondContact O-N 3.23Å; Y316-Q318 HydrophobicContact CD1-CB 4.32Å; Y316-Q318 HydrophobicContact CD1-CG 3.46Å; Y316-Q318 VanDerWaalsContact CD1-CG 3.46Å; Y316-Q318 HydrophobicContact CE1-CG 4.11Å; Y316-Q318 HydrophobicContact CG-CG 4.36Å; Y316-Q318 WeakPolarHBondContact O-CG 3.28Å; Y316-Q318 PolarHBondContact O-N 3.27Å; Y316-Q318 PolarHBondContact O-NE2 3.44Å; Y316-I359 HydrophobicContact CD1-CD1 3.67Å; Y316-I359 HydrophobicContact CE1-CD1 4Å; Y316-N366 HydrophobicContact CD2-CB 4.46Å; Y316-L410 WeakPolarHBondContact OH-CD2 3.44Å
317G83.9Confident93.8Very high31 Ų3115.9 Ų15.932%0.329%0.094SC..SBendtrans63.715.6-179.100000115P314 N321P314-G317 PolarHBondContact O-N 2.72Å; G317-N321 PolarHBondContact O-ND2 2.81Å
318Q86.9Confident93.8Very high22 Ų2213.8 Ų13.810%0.1038%0.082CC..  trans-102.3-6.7-171.9-64.5-54.4-49.400115.6S62 Y316 M320 N321 A322 I359S62-Q318 PolarHBondContact OG-OE1 2.74Å; Y316-Q318 HydrophobicContact CD1-CB 4.32Å; Y316-Q318 HydrophobicContact CD1-CG 3.46Å; Y316-Q318 VanDerWaalsContact CD1-CG 3.46Å; Y316-Q318 HydrophobicContact CE1-CG 4.11Å; Y316-Q318 HydrophobicContact CG-CG 4.36Å; Y316-Q318 WeakPolarHBondContact O-CG 3.28Å; Y316-Q318 PolarHBondContact O-N 3.27Å; Y316-Q318 PolarHBondContact O-NE2 3.44Å; Q318-M320 PolarHBondContact O-N 3.33Å; Q318-N321 CarbonylContact O-C 3.59Å; Q318-N321 PolarHBondContact O-N 2.98Å; Q318-N321 VanDerWaalsContact OE1-CB 3.31Å; Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 2.71Å; Q318-I359 HydrophobicContact CB-CD1 3.91Å; Q318-I359 HydrophobicContact CB-CG1 3.76Å; Q318-I359 HydrophobicContact CG-CD1 3.96Å; Q318-I359 HydrophobicContact CG-CG1 4.38Å
319G91.8Very high93.8Very high16 Ų1615 Ų1517%0.1659%0.09CC..Hα-helixtrans-53.6-51.9-176.100000113.9G323G319-G323 PolarHBondContact O-N 2.98Å
320M94.7Very high93.8Very high19 Ų1915.2 Ų15.29%0.0949%0.091CC..Hα-helixtrans-62.6-43.9173.4175.5-162.766.900112.2L21 L59 L61 L117 Q318 A322 G323 F324L21-M320 HydrophobicContact CD1-CB 4.42Å; L21-M320 HydrophobicContact CD1-CG 3.88Å; L21-M320 HydrophobicContact CD1-SD 3.97Å; L59-M320 HydrophobicContact CB-CE 4.25Å; L59-M320 HydrophobicContact CB-SD 4.17Å; L59-M320 HydrophobicContact CD1-SD 3.6Å; L59-M320 HydrophobicContact CG-SD 4.45Å; L61-M320 HydrophobicContact CB-CE 4.01Å; L61-M320 HydrophobicContact CD1-CE 3.48Å; L61-M320 VanDerWaalsContact CD1-CE 3.48Å; L61-M320 HydrophobicContact CG-CE 4.37Å; L117-M320 HydrophobicContact CD2-SD 3.53Å; L117-M320 VanDerWaalsContact CD2-SD 3.53Å; Q318-M320 PolarHBondContact O-N 3.33Å; M320-A322 PolarHBondContact O-N 3.49Å; M320-G323 PolarHBondContact O-N 3.06Å; M320-F324 HydrophobicContact CG-CD1 4.22Å; M320-F324 HydrophobicContact CG-CD2 4.49Å; M320-F324 HydrophobicContact CG-CE1 3.99Å; M320-F324 HydrophobicContact CG-CE2 4.24Å; M320-F324 HydrophobicContact CG-CG 4.48Å; M320-F324 HydrophobicContact CG-CZ 3.99Å; M320-F324 WeakPolarHBondContact O-CB 3.48Å; M320-F324 WeakPolarHBondContact O-CD1 3.32Å; M320-F324 WeakPolarHBondContact O-CG 3.46Å; M320-F324 PolarHBondContact O-N 3.13Å; M320-F324 HydrophobicContact SD-CE2 4.25Å; M320-F324 HydrophobicContact SD-CZ 4.2Å
321N95.7Very high93.9Very high0 Ų016.5 Ų16.50%010%0.098CC..Hα-helixtrans-66.3-38.6-175.4-64.3-67.6000111.9A60 S62 R64 G65 G317 Q318 F324 E325A60-N321 PolarHBondContact O-ND2 2.84Å; S62-N321 PolarHBondContact N-OD1 3.41Å; S62-N321 WeakPolarHBondContact OG-CB 3.39Å; S62-N321 PolarHBondContact OG-OD1 3.16Å; R64-N321 HydrophobicContact CB-CB 4.37Å; G65-N321 WeakPolarHBondContact CA-OD1 3.39Å; G65-N321 PolarHBondContact N-OD1 3.3Å; G317-N321 PolarHBondContact O-ND2 2.81Å; Q318-N321 CarbonylContact O-C 3.59Å; Q318-N321 PolarHBondContact O-N 2.98Å; Q318-N321 VanDerWaalsContact OE1-CB 3.31Å; N321-F324 PolarHBondContact O-N 2.91Å; N321-E325 WeakPolarHBondContact O-CB 3.2Å; N321-E325 PolarHBondContact O-N 3.5Å
322A96.4Very high94Very high3 Ų320.9 Ų20.93%0.02512%0.118CC..Hα-helixtrans-66-47.7172.200000110.4Q318 M320 F324 E325 D326 R352 I359Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 2.71Å; M320-A322 PolarHBondContact O-N 3.49Å; A322-F324 PolarHBondContact O-N 2.8Å; A322-E325 CarbonylContact O-C 3.5Å; A322-E325 WeakPolarHBondContact O-CA 3.27Å; A322-E325 WeakPolarHBondContact O-CB 3.36Å; A322-E325 PolarHBondContact O-N 3.3Å; A322-D326 PolarHBondContact O-N 3.3Å; A322-R352 PolarHBondContact O-NH2 2.9Å; A322-I359 HydrophobicContact CB-CG2 4.26Å
323G98Very high94.3Very high0 Ų020.1 Ų20.10%011%0.113CC..Hα-helixtrans-61.8-24.9175.100000114.4V22 G319 M320 D326 C327V22-G323 WeakPolarHBondContact CG1-O 3.46Å; G319-G323 PolarHBondContact O-N 2.98Å; M320-G323 PolarHBondContact O-N 3.06Å; G323-D326 WeakPolarHBondContact O-CB 3.33Å; G323-C327 PolarHBondContact O-SG 3.42Å; G323-C327 VanDerWaalsContact O-SG 3.4Å
324F98.5Very high94.6Very high0 Ų020.1 Ų20.10%011%0.112CC..Hα-helixtrans-78.7-37.6172.3-84.317.2000112L21 V22 L25 L61 A68 L69 L117 L121 M320 N321 A322 D326 C327L21-F324 HydrophobicContact CB-CE1 3.77Å; L21-F324 HydrophobicContact CB-CZ 4.13Å; V22-F324 HydrophobicContact CG2-CD1 4.25Å; L25-F324 HydrophobicContact CB-CE1 4.33Å; L25-F324 HydrophobicContact CD2-CB 3.91Å; L25-F324 HydrophobicContact CD2-CD1 3.44Å; L25-F324 VanDerWaalsContact CD2-CD1 3.44Å; L25-F324 HydrophobicContact CD2-CD2 3.87Å; L25-F324 HydrophobicContact CD2-CE1 3.83Å; L25-F324 HydrophobicContact CD2-CE2 4.25Å; L25-F324 HydrophobicContact CD2-CG 3.46Å; L25-F324 VanDerWaalsContact CD2-CG 3.46Å; L25-F324 HydrophobicContact CD2-CZ 4.23Å; L61-F324 HydrophobicContact CD1-CE2 4.47Å; A68-F324 HydrophobicContact CB-CB 3.65Å; A68-F324 HydrophobicContact CB-CD2 4.34Å; A68-F324 HydrophobicContact CB-CG 4.31Å; A68-F324 WeakPolarHBondContact CB-O 3.18Å; L69-F324 HydrophobicContact CD1-CE2 4.25Å; L69-F324 HydrophobicContact CD2-CE2 3.9Å; L69-F324 HydrophobicContact CG-CD2 4.27Å; L69-F324 HydrophobicContact CG-CE2 3.97Å; L117-F324 HydrophobicContact CD2-CE2 4.4Å; L117-F324 HydrophobicContact CD2-CZ 4.19Å; L121-F324 HydrophobicContact CD1-CE1 4.45Å; L121-F324 HydrophobicContact CD1-CZ 3.83Å; M320-F324 HydrophobicContact CG-CD1 4.22Å; M320-F324 HydrophobicContact CG-CD2 4.49Å; M320-F324 HydrophobicContact CG-CE1 3.99Å; M320-F324 HydrophobicContact CG-CE2 4.24Å; M320-F324 HydrophobicContact CG-CG 4.48Å; M320-F324 HydrophobicContact CG-CZ 3.99Å; M320-F324 WeakPolarHBondContact O-CB 3.48Å; M320-F324 WeakPolarHBondContact O-CD1 3.32Å; M320-F324 WeakPolarHBondContact O-CG 3.46Å; M320-F324 PolarHBondContact O-N 3.13Å; M320-F324 HydrophobicContact SD-CE2 4.25Å; M320-F324 HydrophobicContact SD-CZ 4.2Å; N321-F324 PolarHBondContact O-N 2.91Å; A322-F324 PolarHBondContact O-N 2.8Å; F324-D326 VanDerWaalsContact C-N 3.31Å; F324-C327 WeakPolarHBondContact O-CB 3.37Å; F324-C327 PolarHBondContact O-N 2.76Å
325E98.3Very high95Very high34 Ų3422.2 Ų22.216%0.15912%0.121CC..Hα-helixtrans-65.6-34.4173.5-175.1177-110.100111.8R64 N321 A322 C327 I328 V329 R352R64-E325 VanDerWaalsContact CD-OE1 3.23Å; R64-E325 WeakPolarHBondContact CD-OE1 3.48Å; R64-E325 IonicContact CZ-OE1 3.34Å; R64-E325 IonicContact CZ-OE2 3.74Å; R64-E325 IonicContact NE-OE1 3.11Å; R64-E325 PolarHBondContact NE-OE1 3.42Å; R64-E325 VanDerWaalsContact NH1-CD 3.32Å; R64-E325 IonicContact NH1-OE1 3.95Å; R64-E325 PolarHBondContact NH1-OE1 2.61Å; R64-E325 VanDerWaalsContact NH1-OE1 3.1Å; R64-E325 IonicContact NH1-OE2 3.07Å; R64-E325 PolarHBondContact NH1-OE2 2.98Å; N321-E325 WeakPolarHBondContact O-CB 3.2Å; N321-E325 PolarHBondContact O-N 3.5Å; A322-E325 CarbonylContact O-C 3.5Å; A322-E325 WeakPolarHBondContact O-CA 3.27Å; A322-E325 WeakPolarHBondContact O-CB 3.36Å; A322-E325 PolarHBondContact O-N 3.3Å; E325-C327 PolarHBondContact O-N 3.23Å; E325-I328 WeakPolarHBondContact O-CB 3.5Å; E325-I328 PolarHBondContact O-N 3.47Å; E325-V329 HydrophobicContact CG-CG2 4.21Å; E325-V329 WeakPolarHBondContact O-CG2 3.5Å; E325-V329 PolarHBondContact O-N 2.94Å; E325-R352 IonicContact OE2-CZ 3.39Å; E325-R352 IonicContact OE2-NH1 2.99Å; E325-R352 PolarHBondContact OE2-NH1 2.97Å; E325-R352 IonicContact OE2-NH2 3.17Å; E325-R352 PolarHBondContact OE2-NH2 3.19Å
326D98.7Very high95.6Very high0 Ų027 Ų270%014%0.144CC..Hα-helixtrans-48.9-46.1170.1-68.9-0000111.7M305 G306 H310 A322 G323 F324 I328 V329 F330 Y348 R352M305-D326 HydrophobicContact CB-CB 4.4Å; G306-D326 PolarHBondContact N-OD2 2.82Å; H310-D326 IonicContact CD2-OD2 3.83Å; H310-D326 IonicContact CE1-OD1 3.79Å; H310-D326 IonicContact CE1-OD2 3.14Å; H310-D326 IonicContact NE2-OD1 3.51Å; H310-D326 PolarHBondContact NE2-OD1 2.84Å; H310-D326 IonicContact NE2-OD2 2.69Å; H310-D326 PolarHBondContact NE2-OD2 2.76Å; A322-D326 PolarHBondContact O-N 3.3Å; G323-D326 WeakPolarHBondContact O-CB 3.33Å; F324-D326 VanDerWaalsContact C-N 3.31Å; D326-I328 VanDerWaalsContact C-N 3.33Å; D326-I328 PolarHBondContact O-N 3.44Å; D326-V329 PolarHBondContact O-N 3.04Å; D326-F330 VanDerWaalsContact O-CB 3.28Å; D326-F330 WeakPolarHBondContact O-CB 3.02Å; D326-F330 PolarHBondContact O-N 3.49Å; D326-Y348 VanDerWaalsContact CB-OH 3.26Å; D326-Y348 WeakPolarHBondContact CB-OH 3.05Å; D326-R352 IonicContact OD1-CZ 3.24Å; D326-R352 IonicContact OD1-NE 2.81Å; D326-R352 PolarHBondContact OD1-NE 3.42Å; D326-R352 IonicContact OD1-NH2 2.86Å; D326-R352 PolarHBondContact OD1-NH2 3.43Å; D326-R352 VanDerWaalsContact OD1-NH2 3.17Å
327C98.6Very high96.4Very high1 Ų128.1 Ų28.11%0.00715%0.15CC..Hα-helixtrans-62.4-40.6179.7-50.30000111.7L25 N26 F29 G323 F324 E325 D331L25-C327 HydrophobicContact CD2-CB 4.37Å; L25-C327 HydrophobicContact CG-CB 4.48Å; N26-C327 WeakPolarHBondContact OD1-CB 3.43Å; N26-C327 PolarHBondContact OD1-SG 2.97Å; F29-C327 HydrophobicContact CD2-CB 3.68Å; F29-C327 HydrophobicContact CE2-CB 3.59Å; F29-C327 HydrophobicContact CG-CB 4.41Å; F29-C327 HydrophobicContact CZ-CB 4.25Å; G323-C327 PolarHBondContact O-SG 3.42Å; G323-C327 VanDerWaalsContact O-SG 3.4Å; F324-C327 WeakPolarHBondContact O-CB 3.37Å; F324-C327 PolarHBondContact O-N 2.76Å; E325-C327 PolarHBondContact O-N 3.23Å; C327-D331 VanDerWaalsContact O-CB 3.29Å; C327-D331 WeakPolarHBondContact O-CB 3.37Å; C327-D331 PolarHBondContact O-N 2.71Å
328I98.3Very high96.9Very high15 Ų1533.6 Ų33.68%0.07717%0.172CC..Hα-helixtrans-66.7-51.5177.9-54.6176.2000109.9F29 T67 A68 E325 D326 F330 D331 E332F29-I328 HydrophobicContact CZ-CG1 4.22Å; T67-I328 HydrophobicContact CG2-CD1 4.02Å; A68-I328 HydrophobicContact CB-CD1 3.7Å; A68-I328 HydrophobicContact CB-CG1 3.77Å; E325-I328 WeakPolarHBondContact O-CB 3.5Å; E325-I328 PolarHBondContact O-N 3.47Å; D326-I328 VanDerWaalsContact C-N 3.33Å; D326-I328 PolarHBondContact O-N 3.44Å; I328-F330 VanDerWaalsContact C-N 3.26Å; I328-F330 PolarHBondContact O-N 2.87Å; I328-D331 WeakPolarHBondContact O-CB 3.3Å; I328-D331 PolarHBondContact O-N 3.25Å; I328-D331 VanDerWaalsContact O-N 3.11Å; I328-E332 HydrophobicContact CG2-CG 4.37Å; I328-E332 WeakPolarHBondContact O-CG 3.46Å; I328-E332 PolarHBondContact O-N 3.34Å
329V98.5Very high97.4Very high27 Ų2735.1 Ų35.116%0.16418%0.179CC..Hα-helixtrans-60.5-41.5-177.5172.80000110.1E325 D326 E332 I333 Y348 V351E325-V329 HydrophobicContact CG-CG2 4.21Å; E325-V329 WeakPolarHBondContact O-CG2 3.5Å; E325-V329 PolarHBondContact O-N 2.94Å; D326-V329 PolarHBondContact O-N 3.04Å; V329-E332 PolarHBondContact O-N 3.21Å; V329-I333 HydrophobicContact CG1-CD1 3.93Å; V329-I333 WeakPolarHBondContact O-CD1 3.37Å; V329-I333 VanDerWaalsContact O-CG1 3.25Å; V329-I333 WeakPolarHBondContact O-CG1 3.28Å; V329-I333 PolarHBondContact O-N 2.96Å; V329-Y348 HydrophobicContact CG1-CD2 4.29Å; V329-Y348 HydrophobicContact CG1-CE2 4.38Å; V329-V351 HydrophobicContact CG1-CG2 3.81Å
330F98.7Very high97.6Very high4 Ų438.1 Ų38.12%0.01819%0.191CC..Hα-helixtrans-64-44.4175.2-168.2-95.7000112.2F30 L165 V303 M305 D326 I328 E332 I333 M334 V344 L345 Y348F30-F330 HydrophobicContact CE1-CD1 4.28Å; F30-F330 AromaticContact CE1-CE1 3.62Å; F30-F330 HydrophobicContact CE1-CE1 3.62Å; F30-F330 AromaticContact CZ-CD1 3.91Å; F30-F330 HydrophobicContact CZ-CD1 3.91Å; F30-F330 AromaticContact CZ-CE1 3.45Å; F30-F330 HydrophobicContact CZ-CE1 3.45Å; F30-F330 VanDerWaalsContact CZ-CE1 3.45Å; F30-F330 HydrophobicContact CZ-CZ 4.29Å; L165-F330 HydrophobicContact CD2-CZ 4.36Å; V303-F330 HydrophobicContact CG1-CE2 4.32Å; V303-F330 HydrophobicContact CG1-CZ 4.47Å; V303-F330 HydrophobicContact CG2-CE2 4.33Å; M305-F330 HydrophobicContact CE-CB 3.61Å; M305-F330 HydrophobicContact CE-CD1 3.72Å; M305-F330 HydrophobicContact CE-CD2 3.21Å; M305-F330 HydrophobicContact CE-CE1 4.18Å; M305-F330 HydrophobicContact CE-CE2 3.71Å; M305-F330 HydrophobicContact CE-CG 3.21Å; M305-F330 HydrophobicContact CE-CZ 4.16Å; D326-F330 VanDerWaalsContact O-CB 3.28Å; D326-F330 WeakPolarHBondContact O-CB 3.02Å; D326-F330 PolarHBondContact O-N 3.49Å; I328-F330 VanDerWaalsContact C-N 3.26Å; I328-F330 PolarHBondContact O-N 2.87Å; F330-E332 VanDerWaalsContact C-N 3.32Å; F330-E332 PolarHBondContact O-N 2.66Å; F330-I333 PolarHBondContact O-N 2.95Å; F330-M334 HydrophobicContact CD1-CG 3.69Å; F330-M334 HydrophobicContact CE1-CG 3.44Å; F330-M334 VanDerWaalsContact CE1-CG 3.44Å; F330-M334 HydrophobicContact CE1-SD 3.72Å; F330-M334 HydrophobicContact CZ-CG 4.14Å; F330-M334 HydrophobicContact CZ-SD 4.02Å; F330-M334 WeakPolarHBondContact O-CB 3.35Å; F330-M334 VanDerWaalsContact O-CG 3.24Å; F330-M334 WeakPolarHBondContact O-CG 3.22Å; F330-M334 PolarHBondContact O-N 3.4Å; F330-V344 HydrophobicContact CD2-CG1 4.27Å; F330-V344 HydrophobicContact CE1-CG1 4.39Å; F330-V344 HydrophobicContact CE2-CG1 3.62Å; F330-V344 HydrophobicContact CZ-CG1 3.69Å; F330-L345 HydrophobicContact CE2-CD2 3.54Å; F330-L345 HydrophobicContact CZ-CD2 3.65Å; F330-Y348 HydrophobicContact CB-CD2 3.99Å; F330-Y348 HydrophobicContact CB-CE2 3.95Å; F330-Y348 HydrophobicContact CD2-CD1 4.1Å; F330-Y348 AromaticContact CD2-CD2 3.68Å; F330-Y348 HydrophobicContact CD2-CD2 3.68Å; F330-Y348 HydrophobicContact CD2-CE2 4.17Å; F330-Y348 AromaticContact CD2-CG 3.63Å; F330-Y348 HydrophobicContact CD2-CG 3.63Å; F330-Y348 HydrophobicContact CE2-CG 4.28Å; F330-Y348 HydrophobicContact CG-CD2 4.35Å
331D98.4Very high97.8Very high27 Ų2737.7 Ų37.714%0.14419%0.189CC..Hα-helixtrans-59.4-40.9175.5-17559.3000112.2F29 R33 C327 I328 M334 N335F29-D331 HydrophobicContact CD1-CB 3.77Å; F29-D331 HydrophobicContact CE1-CB 4.03Å; R33-D331 IonicContact CZ-OD1 3.17Å; R33-D331 IonicContact NE-OD1 3.35Å; R33-D331 PolarHBondContact NE-OD1 2.84Å; R33-D331 PolarHBondContact NH2-O 3.22Å; R33-D331 IonicContact NH2-OD1 3.78Å; R33-D331 PolarHBondContact NH2-OD1 3.32Å; R33-D331 IonicContact NH2-OD2 2.74Å; C327-D331 VanDerWaalsContact O-CB 3.29Å; C327-D331 WeakPolarHBondContact O-CB 3.37Å; C327-D331 PolarHBondContact O-N 2.71Å; I328-D331 WeakPolarHBondContact O-CB 3.3Å; I328-D331 PolarHBondContact O-N 3.25Å; I328-D331 VanDerWaalsContact O-N 3.11Å; D331-M334 PolarHBondContact O-N 2.85Å; D331-N335 PolarHBondContact O-N 2.9Å; D331-N335 VanDerWaalsContact O-N 3.17Å; D331-N335 PolarHBondContact O-ND2 3.48Å
332E98.3Very high97.9Very high95 Ų9540.7 Ų40.744%0.44421%0.21SC..Hα-helixtrans-64.1-43176.2-71.8176.6176.300112.1I328 V329 F330 N335 Q336I328-E332 HydrophobicContact CG2-CG 4.37Å; I328-E332 WeakPolarHBondContact O-CG 3.46Å; I328-E332 PolarHBondContact O-N 3.34Å; V329-E332 PolarHBondContact O-N 3.21Å; F330-E332 VanDerWaalsContact C-N 3.32Å; F330-E332 PolarHBondContact O-N 2.66Å; E332-N335 WeakPolarHBondContact O-CB 3.24Å; E332-N335 PolarHBondContact O-N 2.82Å; E332-Q336 WeakPolarHBondContact O-CG 3.08Å; E332-Q336 PolarHBondContact O-N 3.09Å; E332-Q336 VanDerWaalsContact O-N 3.09Å
333I98.6Very high98Very high6 Ų642 Ų423%0.03122%0.221CC..Hα-helixtrans-69.1-38.6178.1-63.7166.3000110.9V329 F330 N335 Q336 F337 V344 E347 Y348 V351V329-I333 HydrophobicContact CG1-CD1 3.93Å; V329-I333 WeakPolarHBondContact O-CD1 3.37Å; V329-I333 VanDerWaalsContact O-CG1 3.25Å; V329-I333 WeakPolarHBondContact O-CG1 3.28Å; V329-I333 PolarHBondContact O-N 2.96Å; F330-I333 PolarHBondContact O-N 2.95Å; I333-N335 PolarHBondContact O-N 2.94Å; I333-Q336 PolarHBondContact O-N 3.17Å; I333-F337 HydrophobicContact CG2-CD2 3.69Å; I333-F337 HydrophobicContact CG2-CE2 4.02Å; I333-F337 WeakPolarHBondContact O-CD2 3.39Å; I333-F337 PolarHBondContact O-N 3.13Å; I333-V344 HydrophobicContact CG2-CB 4.26Å; I333-V344 HydrophobicContact CG2-CG1 3.91Å; I333-V344 HydrophobicContact CG2-CG2 4.36Å; I333-E347 HydrophobicContact CD1-CG 4.33Å; I333-E347 HydrophobicContact CG1-CG 4.48Å; I333-E347 HydrophobicContact CG2-CB 4.02Å; I333-E347 HydrophobicContact CG2-CG 3.96Å; I333-Y348 HydrophobicContact CD1-CD2 4.12Å; I333-V351 HydrophobicContact CD1-CG2 3.54Å
334M98.1Very high98Very high1 Ų142 Ų421%0.00522%0.221CC..Hα-helixtrans-55-40.6173-76.8-72.6-71.900111.6F35 F330 D331 N338 E339 F341 V344F35-M334 HydrophobicContact CE2-CE 3.6Å; F35-M334 HydrophobicContact CZ-CE 3.51Å; F330-M334 HydrophobicContact CD1-CG 3.69Å; F330-M334 HydrophobicContact CE1-CG 3.44Å; F330-M334 VanDerWaalsContact CE1-CG 3.44Å; F330-M334 HydrophobicContact CE1-SD 3.72Å; F330-M334 HydrophobicContact CZ-CG 4.14Å; F330-M334 HydrophobicContact CZ-SD 4.02Å; F330-M334 WeakPolarHBondContact O-CB 3.35Å; F330-M334 VanDerWaalsContact O-CG 3.24Å; F330-M334 WeakPolarHBondContact O-CG 3.22Å; F330-M334 PolarHBondContact O-N 3.4Å; D331-M334 PolarHBondContact O-N 2.85Å; M334-N338 PolarHBondContact O-N 3.07Å; M334-E339 HydrophobicContact CE-CB 3.72Å; M334-E339 HydrophobicContact CE-CG 3.78Å; M334-E339 PolarHBondContact O-N 3.29Å; M334-F341 HydrophobicContact CE-CD1 4.33Å; M334-F341 HydrophobicContact CE-CE1 3.59Å; M334-F341 HydrophobicContact SD-CD1 4.03Å; M334-F341 HydrophobicContact SD-CE1 3.82Å; M334-V344 HydrophobicContact CG-CG1 4Å; M334-V344 HydrophobicContact SD-CB 4.19Å; M334-V344 HydrophobicContact SD-CG1 3.66Å; M334-V344 HydrophobicContact SD-CG2 3.8Å
335N97.4Very high98Very high93 Ų9342 Ų4250%0.49722%0.221SC..Hα-helixtrans-66.2-43.6172.5-73.9-33.2000112.8R33 D331 E332 I333 F337 N338R33-N335 PolarHBondContact NH1-OD1 2.86Å; R33-N335 VanDerWaalsContact NH1-OD1 3.16Å; R33-N335 PolarHBondContact NH2-ND2 2.86Å; R33-N335 VanDerWaalsContact NH2-ND2 3.15Å; R33-N335 PolarHBondContact NH2-OD1 2.7Å; D331-N335 PolarHBondContact O-N 2.9Å; D331-N335 VanDerWaalsContact O-N 3.17Å; D331-N335 PolarHBondContact O-ND2 3.48Å; E332-N335 WeakPolarHBondContact O-CB 3.24Å; E332-N335 PolarHBondContact O-N 2.82Å; I333-N335 PolarHBondContact O-N 2.94Å; N335-F337 VanDerWaalsContact C-N 3.28Å; N335-F337 PolarHBondContact O-N 2.89Å; N335-N338 PolarHBondContact O-N 2.83Å
336Q97.9Very high98Very high121 Ų12142.9 Ų42.957%0.56523%0.229SC*.Hα-helixtrans-62.7-35-176.9-71.2169.922.500112.9E332 I333E332-Q336 WeakPolarHBondContact O-CG 3.08Å; E332-Q336 PolarHBondContact O-N 3.09Å; E332-Q336 VanDerWaalsContact O-N 3.09Å; I333-Q336 PolarHBondContact O-N 3.17Å
337F97.9Very high98Very high76 Ų7644.7 Ų44.733%0.33324%0.238SC..THydrogen-bonded Turntrans-10818.4-176.6-67.2-84.8000113.4I333 N335 E339 D340 A343 V344 E347I333-F337 HydrophobicContact CG2-CD2 3.69Å; I333-F337 HydrophobicContact CG2-CE2 4.02Å; I333-F337 WeakPolarHBondContact O-CD2 3.39Å; I333-F337 PolarHBondContact O-N 3.13Å; N335-F337 VanDerWaalsContact C-N 3.28Å; N335-F337 PolarHBondContact O-N 2.89Å; F337-E339 PolarHBondContact O-N 3.44Å; F337-E339 VanDerWaalsContact O-N 3.11Å; F337-D340 WeakPolarHBondContact O-CB 3.41Å; F337-D340 PolarHBondContact O-N 3.39Å; F337-A343 HydrophobicContact CB-CB 4.12Å; F337-A343 HydrophobicContact CD1-CB 3.47Å; F337-A343 VanDerWaalsContact CD1-CB 3.47Å; F337-A343 HydrophobicContact CE1-CB 4.11Å; F337-A343 HydrophobicContact CG-CB 3.93Å; F337-V344 HydrophobicContact CB-CG2 3.72Å; F337-E347 HydrophobicContact CE2-CB 4.04Å; F337-E347 HydrophobicContact CE2-CG 3.72Å; F337-E347 HydrophobicContact CZ-CB 4.34Å; F337-E347 HydrophobicContact CZ-CG 4.13Å
338N96.1Very high98.1Very high145 Ų14544.7 Ų44.778%0.77524%0.237SC*.THydrogen-bonded Turntrans48.242178.2-57.4-48.4000113M334 N335 D340M334-N338 PolarHBondContact O-N 3.07Å; N335-N338 PolarHBondContact O-N 2.83Å; N338-D340 PolarHBondContact O-N 2.95Å; N338-D340 VanDerWaalsContact O-N 3.16Å
339E96.1Very high98.1Very high55 Ų5544.3 Ų44.326%0.25724%0.236SC..THydrogen-bonded Turntrans62.420.7176.2-45.1-173.1151.900115.1K12 R33 F35 M334 F337 F341K12-E339 PolarHBondContact NZ-O 3.41Å; R33-E339 IonicContact CZ-OE1 2.72Å; R33-E339 IonicContact NH1-OE1 2.86Å; R33-E339 PolarHBondContact NH1-OE1 3.23Å; F35-E339 HydrophobicContact CZ-CB 4.26Å; F35-E339 HydrophobicContact CZ-CG 4.43Å; M334-E339 HydrophobicContact CE-CB 3.72Å; M334-E339 HydrophobicContact CE-CG 3.78Å; M334-E339 PolarHBondContact O-N 3.29Å; F337-E339 PolarHBondContact O-N 3.44Å; F337-E339 VanDerWaalsContact O-N 3.11Å; E339-F341 PolarHBondContact O-N 3.03Å
340D97.5Very high98.1Very high78 Ų7850.6 Ų50.642%0.41726%0.257SS..  trans-75.796.9168.6-179.52.5000110.3F337 N338 S342 A343 V344F337-D340 WeakPolarHBondContact O-CB 3.41Å; F337-D340 PolarHBondContact O-N 3.39Å; N338-D340 PolarHBondContact O-N 2.95Å; N338-D340 VanDerWaalsContact O-N 3.16Å; D340-S342 VanDerWaalsContact CG-OG 3.25Å; D340-S342 PolarHBondContact O-N 2.8Å; D340-S342 VanDerWaalsContact O-N 3.09Å; D340-S342 WeakPolarHBondContact OD1-CB 3.34Å; D340-S342 PolarHBondContact OD1-N 2.69Å; D340-S342 PolarHBondContact OD1-OG 3.35Å; D340-S342 PolarHBondContact OD2-OG 3.49Å; D340-A343 HydrophobicContact CB-CB 4.49Å; D340-A343 PolarHBondContact O-N 3.48Å; D340-V344 VanDerWaalsContact O-CG2 3.28Å; D340-V344 WeakPolarHBondContact O-CG2 3.09Å; D340-V344 PolarHBondContact O-N 3.17Å
341F97.7Very high98Very high10 Ų1052.3 Ų52.34%0.04427%0.268CS..Hα-helixtrans-55.2-29.1-179.9-60.7-33.5000113.6K12 F35 D164 L165 D300 M334 E339 A343 L345K12-F341 HydrophobicContact CD-CE2 3.81Å; K12-F341 HydrophobicContact CD-CZ 4.25Å; F35-F341 HydrophobicContact CE1-CE1 4.47Å; F35-F341 AromaticContact CE1-CZ 3.81Å; F35-F341 HydrophobicContact CE1-CZ 3.81Å; F35-F341 HydrophobicContact CZ-CE1 4.32Å; F35-F341 HydrophobicContact CZ-CZ 4.1Å; D164-F341 HydrophobicContact CB-CE2 4.42Å; L165-F341 HydrophobicContact CB-CD2 4.21Å; L165-F341 HydrophobicContact CB-CE2 3.71Å; L165-F341 HydrophobicContact CB-CZ 3.89Å; L165-F341 HydrophobicContact CD2-CD1 4.28Å; L165-F341 HydrophobicContact CD2-CE1 3.75Å; L165-F341 HydrophobicContact CD2-CE2 4.44Å; L165-F341 HydrophobicContact CD2-CZ 3.86Å; L165-F341 HydrophobicContact CG-CZ 4.44Å; D300-F341 HydrophobicContact CB-CB 4.12Å; D300-F341 WeakPolarHBondContact O-CB 3.06Å; M334-F341 HydrophobicContact CE-CD1 4.33Å; M334-F341 HydrophobicContact CE-CE1 3.59Å; M334-F341 HydrophobicContact SD-CD1 4.03Å; M334-F341 HydrophobicContact SD-CE1 3.82Å; E339-F341 PolarHBondContact O-N 3.03Å; F341-A343 PolarHBondContact O-N 2.93Å; F341-L345 HydrophobicContact CB-CG 4.4Å; F341-L345 WeakPolarHBondContact O-CG 3.46Å; F341-L345 PolarHBondContact O-N 3.44Å; F341-L345 VanDerWaalsContact O-N 3.11Å
342S97.8Very high98Very high64 Ų6451.2 Ų51.245%0.44826%0.262SS..Hα-helixtrans-66.8-26.2178.776.90000112.9D340 P346D340-S342 VanDerWaalsContact CG-OG 3.25Å; D340-S342 PolarHBondContact O-N 2.8Å; D340-S342 VanDerWaalsContact O-N 3.09Å; D340-S342 WeakPolarHBondContact OD1-CB 3.34Å; D340-S342 PolarHBondContact OD1-N 2.69Å; D340-S342 PolarHBondContact OD1-OG 3.35Å; D340-S342 PolarHBondContact OD2-OG 3.49Å; S342-P346 WeakPolarHBondContact O-CD 3.43Å; S342-P346 WeakPolarHBondContact O-CG 3.45Å
343A98.4Very high98Very high30 Ų3047.3 Ų47.325%0.24824%0.244CC..Hα-helixtrans-98.2-38.7174.600000112.5F337 D340 F341 E347F337-A343 HydrophobicContact CB-CB 4.12Å; F337-A343 HydrophobicContact CD1-CB 3.47Å; F337-A343 VanDerWaalsContact CD1-CB 3.47Å; F337-A343 HydrophobicContact CE1-CB 4.11Å; F337-A343 HydrophobicContact CG-CB 3.93Å; D340-A343 HydrophobicContact CB-CB 4.49Å; D340-A343 PolarHBondContact O-N 3.48Å; F341-A343 PolarHBondContact O-N 2.93Å; A343-E347 WeakPolarHBondContact O-CB 2.99Å; A343-E347 PolarHBondContact O-N 2.69Å
344V98.7Very high98Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-62.5-50.4-178.2171.10000111.8F330 I333 M334 F337 D340 E347 Y348F330-V344 HydrophobicContact CD2-CG1 4.27Å; F330-V344 HydrophobicContact CE1-CG1 4.39Å; F330-V344 HydrophobicContact CE2-CG1 3.62Å; F330-V344 HydrophobicContact CZ-CG1 3.69Å; I333-V344 HydrophobicContact CG2-CB 4.26Å; I333-V344 HydrophobicContact CG2-CG1 3.91Å; I333-V344 HydrophobicContact CG2-CG2 4.36Å; M334-V344 HydrophobicContact CG-CG1 4Å; M334-V344 HydrophobicContact SD-CB 4.19Å; M334-V344 HydrophobicContact SD-CG1 3.66Å; M334-V344 HydrophobicContact SD-CG2 3.8Å; F337-V344 HydrophobicContact CB-CG2 3.72Å; D340-V344 VanDerWaalsContact O-CG2 3.28Å; D340-V344 WeakPolarHBondContact O-CG2 3.09Å; D340-V344 PolarHBondContact O-N 3.17Å; V344-E347 PolarHBondContact O-N 3.47Å; V344-Y348 WeakPolarHBondContact O-CB 3.17Å; V344-Y348 PolarHBondContact O-N 3.37Å
345L98.6Very high97.9Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-67.2-42.8-169.9-56.4-166.2000113.1L165 H297 V303 F330 F341 S349L165-L345 HydrophobicContact CD1-CD1 3.8Å; L165-L345 HydrophobicContact CD1-CD2 4.05Å; L165-L345 HydrophobicContact CD1-CG 4.48Å; H297-L345 HydrophobicContact CB-CB 3.7Å; H297-L345 HydrophobicContact CB-CD1 4.39Å; H297-L345 PolarHBondContact ND1-O 3.34Å; V303-L345 HydrophobicContact CB-CD2 4Å; V303-L345 HydrophobicContact CG1-CD2 4.23Å; V303-L345 HydrophobicContact CG2-CD2 4.48Å; F330-L345 HydrophobicContact CE2-CD2 3.54Å; F330-L345 HydrophobicContact CZ-CD2 3.65Å; F341-L345 HydrophobicContact CB-CG 4.4Å; F341-L345 WeakPolarHBondContact O-CG 3.46Å; F341-L345 PolarHBondContact O-N 3.44Å; F341-L345 VanDerWaalsContact O-N 3.11Å; L345-S349 PolarHBondContact O-N 3.33Å; L345-S349 VanDerWaalsContact O-N 3.15Å; L345-S349 PolarHBondContact O-OG 2.9Å
346P98.5Very high97.8Very high52 Ų5248.9 Ų48.934%0.33826%0.256SS..Hα-helixtrans-61.7-42.7172-23.935.2000113.1H297 S342 S349 R350H297-P346 VanDerWaalsContact CE1-CA 3.46Å; H297-P346 WeakPolarHBondContact CE1-CA 3.33Å; S342-P346 WeakPolarHBondContact O-CD 3.43Å; S342-P346 WeakPolarHBondContact O-CG 3.45Å; P346-S349 PolarHBondContact O-N 2.97Å; P346-R350 WeakPolarHBondContact O-CB 3.35Å; P346-R350 PolarHBondContact O-N 3Å
347E98.8Very high97.8Very high39 Ų3945.2 Ų45.218%0.18224%0.239CC..Hα-helixtrans-64.9-43.5179.7-178.564.7-176.400111.6I333 F337 A343 V344 S349 R350 V351I333-E347 HydrophobicContact CD1-CG 4.33Å; I333-E347 HydrophobicContact CG1-CG 4.48Å; I333-E347 HydrophobicContact CG2-CB 4.02Å; I333-E347 HydrophobicContact CG2-CG 3.96Å; F337-E347 HydrophobicContact CE2-CB 4.04Å; F337-E347 HydrophobicContact CE2-CG 3.72Å; F337-E347 HydrophobicContact CZ-CB 4.34Å; F337-E347 HydrophobicContact CZ-CG 4.13Å; A343-E347 WeakPolarHBondContact O-CB 2.99Å; A343-E347 PolarHBondContact O-N 2.69Å; V344-E347 PolarHBondContact O-N 3.47Å; E347-S349 VanDerWaalsContact C-N 3.31Å; E347-S349 PolarHBondContact O-N 3.03Å; E347-R350 WeakPolarHBondContact O-CB 3.19Å; E347-R350 PolarHBondContact O-N 3.2Å; E347-R350 IonicContact OE1-CZ 3.76Å; E347-R350 IonicContact OE1-NE 3.36Å; E347-R350 PolarHBondContact OE1-NE 3.33Å; E347-R350 IonicContact OE1-NH2 2.74Å; E347-R350 PolarHBondContact OE1-NH2 3.48Å; E347-R350 IonicContact OE2-CZ 3.41Å; E347-R350 IonicContact OE2-NE 3.74Å; E347-R350 PolarHBondContact OE2-NE 2.81Å; E347-R350 IonicContact OE2-NH2 2.89Å; E347-V351 HydrophobicContact CG-CG1 4.31Å; E347-V351 WeakPolarHBondContact O-CG1 3.25Å; E347-V351 PolarHBondContact O-N 2.87Å; E347-V351 WeakPolarHBondContact OE1-CG1 3.42Å
348Y98.8Very high97.6Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-55.7-46.9174.8175.7-107.3000111.7Y296 V303 M305 D326 V329 F330 I333 V344 R350 V351 R352Y296-Y348 HydrophobicContact CD2-CE1 4.18Å; V303-Y348 HydrophobicContact CG2-CD1 3.54Å; V303-Y348 HydrophobicContact CG2-CE1 3.66Å; M305-Y348 HydrophobicContact CE-CE1 4.32Å; M305-Y348 HydrophobicContact CG-CE1 4.3Å; D326-Y348 VanDerWaalsContact CB-OH 3.26Å; D326-Y348 WeakPolarHBondContact CB-OH 3.05Å; V329-Y348 HydrophobicContact CG1-CD2 4.29Å; V329-Y348 HydrophobicContact CG1-CE2 4.38Å; F330-Y348 HydrophobicContact CB-CD2 3.99Å; F330-Y348 HydrophobicContact CB-CE2 3.95Å; F330-Y348 HydrophobicContact CD2-CD1 4.1Å; F330-Y348 AromaticContact CD2-CD2 3.68Å; F330-Y348 HydrophobicContact CD2-CD2 3.68Å; F330-Y348 HydrophobicContact CD2-CE2 4.17Å; F330-Y348 AromaticContact CD2-CG 3.63Å; F330-Y348 HydrophobicContact CD2-CG 3.63Å; F330-Y348 HydrophobicContact CE2-CG 4.28Å; F330-Y348 HydrophobicContact CG-CD2 4.35Å; I333-Y348 HydrophobicContact CD1-CD2 4.12Å; V344-Y348 WeakPolarHBondContact O-CB 3.17Å; V344-Y348 PolarHBondContact O-N 3.37Å; Y348-R350 VanDerWaalsContact C-N 3.31Å; Y348-R350 PolarHBondContact O-N 2.81Å; Y348-V351 PolarHBondContact O-N 3.13Å; Y348-R352 HydrophobicContact CD2-CB 4.09Å; Y348-R352 HydrophobicContact CE2-CB 3.81Å; Y348-R352 HydrophobicContact CE2-CG 3.8Å; Y348-R352 WeakPolarHBondContact O-CB 3.21Å; Y348-R352 PolarHBondContact O-N 3.36Å
349S98.6Very high97.3Very high8 Ų836.6 Ų36.66%0.05620%0.199CC..Hα-helixtrans-63.7-37.9175.9-68.20000112.6Y296 H297 L345 P346 E347 V353Y296-S349 WeakPolarHBondContact CA-OG 3.41Å; Y296-S349 PolarHBondContact N-OG 3.48Å; H297-S349 PolarHBondContact N-OG 2.83Å; H297-S349 VanDerWaalsContact ND1-CB 3.34Å; H297-S349 WeakPolarHBondContact ND1-CB 3.27Å; H297-S349 PolarHBondContact ND1-OG 2.74Å; L345-S349 PolarHBondContact O-N 3.33Å; L345-S349 VanDerWaalsContact O-N 3.15Å; L345-S349 PolarHBondContact O-OG 2.9Å; P346-S349 PolarHBondContact O-N 2.97Å; E347-S349 VanDerWaalsContact C-N 3.31Å; E347-S349 PolarHBondContact O-N 3.03Å; S349-V353 VanDerWaalsContact O-CB 3.23Å; S349-V353 WeakPolarHBondContact O-CB 3.39Å; S349-V353 WeakPolarHBondContact O-CG2 3.29Å; S349-V353 PolarHBondContact O-N 2.87Å
350R98.6Very high97.1Very high158 Ų15834 Ų3460%0.59619%0.187SC*.Hα-helixtrans-64.3-43.9179.7-168.9-166.768.974.3-3.9111.7P346 E347 Y348 P354P346-R350 WeakPolarHBondContact O-CB 3.35Å; P346-R350 PolarHBondContact O-N 3Å; E347-R350 WeakPolarHBondContact O-CB 3.19Å; E347-R350 PolarHBondContact O-N 3.2Å; E347-R350 IonicContact OE1-CZ 3.76Å; E347-R350 IonicContact OE1-NE 3.36Å; E347-R350 PolarHBondContact OE1-NE 3.33Å; E347-R350 IonicContact OE1-NH2 2.74Å; E347-R350 PolarHBondContact OE1-NH2 3.48Å; E347-R350 IonicContact OE2-CZ 3.41Å; E347-R350 IonicContact OE2-NE 3.74Å; E347-R350 PolarHBondContact OE2-NE 2.81Å; E347-R350 IonicContact OE2-NH2 2.89Å; Y348-R350 VanDerWaalsContact C-N 3.31Å; Y348-R350 PolarHBondContact O-N 2.81Å; R350-P354 WeakPolarHBondContact O-CD 3.45Å
351V97.9Very high96.9Very high41 Ų4134.7 Ų34.725%0.24819%0.191CC..Hα-helixtrans-83.8-36-176.1-53.40000112.7V329 I333 E347 Y348V329-V351 HydrophobicContact CG1-CG2 3.81Å; I333-V351 HydrophobicContact CD1-CG2 3.54Å; E347-V351 HydrophobicContact CG-CG1 4.31Å; E347-V351 WeakPolarHBondContact O-CG1 3.25Å; E347-V351 PolarHBondContact O-N 2.87Å; E347-V351 WeakPolarHBondContact OE1-CG1 3.42Å; Y348-V351 PolarHBondContact O-N 3.13Å
352R98.2Very high96.4Very high3 Ų336.3 Ų36.31%0.01120%0.2CC..Hα-helixtrans-91.5-35.9-166.3-169.165-162.5158-10.2114Y296 A322 E325 D326 Y348 D355 D356Y296-R352 HydrophobicContact CE2-CG 4.48Å; A322-R352 PolarHBondContact O-NH2 2.9Å; E325-R352 IonicContact OE2-CZ 3.39Å; E325-R352 IonicContact OE2-NH1 2.99Å; E325-R352 PolarHBondContact OE2-NH1 2.97Å; E325-R352 IonicContact OE2-NH2 3.17Å; E325-R352 PolarHBondContact OE2-NH2 3.19Å; D326-R352 IonicContact OD1-CZ 3.24Å; D326-R352 IonicContact OD1-NE 2.81Å; D326-R352 PolarHBondContact OD1-NE 3.42Å; D326-R352 IonicContact OD1-NH2 2.86Å; D326-R352 PolarHBondContact OD1-NH2 3.43Å; D326-R352 VanDerWaalsContact OD1-NH2 3.17Å; Y348-R352 HydrophobicContact CD2-CB 4.09Å; Y348-R352 HydrophobicContact CE2-CB 3.81Å; Y348-R352 HydrophobicContact CE2-CG 3.8Å; Y348-R352 WeakPolarHBondContact O-CB 3.21Å; Y348-R352 PolarHBondContact O-N 3.36Å; R352-D355 IonicContact NH1-OD2 2.8Å; R352-D355 PolarHBondContact O-N 3.41Å; R352-D355 VanDerWaalsContact O-N 3.14Å; R352-D356 VanDerWaalsContact CG-OD2 3.22Å; R352-D356 WeakPolarHBondContact CG-OD2 3.29Å; R352-D356 IonicContact CZ-OD1 2.77Å; R352-D356 IonicContact NE-OD1 2.72Å; R352-D356 PolarHBondContact NE-OD1 3.49Å; R352-D356 VanDerWaalsContact NE-OD1 3.07Å; R352-D356 IonicContact NE-OD2 3.66Å; R352-D356 PolarHBondContact NE-OD2 2.86Å; R352-D356 IonicContact NH2-OD1 3.22Å; R352-D356 PolarHBondContact NH2-OD1 2.92Å; R352-D356 PolarHBondContact O-N 3.39Å
353V98.5Very high96Very high13 Ų1333.3 Ų33.38%0.07918%0.179CC..Hα-helixtrans-52.2-46.3178.6168.70000112.6Y296 S349 D355 H357Y296-V353 HydrophobicContact CD1-CG2 3.92Å; Y296-V353 HydrophobicContact CD2-CG2 3.56Å; Y296-V353 HydrophobicContact CE1-CG2 3.98Å; Y296-V353 HydrophobicContact CE2-CB 4.29Å; Y296-V353 HydrophobicContact CE2-CG2 3.6Å; Y296-V353 HydrophobicContact CG-CG2 3.71Å; S349-V353 VanDerWaalsContact O-CB 3.23Å; S349-V353 WeakPolarHBondContact O-CB 3.39Å; S349-V353 WeakPolarHBondContact O-CG2 3.29Å; S349-V353 PolarHBondContact O-N 2.87Å; V353-D355 PolarHBondContact O-N 2.76Å; V353-H357 VanDerWaalsContact O-CB 3.25Å; V353-H357 WeakPolarHBondContact O-CB 3.21Å; V353-H357 PolarHBondContact O-CD2 2.85Å; V353-H357 VanDerWaalsContact O-CG 3.25Å; V353-H357 PolarHBondContact O-N 3.22Å
354P98Very high95.6Very high63 Ų6334 Ų3441%0.40918%0.177SC..Hα-helixtrans-59.8-42.5178.9-2535.7000113.8R350 A358R350-P354 WeakPolarHBondContact O-CD 3.45Å; P354-A358 WeakPolarHBondContact O-CB 3.42Å; P354-A358 PolarHBondContact O-N 3.1Å
355D94.9Very high95.1Very high70 Ų7040.5 Ų40.537%0.37420%0.203SC..Hα-helixtrans-70.2-44.2-178.2-73.1-16.6000111.6R352 V353 H357 A358 I359R352-D355 IonicContact NH1-OD2 2.8Å; R352-D355 PolarHBondContact O-N 3.41Å; R352-D355 VanDerWaalsContact O-N 3.14Å; V353-D355 PolarHBondContact O-N 2.76Å; D355-H357 VanDerWaalsContact C-N 3.31Å; D355-H357 PolarHBondContact O-N 3.01Å; D355-A358 PolarHBondContact O-N 3.24Å; D355-I359 PolarHBondContact O-N 2.63Å
356D97.3Very high94.5Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-68.3-32177.5-75.6-25.4000112.2Y296 H310 R352 I359 A360Y296-D356 HydrophobicContact CE2-CB 4.17Å; Y296-D356 WeakPolarHBondContact CE2-OD2 3.34Å; Y296-D356 VanDerWaalsContact OH-CB 3.31Å; Y296-D356 WeakPolarHBondContact OH-CB 3.44Å; H310-D356 HydrophobicContact CB-CB 4.03Å; H310-D356 IonicContact CD2-OD1 2.95Å; H310-D356 IonicContact CD2-OD2 2.79Å; H310-D356 PolarHBondContact CD2-OD2 2.75Å; H310-D356 IonicContact CE1-OD1 2.97Å; H310-D356 IonicContact CE1-OD2 2.63Å; H310-D356 IonicContact CG-OD2 2.76Å; H310-D356 IonicContact ND1-OD1 3.9Å; H310-D356 IonicContact NE2-OD1 3.9Å; H310-D356 PolarHBondContact NE2-OD1 3.18Å; H310-D356 IonicContact NE2-OD2 3.73Å; H310-D356 PolarHBondContact NE2-OD2 2.9Å; R352-D356 VanDerWaalsContact CG-OD2 3.22Å; R352-D356 WeakPolarHBondContact CG-OD2 3.29Å; R352-D356 IonicContact CZ-OD1 2.77Å; R352-D356 IonicContact NE-OD1 2.72Å; R352-D356 PolarHBondContact NE-OD1 3.49Å; R352-D356 VanDerWaalsContact NE-OD1 3.07Å; R352-D356 IonicContact NE-OD2 3.66Å; R352-D356 PolarHBondContact NE-OD2 2.86Å; R352-D356 IonicContact NH2-OD1 3.22Å; R352-D356 PolarHBondContact NH2-OD1 2.92Å; R352-D356 PolarHBondContact O-N 3.39Å; D356-I359 VanDerWaalsContact O-CG2 3.26Å; D356-I359 WeakPolarHBondContact O-CG2 3.48Å; D356-A360 WeakPolarHBondContact O-CB 3.31Å; D356-A360 PolarHBondContact O-N 2.79Å; D356-A360 VanDerWaalsContact O-N 3.16Å
357H97.4Very high93.9Very high44 Ų4440.1 Ų40.120%0.20420%0.197CC..Hα-helixtrans-69.8-39.7172.2-78-155000111.3K292 C293 V353 D355 A360 D361K292-H357 HydrophobicContact CD-CB 4.46Å; K292-H357 VanDerWaalsContact CE-O 3.3Å; K292-H357 WeakPolarHBondContact CE-O 3.35Å; K292-H357 PolarHBondContact NZ-O 3.14Å; C293-H357 PolarHBondContact O-NE2 3.27Å; V353-H357 VanDerWaalsContact O-CB 3.25Å; V353-H357 WeakPolarHBondContact O-CB 3.21Å; V353-H357 PolarHBondContact O-CD2 2.85Å; V353-H357 VanDerWaalsContact O-CG 3.25Å; V353-H357 PolarHBondContact O-N 3.22Å; D355-H357 VanDerWaalsContact C-N 3.31Å; D355-H357 PolarHBondContact O-N 3.01Å; H357-A360 PolarHBondContact O-N 3.49Å; H357-D361 PolarHBondContact O-N 3.48Å
358A93.9Very high93.3Very high21 Ų2142.2 Ų42.217%0.17421%0.212CC..Hα-helixtrans-64.6-42.2177.500000111.8P354 D355 A360 D361 L362 F403P354-A358 WeakPolarHBondContact O-CB 3.42Å; P354-A358 PolarHBondContact O-N 3.1Å; D355-A358 PolarHBondContact O-N 3.24Å; A358-A360 VanDerWaalsContact C-N 3.34Å; A358-A360 PolarHBondContact O-N 2.99Å; A358-D361 PolarHBondContact O-N 2.67Å; A358-L362 WeakPolarHBondContact O-CG 3.44Å; A358-L362 PolarHBondContact O-N 3.36Å; A358-F403 HydrophobicContact CB-CD1 4.44Å; A358-F403 HydrophobicContact CB-CE1 3.58Å; A358-F403 HydrophobicContact CB-CZ 4.04Å
359I89.3Confident92.4Very high20 Ų2043.6 Ų43.610%0.10322%0.218CC..Hα-helixtrans-67.6-36.4177.7-163.959.4000112.2V312 Y316 Q318 A322 D355 D356 L362 A363V312-I359 HydrophobicContact CG2-CG2 4.41Å; Y316-I359 HydrophobicContact CD1-CD1 3.67Å; Y316-I359 HydrophobicContact CE1-CD1 4Å; Q318-I359 HydrophobicContact CB-CD1 3.91Å; Q318-I359 HydrophobicContact CB-CG1 3.76Å; Q318-I359 HydrophobicContact CG-CD1 3.96Å; Q318-I359 HydrophobicContact CG-CG1 4.38Å; A322-I359 HydrophobicContact CB-CG2 4.26Å; D355-I359 PolarHBondContact O-N 2.63Å; D356-I359 VanDerWaalsContact O-CG2 3.26Å; D356-I359 WeakPolarHBondContact O-CG2 3.48Å; I359-L362 HydrophobicContact CD1-CD1 4.36Å; I359-L362 PolarHBondContact O-N 2.69Å; I359-A363 WeakPolarHBondContact O-CB 3.49Å; I359-A363 PolarHBondContact O-N 3.28Å
360A91.9Very high91.5Very high0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-64-40.3172.800000111.9K292 V312 D356 H357 A358 A363 M364K292-A360 HydrophobicContact CG-CB 4.33Å; V312-A360 HydrophobicContact CG2-CB 3.99Å; D356-A360 WeakPolarHBondContact O-CB 3.31Å; D356-A360 PolarHBondContact O-N 2.79Å; D356-A360 VanDerWaalsContact O-N 3.16Å; H357-A360 PolarHBondContact O-N 3.49Å; A358-A360 VanDerWaalsContact C-N 3.34Å; A358-A360 PolarHBondContact O-N 2.99Å; A360-A363 PolarHBondContact O-N 2.85Å; A360-M364 WeakPolarHBondContact O-CG 3.49Å; A360-M364 PolarHBondContact O-N 3.2Å
361D92.1Very high90.6Very high93 Ų9337.1 Ų37.150%0.49720%0.195SC..Hα-helixtrans-67.1-43.2175.2-72.9-29.6000112.1K292 H357 A358 A363 M364 Y365K292-D361 IonicContact NZ-OD1 2.67Å; K292-D361 PolarHBondContact NZ-OD1 3.27Å; K292-D361 IonicContact NZ-OD2 2.68Å; K292-D361 PolarHBondContact NZ-OD2 3.36Å; H357-D361 PolarHBondContact O-N 3.48Å; A358-D361 PolarHBondContact O-N 2.67Å; D361-A363 VanDerWaalsContact C-N 3.3Å; D361-A363 PolarHBondContact O-N 3.5Å; D361-M364 PolarHBondContact O-N 3.33Å; D361-Y365 VanDerWaalsContact O-CB 3.29Å; D361-Y365 WeakPolarHBondContact O-CB 3.46Å; D361-Y365 PolarHBondContact O-N 3.29Å
362L88.8Confident89.4Confident44 Ų4436.4 Ų36.423%0.2319%0.191CC..Hα-helixtrans-60.8-40.2175.8-74.7170.7000111.7A358 I359 Y365 N366 I405A358-L362 WeakPolarHBondContact O-CG 3.44Å; A358-L362 PolarHBondContact O-N 3.36Å; I359-L362 HydrophobicContact CD1-CD1 4.36Å; I359-L362 PolarHBondContact O-N 2.69Å; L362-Y365 PolarHBondContact O-N 3.12Å; L362-N366 WeakPolarHBondContact O-CB 3.41Å; L362-N366 PolarHBondContact O-N 2.76Å; L362-I405 HydrophobicContact CD1-CD1 3.8Å
363A88.9Confident87.5Confident0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-67.6-38.8176.700000112.5V312 V313 I359 A360 D361 Y367V312-A363 HydrophobicContact CG1-CB 3.29Å; V313-A363 HydrophobicContact CG2-CB 3.85Å; I359-A363 WeakPolarHBondContact O-CB 3.49Å; I359-A363 PolarHBondContact O-N 3.28Å; A360-A363 PolarHBondContact O-N 2.85Å; D361-A363 VanDerWaalsContact C-N 3.3Å; D361-A363 PolarHBondContact O-N 3.5Å; A363-Y367 WeakPolarHBondContact O-CB 3.25Å; A363-Y367 PolarHBondContact O-N 3.17Å
364M90.4Very high85.3Confident45 Ų4542.4 Ų42.422%0.22224%0.237CC..Hα-helixtrans-69.3-37.4173.8-74.9-61.1-57.700112.3I193 V313 A360 D361 Y367 V368I193-M364 HydrophobicContact CG2-CE 3.79Å; I193-M364 HydrophobicContact CG2-SD 3.95Å; V313-M364 HydrophobicContact CB-SD 4.41Å; V313-M364 HydrophobicContact CG1-SD 3.88Å; V313-M364 HydrophobicContact CG2-CG 4.18Å; V313-M364 HydrophobicContact CG2-SD 3.61Å; A360-M364 WeakPolarHBondContact O-CG 3.49Å; A360-M364 PolarHBondContact O-N 3.2Å; D361-M364 PolarHBondContact O-N 3.33Å; M364-Y367 HydrophobicContact CE-CD1 4.21Å; M364-Y367 WeakPolarHBondContact O-CB 3.39Å; M364-Y367 PolarHBondContact O-N 3.17Å; M364-V368 WeakPolarHBondContact O-CG2 3.36Å; M364-V368 PolarHBondContact O-N 2.54Å
365Y88.2Confident82.9Confident136 Ų13642.6 Ų42.653%0.53323%0.234SC..Hα-helixtrans-62.9-48.2173.6177.7-96.8000110.6D361 L362 Y367 V368 E369D361-Y365 VanDerWaalsContact O-CB 3.29Å; D361-Y365 WeakPolarHBondContact O-CB 3.46Å; D361-Y365 PolarHBondContact O-N 3.29Å; L362-Y365 PolarHBondContact O-N 3.12Å; Y365-Y367 VanDerWaalsContact C-N 3.28Å; Y365-Y367 PolarHBondContact O-N 3.24Å; Y365-V368 PolarHBondContact O-N 3.38Å; Y365-V368 VanDerWaalsContact O-N 3.1Å; Y365-E369 HydrophobicContact CD1-CG 4.09Å; Y365-E369 HydrophobicContact CE1-CG 3.6Å; Y365-E369 WeakPolarHBondContact CE1-OE1 3.39Å; Y365-E369 HydrophobicContact CE2-CG 4.34Å; Y365-E369 VanDerWaalsContact CZ-CD 3.49Å; Y365-E369 PolarHBondContact O-N 3.48Å; Y365-E369 PolarHBondContact OH-OE1 3.48Å
366N84.8Confident80.6Confident23 Ų2343.1 Ų43.112%0.12323%0.231CC..Hα-helixtrans-61.9-37.6177-16554.1000111.9F315 Y316 L362 E369 V370 S385F315-N366 HydrophobicContact CB-CB 4.47Å; F315-N366 PolarHBondContact O-ND2 3.48Å; Y316-N366 HydrophobicContact CD2-CB 4.46Å; L362-N366 WeakPolarHBondContact O-CB 3.41Å; L362-N366 PolarHBondContact O-N 2.76Å; N366-E369 PolarHBondContact O-N 2.68Å; N366-V370 VanDerWaalsContact O-CB 3.27Å; N366-V370 WeakPolarHBondContact O-CB 3.27Å; N366-V370 WeakPolarHBondContact O-CG2 3.08Å; N366-V370 PolarHBondContact O-N 2.95Å; N366-S385 PolarHBondContact OD1-OG 3.49Å
367Y87.6Confident77.8Confident22 Ų2248.1 Ų48.19%0.08627%0.266CS..Hα-helixtrans-56.6-51.3170.9168.5-109.3000111.8I193 P194 H195 F315 A363 M364 Y365 E369 V370 F371I193-Y367 HydrophobicContact CB-CE1 4.17Å; I193-Y367 HydrophobicContact CD1-CD2 4.02Å; I193-Y367 HydrophobicContact CD1-CE2 3.78Å; I193-Y367 HydrophobicContact CG2-CD1 4.46Å; I193-Y367 HydrophobicContact CG2-CE1 4.14Å; P194-Y367 WeakPolarHBondContact CD-OH 3.47Å; H195-Y367 HydrophobicContact CB-CE2 4.03Å; H195-Y367 AromaticContact CE1-CE2 3.98Å; H195-Y367 AromaticContact CG-CE2 3.75Å; H195-Y367 AromaticContact ND1-CE2 3.44Å; H195-Y367 WeakPolarHBondContact ND1-CE2 3.34Å; H195-Y367 AromaticContact ND1-CZ 3.53Å; H195-Y367 PolarHBondContact ND1-OH 3.36Å; F315-Y367 VanDerWaalsContact CD2-CB 3.49Å; F315-Y367 AromaticContact CD2-CD2 3.7Å; F315-Y367 HydrophobicContact CD2-CD2 3.7Å; F315-Y367 AromaticContact CD2-CG 3.95Å; F315-Y367 HydrophobicContact CD2-CG 3.95Å; F315-Y367 HydrophobicContact CE1-CD2 4.19Å; F315-Y367 AromaticContact CE2-CD2 3.21Å; F315-Y367 HydrophobicContact CE2-CD2 3.21Å; F315-Y367 HydrophobicContact CE2-CE2 4Å; F315-Y367 AromaticContact CE2-CG 3.84Å; F315-Y367 HydrophobicContact CE2-CG 3.84Å; F315-Y367 HydrophobicContact CG-CD2 4.32Å; F315-Y367 AromaticContact CZ-CD2 3.49Å; F315-Y367 HydrophobicContact CZ-CD2 3.49Å; F315-Y367 VanDerWaalsContact CZ-CD2 3.49Å; F315-Y367 HydrophobicContact CZ-CE2 4.01Å; F315-Y367 HydrophobicContact CZ-CG 4.5Å; A363-Y367 WeakPolarHBondContact O-CB 3.25Å; A363-Y367 PolarHBondContact O-N 3.17Å; M364-Y367 HydrophobicContact CE-CD1 4.21Å; M364-Y367 WeakPolarHBondContact O-CB 3.39Å; M364-Y367 PolarHBondContact O-N 3.17Å; Y365-Y367 VanDerWaalsContact C-N 3.28Å; Y365-Y367 PolarHBondContact O-N 3.24Å; Y367-E369 PolarHBondContact O-N 3.02Å; Y367-V370 PolarHBondContact O-N 3.49Å; Y367-F371 AromaticContact CD2-CD2 3.41Å; Y367-F371 HydrophobicContact CD2-CD2 3.41Å; Y367-F371 VanDerWaalsContact CD2-CD2 3.41Å; Y367-F371 AromaticContact CD2-CE2 3.63Å; Y367-F371 HydrophobicContact CD2-CE2 3.63Å; Y367-F371 AromaticContact CE2-CD2 3.5Å; Y367-F371 HydrophobicContact CE2-CD2 3.5Å; Y367-F371 AromaticContact CE2-CE2 3.88Å; Y367-F371 HydrophobicContact CE2-CE2 3.88Å; Y367-F371 HydrophobicContact CE2-CG 4.47Å; Y367-F371 HydrophobicContact CG-CD2 4.36Å; Y367-F371 WeakPolarHBondContact O-CD2 3.45Å; Y367-F371 PolarHBondContact O-N 2.75Å; Y367-F371 VanDerWaalsContact O-N 3.17Å
368V85.9Confident75.2Confident83 Ų8349.2 Ų49.250%0.50328%0.279SS..Hα-helixtrans-62.8-43.7179.1173.40000111M364 Y365 S372M364-V368 WeakPolarHBondContact O-CG2 3.36Å; M364-V368 PolarHBondContact O-N 2.54Å; Y365-V368 PolarHBondContact O-N 3.38Å; Y365-V368 VanDerWaalsContact O-N 3.1Å; V368-S372 WeakPolarHBondContact O-CB 3.42Å; V368-S372 PolarHBondContact O-N 3.36Å
369E79.8Confident72.5Confident28 Ų2851.7 Ų51.713%0.13131%0.306CS..Hα-helixtrans-59.6-53.5177.6-75.7-161.2149.400111.7Y365 N366 Y367 F371 S372 L381 S385Y365-E369 HydrophobicContact CD1-CG 4.09Å; Y365-E369 HydrophobicContact CE1-CG 3.6Å; Y365-E369 WeakPolarHBondContact CE1-OE1 3.39Å; Y365-E369 HydrophobicContact CE2-CG 4.34Å; Y365-E369 VanDerWaalsContact CZ-CD 3.49Å; Y365-E369 PolarHBondContact O-N 3.48Å; Y365-E369 PolarHBondContact OH-OE1 3.48Å; N366-E369 PolarHBondContact O-N 2.68Å; Y367-E369 PolarHBondContact O-N 3.02Å; E369-F371 PolarHBondContact O-N 2.96Å; E369-S372 PolarHBondContact O-N 2.96Å; E369-L381 WeakPolarHBondContact O-CD2 3.33Å; E369-S385 WeakPolarHBondContact OE2-CB 3.5Å; E369-S385 PolarHBondContact OE2-OG 3.13Å
370V78.4Confident70.1Confident16 Ų1655.8 Ų55.810%0.09733%0.327CS..Hα-helixtrans-56.2-40.9-176.5164.70000111.6M225 N366 Y367 W376M225-V370 HydrophobicContact CE-CB 4.28Å; M225-V370 HydrophobicContact CE-CG1 3.2Å; M225-V370 HydrophobicContact CE-CG2 4.03Å; M225-V370 HydrophobicContact SD-CG1 4.14Å; N366-V370 VanDerWaalsContact O-CB 3.27Å; N366-V370 WeakPolarHBondContact O-CB 3.27Å; N366-V370 WeakPolarHBondContact O-CG2 3.08Å; N366-V370 PolarHBondContact O-N 2.95Å; Y367-V370 PolarHBondContact O-N 3.49Å; V370-W376 PolarHBondContact O-NE1 3.44Å
371F80.9Confident67.8Low15 Ų1556.9 Ų56.97%0.06633%0.333CS..THydrogen-bonded Turntrans-105.514.6-173.1-57.6-68000115.1H195 N222 M225 F241 F315 Y367 E369 P373H195-F371 AromaticContact CD2-CE1 3.95Å; H195-F371 AromaticContact CE1-CG 3.8Å; H195-F371 AromaticContact NE2-CD1 3.38Å; H195-F371 WeakPolarHBondContact NE2-CD1 3.38Å; H195-F371 AromaticContact NE2-CD2 3.87Å; H195-F371 AromaticContact NE2-CE1 3.73Å; H195-F371 AromaticContact NE2-CG 3.45Å; H195-F371 WeakPolarHBondContact NE2-CG 3.23Å; N222-F371 CarbonylContact O-C 3.47Å; N222-F371 VanDerWaalsContact O-CA 3.26Å; N222-F371 WeakPolarHBondContact O-CA 3.14Å; M225-F371 HydrophobicContact CB-CE1 3.7Å; M225-F371 HydrophobicContact CB-CZ 3.81Å; F241-F371 HydrophobicContact CB-CZ 4Å; F315-F371 AromaticContact CD1-CE2 3.88Å; F315-F371 HydrophobicContact CD1-CE2 3.88Å; F315-F371 HydrophobicContact CD1-CZ 4.44Å; F315-F371 AromaticContact CE1-CE2 3.38Å; F315-F371 HydrophobicContact CE1-CE2 3.38Å; F315-F371 AromaticContact CE1-CZ 3.82Å; F315-F371 HydrophobicContact CE1-CZ 3.82Å; F315-F371 AromaticContact CZ-CE2 3.82Å; F315-F371 HydrophobicContact CZ-CE2 3.82Å; F315-F371 HydrophobicContact CZ-CZ 4.48Å; Y367-F371 AromaticContact CD2-CD2 3.41Å; Y367-F371 HydrophobicContact CD2-CD2 3.41Å; Y367-F371 VanDerWaalsContact CD2-CD2 3.41Å; Y367-F371 AromaticContact CD2-CE2 3.63Å; Y367-F371 HydrophobicContact CD2-CE2 3.63Å; Y367-F371 AromaticContact CE2-CD2 3.5Å; Y367-F371 HydrophobicContact CE2-CD2 3.5Å; Y367-F371 AromaticContact CE2-CE2 3.88Å; Y367-F371 HydrophobicContact CE2-CE2 3.88Å; Y367-F371 HydrophobicContact CE2-CG 4.47Å; Y367-F371 HydrophobicContact CG-CD2 4.36Å; Y367-F371 WeakPolarHBondContact O-CD2 3.45Å; Y367-F371 PolarHBondContact O-N 2.75Å; Y367-F371 VanDerWaalsContact O-N 3.17Å; E369-F371 PolarHBondContact O-N 2.96Å; F371-P373 VanDerWaalsContact O-CD 3.3Å; F371-P373 WeakPolarHBondContact O-CD 3.24Å
372S71.8Confident65.4Low25 Ų2555 Ų5518%0.17533%0.325CS..  trans-88.5113.1-179.91760000112.6V368 E369 A374 L375V368-S372 WeakPolarHBondContact O-CB 3.42Å; V368-S372 PolarHBondContact O-N 3.36Å; E369-S372 PolarHBondContact O-N 2.96Å; S372-A374 VanDerWaalsContact C-N 3.26Å; S372-A374 PolarHBondContact O-N 3.3Å; S372-L375 PolarHBondContact O-N 2.76Å
373P58.9Low63.1Low73 Ų7358 Ų5847%0.47434%0.34SS..Hα-helixtrans-60.1-33.1178.7-25.136.6000114.3N222 T223 F371 L375N222-P373 WeakPolarHBondContact ND2-CB 3.29Å; N222-P373 WeakPolarHBondContact OD1-CA 3.26Å; T223-P373 HydrophobicContact CG2-CG 4.34Å; F371-P373 VanDerWaalsContact O-CD 3.3Å; F371-P373 WeakPolarHBondContact O-CD 3.24Å; P373-L375 VanDerWaalsContact C-N 3.32Å; P373-L375 PolarHBondContact O-N 3.5Å
374A51.3Low60.6Low69 Ų6962.4 Ų62.457%0.5736%0.36SS*.Hα-helixtrans-73.5-23.2-176.400000113.1S372 S377S372-A374 VanDerWaalsContact C-N 3.26Å; S372-A374 PolarHBondContact O-N 3.3Å; A374-S377 PolarHBondContact O-OG 3.09Å
375L49.4Very low58.2Low68 Ų6861.2 Ų61.236%0.35636%0.356SS..Hα-helixtrans-89.3-26.6-179.7-61.1173.5000111.8S372 P373 S378 L381S372-L375 PolarHBondContact O-N 2.76Å; P373-L375 VanDerWaalsContact C-N 3.32Å; P373-L375 PolarHBondContact O-N 3.5Å; L375-S378 PolarHBondContact O-N 3.26Å; L375-S378 PolarHBondContact O-OG 2.8Å; L375-L381 HydrophobicContact CB-CD1 3.35Å; L375-L381 HydrophobicContact CD1-CD1 4.34Å; L375-L381 HydrophobicContact CG-CD1 4.41Å
376W44.6Very low55.9Low81 Ų8156.3 Ų56.331%0.30734%0.339SS..Hα-helixtrans-66.7-35.5173.2-83.883.5000113.5P220 N222 V370 S378 G379 L381 V382P220-W376 HydrophobicContact CB-CH2 3.99Å; P220-W376 HydrophobicContact CB-CZ2 4.02Å; P220-W376 HydrophobicContact CG-CH2 4.31Å; N222-W376 WeakPolarHBondContact OD1-CB 3.39Å; V370-W376 PolarHBondContact O-NE1 3.44Å; W376-S378 PolarHBondContact O-N 2.99Å; W376-G379 PolarHBondContact O-N 2.91Å; W376-L381 HydrophobicContact CD2-CD2 4.36Å; W376-L381 HydrophobicContact CG-CD2 4.1Å; W376-V382 HydrophobicContact CH2-CG2 4.38Å
377S40.2Very low53.5Low105 Ų10558.1 Ų58.173%0.73435%0.347SS*.THydrogen-bonded Turntrans-67.3-16.7179.654.10000114.1A374A374-S377 PolarHBondContact O-OG 3.09Å
378S41.6Very low51.3Low67 Ų6758.2 Ų58.247%0.46935%0.352SS..THydrogen-bonded Turntrans-93.20.7179.364.50000114.7L375 W376 L380L375-S378 PolarHBondContact O-N 3.26Å; L375-S378 PolarHBondContact O-OG 2.8Å; W376-S378 PolarHBondContact O-N 2.99Å; S378-L380 PolarHBondContact O-N 3.44Å; S378-L380 VanDerWaalsContact O-N 3.11Å
379G37Very low49Very low72 Ų7255 Ų5574%0.74234%0.336SS*.THydrogen-bonded Turntrans69.72.9174.600000116.1W376W376-G379 PolarHBondContact O-N 2.91Å
380L39.3Very low46.7Very low106 Ų10659.8 Ų59.856%0.55536%0.356SS*.  trans-82.8-11.8-172.8-110.485.5000115.3S378S378-L380 PolarHBondContact O-N 3.44Å; S378-L380 VanDerWaalsContact O-N 3.11Å
381L44.5Very low44.5Very low23 Ų2362 Ų6212%0.1237%0.37CS..Hα-helixtrans-91.6-40-143.6-14483.6000117.8E369 L375 W376 I383 S385E369-L381 WeakPolarHBondContact O-CD2 3.33Å; L375-L381 HydrophobicContact CB-CD1 3.35Å; L375-L381 HydrophobicContact CD1-CD1 4.34Å; L375-L381 HydrophobicContact CG-CD1 4.41Å; W376-L381 HydrophobicContact CD2-CD2 4.36Å; W376-L381 HydrophobicContact CG-CD2 4.1Å; L381-I383 PolarHBondContact O-N 2.87Å; L381-S385 PolarHBondContact O-N 3.32Å
382V41.5Very low42.6Very low53 Ų5363.3 Ų63.332%0.32138%0.377SS..Hα-helixtrans-71.2-26.9-171.2-178.50000111.1I90 W376 L386I90-V382 HydrophobicContact CG1-CG1 4.45Å; I90-V382 HydrophobicContact CG2-CG1 4.37Å; W376-V382 HydrophobicContact CH2-CG2 4.38Å; V382-L386 HydrophobicContact CG1-CD1 3.97Å; V382-L386 WeakPolarHBondContact O-CB 3.1Å; V382-L386 WeakPolarHBondContact O-CD1 3.35Å; V382-L386 WeakPolarHBondContact O-CG 3.39Å
383I39.2Very low40.5Very low107 Ų10766.8 Ų66.855%0.54940%0.401SS..Hα-helixtrans-88.1-45-178.7-59.1179.1000110.5L381 L386 E387L381-I383 PolarHBondContact O-N 2.87Å; I383-L386 CarbonylContact O-C 3.42Å; I383-L386 PolarHBondContact O-N 3.01Å; I383-E387 VanDerWaalsContact CG2-CD 3.48Å; I383-E387 HydrophobicContact CG2-CG 3.7Å; I383-E387 WeakPolarHBondContact CG2-OE2 3.28Å; I383-E387 WeakPolarHBondContact O-CA 3.47Å; I383-E387 WeakPolarHBondContact O-CB 3.39Å; I383-E387 VanDerWaalsContact O-CG 3.24Å; I383-E387 WeakPolarHBondContact O-CG 3.47Å; I383-E387 PolarHBondContact O-N 3.2Å
384H38Very low39Very low94 Ų9469.8 Ų69.844%0.43541%0.412SS..Hα-helixtrans-69.7-37.2-176.2-94.2124.6000115.2L386 E387 A388H384-L386 VanDerWaalsContact C-N 3.28Å; H384-L386 PolarHBondContact O-N 3.17Å; H384-E387 CarbonylContact O-C 2.85Å; H384-E387 PolarHBondContact O-N 3.03Å; H384-A388 WeakPolarHBondContact O-CA 3.48Å; H384-A388 PolarHBondContact O-N 3.05Å
385S39.8Very low37.9Very low19 Ų1976 Ų7613%0.13343%0.426CS..THydrogen-bonded Turntrans-73.2-25.8178.2-154.10000111.4N366 E369 L381N366-S385 PolarHBondContact OD1-OG 3.49Å; E369-S385 WeakPolarHBondContact OE2-CB 3.5Å; E369-S385 PolarHBondContact OE2-OG 3.13Å; L381-S385 PolarHBondContact O-N 3.32Å
386L39.6Very low36.9Very low33 Ų3375.5 Ų75.517%0.17342%0.424CS..THydrogen-bonded Turntrans-87.2-28.9173.5-61.8-175.8000113.5R88 I90 I100 V382 I383 H384 A388R88-L386 VanDerWaalsContact CD-CD2 3.47Å; R88-L386 PolarHBondContact NH1-O 3.45Å; I90-L386 HydrophobicContact CD1-CD1 3.75Å; I90-L386 HydrophobicContact CG1-CD1 4.15Å; I100-L386 HydrophobicContact CD1-CD1 3.43Å; I100-L386 VanDerWaalsContact CD1-CD1 3.43Å; V382-L386 HydrophobicContact CG1-CD1 3.97Å; V382-L386 WeakPolarHBondContact O-CB 3.1Å; V382-L386 WeakPolarHBondContact O-CD1 3.35Å; V382-L386 WeakPolarHBondContact O-CG 3.39Å; I383-L386 CarbonylContact O-C 3.42Å; I383-L386 PolarHBondContact O-N 3.01Å; H384-L386 VanDerWaalsContact C-N 3.28Å; H384-L386 PolarHBondContact O-N 3.17Å; L386-A388 VanDerWaalsContact C-N 3.34Å
387E34.6Very low36Very low62 Ų6276.8 Ų76.829%0.2944%0.444SS..SBendtrans-893.9171.5-72.1-160.9133.300112.8I383 H384 G389 K390 T391I383-E387 VanDerWaalsContact CG2-CD 3.48Å; I383-E387 HydrophobicContact CG2-CG 3.7Å; I383-E387 WeakPolarHBondContact CG2-OE2 3.28Å; I383-E387 WeakPolarHBondContact O-CA 3.47Å; I383-E387 WeakPolarHBondContact O-CB 3.39Å; I383-E387 VanDerWaalsContact O-CG 3.24Å; I383-E387 WeakPolarHBondContact O-CG 3.47Å; I383-E387 PolarHBondContact O-N 3.2Å; H384-E387 CarbonylContact O-C 2.85Å; H384-E387 PolarHBondContact O-N 3.03Å; E387-G389 PolarHBondContact O-N 3.27Å; E387-K390 WeakPolarHBondContact O-CA 3.38Å; E387-K390 WeakPolarHBondContact O-CB 3.28Å; E387-K390 PolarHBondContact O-N 2.82Å; E387-K390 IonicContact OE1-NZ 3.69Å; E387-K390 PolarHBondContact OE1-NZ 3.3Å; E387-T391 PolarHBondContact O-OG1 3.22Å
388A40.3Very low35.4Very low23 Ų2383.1 Ų83.119%0.1945%0.452CS..Hα-helixtrans-50.2-31.617300000109.3H384 L386 K390 T391 H392H384-A388 WeakPolarHBondContact O-CA 3.48Å; H384-A388 PolarHBondContact O-N 3.05Å; L386-A388 VanDerWaalsContact C-N 3.34Å; A388-K390 PolarHBondContact O-N 2.74Å; A388-T391 PolarHBondContact O-N 3.49Å; A388-H392 PolarHBondContact O-CE1 2.83Å; A388-H392 VanDerWaalsContact O-CE1 3.3Å; A388-H392 PolarHBondContact O-ND1 3.19Å
389G37.6Very low34.9Very low17 Ų1788.6 Ų88.618%0.17547%0.467CS..Hα-helixtrans-58.1-12.4170.900000118.6E387 L410E387-G389 PolarHBondContact O-N 3.27Å; G389-L410 VanDerWaalsContact CA-CD2 3.45Å; G389-L410 WeakPolarHBondContact O-CD1 3.41Å
390K31.8Very low34.6Very low127 Ų12792 Ų9255%0.55247%0.474SS*.Hα-helixtrans-102.7-30.2174.3-70.9177.7-174.6169.30113.3E387 A388E387-K390 WeakPolarHBondContact O-CA 3.38Å; E387-K390 WeakPolarHBondContact O-CB 3.28Å; E387-K390 PolarHBondContact O-N 2.82Å; E387-K390 IonicContact OE1-NZ 3.69Å; E387-K390 PolarHBondContact OE1-NZ 3.3Å; A388-K390 PolarHBondContact O-N 2.74Å
391T31.8Very low34.1Very low64 Ų6490.9 Ų90.939%0.39348%0.475SS..Hα-helixtrans-97.711.4-170.132.60000115.5E387 A388 S393E387-T391 PolarHBondContact O-OG1 3.22Å; A388-T391 PolarHBondContact O-N 3.49Å; T391-S393 PolarHBondContact O-N 3.42Å; T391-S393 VanDerWaalsContact O-N 3.13Å
392H41.3Very low33.2Very low42 Ų4296.1 Ų96.119%0.19451%0.512CS..Hα-helixtrans-67.4-8.7-179.3-86.370.4000115.5A388A388-H392 PolarHBondContact O-CE1 2.83Å; A388-H392 VanDerWaalsContact O-CE1 3.3Å; A388-H392 PolarHBondContact O-ND1 3.19Å
393S29.3Very low32.9Very low97 Ų9796.8 Ų96.868%0.67851%0.511SS*.Hα-helixtrans-79.9-18179.668.30000114.5T391T391-S393 PolarHBondContact O-N 3.42Å; T391-S393 VanDerWaalsContact O-N 3.13Å
394L25.7Very low32.5Very low137 Ų137101.1 Ų101.172%0.71753%0.526SS*.Hα-helixtrans-95.4-26.4-169.2-94.1145.3000114.7
395F28.3Very low32.4Very low198 Ų19898.9 Ų98.987%0.86852%0.516SS*.Hα-helixtrans-96.8-23.7-176.7-106.2-93000114.7C397F395-C397 VanDerWaalsContact C-N 3.27Å; F395-C397 PolarHBondContact O-N 3.36Å
396L28.6Very low32.1Very low58 Ų58100.2 Ų100.230%0.30453%0.526SS..G310 helixtrans-76.8-7.7-179.1-85.8159.7000114.3F403L396-F403 HydrophobicContact CD1-CB 3.96Å; L396-F403 HydrophobicContact CD2-CB 3.63Å; L396-F403 HydrophobicContact CD2-CD1 4.47Å; L396-F403 HydrophobicContact CD2-CD2 3.27Å; L396-F403 HydrophobicContact CD2-CE2 4Å; L396-F403 HydrophobicContact CD2-CG 3.54Å; L396-F403 HydrophobicContact CG-CB 4.33Å
397C26.7Very low31.8Very low109 Ų109103.2 Ų103.274%0.73654%0.539SS*.G310 helixtrans-88.1-3.4-174.8-155.30000114.8F395F395-C397 VanDerWaalsContact C-N 3.27Å; F395-C397 PolarHBondContact O-N 3.36Å
398R28Very low31.7Very low237 Ų237108.5 Ų108.589%0.89456%0.556SS**G310 helixtrans-98.5-5.4-174.9-79.8-167.9178.3-163.30.9116.5
399K31Very low31.5Very low183 Ų183108.5 Ų108.580%0.79655%0.553SS**SBendtrans-140.797.2173.9-72.5-171.6178.8-179.80110.8S401K399-S401 PolarHBondContact O-N 2.92Å
400T29Very low31.5Very low144 Ų144109.2 Ų109.288%0.88355%0.552SS**SBendtrans11.786160.950.80000117.4
401S28.6Very low31.5Very low82 Ų82108.3 Ų108.357%0.57355%0.553SS**SBendtrans155.2122.3146.345.60000107.2K399 F403K399-S401 PolarHBondContact O-N 2.92Å; S401-F403 WeakPolarHBondContact O-CD2 3.31Å; S401-F403 PolarHBondContact O-N 3.11Å
402C26.6Very low31.5Very low133 Ų133110.6 Ų110.690%0.89956%0.561SS**  trans-69.299.8-178.3-86.30000110K404C402-K404 PolarHBondContact O-N 3.33Å
403F35.8Very low31Very low66 Ų66114.4 Ų114.429%0.28958%0.581SS.*  trans-65.6126.8165.1-75.4-97.9000109.6A358 L396 S401A358-F403 HydrophobicContact CB-CD1 4.44Å; A358-F403 HydrophobicContact CB-CE1 3.58Å; A358-F403 HydrophobicContact CB-CZ 4.04Å; L396-F403 HydrophobicContact CD1-CB 3.96Å; L396-F403 HydrophobicContact CD2-CB 3.63Å; L396-F403 HydrophobicContact CD2-CD1 4.47Å; L396-F403 HydrophobicContact CD2-CD2 3.27Å; L396-F403 HydrophobicContact CD2-CE2 4Å; L396-F403 HydrophobicContact CD2-CG 3.54Å; L396-F403 HydrophobicContact CG-CB 4.33Å; S401-F403 WeakPolarHBondContact O-CD2 3.31Å; S401-F403 PolarHBondContact O-N 3.11Å
404K30.5Very low31Very low199 Ų199115.5 Ų115.587%0.86558%0.576SS**  trans-99.880.3163.6-83-177.7178173.10108.8C402 S406C402-K404 PolarHBondContact O-N 3.33Å; K404-S406 PolarHBondContact O-N 2.86Å
405I36Very low31.4Very low46 Ų46114.1 Ų114.124%0.23657%0.567CS.*  trans-77.2111.9155.5-62.2173.5000105.2L362 D409L362-I405 HydrophobicContact CD1-CD1 3.8Å; I405-D409 HydrophobicContact CG2-CB 4.27Å
406S33.8Very low31.6Very low48 Ų48108.5 Ų108.534%0.33655%0.547SS..  trans-72.4141.9-179.3179.80000108.6K404 R408 D409K404-S406 PolarHBondContact O-N 2.86Å; S406-R408 PolarHBondContact O-N 3.24Å; S406-R408 VanDerWaalsContact OG-CB 3.31Å; S406-R408 WeakPolarHBondContact OG-CB 3.32Å; S406-R408 WeakPolarHBondContact OG-CG 3.36Å; S406-R408 PolarHBondContact OG-N 3.45Å; S406-R408 VanDerWaalsContact OG-N 3.15Å; S406-D409 PolarHBondContact N-OD2 2.98Å; S406-D409 WeakPolarHBondContact O-CB 3.42Å; S406-D409 PolarHBondContact O-N 3.23Å
407Q32.4Very low31.8Very low95 Ų95112.1 Ų112.144%0.44456%0.564SS.*G310 helixtrans-55.9-9.7165-81.3-171.3-12.900112.9K104 Q107 D409K104-Q407 VanDerWaalsContact CE-OE1 3.28Å; Q107-Q407 PolarHBondContact NE2-O 2.86Å; Q407-D409 VanDerWaalsContact C-N 3.29Å
408R32.7Very low32.2Very low173 Ų173112.4 Ų112.465%0.65355%0.551SS**G310 helixtrans-74.4-15.4171.4-61.2-177.5-173.1179.91.2114H63 S406 L410H63-R408 WeakPolarHBondContact CB-O 3.28Å; S406-R408 PolarHBondContact O-N 3.24Å; S406-R408 VanDerWaalsContact OG-CB 3.31Å; S406-R408 WeakPolarHBondContact OG-CB 3.32Å; S406-R408 WeakPolarHBondContact OG-CG 3.36Å; S406-R408 PolarHBondContact OG-N 3.45Å; S406-R408 VanDerWaalsContact OG-N 3.15Å; R408-L410 VanDerWaalsContact C-N 3.31Å
409D36.5Very low32.5Very low23 Ų23102 Ų10212%0.12352%0.522CS..G310 helixtrans-85-0.7-177.3-62.3-40.6000113.9R64 I405 S406 Q407R64-D409 WeakPolarHBondContact CG-OD1 3.3Å; R64-D409 IonicContact CZ-OD1 3.52Å; R64-D409 IonicContact CZ-OD2 3.08Å; R64-D409 IonicContact NE-OD1 3.35Å; R64-D409 PolarHBondContact NE-OD1 3.24Å; R64-D409 IonicContact NE-OD2 3.1Å; R64-D409 PolarHBondContact NE-OD2 3.48Å; R64-D409 IonicContact NH2-OD1 3.99Å; R64-D409 IonicContact NH2-OD2 2.84Å; R64-D409 PolarHBondContact NH2-OD2 2.68Å; I405-D409 HydrophobicContact CG2-CB 4.27Å; S406-D409 PolarHBondContact N-OD2 2.98Å; S406-D409 WeakPolarHBondContact O-CB 3.42Å; S406-D409 PolarHBondContact O-N 3.23Å; Q407-D409 VanDerWaalsContact C-N 3.29Å
410L37.6Very low32.7Very low32 Ų3294.6 Ų94.617%0.16850%0.497CS..  trans-119.90-167.9-74143.8000114.5Y316 G389 R408Y316-L410 WeakPolarHBondContact OH-CD2 3.44Å; G389-L410 VanDerWaalsContact CA-CD2 3.45Å; G389-L410 WeakPolarHBondContact O-CD1 3.41Å; R408-L410 VanDerWaalsContact C-N 3.31Å

Retrieved 410 of 410 residues in 722.7 ms (Link to these results)

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