A0A096MP14_PAPAN Loading...

G protein subunit alpha transducin 1

AlphaFold DB (P11488), UniProt , Accession A0A096MP14, Species PAPAN (Papio anubis, Olive baboon), Gene GNAT1, Length 350 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
1M39.9Very low71.2Confident242 Ų242104.4 Ų104.4100%1.19265%0.645SS**  0111.60-63.9-178.5-158.700106.5A3M1-A3 PolarHBondContact O-N 3.19Å
2G50.4Low72.7Confident81 Ų81100.4 Ų100.484%0.83562%0.624SS**  trans-65116.717800000108.7G4G2-G4 PolarHBondContact O-N 3.38Å
3A59.3Low73.9Confident102 Ų102105.1 Ų105.184%0.84362%0.623SS**  trans-60.2104.1168.100000106.4M1 A5M1-A3 PolarHBondContact O-N 3.19Å; A3-A5 PolarHBondContact O-N 2.93Å
4G61.8Low75Confident66 Ų66105.9 Ų105.968%0.6862%0.618SS**PPolyproline II helixtrans-60.3132174.900000108.1G2 S6G2-G4 PolarHBondContact O-N 3.38Å; G4-S6 PolarHBondContact O-N 3.34Å
5A69.5Low76.1Confident27 Ų27104.4 Ų104.422%0.22361%0.606CS.*PPolyproline II helixtrans-48.5134.5176.600000109.9A3 E9 K10A3-A5 PolarHBondContact O-N 2.93Å; A5-E9 WeakPolarHBondContact CA-OE2 3.4Å; A5-E9 HydrophobicContact CB-CB 4.17Å; A5-E9 WeakPolarHBondContact CB-OE2 3.18Å; A5-K10 HydrophobicContact CB-CG 4.01Å; A5-K10 WeakPolarHBondContact O-CE 3.4Å
6S81.9Confident76.9Confident50 Ų50105.6 Ų105.635%0.3560%0.604SS.*PPolyproline II helixtrans-60.3158.3-179.681.80000110.1G4 E8 E9 K10G4-S6 PolarHBondContact O-N 3.34Å; S6-E8 PolarHBondContact O-N 3.14Å; S6-E8 PolarHBondContact OG-N 3.43Å; S6-E9 PolarHBondContact N-OE2 3.07Å; S6-E9 VanDerWaalsContact N-OE2 3.07Å; S6-E9 PolarHBondContact O-N 2.97Å; S6-E9 VanDerWaalsContact O-N 3.14Å; S6-E9 WeakPolarHBondContact OG-CG 3.45Å; S6-E9 PolarHBondContact OG-N 2.85Å; S6-K10 PolarHBondContact O-N 3Å
7A82.6Confident77.7Confident85 Ų85107.1 Ų107.170%0.70260%0.602SS**Hα-helixtrans-56.3-34.5176.200000111.7H11A7-H11 WeakPolarHBondContact O-CB 3.42Å; A7-H11 PolarHBondContact O-N 3.07Å
8E82.4Confident78.4Confident164 Ų164108.5 Ų108.577%0.76660%0.6SS**Hα-helixtrans-68.7-43.7175.7-65.1174.6170.700112.2S6 K10 H11 S12S6-E8 PolarHBondContact O-N 3.14Å; S6-E8 PolarHBondContact OG-N 3.43Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 2.98Å; E8-H11 PolarHBondContact O-N 3.04Å; E8-S12 WeakPolarHBondContact O-CB 3.45Å; E8-S12 PolarHBondContact O-N 3.21Å
9E84.4Confident79Confident97 Ų97108.7 Ų108.745%0.45360%0.6SS.*Hα-helixtrans-63.8-38.8175.9-74176.1162.700112A5 S6 R13A5-E9 WeakPolarHBondContact CA-OE2 3.4Å; A5-E9 HydrophobicContact CB-CB 4.17Å; A5-E9 WeakPolarHBondContact CB-OE2 3.18Å; S6-E9 PolarHBondContact N-OE2 3.07Å; S6-E9 VanDerWaalsContact N-OE2 3.07Å; S6-E9 PolarHBondContact O-N 2.97Å; S6-E9 VanDerWaalsContact O-N 3.14Å; S6-E9 WeakPolarHBondContact OG-CG 3.45Å; S6-E9 PolarHBondContact OG-N 2.85Å; E9-R13 WeakPolarHBondContact O-CB 3.35Å; E9-R13 VanDerWaalsContact O-CG 3.27Å; E9-R13 WeakPolarHBondContact O-CG 3.44Å; E9-R13 PolarHBondContact O-N 3.28Å
10K85Confident79.4Confident119 Ų119110.1 Ų110.152%0.51760%0.599SS.*Hα-helixtrans-64-46.2174.3-70.7-179-177.91790111A5 S6 E8 R13 E14A5-K10 HydrophobicContact CB-CG 4.01Å; A5-K10 WeakPolarHBondContact O-CE 3.4Å; S6-K10 PolarHBondContact O-N 3Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 2.98Å; K10-R13 PolarHBondContact O-N 3.37Å; K10-E14 WeakPolarHBondContact O-CG 3.27Å; K10-E14 PolarHBondContact O-N 3.46Å
11H85.8Confident79.7Confident115 Ų115109.4 Ų109.453%0.53259%0.592SS.*Hα-helixtrans-63.1-42.6178.3-170.957.3000112.4A7 E8 E14 L15A7-H11 WeakPolarHBondContact O-CB 3.42Å; A7-H11 PolarHBondContact O-N 3.07Å; E8-H11 PolarHBondContact O-N 3.04Å; H11-E14 PolarHBondContact O-N 3.31Å; H11-L15 WeakPolarHBondContact NE2-CD1 3.49Å; H11-L15 WeakPolarHBondContact O-CB 3.43Å; H11-L15 PolarHBondContact O-N 2.94Å
12S89.1Confident81.9Confident57 Ų57102 Ų10240%0.39956%0.558SS.*Hα-helixtrans-62.2-44.3176.5-165.90000111.8E8 E14 L15 E16E8-S12 WeakPolarHBondContact O-CB 3.45Å; E8-S12 PolarHBondContact O-N 3.21Å; S12-E14 VanDerWaalsContact C-N 3.34Å; S12-E14 PolarHBondContact O-N 2.99Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 2.89Å; S12-E16 WeakPolarHBondContact O-CG 3.25Å; S12-E16 PolarHBondContact O-N 3.28Å
13R88.7Confident83.5Confident161 Ų161101 Ų10161%0.60854%0.541SS*.Hα-helixtrans-64.9-37176.5-73.3175.5-174.6-178.35.3112.6E9 K10 K17E9-R13 WeakPolarHBondContact O-CB 3.35Å; E9-R13 VanDerWaalsContact O-CG 3.27Å; E9-R13 WeakPolarHBondContact O-CG 3.44Å; E9-R13 PolarHBondContact O-N 3.28Å; K10-R13 PolarHBondContact O-N 3.37Å; R13-K17 VanDerWaalsContact O-CB 3.25Å; R13-K17 WeakPolarHBondContact O-CB 3.49Å; R13-K17 PolarHBondContact O-N 3.48Å
14E90Very high84.6Confident117 Ų117100.9 Ų100.955%0.54752%0.523SS..Hα-helixtrans-66.7-39.4174.6-75.1173.1-171.300111.9K10 H11 S12 K18K10-E14 WeakPolarHBondContact O-CG 3.27Å; K10-E14 PolarHBondContact O-N 3.46Å; H11-E14 PolarHBondContact O-N 3.31Å; S12-E14 VanDerWaalsContact C-N 3.34Å; S12-E14 PolarHBondContact O-N 2.99Å; E14-K18 WeakPolarHBondContact O-CG 3.33Å; E14-K18 PolarHBondContact O-N 3.39Å
15L90.3Very high85.7Confident83 Ų83103.7 Ų103.744%0.43552%0.517SS..Hα-helixtrans-64.5-49.5174-98.4153.4000112.1H11 S12 K17 K18 L19H11-L15 WeakPolarHBondContact NE2-CD1 3.49Å; H11-L15 WeakPolarHBondContact O-CB 3.43Å; H11-L15 PolarHBondContact O-N 2.94Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 2.89Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.29Å; L15-K18 PolarHBondContact O-N 3.22Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 2.87Å
16E90.2Very high86.3Confident124 Ų124107.9 Ų107.958%0.57954%0.535SS*.Hα-helixtrans-59.2-41.4176.4-75.7174.7-174.600111.7S12 L19 K20S12-E16 WeakPolarHBondContact O-CG 3.25Å; S12-E16 PolarHBondContact O-N 3.28Å; E16-L19 PolarHBondContact O-N 2.98Å; E16-K20 WeakPolarHBondContact O-CB 3.29Å; E16-K20 PolarHBondContact O-N 2.94Å
17K90.5Very high86.5Confident131 Ų131109.3 Ų109.357%0.5755%0.55SS*.Hα-helixtrans-62-47.6175.6-178.2178.4169.1-177.50111.3R13 L15 K20 E21R13-K17 VanDerWaalsContact O-CB 3.25Å; R13-K17 WeakPolarHBondContact O-CB 3.49Å; R13-K17 PolarHBondContact O-N 3.48Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.29Å; K17-K20 PolarHBondContact O-N 3Å; K17-E21 WeakPolarHBondContact CE-OE1 3.34Å; K17-E21 IonicContact NZ-OE1 3.8Å; K17-E21 WeakPolarHBondContact O-CG 2.84Å; K17-E21 PolarHBondContact O-N 3.46Å
18K89.8Confident86.8Confident132 Ų132111.7 Ų111.757%0.57454%0.541SS*.Hα-helixtrans-61.5-44.8176.7-78.6-178178.4-177.90112.2E14 L15 K20 E21 D22E14-K18 WeakPolarHBondContact O-CG 3.33Å; E14-K18 PolarHBondContact O-N 3.39Å; L15-K18 PolarHBondContact O-N 3.22Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 2.8Å; K18-E21 PolarHBondContact O-N 3.21Å; K18-D22 WeakPolarHBondContact O-CB 3.45Å; K18-D22 VanDerWaalsContact O-CG 3.26Å; K18-D22 PolarHBondContact O-N 3.35Å
19L88.9Confident87.4Confident113 Ų113105.5 Ų105.559%0.59251%0.514SS*.Hα-helixtrans-60.3-39177.5-73.5170.4000112L15 E16 A23L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 2.87Å; E16-L19 PolarHBondContact O-N 2.98Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.37Å; L19-A23 PolarHBondContact O-N 2.95Å
20K87Confident87.9Confident136 Ų136100.9 Ų100.959%0.59149%0.493SS*.Hα-helixtrans-68.6-43.9175.7-168.3-175.8177.7-164.60111.9E16 K17 K18 A23 E24E16-K20 WeakPolarHBondContact O-CB 3.29Å; E16-K20 PolarHBondContact O-N 2.94Å; K17-K20 PolarHBondContact O-N 3Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 2.8Å; K20-A23 PolarHBondContact O-N 3.43Å; K20-E24 WeakPolarHBondContact CE-OE1 3.49Å; K20-E24 IonicContact NZ-OE1 3.15Å; K20-E24 WeakPolarHBondContact O-CB 3.37Å; K20-E24 WeakPolarHBondContact O-CG 3.31Å; K20-E24 PolarHBondContact O-N 3.5Å
21E86.8Confident88.4Confident96 Ų9696.6 Ų96.645%0.44947%0.474SS..Hα-helixtrans-62.2-41.9176.1-73.4172.9173.500111.7K17 K18 E24 K25K17-E21 WeakPolarHBondContact CE-OE1 3.34Å; K17-E21 IonicContact NZ-OE1 3.8Å; K17-E21 WeakPolarHBondContact O-CG 2.84Å; K17-E21 PolarHBondContact O-N 3.46Å; K18-E21 PolarHBondContact O-N 3.21Å; E21-E24 PolarHBondContact O-N 3.37Å; E21-K25 WeakPolarHBondContact O-CB 3.21Å; E21-K25 PolarHBondContact O-N 2.81Å
22D85.7Confident88.9Confident87 Ų8791.1 Ų91.147%0.46545%0.449SS..Hα-helixtrans-65.1-44.2175.8-71.7-23.4000110.9K18 E24 K25 D26K18-D22 WeakPolarHBondContact O-CB 3.45Å; K18-D22 VanDerWaalsContact O-CG 3.26Å; K18-D22 PolarHBondContact O-N 3.35Å; D22-E24 PolarHBondContact O-N 3.24Å; D22-K25 PolarHBondContact O-N 3.47Å; D22-D26 WeakPolarHBondContact O-CB 3.35Å; D22-D26 PolarHBondContact O-N 2.92Å
23A83.9Confident89.4Confident59 Ų5988.4 Ų88.449%0.48843%0.43SS..Hα-helixtrans-63.2-40.7176.100000112.6L19 K20 K25 D26 A27L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 3.37Å; L19-A23 PolarHBondContact O-N 2.95Å; K20-A23 PolarHBondContact O-N 3.43Å; A23-K25 VanDerWaalsContact C-N 3.35Å; A23-D26 PolarHBondContact O-N 2.91Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 2.96Å
24E82.9Confident89.8Confident100 Ų10080.8 Ų80.847%0.46740%0.401SS..Hα-helixtrans-65.8-38.2175.3-75.6177.2-170.200111.8K20 E21 D22 R28K20-E24 WeakPolarHBondContact CE-OE1 3.49Å; K20-E24 IonicContact NZ-OE1 3.15Å; K20-E24 WeakPolarHBondContact O-CB 3.37Å; K20-E24 WeakPolarHBondContact O-CG 3.31Å; K20-E24 PolarHBondContact O-N 3.5Å; E21-E24 PolarHBondContact O-N 3.37Å; D22-E24 PolarHBondContact O-N 3.24Å; E24-R28 WeakPolarHBondContact O-CG 3.33Å; E24-R28 PolarHBondContact O-N 3.17Å
25K83.5Confident90.2Very high125 Ų12575.2 Ų75.254%0.54338%0.375SS..Hα-helixtrans-67.9-44.7175.7-175.8-176.9177.4-174.70111.6E21 D22 A23 A27 R28 T29E21-K25 WeakPolarHBondContact O-CB 3.21Å; E21-K25 PolarHBondContact O-N 2.81Å; D22-K25 PolarHBondContact O-N 3.47Å; A23-K25 VanDerWaalsContact C-N 3.35Å; K25-A27 VanDerWaalsContact C-N 3.34Å; K25-R28 CarbonylContact O-C 3.52Å; K25-R28 PolarHBondContact O-N 3.07Å; K25-R28 VanDerWaalsContact O-N 3.15Å; K25-T29 PolarHBondContact O-N 2.71Å; K25-T29 PolarHBondContact O-OG1 3.15Å
26D83.9Confident90.6Very high115 Ų11571.2 Ų71.262%0.61535%0.354SS*.Hα-helixtrans-64.1-40.5178.7-76.5-11.3000110.9D22 A23 R28 T29D22-D26 WeakPolarHBondContact O-CB 3.35Å; D22-D26 PolarHBondContact O-N 2.92Å; A23-D26 PolarHBondContact O-N 2.91Å; D26-R28 PolarHBondContact O-N 2.73Å; D26-T29 PolarHBondContact O-N 3.39Å
27A85Confident90.9Very high79 Ų7965.9 Ų65.965%0.65333%0.331SS*.Hα-helixtrans-61.4-23.917500000113.8A23 K25A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 2.96Å; K25-A27 VanDerWaalsContact C-N 3.34Å
28R89.7Confident91.1Very high136 Ų13660.6 Ų60.651%0.51331%0.313SS..THydrogen-bonded Turntrans-101.81.6176.2-63.2-177.5-173-165.32.8113.4E24 K25 D26 L190 N191E24-R28 WeakPolarHBondContact O-CG 3.33Å; E24-R28 PolarHBondContact O-N 3.17Å; K25-R28 CarbonylContact O-C 3.52Å; K25-R28 PolarHBondContact O-N 3.07Å; K25-R28 VanDerWaalsContact O-N 3.15Å; D26-R28 PolarHBondContact O-N 2.73Å; R28-L190 HydrophobicContact CB-CD2 4.48Å; R28-L190 WeakPolarHBondContact O-CA 3.38Å; R28-N191 PolarHBondContact O-N 2.74Å
29T93.5Very high91.3Very high33 Ų3356.6 Ų56.620%0.20230%0.297CS..EExtended strand (participates in β ladder)trans-93123.8-178-640000110.2K25 D26 N191 R193K25-T29 PolarHBondContact O-N 2.71Å; K25-T29 PolarHBondContact O-OG1 3.15Å; D26-T29 PolarHBondContact O-N 3.39Å; T29-N191 CarbonylContact C-O 3.55Å; T29-N191 VanDerWaalsContact CA-O 3.31Å; T29-N191 WeakPolarHBondContact CA-O 3.45Å; T29-R193 HydrophobicContact CG2-CG 4.04Å
30V95.1Very high91.7Very high1 Ų151.3 Ų51.31%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-110117.5178.3176.50000109.3L32 L190 N191 F192 R193 T215 I339V30-L32 HydrophobicContact CG1-CD2 3.79Å; V30-L32 HydrophobicContact CG1-CG 4.08Å; V30-L190 HydrophobicContact CG2-CB 4.34Å; V30-L190 HydrophobicContact CG2-CD1 4.02Å; V30-L190 HydrophobicContact CG2-CD2 4.36Å; V30-L190 HydrophobicContact CG2-CG 4.49Å; V30-N191 PolarHBondContact N-O 3.46Å; V30-F192 HydrophobicContact CB-CD1 3.81Å; V30-F192 HydrophobicContact CB-CE1 3.88Å; V30-F192 HydrophobicContact CB-CG 4.45Å; V30-F192 HydrophobicContact CG1-CD1 3.75Å; V30-F192 HydrophobicContact CG1-CE1 3.64Å; V30-F192 HydrophobicContact CG2-CE1 4.35Å; V30-F192 CarbonylContact O-C 3.59Å; V30-F192 WeakPolarHBondContact O-CA 3.4Å; V30-R193 PolarHBondContact O-N 3.36Å; V30-T215 HydrophobicContact CG1-CG2 4Å; V30-I339 HydrophobicContact CG1-CD1 4.15Å; V30-I339 HydrophobicContact CG1-CG2 4.07Å; V30-I339 HydrophobicContact CG2-CG2 4.04Å
31K95.9Very high92.2Very high29 Ų2945.4 Ų45.413%0.12625%0.247CC..EExtended strand (participates in β ladder)trans-90.6109.4173.4-178.1171-179.3-175.50110R193 F195 C210 E212 G213 V214 T215 C216K31-R193 WeakPolarHBondContact CA-O 3.44Å; K31-F195 HydrophobicContact CD-CD2 4.35Å; K31-F195 HydrophobicContact CD-CE2 3.94Å; K31-F195 HydrophobicContact CG-CD2 3.87Å; K31-F195 HydrophobicContact CG-CE2 3.7Å; K31-C210 WeakPolarHBondContact CE-O 3.38Å; K31-C210 PolarHBondContact NZ-O 3.19Å; K31-E212 PolarHBondContact NZ-O 2.92Å; K31-G213 WeakPolarHBondContact CB-O 3.32Å; K31-G213 WeakPolarHBondContact CD-O 3.48Å; K31-V214 HydrophobicContact CD-CG2 4.31Å; K31-T215 PolarHBondContact N-OG1 3.29Å; K31-T215 WeakPolarHBondContact O-CB 3.24Å; K31-T215 PolarHBondContact O-N 2.76Å; K31-C216 PolarHBondContact O-N 3.02Å
32L97.6Very high92.7Very high0 Ų041.2 Ų41.20%023%0.227CC..EExtended strand (participates in β ladder)trans-97.4130173.8-63.2-177000110.5V30 F192 R193 M194 F195 C216 I218 F332 I339V30-L32 HydrophobicContact CG1-CD2 3.79Å; V30-L32 HydrophobicContact CG1-CG 4.08Å; L32-F192 HydrophobicContact CD1-CD1 3.49Å; L32-F192 VanDerWaalsContact CD1-CD1 3.49Å; L32-F192 HydrophobicContact CD1-CE1 3.89Å; L32-F192 HydrophobicContact CG-CD1 3.83Å; L32-F192 HydrophobicContact CG-CE1 4.28Å; L32-R193 PolarHBondContact N-O 3.07Å; L32-M194 HydrophobicContact CB-CB 4.42Å; L32-M194 HydrophobicContact CB-CG 4.43Å; L32-M194 HydrophobicContact CD1-CE 3.72Å; L32-M194 CarbonylContact O-C 3.58Å; L32-M194 WeakPolarHBondContact O-CA 3.04Å; L32-F195 PolarHBondContact O-N 2.81Å; L32-C216 WeakPolarHBondContact CA-O 3.42Å; L32-C216 HydrophobicContact CD2-CB 3.72Å; L32-I218 HydrophobicContact CD1-CD1 4.24Å; L32-F332 HydrophobicContact CD1-CE2 3.63Å; L32-F332 HydrophobicContact CD1-CZ 3.71Å; L32-I339 HydrophobicContact CD2-CD1 3.71Å
33L98.1Very high93.3Very high0 Ų038.6 Ų38.60%022%0.216CC..EExtended strand (participates in β ladder)trans-112.9116.7174.2-177.759.7000110.1L35 F195 V197 C210 F211 V214 C216 I217 I218 F255L33-L35 HydrophobicContact CD1-CD2 4.25Å; L33-L35 HydrophobicContact CD2-CD1 4.02Å; L33-L35 HydrophobicContact CD2-CD2 4.14Å; L33-L35 HydrophobicContact CD2-CG 4.16Å; L33-L35 HydrophobicContact CG-CD1 4.29Å; L33-L35 HydrophobicContact CG-CD2 3.96Å; L33-L35 HydrophobicContact CG-CG 3.92Å; L33-F195 HydrophobicContact CD1-CB 3.81Å; L33-V197 HydrophobicContact CD1-CG1 4.37Å; L33-C210 HydrophobicContact CD1-CB 3.7Å; L33-C210 HydrophobicContact CD2-CB 4.39Å; L33-F211 HydrophobicContact CD2-CD1 3.86Å; L33-F211 HydrophobicContact CD2-CE1 4Å; L33-V214 HydrophobicContact CB-CG1 3.8Å; L33-V214 HydrophobicContact CB-CG2 4.18Å; L33-V214 HydrophobicContact CD2-CG2 4.02Å; L33-C216 PolarHBondContact N-O 3.49Å; L33-I217 HydrophobicContact CB-CG1 4.45Å; L33-I217 WeakPolarHBondContact O-CA 3.46Å; L33-I218 PolarHBondContact O-N 2.99Å; L33-F255 HydrophobicContact CD2-CE1 4.47Å; L33-F255 HydrophobicContact CD2-CZ 4.03Å
34L98.4Very high94Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans-87.2118.5175.8-55.5-170.1000110K42 I45 V46 M194 F195 D196 V197 I218L34-K42 HydrophobicContact CB-CB 4.22Å; L34-K42 HydrophobicContact CB-CD 4.18Å; L34-K42 HydrophobicContact CB-CG 4.21Å; L34-K42 HydrophobicContact CD1-CB 4.26Å; L34-I45 HydrophobicContact CD1-CB 4.4Å; L34-I45 HydrophobicContact CD1-CG2 4.36Å; L34-V46 HydrophobicContact CD1-CG2 3.63Å; L34-M194 HydrophobicContact CD1-CG 4.05Å; L34-M194 HydrophobicContact CD1-SD 3.79Å; L34-M194 HydrophobicContact CD2-CE 4.43Å; L34-M194 HydrophobicContact CD2-CG 4.28Å; L34-M194 HydrophobicContact CD2-SD 4.28Å; L34-M194 HydrophobicContact CG-CG 3.94Å; L34-M194 HydrophobicContact CG-SD 4.19Å; L34-F195 PolarHBondContact N-O 2.87Å; L34-D196 HydrophobicContact CD1-CB 4.41Å; L34-V197 WeakPolarHBondContact O-CG2 3.24Å; L34-I218 WeakPolarHBondContact CA-O 3.31Å; L34-I218 HydrophobicContact CD2-CB 3.7Å; L34-I218 HydrophobicContact CD2-CD1 4Å; L34-I218 HydrophobicContact CD2-CG1 4.32Å; L34-I218 HydrophobicContact CD2-CG2 4.18Å
35L98.3Very high94.7Very high0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-123.7158.8179-63.1179.2000111.4L33 V197 W207 I217 I218 F219 I220 I249 F255L33-L35 HydrophobicContact CD1-CD2 4.25Å; L33-L35 HydrophobicContact CD2-CD1 4.02Å; L33-L35 HydrophobicContact CD2-CD2 4.14Å; L33-L35 HydrophobicContact CD2-CG 4.16Å; L33-L35 HydrophobicContact CG-CD1 4.29Å; L33-L35 HydrophobicContact CG-CD2 3.96Å; L33-L35 HydrophobicContact CG-CG 3.92Å; L35-V197 HydrophobicContact CD2-CG2 3.77Å; L35-W207 HydrophobicContact CD2-CD2 3.82Å; L35-W207 HydrophobicContact CD2-CE3 3.69Å; L35-W207 HydrophobicContact CD2-CG 4.33Å; L35-W207 HydrophobicContact CD2-CH2 4.36Å; L35-W207 HydrophobicContact CD2-CZ2 4.5Å; L35-W207 HydrophobicContact CD2-CZ3 3.97Å; L35-I217 HydrophobicContact CB-CG2 4.38Å; L35-I217 HydrophobicContact CD1-CD1 4.46Å; L35-I217 HydrophobicContact CD1-CG2 3.92Å; L35-I217 HydrophobicContact CG-CG2 4.24Å; L35-I218 PolarHBondContact N-O 2.86Å; L35-F219 HydrophobicContact CB-CD2 3.93Å; L35-F219 HydrophobicContact CB-CE2 4.47Å; L35-F219 CarbonylContact O-C 3.6Å; L35-F219 WeakPolarHBondContact O-CA 3.42Å; L35-I220 PolarHBondContact O-N 3.49Å; L35-I249 HydrophobicContact CD1-CD1 3.83Å; L35-I249 HydrophobicContact CD1-CG1 4.06Å; L35-I249 HydrophobicContact CD1-CG2 3.71Å; L35-F255 HydrophobicContact CD1-CE2 4.33Å
36G98Very high95.4Very high0 Ų027.2 Ų27.20%016%0.158CC..  trans143.4164.1-179.400000112.3K42 G199G36-K42 PolarHBondContact O-NZ 3.06Å; G36-G199 WeakPolarHBondContact O-CA 3.47Å
37A96.8Very high96.1Very high11 Ų1123.1 Ų23.19%0.09113%0.134CC..SBendtrans-60.3168.3-179.200000112.5E39 S40 K42 L245A37-E39 PolarHBondContact O-N 3.28Å; A37-S40 PolarHBondContact O-N 3.46Å; A37-S40 PolarHBondContact O-OG 2.69Å; A37-K42 PolarHBondContact O-NZ 3.17Å; A37-L245 HydrophobicContact CB-CD2 4.4Å
38G94.3Very high96.7Very high20 Ų2019.3 Ų19.321%0.20610%0.103CC..THydrogen-bonded Turntrans-51.1141.7169.500000110.4S40 G199G38-S40 PolarHBondContact O-N 2.92Å; G38-S40 VanDerWaalsContact O-N 3.08Å; G38-G199 PolarHBondContact N-O 3.33Å
39E94.7Very high97Very high48 Ų4812.9 Ų12.922%0.2248%0.079CC..THydrogen-bonded Turntrans65.910.9173.2-41.4-166.3142.200115.7A37 G41 R174 R238 K266A37-E39 PolarHBondContact O-N 3.28Å; E39-G41 PolarHBondContact O-N 3.41Å; E39-R174 IonicContact OE1-CZ 3.61Å; E39-R174 IonicContact OE1-NE 2.8Å; E39-R174 PolarHBondContact OE1-NE 2.69Å; E39-R174 IonicContact OE1-NH2 3.29Å; E39-R174 PolarHBondContact OE1-NH2 3.09Å; E39-R238 IonicContact OE2-CZ 3.5Å; E39-R238 IonicContact OE2-NH1 3.41Å; E39-R238 PolarHBondContact OE2-NH1 3.22Å; E39-R238 IonicContact OE2-NH2 2.74Å; E39-R238 PolarHBondContact OE2-NH2 2.97Å; E39-K266 WeakPolarHBondContact O-CE 3.34Å; E39-K266 PolarHBondContact O-NZ 3.25Å
40S97.5Very high97.2Very high3 Ų313.1 Ų13.12%0.0218%0.077CC..SBendtrans-69.6-18.5177.366.80000114.5A37 G38 I220 N265A37-S40 PolarHBondContact O-N 3.46Å; A37-S40 PolarHBondContact O-OG 2.69Å; G38-S40 PolarHBondContact O-N 2.92Å; G38-S40 VanDerWaalsContact O-N 3.08Å; S40-I220 WeakPolarHBondContact CB-O 3.44Å; S40-I220 VanDerWaalsContact O-CG2 3.27Å; S40-I220 WeakPolarHBondContact O-CG2 3.31Å; S40-I220 PolarHBondContact OG-O 3.22Å; S40-N265 PolarHBondContact O-ND2 3.17Å
41G97.2Very high97.3Very high11 Ų1114 Ų1411%0.1138%0.081CC..SBendtrans112.111.8177.900000115.9E39 T44 I45E39-G41 PolarHBondContact O-N 3.41Å; G41-T44 WeakPolarHBondContact O-CB 3.3Å; G41-T44 PolarHBondContact O-N 3.44Å; G41-I45 PolarHBondContact O-N 3.24Å
42K97.9Very high97.3Very high9 Ų914 Ų144%0.0398%0.082CC..Hα-helixtrans-53.2-56.6178.5-60.8-177.7-64.5-66.20113.7L34 G36 A37 T44 I45 V46 D196 V197 I220L34-K42 HydrophobicContact CB-CB 4.22Å; L34-K42 HydrophobicContact CB-CD 4.18Å; L34-K42 HydrophobicContact CB-CG 4.21Å; L34-K42 HydrophobicContact CD1-CB 4.26Å; G36-K42 PolarHBondContact O-NZ 3.06Å; A37-K42 PolarHBondContact O-NZ 3.17Å; K42-T44 PolarHBondContact O-N 2.92Å; K42-I45 WeakPolarHBondContact O-CA 3.43Å; K42-I45 WeakPolarHBondContact O-CB 3.44Å; K42-I45 PolarHBondContact O-N 3.14Å; K42-V46 PolarHBondContact O-N 3.01Å; K42-V46 VanDerWaalsContact O-N 3.1Å; K42-D196 WeakPolarHBondContact CB-OD1 3.47Å; K42-V197 WeakPolarHBondContact CE-O 3.05Å; K42-I220 HydrophobicContact CB-CD1 4.13Å; K42-I220 HydrophobicContact CG-CB 4.29Å; K42-I220 HydrophobicContact CG-CD1 3.76Å; K42-I220 HydrophobicContact CG-CG1 4.25Å
43S97.7Very high97.3Very high32 Ų3216.2 Ų16.222%0.2249%0.093CC..Hα-helixtrans-64.2-26.3-179.9-44.80000112.4V46 K47 T177 D196S43-V46 PolarHBondContact O-N 2.86Å; S43-K47 VanDerWaalsContact O-CG 3.26Å; S43-K47 WeakPolarHBondContact O-CG 3.47Å; S43-K47 PolarHBondContact O-N 2.82Å; S43-T177 PolarHBondContact OG-OG1 2.89Å; S43-D196 WeakPolarHBondContact CA-OD2 3.46Å; S43-D196 VanDerWaalsContact CB-OD2 3.31Å; S43-D196 WeakPolarHBondContact CB-OD2 3.43Å; S43-D196 PolarHBondContact OG-OD2 3.31Å
44T98Very high97.1Very high25 Ų2519.7 Ų19.715%0.15311%0.109CC..Hα-helixtrans-68-39172-50.20000111.2G41 K42 V46 K47 Q48 L171 A322 T323G41-T44 WeakPolarHBondContact O-CB 3.3Å; G41-T44 PolarHBondContact O-N 3.44Å; K42-T44 PolarHBondContact O-N 2.92Å; T44-V46 VanDerWaalsContact C-N 3.34Å; T44-K47 WeakPolarHBondContact O-CB 3.44Å; T44-K47 PolarHBondContact O-N 2.84Å; T44-Q48 VanDerWaalsContact O-CG 3.32Å; T44-Q48 WeakPolarHBondContact O-CG 3.48Å; T44-Q48 PolarHBondContact O-N 3.44Å; T44-L171 HydrophobicContact CG2-CB 4.43Å; T44-L171 HydrophobicContact CG2-CD2 3.9Å; T44-A322 HydrophobicContact CG2-CB 3.63Å; T44-A322 WeakPolarHBondContact CG2-O 3.32Å; T44-T323 HydrophobicContact CG2-CG2 4.17Å
45I98.2Very high96.9Very high1 Ų127.9 Ų27.91%0.00515%0.153CC..Hα-helixtrans-62.5-40.8172-64.9-58.4000111.4L34 G41 K42 K47 Q48 M49 I220 F263 A322 V328L34-I45 HydrophobicContact CD1-CB 4.4Å; L34-I45 HydrophobicContact CD1-CG2 4.36Å; G41-I45 PolarHBondContact O-N 3.24Å; K42-I45 WeakPolarHBondContact O-CA 3.43Å; K42-I45 WeakPolarHBondContact O-CB 3.44Å; K42-I45 PolarHBondContact O-N 3.14Å; I45-K47 PolarHBondContact O-N 2.96Å; I45-Q48 WeakPolarHBondContact O-CB 3.48Å; I45-Q48 PolarHBondContact O-N 3.24Å; I45-M49 WeakPolarHBondContact O-CG 3.45Å; I45-M49 PolarHBondContact O-N 2.99Å; I45-I220 HydrophobicContact CB-CD1 4.38Å; I45-I220 HydrophobicContact CG1-CD1 3.84Å; I45-F263 HydrophobicContact CD1-CD2 4.42Å; I45-F263 HydrophobicContact CD1-CE2 4.36Å; I45-F263 HydrophobicContact CG1-CD2 4.48Å; I45-A322 HydrophobicContact CD1-CB 3.71Å; I45-A322 HydrophobicContact CG1-CB 4.23Å; I45-V328 HydrophobicContact CD1-CG1 4.13Å; I45-V328 HydrophobicContact CD1-CG2 3.85Å
46V97.8Very high96.8Very high19 Ų1928.1 Ų28.112%0.11516%0.155CC..Hα-helixtrans-60.3-47.1173.5179.60000111.3L34 K42 S43 T44 Q48 M49 K50 T183 M194 D196L34-V46 HydrophobicContact CD1-CG2 3.63Å; K42-V46 PolarHBondContact O-N 3.01Å; K42-V46 VanDerWaalsContact O-N 3.1Å; S43-V46 PolarHBondContact O-N 2.86Å; T44-V46 VanDerWaalsContact C-N 3.34Å; V46-Q48 PolarHBondContact O-N 2.78Å; V46-M49 WeakPolarHBondContact O-CB 3.4Å; V46-M49 PolarHBondContact O-N 3.07Å; V46-K50 PolarHBondContact O-N 3.26Å; V46-T183 HydrophobicContact CG1-CG2 4.14Å; V46-T183 VanDerWaalsContact CG1-OG1 3.28Å; V46-T183 WeakPolarHBondContact CG1-OG1 3.45Å; V46-M194 HydrophobicContact CG2-CG 4.43Å; V46-M194 HydrophobicContact CG2-SD 3.92Å; V46-D196 HydrophobicContact CG2-CB 3.6Å
47K97.7Very high96.7Very high28 Ų2829.9 Ų29.912%0.12216%0.162CC..Hα-helixtrans-57.5-35.5176.8-72173.8177.8-176.40112S43 T44 I45 K50 I51 Y57 V170 L171 S173S43-K47 VanDerWaalsContact O-CG 3.26Å; S43-K47 WeakPolarHBondContact O-CG 3.47Å; S43-K47 PolarHBondContact O-N 2.82Å; T44-K47 WeakPolarHBondContact O-CB 3.44Å; T44-K47 PolarHBondContact O-N 2.84Å; I45-K47 PolarHBondContact O-N 2.96Å; K47-K50 PolarHBondContact O-N 2.94Å; K47-I51 PolarHBondContact O-N 3.19Å; K47-Y57 WeakPolarHBondContact CA-OH 3.33Å; K47-Y57 WeakPolarHBondContact CB-OH 3.27Å; K47-Y57 VanDerWaalsContact CG-OH 3.25Å; K47-Y57 WeakPolarHBondContact CG-OH 3.48Å; K47-Y57 PolarHBondContact O-OH 3.3Å; K47-V170 HydrophobicContact CD-CG1 4.37Å; K47-V170 PolarHBondContact NZ-O 3.29Å; K47-L171 HydrophobicContact CB-CD2 3.88Å; K47-S173 PolarHBondContact NZ-O 2.91Å; K47-S173 PolarHBondContact NZ-OG 2.75Å
48Q98.1Very high96.7Very high0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-68.1-37.2175-71.3-7521.900112.6T44 I45 V46 K50 I51 I52 L171 A322 T325 V328T44-Q48 VanDerWaalsContact O-CG 3.32Å; T44-Q48 WeakPolarHBondContact O-CG 3.48Å; T44-Q48 PolarHBondContact O-N 3.44Å; I45-Q48 WeakPolarHBondContact O-CB 3.48Å; I45-Q48 PolarHBondContact O-N 3.24Å; V46-Q48 PolarHBondContact O-N 2.78Å; Q48-K50 PolarHBondContact O-N 3.06Å; Q48-I51 PolarHBondContact O-N 3.03Å; Q48-I51 VanDerWaalsContact O-N 3.13Å; Q48-I52 HydrophobicContact CB-CD1 4.05Å; Q48-I52 VanDerWaalsContact O-CB 3.29Å; Q48-I52 WeakPolarHBondContact O-CB 3.26Å; Q48-I52 WeakPolarHBondContact O-CD1 3.42Å; Q48-I52 WeakPolarHBondContact O-CG1 3.02Å; Q48-I52 PolarHBondContact O-N 2.74Å; Q48-L171 HydrophobicContact CG-CD2 3.65Å; Q48-A322 VanDerWaalsContact CG-O 3.26Å; Q48-A322 WeakPolarHBondContact CG-O 3.44Å; Q48-A322 PolarHBondContact NE2-O 2.87Å; Q48-T325 PolarHBondContact NE2-OG1 2.8Å; Q48-T325 PolarHBondContact OE1-OG1 2.68Å; Q48-V328 HydrophobicContact CB-CB 4.4Å; Q48-V328 HydrophobicContact CB-CG1 3.76Å; Q48-V328 HydrophobicContact CG-CB 4.28Å; Q48-V328 HydrophobicContact CG-CG1 4.11Å; Q48-V328 HydrophobicContact CG-CG2 4.11Å
49M97.5Very high96.9Very high0 Ų036.4 Ų36.40%020%0.195CC..Hα-helixtrans-60.6-35.7176.6-62.6-58.293.400111.6I45 V46 I52 H53 F185 M194 V328 F332I45-M49 WeakPolarHBondContact O-CG 3.45Å; I45-M49 PolarHBondContact O-N 2.99Å; V46-M49 WeakPolarHBondContact O-CB 3.4Å; V46-M49 PolarHBondContact O-N 3.07Å; M49-I52 HydrophobicContact CE-CD1 4.01Å; M49-H53 WeakPolarHBondContact O-CA 3.32Å; M49-H53 WeakPolarHBondContact O-CB 3.19Å; M49-H53 PolarHBondContact O-N 2.95Å; M49-F185 HydrophobicContact CB-CD1 3.91Å; M49-F185 HydrophobicContact CB-CE1 3.7Å; M49-F185 HydrophobicContact CB-CG 4.42Å; M49-F185 HydrophobicContact CB-CZ 4.05Å; M49-F185 HydrophobicContact CG-CD1 4.31Å; M49-F185 HydrophobicContact CG-CE1 3.59Å; M49-F185 HydrophobicContact CG-CE2 4.37Å; M49-F185 HydrophobicContact CG-CZ 3.63Å; M49-F185 HydrophobicContact SD-CE1 4.07Å; M49-F185 HydrophobicContact SD-CE2 3.82Å; M49-F185 HydrophobicContact SD-CZ 3.44Å; M49-F185 WeakPolarHBondContact SD-CZ 3.42Å; M49-M194 HydrophobicContact CG-CE 3.55Å; M49-M194 HydrophobicContact CG-SD 3.76Å; M49-M194 HydrophobicContact SD-CE 3.93Å; M49-V328 HydrophobicContact CE-CG1 3.81Å; M49-F332 HydrophobicContact CE-CB 4.36Å; M49-F332 HydrophobicContact CE-CD1 4.45Å; M49-F332 HydrophobicContact CE-CD2 4.07Å; M49-F332 HydrophobicContact CE-CG 4.02Å; M49-F332 HydrophobicContact SD-CD1 4.04Å; M49-F332 HydrophobicContact SD-CD2 3.84Å; M49-F332 HydrophobicContact SD-CE1 3.95Å; M49-F332 HydrophobicContact SD-CE2 3.74Å; M49-F332 HydrophobicContact SD-CG 3.99Å; M49-F332 HydrophobicContact SD-CZ 3.81Å
50K96.5Very high97Very high39 Ų3941.1 Ų41.117%0.1722%0.217CC..Hα-helixtrans-65.1-46173.1-177.7162.8176.7174.30112.7V46 K47 Q48 I52 Q54 G56 Y57 E61V46-K50 PolarHBondContact O-N 3.26Å; K47-K50 PolarHBondContact O-N 2.94Å; Q48-K50 PolarHBondContact O-N 3.06Å; K50-I52 PolarHBondContact O-N 3.11Å; K50-Q54 HydrophobicContact CG-CB 4.24Å; K50-Q54 CarbonylContact O-C 3.59Å; K50-Q54 VanDerWaalsContact O-C 3.28Å; K50-Q54 VanDerWaalsContact O-CA 3.32Å; K50-Q54 WeakPolarHBondContact O-CA 3.32Å; K50-Q54 WeakPolarHBondContact O-CB 3.32Å; K50-Q54 PolarHBondContact O-N 3.23Å; K50-G56 WeakPolarHBondContact CE-O 3.31Å; K50-G56 WeakPolarHBondContact CG-O 3.46Å; K50-G56 PolarHBondContact O-N 2.98Å; K50-G56 VanDerWaalsContact O-N 3.12Å; K50-Y57 HydrophobicContact CD-CD1 4.03Å; K50-Y57 HydrophobicContact CD-CE1 3.64Å; K50-Y57 HydrophobicContact CD-CE2 4.46Å; K50-Y57 HydrophobicContact CG-CE1 4.47Å; K50-Y57 HydrophobicContact CG-CE2 4.46Å; K50-E61 IonicContact NZ-OE1 3.51Å; K50-E61 PolarHBondContact NZ-OE1 3.27Å; K50-E61 IonicContact NZ-OE2 2.69Å; K50-E61 PolarHBondContact NZ-OE2 2.75Å
51I97.2Very high97Very high18 Ų1843.9 Ų43.99%0.09223%0.229CC..Hα-helixtrans-62.5-42.2175.8-66.6165.8000112.1K47 Q48 Y57 E167 L171 T325K47-I51 PolarHBondContact O-N 3.19Å; Q48-I51 PolarHBondContact O-N 3.03Å; Q48-I51 VanDerWaalsContact O-N 3.13Å; I51-Y57 HydrophobicContact CD1-CE2 4.01Å; I51-Y57 HydrophobicContact CG1-CD2 4.1Å; I51-Y57 HydrophobicContact CG1-CE2 3.71Å; I51-E167 HydrophobicContact CD1-CB 4.02Å; I51-E167 HydrophobicContact CD1-CG 4.23Å; I51-E167 HydrophobicContact CG1-CG 4.37Å; I51-L171 HydrophobicContact CD1-CD1 3.87Å; I51-L171 HydrophobicContact CD1-CD2 3.9Å; I51-L171 HydrophobicContact CD1-CG 3.82Å; I51-T325 HydrophobicContact CG2-CG2 4.1Å
52I97Very high97Very high30 Ų3044 Ų4415%0.15423%0.228CC..Hα-helixtrans-82.4-36.7-170.8-64.7168.2000111.7Q48 M49 K50 T325 V328 K329Q48-I52 HydrophobicContact CB-CD1 4.05Å; Q48-I52 VanDerWaalsContact O-CB 3.29Å; Q48-I52 WeakPolarHBondContact O-CB 3.26Å; Q48-I52 WeakPolarHBondContact O-CD1 3.42Å; Q48-I52 WeakPolarHBondContact O-CG1 3.02Å; Q48-I52 PolarHBondContact O-N 2.74Å; M49-I52 HydrophobicContact CE-CD1 4.01Å; K50-I52 PolarHBondContact O-N 3.11Å; I52-T325 HydrophobicContact CD1-CG2 4.35Å; I52-T325 HydrophobicContact CG1-CG2 3.93Å; I52-V328 HydrophobicContact CD1-CB 4.22Å; I52-V328 HydrophobicContact CD1-CG1 3.84Å; I52-K329 HydrophobicContact CB-CG 4.34Å; I52-K329 HydrophobicContact CD1-CB 4.46Å; I52-K329 HydrophobicContact CD1-CG 3.56Å; I52-K329 HydrophobicContact CG1-CD 4.35Å; I52-K329 HydrophobicContact CG1-CG 3.68Å; I52-K329 HydrophobicContact CG2-CD 4.32Å; I52-K329 HydrophobicContact CG2-CG 3.69Å
53H95.9Very high97Very high46 Ų4647.3 Ų47.321%0.21325%0.246CC..Hα-helixtrans-124.6-0.9-167.9-57.9-63.8000114.7M49 F185 F187 F332M49-H53 WeakPolarHBondContact O-CA 3.32Å; M49-H53 WeakPolarHBondContact O-CB 3.19Å; M49-H53 PolarHBondContact O-N 2.95Å; H53-F185 HydrophobicContact CB-CB 4.18Å; H53-F185 HydrophobicContact CB-CD2 3.98Å; H53-F185 HydrophobicContact CB-CG 4.37Å; H53-F185 AromaticContact CD2-CD2 3.68Å; H53-F185 AromaticContact CD2-CE2 3.74Å; H53-F185 AromaticContact CG-CD2 3.95Å; H53-F187 AromaticContact CE1-CD2 3.27Å; H53-F187 WeakPolarHBondContact CE1-CD2 3.16Å; H53-F187 AromaticContact CE1-CE2 3.72Å; H53-F187 AromaticContact CE1-CG 3.49Å; H53-F187 VanDerWaalsContact CE1-CG 3.49Å; H53-F187 WeakPolarHBondContact CE1-CG 3.35Å; H53-F187 AromaticContact ND1-CD2 3.72Å; H53-F332 AromaticContact NE2-CD1 3.87Å
54Q94.8Very high96.9Very high74 Ų7452 Ų5235%0.34626%0.264SS..SBendtrans-13833-177-51.2-175.6-56.900113.2K50 G56 Q184 F185K50-Q54 HydrophobicContact CG-CB 4.24Å; K50-Q54 CarbonylContact O-C 3.59Å; K50-Q54 VanDerWaalsContact O-C 3.28Å; K50-Q54 VanDerWaalsContact O-CA 3.32Å; K50-Q54 WeakPolarHBondContact O-CA 3.32Å; K50-Q54 WeakPolarHBondContact O-CB 3.32Å; K50-Q54 PolarHBondContact O-N 3.23Å; Q54-G56 PolarHBondContact O-N 3.09Å; Q54-Q184 PolarHBondContact NE2-O 2.92Å; Q54-F185 HydrophobicContact CG-CB 4.1Å
55D94.7Very high96.9Very high171 Ų17152.1 Ų52.191%0.91426%0.263SS*.  trans59.519.6176-54.5-49.8000115.5
56G95.4Very high96.9Very high5 Ų553.8 Ų53.85%0.05227%0.271CS..  trans77.7-150.417600000114.3K50 Q54K50-G56 WeakPolarHBondContact CE-O 3.31Å; K50-G56 WeakPolarHBondContact CG-O 3.46Å; K50-G56 PolarHBondContact O-N 2.98Å; K50-G56 VanDerWaalsContact O-N 3.12Å; Q54-G56 PolarHBondContact O-N 3.09Å
57Y96.9Very high96.9Very high37 Ų3755.1 Ų55.115%0.14529%0.285CS..  trans-105.5134.1-177-66-93.1000109.7K47 K50 I51 E61 C62 F65 V170K47-Y57 WeakPolarHBondContact CA-OH 3.33Å; K47-Y57 WeakPolarHBondContact CB-OH 3.27Å; K47-Y57 VanDerWaalsContact CG-OH 3.25Å; K47-Y57 WeakPolarHBondContact CG-OH 3.48Å; K47-Y57 PolarHBondContact O-OH 3.3Å; K50-Y57 HydrophobicContact CD-CD1 4.03Å; K50-Y57 HydrophobicContact CD-CE1 3.64Å; K50-Y57 HydrophobicContact CD-CE2 4.46Å; K50-Y57 HydrophobicContact CG-CE1 4.47Å; K50-Y57 HydrophobicContact CG-CE2 4.46Å; I51-Y57 HydrophobicContact CD1-CE2 4.01Å; I51-Y57 HydrophobicContact CG1-CD2 4.1Å; I51-Y57 HydrophobicContact CG1-CE2 3.71Å; Y57-E61 HydrophobicContact CD1-CB 4.24Å; Y57-C62 VanDerWaalsContact CB-SG 3.55Å; Y57-F65 AromaticContact CD1-CE2 3.95Å; Y57-F65 HydrophobicContact CD1-CE2 3.95Å; Y57-F65 AromaticContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CZ 4.19Å; Y57-V170 HydrophobicContact CD1-CG1 4.41Å; Y57-V170 HydrophobicContact CD2-CG1 4.09Å; Y57-V170 HydrophobicContact CE1-CG1 4.01Å; Y57-V170 HydrophobicContact CE2-CG1 3.67Å; Y57-V170 HydrophobicContact CG-CG1 4.46Å
58S96.8Very high96.9Very high58 Ų5856.2 Ų56.241%0.40629%0.291SS..  trans-67.1163.4170.966.80000111.1E60 E61 C62S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.07Å; S58-E61 PolarHBondContact N-OE2 3.38Å; S58-E61 PolarHBondContact O-N 3.36Å; S58-E61 VanDerWaalsContact OG-CG 3.23Å; S58-E61 WeakPolarHBondContact OG-CG 3.39Å; S58-E61 PolarHBondContact OG-N 3.48Å; S58-E61 PolarHBondContact OG-OE2 3.39Å; S58-E61 VanDerWaalsContact OG-OE2 3.05Å; S58-C62 PolarHBondContact O-N 2.8Å; S58-C62 PolarHBondContact O-SG 3Å
59L97.3Very high96.9Very high111 Ų11156.2 Ų56.258%0.58129%0.291SS*.Hα-helixtrans-56.8-43.5176.9177.360.9000111.9E61 C62 L63 V164L59-E61 PolarHBondContact O-N 2.79Å; L59-C62 PolarHBondContact O-N 3.17Å; L59-L63 HydrophobicContact CD1-CD1 4.42Å; L59-L63 HydrophobicContact CD1-CG 4.28Å; L59-L63 HydrophobicContact CG-CD1 4.28Å; L59-L63 VanDerWaalsContact O-CG 3.28Å; L59-L63 WeakPolarHBondContact O-CG 3.5Å; L59-L63 PolarHBondContact O-N 2.97Å; L59-V164 HydrophobicContact CD1-CG1 3.7Å; L59-V164 HydrophobicContact CD1-CG2 3.91Å
60E97.4Very high96.9Very high147 Ų14757.7 Ų57.769%0.68730%0.297SS*.Hα-helixtrans-59.8-47.6179.2-173.7169.4-169.600111.2S58 C62 L63 E64S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.07Å; E60-C62 PolarHBondContact O-N 3.42Å; E60-L63 WeakPolarHBondContact O-CB 3.44Å; E60-L63 PolarHBondContact O-N 3.06Å; E60-L63 VanDerWaalsContact O-N 3.14Å; E60-E64 PolarHBondContact O-N 2.98Å
61E97Very high96.9Very high60 Ų6056.5 Ų56.528%0.2830%0.295SS..Hα-helixtrans-64.6-39.3177.1-66.1170.2136.200112.3K50 Y57 S58 L59 L63 E64 F65K50-E61 IonicContact NZ-OE1 3.51Å; K50-E61 PolarHBondContact NZ-OE1 3.27Å; K50-E61 IonicContact NZ-OE2 2.69Å; K50-E61 PolarHBondContact NZ-OE2 2.75Å; Y57-E61 HydrophobicContact CD1-CB 4.24Å; S58-E61 PolarHBondContact N-OE2 3.38Å; S58-E61 PolarHBondContact O-N 3.36Å; S58-E61 VanDerWaalsContact OG-CG 3.23Å; S58-E61 WeakPolarHBondContact OG-CG 3.39Å; S58-E61 PolarHBondContact OG-N 3.48Å; S58-E61 PolarHBondContact OG-OE2 3.39Å; S58-E61 VanDerWaalsContact OG-OE2 3.05Å; L59-E61 PolarHBondContact O-N 2.79Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 2.81Å; E61-E64 WeakPolarHBondContact O-CB 3.25Å; E61-E64 PolarHBondContact O-N 3.47Å; E61-F65 WeakPolarHBondContact O-CD2 3.28Å
62C97.8Very high97Very high13 Ų1356.7 Ų56.79%0.08830%0.296CS..Hα-helixtrans-59.8-41.2173.7-74.70000111.4Y57 S58 L59 E60 E64 F65 V164 P165Y57-C62 VanDerWaalsContact CB-SG 3.55Å; S58-C62 PolarHBondContact O-N 2.8Å; S58-C62 PolarHBondContact O-SG 3Å; L59-C62 PolarHBondContact O-N 3.17Å; E60-C62 PolarHBondContact O-N 3.42Å; C62-E64 VanDerWaalsContact C-N 3.3Å; C62-E64 PolarHBondContact O-N 3.21Å; C62-F65 WeakPolarHBondContact O-CB 3.31Å; C62-F65 PolarHBondContact O-N 3.14Å; C62-F65 VanDerWaalsContact O-N 3.15Å; C62-V164 HydrophobicContact CB-CG1 4.01Å; C62-P165 WeakPolarHBondContact O-CD 3.46Å; C62-P165 WeakPolarHBondContact O-CG 3.26Å
63L97.4Very high97Very high80 Ų8055.2 Ų55.242%0.41929%0.289SS..Hα-helixtrans-65.7-32179.3-67.3174.8000112.4L59 E60 E61 F65 I66 V164L59-L63 HydrophobicContact CD1-CD1 4.42Å; L59-L63 HydrophobicContact CD1-CG 4.28Å; L59-L63 HydrophobicContact CG-CD1 4.28Å; L59-L63 VanDerWaalsContact O-CG 3.28Å; L59-L63 WeakPolarHBondContact O-CG 3.5Å; L59-L63 PolarHBondContact O-N 2.97Å; E60-L63 WeakPolarHBondContact O-CB 3.44Å; E60-L63 PolarHBondContact O-N 3.06Å; E60-L63 VanDerWaalsContact O-N 3.14Å; E61-L63 VanDerWaalsContact C-N 3.29Å; E61-L63 PolarHBondContact O-N 2.81Å; L63-F65 PolarHBondContact O-N 3.4Å; L63-I66 HydrophobicContact CD2-CD1 3.68Å; L63-I66 WeakPolarHBondContact O-CB 3.42Å; L63-I66 WeakPolarHBondContact O-CG1 3.34Å; L63-I66 PolarHBondContact O-N 2.84Å; L63-I66 VanDerWaalsContact O-N 3.17Å; L63-V164 HydrophobicContact CD2-CG2 4.37Å
64E96.5Very high97.1Very high130 Ų13054 Ų5461%0.60728%0.284SS*.Hα-helixtrans-61.9-27.8173.9-65.9177.3177.400112.8E60 E61 C62 I66E60-E64 PolarHBondContact O-N 2.98Å; E61-E64 WeakPolarHBondContact O-CB 3.25Å; E61-E64 PolarHBondContact O-N 3.47Å; C62-E64 VanDerWaalsContact C-N 3.3Å; C62-E64 PolarHBondContact O-N 3.21Å; E64-I66 VanDerWaalsContact C-N 3.29Å; E64-I66 PolarHBondContact O-N 3.41Å
65F97.9Very high97.2Very high27 Ų2754.8 Ų54.812%0.11829%0.288CS..Hα-helixtrans-74-15.3177.7-76.7-78.4000114.1Y57 E61 C62 L63 A67 I68 I69 P165 V170 S173Y57-F65 AromaticContact CD1-CE2 3.95Å; Y57-F65 HydrophobicContact CD1-CE2 3.95Å; Y57-F65 AromaticContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CZ 4.19Å; E61-F65 WeakPolarHBondContact O-CD2 3.28Å; C62-F65 WeakPolarHBondContact O-CB 3.31Å; C62-F65 PolarHBondContact O-N 3.14Å; C62-F65 VanDerWaalsContact O-N 3.15Å; L63-F65 PolarHBondContact O-N 3.4Å; F65-A67 PolarHBondContact O-N 3.34Å; F65-I68 HydrophobicContact CD1-CD1 3.91Å; F65-I68 HydrophobicContact CE1-CD1 4.26Å; F65-I68 PolarHBondContact O-N 3.45Å; F65-I69 HydrophobicContact CB-CD1 3.99Å; F65-I69 WeakPolarHBondContact O-CB 3.39Å; F65-I69 WeakPolarHBondContact O-CD1 3.44Å; F65-I69 VanDerWaalsContact O-CG1 3.26Å; F65-I69 WeakPolarHBondContact O-CG1 3.36Å; F65-I69 PolarHBondContact O-N 2.91Å; F65-P165 HydrophobicContact CB-CB 4.43Å; F65-P165 HydrophobicContact CB-CG 4.32Å; F65-V170 HydrophobicContact CB-CG2 4.33Å; F65-V170 HydrophobicContact CD1-CG1 4.32Å; F65-V170 HydrophobicContact CD2-CB 4.41Å; F65-V170 HydrophobicContact CD2-CG1 3.99Å; F65-V170 HydrophobicContact CD2-CG2 3.66Å; F65-V170 HydrophobicContact CE1-CG1 3.97Å; F65-V170 HydrophobicContact CE2-CB 4.49Å; F65-V170 HydrophobicContact CE2-CG1 3.61Å; F65-V170 HydrophobicContact CE2-CG2 4.11Å; F65-V170 HydrophobicContact CG-CG1 4.35Å; F65-V170 HydrophobicContact CG-CG2 3.94Å; F65-V170 HydrophobicContact CZ-CG1 3.6Å; F65-S173 WeakPolarHBondContact CD1-OG 3.42Å
66I98Very high97.4Very high36 Ų3646.7 Ų46.719%0.18525%0.245CC..Hα-helixtrans-57.6-50.3-177-67.5176.2000110.8L63 E64 I68 I69 Y70 Y163 P165L63-I66 HydrophobicContact CD2-CD1 3.68Å; L63-I66 WeakPolarHBondContact O-CB 3.42Å; L63-I66 WeakPolarHBondContact O-CG1 3.34Å; L63-I66 PolarHBondContact O-N 2.84Å; L63-I66 VanDerWaalsContact O-N 3.17Å; E64-I66 VanDerWaalsContact C-N 3.29Å; E64-I66 PolarHBondContact O-N 3.41Å; I66-I68 VanDerWaalsContact C-N 3.29Å; I66-I68 PolarHBondContact O-N 2.88Å; I66-I69 PolarHBondContact O-N 2.82Å; I66-Y70 HydrophobicContact CG2-CD2 3.84Å; I66-Y70 HydrophobicContact CG2-CE1 4.32Å; I66-Y70 HydrophobicContact CG2-CE2 3.46Å; I66-Y70 VanDerWaalsContact CG2-CE2 3.46Å; I66-Y70 HydrophobicContact CG2-CG 4.42Å; I66-Y70 PolarHBondContact O-N 3.05Å; I66-Y163 HydrophobicContact CG1-CD1 4.42Å; I66-Y163 HydrophobicContact CG1-CE1 4.45Å; I66-P165 HydrophobicContact CG1-CG 3.66Å
67A97.1Very high97.5Very high48 Ų4846.5 Ų46.540%0.39724%0.242SC..Hα-helixtrans-61.3-39.8-179.900000112F65 G71 G113F65-A67 PolarHBondContact O-N 3.34Å; A67-G71 PolarHBondContact O-N 2.86Å; A67-G113 WeakPolarHBondContact CA-O 3.39Å; A67-G113 WeakPolarHBondContact O-CA 3.18Å
68I97.5Very high97.6Very high51 Ų5144.8 Ų44.826%0.26224%0.236SC..Hα-helixtrans-64-46.1177.1-61.6166.8000110.4F65 I66 G71 N72 V175F65-I68 HydrophobicContact CD1-CD1 3.91Å; F65-I68 HydrophobicContact CE1-CD1 4.26Å; F65-I68 PolarHBondContact O-N 3.45Å; I66-I68 VanDerWaalsContact C-N 3.29Å; I66-I68 PolarHBondContact O-N 2.88Å; I68-G71 PolarHBondContact O-N 2.47Å; I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 2.97Å; I68-N72 PolarHBondContact O-ND2 3.3Å; I68-V175 HydrophobicContact CD1-CG2 3.78Å; I68-V175 HydrophobicContact CG1-CG2 4.17Å; I68-V175 HydrophobicContact CG2-CG2 3.63Å
69I98.3Very high97.6Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-64.6-43.3-179.3-69.9159000110.8F65 I66 N72 T73 Y151 L158 P165 D169F65-I69 HydrophobicContact CB-CD1 3.99Å; F65-I69 WeakPolarHBondContact O-CB 3.39Å; F65-I69 WeakPolarHBondContact O-CD1 3.44Å; F65-I69 VanDerWaalsContact O-CG1 3.26Å; F65-I69 WeakPolarHBondContact O-CG1 3.36Å; F65-I69 PolarHBondContact O-N 2.91Å; I66-I69 PolarHBondContact O-N 2.82Å; I69-N72 PolarHBondContact O-N 2.83Å; I69-T73 WeakPolarHBondContact O-CB 3.41Å; I69-T73 PolarHBondContact O-N 3.2Å; I69-T73 PolarHBondContact O-OG1 2.81Å; I69-Y151 HydrophobicContact CB-CE1 4.48Å; I69-Y151 HydrophobicContact CG1-CE1 4.19Å; I69-Y151 HydrophobicContact CG2-CD1 3.85Å; I69-Y151 HydrophobicContact CG2-CE1 3.66Å; I69-L158 HydrophobicContact CG2-CD1 4.13Å; I69-L158 HydrophobicContact CG2-CD2 4.29Å; I69-P165 HydrophobicContact CD1-CB 3.77Å; I69-P165 HydrophobicContact CD1-CG 3.71Å; I69-D169 HydrophobicContact CD1-CB 3.75Å
70Y98Very high97.7Very high31 Ų3137.8 Ų37.812%0.12220%0.197CC..Hα-helixtrans-63.7-45.4175.5-70.2-9.2000111.6I66 N72 T73 L74 G113 M115 L158I66-Y70 HydrophobicContact CG2-CD2 3.84Å; I66-Y70 HydrophobicContact CG2-CE1 4.32Å; I66-Y70 HydrophobicContact CG2-CE2 3.46Å; I66-Y70 VanDerWaalsContact CG2-CE2 3.46Å; I66-Y70 HydrophobicContact CG2-CG 4.42Å; I66-Y70 PolarHBondContact O-N 3.05Å; Y70-N72 PolarHBondContact O-N 3.26Å; Y70-T73 PolarHBondContact O-N 2.9Å; Y70-L74 WeakPolarHBondContact O-CB 3.37Å; Y70-L74 PolarHBondContact O-N 2.97Å; Y70-G113 WeakPolarHBondContact CD2-O 3.03Å; Y70-M115 HydrophobicContact CD1-CB 4.02Å; Y70-M115 HydrophobicContact CD1-CE 4.46Å; Y70-M115 HydrophobicContact CD2-CB 3.5Å; Y70-M115 VanDerWaalsContact CD2-CB 3.5Å; Y70-M115 HydrophobicContact CE1-CB 4.17Å; Y70-M115 HydrophobicContact CE2-CB 3.67Å; Y70-M115 HydrophobicContact CG-CB 3.68Å; Y70-M115 HydrophobicContact CG-CE 4.41Å; Y70-L158 HydrophobicContact CE1-CB 4.26Å; Y70-L158 VanDerWaalsContact CE1-O 3.28Å; Y70-L158 WeakPolarHBondContact CE1-O 3.26Å; Y70-L158 PolarHBondContact OH-O 3.03Å
71G97Very high97.7Very high13 Ų1330.9 Ų30.913%0.13417%0.165CC..Hα-helixtrans-58.7-46.3173.700000112.3A67 I68 T73 L74 Q75A67-G71 PolarHBondContact O-N 2.86Å; I68-G71 PolarHBondContact O-N 2.47Å; G71-T73 PolarHBondContact O-N 2.99Å; G71-L74 PolarHBondContact O-N 3.18Å; G71-Q75 WeakPolarHBondContact O-CB 3.48Å; G71-Q75 VanDerWaalsContact O-CG 3.26Å; G71-Q75 WeakPolarHBondContact O-CG 3.37Å; G71-Q75 PolarHBondContact O-N 2.81Å
72N97.6Very high97.8Very high22 Ų2234.2 Ų34.212%0.11818%0.175CC..Hα-helixtrans-60.9-44.7177.3-70.6179.4000112.1I68 I69 Y70 S76 Y151 R174I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 2.97Å; I68-N72 PolarHBondContact O-ND2 3.3Å; I69-N72 PolarHBondContact O-N 2.83Å; Y70-N72 PolarHBondContact O-N 3.26Å; N72-S76 WeakPolarHBondContact O-CB 3.42Å; N72-S76 PolarHBondContact O-N 3.13Å; N72-S76 PolarHBondContact O-OG 2.81Å; N72-Y151 HydrophobicContact CB-CE2 4.32Å; N72-R174 PolarHBondContact ND2-O 3.26Å; N72-R174 PolarHBondContact OD1-N 3.37Å; N72-R174 PolarHBondContact OD1-O 2.81Å
73T98.2Very high97.8Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-60.6-49.7177.4-53.90000111.4I69 Y70 G71 S76 I77 M115 Y151 L152 L155I69-T73 WeakPolarHBondContact O-CB 3.41Å; I69-T73 PolarHBondContact O-N 3.2Å; I69-T73 PolarHBondContact O-OG1 2.81Å; Y70-T73 PolarHBondContact O-N 2.9Å; G71-T73 PolarHBondContact O-N 2.99Å; T73-S76 WeakPolarHBondContact O-CB 3.44Å; T73-S76 PolarHBondContact O-N 3.47Å; T73-I77 PolarHBondContact O-N 3.45Å; T73-I77 VanDerWaalsContact O-N 3.13Å; T73-M115 HydrophobicContact CG2-CE 4.47Å; T73-Y151 WeakPolarHBondContact OG1-CB 3.44Å; T73-L152 HydrophobicContact CG2-CD2 3.79Å; T73-L155 HydrophobicContact CG2-CD1 4.15Å
74L97.8Very high97.8Very high21 Ų2130 Ų3011%0.1115%0.153CC..Hα-helixtrans-62.5-47-180177.959.4000111.4Y70 G71 S76 I77 L78 L103 A107 M119 I123Y70-L74 WeakPolarHBondContact O-CB 3.37Å; Y70-L74 PolarHBondContact O-N 2.97Å; G71-L74 PolarHBondContact O-N 3.18Å; L74-S76 VanDerWaalsContact C-N 3.3Å; L74-S76 PolarHBondContact O-N 3.33Å; L74-I77 HydrophobicContact CD1-CG2 4.4Å; L74-I77 WeakPolarHBondContact O-CG2 3.32Å; L74-I77 PolarHBondContact O-N 2.92Å; L74-L78 HydrophobicContact CD1-CD1 3.93Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CG-CD1 3.85Å; L74-L78 HydrophobicContact CG-CG 4.43Å; L74-L78 WeakPolarHBondContact O-CB 3.39Å; L74-L78 VanDerWaalsContact O-CG 3.24Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.19Å; L74-L103 HydrophobicContact CD1-CD1 3.91Å; L74-L103 HydrophobicContact CD1-CG 4.4Å; L74-A107 HydrophobicContact CD1-CB 4.46Å; L74-A107 HydrophobicContact CD2-CB 4.32Å; L74-M119 HydrophobicContact CD1-SD 3.94Å; L74-M119 HydrophobicContact CD2-CE 4.26Å; L74-M119 HydrophobicContact CD2-SD 4.09Å; L74-I123 HydrophobicContact CD1-CD1 4.26Å
75Q97Very high97.8Very high89 Ų8929.4 Ų29.442%0.41616%0.158SC..Hα-helixtrans-63.6-36.7178.2-67.6-55.6-33.900112.2G71 L78 A79G71-Q75 WeakPolarHBondContact O-CB 3.48Å; G71-Q75 VanDerWaalsContact O-CG 3.26Å; G71-Q75 WeakPolarHBondContact O-CG 3.37Å; G71-Q75 PolarHBondContact O-N 2.81Å; Q75-L78 PolarHBondContact O-N 3.02Å; Q75-A79 WeakPolarHBondContact O-CB 3.33Å; Q75-A79 PolarHBondContact O-N 3.45Å
76S98.2Very high97.7Very high2 Ų233.8 Ų33.81%0.01419%0.188CC..Hα-helixtrans-61.5-49175.5-79.20000112.6N72 T73 L74 A79 I80 L144 A148N72-S76 WeakPolarHBondContact O-CB 3.42Å; N72-S76 PolarHBondContact O-N 3.13Å; N72-S76 PolarHBondContact O-OG 2.81Å; T73-S76 WeakPolarHBondContact O-CB 3.44Å; T73-S76 PolarHBondContact O-N 3.47Å; L74-S76 VanDerWaalsContact C-N 3.3Å; L74-S76 PolarHBondContact O-N 3.33Å; S76-A79 PolarHBondContact O-N 2.96Å; S76-I80 WeakPolarHBondContact O-CG1 3.23Å; S76-I80 PolarHBondContact O-N 3.11Å; S76-L144 WeakPolarHBondContact O-CD1 3.05Å; S76-A148 WeakPolarHBondContact OG-CB 3.39Å
77I98.6Very high97.7Very high0 Ų033.6 Ų33.60%019%0.187CC..Hα-helixtrans-68.6-36.5178.9-172.263.7000112.2T73 L74 A79 I80 V81 L103 I123 L126 I132 L152T73-I77 PolarHBondContact O-N 3.45Å; T73-I77 VanDerWaalsContact O-N 3.13Å; L74-I77 HydrophobicContact CD1-CG2 4.4Å; L74-I77 WeakPolarHBondContact O-CG2 3.32Å; L74-I77 PolarHBondContact O-N 2.92Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.18Å; I77-I80 PolarHBondContact O-N 2.66Å; I77-V81 HydrophobicContact CG1-CG2 4.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.49Å; I77-V81 PolarHBondContact O-N 2.83Å; I77-L103 HydrophobicContact CG1-CD2 4.01Å; I77-L103 HydrophobicContact CG2-CD2 3.79Å; I77-I123 HydrophobicContact CB-CG2 4.26Å; I77-I123 HydrophobicContact CG1-CG2 4.22Å; I77-I123 HydrophobicContact CG2-CD1 4.01Å; I77-I123 HydrophobicContact CG2-CG1 4Å; I77-I123 HydrophobicContact CG2-CG2 4.17Å; I77-L126 HydrophobicContact CD1-CB 4.18Å; I77-L126 HydrophobicContact CG1-CD1 4.45Å; I77-I132 HydrophobicContact CD1-CG2 4.3Å; I77-L152 HydrophobicContact CB-CD2 3.84Å; I77-L152 HydrophobicContact CG2-CD2 4.5Å
78L97.9Very high97.8Very high2 Ų238 Ų381%0.0120%0.204CC..Hα-helixtrans-63.9-38.5175.5-70.8171.4000111.8L74 Q75 V81 R82 L103 M104 A107L74-L78 HydrophobicContact CD1-CD1 3.93Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CG-CD1 3.85Å; L74-L78 HydrophobicContact CG-CG 4.43Å; L74-L78 WeakPolarHBondContact O-CB 3.39Å; L74-L78 VanDerWaalsContact O-CG 3.24Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.19Å; Q75-L78 PolarHBondContact O-N 3.02Å; L78-V81 PolarHBondContact O-N 3.45Å; L78-R82 VanDerWaalsContact O-CG 3.3Å; L78-R82 WeakPolarHBondContact O-CG 3.06Å; L78-R82 PolarHBondContact O-N 3.14Å; L78-L103 HydrophobicContact CD2-CD2 4.28Å; L78-L103 HydrophobicContact CD2-CG 4.12Å; L78-M104 HydrophobicContact CD2-CG 4.08Å; L78-A107 HydrophobicContact CD1-CB 3.59Å; L78-A107 HydrophobicContact CD2-CB 4.18Å; L78-A107 HydrophobicContact CG-CB 4.49Å
79A98.2Very high97.8Very high21 Ų2137 Ų3717%0.17420%0.198CC..Hα-helixtrans-60.6-45.2174.100000111.3Q75 S76 I77 R82 A83 L144Q75-A79 WeakPolarHBondContact O-CB 3.33Å; Q75-A79 PolarHBondContact O-N 3.45Å; S76-A79 PolarHBondContact O-N 2.96Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.18Å; A79-R82 PolarHBondContact O-N 3.04Å; A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.13Å; A79-L144 HydrophobicContact CB-CD1 4.02Å
80I98.6Very high97.8Very high0 Ų044.9 Ų44.90%024%0.235CC..Hα-helixtrans-63.7-46.2176.9-58.1164.3000110.7S76 I77 R82 A83 M84 W127 I132 C135 F136 Y142 L144 L152S76-I80 WeakPolarHBondContact O-CG1 3.23Å; S76-I80 PolarHBondContact O-N 3.11Å; I77-I80 PolarHBondContact O-N 2.66Å; I80-R82 VanDerWaalsContact C-N 3.32Å; I80-R82 PolarHBondContact O-N 2.81Å; I80-A83 CarbonylContact O-C 3.55Å; I80-A83 WeakPolarHBondContact O-CA 3.29Å; I80-A83 WeakPolarHBondContact O-CB 3.46Å; I80-A83 PolarHBondContact O-N 2.81Å; I80-A83 VanDerWaalsContact O-N 3.07Å; I80-M84 WeakPolarHBondContact O-CG 3.47Å; I80-M84 PolarHBondContact O-N 3.1Å; I80-W127 HydrophobicContact CD1-CE3 4.47Å; I80-W127 HydrophobicContact CD1-CZ3 3.9Å; I80-I132 HydrophobicContact CG2-CD1 3.98Å; I80-I132 HydrophobicContact CG2-CG2 4.04Å; I80-C135 HydrophobicContact CG2-CB 4.02Å; I80-F136 HydrophobicContact CD1-CD2 4.03Å; I80-Y142 HydrophobicContact CG1-CE2 4.25Å; I80-L144 HydrophobicContact CD1-CD1 4.33Å; I80-L144 HydrophobicContact CD1-CD2 4.21Å; I80-L144 HydrophobicContact CG1-CD1 3.9Å; I80-L144 HydrophobicContact CG1-CD2 4.01Å; I80-L152 HydrophobicContact CD1-CD1 3.8Å
81V98.2Very high97.8Very high3 Ų345.5 Ų45.52%0.01824%0.238CC..Hα-helixtrans-58.3-41.7178.1166.20000112I77 L78 M84 A100 M104 L126 I132I77-V81 HydrophobicContact CG1-CG2 4.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.49Å; I77-V81 PolarHBondContact O-N 2.83Å; L78-V81 PolarHBondContact O-N 3.45Å; V81-M84 WeakPolarHBondContact O-CB 3.27Å; V81-M84 PolarHBondContact O-N 2.98Å; V81-A100 HydrophobicContact CG1-CB 3.9Å; V81-A100 HydrophobicContact CG2-CB 4.33Å; V81-M104 HydrophobicContact CG1-CE 4.38Å; V81-M104 HydrophobicContact CG1-CG 4.49Å; V81-M104 HydrophobicContact CG1-SD 4.23Å; V81-L126 HydrophobicContact CG2-CD1 4.46Å; V81-I132 HydrophobicContact CG2-CD1 4.13Å
82R97.9Very high97.8Very high129 Ų12947.2 Ų47.249%0.48726%0.255SS..Hα-helixtrans-68.2-37.5175.2-68.7172.9-171.3135-0.4111.9L78 A79 I80 M84 T85 T86L78-R82 VanDerWaalsContact O-CG 3.3Å; L78-R82 WeakPolarHBondContact O-CG 3.06Å; L78-R82 PolarHBondContact O-N 3.14Å; A79-R82 PolarHBondContact O-N 3.04Å; I80-R82 VanDerWaalsContact C-N 3.32Å; I80-R82 PolarHBondContact O-N 2.81Å; R82-M84 VanDerWaalsContact C-N 3.33Å; R82-M84 PolarHBondContact O-N 3.39Å; R82-T85 PolarHBondContact O-N 3.06Å; R82-T86 PolarHBondContact O-N 2.96Å; R82-T86 PolarHBondContact O-OG1 2.61Å; R82-T86 VanDerWaalsContact O-OG1 3.11Å
83A98.2Very high97.8Very high5 Ų549.3 Ų49.34%0.04127%0.267CS..Hα-helixtrans-66.6-32.3176.700000112.4A79 I80 T85 T86 L87 Y142A79-A83 WeakPolarHBondContact O-CB 3.49Å; A79-A83 PolarHBondContact O-N 3.13Å; I80-A83 CarbonylContact O-C 3.55Å; I80-A83 WeakPolarHBondContact O-CA 3.29Å; I80-A83 WeakPolarHBondContact O-CB 3.46Å; I80-A83 PolarHBondContact O-N 2.81Å; I80-A83 VanDerWaalsContact O-N 3.07Å; A83-T85 VanDerWaalsContact C-N 3.28Å; A83-T85 PolarHBondContact O-N 2.92Å; A83-T86 PolarHBondContact O-N 2.89Å; A83-T86 VanDerWaalsContact O-N 3.14Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 3.5Å; A83-Y142 HydrophobicContact CB-CD1 3.56Å; A83-Y142 HydrophobicContact CB-CD2 3.63Å; A83-Y142 HydrophobicContact CB-CE1 3.67Å; A83-Y142 HydrophobicContact CB-CE2 3.74Å; A83-Y142 HydrophobicContact CB-CG 3.53Å
84M98.1Very high97.6Very high1 Ų154.1 Ų54.11%0.00530%0.3CS..Hα-helixtrans-53.1-46.7173.5-67.7-79.6-69.700111.6I80 V81 R82 N88 I89 Y91 G131 I132 C135I80-M84 WeakPolarHBondContact O-CG 3.47Å; I80-M84 PolarHBondContact O-N 3.1Å; V81-M84 WeakPolarHBondContact O-CB 3.27Å; V81-M84 PolarHBondContact O-N 2.98Å; R82-M84 VanDerWaalsContact C-N 3.33Å; R82-M84 PolarHBondContact O-N 3.39Å; M84-N88 PolarHBondContact O-N 3.05Å; M84-N88 VanDerWaalsContact O-N 3.12Å; M84-I89 HydrophobicContact CE-CB 4.22Å; M84-I89 HydrophobicContact CE-CG2 3.82Å; M84-I89 WeakPolarHBondContact CE-O 3.49Å; M84-I89 PolarHBondContact O-N 3.34Å; M84-I89 HydrophobicContact SD-CB 3.9Å; M84-I89 HydrophobicContact SD-CG2 3.7Å; M84-Y91 HydrophobicContact CE-CD1 3.89Å; M84-Y91 HydrophobicContact CE-CD2 4.41Å; M84-Y91 HydrophobicContact CE-CE1 4.03Å; M84-Y91 HydrophobicContact CE-CG 4.09Å; M84-G131 VanDerWaalsContact SD-C 3.53Å; M84-I132 HydrophobicContact CE-CD1 4.46Å; M84-I132 HydrophobicContact CG-CD1 3.82Å; M84-I132 HydrophobicContact SD-CD1 4.05Å; M84-C135 HydrophobicContact CG-CB 4.13Å; M84-C135 HydrophobicContact SD-CB 3.36Å; M84-C135 WeakPolarHBondContact SD-CB 3.26Å
85T95.9Very high97.6Very high117 Ų11755.3 Ų55.372%0.71831%0.313SS*.Hα-helixtrans-67-45.1177.4-55.80000111.7R82 A83 L87 N88R82-T85 PolarHBondContact O-N 3.06Å; A83-T85 VanDerWaalsContact C-N 3.28Å; A83-T85 PolarHBondContact O-N 2.92Å; T85-L87 VanDerWaalsContact C-N 3.35Å; T85-L87 PolarHBondContact O-N 2.66Å; T85-N88 PolarHBondContact O-N 2.57Å
86T96.6Very high97.6Very high119 Ų11953.1 Ų53.173%0.7330%0.301SS*.Hα-helixtrans-64.2-39.5-177.6-540000112.1R82 A83 N88R82-T86 PolarHBondContact O-N 2.96Å; R82-T86 PolarHBondContact O-OG1 2.61Å; R82-T86 VanDerWaalsContact O-OG1 3.11Å; A83-T86 PolarHBondContact O-N 2.89Å; A83-T86 VanDerWaalsContact O-N 3.14Å; T86-N88 VanDerWaalsContact C-N 3.33Å
87L97.7Very high97.5Very high32 Ų3258.5 Ų58.517%0.16833%0.326CS..THydrogen-bonded Turntrans-90.33.2-179.2-58.9-178.3000113.3A83 T85 I89 R138 E141 Y142A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.44Å; A83-L87 PolarHBondContact O-N 3.5Å; T85-L87 VanDerWaalsContact C-N 3.35Å; T85-L87 PolarHBondContact O-N 2.66Å; L87-I89 VanDerWaalsContact C-N 3.31Å; L87-I89 HydrophobicContact CB-CD1 3.84Å; L87-I89 HydrophobicContact CB-CG1 3.93Å; L87-I89 HydrophobicContact CD1-CD1 4.16Å; L87-I89 PolarHBondContact O-N 3.28Å; L87-R138 HydrophobicContact CD1-CB 4.11Å; L87-E141 HydrophobicContact CD1-CB 4.47Å; L87-E141 HydrophobicContact CD2-CB 4.25Å; L87-E141 WeakPolarHBondContact CD2-OE2 3.46Å; L87-Y142 HydrophobicContact CD1-CD1 4.02Å; L87-Y142 HydrophobicContact CD1-CE1 4.11Å
88N97.6Very high97.5Very high140 Ų14061 Ų6175%0.74934%0.339SS*.THydrogen-bonded Turntrans52.344.8-177.7-167.836.6000113.5M84 T85 T86M84-N88 PolarHBondContact O-N 3.05Å; M84-N88 VanDerWaalsContact O-N 3.12Å; T85-N88 PolarHBondContact O-N 2.57Å; T86-N88 VanDerWaalsContact C-N 3.33Å
89I98Very high97.5Very high30 Ų3061.3 Ų61.315%0.15434%0.341CS..PPolyproline II helixtrans-95.7131.5177.2-58173000108.4M84 L87 C135M84-I89 HydrophobicContact CE-CB 4.22Å; M84-I89 HydrophobicContact CE-CG2 3.82Å; M84-I89 WeakPolarHBondContact CE-O 3.49Å; M84-I89 PolarHBondContact O-N 3.34Å; M84-I89 HydrophobicContact SD-CB 3.9Å; M84-I89 HydrophobicContact SD-CG2 3.7Å; L87-I89 VanDerWaalsContact C-N 3.31Å; L87-I89 HydrophobicContact CB-CD1 3.84Å; L87-I89 HydrophobicContact CB-CG1 3.93Å; L87-I89 HydrophobicContact CD1-CD1 4.16Å; L87-I89 PolarHBondContact O-N 3.28Å; I89-C135 HydrophobicContact CD1-CB 3.64Å
90Q97.9Very high97.5Very high165 Ų16560.4 Ų60.477%0.77133%0.333SS*.PPolyproline II helixtrans-87149.1175.6-62.2-177.321.300110.5G131Q90-G131 VanDerWaalsContact O-CA 3.32Å; Q90-G131 WeakPolarHBondContact O-CA 3.32Å
91Y98.3Very high97.4Very high44 Ų4467.2 Ų67.217%0.17336%0.359CS..PPolyproline II helixtrans-63.9144.8168.5-64.6-84000110.3M84 D93 R96 Q97 A100 L126 D129 I132M84-Y91 HydrophobicContact CE-CD1 3.89Å; M84-Y91 HydrophobicContact CE-CD2 4.41Å; M84-Y91 HydrophobicContact CE-CE1 4.03Å; M84-Y91 HydrophobicContact CE-CG 4.09Å; Y91-D93 WeakPolarHBondContact CB-O 3.29Å; Y91-R96 HydrophobicContact CD1-CB 3.57Å; Y91-R96 HydrophobicContact CE1-CB 4.28Å; Y91-R96 HydrophobicContact CG-CB 3.98Å; Y91-Q97 HydrophobicContact CD2-CB 3.97Å; Y91-Q97 HydrophobicContact CD2-CG 4.4Å; Y91-Q97 HydrophobicContact CE2-CB 4.12Å; Y91-Q97 HydrophobicContact CE2-CG 4.22Å; Y91-A100 HydrophobicContact CE1-CB 4.17Å; Y91-A100 WeakPolarHBondContact OH-CB 3.31Å; Y91-L126 HydrophobicContact CE1-CD2 4.07Å; Y91-D129 WeakPolarHBondContact CA-OD2 3.15Å; Y91-I132 HydrophobicContact CD1-CG1 4.3Å; Y91-I132 HydrophobicContact CE1-CD1 4Å; Y91-I132 HydrophobicContact CE1-CG1 4.16Å
92G97.6Very high97.4Very high49 Ų4971.5 Ų71.551%0.50538%0.377SS..SBendtrans-65.4-41.4173.900000112.3D129 S130G92-D129 VanDerWaalsContact CA-OD1 3.32Å; G92-D129 WeakPolarHBondContact CA-OD1 3.15Å; G92-D129 VanDerWaalsContact N-CG 3.33Å; G92-D129 PolarHBondContact N-OD1 3.28Å; G92-D129 PolarHBondContact N-OD2 3.02Å; G92-S130 VanDerWaalsContact CA-OG 3.29Å; G92-S130 WeakPolarHBondContact CA-OG 3.46Å
93D97.3Very high97.4Very high67 Ų6765.4 Ų65.436%0.35835%0.354SS..SBendtrans-111121.3170.3172.49.8000110.2Y91 A95 R96 D129Y91-D93 WeakPolarHBondContact CB-O 3.29Å; D93-A95 PolarHBondContact O-N 3.01Å; D93-A95 WeakPolarHBondContact OD1-CB 3.38Å; D93-A95 PolarHBondContact OD1-N 3.44Å; D93-R96 HydrophobicContact CB-CG 4.01Å; D93-R96 WeakPolarHBondContact O-CB 3.47Å; D93-R96 WeakPolarHBondContact O-CG 3.5Å; D93-R96 PolarHBondContact O-N 3Å; D93-R96 IonicContact OD2-CZ 2.77Å; D93-R96 IonicContact OD2-NH1 3.28Å; D93-R96 PolarHBondContact OD2-NH1 3.25Å; D93-R96 IonicContact OD2-NH2 2.57Å; D93-D129 PolarHBondContact N-OD1 2.94Å
94S95.2Very high97.3Very high101 Ų10168.5 Ų68.571%0.70637%0.369SS*.THydrogen-bonded Turntrans-53.8-28.2177.763.70000114R96 Q97S94-R96 PolarHBondContact O-N 3.39Å; S94-Q97 WeakPolarHBondContact O-CB 3.38Å; S94-Q97 PolarHBondContact O-N 3.44Å
95A95.9Very high97.2Very high45 Ų4574.4 Ų74.437%0.37240%0.396SS..THydrogen-bonded Turntrans-64.4-24.5175.700000112.7D93 Q97 D98 D99D93-A95 PolarHBondContact O-N 3.01Å; D93-A95 WeakPolarHBondContact OD1-CB 3.38Å; D93-A95 PolarHBondContact OD1-N 3.44Å; A95-Q97 PolarHBondContact O-N 3.24Å; A95-D98 PolarHBondContact O-N 2.86Å; A95-D98 VanDerWaalsContact O-N 3.16Å; A95-D99 PolarHBondContact O-N 3.38Å
96R97.9Very high97.2Very high43 Ų4369.8 Ų69.816%0.16237%0.366CS..Hα-helixtrans-67.9-21.2177.3-60.7-68.98875.67.8112.9Y91 D93 S94 D98 D99 A100 R125 L126 D129Y91-R96 HydrophobicContact CD1-CB 3.57Å; Y91-R96 HydrophobicContact CE1-CB 4.28Å; Y91-R96 HydrophobicContact CG-CB 3.98Å; D93-R96 HydrophobicContact CB-CG 4.01Å; D93-R96 WeakPolarHBondContact O-CB 3.47Å; D93-R96 WeakPolarHBondContact O-CG 3.5Å; D93-R96 PolarHBondContact O-N 3Å; D93-R96 IonicContact OD2-CZ 2.77Å; D93-R96 IonicContact OD2-NH1 3.28Å; D93-R96 PolarHBondContact OD2-NH1 3.25Å; D93-R96 IonicContact OD2-NH2 2.57Å; S94-R96 PolarHBondContact O-N 3.39Å; R96-D98 VanDerWaalsContact C-N 3.26Å; R96-D98 PolarHBondContact O-N 3.48Å; R96-D99 IonicContact CZ-OD2 2.82Å; R96-D99 VanDerWaalsContact CZ-OD2 3.27Å; R96-D99 IonicContact NE-OD2 3.83Å; R96-D99 PolarHBondContact NE-OD2 3.2Å; R96-D99 IonicContact NH2-OD2 3.49Å; R96-D99 PolarHBondContact NH2-OD2 3.27Å; R96-D99 PolarHBondContact O-N 2.96Å; R96-A100 WeakPolarHBondContact O-CB 3.38Å; R96-A100 PolarHBondContact O-N 3.16Å; R96-R125 WeakPolarHBondContact CD-O 3.43Å; R96-L126 HydrophobicContact CB-CD2 4.05Å; R96-D129 HydrophobicContact CG-CB 3.99Å; R96-D129 WeakPolarHBondContact CG-OD1 3.25Å
97Q97Very high97.1Very high116 Ų11665.4 Ų65.454%0.54234%0.343SS..Hα-helixtrans-64-33.6172.4-168.3-179.523.200112.1Y91 S94 A95 R101Y91-Q97 HydrophobicContact CD2-CB 3.97Å; Y91-Q97 HydrophobicContact CD2-CG 4.4Å; Y91-Q97 HydrophobicContact CE2-CB 4.12Å; Y91-Q97 HydrophobicContact CE2-CG 4.22Å; S94-Q97 WeakPolarHBondContact O-CB 3.38Å; S94-Q97 PolarHBondContact O-N 3.44Å; A95-Q97 PolarHBondContact O-N 3.24Å; Q97-R101 WeakPolarHBondContact O-CG 3.43Å; Q97-R101 PolarHBondContact O-N 2.82Å; Q97-R101 PolarHBondContact O-NE 3.07Å
98D97.3Very high96.9Very high53 Ų5370.5 Ų70.528%0.28337%0.37SS..Hα-helixtrans-73.6-42.5173.9-169.169000111.6A95 R96 A100 R101 K102A95-D98 PolarHBondContact O-N 2.86Å; A95-D98 VanDerWaalsContact O-N 3.16Å; R96-D98 VanDerWaalsContact C-N 3.26Å; R96-D98 PolarHBondContact O-N 3.48Å; D98-A100 VanDerWaalsContact C-N 3.31Å; D98-A100 PolarHBondContact O-N 3.15Å; D98-R101 PolarHBondContact O-N 2.92Å; D98-R101 IonicContact OD1-CZ 3.27Å; D98-R101 IonicContact OD1-NH1 2.7Å; D98-R101 IonicContact OD1-NH2 3.03Å; D98-R101 PolarHBondContact OD1-NH2 3.1Å; D98-K102 WeakPolarHBondContact O-CG 3.43Å; D98-K102 PolarHBondContact O-N 2.57Å; D98-K102 WeakPolarHBondContact OD2-CE 3.43Å; D98-K102 IonicContact OD2-NZ 3.52Å; D98-K102 PolarHBondContact OD2-NZ 3.42Å
99D98.2Very high96.6Very high8 Ų868 Ų684%0.04336%0.36CS..Hα-helixtrans-56.8-43.8173.5-81.2-28.3000111.6A95 R96 K102 L103 I122 R125 L126A95-D99 PolarHBondContact O-N 3.38Å; R96-D99 IonicContact CZ-OD2 2.82Å; R96-D99 VanDerWaalsContact CZ-OD2 3.27Å; R96-D99 IonicContact NE-OD2 3.83Å; R96-D99 PolarHBondContact NE-OD2 3.2Å; R96-D99 IonicContact NH2-OD2 3.49Å; R96-D99 PolarHBondContact NH2-OD2 3.27Å; R96-D99 PolarHBondContact O-N 2.96Å; D99-K102 PolarHBondContact O-N 2.98Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 2.77Å; D99-I122 HydrophobicContact CB-CG2 4.01Å; D99-I122 WeakPolarHBondContact O-CG2 3.47Å; D99-R125 IonicContact OD1-CZ 2.78Å; D99-R125 IonicContact OD1-NE 3.66Å; D99-R125 IonicContact OD1-NH2 2.76Å; D99-R125 PolarHBondContact OD1-NH2 2.8Å; D99-R125 IonicContact OD2-CZ 2.61Å; D99-R125 IonicContact OD2-NE 3.38Å; D99-R125 PolarHBondContact OD2-NE 3.27Å; D99-R125 IonicContact OD2-NH2 3.65Å; D99-L126 HydrophobicContact CB-CD2 4.05Å; D99-L126 HydrophobicContact CB-CG 4.15Å
100A98Very high96.3Very high1 Ų168.9 Ų68.91%0.00836%0.364CS..Hα-helixtrans-63.6-42.5176.600000112.8V81 Y91 R96 D98 L103 M104 L126V81-A100 HydrophobicContact CG1-CB 3.9Å; V81-A100 HydrophobicContact CG2-CB 4.33Å; Y91-A100 HydrophobicContact CE1-CB 4.17Å; Y91-A100 WeakPolarHBondContact OH-CB 3.31Å; R96-A100 WeakPolarHBondContact O-CB 3.38Å; R96-A100 PolarHBondContact O-N 3.16Å; D98-A100 VanDerWaalsContact C-N 3.31Å; D98-A100 PolarHBondContact O-N 3.15Å; A100-L103 PolarHBondContact O-N 2.85Å; A100-M104 WeakPolarHBondContact O-CG 3.18Å; A100-M104 PolarHBondContact O-N 2.85Å; A100-L126 HydrophobicContact CB-CD2 4.17Å
101R97.1Very high96Very high143 Ų14368.3 Ų68.354%0.5436%0.362SS..Hα-helixtrans-62.7-44.4175.4-76.8-175.4-68130.34.8111.7Q97 D98 M104 H105Q97-R101 WeakPolarHBondContact O-CG 3.43Å; Q97-R101 PolarHBondContact O-N 2.82Å; Q97-R101 PolarHBondContact O-NE 3.07Å; D98-R101 PolarHBondContact O-N 2.92Å; D98-R101 IonicContact OD1-CZ 3.27Å; D98-R101 IonicContact OD1-NH1 2.7Å; D98-R101 IonicContact OD1-NH2 3.03Å; D98-R101 PolarHBondContact OD1-NH2 3.1Å; R101-M104 HydrophobicContact CG-CE 4.39Å; R101-M104 PolarHBondContact O-N 2.81Å; R101-H105 PolarHBondContact O-N 2.79Å
102K97.4Very high95.5Very high93 Ų9374.7 Ų74.740%0.40439%0.393SS..Hα-helixtrans-60.9-46.4175.4-75.9170.8172.21600111.6D98 D99 M104 H105 M106 I122D98-K102 WeakPolarHBondContact O-CG 3.43Å; D98-K102 PolarHBondContact O-N 2.57Å; D98-K102 WeakPolarHBondContact OD2-CE 3.43Å; D98-K102 IonicContact OD2-NZ 3.52Å; D98-K102 PolarHBondContact OD2-NZ 3.42Å; D99-K102 PolarHBondContact O-N 2.98Å; K102-M104 VanDerWaalsContact C-N 3.34Å; K102-M104 PolarHBondContact O-N 2.82Å; K102-H105 PolarHBondContact O-N 2.84Å; K102-M106 WeakPolarHBondContact O-CB 3.38Å; K102-M106 VanDerWaalsContact O-CG 3.29Å; K102-M106 WeakPolarHBondContact O-CG 3.42Å; K102-M106 PolarHBondContact O-N 3.09Å; K102-I122 HydrophobicContact CB-CD1 4.08Å
103L97.7Very high95.2Very high1 Ų173.1 Ų73.11%0.00538%0.377CS..Hα-helixtrans-59.8-43.3179.3-173.864.1000112.3L74 I77 L78 D99 A100 H105 M106 A107 M119 I122 I123 L126L74-L103 HydrophobicContact CD1-CD1 3.91Å; L74-L103 HydrophobicContact CD1-CG 4.4Å; I77-L103 HydrophobicContact CG1-CD2 4.01Å; I77-L103 HydrophobicContact CG2-CD2 3.79Å; L78-L103 HydrophobicContact CD2-CD2 4.28Å; L78-L103 HydrophobicContact CD2-CG 4.12Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 2.77Å; A100-L103 PolarHBondContact O-N 2.85Å; L103-H105 VanDerWaalsContact C-N 3.35Å; L103-H105 PolarHBondContact O-N 3.23Å; L103-M106 PolarHBondContact O-N 2.87Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 3.47Å; L103-M119 HydrophobicContact CD1-CG 3.75Å; L103-I122 HydrophobicContact CB-CG2 3.87Å; L103-I122 HydrophobicContact CD1-CG2 4.26Å; L103-I122 HydrophobicContact CG-CG2 4.45Å; L103-I123 HydrophobicContact CD1-CD1 4.14Å; L103-I123 HydrophobicContact CD1-CG1 3.76Å; L103-I123 HydrophobicContact CD2-CG1 4.03Å; L103-L126 HydrophobicContact CB-CD1 4.35Å; L103-L126 HydrophobicContact CD2-CD1 3.63Å
104M96.2Very high95.1Very high71 Ų7172.1 Ų72.135%0.3537%0.373SS..Hα-helixtrans-61.1-43.7176.6-72.8-174.6-73.100111.6L78 V81 A100 R101 K102 A107 D108L78-M104 HydrophobicContact CD2-CG 4.08Å; V81-M104 HydrophobicContact CG1-CE 4.38Å; V81-M104 HydrophobicContact CG1-CG 4.49Å; V81-M104 HydrophobicContact CG1-SD 4.23Å; A100-M104 WeakPolarHBondContact O-CG 3.18Å; A100-M104 PolarHBondContact O-N 2.85Å; R101-M104 HydrophobicContact CG-CE 4.39Å; R101-M104 PolarHBondContact O-N 2.81Å; K102-M104 VanDerWaalsContact C-N 3.34Å; K102-M104 PolarHBondContact O-N 2.82Å; M104-A107 PolarHBondContact O-N 2.88Å; M104-D108 PolarHBondContact O-N 3.47Å
105H96.1Very high95.2Very high125 Ų12568.2 Ų68.258%0.57934%0.344SS*.Hα-helixtrans-64.9-40.8176.1-177.358.1000112.9R101 K102 L103 A107 D108 T109R101-H105 PolarHBondContact O-N 2.79Å; K102-H105 PolarHBondContact O-N 2.84Å; L103-H105 VanDerWaalsContact C-N 3.35Å; L103-H105 PolarHBondContact O-N 3.23Å; H105-A107 VanDerWaalsContact C-N 3.32Å; H105-A107 PolarHBondContact O-N 2.72Å; H105-D108 PolarHBondContact O-N 3.27Å; H105-T109 WeakPolarHBondContact O-CG2 3.31Å; H105-T109 PolarHBondContact O-N 3.27Å; H105-T109 PolarHBondContact O-OG1 3.29Å
106M96.4Very high95.2Very high19 Ų1968.5 Ų68.59%0.09434%0.342CS..Hα-helixtrans-61.8-39.9175.5-76.3-179.987.300111.9K102 L103 D108 T109 I110 E118 M119 I122K102-M106 WeakPolarHBondContact O-CB 3.38Å; K102-M106 VanDerWaalsContact O-CG 3.29Å; K102-M106 WeakPolarHBondContact O-CG 3.42Å; K102-M106 PolarHBondContact O-N 3.09Å; L103-M106 PolarHBondContact O-N 2.87Å; M106-D108 PolarHBondContact O-N 3.21Å; M106-T109 WeakPolarHBondContact CA-OG1 3.34Å; M106-T109 PolarHBondContact O-N 3.2Å; M106-T109 PolarHBondContact O-OG1 3.34Å; M106-I110 HydrophobicContact CB-CD1 3.86Å; M106-I110 HydrophobicContact CE-CD1 3.47Å; M106-I110 VanDerWaalsContact CE-CD1 3.47Å; M106-I110 HydrophobicContact CG-CD1 4.1Å; M106-I110 VanDerWaalsContact O-CB 3.3Å; M106-I110 WeakPolarHBondContact O-CB 3.22Å; M106-I110 PolarHBondContact O-N 3.29Å; M106-E118 HydrophobicContact CE-CB 4.14Å; M106-E118 HydrophobicContact CE-CG 4.07Å; M106-E118 HydrophobicContact SD-CG 4.41Å; M106-M119 HydrophobicContact CB-CE 4.19Å; M106-M119 HydrophobicContact CE-CB 3.66Å; M106-M119 HydrophobicContact CE-CG 4.44Å; M106-M119 HydrophobicContact SD-CB 4.49Å; M106-I122 HydrophobicContact SD-CD1 3.68Å
107A94.7Very high95.1Very high28 Ų2872.5 Ų72.523%0.23136%0.361CS..Hα-helixtrans-63.5-28.8178.700000113.5L74 L78 L103 M104 H105L74-A107 HydrophobicContact CD1-CB 4.46Å; L74-A107 HydrophobicContact CD2-CB 4.32Å; L78-A107 HydrophobicContact CD1-CB 3.59Å; L78-A107 HydrophobicContact CD2-CB 4.18Å; L78-A107 HydrophobicContact CG-CB 4.49Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 3.47Å; M104-A107 PolarHBondContact O-N 2.88Å; H105-A107 VanDerWaalsContact C-N 3.32Å; H105-A107 PolarHBondContact O-N 2.72Å
108D92.4Very high95.1Very high139 Ų13973 Ų7374%0.74336%0.363SS*.Hα-helixtrans-85.7-14.2178.1-65.3-27.7000113.2M104 H105 M106M104-D108 PolarHBondContact O-N 3.47Å; H105-D108 PolarHBondContact O-N 3.27Å; M106-D108 PolarHBondContact O-N 3.21Å
109T92.5Very high95.1Very high88 Ų8870.5 Ų70.554%0.5435%0.35SS..Hα-helixtrans-117-26.8-169.950.70000114.3H105 M106H105-T109 WeakPolarHBondContact O-CG2 3.31Å; H105-T109 PolarHBondContact O-N 3.27Å; H105-T109 PolarHBondContact O-OG1 3.29Å; M106-T109 WeakPolarHBondContact CA-OG1 3.34Å; M106-T109 PolarHBondContact O-N 3.2Å; M106-T109 PolarHBondContact O-OG1 3.34Å
110I90.9Very high95.1Very high47 Ų4770.1 Ų70.124%0.24135%0.348CS..SBendtrans-87146.7-178.5-71.5169.1000110.2M106 E112 T114 P116 M119M106-I110 HydrophobicContact CB-CD1 3.86Å; M106-I110 HydrophobicContact CE-CD1 3.47Å; M106-I110 VanDerWaalsContact CE-CD1 3.47Å; M106-I110 HydrophobicContact CG-CD1 4.1Å; M106-I110 VanDerWaalsContact O-CB 3.3Å; M106-I110 WeakPolarHBondContact O-CB 3.22Å; M106-I110 PolarHBondContact O-N 3.29Å; I110-E112 PolarHBondContact O-N 2.66Å; I110-T114 WeakPolarHBondContact CG2-OG1 3.34Å; I110-P116 HydrophobicContact CD1-CG 4.09Å; I110-P116 HydrophobicContact CG2-CG 4.02Å; I110-M119 HydrophobicContact CB-CE 3.98Å; I110-M119 HydrophobicContact CD1-CE 3.47Å; I110-M119 VanDerWaalsContact CD1-CE 3.47Å; I110-M119 HydrophobicContact CG1-CE 4.3Å; I110-M119 HydrophobicContact CG2-CE 3.89Å
111E91.3Very high95.1Very high154 Ų15472.4 Ų72.472%0.7236%0.359SS*.PPolyproline II helixtrans-57.2130.2176.4-175.9176.2-170.100111.4G113 T114E111-G113 PolarHBondContact O-N 2.91Å; E111-T114 HydrophobicContact CB-CG2 3.96Å; E111-T114 HydrophobicContact CG-CG2 4.14Å; E111-T114 PolarHBondContact O-N 2.8Å; E111-T114 PolarHBondContact O-OG1 3.39Å
112E89.2Confident95.2Very high178 Ų17865.7 Ų65.783%0.83233%0.334SS*.THydrogen-bonded Turntrans-59136.5179.9-171.6174.1-171.400111I110 T114I110-E112 PolarHBondContact O-N 2.66Å; E112-T114 VanDerWaalsContact C-N 3.32Å
113G90.9Very high95.2Very high16 Ų1661.2 Ų61.217%0.16532%0.315CS..THydrogen-bonded Turntrans80.69.4-178.900000114.8A67 Y70 E111A67-G113 WeakPolarHBondContact CA-O 3.39Å; A67-G113 WeakPolarHBondContact O-CA 3.18Å; Y70-G113 WeakPolarHBondContact CD2-O 3.03Å; E111-G113 PolarHBondContact O-N 2.91Å
114T95.3Very high95.3Very high45 Ų4562.9 Ų62.928%0.27632%0.323SS..  trans-104158169.870.90000111.6I110 E111 E112I110-T114 WeakPolarHBondContact CG2-OG1 3.34Å; E111-T114 HydrophobicContact CB-CG2 3.96Å; E111-T114 HydrophobicContact CG-CG2 4.14Å; E111-T114 PolarHBondContact O-N 2.8Å; E111-T114 PolarHBondContact O-OG1 3.39Å; E112-T114 VanDerWaalsContact C-N 3.32Å
115M96.9Very high95.4Very high20 Ų2064.1 Ų64.110%0.09932%0.324CS..  trans-137.776.5178.3-172.264.764.800110.8Y70 T73 M119 I123 V159Y70-M115 HydrophobicContact CD1-CB 4.02Å; Y70-M115 HydrophobicContact CD1-CE 4.46Å; Y70-M115 HydrophobicContact CD2-CB 3.5Å; Y70-M115 VanDerWaalsContact CD2-CB 3.5Å; Y70-M115 HydrophobicContact CE1-CB 4.17Å; Y70-M115 HydrophobicContact CE2-CB 3.67Å; Y70-M115 HydrophobicContact CG-CB 3.68Å; Y70-M115 HydrophobicContact CG-CE 4.41Å; T73-M115 HydrophobicContact CG2-CE 4.47Å; M115-M119 HydrophobicContact CE-SD 4.36Å; M115-M119 HydrophobicContact SD-CB 4.34Å; M115-M119 HydrophobicContact SD-CG 4.01Å; M115-M119 HydrophobicContact SD-SD 3.73Å; M115-I123 HydrophobicContact CE-CD1 4.12Å; M115-I123 HydrophobicContact SD-CD1 3.85Å; M115-V159 HydrophobicContact CB-CG1 4.35Å; M115-V159 HydrophobicContact CG-CG1 3.5Å
116P96.1Very high95.5Very high50 Ų5058.2 Ų58.233%0.32530%0.296SS..  trans-60151.8177.8-26.538.5000112.4I110 E118 M119 S120I110-P116 HydrophobicContact CD1-CG 4.09Å; I110-P116 HydrophobicContact CG2-CG 4.02Å; P116-E118 VanDerWaalsContact C-N 3.32Å; P116-E118 PolarHBondContact O-N 3.18Å; P116-M119 WeakPolarHBondContact O-CA 3.35Å; P116-M119 WeakPolarHBondContact O-CB 3.28Å; P116-M119 PolarHBondContact O-N 3.13Å; P116-S120 PolarHBondContact O-N 3.42Å
117K96.2Very high95.6Very high128 Ų12858.4 Ų58.456%0.55730%0.296SS*.Hα-helixtrans-53.9-46.8-174.5-177.455.3177.31550112.7M119 S120 D121K117-M119 VanDerWaalsContact C-N 3.31Å; K117-M119 PolarHBondContact O-N 2.89Å; K117-S120 PolarHBondContact O-N 3.19Å; K117-S120 PolarHBondContact O-OG 3.48Å; K117-D121 VanDerWaalsContact CE-OD1 3.25Å; K117-D121 WeakPolarHBondContact CE-OD1 3.48Å; K117-D121 WeakPolarHBondContact CE-OD2 3.08Å; K117-D121 IonicContact NZ-OD1 3.27Å; K117-D121 PolarHBondContact NZ-OD1 2.9Å; K117-D121 IonicContact NZ-OD2 3.52Å; K117-D121 VanDerWaalsContact O-CG 3.25Å; K117-D121 PolarHBondContact O-N 2.99Å
118E96.8Very high95.8Very high126 Ų12664.8 Ų64.859%0.58932%0.318SS*.Hα-helixtrans-56.7-42.7176.7-178176.1-165.700112.5M106 P116 D121 I122M106-E118 HydrophobicContact CE-CB 4.14Å; M106-E118 HydrophobicContact CE-CG 4.07Å; M106-E118 HydrophobicContact SD-CG 4.41Å; P116-E118 VanDerWaalsContact C-N 3.32Å; P116-E118 PolarHBondContact O-N 3.18Å; E118-D121 PolarHBondContact O-N 3.43Å; E118-I122 HydrophobicContact CG-CD1 4.1Å; E118-I122 WeakPolarHBondContact O-CG1 3.42Å; E118-I122 PolarHBondContact O-N 2.75Å
119M97.5Very high96.1Very high1 Ų158.6 Ų58.61%0.00529%0.285CS..Hα-helixtrans-63.3-49.9177.5-172.2-172.6-73.700110.1L74 L103 M106 I110 M115 P116 K117 D121 I122 I123L74-M119 HydrophobicContact CD1-SD 3.94Å; L74-M119 HydrophobicContact CD2-CE 4.26Å; L74-M119 HydrophobicContact CD2-SD 4.09Å; L103-M119 HydrophobicContact CD1-CG 3.75Å; M106-M119 HydrophobicContact CB-CE 4.19Å; M106-M119 HydrophobicContact CE-CB 3.66Å; M106-M119 HydrophobicContact CE-CG 4.44Å; M106-M119 HydrophobicContact SD-CB 4.49Å; I110-M119 HydrophobicContact CB-CE 3.98Å; I110-M119 HydrophobicContact CD1-CE 3.47Å; I110-M119 VanDerWaalsContact CD1-CE 3.47Å; I110-M119 HydrophobicContact CG1-CE 4.3Å; I110-M119 HydrophobicContact CG2-CE 3.89Å; M115-M119 HydrophobicContact CE-SD 4.36Å; M115-M119 HydrophobicContact SD-CB 4.34Å; M115-M119 HydrophobicContact SD-CG 4.01Å; M115-M119 HydrophobicContact SD-SD 3.73Å; P116-M119 WeakPolarHBondContact O-CA 3.35Å; P116-M119 WeakPolarHBondContact O-CB 3.28Å; P116-M119 PolarHBondContact O-N 3.13Å; K117-M119 VanDerWaalsContact C-N 3.31Å; K117-M119 PolarHBondContact O-N 2.89Å; M119-D121 VanDerWaalsContact C-N 3.28Å; M119-D121 PolarHBondContact O-N 3.15Å; M119-I122 WeakPolarHBondContact O-CB 3.49Å; M119-I122 PolarHBondContact O-N 3.35Å; M119-I123 HydrophobicContact CG-CD1 3.96Å; M119-I123 HydrophobicContact CG-CG1 4.46Å; M119-I123 VanDerWaalsContact O-CG1 3.31Å; M119-I123 WeakPolarHBondContact O-CG1 3.5Å; M119-I123 PolarHBondContact O-N 2.93Å; M119-I123 HydrophobicContact SD-CD1 4.44Å
120S97.9Very high96.4Very high0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-60.5-38.8-179.971.60000112.2P116 K117 I123 Q124P116-S120 PolarHBondContact O-N 3.42Å; K117-S120 PolarHBondContact O-N 3.19Å; K117-S120 PolarHBondContact O-OG 3.48Å; S120-I123 PolarHBondContact O-N 3.27Å; S120-Q124 VanDerWaalsContact O-CG 3.3Å; S120-Q124 WeakPolarHBondContact O-CG 3.35Å; S120-Q124 PolarHBondContact O-N 3.14Å
121D98.1Very high96.7Very high48 Ų4856.3 Ų56.326%0.25728%0.278SS..Hα-helixtrans-67.9-38.4178.8-68.9-21.3000111.6K117 E118 M119 R125K117-D121 VanDerWaalsContact CE-OD1 3.25Å; K117-D121 WeakPolarHBondContact CE-OD1 3.48Å; K117-D121 WeakPolarHBondContact CE-OD2 3.08Å; K117-D121 IonicContact NZ-OD1 3.27Å; K117-D121 PolarHBondContact NZ-OD1 2.9Å; K117-D121 IonicContact NZ-OD2 3.52Å; K117-D121 VanDerWaalsContact O-CG 3.25Å; K117-D121 PolarHBondContact O-N 2.99Å; E118-D121 PolarHBondContact O-N 3.43Å; M119-D121 VanDerWaalsContact C-N 3.28Å; M119-D121 PolarHBondContact O-N 3.15Å; D121-R125 WeakPolarHBondContact O-CG 3.18Å; D121-R125 PolarHBondContact O-N 3.45Å; D121-R125 VanDerWaalsContact O-N 3.13Å; D121-R125 PolarHBondContact O-NH1 3.49Å
122I98.4Very high97.1Very high2 Ų249 Ų491%0.0124%0.244CC..Hα-helixtrans-62.2-49.5172.4-73.9165.5000110.5D99 K102 L103 M106 E118 M119 Q124 R125 L126D99-I122 HydrophobicContact CB-CG2 4.01Å; D99-I122 WeakPolarHBondContact O-CG2 3.47Å; K102-I122 HydrophobicContact CB-CD1 4.08Å; L103-I122 HydrophobicContact CB-CG2 3.87Å; L103-I122 HydrophobicContact CD1-CG2 4.26Å; L103-I122 HydrophobicContact CG-CG2 4.45Å; M106-I122 HydrophobicContact SD-CD1 3.68Å; E118-I122 HydrophobicContact CG-CD1 4.1Å; E118-I122 WeakPolarHBondContact O-CG1 3.42Å; E118-I122 PolarHBondContact O-N 2.75Å; M119-I122 WeakPolarHBondContact O-CB 3.49Å; M119-I122 PolarHBondContact O-N 3.35Å; I122-Q124 VanDerWaalsContact C-N 3.31Å; I122-Q124 PolarHBondContact O-N 3.5Å; I122-R125 PolarHBondContact O-N 2.91Å; I122-L126 HydrophobicContact CG2-CD1 3.72Å; I122-L126 HydrophobicContact CG2-CG 4.36Å; I122-L126 WeakPolarHBondContact O-CG 3.15Å; I122-L126 PolarHBondContact O-N 3.28Å
123I98.6Very high97.5Very high0 Ų043.5 Ų43.50%022%0.218CC..Hα-helixtrans-60.9-41.9-179.6-63.7173.9000110.7L74 I77 L103 M115 M119 S120 R125 L126 W127 L152 L155L74-I123 HydrophobicContact CD1-CD1 4.26Å; I77-I123 HydrophobicContact CB-CG2 4.26Å; I77-I123 HydrophobicContact CG1-CG2 4.22Å; I77-I123 HydrophobicContact CG2-CD1 4.01Å; I77-I123 HydrophobicContact CG2-CG1 4Å; I77-I123 HydrophobicContact CG2-CG2 4.17Å; L103-I123 HydrophobicContact CD1-CD1 4.14Å; L103-I123 HydrophobicContact CD1-CG1 3.76Å; L103-I123 HydrophobicContact CD2-CG1 4.03Å; M115-I123 HydrophobicContact CE-CD1 4.12Å; M115-I123 HydrophobicContact SD-CD1 3.85Å; M119-I123 HydrophobicContact CG-CD1 3.96Å; M119-I123 HydrophobicContact CG-CG1 4.46Å; M119-I123 VanDerWaalsContact O-CG1 3.31Å; M119-I123 WeakPolarHBondContact O-CG1 3.5Å; M119-I123 PolarHBondContact O-N 2.93Å; M119-I123 HydrophobicContact SD-CD1 4.44Å; S120-I123 PolarHBondContact O-N 3.27Å; I123-R125 PolarHBondContact O-N 3.27Å; I123-L126 PolarHBondContact O-N 3.41Å; I123-W127 WeakPolarHBondContact O-CB 3.15Å; I123-W127 PolarHBondContact O-N 3.29Å; I123-L152 HydrophobicContact CG2-CD2 3.68Å; I123-L155 HydrophobicContact CB-CD2 3.64Å; I123-L155 HydrophobicContact CG2-CD2 3.43Å; I123-L155 VanDerWaalsContact CG2-CD2 3.43Å
124Q98.4Very high97.9Very high36 Ų3644.6 Ų44.617%0.16823%0.225CC..Hα-helixtrans-62.5-40.5176.8-73.3-177.728.600112.7S120 I122 K128 L155S120-Q124 VanDerWaalsContact O-CG 3.3Å; S120-Q124 WeakPolarHBondContact O-CG 3.35Å; S120-Q124 PolarHBondContact O-N 3.14Å; I122-Q124 VanDerWaalsContact C-N 3.31Å; I122-Q124 PolarHBondContact O-N 3.5Å; Q124-K128 WeakPolarHBondContact O-CG 3.29Å; Q124-K128 PolarHBondContact O-N 3.43Å; Q124-L155 HydrophobicContact CG-CB 4.36Å; Q124-L155 HydrophobicContact CG-CD2 3.85Å; Q124-L155 HydrophobicContact CG-CG 4.23Å
125R98.4Very high98Very high97 Ų9742.4 Ų42.437%0.36621%0.212SC..Hα-helixtrans-67-42.1175.7-73-168.9-58.3-86.27.1111.9R96 D99 D121 I122 I123 K128 D129R96-R125 WeakPolarHBondContact CD-O 3.43Å; D99-R125 IonicContact OD1-CZ 2.78Å; D99-R125 IonicContact OD1-NE 3.66Å; D99-R125 IonicContact OD1-NH2 2.76Å; D99-R125 PolarHBondContact OD1-NH2 2.8Å; D99-R125 IonicContact OD2-CZ 2.61Å; D99-R125 IonicContact OD2-NE 3.38Å; D99-R125 PolarHBondContact OD2-NE 3.27Å; D99-R125 IonicContact OD2-NH2 3.65Å; D121-R125 WeakPolarHBondContact O-CG 3.18Å; D121-R125 PolarHBondContact O-N 3.45Å; D121-R125 VanDerWaalsContact O-N 3.13Å; D121-R125 PolarHBondContact O-NH1 3.49Å; I122-R125 PolarHBondContact O-N 2.91Å; I123-R125 PolarHBondContact O-N 3.27Å; R125-K128 PolarHBondContact O-N 3.12Å; R125-D129 PolarHBondContact O-N 3.13Å
126L98.7Very high98.1Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-63.6-46.3176.1-72.4168.7000111.2I77 V81 Y91 R96 D99 A100 L103 I122 I123 K128 D129 I132I77-L126 HydrophobicContact CD1-CB 4.18Å; I77-L126 HydrophobicContact CG1-CD1 4.45Å; V81-L126 HydrophobicContact CG2-CD1 4.46Å; Y91-L126 HydrophobicContact CE1-CD2 4.07Å; R96-L126 HydrophobicContact CB-CD2 4.05Å; D99-L126 HydrophobicContact CB-CD2 4.05Å; D99-L126 HydrophobicContact CB-CG 4.15Å; A100-L126 HydrophobicContact CB-CD2 4.17Å; L103-L126 HydrophobicContact CB-CD1 4.35Å; L103-L126 HydrophobicContact CD2-CD1 3.63Å; I122-L126 HydrophobicContact CG2-CD1 3.72Å; I122-L126 HydrophobicContact CG2-CG 4.36Å; I122-L126 WeakPolarHBondContact O-CG 3.15Å; I122-L126 PolarHBondContact O-N 3.28Å; I123-L126 PolarHBondContact O-N 3.41Å; L126-K128 PolarHBondContact O-N 3.18Å; L126-D129 WeakPolarHBondContact O-CB 3.42Å; L126-D129 PolarHBondContact O-N 3.17Å; L126-I132 WeakPolarHBondContact O-CB 3.49Å; L126-I132 WeakPolarHBondContact O-CG1 3.2Å; L126-I132 WeakPolarHBondContact O-CG2 3.35Å
127W98.6Very high98.1Very high23 Ų2348.2 Ų48.29%0.08723%0.234CC..Hα-helixtrans-61.4-33.2-179.4-175.1-124.6000112.8I80 I123 D129 I132 Q133 F136 L152 S153I80-W127 HydrophobicContact CD1-CE3 4.47Å; I80-W127 HydrophobicContact CD1-CZ3 3.9Å; I123-W127 WeakPolarHBondContact O-CB 3.15Å; I123-W127 PolarHBondContact O-N 3.29Å; W127-D129 VanDerWaalsContact C-N 3.29Å; W127-D129 PolarHBondContact O-N 3.29Å; W127-I132 HydrophobicContact CE3-CG2 4.02Å; W127-I132 HydrophobicContact CZ3-CG2 4.48Å; W127-Q133 VanDerWaalsContact CE2-NE2 3.29Å; W127-Q133 VanDerWaalsContact CE3-NE2 3.28Å; W127-Q133 PolarHBondContact O-NE2 3.07Å; W127-F136 HydrophobicContact CH2-CB 4.22Å; W127-F136 AromaticContact CH2-CD1 3.61Å; W127-F136 HydrophobicContact CH2-CD1 3.61Å; W127-F136 AromaticContact CH2-CD2 3.79Å; W127-F136 HydrophobicContact CH2-CD2 3.79Å; W127-F136 AromaticContact CH2-CE1 3.84Å; W127-F136 HydrophobicContact CH2-CE1 3.84Å; W127-F136 HydrophobicContact CH2-CE2 4.02Å; W127-F136 AromaticContact CH2-CG 3.58Å; W127-F136 HydrophobicContact CH2-CG 3.58Å; W127-F136 HydrophobicContact CH2-CZ 4.04Å; W127-F136 HydrophobicContact CZ3-CB 4.04Å; W127-F136 HydrophobicContact CZ3-CD1 4.3Å; W127-F136 AromaticContact CZ3-CD2 3.97Å; W127-F136 HydrophobicContact CZ3-CD2 3.97Å; W127-F136 AromaticContact CZ3-CG 3.83Å; W127-F136 HydrophobicContact CZ3-CG 3.83Å; W127-L152 HydrophobicContact CD2-CB 3.55Å; W127-L152 HydrophobicContact CD2-CD1 4.18Å; W127-L152 HydrophobicContact CD2-CG 4.44Å; W127-L152 HydrophobicContact CE3-CB 3.94Å; W127-L152 HydrophobicContact CE3-CD1 3.64Å; W127-L152 HydrophobicContact CE3-CG 4.37Å; W127-L152 HydrophobicContact CG-CB 3.85Å; W127-L152 HydrophobicContact CH2-CB 4.45Å; W127-L152 HydrophobicContact CH2-CD1 4.24Å; W127-L152 HydrophobicContact CZ2-CB 4.12Å; W127-L152 HydrophobicContact CZ3-CB 4.37Å; W127-L152 HydrophobicContact CZ3-CD1 3.69Å; W127-S153 PolarHBondContact NE1-OG 3Å; W127-S153 VanDerWaalsContact NE1-OG 3.13Å
128K98.4Very high98.1Very high163 Ų16346.3 Ų46.371%0.70922%0.223SC*.THydrogen-bonded Turntrans-78.4-8.1176.3-68.3173.5-176175.90114Q124 R125 L126Q124-K128 WeakPolarHBondContact O-CG 3.29Å; Q124-K128 PolarHBondContact O-N 3.43Å; R125-K128 PolarHBondContact O-N 3.12Å; L126-K128 PolarHBondContact O-N 3.18Å
129D98.7Very high98.1Very high9 Ų941.4 Ų41.45%0.04820%0.204CC..  trans-71.7136.4179.6-177.876.2000111.6Y91 G92 D93 R96 R125 L126 W127 G131 I132 Q133Y91-D129 WeakPolarHBondContact CA-OD2 3.15Å; G92-D129 VanDerWaalsContact CA-OD1 3.32Å; G92-D129 WeakPolarHBondContact CA-OD1 3.15Å; G92-D129 VanDerWaalsContact N-CG 3.33Å; G92-D129 PolarHBondContact N-OD1 3.28Å; G92-D129 PolarHBondContact N-OD2 3.02Å; D93-D129 PolarHBondContact N-OD1 2.94Å; R96-D129 HydrophobicContact CG-CB 3.99Å; R96-D129 WeakPolarHBondContact CG-OD1 3.25Å; R125-D129 PolarHBondContact O-N 3.13Å; L126-D129 WeakPolarHBondContact O-CB 3.42Å; L126-D129 PolarHBondContact O-N 3.17Å; W127-D129 VanDerWaalsContact C-N 3.29Å; W127-D129 PolarHBondContact O-N 3.29Å; D129-G131 VanDerWaalsContact C-N 3.32Å; D129-G131 PolarHBondContact O-N 2.96Å; D129-G131 VanDerWaalsContact OD2-CA 3.3Å; D129-G131 WeakPolarHBondContact OD2-CA 3.49Å; D129-G131 PolarHBondContact OD2-N 3.48Å; D129-I132 HydrophobicContact CB-CB 4.13Å; D129-I132 HydrophobicContact CB-CG1 4.06Å; D129-I132 PolarHBondContact O-N 3.49Å; D129-I132 PolarHBondContact OD2-N 3.42Å; D129-I132 VanDerWaalsContact OD2-N 3.16Å; D129-Q133 WeakPolarHBondContact O-CG 3.39Å; D129-Q133 PolarHBondContact O-N 3.31Å
130S98.5Very high98.1Very high82 Ų8243.3 Ų43.357%0.57322%0.217SC*.Hα-helixtrans-67.8-30.7-177.856.30000113.3G92 A134G92-S130 VanDerWaalsContact CA-OG 3.29Å; G92-S130 WeakPolarHBondContact CA-OG 3.46Å; S130-A134 WeakPolarHBondContact O-CB 3.26Å; S130-A134 PolarHBondContact O-N 3.48Å
131G98.6Very high98Very high5 Ų548.2 Ų48.25%0.05224%0.24CC..Hα-helixtrans-67.6-44.7174.100000111.6M84 Q90 D129 Q133 A134 C135M84-G131 VanDerWaalsContact SD-C 3.53Å; Q90-G131 VanDerWaalsContact O-CA 3.32Å; Q90-G131 WeakPolarHBondContact O-CA 3.32Å; D129-G131 VanDerWaalsContact C-N 3.32Å; D129-G131 PolarHBondContact O-N 2.96Å; D129-G131 VanDerWaalsContact OD2-CA 3.3Å; D129-G131 WeakPolarHBondContact OD2-CA 3.49Å; D129-G131 PolarHBondContact OD2-N 3.48Å; G131-Q133 PolarHBondContact O-N 3.43Å; G131-A134 PolarHBondContact O-N 3.38Å; G131-C135 WeakPolarHBondContact O-CB 3.39Å; G131-C135 PolarHBondContact O-N 2.87Å
132I98.7Very high97.9Very high0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-60.3-44.3173.8-69.9-71.4000111.2I77 I80 V81 M84 Y91 L126 W127 D129 C135 F136I77-I132 HydrophobicContact CD1-CG2 4.3Å; I80-I132 HydrophobicContact CG2-CD1 3.98Å; I80-I132 HydrophobicContact CG2-CG2 4.04Å; V81-I132 HydrophobicContact CG2-CD1 4.13Å; M84-I132 HydrophobicContact CE-CD1 4.46Å; M84-I132 HydrophobicContact CG-CD1 3.82Å; M84-I132 HydrophobicContact SD-CD1 4.05Å; Y91-I132 HydrophobicContact CD1-CG1 4.3Å; Y91-I132 HydrophobicContact CE1-CD1 4Å; Y91-I132 HydrophobicContact CE1-CG1 4.16Å; L126-I132 WeakPolarHBondContact O-CB 3.49Å; L126-I132 WeakPolarHBondContact O-CG1 3.2Å; L126-I132 WeakPolarHBondContact O-CG2 3.35Å; W127-I132 HydrophobicContact CE3-CG2 4.02Å; W127-I132 HydrophobicContact CZ3-CG2 4.48Å; D129-I132 HydrophobicContact CB-CB 4.13Å; D129-I132 HydrophobicContact CB-CG1 4.06Å; D129-I132 PolarHBondContact O-N 3.49Å; D129-I132 PolarHBondContact OD2-N 3.42Å; D129-I132 VanDerWaalsContact OD2-N 3.16Å; I132-C135 PolarHBondContact O-N 3.45Å; I132-F136 WeakPolarHBondContact O-CB 3.38Å; I132-F136 PolarHBondContact O-N 3.18Å
133Q98.7Very high97.9Very high62 Ų6250.5 Ų50.529%0.2925%0.248SC..Hα-helixtrans-62.7-43.4175.6-71.4-61.3-51.700112W127 D129 G131 C135 F136 E137W127-Q133 VanDerWaalsContact CE2-NE2 3.29Å; W127-Q133 VanDerWaalsContact CE3-NE2 3.28Å; W127-Q133 PolarHBondContact O-NE2 3.07Å; D129-Q133 WeakPolarHBondContact O-CG 3.39Å; D129-Q133 PolarHBondContact O-N 3.31Å; G131-Q133 PolarHBondContact O-N 3.43Å; Q133-C135 VanDerWaalsContact C-N 3.29Å; Q133-C135 PolarHBondContact O-N 3.48Å; Q133-F136 WeakPolarHBondContact O-CB 3.36Å; Q133-F136 PolarHBondContact O-N 2.83Å; Q133-F136 VanDerWaalsContact O-N 3.14Å; Q133-E137 WeakPolarHBondContact O-CG 3.4Å; Q133-E137 PolarHBondContact O-N 3.07Å
134A98.3Very high97.8Very high39 Ų3951.2 Ų51.232%0.32225%0.252SS..Hα-helixtrans-62.6-34.7175.300000112.7S130 G131S130-A134 WeakPolarHBondContact O-CB 3.26Å; S130-A134 PolarHBondContact O-N 3.48Å; G131-A134 PolarHBondContact O-N 3.38Å
135C98.5Very high97.5Very high0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-71.4-37173.3-172.10000112.2I80 M84 I89 G131 I132 Q133 E137 R138 Y142I80-C135 HydrophobicContact CG2-CB 4.02Å; M84-C135 HydrophobicContact CG-CB 4.13Å; M84-C135 HydrophobicContact SD-CB 3.36Å; M84-C135 WeakPolarHBondContact SD-CB 3.26Å; I89-C135 HydrophobicContact CD1-CB 3.64Å; G131-C135 WeakPolarHBondContact O-CB 3.39Å; G131-C135 PolarHBondContact O-N 2.87Å; I132-C135 PolarHBondContact O-N 3.45Å; Q133-C135 VanDerWaalsContact C-N 3.29Å; Q133-C135 PolarHBondContact O-N 3.48Å; C135-E137 VanDerWaalsContact C-N 3.31Å; C135-E137 PolarHBondContact O-N 3.17Å; C135-R138 CarbonylContact O-C 3.57Å; C135-R138 PolarHBondContact O-N 2.71Å; C135-R138 VanDerWaalsContact O-N 3.13Å; C135-Y142 WeakPolarHBondContact O-CE1 3.47Å; C135-Y142 PolarHBondContact O-OH 2.78Å
136F98.2Very high97.3Very high57 Ų5749.8 Ų49.825%0.2525%0.253CS..Hα-helixtrans-63.8-35.3174.1180-108.4000112.4I80 W127 I132 Q133 R138 A139 L144 A148I80-F136 HydrophobicContact CD1-CD2 4.03Å; W127-F136 HydrophobicContact CH2-CB 4.22Å; W127-F136 AromaticContact CH2-CD1 3.61Å; W127-F136 HydrophobicContact CH2-CD1 3.61Å; W127-F136 AromaticContact CH2-CD2 3.79Å; W127-F136 HydrophobicContact CH2-CD2 3.79Å; W127-F136 AromaticContact CH2-CE1 3.84Å; W127-F136 HydrophobicContact CH2-CE1 3.84Å; W127-F136 HydrophobicContact CH2-CE2 4.02Å; W127-F136 AromaticContact CH2-CG 3.58Å; W127-F136 HydrophobicContact CH2-CG 3.58Å; W127-F136 HydrophobicContact CH2-CZ 4.04Å; W127-F136 HydrophobicContact CZ3-CB 4.04Å; W127-F136 HydrophobicContact CZ3-CD1 4.3Å; W127-F136 AromaticContact CZ3-CD2 3.97Å; W127-F136 HydrophobicContact CZ3-CD2 3.97Å; W127-F136 AromaticContact CZ3-CG 3.83Å; W127-F136 HydrophobicContact CZ3-CG 3.83Å; I132-F136 WeakPolarHBondContact O-CB 3.38Å; I132-F136 PolarHBondContact O-N 3.18Å; Q133-F136 WeakPolarHBondContact O-CB 3.36Å; Q133-F136 PolarHBondContact O-N 2.83Å; Q133-F136 VanDerWaalsContact O-N 3.14Å; F136-R138 PolarHBondContact O-N 2.85Å; F136-R138 VanDerWaalsContact O-N 3.17Å; F136-A139 WeakPolarHBondContact O-CB 3.27Å; F136-A139 PolarHBondContact O-N 2.81Å; F136-A139 VanDerWaalsContact O-N 3.11Å; F136-L144 HydrophobicContact CD2-CD2 3.52Å; F136-L144 HydrophobicContact CE2-CD2 3.59Å; F136-A148 HydrophobicContact CE2-CB 4.19Å
137E96.6Very high97.2Very high134 Ų13450.7 Ų50.763%0.62626%0.259SS*.THydrogen-bonded Turntrans-62.4-20.8174-72.2179.1169.900113.6Q133 C135Q133-E137 WeakPolarHBondContact O-CG 3.4Å; Q133-E137 PolarHBondContact O-N 3.07Å; C135-E137 VanDerWaalsContact C-N 3.31Å; C135-E137 PolarHBondContact O-N 3.17Å
138R96.7Very high97.1Very high89 Ų8949.6 Ų49.634%0.33626%0.255SS..THydrogen-bonded Turntrans-101.321.8177.6-65.1173.866.3-173.1-1.3112.7L87 C135 F136 S140 E141 Y142L87-R138 HydrophobicContact CD1-CB 4.11Å; C135-R138 CarbonylContact O-C 3.57Å; C135-R138 PolarHBondContact O-N 2.71Å; C135-R138 VanDerWaalsContact O-N 3.13Å; F136-R138 PolarHBondContact O-N 2.85Å; F136-R138 VanDerWaalsContact O-N 3.17Å; R138-S140 PolarHBondContact O-N 3.39Å; R138-E141 WeakPolarHBondContact CB-OE1 3.46Å; R138-E141 WeakPolarHBondContact CG-OE1 3.45Å; R138-E141 IonicContact CZ-OE1 2.68Å; R138-E141 IonicContact CZ-OE2 3.54Å; R138-E141 IonicContact NE-OE1 3.46Å; R138-E141 PolarHBondContact NE-OE1 3.42Å; R138-E141 IonicContact NE-OE2 2.92Å; R138-E141 PolarHBondContact NE-OE2 3.3Å; R138-E141 IonicContact NH2-OE1 2.74Å; R138-E141 PolarHBondContact NH2-OE1 3.02Å; R138-E141 IonicContact NH2-OE2 2.8Å; R138-E141 PolarHBondContact NH2-OE2 2.82Å; R138-E141 WeakPolarHBondContact O-CB 3.26Å; R138-E141 PolarHBondContact O-N 2.99Å; R138-Y142 WeakPolarHBondContact O-CE1 3.48Å
139A96.9Very high97.1Very high23 Ų2342.6 Ų42.619%0.1923%0.229CC..G310 helixtrans-60.4-11.3-176.200000115.7F136 E141 L144F136-A139 WeakPolarHBondContact O-CB 3.27Å; F136-A139 PolarHBondContact O-N 2.81Å; F136-A139 VanDerWaalsContact O-N 3.11Å; A139-E141 VanDerWaalsContact C-N 3.31Å; A139-L144 HydrophobicContact CB-CB 4.29Å; A139-L144 HydrophobicContact CB-CD2 3.69Å
140S95.6Very high97.1Very high40 Ų4044.7 Ų44.728%0.2824%0.237SC..G310 helixtrans-74.7-19.9170.548.90000113.3R138 Y142 D227R138-S140 PolarHBondContact O-N 3.39Å; S140-Y142 VanDerWaalsContact C-N 3.33Å; S140-D227 WeakPolarHBondContact CB-OD2 3.03Å
141E96.3Very high97.1Very high103 Ų10340.9 Ų40.948%0.48121%0.21SC..G310 helixtrans-84.4-4.6-178.1-61178.6-128.900113.4L87 R138 A139L87-E141 HydrophobicContact CD1-CB 4.47Å; L87-E141 HydrophobicContact CD2-CB 4.25Å; L87-E141 WeakPolarHBondContact CD2-OE2 3.46Å; R138-E141 WeakPolarHBondContact CB-OE1 3.46Å; R138-E141 WeakPolarHBondContact CG-OE1 3.45Å; R138-E141 IonicContact CZ-OE1 2.68Å; R138-E141 IonicContact CZ-OE2 3.54Å; R138-E141 IonicContact NE-OE1 3.46Å; R138-E141 PolarHBondContact NE-OE1 3.42Å; R138-E141 IonicContact NE-OE2 2.92Å; R138-E141 PolarHBondContact NE-OE2 3.3Å; R138-E141 IonicContact NH2-OE1 2.74Å; R138-E141 PolarHBondContact NH2-OE1 3.02Å; R138-E141 IonicContact NH2-OE2 2.8Å; R138-E141 PolarHBondContact NH2-OE2 2.82Å; R138-E141 WeakPolarHBondContact O-CB 3.26Å; R138-E141 PolarHBondContact O-N 2.99Å; A139-E141 VanDerWaalsContact C-N 3.31Å
142Y97.4Very high97.1Very high30 Ų3040.8 Ų40.812%0.11821%0.208CC..SBendtrans-150.2172.4177.759.9-83.5000111.3I80 A83 L87 C135 R138 S140 L144I80-Y142 HydrophobicContact CG1-CE2 4.25Å; A83-Y142 HydrophobicContact CB-CD1 3.56Å; A83-Y142 HydrophobicContact CB-CD2 3.63Å; A83-Y142 HydrophobicContact CB-CE1 3.67Å; A83-Y142 HydrophobicContact CB-CE2 3.74Å; A83-Y142 HydrophobicContact CB-CG 3.53Å; L87-Y142 HydrophobicContact CD1-CD1 4.02Å; L87-Y142 HydrophobicContact CD1-CE1 4.11Å; C135-Y142 WeakPolarHBondContact O-CE1 3.47Å; C135-Y142 PolarHBondContact O-OH 2.78Å; R138-Y142 WeakPolarHBondContact O-CE1 3.48Å; S140-Y142 VanDerWaalsContact C-N 3.33Å; Y142-L144 HydrophobicContact CD2-CB 4.15Å; Y142-L144 HydrophobicContact CE2-CB 3.82Å; Y142-L144 HydrophobicContact CE2-CD1 4.36Å; Y142-L144 HydrophobicContact CE2-CD2 4.12Å; Y142-L144 HydrophobicContact CE2-CG 4.32Å; Y142-L144 PolarHBondContact O-N 2.9Å
143Q96.6Very high97.1Very high69 Ų6944.7 Ų44.732%0.32224%0.236SC..  trans-83.6101.9-176.3-56.1-59.7-27.100110.5V229 L230 V231Q143-V229 PolarHBondContact NE2-O 2.8Å; Q143-V229 VanDerWaalsContact NE2-O 3.14Å; Q143-L230 PolarHBondContact NE2-O 2.97Å; Q143-V231 HydrophobicContact CB-CG2 4.49Å; Q143-V231 HydrophobicContact CG-CG2 4.04Å; Q143-V231 VanDerWaalsContact OE1-CG2 3.3Å
144L97.2Very high97Very high14 Ų1444.4 Ų44.47%0.07324%0.236CC..  trans-128.8137175.9-170.264.8000111.4S76 A79 I80 F136 A139 Y142 A148S76-L144 WeakPolarHBondContact O-CD1 3.05Å; A79-L144 HydrophobicContact CB-CD1 4.02Å; I80-L144 HydrophobicContact CD1-CD1 4.33Å; I80-L144 HydrophobicContact CD1-CD2 4.21Å; I80-L144 HydrophobicContact CG1-CD1 3.9Å; I80-L144 HydrophobicContact CG1-CD2 4.01Å; F136-L144 HydrophobicContact CD2-CD2 3.52Å; F136-L144 HydrophobicContact CE2-CD2 3.59Å; A139-L144 HydrophobicContact CB-CB 4.29Å; A139-L144 HydrophobicContact CB-CD2 3.69Å; Y142-L144 HydrophobicContact CD2-CB 4.15Å; Y142-L144 HydrophobicContact CE2-CB 3.82Å; Y142-L144 HydrophobicContact CE2-CD1 4.36Å; Y142-L144 HydrophobicContact CE2-CD2 4.12Å; Y142-L144 HydrophobicContact CE2-CG 4.32Å; Y142-L144 PolarHBondContact O-N 2.9Å; L144-A148 HydrophobicContact CD1-CB 3.79Å; L144-A148 HydrophobicContact CD2-CB 3.92Å; L144-A148 HydrophobicContact CG-CB 3.77Å
145N93.1Very high97Very high41 Ų4142.6 Ų42.622%0.21922%0.221CC..  trans-67.3136.4174.7-68.3-38.4000111.1S147 A148N145-S147 PolarHBondContact O-N 2.76Å; N145-S147 VanDerWaalsContact O-N 3.11Å; N145-A148 WeakPolarHBondContact O-CB 3.38Å; N145-A148 PolarHBondContact O-N 3.47Å
146D93.1Very high97Very high62 Ų6249.4 Ų49.433%0.33225%0.252SS..THydrogen-bonded Turntrans-57-30.6177.4-61.9-41.8000113.4A148 K266D146-A148 PolarHBondContact O-N 3.18Å; D146-K266 VanDerWaalsContact OD2-CD 3.31Å; D146-K266 WeakPolarHBondContact OD2-CD 3.47Å; D146-K266 VanDerWaalsContact OD2-CE 3.27Å; D146-K266 WeakPolarHBondContact OD2-CE 3.3Å; D146-K266 IonicContact OD2-NZ 2.66Å; D146-K266 PolarHBondContact OD2-NZ 2.89Å
147S96.3Very high96.9Very high20 Ų2049.9 Ų49.914%0.1425%0.253CS..THydrogen-bonded Turntrans-74.1-4.7177.2-550000114.3N145 G149 Y150 Y151 R172N145-S147 PolarHBondContact O-N 2.76Å; N145-S147 VanDerWaalsContact O-N 3.11Å; S147-G149 PolarHBondContact O-N 3.38Å; S147-Y150 WeakPolarHBondContact O-CB 3.48Å; S147-Y150 PolarHBondContact O-N 3.24Å; S147-Y150 VanDerWaalsContact O-N 3.13Å; S147-Y151 WeakPolarHBondContact O-CD2 3.36Å; S147-Y151 PolarHBondContact O-N 3.26Å; S147-Y151 VanDerWaalsContact O-N 3.11Å; S147-R172 WeakPolarHBondContact CB-O 3.38Å; S147-R172 WeakPolarHBondContact OG-CB 3.17Å; S147-R172 PolarHBondContact OG-O 3.22Å
148A98.1Very high97Very high0 Ų043.5 Ų43.50%022%0.223CC..Hα-helixtrans-54.3-52.1-176.400000111.7S76 F136 L144 N145 D146 Y150 Y151 L152S76-A148 WeakPolarHBondContact OG-CB 3.39Å; F136-A148 HydrophobicContact CE2-CB 4.19Å; L144-A148 HydrophobicContact CD1-CB 3.79Å; L144-A148 HydrophobicContact CD2-CB 3.92Å; L144-A148 HydrophobicContact CG-CB 3.77Å; N145-A148 WeakPolarHBondContact O-CB 3.38Å; N145-A148 PolarHBondContact O-N 3.47Å; D146-A148 PolarHBondContact O-N 3.18Å; A148-Y150 VanDerWaalsContact C-N 3.28Å; A148-Y150 PolarHBondContact O-N 3.08Å; A148-Y151 PolarHBondContact O-N 2.89Å; A148-L152 HydrophobicContact CB-CD1 4.35Å; A148-L152 VanDerWaalsContact O-CB 3.29Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 WeakPolarHBondContact O-CD1 3.4Å; A148-L152 WeakPolarHBondContact O-CG 3.39Å; A148-L152 PolarHBondContact O-N 3.36Å
149G97.7Very high97Very high15 Ų1540.8 Ų40.816%0.15522%0.216CC..Hα-helixtrans-62.8-33.518000000113.3S147 S153S147-G149 PolarHBondContact O-N 3.38Å; G149-S153 WeakPolarHBondContact O-CB 3.49Å; G149-S153 PolarHBondContact O-N 3.14Å; G149-S153 PolarHBondContact O-OG 3Å
150Y98.2Very high97Very high54 Ų5443.1 Ų43.121%0.21223%0.228CC..Hα-helixtrans-64.9-52.8177.2172.8-97.5000111.5S147 A148 D154 R157 Q168 D169 R172S147-Y150 WeakPolarHBondContact O-CB 3.48Å; S147-Y150 PolarHBondContact O-N 3.24Å; S147-Y150 VanDerWaalsContact O-N 3.13Å; A148-Y150 VanDerWaalsContact C-N 3.28Å; A148-Y150 PolarHBondContact O-N 3.08Å; Y150-D154 WeakPolarHBondContact O-CB 3.44Å; Y150-D154 PolarHBondContact O-N 3.11Å; Y150-R157 PolarHBondContact OH-NH2 3.41Å; Y150-Q168 HydrophobicContact CE2-CG 3.96Å; Y150-Q168 WeakPolarHBondContact OH-CG 3.48Å; Y150-D169 WeakPolarHBondContact CE1-OD1 3.37Å; Y150-D169 PolarHBondContact OH-OD1 2.82Å; Y150-R172 HydrophobicContact CD1-CB 4.25Å; Y150-R172 HydrophobicContact CD1-CG 4.38Å; Y150-R172 HydrophobicContact CE1-CB 4.42Å
151Y98.5Very high97Very high1 Ų147.4 Ų47.40%0.00426%0.255CS..Hα-helixtrans-72.9-40.4-176.9-66.1-56.2000112.9I69 N72 T73 S147 A148 S153 D154 L155 L158 D169 R172 S173I69-Y151 HydrophobicContact CB-CE1 4.48Å; I69-Y151 HydrophobicContact CG1-CE1 4.19Å; I69-Y151 HydrophobicContact CG2-CD1 3.85Å; I69-Y151 HydrophobicContact CG2-CE1 3.66Å; N72-Y151 HydrophobicContact CB-CE2 4.32Å; T73-Y151 WeakPolarHBondContact OG1-CB 3.44Å; S147-Y151 WeakPolarHBondContact O-CD2 3.36Å; S147-Y151 PolarHBondContact O-N 3.26Å; S147-Y151 VanDerWaalsContact O-N 3.11Å; A148-Y151 PolarHBondContact O-N 2.89Å; Y151-S153 VanDerWaalsContact C-N 3.32Å; Y151-S153 PolarHBondContact O-N 3.3Å; Y151-D154 CarbonylContact O-C 3.57Å; Y151-D154 PolarHBondContact O-N 3.03Å; Y151-L155 PolarHBondContact O-N 3.28Å; Y151-L155 VanDerWaalsContact O-N 3.1Å; Y151-L158 HydrophobicContact CD1-CD1 3.77Å; Y151-L158 HydrophobicContact CG-CD1 4.33Å; Y151-D169 HydrophobicContact CE1-CB 4.46Å; Y151-D169 PolarHBondContact OH-O 3.14Å; Y151-R172 HydrophobicContact CE2-CB 4.36Å; Y151-R172 PolarHBondContact OH-O 3.21Å; Y151-S173 WeakPolarHBondContact OH-CA 3.42Å; Y151-S173 PolarHBondContact OH-N 2.83Å
152L98.7Very high97Very high3 Ų346.2 Ų46.22%0.01627%0.27CS..Hα-helixtrans-66.9-35.3-178.3-66.4170.1000112T73 I77 I80 I123 W127 A148 D154T73-L152 HydrophobicContact CG2-CD2 3.79Å; I77-L152 HydrophobicContact CB-CD2 3.84Å; I77-L152 HydrophobicContact CG2-CD2 4.5Å; I80-L152 HydrophobicContact CD1-CD1 3.8Å; I123-L152 HydrophobicContact CG2-CD2 3.68Å; W127-L152 HydrophobicContact CD2-CB 3.55Å; W127-L152 HydrophobicContact CD2-CD1 4.18Å; W127-L152 HydrophobicContact CD2-CG 4.44Å; W127-L152 HydrophobicContact CE3-CB 3.94Å; W127-L152 HydrophobicContact CE3-CD1 3.64Å; W127-L152 HydrophobicContact CE3-CG 4.37Å; W127-L152 HydrophobicContact CG-CB 3.85Å; W127-L152 HydrophobicContact CH2-CB 4.45Å; W127-L152 HydrophobicContact CH2-CD1 4.24Å; W127-L152 HydrophobicContact CZ2-CB 4.12Å; W127-L152 HydrophobicContact CZ3-CB 4.37Å; W127-L152 HydrophobicContact CZ3-CD1 3.69Å; A148-L152 HydrophobicContact CB-CD1 4.35Å; A148-L152 VanDerWaalsContact O-CB 3.29Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 WeakPolarHBondContact O-CD1 3.4Å; A148-L152 WeakPolarHBondContact O-CG 3.39Å; A148-L152 PolarHBondContact O-N 3.36Å; L152-D154 VanDerWaalsContact C-N 3.31Å; L152-D154 PolarHBondContact O-N 3.24Å
153S98.2Very high97Very high83 Ų8345.8 Ų45.858%0.5827%0.268SS*.Hα-helixtrans-74-23178.3-560000113.4W127 G149 Y151W127-S153 PolarHBondContact NE1-OG 3Å; W127-S153 VanDerWaalsContact NE1-OG 3.13Å; G149-S153 WeakPolarHBondContact O-CB 3.49Å; G149-S153 PolarHBondContact O-N 3.14Å; G149-S153 PolarHBondContact O-OG 3Å; Y151-S153 VanDerWaalsContact C-N 3.32Å; Y151-S153 PolarHBondContact O-N 3.3Å
154D97.6Very high97.1Very high55 Ų5545.6 Ų45.629%0.29427%0.272SS..THydrogen-bonded Turntrans-114.517.4-174.2-154.27.2000112.4Y150 Y151 L152 E156 R157 L158Y150-D154 WeakPolarHBondContact O-CB 3.44Å; Y150-D154 PolarHBondContact O-N 3.11Å; Y151-D154 CarbonylContact O-C 3.57Å; Y151-D154 PolarHBondContact O-N 3.03Å; L152-D154 VanDerWaalsContact C-N 3.31Å; L152-D154 PolarHBondContact O-N 3.24Å; D154-E156 PolarHBondContact O-N 3.12Å; D154-E156 VanDerWaalsContact O-N 3.11Å; D154-R157 VanDerWaalsContact CG-NE 3.32Å; D154-R157 WeakPolarHBondContact O-CB 3.26Å; D154-R157 PolarHBondContact O-N 3.49Å; D154-R157 WeakPolarHBondContact OD1-CB 3.41Å; D154-R157 IonicContact OD1-NE 3.24Å; D154-R157 IonicContact OD2-CZ 2.89Å; D154-R157 IonicContact OD2-NE 3.38Å; D154-R157 PolarHBondContact OD2-NE 3.35Å; D154-R157 IonicContact OD2-NH2 3.77Å; D154-R157 PolarHBondContact OD2-NH2 3.09Å; D154-L158 WeakPolarHBondContact O-CG 3.26Å; D154-L158 PolarHBondContact O-N 3.01Å
155L98.2Very high97.1Very high2 Ų245.1 Ų45.11%0.0127%0.27CS..Hα-helixtrans-57-32.1-173.6-179.755.9000113T73 I123 Q124 Y151 R157 L158 V159T73-L155 HydrophobicContact CG2-CD1 4.15Å; I123-L155 HydrophobicContact CB-CD2 3.64Å; I123-L155 HydrophobicContact CG2-CD2 3.43Å; I123-L155 VanDerWaalsContact CG2-CD2 3.43Å; Q124-L155 HydrophobicContact CG-CB 4.36Å; Q124-L155 HydrophobicContact CG-CD2 3.85Å; Q124-L155 HydrophobicContact CG-CG 4.23Å; Y151-L155 PolarHBondContact O-N 3.28Å; Y151-L155 VanDerWaalsContact O-N 3.1Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.21Å; L155-L158 HydrophobicContact CD1-CB 4.43Å; L155-L158 PolarHBondContact O-N 3.1Å; L155-V159 HydrophobicContact CD1-CG1 3.75Å; L155-V159 HydrophobicContact CG-CG1 4.42Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.28Å; L155-V159 VanDerWaalsContact O-N 3.12Å
156E97.2Very high97.4Very high142 Ų14246.1 Ų46.166%0.66428%0.277SS*.Hα-helixtrans-59.4-42176.2-173.8171.7-169.300112.2D154 T160D154-E156 PolarHBondContact O-N 3.12Å; D154-E156 VanDerWaalsContact O-N 3.11Å; E156-T160 PolarHBondContact O-N 3.4Å; E156-T160 PolarHBondContact O-OG1 2.92Å
157R98Very high97.6Very high68 Ų6847.3 Ų47.326%0.25728%0.281SS..Hα-helixtrans-65.7-43.6174.4-178.9-179.660.382.31.6111.2Y150 D154 L155 V159 T160 D169Y150-R157 PolarHBondContact OH-NH2 3.41Å; D154-R157 VanDerWaalsContact CG-NE 3.32Å; D154-R157 WeakPolarHBondContact O-CB 3.26Å; D154-R157 PolarHBondContact O-N 3.49Å; D154-R157 WeakPolarHBondContact OD1-CB 3.41Å; D154-R157 IonicContact OD1-NE 3.24Å; D154-R157 IonicContact OD2-CZ 2.89Å; D154-R157 IonicContact OD2-NE 3.38Å; D154-R157 PolarHBondContact OD2-NE 3.35Å; D154-R157 IonicContact OD2-NH2 3.77Å; D154-R157 PolarHBondContact OD2-NH2 3.09Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 3.21Å; R157-V159 PolarHBondContact O-N 2.87Å; R157-T160 WeakPolarHBondContact O-CB 3.26Å; R157-T160 PolarHBondContact O-N 3.35Å; R157-D169 IonicContact CZ-OD1 2.79Å; R157-D169 IonicContact CZ-OD2 2.67Å; R157-D169 IonicContact NH1-OD1 3.74Å; R157-D169 PolarHBondContact NH1-OD1 2.97Å; R157-D169 IonicContact NH1-OD2 3.75Å; R157-D169 PolarHBondContact NH1-OD2 2.95Å; R157-D169 IonicContact NH2-OD1 3.67Å; R157-D169 PolarHBondContact NH2-OD1 3.49Å; R157-D169 IonicContact NH2-OD2 3.6Å
158L98Very high97.6Very high0 Ų049 Ų490%029%0.287CS..Hα-helixtrans-64.4-27.3-175.9-55.7178.5000113.1I69 Y70 Y151 D154 L155 Y163I69-L158 HydrophobicContact CG2-CD1 4.13Å; I69-L158 HydrophobicContact CG2-CD2 4.29Å; Y70-L158 HydrophobicContact CE1-CB 4.26Å; Y70-L158 VanDerWaalsContact CE1-O 3.28Å; Y70-L158 WeakPolarHBondContact CE1-O 3.26Å; Y70-L158 PolarHBondContact OH-O 3.03Å; Y151-L158 HydrophobicContact CD1-CD1 3.77Å; Y151-L158 HydrophobicContact CG-CD1 4.33Å; D154-L158 WeakPolarHBondContact O-CG 3.26Å; D154-L158 PolarHBondContact O-N 3.01Å; L155-L158 HydrophobicContact CD1-CB 4.43Å; L155-L158 PolarHBondContact O-N 3.1Å; L158-Y163 HydrophobicContact CB-CE1 4.46Å; L158-Y163 HydrophobicContact CD2-CE1 4.06Å; L158-Y163 HydrophobicContact CD2-CE2 4.08Å; L158-Y163 VanDerWaalsContact CD2-OH 3.31Å; L158-Y163 WeakPolarHBondContact CD2-OH 3.42Å; L158-Y163 WeakPolarHBondContact O-CD1 3.45Å
159V97.2Very high97.6Very high31 Ų3149 Ų4919%0.18829%0.287CS..THydrogen-bonded Turntrans-103.86.1-179.5-54.60000113.7M115 L155 R157M115-V159 HydrophobicContact CB-CG1 4.35Å; M115-V159 HydrophobicContact CG-CG1 3.5Å; L155-V159 HydrophobicContact CD1-CG1 3.75Å; L155-V159 HydrophobicContact CG-CG1 4.42Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 3.28Å; L155-V159 VanDerWaalsContact O-N 3.12Å; R157-V159 PolarHBondContact O-N 2.87Å
160T96.8Very high97.7Very high73 Ų7348.3 Ų48.345%0.44828%0.28SS..SBendtrans-64.7132.4174.7-66.70000109.6E156 R157 G162 Y163E156-T160 PolarHBondContact O-N 3.4Å; E156-T160 PolarHBondContact O-OG1 2.92Å; R157-T160 WeakPolarHBondContact O-CB 3.26Å; R157-T160 PolarHBondContact O-N 3.35Å; T160-G162 PolarHBondContact O-N 3.2Å; T160-Y163 VanDerWaalsContact O-CB 3.24Å; T160-Y163 WeakPolarHBondContact O-CB 3.39Å; T160-Y163 PolarHBondContact O-N 3.4Å
161P95.7Very high97.7Very high129 Ų12945.9 Ų45.984%0.83827%0.27SS*.THydrogen-bonded Turntrans-54.5129.8177.2-27.135.3000112
162G95.3Very high97.6Very high78 Ų7848.6 Ų48.680%0.80428%0.28SS*.THydrogen-bonded Turntrans79.715.9-175.600000114.6T160 V164T160-G162 PolarHBondContact O-N 3.2Å; G162-V164 PolarHBondContact O-N 3.35Å
163Y97.5Very high97.6Very high21 Ų2148.8 Ų48.88%0.08228%0.282CS..  trans-52.9128.9171.1168.6-121.5000111.6I66 L158 T160 P165 D169I66-Y163 HydrophobicContact CG1-CD1 4.42Å; I66-Y163 HydrophobicContact CG1-CE1 4.45Å; L158-Y163 HydrophobicContact CB-CE1 4.46Å; L158-Y163 HydrophobicContact CD2-CE1 4.06Å; L158-Y163 HydrophobicContact CD2-CE2 4.08Å; L158-Y163 VanDerWaalsContact CD2-OH 3.31Å; L158-Y163 WeakPolarHBondContact CD2-OH 3.42Å; L158-Y163 WeakPolarHBondContact O-CD1 3.45Å; T160-Y163 VanDerWaalsContact O-CB 3.24Å; T160-Y163 WeakPolarHBondContact O-CB 3.39Å; T160-Y163 PolarHBondContact O-N 3.4Å; Y163-P165 HydrophobicContact CE1-CG 3.85Å; Y163-P165 WeakPolarHBondContact OH-CA 3.35Å; Y163-D169 WeakPolarHBondContact OH-CB 3.06Å; Y163-D169 PolarHBondContact OH-OD2 3.29Å
164V97.9Very high97.5Very high65 Ų6547.7 Ų47.739%0.39427%0.265SS..  trans-118.5125.2169.8179.10000107.6L59 C62 L63 G162 T166L59-V164 HydrophobicContact CD1-CG1 3.7Å; L59-V164 HydrophobicContact CD1-CG2 3.91Å; C62-V164 HydrophobicContact CB-CG1 4.01Å; L63-V164 HydrophobicContact CD2-CG2 4.37Å; G162-V164 PolarHBondContact O-N 3.35Å; V164-T166 PolarHBondContact O-N 2.87Å
165P98.4Very high97.4Very high5 Ų548.7 Ų48.73%0.03227%0.273CS..  trans-55.5133.2176.9-32.240.8000113.3C62 F65 I66 I69 Y163 D169 V170C62-P165 WeakPolarHBondContact O-CD 3.46Å; C62-P165 WeakPolarHBondContact O-CG 3.26Å; F65-P165 HydrophobicContact CB-CB 4.43Å; F65-P165 HydrophobicContact CB-CG 4.32Å; I66-P165 HydrophobicContact CG1-CG 3.66Å; I69-P165 HydrophobicContact CD1-CB 3.77Å; I69-P165 HydrophobicContact CD1-CG 3.71Å; Y163-P165 HydrophobicContact CE1-CG 3.85Å; Y163-P165 WeakPolarHBondContact OH-CA 3.35Å; P165-D169 HydrophobicContact CB-CB 4.09Å; P165-V170 HydrophobicContact CB-CG2 4.22Å
166T98Very high97.2Very high61 Ų6153.7 Ų53.737%0.37429%0.294SS..  trans-77.7163170.364.70000110V164 Q168 D169 V170V164-T166 PolarHBondContact O-N 2.87Å; T166-Q168 PolarHBondContact O-N 2.82Å; T166-Q168 VanDerWaalsContact O-N 3.14Å; T166-Q168 PolarHBondContact OG1-N 3.3Å; T166-D169 PolarHBondContact N-OD2 3.19Å; T166-D169 WeakPolarHBondContact O-CB 3.22Å; T166-D169 PolarHBondContact O-N 3.5Å; T166-D169 PolarHBondContact OG1-N 3.01Å; T166-D169 VanDerWaalsContact OG1-N 3.16Å; T166-D169 PolarHBondContact OG1-OD2 3.23Å; T166-V170 WeakPolarHBondContact O-CG2 3.43Å; T166-V170 PolarHBondContact O-N 2.98Å
167E97.5Very high97.1Very high88 Ų8847.7 Ų47.741%0.41127%0.267SS..Hα-helixtrans-54.3-34.2170.8-67.1-175.2158.400112I51 V170 L171I51-E167 HydrophobicContact CD1-CB 4.02Å; I51-E167 HydrophobicContact CD1-CG 4.23Å; I51-E167 HydrophobicContact CG1-CG 4.37Å; E167-V170 PolarHBondContact O-N 3.03Å; E167-L171 WeakPolarHBondContact O-CB 3.36Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 3.46Å
168Q97.9Very high96.9Very high56 Ų5648.9 Ų48.926%0.26228%0.283SS..Hα-helixtrans-67.4-39.4177.2-16860.937.500112.4Y150 T166 V170 L171 R172 T323Y150-Q168 HydrophobicContact CE2-CG 3.96Å; Y150-Q168 WeakPolarHBondContact OH-CG 3.48Å; T166-Q168 PolarHBondContact O-N 2.82Å; T166-Q168 VanDerWaalsContact O-N 3.14Å; T166-Q168 PolarHBondContact OG1-N 3.3Å; Q168-V170 VanDerWaalsContact C-N 3.33Å; Q168-L171 PolarHBondContact O-N 3.43Å; Q168-R172 WeakPolarHBondContact O-CB 3.41Å; Q168-R172 WeakPolarHBondContact O-CG 3.44Å; Q168-R172 PolarHBondContact O-N 2.97Å; Q168-T323 PolarHBondContact OE1-O 3.24Å
169D98.4Very high96.7Very high0 Ų049.8 Ų49.80%029%0.292CS..Hα-helixtrans-63.6-42.5173.5-60.7-51.1000110.4I69 Y150 Y151 R157 Y163 P165 T166 R172 S173I69-D169 HydrophobicContact CD1-CB 3.75Å; Y150-D169 WeakPolarHBondContact CE1-OD1 3.37Å; Y150-D169 PolarHBondContact OH-OD1 2.82Å; Y151-D169 HydrophobicContact CE1-CB 4.46Å; Y151-D169 PolarHBondContact OH-O 3.14Å; R157-D169 IonicContact CZ-OD1 2.79Å; R157-D169 IonicContact CZ-OD2 2.67Å; R157-D169 IonicContact NH1-OD1 3.74Å; R157-D169 PolarHBondContact NH1-OD1 2.97Å; R157-D169 IonicContact NH1-OD2 3.75Å; R157-D169 PolarHBondContact NH1-OD2 2.95Å; R157-D169 IonicContact NH2-OD1 3.67Å; R157-D169 PolarHBondContact NH2-OD1 3.49Å; R157-D169 IonicContact NH2-OD2 3.6Å; Y163-D169 WeakPolarHBondContact OH-CB 3.06Å; Y163-D169 PolarHBondContact OH-OD2 3.29Å; P165-D169 HydrophobicContact CB-CB 4.09Å; T166-D169 PolarHBondContact N-OD2 3.19Å; T166-D169 WeakPolarHBondContact O-CB 3.22Å; T166-D169 PolarHBondContact O-N 3.5Å; T166-D169 PolarHBondContact OG1-N 3.01Å; T166-D169 VanDerWaalsContact OG1-N 3.16Å; T166-D169 PolarHBondContact OG1-OD2 3.23Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-S173 PolarHBondContact O-N 3.35Å; D169-S173 VanDerWaalsContact O-N 3.09Å
170V98.2Very high96.6Very high0 Ų051.4 Ų51.40%030%0.299CS..Hα-helixtrans-64.2-46.2177.8174.40000111.2K47 Y57 F65 P165 T166 E167 Q168 R172 S173K47-V170 HydrophobicContact CD-CG1 4.37Å; K47-V170 PolarHBondContact NZ-O 3.29Å; Y57-V170 HydrophobicContact CD1-CG1 4.41Å; Y57-V170 HydrophobicContact CD2-CG1 4.09Å; Y57-V170 HydrophobicContact CE1-CG1 4.01Å; Y57-V170 HydrophobicContact CE2-CG1 3.67Å; Y57-V170 HydrophobicContact CG-CG1 4.46Å; F65-V170 HydrophobicContact CB-CG2 4.33Å; F65-V170 HydrophobicContact CD1-CG1 4.32Å; F65-V170 HydrophobicContact CD2-CB 4.41Å; F65-V170 HydrophobicContact CD2-CG1 3.99Å; F65-V170 HydrophobicContact CD2-CG2 3.66Å; F65-V170 HydrophobicContact CE1-CG1 3.97Å; F65-V170 HydrophobicContact CE2-CB 4.49Å; F65-V170 HydrophobicContact CE2-CG1 3.61Å; F65-V170 HydrophobicContact CE2-CG2 4.11Å; F65-V170 HydrophobicContact CG-CG1 4.35Å; F65-V170 HydrophobicContact CG-CG2 3.94Å; F65-V170 HydrophobicContact CZ-CG1 3.6Å; P165-V170 HydrophobicContact CB-CG2 4.22Å; T166-V170 WeakPolarHBondContact O-CG2 3.43Å; T166-V170 PolarHBondContact O-N 2.98Å; E167-V170 PolarHBondContact O-N 3.03Å; Q168-V170 VanDerWaalsContact C-N 3.33Å; V170-R172 VanDerWaalsContact C-N 3.33Å; V170-R172 PolarHBondContact O-N 2.75Å; V170-S173 PolarHBondContact O-N 3.37Å; V170-S173 PolarHBondContact O-OG 2.9Å
171L98.1Very high96.6Very high2 Ų251.8 Ų51.81%0.0130%0.297CS..Hα-helixtrans-63.8-36.4179.7-75.7170000112.8T44 K47 Q48 I51 E167 Q168 S173 T323T44-L171 HydrophobicContact CG2-CB 4.43Å; T44-L171 HydrophobicContact CG2-CD2 3.9Å; K47-L171 HydrophobicContact CB-CD2 3.88Å; Q48-L171 HydrophobicContact CG-CD2 3.65Å; I51-L171 HydrophobicContact CD1-CD1 3.87Å; I51-L171 HydrophobicContact CD1-CD2 3.9Å; I51-L171 HydrophobicContact CD1-CG 3.82Å; E167-L171 WeakPolarHBondContact O-CB 3.36Å; E167-L171 WeakPolarHBondContact O-CG 3.4Å; E167-L171 PolarHBondContact O-N 3.46Å; Q168-L171 PolarHBondContact O-N 3.43Å; L171-S173 VanDerWaalsContact C-N 3.34Å; L171-T323 HydrophobicContact CB-CG2 4.35Å
172R97.9Very high96.7Very high59 Ų5949.1 Ų49.122%0.22327%0.273CS..Hα-helixtrans-82-11.7178.9-73.6-177.4178.2-79.4-4.9113.6S147 Y150 Y151 Q168 D169 V170 T323S147-R172 WeakPolarHBondContact CB-O 3.38Å; S147-R172 WeakPolarHBondContact OG-CB 3.17Å; S147-R172 PolarHBondContact OG-O 3.22Å; Y150-R172 HydrophobicContact CD1-CB 4.25Å; Y150-R172 HydrophobicContact CD1-CG 4.38Å; Y150-R172 HydrophobicContact CE1-CB 4.42Å; Y151-R172 HydrophobicContact CE2-CB 4.36Å; Y151-R172 PolarHBondContact OH-O 3.21Å; Q168-R172 WeakPolarHBondContact O-CB 3.41Å; Q168-R172 WeakPolarHBondContact O-CG 3.44Å; Q168-R172 PolarHBondContact O-N 2.97Å; D169-R172 PolarHBondContact O-N 3.27Å; V170-R172 VanDerWaalsContact C-N 3.33Å; V170-R172 PolarHBondContact O-N 2.75Å; R172-T323 HydrophobicContact CG-CG2 4.06Å
173S97.6Very high96.7Very high6 Ų646.6 Ų46.64%0.04224%0.243CC..  trans-72.8142.8-179.970.10000111K47 F65 Y151 D169 V170 L171K47-S173 PolarHBondContact NZ-O 2.91Å; K47-S173 PolarHBondContact NZ-OG 2.75Å; F65-S173 WeakPolarHBondContact CD1-OG 3.42Å; Y151-S173 WeakPolarHBondContact OH-CA 3.42Å; Y151-S173 PolarHBondContact OH-N 2.83Å; D169-S173 PolarHBondContact O-N 3.35Å; D169-S173 VanDerWaalsContact O-N 3.09Å; V170-S173 PolarHBondContact O-N 3.37Å; V170-S173 PolarHBondContact O-OG 2.9Å; L171-S173 VanDerWaalsContact C-N 3.34Å
174R95.6Very high96.7Very high60 Ų6051.2 Ų51.223%0.22627%0.265CS..  trans-118.4115.9-172.8179.471.6-177.291.314.6109.6E39 N72 K176E39-R174 IonicContact OE1-CZ 3.61Å; E39-R174 IonicContact OE1-NE 2.8Å; E39-R174 PolarHBondContact OE1-NE 2.69Å; E39-R174 IonicContact OE1-NH2 3.29Å; E39-R174 PolarHBondContact OE1-NH2 3.09Å; N72-R174 PolarHBondContact ND2-O 3.26Å; N72-R174 PolarHBondContact OD1-N 3.37Å; N72-R174 PolarHBondContact OD1-O 2.81Å; R174-K176 VanDerWaalsContact NH1-CA 3.33Å
175V95.4Very high96.6Very high77 Ų7748.7 Ų48.747%0.46725%0.248SC..  trans-124.6128.7166.9-1780000108.2I68 T177I68-V175 HydrophobicContact CD1-CG2 3.78Å; I68-V175 HydrophobicContact CG1-CG2 4.17Å; I68-V175 HydrophobicContact CG2-CG2 3.63Å; V175-T177 PolarHBondContact O-N 3.47Å
176K94.7Very high96.4Very high106 Ų10652 Ų5246%0.46127%0.272SS..  trans-62.6110.4174.5-177.9177.4176.4-179.70109.6R174 T178R174-K176 VanDerWaalsContact NH1-CA 3.33Å; K176-T178 PolarHBondContact O-N 3.42Å
177T95.1Very high96.2Very high16 Ų1651.2 Ų51.210%0.09826%0.264CS..  trans-63.4123173.3-43.80000109.7S43 V175 I181 G198S43-T177 PolarHBondContact OG-OG1 2.89Å; V175-T177 PolarHBondContact O-N 3.47Å; T177-I181 HydrophobicContact CG2-CD1 3.88Å; T177-I181 HydrophobicContact CG2-CG1 4.38Å; T177-G198 WeakPolarHBondContact O-CA 3.38Å
178T94.1Very high95.9Very high94 Ų9450.8 Ų50.858%0.57726%0.26SS*.  trans-115.6139.4172.662.20000108.8K176 E203K176-T178 PolarHBondContact O-N 3.42Å; T178-E203 WeakPolarHBondContact CA-OE2 3.48Å
179G93.7Very high95.5Very high18 Ų1854.8 Ų54.819%0.18628%0.283CS..SBendtrans70.9-144.1-177.600000113.7G198 E203G179-G198 PolarHBondContact O-N 2.69Å; G179-E203 PolarHBondContact N-OE2 3.24Å
180I95.7Very high95.2Very high66 Ų6655.7 Ų55.734%0.33829%0.288SS..EExtended strand (participates in β ladder)trans-127.2125.7-173.8-61.5155.7000107.1F195 D196 V197 H209 C210I180-F195 HydrophobicContact CG2-CD1 3.86Å; I180-D196 WeakPolarHBondContact CA-O 3.33Å; I180-V197 HydrophobicContact CB-CG1 4.4Å; I180-V197 HydrophobicContact CG1-CG1 3.89Å; I180-V197 HydrophobicContact CG2-CG1 4.28Å; I180-H209 HydrophobicContact CD1-CB 3.89Å; I180-C210 VanDerWaalsContact CD1-SG 3.54Å; I180-C210 WeakPolarHBondContact CG2-SG 3.43Å
181I96.1Very high95.1Very high81 Ų8158.4 Ų58.442%0.41530%0.303SS..EExtended strand (participates in β ladder)trans-115.1124.5177.5-57.9178.4000107.7T177 F195 D196T177-I181 HydrophobicContact CG2-CD1 3.88Å; T177-I181 HydrophobicContact CG2-CG1 4.38Å; I181-F195 WeakPolarHBondContact O-CA 3.27Å; I181-D196 PolarHBondContact N-O 3.42Å; I181-D196 PolarHBondContact O-N 3.09Å
182E97Very high95Very high72 Ų7258.4 Ų58.434%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-98.9132174-173.9178.4159.500109.6Q184 R193 M194 F195E182-Q184 HydrophobicContact CG-CG 4.37Å; E182-Q184 PolarHBondContact OE1-NE2 2.85Å; E182-R193 IonicContact OE1-CZ 3.84Å; E182-R193 IonicContact OE1-NE 3.93Å; E182-R193 PolarHBondContact OE1-NE 3.29Å; E182-R193 IonicContact OE1-NH2 2.78Å; E182-R193 PolarHBondContact OE1-NH2 2.87Å; E182-R193 VanDerWaalsContact OE1-NH2 3.07Å; E182-R193 IonicContact OE2-CZ 3.34Å; E182-R193 IonicContact OE2-NH2 2.73Å; E182-R193 PolarHBondContact OE2-NH2 3.1Å; E182-M194 CarbonylContact C-O 3.56Å; E182-M194 WeakPolarHBondContact CA-O 3.48Å; E182-F195 HydrophobicContact CB-CD1 4.27Å; E182-F195 HydrophobicContact CB-CE1 4.02Å; E182-F195 HydrophobicContact CB-CZ 4.45Å; E182-F195 HydrophobicContact CG-CD1 4.41Å; E182-F195 HydrophobicContact CG-CE1 3.94Å; E182-F195 HydrophobicContact CG-CE2 4.26Å; E182-F195 HydrophobicContact CG-CZ 3.86Å; E182-F195 WeakPolarHBondContact OE2-CE1 3.31Å; E182-F195 VanDerWaalsContact OE2-CZ 3.3Å; E182-F195 WeakPolarHBondContact OE2-CZ 3.22Å
183T96.4Very high95Very high26 Ų2660 Ų6016%0.1631%0.309CS..EExtended strand (participates in β ladder)trans-125.7131.8172.7-59.80000108.9V46 M194V46-T183 HydrophobicContact CG1-CG2 4.14Å; V46-T183 VanDerWaalsContact CG1-OG1 3.28Å; V46-T183 WeakPolarHBondContact CG1-OG1 3.45Å; T183-M194 PolarHBondContact N-O 2.9Å; T183-M194 PolarHBondContact O-N 2.82Å
184Q96.8Very high95Very high118 Ų11859.8 Ų59.855%0.55131%0.307SS*.EExtended strand (participates in β ladder)trans-115.7133.9-177.2-60.5-177.36.800110.7Q54 E182 F192 R193Q54-Q184 PolarHBondContact NE2-O 2.92Å; E182-Q184 HydrophobicContact CG-CG 4.37Å; E182-Q184 PolarHBondContact OE1-NE2 2.85Å; Q184-F192 VanDerWaalsContact CA-O 3.25Å; Q184-F192 WeakPolarHBondContact CA-O 3.3Å; Q184-R193 HydrophobicContact CG-CG 4.26Å
185F96.5Very high95.1Very high11 Ų1157.6 Ų57.65%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-153.8162.4176.559.5-85.4000110.2M49 H53 Q54 F192 M194 F332M49-F185 HydrophobicContact CB-CD1 3.91Å; M49-F185 HydrophobicContact CB-CE1 3.7Å; M49-F185 HydrophobicContact CB-CG 4.42Å; M49-F185 HydrophobicContact CB-CZ 4.05Å; M49-F185 HydrophobicContact CG-CD1 4.31Å; M49-F185 HydrophobicContact CG-CE1 3.59Å; M49-F185 HydrophobicContact CG-CE2 4.37Å; M49-F185 HydrophobicContact CG-CZ 3.63Å; M49-F185 HydrophobicContact SD-CE1 4.07Å; M49-F185 HydrophobicContact SD-CE2 3.82Å; M49-F185 HydrophobicContact SD-CZ 3.44Å; M49-F185 WeakPolarHBondContact SD-CZ 3.42Å; H53-F185 HydrophobicContact CB-CB 4.18Å; H53-F185 HydrophobicContact CB-CD2 3.98Å; H53-F185 HydrophobicContact CB-CG 4.37Å; H53-F185 AromaticContact CD2-CD2 3.68Å; H53-F185 AromaticContact CD2-CE2 3.74Å; H53-F185 AromaticContact CG-CD2 3.95Å; Q54-F185 HydrophobicContact CG-CB 4.1Å; F185-F192 HydrophobicContact CD1-CB 4.17Å; F185-F192 HydrophobicContact CD2-CB 4.02Å; F185-F192 HydrophobicContact CD2-CD2 4.25Å; F185-F192 HydrophobicContact CD2-CG 4.38Å; F185-F192 HydrophobicContact CE1-CB 3.81Å; F185-F192 HydrophobicContact CE2-CB 3.66Å; F185-F192 AromaticContact CE2-CD2 3.83Å; F185-F192 HydrophobicContact CE2-CD2 3.83Å; F185-F192 AromaticContact CE2-CG 3.74Å; F185-F192 HydrophobicContact CE2-CG 3.74Å; F185-F192 HydrophobicContact CG-CB 4.26Å; F185-F192 HydrophobicContact CZ-CB 3.54Å; F185-F192 HydrophobicContact CZ-CD1 4.39Å; F185-F192 HydrophobicContact CZ-CD2 4.43Å; F185-F192 AromaticContact CZ-CG 3.88Å; F185-F192 HydrophobicContact CZ-CG 3.88Å; F185-F192 PolarHBondContact N-O 3.28Å; F185-F192 VanDerWaalsContact N-O 3.14Å; F185-F192 WeakPolarHBondContact O-CB 3.26Å; F185-F192 PolarHBondContact O-N 3.32Å; F185-M194 HydrophobicContact CE1-CB 4Å; F185-M194 HydrophobicContact CE1-CE 3.93Å; F185-M194 HydrophobicContact CE1-SD 4.39Å; F185-M194 HydrophobicContact CZ-CE 3.86Å; F185-F332 AromaticContact CE2-CE1 3.77Å; F185-F332 HydrophobicContact CE2-CE1 3.77Å; F185-F332 AromaticContact CE2-CZ 3.77Å; F185-F332 HydrophobicContact CE2-CZ 3.77Å; F185-F332 HydrophobicContact CZ-CE1 4.07Å; F185-F332 HydrophobicContact CZ-CE2 4.35Å; F185-F332 AromaticContact CZ-CZ 3.59Å; F185-F332 HydrophobicContact CZ-CZ 3.59Å
186S94.2Very high95.2Very high75 Ų7554 Ų5452%0.52428%0.277SS..EExtended strand (participates in β ladder)trans-112.2138.5179.1-58.90000110.9L190 N191S186-L190 VanDerWaalsContact CA-O 3.27Å; S186-L190 WeakPolarHBondContact CA-O 3.43Å; S186-N191 PolarHBondContact OG-OD1 3.44Å
187F94.2Very high95.4Very high45 Ų4549 Ų4920%0.19726%0.255CS..EExtended strand (participates in β ladder)trans-154.8135.3177.6178-124.4000110.3H53 D189 L190 F192 F332 D333 T336H53-F187 AromaticContact CE1-CD2 3.27Å; H53-F187 WeakPolarHBondContact CE1-CD2 3.16Å; H53-F187 AromaticContact CE1-CE2 3.72Å; H53-F187 AromaticContact CE1-CG 3.49Å; H53-F187 VanDerWaalsContact CE1-CG 3.49Å; H53-F187 WeakPolarHBondContact CE1-CG 3.35Å; H53-F187 AromaticContact ND1-CD2 3.72Å; F187-D189 VanDerWaalsContact C-N 3.3Å; F187-D189 PolarHBondContact O-N 3.4Å; F187-L190 PolarHBondContact N-O 3.31Å; F187-L190 WeakPolarHBondContact O-CB 3.48Å; F187-L190 PolarHBondContact O-N 3.46Å; F187-F192 HydrophobicContact CB-CD2 4.1Å; F187-F192 HydrophobicContact CB-CE2 3.82Å; F187-F192 HydrophobicContact CD1-CE2 4.24Å; F187-F332 HydrophobicContact CD1-CD1 4.17Å; F187-F332 AromaticContact CD1-CE1 3.97Å; F187-F332 HydrophobicContact CD1-CE1 3.97Å; F187-F332 HydrophobicContact CE1-CD1 4.27Å; F187-F332 HydrophobicContact CE1-CE1 4.49Å; F187-D333 HydrophobicContact CZ-CB 4.47Å; F187-D333 VanDerWaalsContact CZ-OD1 3.29Å; F187-D333 WeakPolarHBondContact CZ-OD1 3.37Å; F187-T336 HydrophobicContact CD1-CG2 3.88Å; F187-T336 HydrophobicContact CE1-CG2 3.9Å; F187-T336 WeakPolarHBondContact CE1-OG1 3.32Å
188K91.1Very high95.4Very high79 Ų7948.2 Ų48.234%0.34325%0.251SS..THydrogen-bonded Turntrans47.747.7-177.8-71.2179.5160.7174.20113.4L190 D333 T336 D337 I340K188-L190 PolarHBondContact O-N 2.93Å; K188-D333 WeakPolarHBondContact CE-OD1 3.49Å; K188-D333 IonicContact NZ-OD1 2.74Å; K188-D333 PolarHBondContact NZ-OD1 3.18Å; K188-D333 IonicContact NZ-OD2 3.03Å; K188-T336 HydrophobicContact CB-CG2 4.38Å; K188-T336 HydrophobicContact CD-CG2 3.85Å; K188-D337 IonicContact NZ-OD1 2.57Å; K188-D337 PolarHBondContact NZ-OD1 3.47Å; K188-D337 IonicContact NZ-OD2 2.92Å; K188-D337 PolarHBondContact NZ-OD2 2.91Å; K188-I340 HydrophobicContact CB-CD1 4.43Å; K188-I340 HydrophobicContact CD-CD1 4.31Å
189D88.3Confident95.5Very high139 Ų13943.9 Ų43.974%0.74322%0.224SC*.THydrogen-bonded Turntrans60.99.9-177.7-57.8-44.9000116.2F187F187-D189 VanDerWaalsContact C-N 3.3Å; F187-D189 PolarHBondContact O-N 3.4Å
190L93.6Very high95.5Very high20 Ų2043.8 Ų43.811%0.10522%0.219CC..EExtended strand (participates in β ladder)trans-101.1147.9173.7-60.5172.3000110.8R28 V30 S186 F187 K188 F192 T336 I340R28-L190 HydrophobicContact CB-CD2 4.48Å; R28-L190 WeakPolarHBondContact O-CA 3.38Å; V30-L190 HydrophobicContact CG2-CB 4.34Å; V30-L190 HydrophobicContact CG2-CD1 4.02Å; V30-L190 HydrophobicContact CG2-CD2 4.36Å; V30-L190 HydrophobicContact CG2-CG 4.49Å; S186-L190 VanDerWaalsContact CA-O 3.27Å; S186-L190 WeakPolarHBondContact CA-O 3.43Å; F187-L190 PolarHBondContact N-O 3.31Å; F187-L190 WeakPolarHBondContact O-CB 3.48Å; F187-L190 PolarHBondContact O-N 3.46Å; K188-L190 PolarHBondContact O-N 2.93Å; L190-F192 HydrophobicContact CB-CD2 4.25Å; L190-F192 HydrophobicContact CB-CE2 3.72Å; L190-F192 HydrophobicContact CB-CZ 4.27Å; L190-F192 HydrophobicContact CD1-CE2 4.29Å; L190-F192 HydrophobicContact CD1-CZ 4.09Å; L190-T336 HydrophobicContact CD1-CG2 4.25Å; L190-I340 HydrophobicContact CD1-CD1 4.03Å; L190-I340 HydrophobicContact CD1-CG1 3.68Å
191N94.3Very high95.5Very high57 Ų5745 Ų4531%0.30522%0.22SC..EExtended strand (participates in β ladder)trans-102.2107.1173.8-63.6-48.4000109.1R28 T29 V30 S186R28-N191 PolarHBondContact O-N 2.74Å; T29-N191 CarbonylContact C-O 3.55Å; T29-N191 VanDerWaalsContact CA-O 3.31Å; T29-N191 WeakPolarHBondContact CA-O 3.45Å; V30-N191 PolarHBondContact N-O 3.46Å; S186-N191 PolarHBondContact OG-OD1 3.44Å
192F97.1Very high95.5Very high1 Ų144.8 Ų44.80%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-86.4132.8179.9-72.2-91.3000110.8V30 L32 Q184 F185 F187 L190 F332 T336 I339V30-F192 HydrophobicContact CB-CD1 3.81Å; V30-F192 HydrophobicContact CB-CE1 3.88Å; V30-F192 HydrophobicContact CB-CG 4.45Å; V30-F192 HydrophobicContact CG1-CD1 3.75Å; V30-F192 HydrophobicContact CG1-CE1 3.64Å; V30-F192 HydrophobicContact CG2-CE1 4.35Å; V30-F192 CarbonylContact O-C 3.59Å; V30-F192 WeakPolarHBondContact O-CA 3.4Å; L32-F192 HydrophobicContact CD1-CD1 3.49Å; L32-F192 VanDerWaalsContact CD1-CD1 3.49Å; L32-F192 HydrophobicContact CD1-CE1 3.89Å; L32-F192 HydrophobicContact CG-CD1 3.83Å; L32-F192 HydrophobicContact CG-CE1 4.28Å; Q184-F192 VanDerWaalsContact CA-O 3.25Å; Q184-F192 WeakPolarHBondContact CA-O 3.3Å; F185-F192 HydrophobicContact CD1-CB 4.17Å; F185-F192 HydrophobicContact CD2-CB 4.02Å; F185-F192 HydrophobicContact CD2-CD2 4.25Å; F185-F192 HydrophobicContact CD2-CG 4.38Å; F185-F192 HydrophobicContact CE1-CB 3.81Å; F185-F192 HydrophobicContact CE2-CB 3.66Å; F185-F192 AromaticContact CE2-CD2 3.83Å; F185-F192 HydrophobicContact CE2-CD2 3.83Å; F185-F192 AromaticContact CE2-CG 3.74Å; F185-F192 HydrophobicContact CE2-CG 3.74Å; F185-F192 HydrophobicContact CG-CB 4.26Å; F185-F192 HydrophobicContact CZ-CB 3.54Å; F185-F192 HydrophobicContact CZ-CD1 4.39Å; F185-F192 HydrophobicContact CZ-CD2 4.43Å; F185-F192 AromaticContact CZ-CG 3.88Å; F185-F192 HydrophobicContact CZ-CG 3.88Å; F185-F192 PolarHBondContact N-O 3.28Å; F185-F192 VanDerWaalsContact N-O 3.14Å; F185-F192 WeakPolarHBondContact O-CB 3.26Å; F185-F192 PolarHBondContact O-N 3.32Å; F187-F192 HydrophobicContact CB-CD2 4.1Å; F187-F192 HydrophobicContact CB-CE2 3.82Å; F187-F192 HydrophobicContact CD1-CE2 4.24Å; L190-F192 HydrophobicContact CB-CD2 4.25Å; L190-F192 HydrophobicContact CB-CE2 3.72Å; L190-F192 HydrophobicContact CB-CZ 4.27Å; L190-F192 HydrophobicContact CD1-CE2 4.29Å; L190-F192 HydrophobicContact CD1-CZ 4.09Å; F192-F332 HydrophobicContact CD1-CZ 4.09Å; F192-F332 HydrophobicContact CE1-CE1 4.43Å; F192-F332 AromaticContact CE1-CZ 3.98Å; F192-F332 HydrophobicContact CE1-CZ 3.98Å; F192-F332 HydrophobicContact CZ-CE1 4.35Å; F192-F332 HydrophobicContact CZ-CZ 4.34Å; F192-T336 HydrophobicContact CE2-CG2 4.5Å; F192-T336 HydrophobicContact CZ-CG2 3.9Å; F192-I339 HydrophobicContact CE1-CD1 4.48Å
193R97.3Very high95.4Very high94 Ų9442.2 Ų42.236%0.35521%0.213SC..EExtended strand (participates in β ladder)trans-114.699.4166.3-60.8178.263.6-164.50.3107.7T29 V30 K31 L32 E182 Q184 F195T29-R193 HydrophobicContact CG2-CG 4.04Å; V30-R193 PolarHBondContact O-N 3.36Å; K31-R193 WeakPolarHBondContact CA-O 3.44Å; L32-R193 PolarHBondContact N-O 3.07Å; E182-R193 IonicContact OE1-CZ 3.84Å; E182-R193 IonicContact OE1-NE 3.93Å; E182-R193 PolarHBondContact OE1-NE 3.29Å; E182-R193 IonicContact OE1-NH2 2.78Å; E182-R193 PolarHBondContact OE1-NH2 2.87Å; E182-R193 VanDerWaalsContact OE1-NH2 3.07Å; E182-R193 IonicContact OE2-CZ 3.34Å; E182-R193 IonicContact OE2-NH2 2.73Å; E182-R193 PolarHBondContact OE2-NH2 3.1Å; Q184-R193 HydrophobicContact CG-CG 4.26Å; R193-F195 HydrophobicContact CB-CE2 3.84Å; R193-F195 WeakPolarHBondContact O-CD2 3.32Å
194M97.9Very high95.4Very high0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-95.3124.3-178.1-176.8175.9-73.900110.4L32 L34 V46 M49 E182 T183 F185 F332L32-M194 HydrophobicContact CB-CB 4.42Å; L32-M194 HydrophobicContact CB-CG 4.43Å; L32-M194 HydrophobicContact CD1-CE 3.72Å; L32-M194 CarbonylContact O-C 3.58Å; L32-M194 WeakPolarHBondContact O-CA 3.04Å; L34-M194 HydrophobicContact CD1-CG 4.05Å; L34-M194 HydrophobicContact CD1-SD 3.79Å; L34-M194 HydrophobicContact CD2-CE 4.43Å; L34-M194 HydrophobicContact CD2-CG 4.28Å; L34-M194 HydrophobicContact CD2-SD 4.28Å; L34-M194 HydrophobicContact CG-CG 3.94Å; L34-M194 HydrophobicContact CG-SD 4.19Å; V46-M194 HydrophobicContact CG2-CG 4.43Å; V46-M194 HydrophobicContact CG2-SD 3.92Å; M49-M194 HydrophobicContact CG-CE 3.55Å; M49-M194 HydrophobicContact CG-SD 3.76Å; M49-M194 HydrophobicContact SD-CE 3.93Å; E182-M194 CarbonylContact C-O 3.56Å; E182-M194 WeakPolarHBondContact CA-O 3.48Å; T183-M194 PolarHBondContact N-O 2.9Å; T183-M194 PolarHBondContact O-N 2.82Å; F185-M194 HydrophobicContact CE1-CB 4Å; F185-M194 HydrophobicContact CE1-CE 3.93Å; F185-M194 HydrophobicContact CE1-SD 4.39Å; F185-M194 HydrophobicContact CZ-CE 3.86Å; M194-F332 HydrophobicContact CE-CE2 3.81Å; M194-F332 HydrophobicContact CE-CZ 4.34Å
195F98Very high95.3Very high14 Ų1446.6 Ų46.66%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-106.7113.3179.6-68.9-96.3000109.7K31 L32 L33 L34 I180 I181 E182 R193K31-F195 HydrophobicContact CD-CD2 4.35Å; K31-F195 HydrophobicContact CD-CE2 3.94Å; K31-F195 HydrophobicContact CG-CD2 3.87Å; K31-F195 HydrophobicContact CG-CE2 3.7Å; L32-F195 PolarHBondContact O-N 2.81Å; L33-F195 HydrophobicContact CD1-CB 3.81Å; L34-F195 PolarHBondContact N-O 2.87Å; I180-F195 HydrophobicContact CG2-CD1 3.86Å; I181-F195 WeakPolarHBondContact O-CA 3.27Å; E182-F195 HydrophobicContact CB-CD1 4.27Å; E182-F195 HydrophobicContact CB-CE1 4.02Å; E182-F195 HydrophobicContact CB-CZ 4.45Å; E182-F195 HydrophobicContact CG-CD1 4.41Å; E182-F195 HydrophobicContact CG-CE1 3.94Å; E182-F195 HydrophobicContact CG-CE2 4.26Å; E182-F195 HydrophobicContact CG-CZ 3.86Å; E182-F195 WeakPolarHBondContact OE2-CE1 3.31Å; E182-F195 VanDerWaalsContact OE2-CZ 3.3Å; E182-F195 WeakPolarHBondContact OE2-CZ 3.22Å; R193-F195 HydrophobicContact CB-CE2 3.84Å; R193-F195 WeakPolarHBondContact O-CD2 3.32Å
196D97.8Very high95.2Very high3 Ų349.9 Ų49.92%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-99.5135169.6-178.632.8000110.2L34 K42 S43 V46 I180 I181L34-D196 HydrophobicContact CD1-CB 4.41Å; K42-D196 WeakPolarHBondContact CB-OD1 3.47Å; S43-D196 WeakPolarHBondContact CA-OD2 3.46Å; S43-D196 VanDerWaalsContact CB-OD2 3.31Å; S43-D196 WeakPolarHBondContact CB-OD2 3.43Å; S43-D196 PolarHBondContact OG-OD2 3.31Å; V46-D196 HydrophobicContact CG2-CB 3.6Å; I180-D196 WeakPolarHBondContact CA-O 3.33Å; I181-D196 PolarHBondContact N-O 3.42Å; I181-D196 PolarHBondContact O-N 3.09Å
197V97.6Very high95.3Very high0 Ų046.8 Ų46.80%022%0.218CC..EExtended strand (participates in β ladder)trans-129.8148-174.7-60.60000110.6L33 L34 L35 K42 I180 G199 W207L33-V197 HydrophobicContact CD1-CG1 4.37Å; L34-V197 WeakPolarHBondContact O-CG2 3.24Å; L35-V197 HydrophobicContact CD2-CG2 3.77Å; K42-V197 WeakPolarHBondContact CE-O 3.05Å; I180-V197 HydrophobicContact CB-CG1 4.4Å; I180-V197 HydrophobicContact CG1-CG1 3.89Å; I180-V197 HydrophobicContact CG2-CG1 4.28Å; V197-G199 PolarHBondContact O-N 3.39Å; V197-W207 VanDerWaalsContact CG2-CD1 3.49Å; V197-W207 HydrophobicContact CG2-CD2 4.21Å; V197-W207 HydrophobicContact CG2-CG 4.08Å; V197-W207 HydrophobicContact CG2-CZ2 4.31Å
198G96.3Very high95.2Very high0 Ų048.4 Ų48.40%023%0.228CC..  trans-54.3126.9174.200000112T177 G179 E203 W207T177-G198 WeakPolarHBondContact O-CA 3.38Å; G179-G198 PolarHBondContact O-N 2.69Å; G198-E203 WeakPolarHBondContact O-CB 3.33Å; G198-W207 PolarHBondContact O-NE1 3.39Å
199G94.9Very high95.4Very high2 Ų251.8 Ų51.82%0.02124%0.244CC..  trans-87.5-20.3-175.200000115.2G36 G38 V197 R204G36-G199 WeakPolarHBondContact O-CA 3.47Å; G38-G199 PolarHBondContact N-O 3.33Å; V197-G199 PolarHBondContact O-N 3.39Å; G199-R204 PolarHBondContact O-NE 3.27Å; G199-R204 VanDerWaalsContact O-NE 3.09Å
200Q95.4Very high95.7Very high17 Ų1745.3 Ų45.38%0.07921%0.21CC..SBendtrans-65.5152.3-178.7-66.980.910.500111S202 E203 R204 E232Q200-S202 PolarHBondContact O-N 3.27Å; Q200-S202 VanDerWaalsContact O-N 3.11Å; Q200-E203 PolarHBondContact O-N 2.78Å; Q200-R204 WeakPolarHBondContact O-CG 3.5Å; Q200-R204 PolarHBondContact O-N 2.76Å; Q200-E232 WeakPolarHBondContact CA-OE1 3.42Å; Q200-E232 VanDerWaalsContact CB-OE1 3.31Å; Q200-E232 WeakPolarHBondContact CB-OE1 3.41Å
201R95.5Very high95.7Very high92 Ų9245 Ų4535%0.34721%0.208SC..THydrogen-bonded Turntrans-52.6-38.6-176.1-74.5-177.8170.5174.5-1.6112.9E203 R204 E232 D233 E241R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 PolarHBondContact O-N 2.69Å; R201-R204 PolarHBondContact O-N 3.5Å; R201-E232 PolarHBondContact N-OE1 3.06Å; R201-D233 IonicContact CZ-OD2 3.5Å; R201-D233 IonicContact NH1-OD2 3.63Å; R201-D233 PolarHBondContact NH1-OD2 3.31Å; R201-D233 IonicContact NH2-OD2 3.81Å; R201-E241 IonicContact CZ-OE2 2.66Å; R201-E241 IonicContact NE-OE1 2.72Å; R201-E241 PolarHBondContact NE-OE1 3.42Å; R201-E241 IonicContact NE-OE2 3.12Å; R201-E241 IonicContact NH2-OE1 2.7Å; R201-E241 IonicContact NH2-OE2 3.48Å; R201-E241 PolarHBondContact NH2-OE2 3.11Å
202S94.8Very high95.6Very high76 Ų7650.3 Ų50.353%0.53123%0.231SC..THydrogen-bonded Turntrans-66.2-24.3178.955.40000114.6Q200Q200-S202 PolarHBondContact O-N 3.27Å; Q200-S202 VanDerWaalsContact O-N 3.11Å
203E96.3Very high95.3Very high18 Ų1853.2 Ų53.28%0.08426%0.261CS..THydrogen-bonded Turntrans-91.3-20.2-176.8-62.9-60.2103.200112.8T178 G179 G198 Q200 R201 K205 K206T178-E203 WeakPolarHBondContact CA-OE2 3.48Å; G179-E203 PolarHBondContact N-OE2 3.24Å; G198-E203 WeakPolarHBondContact O-CB 3.33Å; Q200-E203 PolarHBondContact O-N 2.78Å; R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 PolarHBondContact O-N 2.69Å; E203-K205 VanDerWaalsContact C-N 3.27Å; E203-K205 PolarHBondContact O-N 2.61Å; E203-K206 VanDerWaalsContact CD-NZ 3.26Å; E203-K206 VanDerWaalsContact O-CB 3.31Å; E203-K206 WeakPolarHBondContact O-CB 3.42Å; E203-K206 PolarHBondContact O-N 2.87Å; E203-K206 IonicContact OE1-NZ 2.97Å; E203-K206 PolarHBondContact OE1-NZ 3.27Å; E203-K206 IonicContact OE2-NZ 3.07Å; E203-K206 PolarHBondContact OE2-NZ 3.28Å
204R95.3Very high95.2Very high49 Ų4949.3 Ų49.319%0.18525%0.248CC..G310 helixtrans-64.5-26.3-170.5-55.6-165.2-169.7152.95.7115G199 Q200 R201 K206 W207 E241G199-R204 PolarHBondContact O-NE 3.27Å; G199-R204 VanDerWaalsContact O-NE 3.09Å; Q200-R204 WeakPolarHBondContact O-CG 3.5Å; Q200-R204 PolarHBondContact O-N 2.76Å; R201-R204 PolarHBondContact O-N 3.5Å; R204-K206 PolarHBondContact O-N 3.21Å; R204-K206 VanDerWaalsContact O-N 3.17Å; R204-W207 HydrophobicContact CB-CD2 4.16Å; R204-W207 HydrophobicContact CB-CZ2 4.33Å; R204-W207 HydrophobicContact CG-CD2 4.4Å; R204-W207 HydrophobicContact CG-CH2 4.08Å; R204-W207 HydrophobicContact CG-CZ2 3.68Å; R204-W207 VanDerWaalsContact O-CB 3.32Å; R204-W207 WeakPolarHBondContact O-CB 3.22Å; R204-W207 VanDerWaalsContact O-CG 3.28Å; R204-W207 PolarHBondContact O-N 3.19Å; R204-W207 VanDerWaalsContact O-N 3.09Å; R204-E241 IonicContact CZ-OE1 3.69Å; R204-E241 IonicContact NH1-OE1 3.47Å; R204-E241 PolarHBondContact NH1-OE1 3.39Å; R204-E241 IonicContact NH2-OE1 2.61Å; R204-E241 PolarHBondContact NH2-OE1 2.91Å
205K94.3Very high95Very high187 Ų18750.9 Ų50.981%0.81326%0.257SS*.G310 helixtrans-59.5-26.3174.3-67.7-177-178.9177.90112.1E203 W207 I208E203-K205 VanDerWaalsContact C-N 3.27Å; E203-K205 PolarHBondContact O-N 2.61Å; K205-W207 VanDerWaalsContact C-N 3.32Å; K205-I208 WeakPolarHBondContact O-CG2 3.32Å
206K95.7Very high94.9Very high79 Ų7950.2 Ų50.234%0.34326%0.255SS..G310 helixtrans-77.5-17-179.6-55.8174.5-173.7167.70112.6E203 R204 I208 H209E203-K206 VanDerWaalsContact CD-NZ 3.26Å; E203-K206 VanDerWaalsContact O-CB 3.31Å; E203-K206 WeakPolarHBondContact O-CB 3.42Å; E203-K206 PolarHBondContact O-N 2.87Å; E203-K206 IonicContact OE1-NZ 2.97Å; E203-K206 PolarHBondContact OE1-NZ 3.27Å; E203-K206 IonicContact OE2-NZ 3.07Å; E203-K206 PolarHBondContact OE2-NZ 3.28Å; R204-K206 PolarHBondContact O-N 3.21Å; R204-K206 VanDerWaalsContact O-N 3.17Å; K206-I208 PolarHBondContact O-N 2.98Å; K206-H209 WeakPolarHBondContact O-CB 3.41Å; K206-H209 PolarHBondContact O-CD2 3.33Å; K206-H209 PolarHBondContact O-N 3.1Å; K206-H209 VanDerWaalsContact O-N 3.17Å
207W96Very high94.9Very high10 Ų1050.1 Ų50.14%0.03825%0.254CS..G310 helixtrans-61.8-32.4-174.1-65.92.5000113.4L35 V197 G198 R204 K205 H209 C210 F211 L245 I249L35-W207 HydrophobicContact CD2-CD2 3.82Å; L35-W207 HydrophobicContact CD2-CE3 3.69Å; L35-W207 HydrophobicContact CD2-CG 4.33Å; L35-W207 HydrophobicContact CD2-CH2 4.36Å; L35-W207 HydrophobicContact CD2-CZ2 4.5Å; L35-W207 HydrophobicContact CD2-CZ3 3.97Å; V197-W207 VanDerWaalsContact CG2-CD1 3.49Å; V197-W207 HydrophobicContact CG2-CD2 4.21Å; V197-W207 HydrophobicContact CG2-CG 4.08Å; V197-W207 HydrophobicContact CG2-CZ2 4.31Å; G198-W207 PolarHBondContact O-NE1 3.39Å; R204-W207 HydrophobicContact CB-CD2 4.16Å; R204-W207 HydrophobicContact CB-CZ2 4.33Å; R204-W207 HydrophobicContact CG-CD2 4.4Å; R204-W207 HydrophobicContact CG-CH2 4.08Å; R204-W207 HydrophobicContact CG-CZ2 3.68Å; R204-W207 VanDerWaalsContact O-CB 3.32Å; R204-W207 WeakPolarHBondContact O-CB 3.22Å; R204-W207 VanDerWaalsContact O-CG 3.28Å; R204-W207 PolarHBondContact O-N 3.19Å; R204-W207 VanDerWaalsContact O-N 3.09Å; K205-W207 VanDerWaalsContact C-N 3.32Å; W207-H209 PolarHBondContact O-N 2.95Å; W207-C210 PolarHBondContact O-N 3.3Å; W207-F211 HydrophobicContact CB-CE1 3.78Å; W207-F211 HydrophobicContact CB-CZ 4.14Å; W207-F211 WeakPolarHBondContact O-CD1 3.42Å; W207-F211 VanDerWaalsContact O-CE1 3.26Å; W207-F211 WeakPolarHBondContact O-CE1 3.38Å; W207-L245 HydrophobicContact CH2-CD1 3.79Å; W207-L245 HydrophobicContact CH2-CD2 3.75Å; W207-L245 HydrophobicContact CH2-CG 4.21Å; W207-L245 HydrophobicContact CZ3-CD1 3.63Å; W207-L245 HydrophobicContact CZ3-CD2 4.34Å; W207-L245 HydrophobicContact CZ3-CG 4.31Å; W207-I249 HydrophobicContact CE3-CD1 4.23Å; W207-I249 HydrophobicContact CZ3-CD1 4.1Å; W207-I249 HydrophobicContact CZ3-CG1 4.44Å
208I92.8Very high94.9Very high80 Ų8050.1 Ų50.141%0.4125%0.254SS..G310 helixtrans-55.7-27.7179.3-168.559.6000112.6K205 K206 C210 F211 Y254K205-I208 WeakPolarHBondContact O-CG2 3.32Å; K206-I208 PolarHBondContact O-N 2.98Å; I208-C210 PolarHBondContact O-N 2.98Å; I208-F211 HydrophobicContact CD1-CB 4.37Å; I208-F211 HydrophobicContact CD1-CD2 3.6Å; I208-F211 HydrophobicContact CD1-CE2 4.17Å; I208-F211 HydrophobicContact CD1-CG 4.14Å; I208-F211 PolarHBondContact O-N 3.42Å; I208-Y254 HydrophobicContact CD1-CE2 4.31Å
209H93.4Very high95Very high149 Ų14950.1 Ų50.169%0.6925%0.254SS*.G310 helixtrans-68.8-9.5177.6-58.2-60.1000113.7I180 K206 W207I180-H209 HydrophobicContact CD1-CB 3.89Å; K206-H209 WeakPolarHBondContact O-CB 3.41Å; K206-H209 PolarHBondContact O-CD2 3.33Å; K206-H209 PolarHBondContact O-N 3.1Å; K206-H209 VanDerWaalsContact O-N 3.17Å; W207-H209 PolarHBondContact O-N 2.95Å
210C95Very high95.2Very high3 Ų350 Ų502%0.0225%0.253CS..G310 helixtrans-109.7-3.2178.4-59.60000113.9K31 L33 I180 W207 I208 E212 V214K31-C210 WeakPolarHBondContact CE-O 3.38Å; K31-C210 PolarHBondContact NZ-O 3.19Å; L33-C210 HydrophobicContact CD1-CB 3.7Å; L33-C210 HydrophobicContact CD2-CB 4.39Å; I180-C210 VanDerWaalsContact CD1-SG 3.54Å; I180-C210 WeakPolarHBondContact CG2-SG 3.43Å; W207-C210 PolarHBondContact O-N 3.3Å; I208-C210 PolarHBondContact O-N 2.98Å; C210-E212 PolarHBondContact O-N 3.39Å; C210-V214 WeakPolarHBondContact O-CG2 3.28Å
211F94.2Very high95.4Very high15 Ų1549.2 Ų49.27%0.06625%0.249CC..  trans-76.6-18.3-166.4-78.115.7000114.6L33 W207 I208 I249 H252 Y254 F255L33-F211 HydrophobicContact CD2-CD1 3.86Å; L33-F211 HydrophobicContact CD2-CE1 4Å; W207-F211 HydrophobicContact CB-CE1 3.78Å; W207-F211 HydrophobicContact CB-CZ 4.14Å; W207-F211 WeakPolarHBondContact O-CD1 3.42Å; W207-F211 VanDerWaalsContact O-CE1 3.26Å; W207-F211 WeakPolarHBondContact O-CE1 3.38Å; I208-F211 HydrophobicContact CD1-CB 4.37Å; I208-F211 HydrophobicContact CD1-CD2 3.6Å; I208-F211 HydrophobicContact CD1-CE2 4.17Å; I208-F211 HydrophobicContact CD1-CG 4.14Å; I208-F211 PolarHBondContact O-N 3.42Å; F211-I249 HydrophobicContact CZ-CD1 4.32Å; F211-H252 AromaticContact CD2-CE1 3.8Å; F211-H252 AromaticContact CE2-CE1 3.61Å; F211-H252 AromaticContact CE2-ND1 3.82Å; F211-Y254 HydrophobicContact CB-CD1 4.48Å; F211-Y254 HydrophobicContact CD2-CG 4.42Å; F211-F255 HydrophobicContact CB-CE1 4.11Å; F211-F255 HydrophobicContact CB-CZ 4.17Å; F211-F255 HydrophobicContact CD1-CE1 4.09Å; F211-F255 HydrophobicContact CD1-CE2 4.26Å; F211-F255 AromaticContact CD1-CZ 3.36Å; F211-F255 HydrophobicContact CD1-CZ 3.36Å; F211-F255 HydrophobicContact CD2-CE1 4.2Å; F211-F255 HydrophobicContact CD2-CE2 4.01Å; F211-F255 AromaticContact CD2-CZ 3.59Å; F211-F255 HydrophobicContact CD2-CZ 3.59Å; F211-F255 AromaticContact CE1-CE2 3.93Å; F211-F255 HydrophobicContact CE1-CE2 3.93Å; F211-F255 AromaticContact CE1-CZ 3.44Å; F211-F255 HydrophobicContact CE1-CZ 3.44Å; F211-F255 VanDerWaalsContact CE1-CZ 3.44Å; F211-F255 AromaticContact CE2-CE2 3.69Å; F211-F255 HydrophobicContact CE2-CE2 3.69Å; F211-F255 AromaticContact CE2-CZ 3.68Å; F211-F255 HydrophobicContact CE2-CZ 3.68Å; F211-F255 AromaticContact CG-CE1 3.89Å; F211-F255 HydrophobicContact CG-CE1 3.89Å; F211-F255 HydrophobicContact CG-CE2 4.29Å; F211-F255 AromaticContact CG-CZ 3.43Å; F211-F255 HydrophobicContact CG-CZ 3.43Å; F211-F255 VanDerWaalsContact CG-CZ 3.43Å; F211-F255 AromaticContact CZ-CE2 3.63Å; F211-F255 HydrophobicContact CZ-CE2 3.63Å; F211-F255 AromaticContact CZ-CZ 3.6Å; F211-F255 HydrophobicContact CZ-CZ 3.6Å
212E92.5Very high95.5Very high167 Ų16745.3 Ų45.378%0.7824%0.237SC*.THydrogen-bonded Turntrans-74.5137.5178.5-173.7172.8-164.300111.9K31 C210 V214K31-E212 PolarHBondContact NZ-O 2.92Å; C210-E212 PolarHBondContact O-N 3.39Å; E212-V214 VanDerWaalsContact C-N 3.26Å; E212-V214 PolarHBondContact O-N 3.14Å
213G91.4Very high95.7Very high62 Ų6241.7 Ų41.764%0.63921%0.212SC*.THydrogen-bonded Turntrans62.725.7172.200000115.1K31 T215K31-G213 WeakPolarHBondContact CB-O 3.32Å; K31-G213 WeakPolarHBondContact CD-O 3.48Å; G213-T215 PolarHBondContact O-N 2.83Å
214V95.2Very high95.7Very high13 Ų1340.9 Ų40.98%0.07921%0.208CC..  trans-74122.4177.1-179.90000109.6K31 L33 C210 E212 C216 I217 F255 T258K31-V214 HydrophobicContact CD-CG2 4.31Å; L33-V214 HydrophobicContact CB-CG1 3.8Å; L33-V214 HydrophobicContact CB-CG2 4.18Å; L33-V214 HydrophobicContact CD2-CG2 4.02Å; C210-V214 WeakPolarHBondContact O-CG2 3.28Å; E212-V214 VanDerWaalsContact C-N 3.26Å; E212-V214 PolarHBondContact O-N 3.14Å; V214-C216 WeakPolarHBondContact CG1-O 3.4Å; V214-I217 HydrophobicContact CG1-CG1 3.88Å; V214-F255 HydrophobicContact CG2-CE1 4.34Å; V214-T258 HydrophobicContact CB-CG2 4.16Å; V214-T258 HydrophobicContact CG1-CG2 3.77Å; V214-T258 WeakPolarHBondContact O-CG2 3.23Å
215T93.6Very high95.9Very high32 Ų3239 Ų3920%0.19620%0.203CC..SBendtrans-76.2-48.6175.4-460000110.6V30 K31 G213 I339V30-T215 HydrophobicContact CG1-CG2 4Å; K31-T215 PolarHBondContact N-OG1 3.29Å; K31-T215 WeakPolarHBondContact O-CB 3.24Å; K31-T215 PolarHBondContact O-N 2.76Å; G213-T215 PolarHBondContact O-N 2.83Å; T215-I339 HydrophobicContact CG2-CG2 3.99Å
216C95.4Very high96Very high1 Ų130.1 Ų30.11%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-145.8140.4-179.4178.10000111.4K31 L32 L33 V214 S259 I339K31-C216 PolarHBondContact O-N 3.02Å; L32-C216 WeakPolarHBondContact CA-O 3.42Å; L32-C216 HydrophobicContact CD2-CB 3.72Å; L33-C216 PolarHBondContact N-O 3.49Å; V214-C216 WeakPolarHBondContact CG1-O 3.4Å; C216-S259 WeakPolarHBondContact CA-O 3.28Å; C216-I339 HydrophobicContact CB-CD1 3.78Å; C216-I339 HydrophobicContact CB-CG1 3.95Å
217I97.2Very high96.1Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-99.2128.3170.8-63.5170000108.7L33 L35 V214 I249 F255 T258 S259 I260 V261L33-I217 HydrophobicContact CB-CG1 4.45Å; L33-I217 WeakPolarHBondContact O-CA 3.46Å; L35-I217 HydrophobicContact CB-CG2 4.38Å; L35-I217 HydrophobicContact CD1-CD1 4.46Å; L35-I217 HydrophobicContact CD1-CG2 3.92Å; L35-I217 HydrophobicContact CG-CG2 4.24Å; V214-I217 HydrophobicContact CG1-CG1 3.88Å; I217-I249 HydrophobicContact CD1-CG2 4.17Å; I217-I249 HydrophobicContact CG2-CG2 4.36Å; I217-F255 HydrophobicContact CD1-CB 3.96Å; I217-F255 HydrophobicContact CD1-CD1 3.53Å; I217-F255 HydrophobicContact CD1-CD2 3.43Å; I217-F255 VanDerWaalsContact CD1-CD2 3.43Å; I217-F255 HydrophobicContact CD1-CE1 3.7Å; I217-F255 HydrophobicContact CD1-CE2 3.61Å; I217-F255 HydrophobicContact CD1-CG 3.37Å; I217-F255 HydrophobicContact CD1-CZ 3.7Å; I217-F255 HydrophobicContact CG1-CE1 4.49Å; I217-T258 HydrophobicContact CD1-CG2 4.11Å; I217-T258 HydrophobicContact CG1-CG2 3.91Å; I217-S259 PolarHBondContact N-O 3.37Å; I217-I260 HydrophobicContact CB-CG1 4.28Å; I217-I260 HydrophobicContact CD1-CD1 4.44Å; I217-I260 HydrophobicContact CD1-CG1 4.4Å; I217-I260 WeakPolarHBondContact O-CA 3.11Å; I217-V261 PolarHBondContact O-N 3.31Å
218I98.1Very high96.2Very high0 Ų027.4 Ų27.40%015%0.154CC..EExtended strand (participates in β ladder)trans-103.4104.2165.6-59.8171.8000106.7L32 L33 L34 L35 I220 V261 F263 F332 V335L32-I218 HydrophobicContact CD1-CD1 4.24Å; L33-I218 PolarHBondContact O-N 2.99Å; L34-I218 WeakPolarHBondContact CA-O 3.31Å; L34-I218 HydrophobicContact CD2-CB 3.7Å; L34-I218 HydrophobicContact CD2-CD1 4Å; L34-I218 HydrophobicContact CD2-CG1 4.32Å; L34-I218 HydrophobicContact CD2-CG2 4.18Å; L35-I218 PolarHBondContact N-O 2.86Å; I218-I220 HydrophobicContact CG2-CD1 4.32Å; I218-I220 HydrophobicContact CG2-CG1 3.96Å; I218-V261 CarbonylContact C-O 3.53Å; I218-V261 WeakPolarHBondContact CA-O 3.45Å; I218-F263 HydrophobicContact CD1-CZ 4.39Å; I218-F263 HydrophobicContact CG2-CD1 4.04Å; I218-F263 HydrophobicContact CG2-CD2 3.56Å; I218-F263 HydrophobicContact CG2-CE1 4.08Å; I218-F263 HydrophobicContact CG2-CE2 3.62Å; I218-F263 HydrophobicContact CG2-CG 3.77Å; I218-F263 HydrophobicContact CG2-CZ 3.87Å; I218-F332 HydrophobicContact CD1-CE2 4.4Å; I218-V335 HydrophobicContact CD1-CG1 4.4Å
219F98.6Very high96.4Very high0 Ų026.1 Ų26.10%015%0.149CC..EExtended strand (participates in β ladder)trans-88.7125.1174-169.3-84.1000109.9L35 A221 L245 F246 I249 V261 L262 F263 F303L35-F219 HydrophobicContact CB-CD2 3.93Å; L35-F219 HydrophobicContact CB-CE2 4.47Å; L35-F219 CarbonylContact O-C 3.6Å; L35-F219 WeakPolarHBondContact O-CA 3.42Å; F219-A221 HydrophobicContact CE1-CB 4.23Å; F219-L245 HydrophobicContact CE2-CD2 4.05Å; F219-L245 HydrophobicContact CE2-CG 3.9Å; F219-L245 HydrophobicContact CZ-CB 4.23Å; F219-L245 HydrophobicContact CZ-CD2 3.96Å; F219-L245 HydrophobicContact CZ-CG 3.99Å; F219-F246 HydrophobicContact CB-CD2 3.96Å; F219-F246 HydrophobicContact CB-CE2 3.98Å; F219-F246 HydrophobicContact CD1-CB 4.34Å; F219-F246 AromaticContact CD1-CD2 3.49Å; F219-F246 HydrophobicContact CD1-CD2 3.49Å; F219-F246 VanDerWaalsContact CD1-CD2 3.49Å; F219-F246 HydrophobicContact CD1-CE2 4.19Å; F219-F246 HydrophobicContact CD1-CG 4.31Å; F219-F246 AromaticContact CD2-CD2 3.83Å; F219-F246 HydrophobicContact CD2-CD2 3.83Å; F219-F246 HydrophobicContact CE1-CB 3.8Å; F219-F246 AromaticContact CE1-CD2 3.85Å; F219-F246 HydrophobicContact CE1-CD2 3.85Å; F219-F246 HydrophobicContact CE1-CG 4.26Å; F219-F246 HydrophobicContact CE2-CB 4.16Å; F219-F246 HydrophobicContact CE2-CD2 4.15Å; F219-F246 AromaticContact CG-CD2 3.47Å; F219-F246 HydrophobicContact CG-CD2 3.47Å; F219-F246 VanDerWaalsContact CG-CD2 3.47Å; F219-F246 HydrophobicContact CG-CE2 4.03Å; F219-F246 HydrophobicContact CZ-CB 3.69Å; F219-F246 HydrophobicContact CZ-CD2 4.16Å; F219-F246 HydrophobicContact CZ-CG 4.45Å; F219-I249 HydrophobicContact CD2-CG2 4.48Å; F219-I249 HydrophobicContact CE2-CG1 4.29Å; F219-V261 PolarHBondContact N-O 3.01Å; F219-L262 HydrophobicContact CD1-CD1 3.86Å; F219-L262 CarbonylContact O-C 3.58Å; F219-L262 WeakPolarHBondContact O-CA 3.37Å; F219-F263 PolarHBondContact O-N 2.86Å; F219-F303 HydrophobicContact CE1-CE1 4.15Å
220I98.8Very high96.5Very high0 Ų019.5 Ų19.50%012%0.119CC..EExtended strand (participates in β ladder)trans-113.5118.2-175.1-46.8179.9000109.1L35 S40 K42 I45 I218 F263 N265L35-I220 PolarHBondContact O-N 3.49Å; S40-I220 WeakPolarHBondContact CB-O 3.44Å; S40-I220 VanDerWaalsContact O-CG2 3.27Å; S40-I220 WeakPolarHBondContact O-CG2 3.31Å; S40-I220 PolarHBondContact OG-O 3.22Å; K42-I220 HydrophobicContact CB-CD1 4.13Å; K42-I220 HydrophobicContact CG-CB 4.29Å; K42-I220 HydrophobicContact CG-CD1 3.76Å; K42-I220 HydrophobicContact CG-CG1 4.25Å; I45-I220 HydrophobicContact CB-CD1 4.38Å; I45-I220 HydrophobicContact CG1-CD1 3.84Å; I218-I220 HydrophobicContact CG2-CD1 4.32Å; I218-I220 HydrophobicContact CG2-CG1 3.96Å; I220-F263 WeakPolarHBondContact CA-O 3.49Å; I220-F263 HydrophobicContact CB-CB 4.42Å; I220-F263 HydrophobicContact CD1-CD2 4.49Å; I220-F263 HydrophobicContact CG1-CB 4.15Å; I220-F263 HydrophobicContact CG1-CD2 4.35Å; I220-F263 HydrophobicContact CG2-CB 4.17Å; I220-N265 HydrophobicContact CG2-CB 3.65Å
221A98.8Very high96.4Very high0 Ų023.7 Ų23.70%015%0.145CC..EExtended strand (participates in β ladder)trans-113.8134.3175.200000109.8F219 L223 S242 L262 F263 L264 N265 F303F219-A221 HydrophobicContact CE1-CB 4.23Å; A221-L223 PolarHBondContact O-N 3.29Å; A221-S242 WeakPolarHBondContact CB-OG 3.36Å; A221-L262 HydrophobicContact CB-CD1 4.44Å; A221-F263 PolarHBondContact N-O 2.77Å; A221-L264 HydrophobicContact CB-CD2 4.33Å; A221-L264 CarbonylContact O-C 3.28Å; A221-N265 PolarHBondContact O-N 3.01Å; A221-F303 HydrophobicContact CB-CE1 3.98Å; A221-F303 HydrophobicContact CB-CE2 4.02Å; A221-F303 HydrophobicContact CB-CZ 3.52Å
222A98.4Very high96.5Very high11 Ų1127 Ų279%0.09116%0.16CC..EExtended strand (participates in β ladder)trans-84.8113.2175.700000110.3S224 A225 M239 K266A222-S224 VanDerWaalsContact C-N 3.25Å; A222-S224 PolarHBondContact O-N 2.98Å; A222-A225 HydrophobicContact CB-CB 4.04Å; A222-A225 WeakPolarHBondContact O-CB 3.45Å; A222-A225 PolarHBondContact O-N 3.35Å; A222-M239 VanDerWaalsContact O-CE 3.22Å; A222-M239 WeakPolarHBondContact O-CE 3.45Å; A222-K266 HydrophobicContact CB-CD 3.95Å; A222-K266 HydrophobicContact CB-CG 4.47Å
223L98.6Very high96.6Very high0 Ų021.1 Ų21.10%013%0.134CC..G310 helixtrans-58.8-40.3174.6-73.2169.3000111.5A221 A225 Y226 L264 N265 K267 F270 I299 M319A221-L223 PolarHBondContact O-N 3.29Å; L223-A225 PolarHBondContact O-N 3.4Å; L223-Y226 WeakPolarHBondContact O-CD1 3.43Å; L223-L264 HydrophobicContact CD1-CB 3.96Å; L223-L264 HydrophobicContact CD2-CB 4Å; L223-L264 HydrophobicContact CD2-CD2 4.12Å; L223-L264 HydrophobicContact CD2-CG 4.45Å; L223-L264 HydrophobicContact CG-CB 3.9Å; L223-N265 WeakPolarHBondContact CB-O 3.32Å; L223-N265 PolarHBondContact N-O 3.38Å; L223-K267 HydrophobicContact CD1-CB 4.15Å; L223-F270 HydrophobicContact CB-CB 3.64Å; L223-F270 HydrophobicContact CB-CD1 4.19Å; L223-F270 HydrophobicContact CB-CD2 3.98Å; L223-F270 HydrophobicContact CB-CG 3.67Å; L223-F270 HydrophobicContact CD1-CD1 4.25Å; L223-F270 HydrophobicContact CD1-CG 4.49Å; L223-F270 WeakPolarHBondContact O-CD2 3.31Å; L223-I299 HydrophobicContact CD2-CB 4.15Å; L223-I299 HydrophobicContact CD2-CD1 3.93Å; L223-I299 HydrophobicContact CD2-CG2 3.86Å; L223-M319 HydrophobicContact CD1-SD 3.8Å
224S97.4Very high96.7Very high1 Ų124.4 Ų24.41%0.00714%0.137CC..G310 helixtrans-67.4-3.2-177.764.70000115A222 K266 K273A222-S224 VanDerWaalsContact C-N 3.25Å; A222-S224 PolarHBondContact O-N 2.98Å; S224-K266 VanDerWaalsContact OG-CD 3.32Å; S224-K266 WeakPolarHBondContact OG-CD 3.48Å; S224-K273 PolarHBondContact O-NZ 2.96Å
225A97.5Very high96.7Very high10 Ų1032.3 Ų32.38%0.08317%0.173CC..G310 helixtrans-92.21.2-17600000114A222 L223 D227 M228 R238A222-A225 HydrophobicContact CB-CB 4.04Å; A222-A225 WeakPolarHBondContact O-CB 3.45Å; A222-A225 PolarHBondContact O-N 3.35Å; L223-A225 PolarHBondContact O-N 3.4Å; A225-D227 VanDerWaalsContact C-N 3.27Å; A225-D227 PolarHBondContact O-N 2.86Å; A225-M228 PolarHBondContact O-N 2.68Å; A225-R238 HydrophobicContact CB-CB 3.76Å
226Y98Very high96.9Very high0 Ų032.5 Ų32.50%017%0.174CC..THydrogen-bonded Turntrans-61.2-28.6-174.776-82.7000114.5L223 N237 F270 K273 I274 A277 L279 C282L223-Y226 WeakPolarHBondContact O-CD1 3.43Å; Y226-N237 PolarHBondContact O-ND2 3.21Å; Y226-F270 AromaticContact CD1-CD2 3.84Å; Y226-F270 HydrophobicContact CD1-CD2 3.84Å; Y226-F270 AromaticContact CD1-CE2 3.82Å; Y226-F270 HydrophobicContact CD1-CE2 3.82Å; Y226-F270 AromaticContact CE1-CD2 3.81Å; Y226-F270 HydrophobicContact CE1-CD2 3.81Å; Y226-F270 AromaticContact CE1-CE2 3.83Å; Y226-F270 HydrophobicContact CE1-CE2 3.83Å; Y226-K273 HydrophobicContact CE1-CB 4.11Å; Y226-K273 VanDerWaalsContact OH-C 3.3Å; Y226-K273 PolarHBondContact OH-O 2.75Å; Y226-I274 HydrophobicContact CE2-CD1 4.38Å; Y226-I274 WeakPolarHBondContact OH-CA 3.49Å; Y226-I274 PolarHBondContact OH-N 2.76Å; Y226-A277 HydrophobicContact CE2-CB 4.41Å; Y226-A277 PolarHBondContact OH-O 2.76Å; Y226-L279 HydrophobicContact CD2-CD1 4.02Å; Y226-L279 HydrophobicContact CG-CD1 4.26Å; Y226-C282 HydrophobicContact CD2-CB 4.36Å; Y226-C282 VanDerWaalsContact O-CB 3.23Å; Y226-C282 WeakPolarHBondContact O-CB 3.43Å
227D97.3Very high97Very high21 Ų2133.7 Ų33.711%0.11218%0.181CC..THydrogen-bonded Turntrans-10823.7-179.164.1-23.8000111.8S140 A225 K273S140-D227 WeakPolarHBondContact CB-OD2 3.03Å; A225-D227 VanDerWaalsContact C-N 3.27Å; A225-D227 PolarHBondContact O-N 2.86Å; D227-K273 VanDerWaalsContact CG-NZ 3.31Å; D227-K273 WeakPolarHBondContact OD1-CE 3.38Å; D227-K273 IonicContact OD1-NZ 3.92Å; D227-K273 PolarHBondContact OD1-NZ 3.04Å; D227-K273 WeakPolarHBondContact OD2-CE 3.29Å; D227-K273 IonicContact OD2-NZ 3.82Å; D227-K273 PolarHBondContact OD2-NZ 3.24Å
228M97.1Very high97Very high11 Ų1135 Ų355%0.05419%0.185CC..  trans-126.7152.5-177.7-62.1-179.873.900111.7A225 N237 R238A225-M228 PolarHBondContact O-N 2.68Å; M228-N237 CarbonylContact O-C 3.52Å; M228-N237 WeakPolarHBondContact O-CA 3.29Å; M228-R238 HydrophobicContact CB-CG 4.12Å; M228-R238 WeakPolarHBondContact O-CG 3.5Å; M228-R238 PolarHBondContact O-N 3.24Å
229V97.3Very high97Very high52 Ų5235 Ų3532%0.31519%0.186SC..BIsolated β-bridgetrans-102.6159172.6-59.10000111.9Q143 D234 V236 R238Q143-V229 PolarHBondContact NE2-O 2.8Å; Q143-V229 VanDerWaalsContact NE2-O 3.14Å; V229-D234 WeakPolarHBondContact CG1-O 3.42Å; V229-D234 HydrophobicContact CG2-CB 4.27Å; V229-V236 CarbonylContact C-O 3.59Å; V229-V236 VanDerWaalsContact CA-O 3.28Å; V229-V236 WeakPolarHBondContact CA-O 3.35Å; V229-R238 VanDerWaalsContact C-CG 3.43Å; V229-R238 WeakPolarHBondContact O-CG 3.33Å; V229-R238 PolarHBondContact O-NE 3.32Å
230L96.1Very high97Very high10 Ų1038.3 Ų38.35%0.05220%0.201CC..  trans-65.7153.2179.5-64.9171.8000111.3Q143 E232 D233 V236 R238 E241Q143-L230 PolarHBondContact NE2-O 2.97Å; L230-E232 VanDerWaalsContact C-N 3.29Å; L230-D233 HydrophobicContact CB-CB 4.31Å; L230-D233 WeakPolarHBondContact CB-O 3.33Å; L230-D233 HydrophobicContact CD1-CB 4.32Å; L230-D233 PolarHBondContact N-O 3.38Å; L230-D233 CarbonylContact O-C 3.58Å; L230-V236 HydrophobicContact CD1-CB 3.91Å; L230-V236 HydrophobicContact CD1-CG1 3.65Å; L230-V236 HydrophobicContact CG-CB 4.41Å; L230-V236 HydrophobicContact CG-CG1 4.25Å; L230-V236 PolarHBondContact N-O 2.77Å; L230-R238 HydrophobicContact CD2-CB 4.36Å; L230-R238 HydrophobicContact CD2-CG 3.9Å; L230-R238 HydrophobicContact CG-CG 4.36Å; L230-E241 HydrophobicContact CD1-CB 3.91Å; L230-E241 HydrophobicContact CD1-CG 3.75Å; L230-E241 HydrophobicContact CD2-CB 4.05Å; L230-E241 HydrophobicContact CD2-CG 3.88Å; L230-E241 HydrophobicContact CG-CB 4.29Å; L230-E241 HydrophobicContact CG-CG 4.36Å
231V93.5Very high97Very high92 Ų9239 Ų3956%0.55820%0.204SC*.SBendtrans-69.7-36.2168.8179.50000109.7Q143 D233Q143-V231 HydrophobicContact CB-CG2 4.49Å; Q143-V231 HydrophobicContact CG-CG2 4.04Å; Q143-V231 VanDerWaalsContact OE1-CG2 3.3Å; V231-D233 VanDerWaalsContact C-N 3.3Å; V231-D233 PolarHBondContact O-N 3.16Å
232E94.7Very high97Very high84 Ų8439.3 Ų39.339%0.39321%0.206SC..SBendtrans-76.4-14.5-178-58.899.8133.700114.1Q200 R201 L230Q200-E232 WeakPolarHBondContact CA-OE1 3.42Å; Q200-E232 VanDerWaalsContact CB-OE1 3.31Å; Q200-E232 WeakPolarHBondContact CB-OE1 3.41Å; R201-E232 PolarHBondContact N-OE1 3.06Å; L230-E232 VanDerWaalsContact C-N 3.29Å
233D95.2Very high97Very high44 Ų4439.5 Ų39.524%0.23521%0.206CC..  trans-166.5101.9-168.8-166.8-21.2000110.1R201 L230 V231 E235 V236R201-D233 IonicContact CZ-OD2 3.5Å; R201-D233 IonicContact NH1-OD2 3.63Å; R201-D233 PolarHBondContact NH1-OD2 3.31Å; R201-D233 IonicContact NH2-OD2 3.81Å; L230-D233 HydrophobicContact CB-CB 4.31Å; L230-D233 WeakPolarHBondContact CB-O 3.33Å; L230-D233 HydrophobicContact CD1-CB 4.32Å; L230-D233 PolarHBondContact N-O 3.38Å; L230-D233 CarbonylContact O-C 3.58Å; V231-D233 VanDerWaalsContact C-N 3.3Å; V231-D233 PolarHBondContact O-N 3.16Å; D233-E235 PolarHBondContact O-N 3.45Å; D233-E235 PolarHBondContact OD1-N 3.38Å; D233-V236 HydrophobicContact CB-CB 4.24Å; D233-V236 HydrophobicContact CB-CG2 4.23Å; D233-V236 VanDerWaalsContact CG-CG2 3.45Å; D233-V236 PolarHBondContact O-N 3.46Å; D233-V236 VanDerWaalsContact OD2-CG2 3.26Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.5Å
234D93.3Very high97Very high131 Ų13145.5 Ų45.570%0.70123%0.233SC*.THydrogen-bonded Turntrans-77.3-6-173.961.7-17.5000113.9V229V229-D234 WeakPolarHBondContact CG1-O 3.42Å; V229-D234 HydrophobicContact CG2-CB 4.27Å
235E95.6Very high97Very high178 Ų17845.9 Ų45.983%0.83224%0.235SC*.THydrogen-bonded Turntrans-89.7-13.3172.1-59.5-169.5148.400112.5D233D233-E235 PolarHBondContact O-N 3.45Å; D233-E235 PolarHBondContact OD1-N 3.38Å
236V97Very high97Very high36 Ų3645.4 Ų45.422%0.21823%0.231CC..SBendtrans-105.6118.7-174.5177.90000111.4V229 L230 D233 E241V229-V236 CarbonylContact C-O 3.59Å; V229-V236 VanDerWaalsContact CA-O 3.28Å; V229-V236 WeakPolarHBondContact CA-O 3.35Å; L230-V236 HydrophobicContact CD1-CB 3.91Å; L230-V236 HydrophobicContact CD1-CG1 3.65Å; L230-V236 HydrophobicContact CG-CB 4.41Å; L230-V236 HydrophobicContact CG-CG1 4.25Å; L230-V236 PolarHBondContact N-O 2.77Å; D233-V236 HydrophobicContact CB-CB 4.24Å; D233-V236 HydrophobicContact CB-CG2 4.23Å; D233-V236 VanDerWaalsContact CG-CG2 3.45Å; D233-V236 PolarHBondContact O-N 3.46Å; D233-V236 VanDerWaalsContact OD2-CG2 3.26Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.5Å; V236-E241 HydrophobicContact CG1-CB 4.12Å
237N97.9Very high97Very high27 Ų2747.7 Ų47.714%0.14424%0.243CC..BIsolated β-bridgetrans-63.6134171.4-178.3-73.4000111.8Y226 M228 M239 H240 E241Y226-N237 PolarHBondContact O-ND2 3.21Å; M228-N237 CarbonylContact O-C 3.52Å; M228-N237 WeakPolarHBondContact O-CA 3.29Å; N237-M239 VanDerWaalsContact C-N 3.35Å; N237-M239 PolarHBondContact O-N 2.97Å; N237-M239 WeakPolarHBondContact OD1-CA 3.37Å; N237-M239 VanDerWaalsContact OD1-CB 3.32Å; N237-M239 WeakPolarHBondContact OD1-CB 3.35Å; N237-M239 PolarHBondContact OD1-N 2.97Å; N237-H240 HydrophobicContact CB-CB 4.25Å; N237-H240 PolarHBondContact O-N 3.04Å; N237-H240 PolarHBondContact OD1-N 3.14Å; N237-E241 PolarHBondContact O-N 3.13Å
238R97.9Very high97Very high26 Ų2649.7 Ų49.710%0.09826%0.259CS..Hα-helixtrans-64.2-34.1-175.8-66-166.7174.3-158.6-2.9113.6E39 A225 M228 V229 L230 S242E39-R238 IonicContact OE2-CZ 3.5Å; E39-R238 IonicContact OE2-NH1 3.41Å; E39-R238 PolarHBondContact OE2-NH1 3.22Å; E39-R238 IonicContact OE2-NH2 2.74Å; E39-R238 PolarHBondContact OE2-NH2 2.97Å; A225-R238 HydrophobicContact CB-CB 3.76Å; M228-R238 HydrophobicContact CB-CG 4.12Å; M228-R238 WeakPolarHBondContact O-CG 3.5Å; M228-R238 PolarHBondContact O-N 3.24Å; V229-R238 VanDerWaalsContact C-CG 3.43Å; V229-R238 WeakPolarHBondContact O-CG 3.33Å; V229-R238 PolarHBondContact O-NE 3.32Å; L230-R238 HydrophobicContact CD2-CB 4.36Å; L230-R238 HydrophobicContact CD2-CG 3.9Å; L230-R238 HydrophobicContact CG-CG 4.36Å; R238-S242 WeakPolarHBondContact O-CB 3.44Å; R238-S242 PolarHBondContact O-N 3.13Å
239M98.4Very high97Very high1 Ų149.4 Ų49.41%0.00526%0.258CS..Hα-helixtrans-70.9-42177.4-179.961.769.200111.2A222 N237 S242 L243 F283 I299 F303A222-M239 VanDerWaalsContact O-CE 3.22Å; A222-M239 WeakPolarHBondContact O-CE 3.45Å; N237-M239 VanDerWaalsContact C-N 3.35Å; N237-M239 PolarHBondContact O-N 2.97Å; N237-M239 WeakPolarHBondContact OD1-CA 3.37Å; N237-M239 VanDerWaalsContact OD1-CB 3.32Å; N237-M239 WeakPolarHBondContact OD1-CB 3.35Å; N237-M239 PolarHBondContact OD1-N 2.97Å; M239-S242 CarbonylContact O-C 3.55Å; M239-S242 WeakPolarHBondContact O-CA 3.36Å; M239-S242 WeakPolarHBondContact O-CB 3.41Å; M239-S242 PolarHBondContact O-N 3.25Å; M239-S242 VanDerWaalsContact O-N 3.09Å; M239-L243 HydrophobicContact CG-CD1 4.43Å; M239-L243 WeakPolarHBondContact O-CG 3.24Å; M239-L243 PolarHBondContact O-N 2.88Å; M239-F283 HydrophobicContact CG-CE2 4.07Å; M239-F283 HydrophobicContact CG-CZ 3.79Å; M239-I299 HydrophobicContact CE-CD1 4.25Å; M239-I299 HydrophobicContact CE-CG2 3.99Å; M239-I299 HydrophobicContact SD-CG2 3.95Å; M239-F303 HydrophobicContact SD-CE2 3.58Å; M239-F303 VanDerWaalsContact SD-CE2 3.58Å; M239-F303 HydrophobicContact SD-CZ 3.84Å
240H98.4Very high96.9Very high70 Ų7047 Ų4732%0.32424%0.243SC..Hα-helixtrans-60.9-43.8173.2-79-63.7000112.1N237 S242 L243 H244 C282N237-H240 HydrophobicContact CB-CB 4.25Å; N237-H240 PolarHBondContact O-N 3.04Å; N237-H240 PolarHBondContact OD1-N 3.14Å; H240-S242 VanDerWaalsContact C-N 3.28Å; H240-S242 PolarHBondContact O-N 3.49Å; H240-L243 PolarHBondContact O-N 3.31Å; H240-H244 PolarHBondContact O-CD2 2.91Å; H240-H244 PolarHBondContact O-N 3.48Å; H240-C282 PolarHBondContact NE2-O 3.32Å
241E98.2Very high96.9Very high15 Ų1547.8 Ų47.87%0.0725%0.247CC..Hα-helixtrans-56.9-42.4171.2176.271.5-176.900111.8R201 R204 L230 V236 N237 H244 L245R201-E241 IonicContact CZ-OE2 2.66Å; R201-E241 IonicContact NE-OE1 2.72Å; R201-E241 PolarHBondContact NE-OE1 3.42Å; R201-E241 IonicContact NE-OE2 3.12Å; R201-E241 IonicContact NH2-OE1 2.7Å; R201-E241 IonicContact NH2-OE2 3.48Å; R201-E241 PolarHBondContact NH2-OE2 3.11Å; R204-E241 IonicContact CZ-OE1 3.69Å; R204-E241 IonicContact NH1-OE1 3.47Å; R204-E241 PolarHBondContact NH1-OE1 3.39Å; R204-E241 IonicContact NH2-OE1 2.61Å; R204-E241 PolarHBondContact NH2-OE1 2.91Å; L230-E241 HydrophobicContact CD1-CB 3.91Å; L230-E241 HydrophobicContact CD1-CG 3.75Å; L230-E241 HydrophobicContact CD2-CB 4.05Å; L230-E241 HydrophobicContact CD2-CG 3.88Å; L230-E241 HydrophobicContact CG-CB 4.29Å; L230-E241 HydrophobicContact CG-CG 4.36Å; V236-E241 HydrophobicContact CG1-CB 4.12Å; N237-E241 PolarHBondContact O-N 3.13Å; E241-H244 PolarHBondContact O-N 3.19Å; E241-L245 VanDerWaalsContact O-CB 3.22Å; E241-L245 WeakPolarHBondContact O-CB 3.13Å; E241-L245 PolarHBondContact O-N 3.41Å
242S98.6Very high97Very high5 Ų546.1 Ų46.14%0.03523%0.234CC..Hα-helixtrans-65.9-38.9178.2-168.70000112.3A221 R238 M239 H240 F246A221-S242 WeakPolarHBondContact CB-OG 3.36Å; R238-S242 WeakPolarHBondContact O-CB 3.44Å; R238-S242 PolarHBondContact O-N 3.13Å; M239-S242 CarbonylContact O-C 3.55Å; M239-S242 WeakPolarHBondContact O-CA 3.36Å; M239-S242 WeakPolarHBondContact O-CB 3.41Å; M239-S242 PolarHBondContact O-N 3.25Å; M239-S242 VanDerWaalsContact O-N 3.09Å; H240-S242 VanDerWaalsContact C-N 3.28Å; H240-S242 PolarHBondContact O-N 3.49Å; S242-F246 WeakPolarHBondContact O-CB 3.42Å; S242-F246 PolarHBondContact O-N 3.19Å
243L98.7Very high96.9Very high16 Ų1651.2 Ų51.28%0.08425%0.249CC..Hα-helixtrans-65-48.1174.5-75166000111.2M239 H240 L245 F246 N247 F283 Q302 F303 L306M239-L243 HydrophobicContact CG-CD1 4.43Å; M239-L243 WeakPolarHBondContact O-CG 3.24Å; M239-L243 PolarHBondContact O-N 2.88Å; H240-L243 PolarHBondContact O-N 3.31Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 3.34Å; L243-F246 PolarHBondContact O-N 3.06Å; L243-N247 WeakPolarHBondContact O-CB 3.4Å; L243-N247 PolarHBondContact O-N 3.48Å; L243-F283 HydrophobicContact CD1-CE1 3.77Å; L243-F283 HydrophobicContact CD1-CZ 3.9Å; L243-Q302 HydrophobicContact CD2-CB 4.05Å; L243-F303 HydrophobicContact CD2-CB 4.46Å; L243-F303 HydrophobicContact CD2-CD1 3.82Å; L243-F303 HydrophobicContact CD2-CD2 3.76Å; L243-F303 HydrophobicContact CD2-CE1 3.85Å; L243-F303 HydrophobicContact CD2-CE2 3.79Å; L243-F303 HydrophobicContact CD2-CG 3.75Å; L243-F303 HydrophobicContact CD2-CZ 3.82Å; L243-F303 HydrophobicContact CG-CE1 4.27Å; L243-F303 HydrophobicContact CG-CE2 4.24Å; L243-F303 HydrophobicContact CG-CZ 4.01Å; L243-L306 HydrophobicContact CB-CD1 4.11Å; L243-L306 HydrophobicContact CD2-CD1 3.7Å; L243-L306 WeakPolarHBondContact O-CD1 3.36Å
244H98.2Very high96.8Very high125 Ų12555 Ų5558%0.57926%0.261SS*.Hα-helixtrans-58-44.9175.6-76-55.7000111.9H240 E241 N247 S248H240-H244 PolarHBondContact O-CD2 2.91Å; H240-H244 PolarHBondContact O-N 3.48Å; E241-H244 PolarHBondContact O-N 3.19Å; H244-N247 PolarHBondContact O-N 3.37Å; H244-S248 PolarHBondContact O-N 3.36Å; H244-S248 VanDerWaalsContact O-N 3.13Å
245L97.9Very high96.8Very high9 Ų948.8 Ų48.85%0.04723%0.228CC..Hα-helixtrans-62.3-47.1176.4-177.163.5000111.2A37 W207 F219 E241 L243 N247 S248 I249A37-L245 HydrophobicContact CB-CD2 4.4Å; W207-L245 HydrophobicContact CH2-CD1 3.79Å; W207-L245 HydrophobicContact CH2-CD2 3.75Å; W207-L245 HydrophobicContact CH2-CG 4.21Å; W207-L245 HydrophobicContact CZ3-CD1 3.63Å; W207-L245 HydrophobicContact CZ3-CD2 4.34Å; W207-L245 HydrophobicContact CZ3-CG 4.31Å; F219-L245 HydrophobicContact CE2-CD2 4.05Å; F219-L245 HydrophobicContact CE2-CG 3.9Å; F219-L245 HydrophobicContact CZ-CB 4.23Å; F219-L245 HydrophobicContact CZ-CD2 3.96Å; F219-L245 HydrophobicContact CZ-CG 3.99Å; E241-L245 VanDerWaalsContact O-CB 3.22Å; E241-L245 WeakPolarHBondContact O-CB 3.13Å; E241-L245 PolarHBondContact O-N 3.41Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 3.34Å; L245-N247 PolarHBondContact O-N 2.9Å; L245-S248 PolarHBondContact O-N 3.49Å; L245-S248 PolarHBondContact O-OG 2.93Å; L245-I249 WeakPolarHBondContact O-CG1 3.36Å; L245-I249 PolarHBondContact O-N 3.46Å; L245-I249 VanDerWaalsContact O-N 3.14Å
246F98.4Very high96.6Very high0 Ų041.7 Ų41.70%020%0.199CC..Hα-helixtrans-60.1-46.5178.5-176.8-107.9000112.1F219 S242 L243 S248 I249 C250 I260 L262 F303 L306 I315F219-F246 HydrophobicContact CB-CD2 3.96Å; F219-F246 HydrophobicContact CB-CE2 3.98Å; F219-F246 HydrophobicContact CD1-CB 4.34Å; F219-F246 AromaticContact CD1-CD2 3.49Å; F219-F246 HydrophobicContact CD1-CD2 3.49Å; F219-F246 VanDerWaalsContact CD1-CD2 3.49Å; F219-F246 HydrophobicContact CD1-CE2 4.19Å; F219-F246 HydrophobicContact CD1-CG 4.31Å; F219-F246 AromaticContact CD2-CD2 3.83Å; F219-F246 HydrophobicContact CD2-CD2 3.83Å; F219-F246 HydrophobicContact CE1-CB 3.8Å; F219-F246 AromaticContact CE1-CD2 3.85Å; F219-F246 HydrophobicContact CE1-CD2 3.85Å; F219-F246 HydrophobicContact CE1-CG 4.26Å; F219-F246 HydrophobicContact CE2-CB 4.16Å; F219-F246 HydrophobicContact CE2-CD2 4.15Å; F219-F246 AromaticContact CG-CD2 3.47Å; F219-F246 HydrophobicContact CG-CD2 3.47Å; F219-F246 VanDerWaalsContact CG-CD2 3.47Å; F219-F246 HydrophobicContact CG-CE2 4.03Å; F219-F246 HydrophobicContact CZ-CB 3.69Å; F219-F246 HydrophobicContact CZ-CD2 4.16Å; F219-F246 HydrophobicContact CZ-CG 4.45Å; S242-F246 WeakPolarHBondContact O-CB 3.42Å; S242-F246 PolarHBondContact O-N 3.19Å; L243-F246 PolarHBondContact O-N 3.06Å; F246-S248 PolarHBondContact O-N 3.45Å; F246-I249 PolarHBondContact O-N 3.19Å; F246-C250 HydrophobicContact CD1-CB 4.45Å; F246-C250 HydrophobicContact CE1-CB 4.05Å; F246-C250 HydrophobicContact CE2-CB 4.29Å; F246-C250 HydrophobicContact CZ-CB 3.98Å; F246-C250 PolarHBondContact O-N 2.99Å; F246-C250 PolarHBondContact O-SG 3.01Å; F246-I260 HydrophobicContact CE2-CG2 4.22Å; F246-L262 HydrophobicContact CD2-CD1 4.43Å; F246-L262 HydrophobicContact CE2-CD1 4.18Å; F246-F303 HydrophobicContact CB-CD1 3.69Å; F246-F303 HydrophobicContact CB-CE1 3.72Å; F246-F303 HydrophobicContact CD1-CB 4.33Å; F246-F303 AromaticContact CD1-CD1 3.66Å; F246-F303 HydrophobicContact CD1-CD1 3.66Å; F246-F303 HydrophobicContact CD1-CG 4.49Å; F246-F303 HydrophobicContact CD2-CD1 4.28Å; F246-F303 HydrophobicContact CE1-CB 4.3Å; F246-F303 HydrophobicContact CE1-CD1 4.32Å; F246-F303 WeakPolarHBondContact CE1-O 3.38Å; F246-F303 AromaticContact CG-CD1 3.61Å; F246-F303 HydrophobicContact CG-CD1 3.61Å; F246-F303 HydrophobicContact CG-CE1 4.12Å; F246-L306 HydrophobicContact CD1-CB 4.2Å; F246-L306 HydrophobicContact CD1-CD1 4.01Å; F246-I315 HydrophobicContact CE1-CD1 4.15Å; F246-I315 HydrophobicContact CZ-CD1 3.62Å; F246-I315 HydrophobicContact CZ-CG2 4.15Å
247N98.2Very high96.2Very high48 Ų4846.4 Ų46.426%0.25723%0.228SC..Hα-helixtrans-53.3-43.4175.9-173.424000111.6L243 H244 L245 I249 N251 L306L243-N247 WeakPolarHBondContact O-CB 3.4Å; L243-N247 PolarHBondContact O-N 3.48Å; H244-N247 PolarHBondContact O-N 3.37Å; L245-N247 PolarHBondContact O-N 2.9Å; N247-I249 VanDerWaalsContact C-N 3.33Å; N247-I249 PolarHBondContact O-N 2.92Å; N247-N251 WeakPolarHBondContact O-CB 3.3Å; N247-N251 PolarHBondContact O-N 3.41Å; N247-N251 PolarHBondContact O-ND2 3.39Å; N247-N251 VanDerWaalsContact O-ND2 3.1Å; N247-N251 PolarHBondContact OD1-ND2 2.95Å; N247-L306 HydrophobicContact CB-CB 4.26Å; N247-L306 HydrophobicContact CB-CD1 4.09Å; N247-L306 HydrophobicContact CB-CD2 4.12Å; N247-L306 HydrophobicContact CB-CG 4.38Å
248S96.7Very high95.9Very high63 Ų6345.7 Ų45.744%0.44123%0.225SC..Hα-helixtrans-65.6-34.8178.578.20000113.1H244 L245 F246 H252H244-S248 PolarHBondContact O-N 3.36Å; H244-S248 VanDerWaalsContact O-N 3.13Å; L245-S248 PolarHBondContact O-N 3.49Å; L245-S248 PolarHBondContact O-OG 2.93Å; F246-S248 PolarHBondContact O-N 3.45Å; S248-H252 WeakPolarHBondContact O-CB 3.45Å; S248-H252 PolarHBondContact O-N 2.57Å
249I96.4Very high95.7Very high6 Ų645.2 Ų45.23%0.03123%0.226CC..Hα-helixtrans-81.3-51.5-177.9-65.7-54.7000111.3L35 W207 F211 I217 F219 L245 F246 N247 N251 H252 F255L35-I249 HydrophobicContact CD1-CD1 3.83Å; L35-I249 HydrophobicContact CD1-CG1 4.06Å; L35-I249 HydrophobicContact CD1-CG2 3.71Å; W207-I249 HydrophobicContact CE3-CD1 4.23Å; W207-I249 HydrophobicContact CZ3-CD1 4.1Å; W207-I249 HydrophobicContact CZ3-CG1 4.44Å; F211-I249 HydrophobicContact CZ-CD1 4.32Å; I217-I249 HydrophobicContact CD1-CG2 4.17Å; I217-I249 HydrophobicContact CG2-CG2 4.36Å; F219-I249 HydrophobicContact CD2-CG2 4.48Å; F219-I249 HydrophobicContact CE2-CG1 4.29Å; L245-I249 WeakPolarHBondContact O-CG1 3.36Å; L245-I249 PolarHBondContact O-N 3.46Å; L245-I249 VanDerWaalsContact O-N 3.14Å; F246-I249 PolarHBondContact O-N 3.19Å; N247-I249 VanDerWaalsContact C-N 3.33Å; N247-I249 PolarHBondContact O-N 2.92Å; I249-N251 PolarHBondContact O-N 3.38Å; I249-H252 WeakPolarHBondContact O-CB 3.42Å; I249-H252 PolarHBondContact O-N 2.8Å; I249-H252 VanDerWaalsContact O-N 3.07Å; I249-F255 HydrophobicContact CD1-CE2 4.3Å; I249-F255 HydrophobicContact CG2-CD2 4.1Å; I249-F255 HydrophobicContact CG2-CE2 4.15Å
250C96.5Very high95.5Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-64.7-28.1-172.468.80000112.8F246 I260 K313 I315F246-C250 HydrophobicContact CD1-CB 4.45Å; F246-C250 HydrophobicContact CE1-CB 4.05Å; F246-C250 HydrophobicContact CE2-CB 4.29Å; F246-C250 HydrophobicContact CZ-CB 3.98Å; F246-C250 PolarHBondContact O-N 2.99Å; F246-C250 PolarHBondContact O-SG 3.01Å; C250-I260 HydrophobicContact CB-CD1 4.01Å; C250-K313 PolarHBondContact O-NZ 2.97Å; C250-K313 VanDerWaalsContact O-NZ 3.13Å; C250-I315 HydrophobicContact CB-CD1 3.91Å
251N96.1Very high95.5Very high27 Ų2742 Ų4214%0.14421%0.211CC..THydrogen-bonded Turntrans-98.7-0.1178.2-60.5-50.9000114N247 I249 L306 M308 R309N247-N251 WeakPolarHBondContact O-CB 3.3Å; N247-N251 PolarHBondContact O-N 3.41Å; N247-N251 PolarHBondContact O-ND2 3.39Å; N247-N251 VanDerWaalsContact O-ND2 3.1Å; N247-N251 PolarHBondContact OD1-ND2 2.95Å; I249-N251 PolarHBondContact O-N 3.38Å; N251-L306 PolarHBondContact ND2-O 3.4Å; N251-M308 HydrophobicContact CB-SD 4.42Å; N251-M308 WeakPolarHBondContact OD1-CB 3.01Å; N251-M308 WeakPolarHBondContact OD1-CG 3.24Å; N251-M308 PolarHBondContact OD1-N 3.23Å; N251-R309 PolarHBondContact O-NH2 3.47Å
252H94.6Very high95.5Very high58 Ų5841.3 Ų41.327%0.26921%0.208SC..  trans-64.5137.9-177.8-161.8-110.1000112.1F211 S248 I249 Y254 F255 A256F211-H252 AromaticContact CD2-CE1 3.8Å; F211-H252 AromaticContact CE2-CE1 3.61Å; F211-H252 AromaticContact CE2-ND1 3.82Å; S248-H252 WeakPolarHBondContact O-CB 3.45Å; S248-H252 PolarHBondContact O-N 2.57Å; I249-H252 WeakPolarHBondContact O-CB 3.42Å; I249-H252 PolarHBondContact O-N 2.8Å; I249-H252 VanDerWaalsContact O-N 3.07Å; H252-Y254 VanDerWaalsContact C-N 3.3Å; H252-Y254 AromaticContact CE1-CD2 3.24Å; H252-Y254 WeakPolarHBondContact CE1-CD2 3.47Å; H252-Y254 AromaticContact CE1-CG 3.97Å; H252-Y254 AromaticContact ND1-CD2 3.67Å; H252-Y254 PolarHBondContact ND1-N 3.04Å; H252-Y254 PolarHBondContact O-N 3.28Å; H252-F255 HydrophobicContact CB-CD2 3.77Å; H252-F255 HydrophobicContact CB-CE2 4.45Å; H252-F255 HydrophobicContact CB-CG 4.49Å; H252-F255 CarbonylContact O-C 3.56Å; H252-F255 PolarHBondContact O-N 3.01Å; H252-A256 PolarHBondContact O-N 2.94Å
253R93Very high95.5Very high191 Ų19141.2 Ų41.272%0.72121%0.207SC*.G310 helixtrans-60.8-33.2-177.168.4179.5176.6-174.5-2.6114.5F255 A256R253-F255 PolarHBondContact O-N 3.46Å; R253-A256 WeakPolarHBondContact O-CB 3.4Å; R253-A256 PolarHBondContact O-N 3.47Å
254Y92.8Very high95.5Very high124 Ų12440.5 Ų40.549%0.48620%0.203SC..G310 helixtrans-68.6-18.4177.5-76.8-97.3000112.5I208 F211 H252I208-Y254 HydrophobicContact CD1-CE2 4.31Å; F211-Y254 HydrophobicContact CB-CD1 4.48Å; F211-Y254 HydrophobicContact CD2-CG 4.42Å; H252-Y254 VanDerWaalsContact C-N 3.3Å; H252-Y254 AromaticContact CE1-CD2 3.24Å; H252-Y254 WeakPolarHBondContact CE1-CD2 3.47Å; H252-Y254 AromaticContact CE1-CG 3.97Å; H252-Y254 AromaticContact ND1-CD2 3.67Å; H252-Y254 PolarHBondContact ND1-N 3.04Å; H252-Y254 PolarHBondContact O-N 3.28Å
255F93.8Very high95.6Very high0 Ų034.7 Ų34.70%018%0.176CC..G310 helixtrans-112.325.2-178.1-53.2-41.9000111.9L33 L35 F211 V214 I217 I249 H252 R253 T257 T258 K313L33-F255 HydrophobicContact CD2-CE1 4.47Å; L33-F255 HydrophobicContact CD2-CZ 4.03Å; L35-F255 HydrophobicContact CD1-CE2 4.33Å; F211-F255 HydrophobicContact CB-CE1 4.11Å; F211-F255 HydrophobicContact CB-CZ 4.17Å; F211-F255 HydrophobicContact CD1-CE1 4.09Å; F211-F255 HydrophobicContact CD1-CE2 4.26Å; F211-F255 AromaticContact CD1-CZ 3.36Å; F211-F255 HydrophobicContact CD1-CZ 3.36Å; F211-F255 HydrophobicContact CD2-CE1 4.2Å; F211-F255 HydrophobicContact CD2-CE2 4.01Å; F211-F255 AromaticContact CD2-CZ 3.59Å; F211-F255 HydrophobicContact CD2-CZ 3.59Å; F211-F255 AromaticContact CE1-CE2 3.93Å; F211-F255 HydrophobicContact CE1-CE2 3.93Å; F211-F255 AromaticContact CE1-CZ 3.44Å; F211-F255 HydrophobicContact CE1-CZ 3.44Å; F211-F255 VanDerWaalsContact CE1-CZ 3.44Å; F211-F255 AromaticContact CE2-CE2 3.69Å; F211-F255 HydrophobicContact CE2-CE2 3.69Å; F211-F255 AromaticContact CE2-CZ 3.68Å; F211-F255 HydrophobicContact CE2-CZ 3.68Å; F211-F255 AromaticContact CG-CE1 3.89Å; F211-F255 HydrophobicContact CG-CE1 3.89Å; F211-F255 HydrophobicContact CG-CE2 4.29Å; F211-F255 AromaticContact CG-CZ 3.43Å; F211-F255 HydrophobicContact CG-CZ 3.43Å; F211-F255 VanDerWaalsContact CG-CZ 3.43Å; F211-F255 AromaticContact CZ-CE2 3.63Å; F211-F255 HydrophobicContact CZ-CE2 3.63Å; F211-F255 AromaticContact CZ-CZ 3.6Å; F211-F255 HydrophobicContact CZ-CZ 3.6Å; V214-F255 HydrophobicContact CG2-CE1 4.34Å; I217-F255 HydrophobicContact CD1-CB 3.96Å; I217-F255 HydrophobicContact CD1-CD1 3.53Å; I217-F255 HydrophobicContact CD1-CD2 3.43Å; I217-F255 VanDerWaalsContact CD1-CD2 3.43Å; I217-F255 HydrophobicContact CD1-CE1 3.7Å; I217-F255 HydrophobicContact CD1-CE2 3.61Å; I217-F255 HydrophobicContact CD1-CG 3.37Å; I217-F255 HydrophobicContact CD1-CZ 3.7Å; I217-F255 HydrophobicContact CG1-CE1 4.49Å; I249-F255 HydrophobicContact CD1-CE2 4.3Å; I249-F255 HydrophobicContact CG2-CD2 4.1Å; I249-F255 HydrophobicContact CG2-CE2 4.15Å; H252-F255 HydrophobicContact CB-CD2 3.77Å; H252-F255 HydrophobicContact CB-CE2 4.45Å; H252-F255 HydrophobicContact CB-CG 4.49Å; H252-F255 CarbonylContact O-C 3.56Å; H252-F255 PolarHBondContact O-N 3.01Å; R253-F255 PolarHBondContact O-N 3.46Å; F255-T257 VanDerWaalsContact C-N 3.29Å; F255-T257 PolarHBondContact O-N 3.11Å; F255-T258 HydrophobicContact CD1-CG2 4.48Å; F255-K313 PolarHBondContact O-NZ 3.3Å
256A90.6Very high95.6Very high28 Ų2835.5 Ų35.523%0.23118%0.179CC..SBendtrans-56.7-44.7-178.900000111.9H252 R253H252-A256 PolarHBondContact O-N 2.94Å; R253-A256 WeakPolarHBondContact O-CB 3.4Å; R253-A256 PolarHBondContact O-N 3.47Å
257T88.5Confident95.6Very high135 Ų13538.1 Ų38.183%0.82819%0.191SC*.SBendtrans-106.5-6.8-17956.20000113.1F255F255-T257 VanDerWaalsContact C-N 3.29Å; F255-T257 PolarHBondContact O-N 3.11Å
258T92.3Very high95.5Very high12 Ų1238.4 Ų38.47%0.07419%0.192CC..SBendtrans-73.9129.5179.4-53.70000110.8V214 I217 F255 I260 K313V214-T258 HydrophobicContact CB-CG2 4.16Å; V214-T258 HydrophobicContact CG1-CG2 3.77Å; V214-T258 WeakPolarHBondContact O-CG2 3.23Å; I217-T258 HydrophobicContact CD1-CG2 4.11Å; I217-T258 HydrophobicContact CG1-CG2 3.91Å; F255-T258 HydrophobicContact CD1-CG2 4.48Å; T258-I260 WeakPolarHBondContact O-CG1 3.41Å; T258-K313 VanDerWaalsContact O-CD 3.26Å; T258-K313 WeakPolarHBondContact O-CD 3.29Å
259S93.1Very high95.5Very high17 Ų1737 Ų3712%0.11918%0.181CC..EExtended strand (participates in β ladder)trans-65.1140.7176.1-43.70000111.3C216 I217 E342C216-S259 WeakPolarHBondContact CA-O 3.28Å; I217-S259 PolarHBondContact N-O 3.37Å; S259-E342 WeakPolarHBondContact CB-OE2 3.48Å; S259-E342 VanDerWaalsContact OG-CD 3.26Å; S259-E342 PolarHBondContact OG-OE2 3.09Å
260I95.8Very high95.6Very high1 Ų136.8 Ų36.81%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-128.7127.2-176.8-54.3-174.1000109.6I217 F246 C250 T258 K313 I315 Y316I217-I260 HydrophobicContact CB-CG1 4.28Å; I217-I260 HydrophobicContact CD1-CD1 4.44Å; I217-I260 HydrophobicContact CD1-CG1 4.4Å; I217-I260 WeakPolarHBondContact O-CA 3.11Å; F246-I260 HydrophobicContact CE2-CG2 4.22Å; C250-I260 HydrophobicContact CB-CD1 4.01Å; T258-I260 WeakPolarHBondContact O-CG1 3.41Å; I260-K313 VanDerWaalsContact CD1-NZ 3.33Å; I260-K313 HydrophobicContact CG1-CD 4.48Å; I260-I315 HydrophobicContact CB-CG1 4.36Å; I260-I315 HydrophobicContact CG2-CG2 4.38Å; I260-Y316 PolarHBondContact O-N 3.16Å
261V97.4Very high95.7Very high2 Ų241 Ų411%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-113.5131.4171.1-173.10000109.2I217 I218 F219 F263 Y316 V335I217-V261 PolarHBondContact O-N 3.31Å; I218-V261 CarbonylContact C-O 3.53Å; I218-V261 WeakPolarHBondContact CA-O 3.45Å; F219-V261 PolarHBondContact N-O 3.01Å; V261-F263 HydrophobicContact CG1-CD1 3.87Å; V261-F263 HydrophobicContact CG1-CE1 3.62Å; V261-Y316 CarbonylContact C-O 3.41Å; V261-Y316 WeakPolarHBondContact CA-O 3.29Å; V261-V335 HydrophobicContact CB-CG2 4.32Å; V261-V335 HydrophobicContact CG1-CG2 3.79Å; V261-V335 HydrophobicContact CG2-CG1 4.16Å; V261-V335 HydrophobicContact CG2-CG2 4.06Å
262L98.5Very high95.7Very high0 Ų044.1 Ų44.10%021%0.212CC..EExtended strand (participates in β ladder)trans-98.4114.7176.1175.965.3000110.4F219 A221 F246 L264 F303 L304 I315 Y316 S317 H318F219-L262 HydrophobicContact CD1-CD1 3.86Å; F219-L262 CarbonylContact O-C 3.58Å; F219-L262 WeakPolarHBondContact O-CA 3.37Å; A221-L262 HydrophobicContact CB-CD1 4.44Å; F246-L262 HydrophobicContact CD2-CD1 4.43Å; F246-L262 HydrophobicContact CE2-CD1 4.18Å; L262-L264 HydrophobicContact CD1-CD2 4.33Å; L262-L264 HydrophobicContact CD2-CD2 4.04Å; L262-L264 HydrophobicContact CD2-CG 4.17Å; L262-L264 HydrophobicContact CG-CD2 4.16Å; L262-L264 HydrophobicContact CG-CG 4.14Å; L262-F303 HydrophobicContact CD1-CD1 4.12Å; L262-F303 HydrophobicContact CD1-CG 4.32Å; L262-F303 HydrophobicContact CD2-CB 3.43Å; L262-F303 VanDerWaalsContact CD2-CB 3.43Å; L262-F303 HydrophobicContact CD2-CD1 4.43Å; L262-F303 HydrophobicContact CD2-CD2 4.5Å; L262-F303 HydrophobicContact CD2-CG 3.9Å; L262-L304 HydrophobicContact CD2-CD2 4.5Å; L262-I315 HydrophobicContact CB-CG2 4.1Å; L262-Y316 PolarHBondContact N-O 2.93Å; L262-S317 CarbonylContact O-C 3.57Å; L262-S317 VanDerWaalsContact O-CA 3.26Å; L262-S317 WeakPolarHBondContact O-CA 3.44Å; L262-H318 PolarHBondContact O-N 3.41Å
263F98.8Very high95.7Very high4 Ų443 Ų432%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-94.1111.2168-74.77.3000109.5I45 I218 F219 I220 A221 V261 N265 H318 T320 V331 V335I45-F263 HydrophobicContact CD1-CD2 4.42Å; I45-F263 HydrophobicContact CD1-CE2 4.36Å; I45-F263 HydrophobicContact CG1-CD2 4.48Å; I218-F263 HydrophobicContact CD1-CZ 4.39Å; I218-F263 HydrophobicContact CG2-CD1 4.04Å; I218-F263 HydrophobicContact CG2-CD2 3.56Å; I218-F263 HydrophobicContact CG2-CE1 4.08Å; I218-F263 HydrophobicContact CG2-CE2 3.62Å; I218-F263 HydrophobicContact CG2-CG 3.77Å; I218-F263 HydrophobicContact CG2-CZ 3.87Å; F219-F263 PolarHBondContact O-N 2.86Å; I220-F263 WeakPolarHBondContact CA-O 3.49Å; I220-F263 HydrophobicContact CB-CB 4.42Å; I220-F263 HydrophobicContact CD1-CD2 4.49Å; I220-F263 HydrophobicContact CG1-CB 4.15Å; I220-F263 HydrophobicContact CG1-CD2 4.35Å; I220-F263 HydrophobicContact CG2-CB 4.17Å; A221-F263 PolarHBondContact N-O 2.77Å; V261-F263 HydrophobicContact CG1-CD1 3.87Å; V261-F263 HydrophobicContact CG1-CE1 3.62Å; F263-N265 PolarHBondContact O-N 3.46Å; F263-H318 HydrophobicContact CD1-CB 4.32Å; F263-T320 HydrophobicContact CB-CG2 4.2Å; F263-T320 HydrophobicContact CD1-CG2 4.19Å; F263-T320 HydrophobicContact CD2-CG2 4.05Å; F263-T320 HydrophobicContact CG-CG2 3.89Å; F263-V331 HydrophobicContact CD1-CG1 4.13Å; F263-V331 HydrophobicContact CE1-CG1 3.34Å; F263-V331 HydrophobicContact CE2-CG1 4.29Å; F263-V331 HydrophobicContact CZ-CG1 3.45Å; F263-V331 VanDerWaalsContact CZ-CG1 3.45Å; F263-V335 HydrophobicContact CE1-CG2 3.85Å; F263-V335 HydrophobicContact CZ-CG2 4.04Å
264L98.8Very high96Very high1 Ų134 Ų341%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-8788.5169.1-66.2172.8000107.6A221 L223 L262 I299 K300 F303 H318 M319 T320A221-L264 HydrophobicContact CB-CD2 4.33Å; A221-L264 CarbonylContact O-C 3.28Å; L223-L264 HydrophobicContact CD1-CB 3.96Å; L223-L264 HydrophobicContact CD2-CB 4Å; L223-L264 HydrophobicContact CD2-CD2 4.12Å; L223-L264 HydrophobicContact CD2-CG 4.45Å; L223-L264 HydrophobicContact CG-CB 3.9Å; L262-L264 HydrophobicContact CD1-CD2 4.33Å; L262-L264 HydrophobicContact CD2-CD2 4.04Å; L262-L264 HydrophobicContact CD2-CG 4.17Å; L262-L264 HydrophobicContact CG-CD2 4.16Å; L262-L264 HydrophobicContact CG-CG 4.14Å; L264-I299 HydrophobicContact CD2-CG2 4.39Å; L264-K300 HydrophobicContact CD1-CB 3.5Å; L264-K300 HydrophobicContact CD1-CG 3.97Å; L264-F303 HydrophobicContact CD2-CD2 3.92Å; L264-F303 HydrophobicContact CD2-CE2 4.13Å; L264-H318 PolarHBondContact N-O 3.17Å; L264-M319 HydrophobicContact CB-SD 3.59Å; L264-M319 VanDerWaalsContact CB-SD 3.59Å; L264-M319 HydrophobicContact CD1-CE 3.76Å; L264-M319 HydrophobicContact CD1-SD 3.69Å; L264-M319 HydrophobicContact CG-SD 4.3Å; L264-M319 WeakPolarHBondContact O-CA 3.16Å; L264-T320 PolarHBondContact O-N 2.83Å; L264-T320 PolarHBondContact O-OG1 3.26Å
265N98.7Very high96.1Very high2 Ų233.8 Ų33.81%0.01117%0.174CC..EExtended strand (participates in β ladder)trans-90.8168.8-167.6-169.134000113.2S40 I220 A221 L223 F263 K267 T320 A322S40-N265 PolarHBondContact O-ND2 3.17Å; I220-N265 HydrophobicContact CG2-CB 3.65Å; A221-N265 PolarHBondContact O-N 3.01Å; L223-N265 WeakPolarHBondContact CB-O 3.32Å; L223-N265 PolarHBondContact N-O 3.38Å; F263-N265 PolarHBondContact O-N 3.46Å; N265-K267 VanDerWaalsContact C-N 3.28Å; N265-K267 PolarHBondContact O-N 3.28Å; N265-T320 CarbonylContact C-O 3.59Å; N265-T320 VanDerWaalsContact CA-O 3.32Å; N265-T320 WeakPolarHBondContact CA-O 3.34Å; N265-T320 WeakPolarHBondContact CA-OG1 3.05Å; N265-T320 WeakPolarHBondContact CB-OG1 3.44Å; N265-T320 PolarHBondContact N-OG1 2.92Å; N265-T320 PolarHBondContact OD1-O 3.25Å; N265-T320 PolarHBondContact OD1-OG1 3.13Å; N265-A322 PolarHBondContact OD1-N 3.46Å
266K98.2Very high96.2Very high27 Ų2741.2 Ų41.212%0.11721%0.207CC..  trans60.138.4-176.9-51.6-175.5-175.4177.80112.1E39 D146 A222 S224 D268 V269 F270 T320E39-K266 WeakPolarHBondContact O-CE 3.34Å; E39-K266 PolarHBondContact O-NZ 3.25Å; D146-K266 VanDerWaalsContact OD2-CD 3.31Å; D146-K266 WeakPolarHBondContact OD2-CD 3.47Å; D146-K266 VanDerWaalsContact OD2-CE 3.27Å; D146-K266 WeakPolarHBondContact OD2-CE 3.3Å; D146-K266 IonicContact OD2-NZ 2.66Å; D146-K266 PolarHBondContact OD2-NZ 2.89Å; A222-K266 HydrophobicContact CB-CD 3.95Å; A222-K266 HydrophobicContact CB-CG 4.47Å; S224-K266 VanDerWaalsContact OG-CD 3.32Å; S224-K266 WeakPolarHBondContact OG-CD 3.48Å; K266-D268 VanDerWaalsContact C-OD1 3.27Å; K266-D268 WeakPolarHBondContact CA-OD1 3.44Å; K266-D268 PolarHBondContact O-N 3.21Å; K266-V269 HydrophobicContact CB-CB 4.34Å; K266-V269 HydrophobicContact CB-CG2 4.41Å; K266-V269 PolarHBondContact O-N 3Å; K266-F270 WeakPolarHBondContact O-CB 3.44Å; K266-F270 PolarHBondContact O-N 3.34Å; K266-T320 PolarHBondContact N-O 2.67Å; K266-T320 VanDerWaalsContact N-O 3.07Å
267K98.1Very high96.4Very high54 Ų5440.8 Ų40.824%0.23520%0.203CC..Hα-helixtrans-58.4-30.7177.974.3-179.5-177.7177.90112.3L223 N265 F271 Y292 M319 T320 C321 N327L223-K267 HydrophobicContact CD1-CB 4.15Å; N265-K267 VanDerWaalsContact C-N 3.28Å; N265-K267 PolarHBondContact O-N 3.28Å; K267-F271 VanDerWaalsContact O-CB 3.24Å; K267-F271 WeakPolarHBondContact O-CB 3.15Å; K267-F271 PolarHBondContact O-N 3.12Å; K267-Y292 HydrophobicContact CB-CE2 3.97Å; K267-M319 HydrophobicContact CD-CB 4.15Å; K267-T320 WeakPolarHBondContact CB-O 3.36Å; K267-T320 WeakPolarHBondContact CG-O 3.4Å; K267-T320 PolarHBondContact N-O 2.79Å; K267-T320 VanDerWaalsContact N-O 3.1Å; K267-C321 HydrophobicContact CG-CB 4.11Å; K267-N327 PolarHBondContact NZ-ND2 3.21Å
268D97.2Very high96.8Very high55 Ų5537.8 Ų37.829%0.29418%0.179SC..Hα-helixtrans-65.7-48.4175.960.6-44.6000111.9K266 F271 E272 C321K266-D268 VanDerWaalsContact C-OD1 3.27Å; K266-D268 WeakPolarHBondContact CA-OD1 3.44Å; K266-D268 PolarHBondContact O-N 3.21Å; D268-F271 WeakPolarHBondContact O-CB 3.49Å; D268-F271 PolarHBondContact O-N 3.29Å; D268-E272 PolarHBondContact O-N 3.44Å; D268-C321 VanDerWaalsContact CG-SG 3.58Å
269V97Very high97.1Very high34 Ų3437.2 Ų37.221%0.20618%0.176CC..Hα-helixtrans-68.5-40.9177.1-175.50000110.3K266 F271 E272 K273K266-V269 HydrophobicContact CB-CB 4.34Å; K266-V269 HydrophobicContact CB-CG2 4.41Å; K266-V269 PolarHBondContact O-N 3Å; V269-F271 VanDerWaalsContact C-N 3.34Å; V269-F271 PolarHBondContact O-N 3.11Å; V269-E272 PolarHBondContact O-N 2.78Å; V269-K273 HydrophobicContact CG1-CD 3.85Å; V269-K273 HydrophobicContact CG1-CG 4.32Å; V269-K273 WeakPolarHBondContact O-CG 3.19Å; V269-K273 PolarHBondContact O-N 3.01Å
270F98.1Very high97.3Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-60.3-42.6175.8177.7-110.1000112.3L223 Y226 K266 E272 K273 I274 Y292 A295 I299L223-F270 HydrophobicContact CB-CB 3.64Å; L223-F270 HydrophobicContact CB-CD1 4.19Å; L223-F270 HydrophobicContact CB-CD2 3.98Å; L223-F270 HydrophobicContact CB-CG 3.67Å; L223-F270 HydrophobicContact CD1-CD1 4.25Å; L223-F270 HydrophobicContact CD1-CG 4.49Å; L223-F270 WeakPolarHBondContact O-CD2 3.31Å; Y226-F270 AromaticContact CD1-CD2 3.84Å; Y226-F270 HydrophobicContact CD1-CD2 3.84Å; Y226-F270 AromaticContact CD1-CE2 3.82Å; Y226-F270 HydrophobicContact CD1-CE2 3.82Å; Y226-F270 AromaticContact CE1-CD2 3.81Å; Y226-F270 HydrophobicContact CE1-CD2 3.81Å; Y226-F270 AromaticContact CE1-CE2 3.83Å; Y226-F270 HydrophobicContact CE1-CE2 3.83Å; K266-F270 WeakPolarHBondContact O-CB 3.44Å; K266-F270 PolarHBondContact O-N 3.34Å; F270-E272 PolarHBondContact O-N 3.42Å; F270-K273 PolarHBondContact O-N 3.35Å; F270-I274 HydrophobicContact CE2-CB 4.23Å; F270-I274 HydrophobicContact CE2-CD1 3.9Å; F270-I274 HydrophobicContact CE2-CG1 4.32Å; F270-I274 HydrophobicContact CZ-CB 4.18Å; F270-I274 HydrophobicContact CZ-CD1 3.91Å; F270-I274 HydrophobicContact CZ-CG1 4.03Å; F270-I274 WeakPolarHBondContact O-CB 3.48Å; F270-I274 WeakPolarHBondContact O-CG2 3.24Å; F270-I274 PolarHBondContact O-N 2.69Å; F270-Y292 AromaticContact CD1-CD2 3.62Å; F270-Y292 HydrophobicContact CD1-CD2 3.62Å; F270-Y292 AromaticContact CD1-CE2 3.9Å; F270-Y292 HydrophobicContact CD1-CE2 3.9Å; F270-Y292 AromaticContact CE1-CD2 3.98Å; F270-Y292 HydrophobicContact CE1-CD2 3.98Å; F270-Y292 HydrophobicContact CE1-CE2 4.47Å; F270-A295 HydrophobicContact CE1-CB 4.46Å; F270-A295 HydrophobicContact CZ-CB 3.78Å; F270-I299 HydrophobicContact CE2-CD1 3.9Å; F270-I299 HydrophobicContact CZ-CD1 3.99Å
271F98Very high97.3Very high89 Ų8943.4 Ų43.439%0.3921%0.21SC..Hα-helixtrans-55.8-37178.2179.9-98.2000112.7K267 D268 V269 K275 Y292K267-F271 VanDerWaalsContact O-CB 3.24Å; K267-F271 WeakPolarHBondContact O-CB 3.15Å; K267-F271 PolarHBondContact O-N 3.12Å; D268-F271 WeakPolarHBondContact O-CB 3.49Å; D268-F271 PolarHBondContact O-N 3.29Å; V269-F271 VanDerWaalsContact C-N 3.34Å; V269-F271 PolarHBondContact O-N 3.11Å; F271-K275 VanDerWaalsContact O-CE 3.25Å; F271-K275 WeakPolarHBondContact O-CE 3.4Å; F271-Y292 HydrophobicContact CB-CD2 3.91Å; F271-Y292 HydrophobicContact CB-CE2 4.41Å; F271-Y292 HydrophobicContact CD2-CD1 4.33Å; F271-Y292 AromaticContact CD2-CD2 3.87Å; F271-Y292 HydrophobicContact CD2-CD2 3.87Å; F271-Y292 AromaticContact CD2-CG 3.68Å; F271-Y292 HydrophobicContact CD2-CG 3.68Å; F271-Y292 HydrophobicContact CE2-CG 4.46Å; F271-Y292 HydrophobicContact CG-CD2 4.41Å
272E95.7Very high97.4Very high93 Ų9343.4 Ų43.444%0.43521%0.21SC..Hα-helixtrans-81.5-39.1175.9-65.6-53.2140.500113.2D268 V269 F270 K275D268-E272 PolarHBondContact O-N 3.44Å; V269-E272 PolarHBondContact O-N 2.78Å; F270-E272 PolarHBondContact O-N 3.42Å; E272-K275 PolarHBondContact O-N 2.92Å; E272-K275 IonicContact OE1-NZ 3.85Å; E272-K275 PolarHBondContact OE1-NZ 3.33Å; E272-K275 IonicContact OE2-NZ 2.77Å; E272-K275 PolarHBondContact OE2-NZ 3.2Å
273K96.5Very high97.3Very high35 Ų3543.9 Ų43.915%0.15221%0.212CC..Hα-helixtrans-68.2-39.5-177.9-71.8-177.569.5173.50112.8S224 Y226 D227 V269 F270 K275 K276 A277S224-K273 PolarHBondContact O-NZ 2.96Å; Y226-K273 HydrophobicContact CE1-CB 4.11Å; Y226-K273 VanDerWaalsContact OH-C 3.3Å; Y226-K273 PolarHBondContact OH-O 2.75Å; D227-K273 VanDerWaalsContact CG-NZ 3.31Å; D227-K273 WeakPolarHBondContact OD1-CE 3.38Å; D227-K273 IonicContact OD1-NZ 3.92Å; D227-K273 PolarHBondContact OD1-NZ 3.04Å; D227-K273 WeakPolarHBondContact OD2-CE 3.29Å; D227-K273 IonicContact OD2-NZ 3.82Å; D227-K273 PolarHBondContact OD2-NZ 3.24Å; V269-K273 HydrophobicContact CG1-CD 3.85Å; V269-K273 HydrophobicContact CG1-CG 4.32Å; V269-K273 WeakPolarHBondContact O-CG 3.19Å; V269-K273 PolarHBondContact O-N 3.01Å; F270-K273 PolarHBondContact O-N 3.35Å; K273-K275 PolarHBondContact O-N 3.33Å; K273-K275 VanDerWaalsContact O-N 3.14Å; K273-K276 PolarHBondContact O-N 3.1Å; K273-A277 PolarHBondContact O-N 3.44Å
274I97.6Very high97.3Very high2 Ų248.6 Ų48.61%0.0124%0.243CC..THydrogen-bonded Turntrans-61.1-27.9-178.5-160.263.5000111.8Y226 F270 K276 L279 N290 A295Y226-I274 HydrophobicContact CE2-CD1 4.38Å; Y226-I274 WeakPolarHBondContact OH-CA 3.49Å; Y226-I274 PolarHBondContact OH-N 2.76Å; F270-I274 HydrophobicContact CE2-CB 4.23Å; F270-I274 HydrophobicContact CE2-CD1 3.9Å; F270-I274 HydrophobicContact CE2-CG1 4.32Å; F270-I274 HydrophobicContact CZ-CB 4.18Å; F270-I274 HydrophobicContact CZ-CD1 3.91Å; F270-I274 HydrophobicContact CZ-CG1 4.03Å; F270-I274 WeakPolarHBondContact O-CB 3.48Å; F270-I274 WeakPolarHBondContact O-CG2 3.24Å; F270-I274 PolarHBondContact O-N 2.69Å; I274-K276 PolarHBondContact O-N 3.29Å; I274-L279 HydrophobicContact CD1-CB 4.17Å; I274-N290 WeakPolarHBondContact CD1-OD1 3.44Å; I274-N290 PolarHBondContact O-ND2 2.91Å; I274-A295 HydrophobicContact CD1-CB 3.71Å; I274-A295 HydrophobicContact CG1-CB 3.87Å
275K96.1Very high97.1Very high118 Ų11855.6 Ų55.651%0.51328%0.281SS..THydrogen-bonded Turntrans-66.5-21.7174.8-59171.5-167.2162.20113.6F271 E272 K273F271-K275 VanDerWaalsContact O-CE 3.25Å; F271-K275 WeakPolarHBondContact O-CE 3.4Å; E272-K275 PolarHBondContact O-N 2.92Å; E272-K275 IonicContact OE1-NZ 3.85Å; E272-K275 PolarHBondContact OE1-NZ 3.33Å; E272-K275 IonicContact OE2-NZ 2.77Å; E272-K275 PolarHBondContact OE2-NZ 3.2Å; K273-K275 PolarHBondContact O-N 3.33Å; K273-K275 VanDerWaalsContact O-N 3.14Å
276K94.9Very high97.1Very high157 Ų15756.3 Ų56.368%0.68328%0.283SS*.THydrogen-bonded Turntrans-107.2-36.1-171.9-58.6-177.2-178.3-174.30113K273 I274K273-K276 PolarHBondContact O-N 3.1Å; I274-K276 PolarHBondContact O-N 3.29Å
277A95.6Very high97Very high19 Ų1962.7 Ų62.716%0.15732%0.319CS..SBendtrans-126.3126.1-174.800000110.6Y226 K273 I281 N290Y226-A277 HydrophobicContact CE2-CB 4.41Å; Y226-A277 PolarHBondContact OH-O 2.76Å; K273-A277 PolarHBondContact O-N 3.44Å; A277-I281 HydrophobicContact CB-CD1 3.94Å; A277-N290 PolarHBondContact O-ND2 3.41Å
278H97.3Very high96.8Very high71 Ų7161 Ų6133%0.32932%0.317SS..  trans-68.2140.9-177.7-160.7-94000112.2S280 I281 Y286 N290H278-S280 VanDerWaalsContact ND1-CB 3.29Å; H278-S280 WeakPolarHBondContact ND1-CB 3.43Å; H278-S280 PolarHBondContact ND1-N 3.32Å; H278-S280 VanDerWaalsContact ND1-N 3.17Å; H278-S280 PolarHBondContact ND1-OG 3.38Å; H278-S280 PolarHBondContact O-N 3.5Å; H278-S280 VanDerWaalsContact O-N 3.07Å; H278-I281 WeakPolarHBondContact O-CG1 3.39Å; H278-I281 PolarHBondContact O-N 3.19Å; H278-I281 VanDerWaalsContact O-N 3.16Å; H278-Y286 AromaticContact CE1-CD1 3.89Å; H278-N290 WeakPolarHBondContact CA-ND2 3.43Å; H278-N290 WeakPolarHBondContact CA-OD1 3.37Å; H278-N290 VanDerWaalsContact CD2-CB 3.48Å; H278-N290 WeakPolarHBondContact CD2-CB 3.36Å; H278-N290 VanDerWaalsContact CD2-CG 3.42Å
279L98.2Very high96.8Very high0 Ų062 Ų620%033%0.326CS..G310 helixtrans-57.5-25.7178.6-174.464.1000112.7Y226 I274 I281 C282 F283 Y286 N290 A295 Y298 I299Y226-L279 HydrophobicContact CD2-CD1 4.02Å; Y226-L279 HydrophobicContact CG-CD1 4.26Å; I274-L279 HydrophobicContact CD1-CB 4.17Å; L279-I281 PolarHBondContact O-N 3.2Å; L279-I281 VanDerWaalsContact O-N 3.09Å; L279-C282 PolarHBondContact O-N 2.93Å; L279-F283 HydrophobicContact CD1-CD2 3.69Å; L279-F283 HydrophobicContact CD1-CE2 4Å; L279-F283 HydrophobicContact CD2-CD2 4.25Å; L279-F283 HydrophobicContact CG-CD2 3.8Å; L279-F283 PolarHBondContact O-N 2.95Å; L279-Y286 HydrophobicContact CB-CD1 3.69Å; L279-Y286 HydrophobicContact CB-CE1 3.92Å; L279-Y286 HydrophobicContact CB-CG 4.4Å; L279-Y286 HydrophobicContact CD2-CD1 3.78Å; L279-Y286 HydrophobicContact CD2-CD2 3.96Å; L279-Y286 HydrophobicContact CD2-CE1 3.87Å; L279-Y286 HydrophobicContact CD2-CE2 4.06Å; L279-Y286 HydrophobicContact CD2-CG 3.79Å; L279-Y286 HydrophobicContact CG-CD1 4.1Å; L279-Y286 HydrophobicContact CG-CE1 4.45Å; L279-Y286 HydrophobicContact CG-CG 4.33Å; L279-N290 PolarHBondContact N-OD1 3.11Å; L279-A295 HydrophobicContact CB-CB 4.37Å; L279-A295 HydrophobicContact CD2-CB 3.84Å; L279-Y298 HydrophobicContact CD2-CD1 3.74Å; L279-Y298 HydrophobicContact CD2-CG 4.21Å; L279-I299 HydrophobicContact CD1-CD1 3.84Å; L279-I299 HydrophobicContact CD1-CG1 4.03Å; L279-I299 HydrophobicContact CD2-CG1 4.46Å
280S97.7Very high96.7Very high44 Ų4462.4 Ų62.431%0.30833%0.327SS..G310 helixtrans-62.2-15.2179.463.90000115.1H278 C282 F283 P284H278-S280 VanDerWaalsContact ND1-CB 3.29Å; H278-S280 WeakPolarHBondContact ND1-CB 3.43Å; H278-S280 PolarHBondContact ND1-N 3.32Å; H278-S280 VanDerWaalsContact ND1-N 3.17Å; H278-S280 PolarHBondContact ND1-OG 3.38Å; H278-S280 PolarHBondContact O-N 3.5Å; H278-S280 VanDerWaalsContact O-N 3.07Å; S280-C282 PolarHBondContact O-N 2.67Å; S280-F283 VanDerWaalsContact CA-O 3.29Å; S280-F283 WeakPolarHBondContact CA-O 3.44Å; S280-F283 CarbonylContact O-C 3.59Å; S280-P284 WeakPolarHBondContact O-CA 3.09Å
281I96.1Very high96.7Very high105 Ų10564.9 Ų64.954%0.53834%0.342SS..G310 helixtrans-59.3-38.4168.7-65.1170.4000110.7A277 H278 L279A277-I281 HydrophobicContact CB-CD1 3.94Å; H278-I281 WeakPolarHBondContact O-CG1 3.39Å; H278-I281 PolarHBondContact O-N 3.19Å; H278-I281 VanDerWaalsContact O-N 3.16Å; L279-I281 PolarHBondContact O-N 3.2Å; L279-I281 VanDerWaalsContact O-N 3.09Å
282C97.8Very high96.7Very high2 Ų262.9 Ų62.91%0.01433%0.332CS..THydrogen-bonded Turntrans-91.6-39.8177.2-169.80000112.1Y226 H240 L279 S280 P284Y226-C282 HydrophobicContact CD2-CB 4.36Å; Y226-C282 VanDerWaalsContact O-CB 3.23Å; Y226-C282 WeakPolarHBondContact O-CB 3.43Å; H240-C282 PolarHBondContact NE2-O 3.32Å; L279-C282 PolarHBondContact O-N 2.93Å; S280-C282 PolarHBondContact O-N 2.67Å; C282-P284 WeakPolarHBondContact O-CD 3.16Å
283F98.1Very high96.8Very high10 Ų1064.2 Ų64.24%0.04434%0.339CS..  trans-124.583-173.8-59.7-81.4000109.9M239 L243 L279 S280 D285 Y286 Y298 I299 Q302M239-F283 HydrophobicContact CG-CE2 4.07Å; M239-F283 HydrophobicContact CG-CZ 3.79Å; L243-F283 HydrophobicContact CD1-CE1 3.77Å; L243-F283 HydrophobicContact CD1-CZ 3.9Å; L279-F283 HydrophobicContact CD1-CD2 3.69Å; L279-F283 HydrophobicContact CD1-CE2 4Å; L279-F283 HydrophobicContact CD2-CD2 4.25Å; L279-F283 HydrophobicContact CG-CD2 3.8Å; L279-F283 PolarHBondContact O-N 2.95Å; S280-F283 VanDerWaalsContact CA-O 3.29Å; S280-F283 WeakPolarHBondContact CA-O 3.44Å; S280-F283 CarbonylContact O-C 3.59Å; F283-D285 PolarHBondContact O-N 3.22Å; F283-Y286 VanDerWaalsContact O-CB 3.24Å; F283-Y286 WeakPolarHBondContact O-CB 3.41Å; F283-Y286 PolarHBondContact O-N 3.42Å; F283-Y298 HydrophobicContact CB-CE1 3.78Å; F283-Y298 AromaticContact CD1-CE1 3.87Å; F283-Y298 HydrophobicContact CD1-CE1 3.87Å; F283-Y298 HydrophobicContact CD2-CD1 4.41Å; F283-Y298 HydrophobicContact CD2-CE1 4.15Å; F283-Y298 HydrophobicContact CE1-CE1 4.5Å; F283-Y298 HydrophobicContact CG-CD1 4.37Å; F283-Y298 AromaticContact CG-CE1 3.67Å; F283-Y298 HydrophobicContact CG-CE1 3.67Å; F283-I299 HydrophobicContact CE2-CG1 3.92Å; F283-Q302 HydrophobicContact CD1-CG 4.28Å; F283-Q302 HydrophobicContact CE1-CB 4.37Å; F283-Q302 HydrophobicContact CE1-CG 3.83Å; F283-Q302 HydrophobicContact CZ-CG 4.28Å
284P97.4Very high96.9Very high102 Ų10266 Ų6666%0.66235%0.35SS*.THydrogen-bonded Turntrans-54.5-28.3-173.4-29.236.6000114.8S280 C282 Y286S280-P284 WeakPolarHBondContact O-CA 3.09Å; C282-P284 WeakPolarHBondContact O-CD 3.16Å; P284-Y286 VanDerWaalsContact C-N 3.28Å; P284-Y286 PolarHBondContact O-N 2.88Å
285D96Very high96.9Very high149 Ų14966 Ų6680%0.79735%0.35SS*.THydrogen-bonded Turntrans-80.1-3.6178.3-58.4-37.4000113.9F283 D287F283-D285 PolarHBondContact O-N 3.22Å; D285-D287 PolarHBondContact O-N 3.49Å
286Y97.6Very high97.1Very high17 Ų1760.4 Ų60.47%0.06733%0.326CS..  trans-77.6113.5177-179-104.1000111.5H278 L279 F283 P284 G288 P289 D294 A295 Y298H278-Y286 AromaticContact CE1-CD1 3.89Å; L279-Y286 HydrophobicContact CB-CD1 3.69Å; L279-Y286 HydrophobicContact CB-CE1 3.92Å; L279-Y286 HydrophobicContact CB-CG 4.4Å; L279-Y286 HydrophobicContact CD2-CD1 3.78Å; L279-Y286 HydrophobicContact CD2-CD2 3.96Å; L279-Y286 HydrophobicContact CD2-CE1 3.87Å; L279-Y286 HydrophobicContact CD2-CE2 4.06Å; L279-Y286 HydrophobicContact CD2-CG 3.79Å; L279-Y286 HydrophobicContact CG-CD1 4.1Å; L279-Y286 HydrophobicContact CG-CE1 4.45Å; L279-Y286 HydrophobicContact CG-CG 4.33Å; F283-Y286 VanDerWaalsContact O-CB 3.24Å; F283-Y286 WeakPolarHBondContact O-CB 3.41Å; F283-Y286 PolarHBondContact O-N 3.42Å; P284-Y286 VanDerWaalsContact C-N 3.28Å; P284-Y286 PolarHBondContact O-N 2.88Å; Y286-G288 VanDerWaalsContact CE1-O 3.24Å; Y286-G288 WeakPolarHBondContact CE1-O 3.45Å; Y286-P289 PolarHBondContact OH-O 2.91Å; Y286-D294 WeakPolarHBondContact OH-CB 3.35Å; Y286-A295 PolarHBondContact OH-N 3.31Å; Y286-Y298 AromaticContact CD2-CD1 3.88Å; Y286-Y298 HydrophobicContact CD2-CD1 3.88Å; Y286-Y298 AromaticContact CD2-CD2 3.37Å; Y286-Y298 HydrophobicContact CD2-CD2 3.37Å; Y286-Y298 HydrophobicContact CD2-CE1 4.14Å; Y286-Y298 AromaticContact CD2-CE2 3.65Å; Y286-Y298 HydrophobicContact CD2-CE2 3.65Å; Y286-Y298 AromaticContact CD2-CG 3.47Å; Y286-Y298 HydrophobicContact CD2-CG 3.47Å; Y286-Y298 VanDerWaalsContact CD2-CG 3.47Å; Y286-Y298 HydrophobicContact CE2-CD1 4.39Å; Y286-Y298 AromaticContact CE2-CD2 3.7Å; Y286-Y298 HydrophobicContact CE2-CD2 3.7Å; Y286-Y298 HydrophobicContact CE2-CE2 4.41Å; Y286-Y298 AromaticContact CE2-CG 3.66Å; Y286-Y298 HydrophobicContact CE2-CG 3.66Å; Y286-Y298 HydrophobicContact CG-CG 4.49Å
287D95.2Very high97.2Very high160 Ų16057.1 Ų57.186%0.85632%0.316SS*.  trans-109.15.7179.365.7-13.7000113.6D285D285-D287 PolarHBondContact O-N 3.49Å
288G95.3Very high97.4Very high19 Ų1959 Ų5920%0.19632%0.319CS..SBendtrans-78.3172.3-177.800000114.7Y286Y286-G288 VanDerWaalsContact CE1-O 3.24Å; Y286-G288 WeakPolarHBondContact CE1-O 3.45Å
289P96.6Very high97.4Very high76 Ų7655.6 Ų55.649%0.49430%0.303SS..  trans-63.9138176.7-19.431.9000112.2Y286 T291 D294Y286-P289 PolarHBondContact OH-O 2.91Å; P289-T291 HydrophobicContact CB-CG2 4.04Å; P289-T291 PolarHBondContact O-N 3.38Å; P289-D294 HydrophobicContact CB-CB 4.39Å; P289-D294 VanDerWaalsContact O-CB 3.32Å; P289-D294 WeakPolarHBondContact O-CB 3.38Å
290N95.9Very high97.4Very high43 Ų4358.6 Ų58.623%0.2332%0.316CS..  trans-82.145.4-179.1-15447.4000113.2I274 A277 H278 L279I274-N290 WeakPolarHBondContact CD1-OD1 3.44Å; I274-N290 PolarHBondContact O-ND2 2.91Å; A277-N290 PolarHBondContact O-ND2 3.41Å; H278-N290 WeakPolarHBondContact CA-ND2 3.43Å; H278-N290 WeakPolarHBondContact CA-OD1 3.37Å; H278-N290 VanDerWaalsContact CD2-CB 3.48Å; H278-N290 WeakPolarHBondContact CD2-CB 3.36Å; H278-N290 VanDerWaalsContact CD2-CG 3.42Å; L279-N290 PolarHBondContact N-OD1 3.11Å
291T97.6Very high97.5Very high52 Ų5258.8 Ų58.832%0.31932%0.316SS..SBendtrans-90.4162.3175.974.10000110.1P289 E293 D294 A295P289-T291 HydrophobicContact CB-CG2 4.04Å; P289-T291 PolarHBondContact O-N 3.38Å; T291-E293 VanDerWaalsContact C-N 3.3Å; T291-E293 PolarHBondContact O-N 2.9Å; T291-D294 WeakPolarHBondContact OG1-CB 3.17Å; T291-D294 VanDerWaalsContact OG1-CG 3.27Å; T291-D294 PolarHBondContact OG1-N 3.04Å; T291-D294 PolarHBondContact OG1-OD2 3.19Å; T291-A295 WeakPolarHBondContact O-CB 3.33Å; T291-A295 PolarHBondContact O-N 3.4Å; T291-A295 VanDerWaalsContact O-N 3.08Å
292Y97.9Very high97.6Very high46 Ų4656.2 Ų56.218%0.1830%0.301CS..Hα-helixtrans-59.9-42.9175.6166.1-97000111.9K267 F270 F271 G296K267-Y292 HydrophobicContact CB-CE2 3.97Å; F270-Y292 AromaticContact CD1-CD2 3.62Å; F270-Y292 HydrophobicContact CD1-CD2 3.62Å; F270-Y292 AromaticContact CD1-CE2 3.9Å; F270-Y292 HydrophobicContact CD1-CE2 3.9Å; F270-Y292 AromaticContact CE1-CD2 3.98Å; F270-Y292 HydrophobicContact CE1-CD2 3.98Å; F270-Y292 HydrophobicContact CE1-CE2 4.47Å; F271-Y292 HydrophobicContact CB-CD2 3.91Å; F271-Y292 HydrophobicContact CB-CE2 4.41Å; F271-Y292 HydrophobicContact CD2-CD1 4.33Å; F271-Y292 AromaticContact CD2-CD2 3.87Å; F271-Y292 HydrophobicContact CD2-CD2 3.87Å; F271-Y292 AromaticContact CD2-CG 3.68Å; F271-Y292 HydrophobicContact CD2-CG 3.68Å; F271-Y292 HydrophobicContact CE2-CG 4.46Å; F271-Y292 HydrophobicContact CG-CD2 4.41Å; Y292-G296 WeakPolarHBondContact O-CA 3.39Å; Y292-G296 PolarHBondContact O-N 2.87Å
293E98Very high97.6Very high122 Ų12256.1 Ų56.157%0.5730%0.301SS*.Hα-helixtrans-67.3-51.5-177.2-66.873.9-164.400111.5T291 N297T291-E293 VanDerWaalsContact C-N 3.3Å; T291-E293 PolarHBondContact O-N 2.9Å; E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 PolarHBondContact O-N 3.25Å
294D98.3Very high97.6Very high73 Ų7357.7 Ų57.739%0.3931%0.309SS..Hα-helixtrans-68.7-48.6-175.7-66-63.8000111.2Y286 P289 T291 N297 Y298Y286-D294 WeakPolarHBondContact OH-CB 3.35Å; P289-D294 HydrophobicContact CB-CB 4.39Å; P289-D294 VanDerWaalsContact O-CB 3.32Å; P289-D294 WeakPolarHBondContact O-CB 3.38Å; T291-D294 WeakPolarHBondContact OG1-CB 3.17Å; T291-D294 VanDerWaalsContact OG1-CG 3.27Å; T291-D294 PolarHBondContact OG1-N 3.04Å; T291-D294 PolarHBondContact OG1-OD2 3.19Å; D294-N297 PolarHBondContact O-N 3.25Å; D294-Y298 WeakPolarHBondContact O-CB 2.93Å; D294-Y298 PolarHBondContact O-N 2.91Å
295A98.4Very high97.6Very high0 Ų057.4 Ų57.40%030%0.3CS..Hα-helixtrans-68.9-41.8-179.500000111.7F270 I274 L279 Y286 T291 Y298 I299F270-A295 HydrophobicContact CE1-CB 4.46Å; F270-A295 HydrophobicContact CZ-CB 3.78Å; I274-A295 HydrophobicContact CD1-CB 3.71Å; I274-A295 HydrophobicContact CG1-CB 3.87Å; L279-A295 HydrophobicContact CB-CB 4.37Å; L279-A295 HydrophobicContact CD2-CB 3.84Å; Y286-A295 PolarHBondContact OH-N 3.31Å; T291-A295 WeakPolarHBondContact O-CB 3.33Å; T291-A295 PolarHBondContact O-N 3.4Å; T291-A295 VanDerWaalsContact O-N 3.08Å; A295-Y298 PolarHBondContact O-N 3.46Å; A295-I299 WeakPolarHBondContact O-CG1 3.14Å; A295-I299 PolarHBondContact O-N 2.94Å
296G98.4Very high97.7Very high1 Ų152.5 Ų52.51%0.0127%0.273CS..Hα-helixtrans-62.8-42.2176.100000112Y292 I299 K300 M319Y292-G296 WeakPolarHBondContact O-CA 3.39Å; Y292-G296 PolarHBondContact O-N 2.87Å; G296-I299 PolarHBondContact O-N 2.94Å; G296-K300 WeakPolarHBondContact O-CB 3.32Å; G296-K300 PolarHBondContact O-N 3.34Å; G296-M319 WeakPolarHBondContact O-CE 3.43Å
297N98.3Very high97.6Very high88 Ų8852 Ų5247%0.47127%0.271SS..Hα-helixtrans-67.2-37.2175.6-172.158.6000112.2E293 D294 K300 V301E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 PolarHBondContact O-N 3.25Å; D294-N297 PolarHBondContact O-N 3.25Å; N297-K300 WeakPolarHBondContact O-CB 3.32Å; N297-K300 PolarHBondContact O-N 3.44Å; N297-V301 WeakPolarHBondContact O-CG2 3.36Å; N297-V301 PolarHBondContact O-N 2.89Å
298Y98.6Very high97.6Very high58 Ų5850.9 Ų50.923%0.22726%0.263CS..Hα-helixtrans-60.3-50173.8-175.7-90.3000111.6L279 F283 Y286 D294 A295 K300 V301 Q302L279-Y298 HydrophobicContact CD2-CD1 3.74Å; L279-Y298 HydrophobicContact CD2-CG 4.21Å; F283-Y298 HydrophobicContact CB-CE1 3.78Å; F283-Y298 AromaticContact CD1-CE1 3.87Å; F283-Y298 HydrophobicContact CD1-CE1 3.87Å; F283-Y298 HydrophobicContact CD2-CD1 4.41Å; F283-Y298 HydrophobicContact CD2-CE1 4.15Å; F283-Y298 HydrophobicContact CE1-CE1 4.5Å; F283-Y298 HydrophobicContact CG-CD1 4.37Å; F283-Y298 AromaticContact CG-CE1 3.67Å; F283-Y298 HydrophobicContact CG-CE1 3.67Å; Y286-Y298 AromaticContact CD2-CD1 3.88Å; Y286-Y298 HydrophobicContact CD2-CD1 3.88Å; Y286-Y298 AromaticContact CD2-CD2 3.37Å; Y286-Y298 HydrophobicContact CD2-CD2 3.37Å; Y286-Y298 HydrophobicContact CD2-CE1 4.14Å; Y286-Y298 AromaticContact CD2-CE2 3.65Å; Y286-Y298 HydrophobicContact CD2-CE2 3.65Å; Y286-Y298 AromaticContact CD2-CG 3.47Å; Y286-Y298 HydrophobicContact CD2-CG 3.47Å; Y286-Y298 VanDerWaalsContact CD2-CG 3.47Å; Y286-Y298 HydrophobicContact CE2-CD1 4.39Å; Y286-Y298 AromaticContact CE2-CD2 3.7Å; Y286-Y298 HydrophobicContact CE2-CD2 3.7Å; Y286-Y298 HydrophobicContact CE2-CE2 4.41Å; Y286-Y298 AromaticContact CE2-CG 3.66Å; Y286-Y298 HydrophobicContact CE2-CG 3.66Å; Y286-Y298 HydrophobicContact CG-CG 4.49Å; D294-Y298 WeakPolarHBondContact O-CB 2.93Å; D294-Y298 PolarHBondContact O-N 2.91Å; A295-Y298 PolarHBondContact O-N 3.46Å; Y298-K300 VanDerWaalsContact C-N 3.28Å; Y298-K300 PolarHBondContact O-N 3.07Å; Y298-V301 PolarHBondContact O-N 2.84Å; Y298-V301 VanDerWaalsContact O-N 3.1Å; Y298-Q302 HydrophobicContact CD1-CG 3.94Å; Y298-Q302 HydrophobicContact CE1-CG 3.65Å; Y298-Q302 WeakPolarHBondContact O-CG 3.13Å; Y298-Q302 PolarHBondContact O-N 3.17Å
299I98.7Very high97.4Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-57.6-44.1176.1-64.4167.8000110.6L223 M239 L264 F270 L279 F283 A295 G296 V301 Q302 F303L223-I299 HydrophobicContact CD2-CB 4.15Å; L223-I299 HydrophobicContact CD2-CD1 3.93Å; L223-I299 HydrophobicContact CD2-CG2 3.86Å; M239-I299 HydrophobicContact CE-CD1 4.25Å; M239-I299 HydrophobicContact CE-CG2 3.99Å; M239-I299 HydrophobicContact SD-CG2 3.95Å; L264-I299 HydrophobicContact CD2-CG2 4.39Å; F270-I299 HydrophobicContact CE2-CD1 3.9Å; F270-I299 HydrophobicContact CZ-CD1 3.99Å; L279-I299 HydrophobicContact CD1-CD1 3.84Å; L279-I299 HydrophobicContact CD1-CG1 4.03Å; L279-I299 HydrophobicContact CD2-CG1 4.46Å; F283-I299 HydrophobicContact CE2-CG1 3.92Å; A295-I299 WeakPolarHBondContact O-CG1 3.14Å; A295-I299 PolarHBondContact O-N 2.94Å; G296-I299 PolarHBondContact O-N 2.94Å; I299-V301 VanDerWaalsContact C-N 3.32Å; I299-V301 PolarHBondContact O-N 3.44Å; I299-Q302 WeakPolarHBondContact O-CB 3.4Å; I299-Q302 PolarHBondContact O-N 3.25Å; I299-F303 HydrophobicContact CG2-CD2 3.91Å; I299-F303 HydrophobicContact CG2-CE2 3.77Å; I299-F303 WeakPolarHBondContact O-CD2 3.44Å; I299-F303 PolarHBondContact O-N 3.11Å; I299-F303 VanDerWaalsContact O-N 3.12Å
300K98.6Very high97.1Very high63 Ų6357 Ų5727%0.27427%0.27SS..Hα-helixtrans-54.4-48.5175.5173.4178.7158.5165.90111.7L264 G296 N297 Y298 Q302 F303 L304 S317 M319L264-K300 HydrophobicContact CD1-CB 3.5Å; L264-K300 HydrophobicContact CD1-CG 3.97Å; G296-K300 WeakPolarHBondContact O-CB 3.32Å; G296-K300 PolarHBondContact O-N 3.34Å; N297-K300 WeakPolarHBondContact O-CB 3.32Å; N297-K300 PolarHBondContact O-N 3.44Å; Y298-K300 VanDerWaalsContact C-N 3.28Å; Y298-K300 PolarHBondContact O-N 3.07Å; K300-Q302 VanDerWaalsContact C-N 3.35Å; K300-F303 PolarHBondContact O-N 3Å; K300-L304 HydrophobicContact CD-CD1 4.48Å; K300-L304 HydrophobicContact CG-CD1 3.89Å; K300-L304 HydrophobicContact CG-CG 4.35Å; K300-L304 WeakPolarHBondContact O-CG 3.41Å; K300-L304 PolarHBondContact O-N 3.17Å; K300-S317 WeakPolarHBondContact CE-OG 3.25Å; K300-S317 PolarHBondContact NZ-OG 3.38Å; K300-M319 HydrophobicContact CB-CE 4.38Å
301V98Very high96.7Very high49 Ų4961.9 Ų61.930%0.29730%0.296SS..Hα-helixtrans-60.3-45.4178.2170.50000110.6N297 Y298 I299 F303 L304 E305N297-V301 WeakPolarHBondContact O-CG2 3.36Å; N297-V301 PolarHBondContact O-N 2.89Å; Y298-V301 PolarHBondContact O-N 2.84Å; Y298-V301 VanDerWaalsContact O-N 3.1Å; I299-V301 VanDerWaalsContact C-N 3.32Å; I299-V301 PolarHBondContact O-N 3.44Å; V301-F303 VanDerWaalsContact C-N 3.27Å; V301-F303 PolarHBondContact O-N 2.93Å; V301-L304 PolarHBondContact O-N 2.74Å; V301-L304 VanDerWaalsContact O-N 3.14Å; V301-E305 HydrophobicContact CG1-CG 3.92Å; V301-E305 WeakPolarHBondContact O-CB 3.46Å; V301-E305 WeakPolarHBondContact O-CG 3.33Å; V301-E305 PolarHBondContact O-N 3.43Å
302Q98.4Very high96.2Very high50 Ų5064.6 Ų64.623%0.23431%0.312CS..Hα-helixtrans-54.1-42.6177.1-66.1-61.6-53.700112.4L243 F283 Y298 I299 K300 L306L243-Q302 HydrophobicContact CD2-CB 4.05Å; F283-Q302 HydrophobicContact CD1-CG 4.28Å; F283-Q302 HydrophobicContact CE1-CB 4.37Å; F283-Q302 HydrophobicContact CE1-CG 3.83Å; F283-Q302 HydrophobicContact CZ-CG 4.28Å; Y298-Q302 HydrophobicContact CD1-CG 3.94Å; Y298-Q302 HydrophobicContact CE1-CG 3.65Å; Y298-Q302 WeakPolarHBondContact O-CG 3.13Å; Y298-Q302 PolarHBondContact O-N 3.17Å; I299-Q302 WeakPolarHBondContact O-CB 3.4Å; I299-Q302 PolarHBondContact O-N 3.25Å; K300-Q302 VanDerWaalsContact C-N 3.35Å; Q302-L306 WeakPolarHBondContact O-CG 3.38Å
303F98.7Very high95.6Very high0 Ų063.1 Ų63.10%031%0.307CS..Hα-helixtrans-68.2-50.9174.9-82.7-84.4000112.6F219 A221 M239 L243 F246 L262 L264 I299 K300 V301 E305 L306F219-F303 HydrophobicContact CE1-CE1 4.15Å; A221-F303 HydrophobicContact CB-CE1 3.98Å; A221-F303 HydrophobicContact CB-CE2 4.02Å; A221-F303 HydrophobicContact CB-CZ 3.52Å; M239-F303 HydrophobicContact SD-CE2 3.58Å; M239-F303 VanDerWaalsContact SD-CE2 3.58Å; M239-F303 HydrophobicContact SD-CZ 3.84Å; L243-F303 HydrophobicContact CD2-CB 4.46Å; L243-F303 HydrophobicContact CD2-CD1 3.82Å; L243-F303 HydrophobicContact CD2-CD2 3.76Å; L243-F303 HydrophobicContact CD2-CE1 3.85Å; L243-F303 HydrophobicContact CD2-CE2 3.79Å; L243-F303 HydrophobicContact CD2-CG 3.75Å; L243-F303 HydrophobicContact CD2-CZ 3.82Å; L243-F303 HydrophobicContact CG-CE1 4.27Å; L243-F303 HydrophobicContact CG-CE2 4.24Å; L243-F303 HydrophobicContact CG-CZ 4.01Å; F246-F303 HydrophobicContact CB-CD1 3.69Å; F246-F303 HydrophobicContact CB-CE1 3.72Å; F246-F303 HydrophobicContact CD1-CB 4.33Å; F246-F303 AromaticContact CD1-CD1 3.66Å; F246-F303 HydrophobicContact CD1-CD1 3.66Å; F246-F303 HydrophobicContact CD1-CG 4.49Å; F246-F303 HydrophobicContact CD2-CD1 4.28Å; F246-F303 HydrophobicContact CE1-CB 4.3Å; F246-F303 HydrophobicContact CE1-CD1 4.32Å; F246-F303 WeakPolarHBondContact CE1-O 3.38Å; F246-F303 AromaticContact CG-CD1 3.61Å; F246-F303 HydrophobicContact CG-CD1 3.61Å; F246-F303 HydrophobicContact CG-CE1 4.12Å; L262-F303 HydrophobicContact CD1-CD1 4.12Å; L262-F303 HydrophobicContact CD1-CG 4.32Å; L262-F303 HydrophobicContact CD2-CB 3.43Å; L262-F303 VanDerWaalsContact CD2-CB 3.43Å; L262-F303 HydrophobicContact CD2-CD1 4.43Å; L262-F303 HydrophobicContact CD2-CD2 4.5Å; L262-F303 HydrophobicContact CD2-CG 3.9Å; L264-F303 HydrophobicContact CD2-CD2 3.92Å; L264-F303 HydrophobicContact CD2-CE2 4.13Å; I299-F303 HydrophobicContact CG2-CD2 3.91Å; I299-F303 HydrophobicContact CG2-CE2 3.77Å; I299-F303 WeakPolarHBondContact O-CD2 3.44Å; I299-F303 PolarHBondContact O-N 3.11Å; I299-F303 VanDerWaalsContact O-N 3.12Å; K300-F303 PolarHBondContact O-N 3Å; V301-F303 VanDerWaalsContact C-N 3.27Å; V301-F303 PolarHBondContact O-N 2.93Å; F303-E305 PolarHBondContact O-N 3.06Å; F303-L306 WeakPolarHBondContact O-CB 3.44Å; F303-L306 PolarHBondContact O-N 3.45Å; F303-L306 VanDerWaalsContact O-N 3.11Å
304L98Very high95.3Very high43 Ų4363.2 Ų63.223%0.22531%0.307CS..Hα-helixtrans-62-28.7-176.8-67-179.8000111.9L262 K300 V301 L306 N307 I315L262-L304 HydrophobicContact CD2-CD2 4.5Å; K300-L304 HydrophobicContact CD-CD1 4.48Å; K300-L304 HydrophobicContact CG-CD1 3.89Å; K300-L304 HydrophobicContact CG-CG 4.35Å; K300-L304 WeakPolarHBondContact O-CG 3.41Å; K300-L304 PolarHBondContact O-N 3.17Å; V301-L304 PolarHBondContact O-N 2.74Å; V301-L304 VanDerWaalsContact O-N 3.14Å; L304-L306 PolarHBondContact O-N 3.08Å; L304-N307 WeakPolarHBondContact O-CB 3.48Å; L304-N307 PolarHBondContact O-N 2.81Å; L304-I315 HydrophobicContact CD2-CB 3.89Å; L304-I315 HydrophobicContact CD2-CG2 3.81Å; L304-I315 WeakPolarHBondContact CD2-O 3.4Å
305E97.1Very high95.2Very high97 Ų9760.3 Ų60.345%0.45329%0.291SS..Hα-helixtrans-69.5-22.4179.2-77.2-175.516100114.1V301 F303 N307 R310V301-E305 HydrophobicContact CG1-CG 3.92Å; V301-E305 WeakPolarHBondContact O-CB 3.46Å; V301-E305 WeakPolarHBondContact O-CG 3.33Å; V301-E305 PolarHBondContact O-N 3.43Å; F303-E305 PolarHBondContact O-N 3.06Å; E305-N307 PolarHBondContact O-N 3.45Å; E305-R310 VanDerWaalsContact C-NH2 3.32Å; E305-R310 PolarHBondContact O-NH2 3.3Å
306L97.8Very high95Very high45 Ų4563.2 Ų63.224%0.23630%0.303CS..THydrogen-bonded Turntrans-71.8-16.1176.9-62.7168.3000113.1L243 F246 N247 N251 Q302 F303 L304 M308L243-L306 HydrophobicContact CB-CD1 4.11Å; L243-L306 HydrophobicContact CD2-CD1 3.7Å; L243-L306 WeakPolarHBondContact O-CD1 3.36Å; F246-L306 HydrophobicContact CD1-CB 4.2Å; F246-L306 HydrophobicContact CD1-CD1 4.01Å; N247-L306 HydrophobicContact CB-CB 4.26Å; N247-L306 HydrophobicContact CB-CD1 4.09Å; N247-L306 HydrophobicContact CB-CD2 4.12Å; N247-L306 HydrophobicContact CB-CG 4.38Å; N251-L306 PolarHBondContact ND2-O 3.4Å; Q302-L306 WeakPolarHBondContact O-CG 3.38Å; F303-L306 WeakPolarHBondContact O-CB 3.44Å; F303-L306 PolarHBondContact O-N 3.45Å; F303-L306 VanDerWaalsContact O-N 3.11Å; L304-L306 PolarHBondContact O-N 3.08Å; L306-M308 PolarHBondContact O-N 3.36Å
307N96.9Very high95Very high7 Ų764.4 Ų64.44%0.03731%0.311CS..  trans-69.5112.5175.3-178.313.5000110.2L304 E305 R309 R310 K313 I315L304-N307 WeakPolarHBondContact O-CB 3.48Å; L304-N307 PolarHBondContact O-N 2.81Å; E305-N307 PolarHBondContact O-N 3.45Å; N307-R309 VanDerWaalsContact C-N 3.31Å; N307-R309 PolarHBondContact OD1-N 3.14Å; N307-R310 HydrophobicContact CB-CG 4.12Å; N307-R310 WeakPolarHBondContact O-CG 3.24Å; N307-R310 PolarHBondContact O-NE 2.7Å; N307-R310 VanDerWaalsContact O-NE 3.13Å; N307-K313 PolarHBondContact ND2-O 3.41Å; N307-I315 HydrophobicContact CB-CD1 3.73Å; N307-I315 HydrophobicContact CB-CG1 4.42Å
308M94.9Very high94.9Very high137 Ų13762.1 Ų62.168%0.67530%0.298SS*.SBendtrans-82.9-7.6179.8-60.2177.7-172.200113.2N251 L306N251-M308 HydrophobicContact CB-SD 4.42Å; N251-M308 WeakPolarHBondContact OD1-CB 3.01Å; N251-M308 WeakPolarHBondContact OD1-CG 3.24Å; N251-M308 PolarHBondContact OD1-N 3.23Å; L306-M308 PolarHBondContact O-N 3.36Å
309R91.3Very high94.9Very high78 Ų7861.9 Ų61.929%0.29430%0.299SS..  trans-119.640.5-174.1-52.3-177-163.3-160.64.3111.7N251 N307 D311 V312 K313N251-R309 PolarHBondContact O-NH2 3.47Å; N307-R309 VanDerWaalsContact C-N 3.31Å; N307-R309 PolarHBondContact OD1-N 3.14Å; R309-D311 VanDerWaalsContact C-OD1 3.31Å; R309-D311 PolarHBondContact O-N 3.26Å; R309-V312 HydrophobicContact CB-CB 4.35Å; R309-V312 PolarHBondContact O-N 3.49Å; R309-K313 PolarHBondContact O-N 2.74Å
310R89.2Confident94.9Very high146 Ų14661.9 Ų61.955%0.55130%0.299SS*.THydrogen-bonded Turntrans-63.2-22.6-173.5-49.7-168.8-161.9169.214.9113.3E305 N307E305-R310 VanDerWaalsContact C-NH2 3.32Å; E305-R310 PolarHBondContact O-NH2 3.3Å; N307-R310 HydrophobicContact CB-CG 4.12Å; N307-R310 WeakPolarHBondContact O-CG 3.24Å; N307-R310 PolarHBondContact O-NE 2.7Å; N307-R310 VanDerWaalsContact O-NE 3.13Å
311D88.4Confident94.9Very high144 Ų14459.3 Ų59.377%0.7729%0.289SS*.THydrogen-bonded Turntrans-75.2-24.9173.860.1-48.1000113.2R309R309-D311 VanDerWaalsContact C-OD1 3.31Å; R309-D311 PolarHBondContact O-N 3.26Å
312V86Confident94.9Very high109 Ų10957.1 Ų57.166%0.66128%0.276SS*.THydrogen-bonded Turntrans-105-37.6-177.4-176.20000112.2R309R309-V312 HydrophobicContact CB-CB 4.35Å; R309-V312 PolarHBondContact O-N 3.49Å
313K86.7Confident94.8Very high15 Ų1556 Ų567%0.06527%0.273CS..  trans-138.4114.9-170.2-178.4173.262.21750110.5C250 F255 T258 I260 N307 R309C250-K313 PolarHBondContact O-NZ 2.97Å; C250-K313 VanDerWaalsContact O-NZ 3.13Å; F255-K313 PolarHBondContact O-NZ 3.3Å; T258-K313 VanDerWaalsContact O-CD 3.26Å; T258-K313 WeakPolarHBondContact O-CD 3.29Å; I260-K313 VanDerWaalsContact CD1-NZ 3.33Å; I260-K313 HydrophobicContact CG1-CD 4.48Å; N307-K313 PolarHBondContact ND2-O 3.41Å; R309-K313 PolarHBondContact O-N 2.74Å
314E91Very high94.8Very high124 Ų12459.1 Ų59.158%0.57929%0.289SS*.  trans-78142.7169.8-172.6173.7-158.500110.1Y316E314-Y316 HydrophobicContact CG-CE1 4.22Å; E314-Y316 WeakPolarHBondContact OE2-CE1 3.39Å; E314-Y316 VanDerWaalsContact OE2-CZ 3.3Å; E314-Y316 PolarHBondContact OE2-OH 3.07Å
315I95.5Very high94.8Very high12 Ų1258.5 Ų58.56%0.06229%0.287CS..EExtended strand (participates in β ladder)trans-109.3113.7172.2-62.2-174.5000108.1F246 C250 I260 L262 L304 N307F246-I315 HydrophobicContact CE1-CD1 4.15Å; F246-I315 HydrophobicContact CZ-CD1 3.62Å; F246-I315 HydrophobicContact CZ-CG2 4.15Å; C250-I315 HydrophobicContact CB-CD1 3.91Å; I260-I315 HydrophobicContact CB-CG1 4.36Å; I260-I315 HydrophobicContact CG2-CG2 4.38Å; L262-I315 HydrophobicContact CB-CG2 4.1Å; L304-I315 HydrophobicContact CD2-CB 3.89Å; L304-I315 HydrophobicContact CD2-CG2 3.81Å; L304-I315 WeakPolarHBondContact CD2-O 3.4Å; N307-I315 HydrophobicContact CB-CD1 3.73Å; N307-I315 HydrophobicContact CB-CG1 4.42Å
316Y94.6Very high94.9Very high62 Ų6260.1 Ų60.124%0.24330%0.295CS..EExtended strand (participates in β ladder)trans-75.6141.8174.8-61-75.5000109.9I260 V261 L262 E314 I338I260-Y316 PolarHBondContact O-N 3.16Å; V261-Y316 CarbonylContact C-O 3.41Å; V261-Y316 WeakPolarHBondContact CA-O 3.29Å; L262-Y316 PolarHBondContact N-O 2.93Å; E314-Y316 HydrophobicContact CG-CE1 4.22Å; E314-Y316 WeakPolarHBondContact OE2-CE1 3.39Å; E314-Y316 VanDerWaalsContact OE2-CZ 3.3Å; E314-Y316 PolarHBondContact OE2-OH 3.07Å; Y316-I338 HydrophobicContact CD1-CD1 3.94Å; Y316-I338 HydrophobicContact CD2-CD1 3.77Å; Y316-I338 HydrophobicContact CD2-CG1 4.36Å; Y316-I338 HydrophobicContact CD2-CG2 3.78Å; Y316-I338 HydrophobicContact CE1-CD1 4.49Å; Y316-I338 HydrophobicContact CE2-CD1 4.3Å; Y316-I338 HydrophobicContact CE2-CG1 4.42Å; Y316-I338 HydrophobicContact CE2-CG2 3.6Å; Y316-I338 HydrophobicContact CG-CD1 3.57Å; Y316-I338 HydrophobicContact CG-CG1 4.49Å
317S97.4Very high94.9Very high25 Ų2559 Ų5918%0.17529%0.289CS..EExtended strand (participates in β ladder)trans-134138-177.553.80000112.2L262 K300L262-S317 CarbonylContact O-C 3.57Å; L262-S317 VanDerWaalsContact O-CA 3.26Å; L262-S317 WeakPolarHBondContact O-CA 3.44Å; K300-S317 WeakPolarHBondContact CE-OG 3.25Å; K300-S317 PolarHBondContact NZ-OG 3.38Å
318H98Very high94.9Very high41 Ų4158.8 Ų58.819%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-134.1134.1-179.4-63.8-89.1000111.3L262 F263 L264 T320 V331L262-H318 PolarHBondContact O-N 3.41Å; F263-H318 HydrophobicContact CD1-CB 4.32Å; L264-H318 PolarHBondContact N-O 3.17Å; H318-T320 HydrophobicContact CB-CG2 4.18Å; H318-V331 HydrophobicContact CB-CG1 3.64Å; H318-V331 HydrophobicContact CB-CG2 4.09Å
319M98Very high95.1Very high52 Ų5256.4 Ų56.426%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-75.7121.4166.7-60.8-59-173.400108.9L223 L264 K267 G296 K300L223-M319 HydrophobicContact CD1-SD 3.8Å; L264-M319 HydrophobicContact CB-SD 3.59Å; L264-M319 VanDerWaalsContact CB-SD 3.59Å; L264-M319 HydrophobicContact CD1-CE 3.76Å; L264-M319 HydrophobicContact CD1-SD 3.69Å; L264-M319 HydrophobicContact CG-SD 4.3Å; L264-M319 WeakPolarHBondContact O-CA 3.16Å; K267-M319 HydrophobicContact CD-CB 4.15Å; G296-M319 WeakPolarHBondContact O-CE 3.43Å; K300-M319 HydrophobicContact CB-CE 4.38Å
320T98.5Very high95.3Very high1 Ų159.5 Ų59.51%0.00629%0.29CS..  trans-125.3150.8-171.650.80000113F263 L264 N265 K266 K267 H318 N327 V331F263-T320 HydrophobicContact CB-CG2 4.2Å; F263-T320 HydrophobicContact CD1-CG2 4.19Å; F263-T320 HydrophobicContact CD2-CG2 4.05Å; F263-T320 HydrophobicContact CG-CG2 3.89Å; L264-T320 PolarHBondContact O-N 2.83Å; L264-T320 PolarHBondContact O-OG1 3.26Å; N265-T320 CarbonylContact C-O 3.59Å; N265-T320 VanDerWaalsContact CA-O 3.32Å; N265-T320 WeakPolarHBondContact CA-O 3.34Å; N265-T320 WeakPolarHBondContact CA-OG1 3.05Å; N265-T320 WeakPolarHBondContact CB-OG1 3.44Å; N265-T320 PolarHBondContact N-OG1 2.92Å; N265-T320 PolarHBondContact OD1-O 3.25Å; N265-T320 PolarHBondContact OD1-OG1 3.13Å; K266-T320 PolarHBondContact N-O 2.67Å; K266-T320 VanDerWaalsContact N-O 3.07Å; K267-T320 WeakPolarHBondContact CB-O 3.36Å; K267-T320 WeakPolarHBondContact CG-O 3.4Å; K267-T320 PolarHBondContact N-O 2.79Å; K267-T320 VanDerWaalsContact N-O 3.1Å; H318-T320 HydrophobicContact CB-CG2 4.18Å; T320-N327 WeakPolarHBondContact CA-OD1 3.43Å; T320-V331 HydrophobicContact CG2-CB 4.31Å; T320-V331 HydrophobicContact CG2-CG1 3.94Å; T320-V331 HydrophobicContact CG2-CG2 4.06Å
321C98.2Very high95.7Very high8 Ų852.7 Ų52.75%0.05427%0.265CS..  trans-126.6101162.6175.20000106.8K267 D268 T323 D324 N327K267-C321 HydrophobicContact CG-CB 4.11Å; D268-C321 VanDerWaalsContact CG-SG 3.58Å; C321-T323 PolarHBondContact O-N 3.19Å; C321-T323 VanDerWaalsContact O-N 3.09Å; C321-T323 PolarHBondContact SG-OG1 3.39Å; C321-D324 HydrophobicContact CB-CB 3.9Å; C321-D324 WeakPolarHBondContact O-CB 3.33Å; C321-D324 PolarHBondContact O-N 2.92Å; C321-N327 PolarHBondContact N-OD1 3.32Å
322A98.1Very high96.1Very high4 Ų446 Ų463%0.03323%0.229CC..THydrogen-bonded Turntrans-61.5-21-175.400000113.3T44 I45 Q48 N265T44-A322 HydrophobicContact CG2-CB 3.63Å; T44-A322 WeakPolarHBondContact CG2-O 3.32Å; I45-A322 HydrophobicContact CD1-CB 3.71Å; I45-A322 HydrophobicContact CG1-CB 4.23Å; Q48-A322 VanDerWaalsContact CG-O 3.26Å; Q48-A322 WeakPolarHBondContact CG-O 3.44Å; Q48-A322 PolarHBondContact NE2-O 2.87Å; N265-A322 PolarHBondContact OD1-N 3.46Å
323T97.5Very high96.5Very high26 Ų2643.5 Ų43.516%0.1621%0.212CC..THydrogen-bonded Turntrans-86.9-3174.653.90000113.8T44 Q168 L171 R172 C321T44-T323 HydrophobicContact CG2-CG2 4.17Å; Q168-T323 PolarHBondContact OE1-O 3.24Å; L171-T323 HydrophobicContact CB-CG2 4.35Å; R172-T323 HydrophobicContact CG-CG2 4.06Å; C321-T323 PolarHBondContact O-N 3.19Å; C321-T323 VanDerWaalsContact O-N 3.09Å; C321-T323 PolarHBondContact SG-OG1 3.39Å
324D98.2Very high96.9Very high65 Ų6544 Ų4435%0.34822%0.218SC..  trans-100.6103.7173.9175.1-9.8000109.4C321 Q326 N327 V328C321-D324 HydrophobicContact CB-CB 3.9Å; C321-D324 WeakPolarHBondContact O-CB 3.33Å; C321-D324 PolarHBondContact O-N 2.92Å; D324-Q326 VanDerWaalsContact C-N 3.27Å; D324-Q326 PolarHBondContact O-N 2.81Å; D324-Q326 PolarHBondContact OD1-N 2.74Å; D324-N327 HydrophobicContact CB-CB 3.88Å; D324-N327 VanDerWaalsContact CG-CB 3.48Å; D324-N327 PolarHBondContact O-N 3.46Å; D324-N327 PolarHBondContact OD1-N 2.74Å; D324-N327 WeakPolarHBondContact OD2-CB 3.22Å; D324-V328 WeakPolarHBondContact O-CG2 3.48Å; D324-V328 PolarHBondContact O-N 3.4Å
325T98.1Very high97Very high30 Ų3038.1 Ų38.118%0.18419%0.191CC..Hα-helixtrans-60.2-34.3-177.1-51.90000112.7Q48 I51 I52 K329Q48-T325 PolarHBondContact NE2-OG1 2.8Å; Q48-T325 PolarHBondContact OE1-OG1 2.68Å; I51-T325 HydrophobicContact CG2-CG2 4.1Å; I52-T325 HydrophobicContact CD1-CG2 4.35Å; I52-T325 HydrophobicContact CG1-CG2 3.93Å; T325-K329 HydrophobicContact CG2-CD 4.45Å; T325-K329 WeakPolarHBondContact O-CB 3.21Å; T325-K329 VanDerWaalsContact O-CG 3.26Å; T325-K329 WeakPolarHBondContact O-CG 3.36Å; T325-K329 PolarHBondContact O-N 3.13Å
326Q98Very high97Very high132 Ų13237.5 Ų37.562%0.61719%0.188SC*.Hα-helixtrans-72.7-41.6179.1-65.1-61.8-21.900111.1D324 V328 K329 F330D324-Q326 VanDerWaalsContact C-N 3.27Å; D324-Q326 PolarHBondContact O-N 2.81Å; D324-Q326 PolarHBondContact OD1-N 2.74Å; Q326-V328 VanDerWaalsContact C-N 3.34Å; Q326-V328 PolarHBondContact O-N 2.87Å; Q326-K329 PolarHBondContact O-N 3.3Å; Q326-F330 WeakPolarHBondContact O-CB 3.48Å; Q326-F330 PolarHBondContact O-N 3.4Å
327N98.1Very high96.9Very high20 Ų2038.3 Ų38.311%0.10720%0.196CC..Hα-helixtrans-61.5-43.1174.1178.2-111.6000111.8K267 T320 C321 D324 F330 V331K267-N327 PolarHBondContact NZ-ND2 3.21Å; T320-N327 WeakPolarHBondContact CA-OD1 3.43Å; C321-N327 PolarHBondContact N-OD1 3.32Å; D324-N327 HydrophobicContact CB-CB 3.88Å; D324-N327 VanDerWaalsContact CG-CB 3.48Å; D324-N327 PolarHBondContact O-N 3.46Å; D324-N327 PolarHBondContact OD1-N 2.74Å; D324-N327 WeakPolarHBondContact OD2-CB 3.22Å; N327-F330 PolarHBondContact O-N 3.41Å; N327-V331 WeakPolarHBondContact O-CB 3.36Å; N327-V331 WeakPolarHBondContact O-CG2 3.48Å; N327-V331 PolarHBondContact O-N 2.96Å
328V98.2Very high96.4Very high3 Ų338.4 Ų38.42%0.01819%0.194CC..Hα-helixtrans-67.6-42.1178.5177.30000111.7I45 Q48 M49 I52 D324 Q326 F330 V331 F332I45-V328 HydrophobicContact CD1-CG1 4.13Å; I45-V328 HydrophobicContact CD1-CG2 3.85Å; Q48-V328 HydrophobicContact CB-CB 4.4Å; Q48-V328 HydrophobicContact CB-CG1 3.76Å; Q48-V328 HydrophobicContact CG-CB 4.28Å; Q48-V328 HydrophobicContact CG-CG1 4.11Å; Q48-V328 HydrophobicContact CG-CG2 4.11Å; M49-V328 HydrophobicContact CE-CG1 3.81Å; I52-V328 HydrophobicContact CD1-CB 4.22Å; I52-V328 HydrophobicContact CD1-CG1 3.84Å; D324-V328 WeakPolarHBondContact O-CG2 3.48Å; D324-V328 PolarHBondContact O-N 3.4Å; Q326-V328 VanDerWaalsContact C-N 3.34Å; Q326-V328 PolarHBondContact O-N 2.87Å; V328-F330 PolarHBondContact O-N 3.03Å; V328-V331 PolarHBondContact O-N 2.7Å; V328-F332 WeakPolarHBondContact O-CB 3.48Å; V328-F332 PolarHBondContact O-N 2.87Å
329K97.3Very high96Very high88 Ų8836.5 Ų36.538%0.38319%0.186SC..Hα-helixtrans-53.7-52.6172.7-79.7179.4-179.8-175.70111.5I52 T325 Q326 D333I52-K329 HydrophobicContact CB-CG 4.34Å; I52-K329 HydrophobicContact CD1-CB 4.46Å; I52-K329 HydrophobicContact CD1-CG 3.56Å; I52-K329 HydrophobicContact CG1-CD 4.35Å; I52-K329 HydrophobicContact CG1-CG 3.68Å; I52-K329 HydrophobicContact CG2-CD 4.32Å; I52-K329 HydrophobicContact CG2-CG 3.69Å; T325-K329 HydrophobicContact CG2-CD 4.45Å; T325-K329 WeakPolarHBondContact O-CB 3.21Å; T325-K329 VanDerWaalsContact O-CG 3.26Å; T325-K329 WeakPolarHBondContact O-CG 3.36Å; T325-K329 PolarHBondContact O-N 3.13Å; Q326-K329 PolarHBondContact O-N 3.3Å; K329-D333 WeakPolarHBondContact O-CB 3.25Å; K329-D333 PolarHBondContact O-N 2.99Å
330F97.3Very high95.6Very high142 Ų14236.4 Ų36.462%0.62319%0.186SC*.Hα-helixtrans-61.9-47.3-178.6174.6-97.5000112.6Q326 N327 V328 D333 A334Q326-F330 WeakPolarHBondContact O-CB 3.48Å; Q326-F330 PolarHBondContact O-N 3.4Å; N327-F330 PolarHBondContact O-N 3.41Å; V328-F330 PolarHBondContact O-N 3.03Å; F330-D333 PolarHBondContact O-N 2.82Å; F330-A334 PolarHBondContact O-N 3.18Å
331V96.3Very high95Very high4 Ų441.7 Ų41.72%0.02421%0.209CC..Hα-helixtrans-69.4-40.1-177.7173.30000111.1F263 H318 T320 N327 V328 D333 A334 V335F263-V331 HydrophobicContact CD1-CG1 4.13Å; F263-V331 HydrophobicContact CE1-CG1 3.34Å; F263-V331 HydrophobicContact CE2-CG1 4.29Å; F263-V331 HydrophobicContact CZ-CG1 3.45Å; F263-V331 VanDerWaalsContact CZ-CG1 3.45Å; H318-V331 HydrophobicContact CB-CG1 3.64Å; H318-V331 HydrophobicContact CB-CG2 4.09Å; T320-V331 HydrophobicContact CG2-CB 4.31Å; T320-V331 HydrophobicContact CG2-CG1 3.94Å; T320-V331 HydrophobicContact CG2-CG2 4.06Å; N327-V331 WeakPolarHBondContact O-CB 3.36Å; N327-V331 WeakPolarHBondContact O-CG2 3.48Å; N327-V331 PolarHBondContact O-N 2.96Å; V328-V331 PolarHBondContact O-N 2.7Å; V331-D333 VanDerWaalsContact C-N 3.33Å; V331-D333 PolarHBondContact O-N 3.45Å; V331-A334 PolarHBondContact O-N 3.16Å; V331-V335 WeakPolarHBondContact O-CG2 3.49Å; V331-V335 PolarHBondContact O-N 3.49Å
332F96.2Very high94.2Very high3 Ų343.5 Ų43.51%0.01322%0.216CC..Hα-helixtrans-67.8-34.3178.9-166.4-96.6000112.5L32 M49 H53 F185 F187 F192 M194 I218 V328 V335 T336L32-F332 HydrophobicContact CD1-CE2 3.63Å; L32-F332 HydrophobicContact CD1-CZ 3.71Å; M49-F332 HydrophobicContact CE-CB 4.36Å; M49-F332 HydrophobicContact CE-CD1 4.45Å; M49-F332 HydrophobicContact CE-CD2 4.07Å; M49-F332 HydrophobicContact CE-CG 4.02Å; M49-F332 HydrophobicContact SD-CD1 4.04Å; M49-F332 HydrophobicContact SD-CD2 3.84Å; M49-F332 HydrophobicContact SD-CE1 3.95Å; M49-F332 HydrophobicContact SD-CE2 3.74Å; M49-F332 HydrophobicContact SD-CG 3.99Å; M49-F332 HydrophobicContact SD-CZ 3.81Å; H53-F332 AromaticContact NE2-CD1 3.87Å; F185-F332 AromaticContact CE2-CE1 3.77Å; F185-F332 HydrophobicContact CE2-CE1 3.77Å; F185-F332 AromaticContact CE2-CZ 3.77Å; F185-F332 HydrophobicContact CE2-CZ 3.77Å; F185-F332 HydrophobicContact CZ-CE1 4.07Å; F185-F332 HydrophobicContact CZ-CE2 4.35Å; F185-F332 AromaticContact CZ-CZ 3.59Å; F185-F332 HydrophobicContact CZ-CZ 3.59Å; F187-F332 HydrophobicContact CD1-CD1 4.17Å; F187-F332 AromaticContact CD1-CE1 3.97Å; F187-F332 HydrophobicContact CD1-CE1 3.97Å; F187-F332 HydrophobicContact CE1-CD1 4.27Å; F187-F332 HydrophobicContact CE1-CE1 4.49Å; F192-F332 HydrophobicContact CD1-CZ 4.09Å; F192-F332 HydrophobicContact CE1-CE1 4.43Å; F192-F332 AromaticContact CE1-CZ 3.98Å; F192-F332 HydrophobicContact CE1-CZ 3.98Å; F192-F332 HydrophobicContact CZ-CE1 4.35Å; F192-F332 HydrophobicContact CZ-CZ 4.34Å; M194-F332 HydrophobicContact CE-CE2 3.81Å; M194-F332 HydrophobicContact CE-CZ 4.34Å; I218-F332 HydrophobicContact CD1-CE2 4.4Å; V328-F332 WeakPolarHBondContact O-CB 3.48Å; V328-F332 PolarHBondContact O-N 2.87Å; F332-V335 PolarHBondContact O-N 3.26Å; F332-T336 WeakPolarHBondContact O-CB 3.37Å; F332-T336 PolarHBondContact O-N 2.9Å; F332-T336 PolarHBondContact O-OG1 3.13Å
333D96.1Very high93.3Very high57 Ų5746 Ų4631%0.30523%0.229SC..Hα-helixtrans-60.2-47.8171.7-168.250.6000111.7F187 K188 K329 F330 V331 V335 T336 D337F187-D333 HydrophobicContact CZ-CB 4.47Å; F187-D333 VanDerWaalsContact CZ-OD1 3.29Å; F187-D333 WeakPolarHBondContact CZ-OD1 3.37Å; K188-D333 WeakPolarHBondContact CE-OD1 3.49Å; K188-D333 IonicContact NZ-OD1 2.74Å; K188-D333 PolarHBondContact NZ-OD1 3.18Å; K188-D333 IonicContact NZ-OD2 3.03Å; K329-D333 WeakPolarHBondContact O-CB 3.25Å; K329-D333 PolarHBondContact O-N 2.99Å; F330-D333 PolarHBondContact O-N 2.82Å; V331-D333 VanDerWaalsContact C-N 3.33Å; V331-D333 PolarHBondContact O-N 3.45Å; D333-V335 PolarHBondContact O-N 3.47Å; D333-T336 WeakPolarHBondContact O-CB 3.48Å; D333-T336 PolarHBondContact O-N 3.47Å; D333-T336 VanDerWaalsContact O-N 3.15Å; D333-D337 PolarHBondContact O-N 3.37Å
334A94.5Very high92.2Very high25 Ų2548 Ų4821%0.20724%0.239CC..Hα-helixtrans-61.8-40.1176.100000112.8F330 V331 T336 D337 I338F330-A334 PolarHBondContact O-N 3.18Å; V331-A334 PolarHBondContact O-N 3.16Å; A334-T336 VanDerWaalsContact C-N 3.33Å; A334-D337 PolarHBondContact O-N 3.05Å; A334-I338 WeakPolarHBondContact O-CG1 3.42Å; A334-I338 PolarHBondContact O-N 2.89Å; A334-I338 VanDerWaalsContact O-N 3.16Å
335V93.9Very high90.9Very high0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-62.8-41.5174170.60000111.2I218 V261 F263 V331 F332 D333 D337 I338 I339I218-V335 HydrophobicContact CD1-CG1 4.4Å; V261-V335 HydrophobicContact CB-CG2 4.32Å; V261-V335 HydrophobicContact CG1-CG2 3.79Å; V261-V335 HydrophobicContact CG2-CG1 4.16Å; V261-V335 HydrophobicContact CG2-CG2 4.06Å; F263-V335 HydrophobicContact CE1-CG2 3.85Å; F263-V335 HydrophobicContact CZ-CG2 4.04Å; V331-V335 WeakPolarHBondContact O-CG2 3.49Å; V331-V335 PolarHBondContact O-N 3.49Å; F332-V335 PolarHBondContact O-N 3.26Å; D333-V335 PolarHBondContact O-N 3.47Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 3.25Å; V335-I338 WeakPolarHBondContact O-CB 3.41Å; V335-I338 PolarHBondContact O-N 3.27Å; V335-I339 HydrophobicContact CG1-CD1 3.86Å; V335-I339 WeakPolarHBondContact O-CG1 3.22Å; V335-I339 PolarHBondContact O-N 3.14Å
336T94.5Very high89.5Confident0 Ų055.5 Ų55.50%027%0.272CS..Hα-helixtrans-63.5-40.9178.4-59.90000111.3F187 K188 L190 F192 F332 D333 A334 I338 I339 I340F187-T336 HydrophobicContact CD1-CG2 3.88Å; F187-T336 HydrophobicContact CE1-CG2 3.9Å; F187-T336 WeakPolarHBondContact CE1-OG1 3.32Å; K188-T336 HydrophobicContact CB-CG2 4.38Å; K188-T336 HydrophobicContact CD-CG2 3.85Å; L190-T336 HydrophobicContact CD1-CG2 4.25Å; F192-T336 HydrophobicContact CE2-CG2 4.5Å; F192-T336 HydrophobicContact CZ-CG2 3.9Å; F332-T336 WeakPolarHBondContact O-CB 3.37Å; F332-T336 PolarHBondContact O-N 2.9Å; F332-T336 PolarHBondContact O-OG1 3.13Å; D333-T336 WeakPolarHBondContact O-CB 3.48Å; D333-T336 PolarHBondContact O-N 3.47Å; D333-T336 VanDerWaalsContact O-N 3.15Å; A334-T336 VanDerWaalsContact C-N 3.33Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 2.98Å; T336-I339 PolarHBondContact O-N 3.14Å; T336-I340 HydrophobicContact CG2-CD1 3.81Å; T336-I340 HydrophobicContact CG2-CG1 4.38Å; T336-I340 VanDerWaalsContact O-CG1 3.31Å; T336-I340 WeakPolarHBondContact O-CG1 3.44Å; T336-I340 PolarHBondContact O-N 2.65Å
337D92.1Very high87.8Confident79 Ų7953.7 Ų53.742%0.42227%0.273SS..Hα-helixtrans-64.4-36.3176.7-72.4-17000112.7K188 D333 A334 V335 K341K188-D337 IonicContact NZ-OD1 2.57Å; K188-D337 PolarHBondContact NZ-OD1 3.47Å; K188-D337 IonicContact NZ-OD2 2.92Å; K188-D337 PolarHBondContact NZ-OD2 2.91Å; D333-D337 PolarHBondContact O-N 3.37Å; A334-D337 PolarHBondContact O-N 3.05Å; V335-D337 VanDerWaalsContact C-N 3.33Å; V335-D337 PolarHBondContact O-N 3.25Å; D337-K341 VanDerWaalsContact O-CB 3.29Å; D337-K341 WeakPolarHBondContact O-CB 3.32Å; D337-K341 PolarHBondContact O-N 2.87Å
338I88.1Confident85.6Confident26 Ų2655.8 Ų55.813%0.13330%0.299CS..Hα-helixtrans-62.6-48.7173-68160.3000110.2Y316 A334 V335 T336 I340 K341 E342Y316-I338 HydrophobicContact CD1-CD1 3.94Å; Y316-I338 HydrophobicContact CD2-CD1 3.77Å; Y316-I338 HydrophobicContact CD2-CG1 4.36Å; Y316-I338 HydrophobicContact CD2-CG2 3.78Å; Y316-I338 HydrophobicContact CE1-CD1 4.49Å; Y316-I338 HydrophobicContact CE2-CD1 4.3Å; Y316-I338 HydrophobicContact CE2-CG1 4.42Å; Y316-I338 HydrophobicContact CE2-CG2 3.6Å; Y316-I338 HydrophobicContact CG-CD1 3.57Å; Y316-I338 HydrophobicContact CG-CG1 4.49Å; A334-I338 WeakPolarHBondContact O-CG1 3.42Å; A334-I338 PolarHBondContact O-N 2.89Å; A334-I338 VanDerWaalsContact O-N 3.16Å; V335-I338 WeakPolarHBondContact O-CB 3.41Å; V335-I338 PolarHBondContact O-N 3.27Å; T336-I338 VanDerWaalsContact C-N 3.33Å; T336-I338 PolarHBondContact O-N 2.98Å; I338-I340 PolarHBondContact O-N 2.86Å; I338-K341 PolarHBondContact O-N 3.37Å; I338-E342 WeakPolarHBondContact O-CG 3.5Å; I338-E342 PolarHBondContact O-N 3.41Å
339I89.5Confident83.3Confident2 Ų261.7 Ų61.71%0.0133%0.33CS..Hα-helixtrans-60.8-45.3180-67.5166.5000111V30 L32 F192 T215 C216 V335 T336 K341 E342 N343V30-I339 HydrophobicContact CG1-CD1 4.15Å; V30-I339 HydrophobicContact CG1-CG2 4.07Å; V30-I339 HydrophobicContact CG2-CG2 4.04Å; L32-I339 HydrophobicContact CD2-CD1 3.71Å; F192-I339 HydrophobicContact CE1-CD1 4.48Å; T215-I339 HydrophobicContact CG2-CG2 3.99Å; C216-I339 HydrophobicContact CB-CD1 3.78Å; C216-I339 HydrophobicContact CB-CG1 3.95Å; V335-I339 HydrophobicContact CG1-CD1 3.86Å; V335-I339 WeakPolarHBondContact O-CG1 3.22Å; V335-I339 PolarHBondContact O-N 3.14Å; T336-I339 PolarHBondContact O-N 3.14Å; I339-K341 VanDerWaalsContact C-N 3.34Å; I339-K341 PolarHBondContact O-N 3.12Å; I339-E342 PolarHBondContact O-N 3.47Å; I339-N343 WeakPolarHBondContact O-CB 3.3Å; I339-N343 PolarHBondContact O-N 3.27Å
340I89Confident80.7Confident50 Ų5067.5 Ų67.526%0.25636%0.356SS..Hα-helixtrans-60.6-45.9177.2-70.2167.1000110.2K188 L190 T336 I338 E342 N343 L344K188-I340 HydrophobicContact CB-CD1 4.43Å; K188-I340 HydrophobicContact CD-CD1 4.31Å; L190-I340 HydrophobicContact CD1-CD1 4.03Å; L190-I340 HydrophobicContact CD1-CG1 3.68Å; T336-I340 HydrophobicContact CG2-CD1 3.81Å; T336-I340 HydrophobicContact CG2-CG1 4.38Å; T336-I340 VanDerWaalsContact O-CG1 3.31Å; T336-I340 WeakPolarHBondContact O-CG1 3.44Å; T336-I340 PolarHBondContact O-N 2.65Å; I338-I340 PolarHBondContact O-N 2.86Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 2.6Å; I340-N343 PolarHBondContact O-N 2.78Å; I340-L344 HydrophobicContact CG2-CD1 3.86Å; I340-L344 HydrophobicContact CG2-CG 4.35Å; I340-L344 WeakPolarHBondContact O-CB 3.32Å; I340-L344 VanDerWaalsContact O-CG 3.26Å; I340-L344 WeakPolarHBondContact O-CG 3.36Å; I340-L344 PolarHBondContact O-N 3.16Å
341K85.6Confident79.9Confident111 Ų11163.8 Ų63.848%0.48334%0.342SS..Hα-helixtrans-61.2-40179.6-177.2-179178.6-176.80112.3D337 I338 I339 K345D337-K341 VanDerWaalsContact O-CB 3.29Å; D337-K341 WeakPolarHBondContact O-CB 3.32Å; D337-K341 PolarHBondContact O-N 2.87Å; I338-K341 PolarHBondContact O-N 3.37Å; I339-K341 VanDerWaalsContact C-N 3.34Å; I339-K341 PolarHBondContact O-N 3.12Å; K341-K345 WeakPolarHBondContact O-CG 3.29Å; K341-K345 PolarHBondContact O-N 2.91Å
342E81.5Confident79Confident47 Ų4766.9 Ų66.922%0.2236%0.359CS..Hα-helixtrans-71.5-44.3178.3-72.3176154.900111.8S259 I338 I339 I340 L344 K345 D346S259-E342 WeakPolarHBondContact CB-OE2 3.48Å; S259-E342 VanDerWaalsContact OG-CD 3.26Å; S259-E342 PolarHBondContact OG-OE2 3.09Å; I338-E342 WeakPolarHBondContact O-CG 3.5Å; I338-E342 PolarHBondContact O-N 3.41Å; I339-E342 PolarHBondContact O-N 3.47Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 2.6Å; E342-L344 VanDerWaalsContact C-N 3.27Å; E342-L344 PolarHBondContact O-N 3.32Å; E342-K345 WeakPolarHBondContact O-CB 3.44Å; E342-K345 PolarHBondContact O-N 3.25Å; E342-K345 VanDerWaalsContact O-N 3.11Å; E342-D346 PolarHBondContact O-N 2.77Å
343N78.4Confident78Confident56 Ų5670.5 Ų70.530%0.29938%0.378SS..Hα-helixtrans-59.6-37.1174.6-75.2-18000112.4I339 I340 D346 C347I339-N343 WeakPolarHBondContact O-CB 3.3Å; I339-N343 PolarHBondContact O-N 3.27Å; I340-N343 PolarHBondContact O-N 2.78Å; N343-D346 PolarHBondContact O-N 2.87Å; N343-C347 PolarHBondContact O-N 2.94Å; N343-C347 PolarHBondContact O-SG 3.06Å
344L75.3Confident77Confident69 Ų6971.3 Ų71.336%0.36138%0.383SS..Hα-helixtrans-69.8-34176.4-72.3173.5000113I340 E342 C347 G348 L349I340-L344 HydrophobicContact CG2-CD1 3.86Å; I340-L344 HydrophobicContact CG2-CG 4.35Å; I340-L344 WeakPolarHBondContact O-CB 3.32Å; I340-L344 VanDerWaalsContact O-CG 3.26Å; I340-L344 WeakPolarHBondContact O-CG 3.36Å; I340-L344 PolarHBondContact O-N 3.16Å; E342-L344 VanDerWaalsContact C-N 3.27Å; E342-L344 PolarHBondContact O-N 3.32Å; L344-C347 PolarHBondContact O-N 3.41Å; L344-G348 PolarHBondContact O-N 2.96Å; L344-L349 HydrophobicContact CD2-CD1 4.04Å; L344-L349 PolarHBondContact O-N 2.91Å
345K71.2Confident75.9Confident111 Ų11174.2 Ų74.248%0.48339%0.394SS..Hα-helixtrans-64.4-43172.8-75.4174.4176.8-176.70111.1K341 E342 C347 G348 F350K341-K345 WeakPolarHBondContact O-CG 3.29Å; K341-K345 PolarHBondContact O-N 2.91Å; E342-K345 WeakPolarHBondContact O-CB 3.44Å; E342-K345 PolarHBondContact O-N 3.25Å; E342-K345 VanDerWaalsContact O-N 3.11Å; K345-C347 PolarHBondContact O-N 3.3Å; K345-G348 PolarHBondContact O-N 2.89Å; K345-F350 HydrophobicContact CG-CB 4.19Å
346D67.4Low74.7Confident141 Ų14179.1 Ų79.175%0.75442%0.42SS*.Hα-helixtrans-63.7-27.1177.6-71.9-13000112.4E342 N343 G348E342-D346 PolarHBondContact O-N 2.77Å; N343-D346 PolarHBondContact O-N 2.87Å; D346-G348 VanDerWaalsContact C-N 3.31Å; D346-G348 PolarHBondContact O-N 2.91Å
347C62.6Low73.3Confident94 Ų9484.8 Ų84.864%0.63545%0.45SS*.THydrogen-bonded Turntrans-80.4-2.4173.7-62.40000114.5N343 L344 K345 L349N343-C347 PolarHBondContact O-N 2.94Å; N343-C347 PolarHBondContact O-SG 3.06Å; L344-C347 PolarHBondContact O-N 3.41Å; K345-C347 PolarHBondContact O-N 3.3Å; C347-L349 HydrophobicContact CB-CD1 4.3Å; C347-L349 HydrophobicContact CB-CG 4.45Å
348G51.9Low71.8Confident63 Ų6385.2 Ų85.265%0.64945%0.452SS*.THydrogen-bonded Turntrans72.922-178.800000114.8L344 K345 D346 F350L344-G348 PolarHBondContact O-N 2.96Å; K345-G348 PolarHBondContact O-N 2.89Å; D346-G348 VanDerWaalsContact C-N 3.31Å; D346-G348 PolarHBondContact O-N 2.91Å; G348-F350 VanDerWaalsContact C-N 3.35Å
349L51.5Low70.5Confident128 Ų12890.2 Ų90.267%0.6748%0.479SS*.  trans-93.414.4179.7-70.7169.3000113.4L344 C347L344-L349 HydrophobicContact CD2-CD1 4.04Å; L344-L349 PolarHBondContact O-N 2.91Å; C347-L349 HydrophobicContact CB-CD1 4.3Å; C347-L349 HydrophobicContact CB-CG 4.45Å
350F41.6Very low68.7Low210 Ų21098.2 Ų98.292%0.92152%0.521SS*.  trans-138.20177.6-118.9-79.1000113.5K345 G348K345-F350 HydrophobicContact CG-CB 4.19Å; G348-F350 VanDerWaalsContact C-N 3.35Å

Retrieved 350 of 350 residues in 82.1 ms (Link to these results)

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