A0A093HYQ5_STRCA Loading...

Guanine nucleotide-binding protein G(T) subunit alpha-3

AlphaFold DB , UniProt , Accession A0A093HYQ5, Species STRCA (Struthio camelus australis), Gene n/a, Length 354 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
1M46.8Very low60.5Low254 Ų254103.6 Ų103.6100%1.25163%0.634SS**  0118.90-66.8-155.6-92.500107.4
2G52.2Low62.1Low69 Ų69100.7 Ų100.771%0.71162%0.62SS**  trans164.3-0.3179.600000119.6
3S51.2Low63.9Low108 Ų10896.4 Ų96.476%0.75560%0.601SS**SBendtrans-103.5-17.1-175.4-44.20000114.9
4G50.2Low65.5Low43 Ų43101.6 Ų101.644%0.44360%0.604SS.*Hα-helixtrans-81.1-33.3-177.200000115.2S6 S7 E8G4-S6 VanDerWaalsContact C-N 3.29Å; G4-S6 PolarHBondContact O-N 3.41Å; G4-S7 PolarHBondContact O-N 3.22Å; G4-S7 PolarHBondContact O-OG 3.01Å; G4-E8 PolarHBondContact O-N 3.42Å
5A53.5Low67Low72 Ų72104.7 Ų104.760%0.59560%0.601SS**Hα-helixtrans-69.5-25.1-17800000113.5S9A5-S9 VanDerWaalsContact O-CB 3.28Å; A5-S9 WeakPolarHBondContact O-CB 3.48Å; A5-S9 PolarHBondContact O-N 3.39Å; A5-S9 VanDerWaalsContact O-N 3.11Å
6S60Low68.4Low66 Ų66101.8 Ų101.846%0.46259%0.589SS.*Hα-helixtrans-76.2-36.7178.3168.50000112.5G4 K10G4-S6 VanDerWaalsContact C-N 3.29Å; G4-S6 PolarHBondContact O-N 3.41Å; S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 3.1Å; S6-K10 VanDerWaalsContact O-N 3.14Å
7S60.1Low69.7Low69 Ų69106.6 Ų106.648%0.48360%0.595SS.*Hα-helixtrans-71.8-41.6174.144.10000111.8G4 S9 K10 E11G4-S7 PolarHBondContact O-N 3.22Å; G4-S7 PolarHBondContact O-OG 3.01Å; S7-S9 VanDerWaalsContact C-N 3.33Å; S7-S9 PolarHBondContact O-N 3.31Å; S7-K10 PolarHBondContact O-N 3.36Å; S7-E11 WeakPolarHBondContact O-CB 3.35Å; S7-E11 PolarHBondContact O-N 3.1Å
8E60.7Low70.9Confident139 Ų139105.9 Ų105.965%0.6559%0.586SS**Hα-helixtrans-62.8-38.1175.1-75.6177.5155.400112.1G4 E11 S12G4-E8 PolarHBondContact O-N 3.42Å; E8-E11 PolarHBondContact O-N 2.93Å; E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 3.06Å; E8-S12 PolarHBondContact O-OG 3.39Å
9S72.8Confident72Confident74 Ų74106.1 Ų106.152%0.51759%0.586SS.*Hα-helixtrans-65.6-38.2174167.90000113.3A5 S7 S12 A13A5-S9 VanDerWaalsContact O-CB 3.28Å; A5-S9 WeakPolarHBondContact O-CB 3.48Å; A5-S9 PolarHBondContact O-N 3.39Å; A5-S9 VanDerWaalsContact O-N 3.11Å; S7-S9 VanDerWaalsContact C-N 3.33Å; S7-S9 PolarHBondContact O-N 3.31Å; S9-S12 WeakPolarHBondContact CA-OG 3.26Å; S9-S12 PolarHBondContact O-OG 2.95Å; S9-A13 WeakPolarHBondContact O-CB 3.43Å; S9-A13 PolarHBondContact O-N 3.47Å; S9-A13 VanDerWaalsContact O-N 3.09Å
10K76.5Confident73Confident148 Ų148106.8 Ų106.864%0.64358%0.584SS**Hα-helixtrans-73.3-37.2176.7-75.7178.2-179-1790112S6 S7 R14S6-K10 WeakPolarHBondContact O-CG 3.47Å; S6-K10 PolarHBondContact O-N 3.1Å; S6-K10 VanDerWaalsContact O-N 3.14Å; S7-K10 PolarHBondContact O-N 3.36Å; K10-R14 WeakPolarHBondContact O-CB 3.43Å; K10-R14 PolarHBondContact O-N 2.63Å
11E81.1Confident73.9Confident98 Ų98108 Ų10846%0.45858%0.584SS.*Hα-helixtrans-69.6-40.2177.3-162.5-178.9162.200111.5S7 E8 R14 R15S7-E11 WeakPolarHBondContact O-CB 3.35Å; S7-E11 PolarHBondContact O-N 3.1Å; E8-E11 PolarHBondContact O-N 2.93Å; E11-R14 PolarHBondContact O-N 3.27Å; E11-R15 WeakPolarHBondContact O-CG 3.46Å; E11-R15 PolarHBondContact O-N 2.47Å; E11-R15 IonicContact OE1-CZ 3.71Å; E11-R15 IonicContact OE1-NE 3.83Å; E11-R15 IonicContact OE1-NH2 3.1Å; E11-R15 PolarHBondContact OE1-NH2 3.25Å
12S80.7Confident76.1Confident68 Ų68102.1 Ų102.148%0.47655%0.551SS.*Hα-helixtrans-65.2-41.7173.766.80000112.2E8 S9 R14 R15 S16E8-S12 WeakPolarHBondContact O-CB 3.42Å; E8-S12 PolarHBondContact O-N 3.06Å; E8-S12 PolarHBondContact O-OG 3.39Å; S9-S12 WeakPolarHBondContact CA-OG 3.26Å; S9-S12 PolarHBondContact O-OG 2.95Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 3.05Å; S12-R15 PolarHBondContact O-N 3.4Å; S12-S16 WeakPolarHBondContact O-CB 3.4Å; S12-S16 PolarHBondContact O-N 3.16Å
13A84.4Confident77.9Confident45 Ų45104.4 Ų104.437%0.37255%0.547SS..Hα-helixtrans-62.9-37.4174.200000112.4S9 S16 R17S9-A13 WeakPolarHBondContact O-CB 3.43Å; S9-A13 PolarHBondContact O-N 3.47Å; S9-A13 VanDerWaalsContact O-N 3.09Å; A13-S16 PolarHBondContact O-N 3.17Å; A13-R17 WeakPolarHBondContact O-CG 3.48Å; A13-R17 PolarHBondContact O-N 3.29Å
14R86.6Confident79.8Confident169 Ų169105.2 Ų105.264%0.63854%0.538SS*.Hα-helixtrans-66.2-47.8174.4-177.3178.8172.7163.31.2111.6K10 E11 S12 S16 R17 E18K10-R14 WeakPolarHBondContact O-CB 3.43Å; K10-R14 PolarHBondContact O-N 2.63Å; E11-R14 PolarHBondContact O-N 3.27Å; S12-R14 VanDerWaalsContact C-N 3.32Å; S12-R14 PolarHBondContact O-N 3.05Å; R14-S16 VanDerWaalsContact C-N 3.28Å; R14-S16 PolarHBondContact O-N 3.06Å; R14-R17 PolarHBondContact O-N 3.06Å; R14-E18 IonicContact CZ-OE1 2.74Å; R14-E18 IonicContact NE-OE1 3.85Å; R14-E18 PolarHBondContact NE-OE1 3.2Å; R14-E18 IonicContact NH2-OE1 3.63Å; R14-E18 WeakPolarHBondContact O-CG 3.12Å; R14-E18 PolarHBondContact O-N 3.38Å
15R88.4Confident81.6Confident148 Ų148107.7 Ų107.756%0.55854%0.539SS*.Hα-helixtrans-59.6-39.1175-71.5179.4-170.4-175.24.2111.7E11 S12 E18 L19E11-R15 WeakPolarHBondContact O-CG 3.46Å; E11-R15 PolarHBondContact O-N 2.47Å; E11-R15 IonicContact OE1-CZ 3.71Å; E11-R15 IonicContact OE1-NE 3.83Å; E11-R15 IonicContact OE1-NH2 3.1Å; E11-R15 PolarHBondContact OE1-NH2 3.25Å; S12-R15 PolarHBondContact O-N 3.4Å; R15-E18 PolarHBondContact O-N 3.39Å; R15-L19 WeakPolarHBondContact O-CB 3.25Å; R15-L19 VanDerWaalsContact O-CG 3.32Å; R15-L19 WeakPolarHBondContact O-CG 3.21Å; R15-L19 PolarHBondContact O-N 2.96Å
16S89.1Confident83.1Confident59 Ų59107.5 Ų107.541%0.41353%0.528SS..Hα-helixtrans-62.2-45.8176.1-160.70000111.9S12 A13 R14 L19 E20S12-S16 WeakPolarHBondContact O-CB 3.4Å; S12-S16 PolarHBondContact O-N 3.16Å; A13-S16 PolarHBondContact O-N 3.17Å; R14-S16 VanDerWaalsContact C-N 3.28Å; R14-S16 PolarHBondContact O-N 3.06Å; S16-L19 PolarHBondContact O-N 3.35Å; S16-E20 WeakPolarHBondContact O-CG 3.27Å; S16-E20 PolarHBondContact O-N 3.22Å
17R90.1Very high84.3Confident184 Ų184107.2 Ų107.269%0.69453%0.529SS*.Hα-helixtrans-65.3-38.4175.7-71.2179.5-165178.43.6112.7A13 R14 L19 K21A13-R17 WeakPolarHBondContact O-CG 3.48Å; A13-R17 PolarHBondContact O-N 3.29Å; R14-R17 PolarHBondContact O-N 3.06Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-K21 WeakPolarHBondContact O-CB 3.48Å; R17-K21 PolarHBondContact O-N 3.5Å
18E92Very high85.3Confident93 Ų93108.7 Ų108.744%0.43553%0.528SS..Hα-helixtrans-65.5-37175.4-73.6172.8-170.500111.4R14 R15 K22R14-E18 IonicContact CZ-OE1 2.74Å; R14-E18 IonicContact NE-OE1 3.85Å; R14-E18 PolarHBondContact NE-OE1 3.2Å; R14-E18 IonicContact NH2-OE1 3.63Å; R14-E18 WeakPolarHBondContact O-CG 3.12Å; R14-E18 PolarHBondContact O-N 3.38Å; R15-E18 PolarHBondContact O-N 3.39Å; E18-K22 WeakPolarHBondContact O-CG 3.47Å; E18-K22 PolarHBondContact O-N 3.08Å; E18-K22 VanDerWaalsContact O-N 3.07Å
19L90.9Very high86.3Confident110 Ų110108.8 Ų108.858%0.57652%0.523SS*.Hα-helixtrans-68.9-45.8173.6-76.6165.4000112.3R15 S16 R17 K21 K22 L23R15-L19 WeakPolarHBondContact O-CB 3.25Å; R15-L19 VanDerWaalsContact O-CG 3.32Å; R15-L19 WeakPolarHBondContact O-CG 3.21Å; R15-L19 PolarHBondContact O-N 2.96Å; S16-L19 PolarHBondContact O-N 3.35Å; R17-L19 VanDerWaalsContact C-N 3.32Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.35Å; L19-K22 PolarHBondContact O-N 3.27Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.25Å
20E91.9Very high86.6Confident119 Ų119110.5 Ų110.556%0.55652%0.522SS*.Hα-helixtrans-58.8-43.7175.4-79.2173.6-178.600111.5S16 K22 L23 Q24S16-E20 WeakPolarHBondContact O-CG 3.27Å; S16-E20 PolarHBondContact O-N 3.22Å; E20-K22 PolarHBondContact O-N 3.36Å; E20-L23 PolarHBondContact O-N 2.98Å; E20-Q24 WeakPolarHBondContact O-CB 3.5Å; E20-Q24 PolarHBondContact O-N 3.38Å
21K93Very high86.7Confident132 Ų132107.6 Ų107.657%0.57453%0.526SS*.Hα-helixtrans-60.6-45.5175.5-173.6178.9175-171.60111.5R17 L19 Q24 E25R17-K21 WeakPolarHBondContact O-CB 3.48Å; R17-K21 PolarHBondContact O-N 3.5Å; L19-K21 VanDerWaalsContact C-N 3.31Å; L19-K21 PolarHBondContact O-N 3.35Å; K21-Q24 PolarHBondContact O-N 3.29Å; K21-E25 WeakPolarHBondContact CE-OE1 3.03Å; K21-E25 IonicContact NZ-OE1 2.74Å; K21-E25 WeakPolarHBondContact O-CG 3.27Å; K21-E25 PolarHBondContact O-N 2.84Å
22K92Very high86.7Confident131 Ų131110.6 Ų110.657%0.5753%0.533SS*.Hα-helixtrans-62.8-42.2175.7-79.6-177.4176.6-176.80112.5E18 L19 E20 Q24 E25 D26E18-K22 WeakPolarHBondContact O-CG 3.47Å; E18-K22 PolarHBondContact O-N 3.08Å; E18-K22 VanDerWaalsContact O-N 3.07Å; L19-K22 PolarHBondContact O-N 3.27Å; E20-K22 PolarHBondContact O-N 3.36Å; K22-Q24 VanDerWaalsContact C-N 3.3Å; K22-Q24 PolarHBondContact O-N 3.47Å; K22-E25 PolarHBondContact O-N 3.18Å; K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.38Å; K22-D26 VanDerWaalsContact O-CG 3.27Å; K22-D26 PolarHBondContact O-N 2.97Å
23L91.4Very high87Confident117 Ų117108.3 Ų108.361%0.61352%0.517SS*.Hα-helixtrans-61.9-40.2177.2-75.9167.5000111.5L19 E20 A27L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.25Å; E20-L23 PolarHBondContact O-N 2.98Å; L23-A27 VanDerWaalsContact O-CB 3.26Å; L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 3.02Å
24Q90.4Very high87.3Confident125 Ų125106.4 Ų106.458%0.58450%0.5SS*.Hα-helixtrans-67.9-44.8176.4-173.7164-2.700111.8E20 K21 K22 D26 A27 E28E20-Q24 WeakPolarHBondContact O-CB 3.5Å; E20-Q24 PolarHBondContact O-N 3.38Å; K21-Q24 PolarHBondContact O-N 3.29Å; K22-Q24 VanDerWaalsContact C-N 3.3Å; K22-Q24 PolarHBondContact O-N 3.47Å; Q24-D26 VanDerWaalsContact C-N 3.34Å; Q24-D26 PolarHBondContact O-N 2.88Å; Q24-A27 PolarHBondContact O-N 2.94Å; Q24-E28 WeakPolarHBondContact O-CG 3.36Å; Q24-E28 PolarHBondContact O-N 2.85Å
25E88.1Confident87.6Confident96 Ų96100.2 Ų100.245%0.44948%0.478SS..Hα-helixtrans-61-41.4174.7-72.7172.6175.900112K21 K22 E28 R29K21-E25 WeakPolarHBondContact CE-OE1 3.03Å; K21-E25 IonicContact NZ-OE1 2.74Å; K21-E25 WeakPolarHBondContact O-CG 3.27Å; K21-E25 PolarHBondContact O-N 2.84Å; K22-E25 PolarHBondContact O-N 3.18Å; E25-E28 PolarHBondContact O-N 2.97Å; E25-R29 WeakPolarHBondContact O-CB 3.39Å; E25-R29 PolarHBondContact O-N 3.35Å
26D85.8Confident87.9Confident68 Ų6893.1 Ų93.136%0.36445%0.451SS..Hα-helixtrans-67.1-40.2177-76-25.6000111.5K22 Q24 R29 E30K22-D26 VanDerWaalsContact O-CB 3.31Å; K22-D26 WeakPolarHBondContact O-CB 3.38Å; K22-D26 VanDerWaalsContact O-CG 3.27Å; K22-D26 PolarHBondContact O-N 2.97Å; Q24-D26 VanDerWaalsContact C-N 3.34Å; Q24-D26 PolarHBondContact O-N 2.88Å; D26-R29 PolarHBondContact O-N 3.21Å; D26-R29 IonicContact OD1-CZ 3.89Å; D26-R29 VanDerWaalsContact OD1-CZ 3.26Å; D26-R29 IonicContact OD1-NH1 2.69Å; D26-R29 PolarHBondContact OD1-NH1 3.28Å; D26-R29 IonicContact OD1-NH2 3.6Å; D26-R29 PolarHBondContact OD1-NH2 3.43Å; D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 PolarHBondContact O-N 3.49Å
27A84.1Confident88.2Confident59 Ų5990.3 Ų90.349%0.48843%0.432SS..Hα-helixtrans-65-42.7175.800000111.9L23 Q24 R29 E30 A31L23-A27 VanDerWaalsContact O-CB 3.26Å; L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 3.02Å; Q24-A27 PolarHBondContact O-N 2.94Å; A27-R29 VanDerWaalsContact C-N 3.35Å; A27-E30 PolarHBondContact O-N 3.49Å; A27-A31 WeakPolarHBondContact O-CB 3.41Å; A27-A31 PolarHBondContact O-N 2.64Å
28E81.8Confident88.5Confident101 Ų10181.6 Ų81.647%0.47240%0.399SS..Hα-helixtrans-64-40.3174.7-74.4177.8-166.700111.7Q24 E25 A31 R32Q24-E28 WeakPolarHBondContact O-CG 3.36Å; Q24-E28 PolarHBondContact O-N 2.85Å; E25-E28 PolarHBondContact O-N 2.97Å; E28-A31 PolarHBondContact O-N 2.94Å; E28-R32 PolarHBondContact O-N 2.69Å
29R80.6Confident88.7Confident141 Ų14177.1 Ų77.153%0.53238%0.378SS..Hα-helixtrans-65.1-43.7175.1-172.4179.566.1-143.5-10.1111.3E25 D26 A27 R32 T33E25-R29 WeakPolarHBondContact O-CB 3.39Å; E25-R29 PolarHBondContact O-N 3.35Å; D26-R29 PolarHBondContact O-N 3.21Å; D26-R29 IonicContact OD1-CZ 3.89Å; D26-R29 VanDerWaalsContact OD1-CZ 3.26Å; D26-R29 IonicContact OD1-NH1 2.69Å; D26-R29 PolarHBondContact OD1-NH1 3.28Å; D26-R29 IonicContact OD1-NH2 3.6Å; D26-R29 PolarHBondContact OD1-NH2 3.43Å; A27-R29 VanDerWaalsContact C-N 3.35Å; R29-R32 CarbonylContact O-C 3.58Å; R29-R32 PolarHBondContact O-N 3.12Å; R29-T33 PolarHBondContact O-N 3.07Å; R29-T33 PolarHBondContact O-OG1 2.88Å
30E80.4Confident89Confident109 Ų10971.9 Ų71.951%0.50935%0.351SS..Hα-helixtrans-66-38.3178.5-176154.1-152.500111.8D26 A27 R32 T33 K35D26-E30 WeakPolarHBondContact O-CB 3.45Å; D26-E30 PolarHBondContact O-N 3.49Å; A27-E30 PolarHBondContact O-N 3.49Å; E30-R32 PolarHBondContact O-N 2.93Å; E30-T33 WeakPolarHBondContact O-CB 3.29Å; E30-T33 PolarHBondContact O-N 3.47Å; E30-K35 IonicContact OE1-NZ 3.26Å; E30-K35 PolarHBondContact OE1-NZ 2.88Å
31A77.9Confident89.2Confident88 Ų8866.8 Ų66.873%0.72733%0.328SS*.Hα-helixtrans-61.3-27.6174.100000113.3A27 E28A27-A31 WeakPolarHBondContact O-CB 3.41Å; A27-A31 PolarHBondContact O-N 2.64Å; E28-A31 PolarHBondContact O-N 2.94Å
32R80.8Confident89.1Confident160 Ų16061.8 Ų61.860%0.60431%0.314SS*.THydrogen-bonded Turntrans-97.110.8175.6-61.7-178.9-171.8-176.55.2113.5E28 R29 E30 N195E28-R32 PolarHBondContact O-N 2.69Å; R29-R32 CarbonylContact O-C 3.58Å; R29-R32 PolarHBondContact O-N 3.12Å; E30-R32 PolarHBondContact O-N 2.93Å; R32-N195 PolarHBondContact O-N 3.25Å
33T88Confident89.1Confident21 Ų2157.7 Ų57.713%0.12930%0.298CS..EExtended strand (participates in β ladder)trans-97117.9-178.2-63.60000111R29 E30 K35 N195 R197R29-T33 PolarHBondContact O-N 3.07Å; R29-T33 PolarHBondContact O-OG1 2.88Å; E30-T33 WeakPolarHBondContact O-CB 3.29Å; E30-T33 PolarHBondContact O-N 3.47Å; T33-K35 HydrophobicContact CG2-CG 4.38Å; T33-N195 CarbonylContact C-O 3.34Å; T33-N195 VanDerWaalsContact CA-O 3.26Å; T33-N195 WeakPolarHBondContact CA-O 3.31Å; T33-R197 HydrophobicContact CG2-CB 4.26Å; T33-R197 VanDerWaalsContact CG2-CD 3.43Å; T33-R197 HydrophobicContact CG2-CG 3.57Å
34V90.3Very high89.4Confident4 Ų452.2 Ų52.22%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-87.3117.5173.3179.10000109.1L36 L194 N195 F196 R197 T219 I343V34-L36 HydrophobicContact CG1-CD2 3.71Å; V34-L36 HydrophobicContact CG1-CG 4.15Å; V34-L194 HydrophobicContact CG2-CD1 4.17Å; V34-N195 PolarHBondContact N-O 3.01Å; V34-F196 HydrophobicContact CB-CD1 3.75Å; V34-F196 HydrophobicContact CB-CE1 3.79Å; V34-F196 HydrophobicContact CB-CG 4.42Å; V34-F196 HydrophobicContact CB-CZ 4.47Å; V34-F196 HydrophobicContact CG1-CD1 3.78Å; V34-F196 HydrophobicContact CG1-CE1 3.66Å; V34-F196 HydrophobicContact CG2-CE1 4.21Å; V34-F196 HydrophobicContact CG2-CZ 4.46Å; V34-F196 WeakPolarHBondContact O-CA 3.49Å; V34-R197 PolarHBondContact O-N 3.32Å; V34-T219 HydrophobicContact CG1-CG2 4.05Å; V34-I343 HydrophobicContact CG1-CG2 3.89Å
35K92.3Very high89.6Confident39 Ų3946.8 Ų46.817%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-95.1111.9178-67.2177-175.3167.70109.3E30 T33 R197 F199 G217 T219 C220E30-K35 IonicContact OE1-NZ 3.26Å; E30-K35 PolarHBondContact OE1-NZ 2.88Å; T33-K35 HydrophobicContact CG2-CG 4.38Å; K35-R197 CarbonylContact C-O 3.59Å; K35-R197 WeakPolarHBondContact CA-O 3.28Å; K35-R197 HydrophobicContact CG-CB 4.44Å; K35-F199 HydrophobicContact CB-CE2 4.23Å; K35-F199 HydrophobicContact CG-CE2 4.32Å; K35-G217 WeakPolarHBondContact CD-O 3.23Å; K35-T219 PolarHBondContact N-OG1 3.2Å; K35-T219 WeakPolarHBondContact O-CB 3.35Å; K35-T219 PolarHBondContact O-N 2.77Å; K35-C220 PolarHBondContact O-N 3.43Å
36L94.4Very high90Very high0 Ų042.6 Ų42.60%023%0.227CC..EExtended strand (participates in β ladder)trans-104.4125.2179-58.5-177.7000110.6V34 F196 R197 M198 F199 C220 I222 F336 I343V34-L36 HydrophobicContact CG1-CD2 3.71Å; V34-L36 HydrophobicContact CG1-CG 4.15Å; L36-F196 HydrophobicContact CD1-CD1 3.6Å; L36-F196 HydrophobicContact CD1-CE1 4.13Å; L36-F196 HydrophobicContact CG-CD1 4Å; L36-R197 PolarHBondContact N-O 3.01Å; L36-M198 HydrophobicContact CB-CB 4.49Å; L36-M198 HydrophobicContact CB-CE 4.41Å; L36-M198 HydrophobicContact CB-CG 4.46Å; L36-M198 HydrophobicContact CD1-CE 3.59Å; L36-M198 CarbonylContact O-C 3.5Å; L36-M198 WeakPolarHBondContact O-CA 3.47Å; L36-F199 WeakPolarHBondContact O-CD2 3.07Å; L36-F199 PolarHBondContact O-N 3.06Å; L36-C220 WeakPolarHBondContact CA-O 3.47Å; L36-C220 HydrophobicContact CD2-CB 3.8Å; L36-I222 HydrophobicContact CD1-CD1 4.28Å; L36-F336 HydrophobicContact CD1-CE2 3.76Å; L36-F336 HydrophobicContact CD1-CZ 3.81Å; L36-I343 HydrophobicContact CD2-CD1 3.7Å
37L95.9Very high90.5Very high0 Ų040.9 Ų40.90%022%0.22CC..EExtended strand (participates in β ladder)trans-108.7118.8177.2-178.559.8000110.6L39 F199 V201 C214 F215 V218 C220 I221 I222 F259L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 4.06Å; L37-L39 HydrophobicContact CD2-CD2 4.04Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.38Å; L37-L39 HydrophobicContact CG-CD2 3.91Å; L37-L39 HydrophobicContact CG-CG 3.94Å; L37-F199 HydrophobicContact CD1-CB 3.86Å; L37-V201 HydrophobicContact CD1-CG1 4.2Å; L37-C214 HydrophobicContact CD1-CB 3.69Å; L37-C214 HydrophobicContact CD2-CB 4.41Å; L37-F215 HydrophobicContact CD2-CD1 3.76Å; L37-F215 HydrophobicContact CD2-CE1 3.88Å; L37-V218 HydrophobicContact CB-CG1 3.78Å; L37-V218 HydrophobicContact CB-CG2 4.06Å; L37-V218 HydrophobicContact CD2-CG2 4.1Å; L37-C220 PolarHBondContact N-O 2.97Å; L37-I221 WeakPolarHBondContact O-CA 3.24Å; L37-I222 PolarHBondContact O-N 3.3Å; L37-F259 HydrophobicContact CD2-CZ 4.28Å
38L96.6Very high91.1Very high0 Ų039.3 Ų39.30%020%0.204CC..EExtended strand (participates in β ladder)trans-87.1120.7173.5-69.8105.1000111K46 I49 V50 M198 F199 V201 I222L38-K46 HydrophobicContact CB-CB 4.19Å; L38-K46 HydrophobicContact CB-CD 4.15Å; L38-K46 HydrophobicContact CB-CG 4.15Å; L38-K46 HydrophobicContact CD2-CB 4.11Å; L38-K46 HydrophobicContact CD2-CG 4.5Å; L38-I49 HydrophobicContact CD2-CB 3.98Å; L38-I49 HydrophobicContact CD2-CD1 4.24Å; L38-I49 HydrophobicContact CD2-CG2 3.93Å; L38-V50 HydrophobicContact CD1-CG2 3.65Å; L38-V50 HydrophobicContact CD2-CG2 4.31Å; L38-M198 HydrophobicContact CD1-CE 4.44Å; L38-M198 HydrophobicContact CD1-CG 3.17Å; L38-M198 HydrophobicContact CD1-SD 3.6Å; L38-M198 VanDerWaalsContact CD1-SD 3.6Å; L38-F199 PolarHBondContact N-O 3.49Å; L38-V201 WeakPolarHBondContact O-CG2 3.35Å; L38-I222 WeakPolarHBondContact CA-O 3Å; L38-I222 HydrophobicContact CG-CB 4.47Å
39L97.1Very high91.8Very high0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-121.8162.8176.6-61.4179.8000111L37 V201 W211 I221 I222 F223 C224 I253 F259L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 4.06Å; L37-L39 HydrophobicContact CD2-CD2 4.04Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.38Å; L37-L39 HydrophobicContact CG-CD2 3.91Å; L37-L39 HydrophobicContact CG-CG 3.94Å; L39-V201 HydrophobicContact CD2-CG2 3.74Å; L39-W211 HydrophobicContact CD2-CD2 3.84Å; L39-W211 HydrophobicContact CD2-CE3 3.68Å; L39-W211 HydrophobicContact CD2-CG 4.35Å; L39-W211 HydrophobicContact CD2-CH2 4.4Å; L39-W211 HydrophobicContact CD2-CZ3 3.97Å; L39-I221 HydrophobicContact CB-CG2 4.39Å; L39-I221 HydrophobicContact CD1-CD1 4.44Å; L39-I221 HydrophobicContact CD1-CG2 3.9Å; L39-I221 HydrophobicContact CG-CG2 4.22Å; L39-I222 PolarHBondContact N-O 3.04Å; L39-F223 HydrophobicContact CB-CD2 3.97Å; L39-F223 CarbonylContact O-C 3.53Å; L39-F223 WeakPolarHBondContact O-CA 3.38Å; L39-C224 PolarHBondContact O-N 2.87Å; L39-I253 HydrophobicContact CD1-CD1 3.84Å; L39-I253 HydrophobicContact CD1-CG1 4.07Å; L39-I253 HydrophobicContact CD1-CG2 3.74Å; L39-F259 HydrophobicContact CD1-CE2 4.49Å
40G97Very high92.5Very high0 Ų028.5 Ų28.50%016%0.16CC..  trans138.8165.4178.800000112.8K46 G203 C224G40-K46 PolarHBondContact O-NZ 3.17Å; G40-G203 WeakPolarHBondContact O-CA 3.35Å; G40-C224 WeakPolarHBondContact CA-O 3.05Å
41A95.3Very high93.3Very high11 Ų1124.6 Ų24.69%0.09114%0.142CC..SBendtrans-60.1167.2-177.400000112.9S44 K46A41-S44 WeakPolarHBondContact O-CB 3.31Å; A41-S44 PolarHBondContact O-N 3.5Å; A41-S44 PolarHBondContact O-OG 2.88Å; A41-S44 VanDerWaalsContact O-OG 3.06Å; A41-K46 PolarHBondContact O-NZ 2.89Å
42G91.5Very high94.1Very high27 Ų2720.4 Ų20.428%0.27811%0.107SC..THydrogen-bonded Turntrans-53.2144.1170.600000111S44 G203G42-S44 PolarHBondContact O-N 2.77Å; G42-G203 PolarHBondContact N-O 3.3Å
43E91.9Very high94.8Very high46 Ų4612.8 Ų12.822%0.2158%0.078CC..THydrogen-bonded Turntrans61.113.5177.3-54.7169.1-161.100115.5G45 R178 R242 K270E43-G45 PolarHBondContact O-N 2.79Å; E43-R178 IonicContact OE1-CZ 3.25Å; E43-R178 IonicContact OE1-NH1 2.99Å; E43-R178 PolarHBondContact OE1-NH1 2.79Å; E43-R178 IonicContact OE1-NH2 3.28Å; E43-R178 PolarHBondContact OE1-NH2 2.85Å; E43-R178 IonicContact OE2-NH1 3.77Å; E43-R242 IonicContact OE1-NH2 3.54Å; E43-R242 IonicContact OE2-CZ 3.3Å; E43-R242 IonicContact OE2-NH1 3.45Å; E43-R242 PolarHBondContact OE2-NH1 3.4Å; E43-R242 IonicContact OE2-NH2 3.12Å; E43-R242 PolarHBondContact OE2-NH2 2.86Å; E43-K270 WeakPolarHBondContact O-CE 3.41Å; E43-K270 PolarHBondContact O-NZ 3.26Å
44S96.3Very high95.1Very high2 Ų213.8 Ų13.81%0.0148%0.081CC..SBendtrans-74.9-7.317968.60000115A41 G42 C224 N269A41-S44 WeakPolarHBondContact O-CB 3.31Å; A41-S44 PolarHBondContact O-N 3.5Å; A41-S44 PolarHBondContact O-OG 2.88Å; A41-S44 VanDerWaalsContact O-OG 3.06Å; G42-S44 PolarHBondContact O-N 2.77Å; S44-C224 WeakPolarHBondContact CB-O 3.49Å; S44-C224 WeakPolarHBondContact OG-CB 3.09Å; S44-C224 PolarHBondContact OG-O 2.87Å; S44-N269 PolarHBondContact O-ND2 2.63Å
45G96.1Very high95.3Very high10 Ų1014.8 Ų14.810%0.1039%0.086CC..SBendtrans10211.4176.300000116.1E43 S47 T48 I49E43-G45 PolarHBondContact O-N 2.79Å; G45-S47 PolarHBondContact O-N 3.37Å; G45-T48 WeakPolarHBondContact O-CB 3.2Å; G45-T48 PolarHBondContact O-N 3.29Å; G45-I49 WeakPolarHBondContact O-CG1 3.31Å; G45-I49 PolarHBondContact O-N 2.96Å
46K96.3Very high95.4Very high9 Ų914.6 Ų14.64%0.0399%0.086CC..Hα-helixtrans-52.4-55.9177.4-62.8-178-64.1-65.50113.1L38 G40 A41 T48 I49 V50 D200 V201 C224L38-K46 HydrophobicContact CB-CB 4.19Å; L38-K46 HydrophobicContact CB-CD 4.15Å; L38-K46 HydrophobicContact CB-CG 4.15Å; L38-K46 HydrophobicContact CD2-CB 4.11Å; L38-K46 HydrophobicContact CD2-CG 4.5Å; G40-K46 PolarHBondContact O-NZ 3.17Å; A41-K46 PolarHBondContact O-NZ 2.89Å; K46-T48 PolarHBondContact O-N 3.03Å; K46-I49 WeakPolarHBondContact O-CB 3.18Å; K46-I49 PolarHBondContact O-N 3.37Å; K46-V50 PolarHBondContact O-N 2.78Å; K46-V50 VanDerWaalsContact O-N 3.08Å; K46-D200 VanDerWaalsContact CB-OD1 3.31Å; K46-D200 WeakPolarHBondContact CB-OD1 3.43Å; K46-V201 WeakPolarHBondContact CE-O 3.42Å; K46-C224 HydrophobicContact CG-CB 4.01Å
47S96.2Very high95.3Very high32 Ų3216.2 Ų16.222%0.2249%0.094CC..Hα-helixtrans-64-29.3-179.3-46.10000112.5G45 V50 K51 T181 D200G45-S47 PolarHBondContact O-N 3.37Å; S47-V50 PolarHBondContact O-N 2.84Å; S47-K51 VanDerWaalsContact O-CG 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.38Å; S47-K51 PolarHBondContact O-N 3.27Å; S47-T181 PolarHBondContact OG-OG1 3.13Å; S47-D200 WeakPolarHBondContact CA-OD2 3.17Å; S47-D200 VanDerWaalsContact CB-OD2 3.29Å; S47-D200 WeakPolarHBondContact CB-OD2 3.32Å; S47-D200 PolarHBondContact OG-OD2 3.06Å
48T97Very high95Very high25 Ų2520.7 Ų20.715%0.15311%0.113CC..Hα-helixtrans-66.4-41.5173.1-48.20000111.1G45 K46 V50 K51 Q52 L175 A326 T327G45-T48 WeakPolarHBondContact O-CB 3.2Å; G45-T48 PolarHBondContact O-N 3.29Å; K46-T48 PolarHBondContact O-N 3.03Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.01Å; T48-K51 WeakPolarHBondContact O-CB 3.17Å; T48-K51 PolarHBondContact O-N 3.05Å; T48-Q52 WeakPolarHBondContact O-CG 3.28Å; T48-Q52 PolarHBondContact O-N 3.3Å; T48-L175 HydrophobicContact CG2-CB 4.4Å; T48-L175 HydrophobicContact CG2-CD2 3.93Å; T48-A326 HydrophobicContact CG2-CB 3.75Å; T48-A326 WeakPolarHBondContact CG2-O 3.47Å; T48-T327 HydrophobicContact CG2-CG2 4.21Å
49I96.4Very high94.8Very high2 Ų228.9 Ų28.91%0.0116%0.157CC..Hα-helixtrans-62.7-39.9174.3-66.9154.2000111.1L38 G45 K46 Q52 M53 C224 F267 A326L38-I49 HydrophobicContact CD2-CB 3.98Å; L38-I49 HydrophobicContact CD2-CD1 4.24Å; L38-I49 HydrophobicContact CD2-CG2 3.93Å; G45-I49 WeakPolarHBondContact O-CG1 3.31Å; G45-I49 PolarHBondContact O-N 2.96Å; K46-I49 WeakPolarHBondContact O-CB 3.18Å; K46-I49 PolarHBondContact O-N 3.37Å; I49-Q52 WeakPolarHBondContact O-CB 3.37Å; I49-Q52 PolarHBondContact O-N 2.96Å; I49-M53 WeakPolarHBondContact O-CG 3.49Å; I49-M53 PolarHBondContact O-N 2.87Å; I49-C224 HydrophobicContact CD1-CB 4.5Å; I49-C224 WeakPolarHBondContact CD1-SG 3.46Å; I49-F267 HydrophobicContact CD1-CD2 3.64Å; I49-F267 HydrophobicContact CD1-CE2 4.14Å; I49-F267 HydrophobicContact CG1-CD2 4.48Å; I49-F267 HydrophobicContact CG2-CE2 4.48Å; I49-A326 HydrophobicContact CG1-CB 4.04Å
50V95.1Very high94.6Very high13 Ų1329.1 Ų29.18%0.07916%0.16CC..Hα-helixtrans-64.5-42.8175.9177.50000111.7L38 K46 S47 T48 Q52 M53 K54 T187 M198 D200L38-V50 HydrophobicContact CD1-CG2 3.65Å; L38-V50 HydrophobicContact CD2-CG2 4.31Å; K46-V50 PolarHBondContact O-N 2.78Å; K46-V50 VanDerWaalsContact O-N 3.08Å; S47-V50 PolarHBondContact O-N 2.84Å; T48-V50 VanDerWaalsContact C-N 3.32Å; T48-V50 PolarHBondContact O-N 3.01Å; V50-Q52 VanDerWaalsContact C-N 3.27Å; V50-Q52 PolarHBondContact O-N 2.78Å; V50-M53 PolarHBondContact O-N 3.36Å; V50-M53 VanDerWaalsContact O-N 3.16Å; V50-K54 PolarHBondContact O-N 3.36Å; V50-T187 HydrophobicContact CG1-CG2 4.33Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.44Å; V50-M198 HydrophobicContact CB-SD 4.47Å; V50-M198 HydrophobicContact CG2-CG 4.17Å; V50-M198 HydrophobicContact CG2-SD 3.78Å; V50-D200 HydrophobicContact CG2-CB 3.76Å
51K96Very high94.5Very high27 Ų2730.1 Ų30.112%0.11716%0.164CC..Hα-helixtrans-58.3-40.5172.4-70.2170.2175.8-177.80111.3S47 T48 M53 K54 I55 F61 V174 L175 S177S47-K51 VanDerWaalsContact O-CG 3.3Å; S47-K51 WeakPolarHBondContact O-CG 3.38Å; S47-K51 PolarHBondContact O-N 3.27Å; T48-K51 WeakPolarHBondContact O-CB 3.17Å; T48-K51 PolarHBondContact O-N 3.05Å; K51-M53 PolarHBondContact O-N 3.01Å; K51-K54 WeakPolarHBondContact O-CB 3.33Å; K51-K54 PolarHBondContact O-N 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.26Å; K51-I55 PolarHBondContact O-N 2.94Å; K51-I55 VanDerWaalsContact O-N 3.14Å; K51-F61 HydrophobicContact CB-CE2 4.3Å; K51-F61 HydrophobicContact CB-CZ 3.97Å; K51-F61 HydrophobicContact CG-CZ 3.98Å; K51-V174 HydrophobicContact CD-CG1 4.22Å; K51-V174 WeakPolarHBondContact CD-O 3.39Å; K51-V174 WeakPolarHBondContact CE-O 3.43Å; K51-V174 PolarHBondContact NZ-O 3.07Å; K51-L175 HydrophobicContact CB-CD2 3.82Å; K51-S177 PolarHBondContact NZ-O 3.01Å; K51-S177 PolarHBondContact NZ-OG 2.96Å
52Q96.4Very high94.6Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-62.9-39.5175.3-69.8-7515.900112.7T48 I49 V50 K54 I55 I56 L175 A326 T329 V332T48-Q52 WeakPolarHBondContact O-CG 3.28Å; T48-Q52 PolarHBondContact O-N 3.3Å; I49-Q52 WeakPolarHBondContact O-CB 3.37Å; I49-Q52 PolarHBondContact O-N 2.96Å; V50-Q52 VanDerWaalsContact C-N 3.27Å; V50-Q52 PolarHBondContact O-N 2.78Å; Q52-K54 PolarHBondContact O-N 2.7Å; Q52-I55 PolarHBondContact O-N 3.23Å; Q52-I56 HydrophobicContact CB-CD1 4.17Å; Q52-I56 WeakPolarHBondContact O-CB 3.48Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.47Å; Q52-I56 PolarHBondContact O-N 2.89Å; Q52-L175 HydrophobicContact CG-CD2 3.7Å; Q52-L175 VanDerWaalsContact NE2-CD1 3.32Å; Q52-A326 VanDerWaalsContact CG-O 3.26Å; Q52-A326 WeakPolarHBondContact CG-O 3.45Å; Q52-A326 PolarHBondContact NE2-O 3.34Å; Q52-T329 PolarHBondContact NE2-OG1 3.07Å; Q52-T329 PolarHBondContact OE1-OG1 3.16Å; Q52-V332 HydrophobicContact CB-CB 4.32Å; Q52-V332 HydrophobicContact CB-CG1 3.73Å; Q52-V332 HydrophobicContact CG-CB 4.24Å; Q52-V332 HydrophobicContact CG-CG1 4.13Å; Q52-V332 HydrophobicContact CG-CG2 4.11Å
53M94.4Very high94.8Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-60.9-34.5176.5-65.4-55.4100.600112I49 V50 K51 I56 H57 F189 M198 V332 F336I49-M53 WeakPolarHBondContact O-CG 3.49Å; I49-M53 PolarHBondContact O-N 2.87Å; V50-M53 PolarHBondContact O-N 3.36Å; V50-M53 VanDerWaalsContact O-N 3.16Å; K51-M53 PolarHBondContact O-N 3.01Å; M53-I56 HydrophobicContact CE-CD1 4.17Å; M53-H57 WeakPolarHBondContact O-CB 3.25Å; M53-H57 PolarHBondContact O-N 2.83Å; M53-F189 HydrophobicContact CB-CD1 4.09Å; M53-F189 HydrophobicContact CB-CE1 3.79Å; M53-F189 HydrophobicContact CB-CZ 4.15Å; M53-F189 HydrophobicContact CG-CE1 3.83Å; M53-F189 HydrophobicContact CG-CZ 3.89Å; M53-F189 HydrophobicContact SD-CE1 4.34Å; M53-F189 HydrophobicContact SD-CE2 4.27Å; M53-F189 HydrophobicContact SD-CZ 3.78Å; M53-M198 HydrophobicContact CB-SD 4.4Å; M53-M198 HydrophobicContact CG-CE 3.56Å; M53-M198 HydrophobicContact CG-SD 3.54Å; M53-M198 VanDerWaalsContact CG-SD 3.54Å; M53-M198 HydrophobicContact SD-CE 4.06Å; M53-V332 HydrophobicContact CE-CG1 3.59Å; M53-F336 HydrophobicContact CE-CB 4.11Å; M53-F336 HydrophobicContact CE-CD1 4.46Å; M53-F336 HydrophobicContact CE-CD2 3.86Å; M53-F336 HydrophobicContact CE-CE2 4.47Å; M53-F336 HydrophobicContact CE-CG 3.87Å; M53-F336 HydrophobicContact SD-CD1 3.91Å; M53-F336 HydrophobicContact SD-CD2 3.58Å; M53-F336 VanDerWaalsContact SD-CD2 3.58Å; M53-F336 HydrophobicContact SD-CE1 3.94Å; M53-F336 HydrophobicContact SD-CE2 3.61Å; M53-F336 HydrophobicContact SD-CG 3.74Å; M53-F336 HydrophobicContact SD-CZ 3.81Å
54K94.2Very high95Very high42 Ų4241.7 Ų41.718%0.18321%0.21CC..Hα-helixtrans-66.5-42.8173.3-169.3176.4176.2177.70112V50 K51 Q52 K58 G60 F61 E65V50-K54 PolarHBondContact O-N 3.36Å; K51-K54 WeakPolarHBondContact O-CB 3.33Å; K51-K54 PolarHBondContact O-N 3.24Å; Q52-K54 PolarHBondContact O-N 2.7Å; K54-K58 HydrophobicContact CG-CB 4.05Å; K54-K58 CarbonylContact O-C 3.48Å; K54-K58 VanDerWaalsContact O-C 3.28Å; K54-K58 VanDerWaalsContact O-CA 3.31Å; K54-K58 WeakPolarHBondContact O-CA 3.41Å; K54-K58 WeakPolarHBondContact O-CB 3.34Å; K54-K58 PolarHBondContact O-N 2.9Å; K54-G60 VanDerWaalsContact CE-O 3.27Å; K54-G60 WeakPolarHBondContact CE-O 3.46Å; K54-G60 PolarHBondContact O-N 2.95Å; K54-F61 HydrophobicContact CB-CE2 4.47Å; K54-F61 HydrophobicContact CB-CZ 4.35Å; K54-F61 HydrophobicContact CD-CD1 3.94Å; K54-F61 HydrophobicContact CD-CE1 3.62Å; K54-F61 HydrophobicContact CD-CE2 4.31Å; K54-F61 HydrophobicContact CD-CG 4.42Å; K54-F61 HydrophobicContact CD-CZ 3.81Å; K54-E65 IonicContact NZ-OE1 3.61Å; K54-E65 PolarHBondContact NZ-OE1 2.96Å; K54-E65 IonicContact NZ-OE2 3.23Å; K54-E65 PolarHBondContact NZ-OE2 3.45Å
55I95.3Very high95Very high25 Ų2544.2 Ų44.213%0.12822%0.221CC..Hα-helixtrans-62.6-47.2176.6-63.8167.6000111.6K51 Q52 F61 E171 L175 T329K51-I55 WeakPolarHBondContact O-CG1 3.26Å; K51-I55 PolarHBondContact O-N 2.94Å; K51-I55 VanDerWaalsContact O-N 3.14Å; Q52-I55 PolarHBondContact O-N 3.23Å; I55-F61 HydrophobicContact CD1-CD2 4.4Å; I55-F61 HydrophobicContact CD1-CE2 4.04Å; I55-F61 HydrophobicContact CG1-CD2 3.93Å; I55-F61 HydrophobicContact CG1-CE2 3.74Å; I55-E171 HydrophobicContact CD1-CB 4.04Å; I55-L175 HydrophobicContact CD1-CD1 3.87Å; I55-L175 HydrophobicContact CD1-CD2 3.91Å; I55-L175 HydrophobicContact CD1-CG 3.88Å; I55-T329 HydrophobicContact CG2-CG2 4.11Å
56I94.3Very high95Very high35 Ų3546.8 Ų46.818%0.17923%0.228CC..Hα-helixtrans-79.7-34.3-171.4-60.1162.4000111.6Q52 M53 T329 V332 K333Q52-I56 HydrophobicContact CB-CD1 4.17Å; Q52-I56 WeakPolarHBondContact O-CB 3.48Å; Q52-I56 VanDerWaalsContact O-CG1 3.25Å; Q52-I56 WeakPolarHBondContact O-CG1 3.47Å; Q52-I56 PolarHBondContact O-N 2.89Å; M53-I56 HydrophobicContact CE-CD1 4.17Å; I56-T329 HydrophobicContact CD1-CG2 4.31Å; I56-T329 HydrophobicContact CG1-CG2 3.86Å; I56-V332 HydrophobicContact CD1-CB 4.37Å; I56-V332 HydrophobicContact CD1-CG1 4.06Å; I56-K333 HydrophobicContact CD1-CB 3.92Å; I56-K333 HydrophobicContact CG1-CB 4.43Å; I56-K333 HydrophobicContact CG2-CB 4.32Å; I56-K333 HydrophobicContact CG2-CD 4.19Å; I56-K333 HydrophobicContact CG2-CG 3.95Å
57H91.8Very high95Very high35 Ų3549 Ų4916%0.16224%0.239CC..Hα-helixtrans-125.30.8-168.5-55.1-64.6000115.3M53 F189 F191 F336M53-H57 WeakPolarHBondContact O-CB 3.25Å; M53-H57 PolarHBondContact O-N 2.83Å; H57-F189 HydrophobicContact CB-CB 4.09Å; H57-F189 HydrophobicContact CB-CD2 3.77Å; H57-F189 HydrophobicContact CB-CG 4.18Å; H57-F189 AromaticContact CD2-CD2 3.85Å; H57-F189 AromaticContact CD2-CE2 3.78Å; H57-F189 AromaticContact CG-CD2 3.94Å; H57-F191 AromaticContact CE1-CD2 3.39Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.19Å; H57-F191 AromaticContact CE1-CE2 3.69Å; H57-F191 AromaticContact CE1-CG 3.65Å; H57-F191 AromaticContact ND1-CD2 3.53Å; H57-F191 AromaticContact ND1-CG 3.92Å; H57-F336 AromaticContact NE2-CD1 3.6Å; H57-F336 AromaticContact NE2-CE1 3.9Å
58K90.5Very high94.9Very high93 Ų9354 Ų5440%0.40426%0.259SS..SBendtrans-13939.9179.7-52-16684.1173.40113.8K54 G60 Q188 F189K54-K58 HydrophobicContact CG-CB 4.05Å; K54-K58 CarbonylContact O-C 3.48Å; K54-K58 VanDerWaalsContact O-C 3.28Å; K54-K58 VanDerWaalsContact O-CA 3.31Å; K54-K58 WeakPolarHBondContact O-CA 3.41Å; K54-K58 WeakPolarHBondContact O-CB 3.34Å; K54-K58 PolarHBondContact O-N 2.9Å; K58-G60 PolarHBondContact O-N 3.31Å; K58-Q188 WeakPolarHBondContact CD-O 3.26Å; K58-Q188 WeakPolarHBondContact CE-O 3.38Å; K58-Q188 PolarHBondContact NZ-O 3.25Å; K58-F189 HydrophobicContact CD-CB 3.99Å; K58-F189 HydrophobicContact CG-CB 3.73Å
59D91.3Very high94.8Very high173 Ų17354.5 Ų54.593%0.92526%0.259SS*.  trans57.321.7175.4-54-50.6000115.3
60G93.1Very high94.7Very high5 Ų557.1 Ų57.15%0.05227%0.269CS..  trans77.8-160.1176.500000115.1K54 K58 E171K54-G60 VanDerWaalsContact CE-O 3.27Å; K54-G60 WeakPolarHBondContact CE-O 3.46Å; K54-G60 PolarHBondContact O-N 2.95Å; K58-G60 PolarHBondContact O-N 3.31Å; G60-E171 WeakPolarHBondContact CA-OE1 3.4Å
61F95.6Very high94.6Very high21 Ų2159 Ų599%0.09228%0.282CS..  trans-100.5127.7176.8-67.8-94.5000110.5K51 K54 I55 E65 R66 F69 E171 V174K51-F61 HydrophobicContact CB-CE2 4.3Å; K51-F61 HydrophobicContact CB-CZ 3.97Å; K51-F61 HydrophobicContact CG-CZ 3.98Å; K54-F61 HydrophobicContact CB-CE2 4.47Å; K54-F61 HydrophobicContact CB-CZ 4.35Å; K54-F61 HydrophobicContact CD-CD1 3.94Å; K54-F61 HydrophobicContact CD-CE1 3.62Å; K54-F61 HydrophobicContact CD-CE2 4.31Å; K54-F61 HydrophobicContact CD-CG 4.42Å; K54-F61 HydrophobicContact CD-CZ 3.81Å; I55-F61 HydrophobicContact CD1-CD2 4.4Å; I55-F61 HydrophobicContact CD1-CE2 4.04Å; I55-F61 HydrophobicContact CG1-CD2 3.93Å; I55-F61 HydrophobicContact CG1-CE2 3.74Å; F61-E65 HydrophobicContact CB-CB 4.47Å; F61-E65 HydrophobicContact CD1-CB 4.28Å; F61-R66 HydrophobicContact CB-CG 3.54Å; F61-R66 PolarHBondContact O-NE 2.93Å; F61-F69 HydrophobicContact CD1-CE2 4.09Å; F61-F69 AromaticContact CE1-CE2 3.97Å; F61-F69 HydrophobicContact CE1-CE2 3.97Å; F61-F69 HydrophobicContact CE1-CZ 4.34Å; F61-E171 PolarHBondContact N-OE1 3.05Å; F61-V174 HydrophobicContact CD1-CG1 4.33Å; F61-V174 HydrophobicContact CD2-CG1 4.19Å; F61-V174 HydrophobicContact CE1-CG1 4.01Å; F61-V174 HydrophobicContact CE2-CG1 3.86Å; F61-V174 HydrophobicContact CG-CG1 4.42Å; F61-V174 HydrophobicContact CZ-CG1 3.78Å
62T96.5Very high94.5Very high72 Ų7259.4 Ų59.444%0.44229%0.287SS..  trans-63.4164.2175.363.90000111.2Q64 E65 R66T62-Q64 VanDerWaalsContact C-N 3.31Å; T62-Q64 PolarHBondContact O-N 3.4Å; T62-E65 PolarHBondContact N-OE2 2.91Å; T62-E65 PolarHBondContact O-N 2.67Å; T62-E65 WeakPolarHBondContact OG1-CB 3.46Å; T62-E65 VanDerWaalsContact OG1-CD 3.3Å; T62-E65 WeakPolarHBondContact OG1-CG 3.36Å; T62-E65 PolarHBondContact OG1-N 2.82Å; T62-E65 PolarHBondContact OG1-OE2 3.34Å; T62-E65 VanDerWaalsContact OG1-OE2 3.07Å; T62-R66 WeakPolarHBondContact O-CG 3.26Å; T62-R66 PolarHBondContact O-N 2.93Å
63Y96.4Very high94.4Very high126 Ų12659.4 Ų59.449%0.49429%0.287SS..Hα-helixtrans-54.5-47.9175.5176.1-90.3000111.7E65 R66 M67 V168Y63-E65 PolarHBondContact O-N 3.34Å; Y63-R66 PolarHBondContact O-N 2.83Å; Y63-M67 HydrophobicContact CD1-CG 4.11Å; Y63-M67 HydrophobicContact CE1-CG 3.68Å; Y63-M67 HydrophobicContact CE2-CG 4.34Å; Y63-M67 HydrophobicContact CE2-SD 4.47Å; Y63-M67 VanDerWaalsContact O-CG 3.3Å; Y63-M67 WeakPolarHBondContact O-CG 3.25Å; Y63-M67 PolarHBondContact O-N 3.07Å; Y63-V168 HydrophobicContact CD2-CG1 3.96Å; Y63-V168 HydrophobicContact CD2-CG2 4.45Å; Y63-V168 HydrophobicContact CE2-CB 4.43Å; Y63-V168 HydrophobicContact CE2-CG1 3.87Å; Y63-V168 HydrophobicContact CE2-CG2 3.62Å
64Q96.5Very high94.4Very high129 Ų12960 Ų6060%0.60329%0.289SS*.Hα-helixtrans-59.9-47179.9-71.180.7100111.5T62 R66 M67 E68T62-Q64 VanDerWaalsContact C-N 3.31Å; T62-Q64 PolarHBondContact O-N 3.4Å; Q64-R66 PolarHBondContact O-N 3.29Å; Q64-M67 WeakPolarHBondContact O-CB 3.37Å; Q64-M67 PolarHBondContact O-N 3.44Å; Q64-M67 VanDerWaalsContact O-N 3.15Å; Q64-E68 PolarHBondContact O-N 2.86Å; Q64-E68 VanDerWaalsContact O-N 3.12Å
65E95.6Very high94.3Very high55 Ų5560.4 Ų60.426%0.25730%0.297SS..Hα-helixtrans-64.3-39.4179.1-68.2169.5140.500112.1K54 F61 T62 Y63 M67 E68 F69K54-E65 IonicContact NZ-OE1 3.61Å; K54-E65 PolarHBondContact NZ-OE1 2.96Å; K54-E65 IonicContact NZ-OE2 3.23Å; K54-E65 PolarHBondContact NZ-OE2 3.45Å; F61-E65 HydrophobicContact CB-CB 4.47Å; F61-E65 HydrophobicContact CD1-CB 4.28Å; T62-E65 PolarHBondContact N-OE2 2.91Å; T62-E65 PolarHBondContact O-N 2.67Å; T62-E65 WeakPolarHBondContact OG1-CB 3.46Å; T62-E65 VanDerWaalsContact OG1-CD 3.3Å; T62-E65 WeakPolarHBondContact OG1-CG 3.36Å; T62-E65 PolarHBondContact OG1-N 2.82Å; T62-E65 PolarHBondContact OG1-OE2 3.34Å; T62-E65 VanDerWaalsContact OG1-OE2 3.07Å; Y63-E65 PolarHBondContact O-N 3.34Å; E65-M67 VanDerWaalsContact C-N 3.28Å; E65-M67 PolarHBondContact O-N 2.95Å; E65-E68 WeakPolarHBondContact O-CB 3.26Å; E65-E68 PolarHBondContact O-N 2.89Å; E65-F69 WeakPolarHBondContact O-CD2 3.31Å
66R96.7Very high94.3Very high64 Ų6460.1 Ų60.124%0.24230%0.296CS..Hα-helixtrans-63.4-37.3175-69.4-173.5-61130.7-8.7111.4F61 T62 Y63 Q64 E68 F69 P169 V174F61-R66 HydrophobicContact CB-CG 3.54Å; F61-R66 PolarHBondContact O-NE 2.93Å; T62-R66 WeakPolarHBondContact O-CG 3.26Å; T62-R66 PolarHBondContact O-N 2.93Å; Y63-R66 PolarHBondContact O-N 2.83Å; Q64-R66 PolarHBondContact O-N 3.29Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 3.48Å; R66-F69 PolarHBondContact O-N 3.21Å; R66-F69 VanDerWaalsContact O-N 3.17Å; R66-P169 HydrophobicContact CB-CB 4.45Å; R66-P169 VanDerWaalsContact CD-O 3.26Å; R66-P169 WeakPolarHBondContact CD-O 3.39Å; R66-P169 PolarHBondContact NH1-O 3.13Å; R66-P169 VanDerWaalsContact O-CG 3.26Å; R66-P169 WeakPolarHBondContact O-CG 3.3Å; R66-V174 HydrophobicContact CG-CG2 4.3Å
67M95.5Very high94.4Very high55 Ų5558.5 Ų58.527%0.27129%0.288SS..Hα-helixtrans-65.4-32.2176-69.8-59-64.400112.9Y63 Q64 E65 F69 R70 V168Y63-M67 HydrophobicContact CD1-CG 4.11Å; Y63-M67 HydrophobicContact CE1-CG 3.68Å; Y63-M67 HydrophobicContact CE2-CG 4.34Å; Y63-M67 HydrophobicContact CE2-SD 4.47Å; Y63-M67 VanDerWaalsContact O-CG 3.3Å; Y63-M67 WeakPolarHBondContact O-CG 3.25Å; Y63-M67 PolarHBondContact O-N 3.07Å; Q64-M67 WeakPolarHBondContact O-CB 3.37Å; Q64-M67 PolarHBondContact O-N 3.44Å; Q64-M67 VanDerWaalsContact O-N 3.15Å; E65-M67 VanDerWaalsContact C-N 3.28Å; E65-M67 PolarHBondContact O-N 2.95Å; M67-F69 PolarHBondContact O-N 3.28Å; M67-R70 VanDerWaalsContact O-CB 3.24Å; M67-R70 WeakPolarHBondContact O-CB 3.38Å; M67-R70 PolarHBondContact O-N 3.06Å; M67-V168 HydrophobicContact SD-CB 4.39Å; M67-V168 HydrophobicContact SD-CG1 4.08Å; M67-V168 HydrophobicContact SD-CG2 4.21Å
68E94.3Very high94.5Very high138 Ų13857.8 Ų57.865%0.64529%0.285SS*.Hα-helixtrans-62.4-27.4173.9-66.8170.6-17500112.6Q64 E65 R66 R70Q64-E68 PolarHBondContact O-N 2.86Å; Q64-E68 VanDerWaalsContact O-N 3.12Å; E65-E68 WeakPolarHBondContact O-CB 3.26Å; E65-E68 PolarHBondContact O-N 2.89Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 3.48Å; E68-R70 VanDerWaalsContact C-N 3.34Å
69F95.5Very high94.7Very high35 Ų3558.1 Ų58.115%0.15429%0.288CS..Hα-helixtrans-80.1-11.3175.4-71.8-78.2000113.9F61 E65 R66 M67 S71 V72 I73 V174 S177F61-F69 HydrophobicContact CD1-CE2 4.09Å; F61-F69 AromaticContact CE1-CE2 3.97Å; F61-F69 HydrophobicContact CE1-CE2 3.97Å; F61-F69 HydrophobicContact CE1-CZ 4.34Å; E65-F69 WeakPolarHBondContact O-CD2 3.31Å; R66-F69 PolarHBondContact O-N 3.21Å; R66-F69 VanDerWaalsContact O-N 3.17Å; M67-F69 PolarHBondContact O-N 3.28Å; F69-S71 PolarHBondContact O-N 3.25Å; F69-V72 WeakPolarHBondContact O-CB 3.31Å; F69-V72 PolarHBondContact O-N 3.36Å; F69-I73 HydrophobicContact CB-CD1 4.01Å; F69-I73 WeakPolarHBondContact O-CD1 3.48Å; F69-I73 VanDerWaalsContact O-CG1 3.3Å; F69-I73 WeakPolarHBondContact O-CG1 3.47Å; F69-I73 PolarHBondContact O-N 3.43Å; F69-V174 HydrophobicContact CB-CG2 4.1Å; F69-V174 HydrophobicContact CD1-CG1 4.35Å; F69-V174 HydrophobicContact CD2-CB 4.37Å; F69-V174 HydrophobicContact CD2-CG1 3.82Å; F69-V174 HydrophobicContact CD2-CG2 3.66Å; F69-V174 HydrophobicContact CE1-CG1 4.2Å; F69-V174 HydrophobicContact CE2-CG1 3.67Å; F69-V174 HydrophobicContact CE2-CG2 4.31Å; F69-V174 HydrophobicContact CG-CG1 4.18Å; F69-V174 HydrophobicContact CG-CG2 3.93Å; F69-V174 HydrophobicContact CZ-CG1 3.86Å; F69-S177 VanDerWaalsContact CD1-OG 3.31Å; F69-S177 WeakPolarHBondContact CD1-OG 3.48Å
70R94.1Very high95Very high57 Ų5750.1 Ų50.122%0.21525%0.246CC..Hα-helixtrans-59.4-50.2-173.5-173.9176.1179.2173.52111.9M67 E68 V72 I73 Y74 M164 P165 Y167 P169M67-R70 VanDerWaalsContact O-CB 3.24Å; M67-R70 WeakPolarHBondContact O-CB 3.38Å; M67-R70 PolarHBondContact O-N 3.06Å; E68-R70 VanDerWaalsContact C-N 3.34Å; R70-V72 VanDerWaalsContact C-N 3.32Å; R70-V72 PolarHBondContact O-N 2.95Å; R70-I73 PolarHBondContact O-N 3.3Å; R70-Y74 HydrophobicContact CG-CD2 4.31Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.77Å; R70-Y74 PolarHBondContact NE-OH 3.03Å; R70-Y74 PolarHBondContact NH2-OH 2.58Å; R70-Y74 PolarHBondContact O-N 3.49Å; R70-M164 PolarHBondContact NH2-O 3.22Å; R70-P165 PolarHBondContact NH1-O 2.82Å; R70-P165 PolarHBondContact NH2-O 3.19Å; R70-P165 VanDerWaalsContact NH2-O 3.16Å; R70-Y167 HydrophobicContact CG-CD1 4.21Å; R70-Y167 HydrophobicContact CG-CE1 4.32Å; R70-Y167 PolarHBondContact NH1-O 2.83Å; R70-P169 HydrophobicContact CB-CG 3.96Å; R70-P169 HydrophobicContact CG-CG 4.46Å
71S91.9Very high95.2Very high51 Ų5149.9 Ų49.936%0.35724%0.243SC..Hα-helixtrans-63.5-38.3177.958.10000112.1F69 Y74 S75F69-S71 PolarHBondContact O-N 3.25Å; S71-Y74 PolarHBondContact O-N 2.99Å; S71-S75 WeakPolarHBondContact O-CB 3.43Å; S71-S75 PolarHBondContact O-N 3.26Å
72V93.7Very high95.2Very high37 Ų3750.3 Ų50.322%0.22425%0.246CC..Hα-helixtrans-61.7-45.5175.8177.70000111F69 R70 S75 N76 V179F69-V72 WeakPolarHBondContact O-CB 3.31Å; F69-V72 PolarHBondContact O-N 3.36Å; R70-V72 VanDerWaalsContact C-N 3.32Å; R70-V72 PolarHBondContact O-N 2.95Å; V72-S75 PolarHBondContact O-N 3.4Å; V72-N76 WeakPolarHBondContact O-CB 3.35Å; V72-N76 PolarHBondContact O-N 3.48Å; V72-N76 PolarHBondContact O-ND2 3.24Å; V72-N76 PolarHBondContact O-OD1 2.86Å; V72-V179 HydrophobicContact CG1-CG2 3.6Å; V72-V179 HydrophobicContact CG2-CG2 4.25Å
73I95.5Very high95.2Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-63.4-44.9179.3-72.3156.9000110.6F69 R70 S75 N76 A77 Y155 L162 P169 D173F69-I73 HydrophobicContact CB-CD1 4.01Å; F69-I73 WeakPolarHBondContact O-CD1 3.48Å; F69-I73 VanDerWaalsContact O-CG1 3.3Å; F69-I73 WeakPolarHBondContact O-CG1 3.47Å; F69-I73 PolarHBondContact O-N 3.43Å; R70-I73 PolarHBondContact O-N 3.3Å; I73-S75 PolarHBondContact O-N 2.98Å; I73-N76 PolarHBondContact O-N 3.15Å; I73-A77 PolarHBondContact O-N 3.17Å; I73-Y155 HydrophobicContact CB-CE1 4.36Å; I73-Y155 HydrophobicContact CG1-CE1 4.24Å; I73-Y155 HydrophobicContact CG2-CD1 3.87Å; I73-Y155 HydrophobicContact CG2-CE1 3.51Å; I73-L162 HydrophobicContact CG2-CD1 4.44Å; I73-L162 HydrophobicContact CG2-CD2 4.16Å; I73-P169 HydrophobicContact CD1-CB 3.6Å; I73-P169 HydrophobicContact CD1-CG 3.74Å; I73-D173 HydrophobicContact CD1-CB 3.67Å
74Y94Very high95.3Very high13 Ų1342.7 Ų42.75%0.05121%0.214CC..Hα-helixtrans-61.3-44.9175.9-66.2-12.9000112R70 S71 N76 A77 L78 G117 M119 L162 Y167R70-Y74 HydrophobicContact CG-CD2 4.31Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.77Å; R70-Y74 PolarHBondContact NE-OH 3.03Å; R70-Y74 PolarHBondContact NH2-OH 2.58Å; R70-Y74 PolarHBondContact O-N 3.49Å; S71-Y74 PolarHBondContact O-N 2.99Å; Y74-N76 VanDerWaalsContact C-N 3.33Å; Y74-N76 PolarHBondContact O-N 2.93Å; Y74-A77 PolarHBondContact O-N 3.48Å; Y74-L78 WeakPolarHBondContact O-CB 3.44Å; Y74-L78 PolarHBondContact O-N 3.24Å; Y74-G117 WeakPolarHBondContact CD2-O 3.43Å; Y74-M119 HydrophobicContact CD1-CB 4.25Å; Y74-M119 HydrophobicContact CD1-CE 3.63Å; Y74-M119 HydrophobicContact CD1-SD 3.95Å; Y74-M119 HydrophobicContact CD2-CB 3.73Å; Y74-M119 HydrophobicContact CE1-CB 4.24Å; Y74-M119 HydrophobicContact CE1-CE 4.21Å; Y74-M119 HydrophobicContact CE1-SD 3.94Å; Y74-M119 HydrophobicContact CE2-CB 3.73Å; Y74-M119 HydrophobicContact CG-CB 3.98Å; Y74-M119 HydrophobicContact CG-CE 4.13Å; Y74-L162 HydrophobicContact CE1-CB 4.27Å; Y74-L162 WeakPolarHBondContact CE1-O 3.42Å; Y74-L162 PolarHBondContact OH-O 2.78Å; Y74-Y167 AromaticContact CE1-CD1 3.84Å; Y74-Y167 HydrophobicContact CE1-CD1 3.84Å; Y74-Y167 AromaticContact CE1-CE1 3.87Å; Y74-Y167 HydrophobicContact CE1-CE1 3.87Å; Y74-Y167 AromaticContact CZ-CD1 3.94Å; Y74-Y167 WeakPolarHBondContact OH-CD1 3.32Å
75S92.8Very high95.4Very high49 Ų4936.6 Ų36.634%0.34319%0.186SC..Hα-helixtrans-59.7-43.6174-176.90000111.4S71 V72 I73 A77 L78 Q79S71-S75 WeakPolarHBondContact O-CB 3.43Å; S71-S75 PolarHBondContact O-N 3.26Å; V72-S75 PolarHBondContact O-N 3.4Å; I73-S75 PolarHBondContact O-N 2.98Å; S75-A77 PolarHBondContact O-N 3.34Å; S75-L78 PolarHBondContact O-N 3.39Å; S75-Q79 VanDerWaalsContact O-CB 3.31Å; S75-Q79 WeakPolarHBondContact O-CB 3.32Å; S75-Q79 WeakPolarHBondContact O-CG 3.42Å; S75-Q79 PolarHBondContact O-N 2.99Å
76N95.1Very high95.4Very high20 Ų2041.8 Ų41.811%0.10721%0.207CC..Hα-helixtrans-63.4-40.4177.7-67.7173000112.7V72 I73 Y74 S80 Y155 R178V72-N76 WeakPolarHBondContact O-CB 3.35Å; V72-N76 PolarHBondContact O-N 3.48Å; V72-N76 PolarHBondContact O-ND2 3.24Å; V72-N76 PolarHBondContact O-OD1 2.86Å; I73-N76 PolarHBondContact O-N 3.15Å; Y74-N76 VanDerWaalsContact C-N 3.33Å; Y74-N76 PolarHBondContact O-N 2.93Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.08Å; N76-S80 PolarHBondContact O-OG 2.99Å; N76-Y155 HydrophobicContact CB-CD2 4.21Å; N76-Y155 HydrophobicContact CB-CE2 3.84Å; N76-R178 PolarHBondContact ND2-O 3.13Å; N76-R178 VanDerWaalsContact ND2-O 3.16Å; N76-R178 PolarHBondContact OD1-N 3.12Å; N76-R178 PolarHBondContact OD1-O 3.36Å
77A95.4Very high95.4Very high0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-64-48.2175.600000111.4I73 Y74 S75 S80 I81 M119 Y155 L159I73-A77 PolarHBondContact O-N 3.17Å; Y74-A77 PolarHBondContact O-N 3.48Å; S75-A77 PolarHBondContact O-N 3.34Å; A77-S80 WeakPolarHBondContact O-CB 3.3Å; A77-S80 PolarHBondContact O-N 2.94Å; A77-I81 PolarHBondContact O-N 3.33Å; A77-M119 HydrophobicContact CB-CE 4.1Å; A77-Y155 HydrophobicContact CB-CG 4.45Å; A77-L159 HydrophobicContact CB-CD2 4.41Å
78L94.4Very high95.5Very high20 Ų2036.4 Ų36.411%0.10519%0.185CC..Hα-helixtrans-61.6-47.2178.2178.358.3000112Y74 S75 S80 I81 L82 L107 A111 M114 L123 I127Y74-L78 WeakPolarHBondContact O-CB 3.44Å; Y74-L78 PolarHBondContact O-N 3.24Å; S75-L78 PolarHBondContact O-N 3.39Å; L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.44Å; L78-I81 HydrophobicContact CD1-CG2 4.42Å; L78-I81 WeakPolarHBondContact O-CG2 3.37Å; L78-I81 PolarHBondContact O-N 2.91Å; L78-L82 HydrophobicContact CD1-CD1 4.02Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 HydrophobicContact CG-CD1 3.88Å; L78-L82 WeakPolarHBondContact O-CB 3.38Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.93Å; L78-L107 HydrophobicContact CD1-CD1 3.71Å; L78-A111 HydrophobicContact CD1-CB 4.38Å; L78-A111 HydrophobicContact CD2-CB 4.16Å; L78-M114 HydrophobicContact CD2-SD 4.45Å; L78-L123 HydrophobicContact CD1-CD1 4.17Å; L78-L123 HydrophobicContact CD1-CD2 4.49Å; L78-I127 HydrophobicContact CD1-CD1 4.25Å
79Q94.6Very high95.6Very high101 Ų10135 Ų3547%0.47219%0.187SC..Hα-helixtrans-64.4-31.6177.7-69.3-60.1-39.500112.3S75 S83S75-Q79 VanDerWaalsContact O-CB 3.31Å; S75-Q79 WeakPolarHBondContact O-CB 3.32Å; S75-Q79 WeakPolarHBondContact O-CG 3.42Å; S75-Q79 PolarHBondContact O-N 2.99Å; Q79-S83 VanDerWaalsContact O-CB 3.32Å; Q79-S83 WeakPolarHBondContact O-CB 3.41Å; Q79-S83 PolarHBondContact O-N 2.96Å; Q79-S83 PolarHBondContact O-OG 3.26Å
80S97.1Very high95.5Very high5 Ų539.6 Ų39.64%0.03521%0.21CC..Hα-helixtrans-63.6-51.5176.2-62.60000111.2N76 A77 L78 S83 I84N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.08Å; N76-S80 PolarHBondContact O-OG 2.99Å; A77-S80 WeakPolarHBondContact O-CB 3.3Å; A77-S80 PolarHBondContact O-N 2.94Å; L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.44Å; S80-S83 PolarHBondContact O-N 3.43Å; S80-I84 WeakPolarHBondContact O-CG1 3.38Å; S80-I84 PolarHBondContact O-N 3.17Å
81I97.5Very high95.6Very high0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-66.7-39.5179.5-171.564.6000112.3A77 L78 S83 I84 V85 L107 I127 L130 I136 L156A77-I81 PolarHBondContact O-N 3.33Å; L78-I81 HydrophobicContact CD1-CG2 4.42Å; L78-I81 WeakPolarHBondContact O-CG2 3.37Å; L78-I81 PolarHBondContact O-N 2.91Å; I81-S83 VanDerWaalsContact C-N 3.28Å; I81-S83 PolarHBondContact O-N 3.46Å; I81-I84 PolarHBondContact O-N 3.37Å; I81-V85 HydrophobicContact CG1-CG2 4.37Å; I81-V85 WeakPolarHBondContact O-CG2 3.38Å; I81-V85 PolarHBondContact O-N 3.06Å; I81-L107 HydrophobicContact CG1-CD2 4.11Å; I81-L107 HydrophobicContact CG2-CD1 4.46Å; I81-L107 HydrophobicContact CG2-CD2 3.97Å; I81-I127 HydrophobicContact CB-CG2 4.06Å; I81-I127 HydrophobicContact CG1-CG2 4.12Å; I81-I127 HydrophobicContact CG2-CD1 4.12Å; I81-I127 HydrophobicContact CG2-CG1 4.01Å; I81-I127 HydrophobicContact CG2-CG2 3.95Å; I81-L130 HydrophobicContact CD1-CB 4.15Å; I81-L130 HydrophobicContact CG1-CB 4.4Å; I81-L130 HydrophobicContact CG1-CD1 4.48Å; I81-I136 HydrophobicContact CD1-CD1 4.37Å; I81-I136 HydrophobicContact CD1-CG2 4.3Å; I81-L156 HydrophobicContact CB-CD2 4.05Å
82L96.2Very high95.9Very high29 Ų2938.9 Ų38.915%0.15222%0.22CC..Hα-helixtrans-60.6-38.5175.8-73.3170.1000112L78 K86 L107 A111L78-L82 HydrophobicContact CD1-CD1 4.02Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 HydrophobicContact CG-CD1 3.88Å; L78-L82 WeakPolarHBondContact O-CB 3.38Å; L78-L82 VanDerWaalsContact O-CG 3.28Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.93Å; L82-K86 WeakPolarHBondContact O-CB 3.37Å; L82-K86 PolarHBondContact O-N 3.03Å; L82-L107 HydrophobicContact CD2-CD2 3.85Å; L82-L107 HydrophobicContact CD2-CG 3.88Å; L82-L107 HydrophobicContact CG-CD2 4.39Å; L82-A111 HydrophobicContact CD1-CB 3.69Å; L82-A111 HydrophobicContact CD2-CB 4.26Å
83S97.2Very high96.1Very high38 Ų3838.6 Ų38.627%0.26622%0.217SC..Hα-helixtrans-65.9-39.6177.6-61.20000111.8Q79 S80 I81 A87Q79-S83 VanDerWaalsContact O-CB 3.32Å; Q79-S83 WeakPolarHBondContact O-CB 3.41Å; Q79-S83 PolarHBondContact O-N 2.96Å; Q79-S83 PolarHBondContact O-OG 3.26Å; S80-S83 PolarHBondContact O-N 3.43Å; I81-S83 VanDerWaalsContact C-N 3.28Å; I81-S83 PolarHBondContact O-N 3.46Å; S83-A87 WeakPolarHBondContact O-CB 3.49Å; S83-A87 PolarHBondContact O-N 3.26Å
84I98.3Very high96.2Very high0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-68.2-47.4178.1-60.4164.6000110.5S80 I81 K86 A87 M88 W131 I136 C139 F140 Y146 L148 L156S80-I84 WeakPolarHBondContact O-CG1 3.38Å; S80-I84 PolarHBondContact O-N 3.17Å; I81-I84 PolarHBondContact O-N 3.37Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.34Å; I84-A87 CarbonylContact O-C 3.56Å; I84-A87 WeakPolarHBondContact O-CA 3.4Å; I84-A87 WeakPolarHBondContact O-CB 3.45Å; I84-A87 PolarHBondContact O-N 2.89Å; I84-M88 PolarHBondContact O-N 3.29Å; I84-W131 HydrophobicContact CD1-CE3 4.36Å; I84-W131 HydrophobicContact CD1-CZ3 3.77Å; I84-I136 HydrophobicContact CG2-CD1 4.04Å; I84-I136 HydrophobicContact CG2-CG2 4.1Å; I84-C139 HydrophobicContact CG2-CB 4.02Å; I84-C139 PolarHBondContact O-SG 3.37Å; I84-F140 HydrophobicContact CD1-CD2 3.96Å; I84-Y146 HydrophobicContact CG1-CE2 4.38Å; I84-L148 HydrophobicContact CD1-CD1 4.34Å; I84-L148 HydrophobicContact CD1-CD2 4.22Å; I84-L148 HydrophobicContact CG1-CD1 3.85Å; I84-L148 HydrophobicContact CG1-CD2 3.97Å; I84-L156 HydrophobicContact CD1-CD1 3.9Å
85V97.1Very high96.4Very high2 Ų246 Ų461%0.01226%0.256CS..Hα-helixtrans-57.2-46.8177.1166.50000111.4I81 A87 M88 E104 L107 L130 I136I81-V85 HydrophobicContact CG1-CG2 4.37Å; I81-V85 WeakPolarHBondContact O-CG2 3.38Å; I81-V85 PolarHBondContact O-N 3.06Å; V85-A87 VanDerWaalsContact C-N 3.27Å; V85-A87 PolarHBondContact O-N 2.76Å; V85-M88 WeakPolarHBondContact O-CB 3.43Å; V85-M88 PolarHBondContact O-N 3.47Å; V85-M88 VanDerWaalsContact O-N 3.16Å; V85-E104 HydrophobicContact CG1-CB 4.1Å; V85-E104 HydrophobicContact CG1-CG 3.47Å; V85-E104 VanDerWaalsContact CG1-CG 3.47Å; V85-E104 WeakPolarHBondContact CG1-OE1 3.18Å; V85-L107 HydrophobicContact CG2-CD2 4.46Å; V85-L130 HydrophobicContact CG2-CD1 4.49Å; V85-I136 HydrophobicContact CG2-CD1 3.73Å
86K96.6Very high96.6Very high163 Ų16350 Ų5071%0.70927%0.269SS*.Hα-helixtrans-60-38.5174.4-177.3176.9179.9176.50112.3L82 I84 M90L82-K86 WeakPolarHBondContact O-CB 3.37Å; L82-K86 PolarHBondContact O-N 3.03Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.34Å; K86-M90 PolarHBondContact O-N 3.47Å
87A97.6Very high96.7Very high4 Ų452.5 Ų52.53%0.03328%0.282CS..Hα-helixtrans-69.5-30.417800000112.8S83 I84 V85 T89 M90 L91 Y146S83-A87 WeakPolarHBondContact O-CB 3.49Å; S83-A87 PolarHBondContact O-N 3.26Å; I84-A87 CarbonylContact O-C 3.56Å; I84-A87 WeakPolarHBondContact O-CA 3.4Å; I84-A87 WeakPolarHBondContact O-CB 3.45Å; I84-A87 PolarHBondContact O-N 2.89Å; V85-A87 VanDerWaalsContact C-N 3.27Å; V85-A87 PolarHBondContact O-N 2.76Å; A87-T89 VanDerWaalsContact C-N 3.32Å; A87-T89 PolarHBondContact O-N 3.3Å; A87-M90 WeakPolarHBondContact O-CB 3.37Å; A87-M90 PolarHBondContact O-N 3.33Å; A87-M90 VanDerWaalsContact O-N 3.11Å; A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 VanDerWaalsContact O-CG 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.42Å; A87-L91 PolarHBondContact O-N 2.88Å; A87-Y146 HydrophobicContact CB-CD1 3.48Å; A87-Y146 VanDerWaalsContact CB-CD1 3.48Å; A87-Y146 HydrophobicContact CB-CD2 3.55Å; A87-Y146 HydrophobicContact CB-CE1 3.57Å; A87-Y146 HydrophobicContact CB-CE2 3.63Å; A87-Y146 HydrophobicContact CB-CG 3.47Å; A87-Y146 VanDerWaalsContact CB-CG 3.47Å
88M97.6Very high96.7Very high3 Ų357 Ų572%0.01531%0.311CS..Hα-helixtrans-56.9-46.8174.8-69.6-17571.900111.6I84 V85 M90 L91 G92 I93 Y95 I136 C139I84-M88 PolarHBondContact O-N 3.29Å; V85-M88 WeakPolarHBondContact O-CB 3.43Å; V85-M88 PolarHBondContact O-N 3.47Å; V85-M88 VanDerWaalsContact O-N 3.16Å; M88-M90 VanDerWaalsContact C-N 3.34Å; M88-M90 PolarHBondContact O-N 2.87Å; M88-L91 PolarHBondContact O-N 3.23Å; M88-G92 PolarHBondContact O-N 3.35Å; M88-I93 HydrophobicContact CB-CB 4.43Å; M88-I93 HydrophobicContact CE-CB 4.44Å; M88-I93 HydrophobicContact CE-CG2 4.01Å; M88-I93 WeakPolarHBondContact CE-O 2.99Å; M88-I93 PolarHBondContact O-N 2.85Å; M88-Y95 HydrophobicContact CE-CD1 3.64Å; M88-Y95 HydrophobicContact CE-CD2 4.41Å; M88-Y95 HydrophobicContact CE-CE1 3.72Å; M88-Y95 HydrophobicContact CE-CE2 4.47Å; M88-Y95 HydrophobicContact CE-CG 4Å; M88-Y95 HydrophobicContact SD-CD1 4.01Å; M88-Y95 HydrophobicContact SD-CE1 3.47Å; M88-Y95 WeakPolarHBondContact SD-CE1 3.3Å; M88-I136 HydrophobicContact CE-CG1 4.45Å; M88-I136 HydrophobicContact CG-CD1 4.32Å; M88-I136 HydrophobicContact SD-CB 4.43Å; M88-I136 HydrophobicContact SD-CD1 3.21Å; M88-I136 WeakPolarHBondContact SD-CD1 3.39Å; M88-I136 HydrophobicContact SD-CG1 3.56Å; M88-I136 VanDerWaalsContact SD-CG1 3.56Å; M88-C139 HydrophobicContact CG-CB 3.63Å
89T94.6Very high96.7Very high109 Ų10958.5 Ų58.567%0.66933%0.326SS*.Hα-helixtrans-61.1-43.3175.7-62.70000111.4A87 L91 G92A87-T89 VanDerWaalsContact C-N 3.32Å; A87-T89 PolarHBondContact O-N 3.3Å; T89-L91 VanDerWaalsContact C-N 3.35Å; T89-L91 PolarHBondContact O-N 3.14Å; T89-G92 PolarHBondContact O-N 2.77Å
90M94.6Very high96.8Very high130 Ų13055.1 Ų55.164%0.6431%0.309SS*.Hα-helixtrans-64.3-38179.8-174.2178-142.800112.8K86 A87 M88K86-M90 PolarHBondContact O-N 3.47Å; A87-M90 WeakPolarHBondContact O-CB 3.37Å; A87-M90 PolarHBondContact O-N 3.33Å; A87-M90 VanDerWaalsContact O-N 3.11Å; M88-M90 VanDerWaalsContact C-N 3.34Å; M88-M90 PolarHBondContact O-N 2.87Å
91L96.8Very high96.7Very high35 Ų3558.7 Ų58.718%0.18333%0.327CS..Hα-helixtrans-91.6-1.8-177.2-61.5-178.4000113.2A87 M88 T89 I93 R142 E145 Y146A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 VanDerWaalsContact O-CG 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.42Å; A87-L91 PolarHBondContact O-N 2.88Å; M88-L91 PolarHBondContact O-N 3.23Å; T89-L91 VanDerWaalsContact C-N 3.35Å; T89-L91 PolarHBondContact O-N 3.14Å; L91-I93 VanDerWaalsContact C-N 3.31Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.88Å; L91-I93 HydrophobicContact CD1-CD1 4.03Å; L91-I93 PolarHBondContact O-N 3.29Å; L91-R142 HydrophobicContact CD1-CB 4.14Å; L91-E145 HydrophobicContact CD2-CB 4.25Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.34Å; L91-Y146 HydrophobicContact CD1-CD1 4.11Å; L91-Y146 HydrophobicContact CD1-CE1 4.1Å
92G96.9Very high96.7Very high59 Ų5963.2 Ų63.261%0.60835%0.348SS*.THydrogen-bonded Turntrans64.931.5-177.600000113.6M88 T89M88-G92 PolarHBondContact O-N 3.35Å; T89-G92 PolarHBondContact O-N 2.77Å
93I97.8Very high96.7Very high30 Ų3062.9 Ų62.915%0.15435%0.347CS..PPolyproline II helixtrans-91.8123.5180-57.3172.7000108.4M88 L91 G135 C139M88-I93 HydrophobicContact CB-CB 4.43Å; M88-I93 HydrophobicContact CE-CB 4.44Å; M88-I93 HydrophobicContact CE-CG2 4.01Å; M88-I93 WeakPolarHBondContact CE-O 2.99Å; M88-I93 PolarHBondContact O-N 2.85Å; L91-I93 VanDerWaalsContact C-N 3.31Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.88Å; L91-I93 HydrophobicContact CD1-CD1 4.03Å; L91-I93 PolarHBondContact O-N 3.29Å; I93-G135 WeakPolarHBondContact CG2-O 3.38Å; I93-C139 HydrophobicContact CD1-CB 3.71Å
94N97.7Very high96.6Very high140 Ų14063 Ų6375%0.74934%0.343SS*.PPolyproline II helixtrans-84.5152174.9-63.9-44.9000110.7
95Y98Very high96.4Very high30 Ų3068.5 Ų68.512%0.11837%0.367CS..PPolyproline II helixtrans-62.1144.5164.4-64.5-75000110.7M88 N97 R100 I101 E104 L130 I136M88-Y95 HydrophobicContact CE-CD1 3.64Å; M88-Y95 HydrophobicContact CE-CD2 4.41Å; M88-Y95 HydrophobicContact CE-CE1 3.72Å; M88-Y95 HydrophobicContact CE-CE2 4.47Å; M88-Y95 HydrophobicContact CE-CG 4Å; M88-Y95 HydrophobicContact SD-CD1 4.01Å; M88-Y95 HydrophobicContact SD-CE1 3.47Å; M88-Y95 WeakPolarHBondContact SD-CE1 3.3Å; Y95-N97 WeakPolarHBondContact CB-O 3.47Å; Y95-R100 HydrophobicContact CD1-CB 3.37Å; Y95-R100 HydrophobicContact CD1-CG 3.99Å; Y95-R100 HydrophobicContact CD2-CB 4.22Å; Y95-R100 HydrophobicContact CE1-CB 3.83Å; Y95-R100 HydrophobicContact CG-CB 3.59Å; Y95-R100 HydrophobicContact CG-CG 4.41Å; Y95-I101 HydrophobicContact CD2-CG1 3.69Å; Y95-I101 HydrophobicContact CE2-CG1 4.16Å; Y95-E104 WeakPolarHBondContact CE2-OE2 3.31Å; Y95-E104 PolarHBondContact OH-OE2 2.79Å; Y95-E104 VanDerWaalsContact OH-OE2 3.07Å; Y95-L130 HydrophobicContact CE1-CD2 3.92Å; Y95-I136 HydrophobicContact CD1-CG1 4.27Å; Y95-I136 HydrophobicContact CE1-CD1 4Å; Y95-I136 HydrophobicContact CE1-CG1 3.85Å
96E97.7Very high96.3Very high132 Ų13271.3 Ų71.362%0.61738%0.38SS*.SBendtrans-70.2-44.2170.3-176.6-175.8-15600110.1P98 D133 Q134E96-P98 WeakPolarHBondContact O-CD 3.46Å; E96-D133 PolarHBondContact N-OD1 2.8Å; E96-D133 PolarHBondContact N-OD2 2.89Å; E96-D133 VanDerWaalsContact N-OD2 3.16Å; E96-Q134 HydrophobicContact CB-CB 4.19Å; E96-Q134 WeakPolarHBondContact OE2-CB 3.33Å; E96-Q134 WeakPolarHBondContact OE2-CG 3.21Å
97N96.6Very high96.2Very high73 Ų7363.5 Ų63.539%0.3935%0.346SS..SBendtrans-98.5114.2173.7-178.1-6.3000110.6Y95 A99 R100 D133Y95-N97 WeakPolarHBondContact CB-O 3.47Å; N97-A99 PolarHBondContact O-N 3.21Å; N97-A99 VanDerWaalsContact OD1-CB 3.27Å; N97-A99 WeakPolarHBondContact OD1-CB 3.45Å; N97-A99 PolarHBondContact OD1-N 3.3Å; N97-R100 HydrophobicContact CB-CG 4.16Å; N97-R100 VanDerWaalsContact O-CB 3.31Å; N97-R100 WeakPolarHBondContact O-CB 3.3Å; N97-R100 VanDerWaalsContact O-CG 3.29Å; N97-R100 WeakPolarHBondContact O-CG 3.24Å; N97-R100 PolarHBondContact O-N 2.88Å; N97-D133 PolarHBondContact N-OD2 3.43Å
98P95.1Very high95.9Very high94 Ų9465.8 Ų65.861%0.6136%0.361SS*.THydrogen-bonded Turntrans-57.9-22.1179.2-2635.3000114.8E96 R100 I101E96-P98 WeakPolarHBondContact O-CD 3.46Å; P98-R100 PolarHBondContact O-N 3.38Å; P98-I101 WeakPolarHBondContact O-CB 3.49Å; P98-I101 WeakPolarHBondContact O-CG1 3.43Å; P98-I101 PolarHBondContact O-N 2.88Å
99A95.3Very high95.6Very high51 Ų5168.5 Ų68.542%0.42138%0.384SS..THydrogen-bonded Turntrans-60.8-27.5175.400000112.7N97 I101 E102 D103N97-A99 PolarHBondContact O-N 3.21Å; N97-A99 VanDerWaalsContact OD1-CB 3.27Å; N97-A99 WeakPolarHBondContact OD1-CB 3.45Å; N97-A99 PolarHBondContact OD1-N 3.3Å; A99-I101 PolarHBondContact O-N 2.96Å; A99-E102 PolarHBondContact O-N 3.15Å; A99-E102 VanDerWaalsContact O-N 3.1Å; A99-D103 PolarHBondContact O-N 3.14Å
100R97.1Very high95.3Very high30 Ų3065.1 Ų65.111%0.11336%0.361CS..Hα-helixtrans-62.1-22.1178.2-61.5-61.784.1132.8-6.5113.9Y95 N97 P98 E102 D103 E104 Q129 L130 D133Y95-R100 HydrophobicContact CD1-CB 3.37Å; Y95-R100 HydrophobicContact CD1-CG 3.99Å; Y95-R100 HydrophobicContact CD2-CB 4.22Å; Y95-R100 HydrophobicContact CE1-CB 3.83Å; Y95-R100 HydrophobicContact CG-CB 3.59Å; Y95-R100 HydrophobicContact CG-CG 4.41Å; N97-R100 HydrophobicContact CB-CG 4.16Å; N97-R100 VanDerWaalsContact O-CB 3.31Å; N97-R100 WeakPolarHBondContact O-CB 3.3Å; N97-R100 VanDerWaalsContact O-CG 3.29Å; N97-R100 WeakPolarHBondContact O-CG 3.24Å; N97-R100 PolarHBondContact O-N 2.88Å; P98-R100 PolarHBondContact O-N 3.38Å; R100-E102 PolarHBondContact O-N 3.04Å; R100-D103 IonicContact CZ-OD2 2.66Å; R100-D103 IonicContact NE-OD2 2.88Å; R100-D103 PolarHBondContact NE-OD2 2.8Å; R100-D103 IonicContact NH2-OD2 3.08Å; R100-D103 PolarHBondContact NH2-OD2 3.29Å; R100-D103 PolarHBondContact O-N 2.91Å; R100-E104 PolarHBondContact O-N 3.38Å; R100-Q129 VanDerWaalsContact CD-O 3.26Å; R100-Q129 WeakPolarHBondContact CD-O 3.43Å; R100-Q129 VanDerWaalsContact NH1-CB 3.3Å; R100-Q129 PolarHBondContact NH1-O 3.13Å; R100-L130 HydrophobicContact CB-CD2 3.96Å; R100-L130 HydrophobicContact CG-CD2 4.46Å; R100-D133 HydrophobicContact CG-CB 4.02Å; R100-D133 WeakPolarHBondContact CG-OD2 3.22Å
101I95.6Very high94.9Very high81 Ų8160.3 Ų60.342%0.41534%0.342SS..Hα-helixtrans-60.2-38.4174.9-63.2170.4000110.6Y95 P98 A99 K105Y95-I101 HydrophobicContact CD2-CG1 3.69Å; Y95-I101 HydrophobicContact CE2-CG1 4.16Å; P98-I101 WeakPolarHBondContact O-CB 3.49Å; P98-I101 WeakPolarHBondContact O-CG1 3.43Å; P98-I101 PolarHBondContact O-N 2.88Å; A99-I101 PolarHBondContact O-N 2.96Å; I101-K105 WeakPolarHBondContact O-CG 3.24Å; I101-K105 PolarHBondContact O-N 3.48Å
102E95.9Very high94.2Very high94 Ų9464.7 Ų64.744%0.43937%0.37SS..Hα-helixtrans-76.7-35.3177.3-166.256-149.400111.3A99 R100 E104 K105 Q106A99-E102 PolarHBondContact O-N 3.15Å; A99-E102 VanDerWaalsContact O-N 3.1Å; R100-E102 PolarHBondContact O-N 3.04Å; E102-E104 VanDerWaalsContact C-N 3.33Å; E102-E104 PolarHBondContact O-N 3Å; E102-K105 PolarHBondContact O-N 2.82Å; E102-K105 IonicContact OE2-NZ 2.64Å; E102-K105 PolarHBondContact OE2-NZ 2.8Å; E102-Q106 WeakPolarHBondContact O-CG 3.32Å; E102-Q106 PolarHBondContact O-N 2.85Å
103D96.2Very high93.3Very high23 Ų2366 Ų6612%0.12338%0.375CS..Hα-helixtrans-63.1-38.9175-61.2-36.7000111.8A99 R100 Q106 L107 L126 L130A99-D103 PolarHBondContact O-N 3.14Å; R100-D103 IonicContact CZ-OD2 2.66Å; R100-D103 IonicContact NE-OD2 2.88Å; R100-D103 PolarHBondContact NE-OD2 2.8Å; R100-D103 IonicContact NH2-OD2 3.08Å; R100-D103 PolarHBondContact NH2-OD2 3.29Å; R100-D103 PolarHBondContact O-N 2.91Å; D103-Q106 PolarHBondContact O-N 2.92Å; D103-L107 VanDerWaalsContact O-CB 3.31Å; D103-L107 WeakPolarHBondContact O-CB 3.36Å; D103-L107 PolarHBondContact O-N 3.27Å; D103-L126 HydrophobicContact CB-CD2 3.82Å; D103-L126 WeakPolarHBondContact OD1-CD2 3.42Å; D103-L130 HydrophobicContact CB-CD1 4.49Å; D103-L130 HydrophobicContact CB-CD2 4.12Å; D103-L130 HydrophobicContact CB-CG 4.17Å
104E95.3Very high91.8Very high40 Ų4067.4 Ų67.419%0.18738%0.382CS..Hα-helixtrans-57.6-48.6171.6159.3175.6-156.700111.7V85 Y95 R100 E102 Q106 L107 C108V85-E104 HydrophobicContact CG1-CB 4.1Å; V85-E104 HydrophobicContact CG1-CG 3.47Å; V85-E104 VanDerWaalsContact CG1-CG 3.47Å; V85-E104 WeakPolarHBondContact CG1-OE1 3.18Å; Y95-E104 WeakPolarHBondContact CE2-OE2 3.31Å; Y95-E104 PolarHBondContact OH-OE2 2.79Å; Y95-E104 VanDerWaalsContact OH-OE2 3.07Å; R100-E104 PolarHBondContact O-N 3.38Å; E102-E104 VanDerWaalsContact C-N 3.33Å; E102-E104 PolarHBondContact O-N 3Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 3.37Å; E104-L107 WeakPolarHBondContact O-CB 3.26Å; E104-L107 PolarHBondContact O-N 2.89Å; E104-C108 PolarHBondContact O-N 3.18Å; E104-C108 PolarHBondContact O-SG 3.49Å
105K94.7Very high90.1Very high116 Ų11669.3 Ų69.350%0.50439%0.386SS..Hα-helixtrans-62.5-43179.9-67.9177.9-156.7154.40111.3I101 E102 C108 A109I101-K105 WeakPolarHBondContact O-CG 3.24Å; I101-K105 PolarHBondContact O-N 3.48Å; E102-K105 PolarHBondContact O-N 2.82Å; E102-K105 IonicContact OE2-NZ 2.64Å; E102-K105 PolarHBondContact OE2-NZ 2.8Å; K105-C108 PolarHBondContact O-N 3.28Å; K105-A109 WeakPolarHBondContact O-CB 3.38Å; K105-A109 PolarHBondContact O-N 3.28Å
106Q94.4Very high88.4Confident60 Ų6075.5 Ų75.528%0.2842%0.422SS..Hα-helixtrans-63-44.3176.6-70-174.731.300111.3E102 D103 E104 C108 A109 M110 L126E102-Q106 WeakPolarHBondContact O-CG 3.32Å; E102-Q106 PolarHBondContact O-N 2.85Å; D103-Q106 PolarHBondContact O-N 2.92Å; E104-Q106 VanDerWaalsContact C-N 3.33Å; E104-Q106 PolarHBondContact O-N 3.37Å; Q106-C108 PolarHBondContact O-N 3.39Å; Q106-A109 PolarHBondContact O-N 3.16Å; Q106-M110 WeakPolarHBondContact O-CB 3.5Å; Q106-M110 VanDerWaalsContact O-CG 3.3Å; Q106-M110 WeakPolarHBondContact O-CG 3.38Å; Q106-M110 PolarHBondContact O-N 2.69Å; Q106-L126 HydrophobicContact CB-CD1 3.97Å; Q106-L126 HydrophobicContact CB-CD2 4.45Å
107L93.9Very high86.7Confident0 Ų070.8 Ų70.80%041%0.408CS..Hα-helixtrans-57.1-48.4175.6179.270.8000111.3L78 I81 L82 V85 D103 E104 A109 M110 A111 L123 I127 L130L78-L107 HydrophobicContact CD1-CD1 3.71Å; I81-L107 HydrophobicContact CG1-CD2 4.11Å; I81-L107 HydrophobicContact CG2-CD1 4.46Å; I81-L107 HydrophobicContact CG2-CD2 3.97Å; L82-L107 HydrophobicContact CD2-CD2 3.85Å; L82-L107 HydrophobicContact CD2-CG 3.88Å; L82-L107 HydrophobicContact CG-CD2 4.39Å; V85-L107 HydrophobicContact CG2-CD2 4.46Å; D103-L107 VanDerWaalsContact O-CB 3.31Å; D103-L107 WeakPolarHBondContact O-CB 3.36Å; D103-L107 PolarHBondContact O-N 3.27Å; E104-L107 WeakPolarHBondContact O-CB 3.26Å; E104-L107 PolarHBondContact O-N 2.89Å; L107-A109 PolarHBondContact O-N 3.08Å; L107-M110 PolarHBondContact O-N 3.07Å; L107-A111 WeakPolarHBondContact O-CB 3.35Å; L107-A111 PolarHBondContact O-N 2.83Å; L107-L123 HydrophobicContact CD1-CD1 3.54Å; L107-I127 HydrophobicContact CD1-CD1 4.44Å; L107-I127 HydrophobicContact CD1-CG1 3.84Å; L107-L130 HydrophobicContact CB-CD1 4.23Å; L107-L130 HydrophobicContact CD2-CD1 3.61Å; L107-L130 HydrophobicContact CG-CD1 4.44Å
108C92.3Very high85.5Confident51 Ų5172.8 Ų72.835%0.34542%0.419SS..Hα-helixtrans-64.3-40.6-179.8-67.30000112.5E104 K105 Q106 T112E104-C108 PolarHBondContact O-N 3.18Å; E104-C108 PolarHBondContact O-SG 3.49Å; K105-C108 PolarHBondContact O-N 3.28Å; Q106-C108 PolarHBondContact O-N 3.39Å; C108-T112 PolarHBondContact O-N 3.14Å; C108-T112 PolarHBondContact O-OG1 3.21Å
109A90.9Very high84.8Confident61 Ų6169 Ų6950%0.50439%0.393SS..Hα-helixtrans-63.9-45.7175.900000111.4K105 Q106 L107 T112 A113K105-A109 WeakPolarHBondContact O-CB 3.38Å; K105-A109 PolarHBondContact O-N 3.28Å; Q106-A109 PolarHBondContact O-N 3.16Å; L107-A109 PolarHBondContact O-N 3.08Å; A109-T112 PolarHBondContact O-N 3.32Å; A109-A113 PolarHBondContact O-N 2.71Å
110M88.8Confident84.4Confident37 Ų3768.4 Ų68.418%0.18239%0.387CS..Hα-helixtrans-63.1-45.6176.9-70.7179.77200111.2Q106 L107 T112 A113 M114 K122 L123 L126Q106-M110 WeakPolarHBondContact O-CB 3.5Å; Q106-M110 VanDerWaalsContact O-CG 3.3Å; Q106-M110 WeakPolarHBondContact O-CG 3.38Å; Q106-M110 PolarHBondContact O-N 2.69Å; L107-M110 PolarHBondContact O-N 3.07Å; M110-T112 PolarHBondContact O-N 3.21Å; M110-T112 VanDerWaalsContact O-N 3.13Å; M110-A113 PolarHBondContact O-N 3.45Å; M110-M114 WeakPolarHBondContact O-CG 3.5Å; M110-M114 PolarHBondContact O-N 3.05Å; M110-K122 HydrophobicContact SD-CD 4.46Å; M110-L123 HydrophobicContact CE-CB 3.81Å; M110-L123 HydrophobicContact CE-CD1 4.38Å; M110-L126 HydrophobicContact SD-CD1 3.68Å
111A86.9Confident84Confident29 Ų2972 Ų7224%0.2442%0.416CS..Hα-helixtrans-59-28.7179.400000113.8L78 L82 L107L78-A111 HydrophobicContact CD1-CB 4.38Å; L78-A111 HydrophobicContact CD2-CB 4.16Å; L82-A111 HydrophobicContact CD1-CB 3.69Å; L82-A111 HydrophobicContact CD2-CB 4.26Å; L107-A111 WeakPolarHBondContact O-CB 3.35Å; L107-A111 PolarHBondContact O-N 2.83Å
112T82.1Confident83.8Confident127 Ų12773.9 Ų73.978%0.77942%0.421SS*.Hα-helixtrans-82-29.1177.7-510000112.2C108 A109 M110C108-T112 PolarHBondContact O-N 3.14Å; C108-T112 PolarHBondContact O-OG1 3.21Å; A109-T112 PolarHBondContact O-N 3.32Å; M110-T112 PolarHBondContact O-N 3.21Å; M110-T112 VanDerWaalsContact O-N 3.13Å
113A76.1Confident83.6Confident86 Ų8669.6 Ų69.671%0.71140%0.401SS*.Hα-helixtrans-93.6-11.6-17500000114A109 M110A109-A113 PolarHBondContact O-N 2.71Å; M110-A113 PolarHBondContact O-N 3.45Å
114M67.3Low83.5Confident60 Ų6068.9 Ų68.930%0.29640%0.398SS..PPolyproline II helixtrans-77.1130.9-175.9-77.917594.600112.4L78 M110 D118 L123L78-M114 HydrophobicContact CD2-SD 4.45Å; M110-M114 WeakPolarHBondContact O-CG 3.5Å; M110-M114 PolarHBondContact O-N 3.05Å; M114-D118 WeakPolarHBondContact CE-O 3.41Å; M114-L123 HydrophobicContact CE-CD2 3.62Å; M114-L123 HydrophobicContact SD-CD2 3.67Å
115E61.8Low83.4Confident180 Ų18072.7 Ų72.784%0.84142%0.416SS*.PPolyproline II helixtrans-75.1146.9158.7-67.2-177.4171.300109.3G117E115-G117 PolarHBondContact O-N 2.84Å
116D62.1Low83.5Confident160 Ų16067.8 Ų67.886%0.85640%0.395SS*.THydrogen-bonded Turntrans-53.8125.4-172.6-82.8-34.6000112.6
117G61.2Low83.6Confident33 Ų3364.9 Ų64.934%0.3438%0.381SS..THydrogen-bonded Turntrans107.15.3155.100000118.4Y74 E115Y74-G117 WeakPolarHBondContact CD2-O 3.43Å; E115-G117 PolarHBondContact O-N 2.84Å
118D71.4Confident83.7Confident115 Ų11567.9 Ų67.962%0.61539%0.394SS*.  trans-103.6141.5171.5-1648000112M114M114-D118 WeakPolarHBondContact CE-O 3.41Å
119M81.3Confident83.9Confident14 Ų1468.9 Ų68.97%0.06939%0.394CS..  trans-12175.9177.6-166.7-173.2-104.600108.4Y74 A77 V124 L159 L162 A163Y74-M119 HydrophobicContact CD1-CB 4.25Å; Y74-M119 HydrophobicContact CD1-CE 3.63Å; Y74-M119 HydrophobicContact CD1-SD 3.95Å; Y74-M119 HydrophobicContact CD2-CB 3.73Å; Y74-M119 HydrophobicContact CE1-CB 4.24Å; Y74-M119 HydrophobicContact CE1-CE 4.21Å; Y74-M119 HydrophobicContact CE1-SD 3.94Å; Y74-M119 HydrophobicContact CE2-CB 3.73Å; Y74-M119 HydrophobicContact CG-CB 3.98Å; Y74-M119 HydrophobicContact CG-CE 4.13Å; A77-M119 HydrophobicContact CB-CE 4.1Å; M119-V124 HydrophobicContact CG-CG2 3.46Å; M119-V124 VanDerWaalsContact CG-CG2 3.46Å; M119-V124 HydrophobicContact SD-CG2 3.74Å; M119-L159 HydrophobicContact CE-CD2 4.07Å; M119-L162 HydrophobicContact SD-CB 4.4Å; M119-A163 HydrophobicContact SD-CB 4.2Å
120S87.1Confident84.3Confident40 Ų4066 Ų6628%0.2837%0.37SS..  trans-57.4146.5-178.372.70000112.1K122 L123 V124S120-K122 PolarHBondContact O-N 3.33Å; S120-K122 VanDerWaalsContact O-N 3.13Å; S120-L123 WeakPolarHBondContact O-CB 3.38Å; S120-L123 PolarHBondContact O-N 2.91Å; S120-L123 WeakPolarHBondContact OG-CB 3.46Å; S120-L123 PolarHBondContact OG-N 3.09Å; S120-V124 WeakPolarHBondContact O-CG2 3.5Å; S120-V124 PolarHBondContact O-N 3.15Å
121S89.1Confident84.7Confident105 Ų10564.8 Ų64.873%0.73436%0.364SS*.Hα-helixtrans-55.5-35.5-180-48.90000112.9V124 E125S121-V124 PolarHBondContact O-N 2.7Å; S121-E125 WeakPolarHBondContact O-CB 3.48Å; S121-E125 PolarHBondContact O-N 3.5Å
122K90.9Very high85.3Confident120 Ų12068.4 Ų68.452%0.52238%0.379SS..Hα-helixtrans-63.2-43.4175.3-175.5179.2179.4-175.60112M110 S120 E125 L126M110-K122 HydrophobicContact SD-CD 4.46Å; S120-K122 PolarHBondContact O-N 3.33Å; S120-K122 VanDerWaalsContact O-N 3.13Å; K122-E125 PolarHBondContact O-N 2.91Å; K122-L126 HydrophobicContact CG-CD1 4.39Å; K122-L126 WeakPolarHBondContact O-CG 3.4Å; K122-L126 PolarHBondContact O-N 3.45Å
123L91.7Very high86Confident4 Ų462.7 Ų62.72%0.02134%0.344CS..Hα-helixtrans-62.8-46.9176.9179.364.9000110.6L78 L107 M110 M114 S120 E125 L126 I127L78-L123 HydrophobicContact CD1-CD1 4.17Å; L78-L123 HydrophobicContact CD1-CD2 4.49Å; L107-L123 HydrophobicContact CD1-CD1 3.54Å; M110-L123 HydrophobicContact CE-CB 3.81Å; M110-L123 HydrophobicContact CE-CD1 4.38Å; M114-L123 HydrophobicContact CE-CD2 3.62Å; M114-L123 HydrophobicContact SD-CD2 3.67Å; S120-L123 WeakPolarHBondContact O-CB 3.38Å; S120-L123 PolarHBondContact O-N 2.91Å; S120-L123 WeakPolarHBondContact OG-CB 3.46Å; S120-L123 PolarHBondContact OG-N 3.09Å; L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E125 PolarHBondContact O-N 3.24Å; L123-L126 PolarHBondContact O-N 2.96Å; L123-I127 HydrophobicContact CD1-CD1 4.07Å; L123-I127 HydrophobicContact CD1-CG1 4.16Å; L123-I127 HydrophobicContact CD2-CD1 4.38Å; L123-I127 HydrophobicContact CG-CD1 3.86Å; L123-I127 HydrophobicContact CG-CG1 4.3Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.26Å; L123-I127 PolarHBondContact O-N 3.11Å
124V93.3Very high87.1Confident8 Ų864 Ų645%0.04834%0.335CS..Hα-helixtrans-57-47.4179.7178.10000110.5M119 S120 S121 L126 I127 K128 L159 A163M119-V124 HydrophobicContact CG-CG2 3.46Å; M119-V124 VanDerWaalsContact CG-CG2 3.46Å; M119-V124 HydrophobicContact SD-CG2 3.74Å; S120-V124 WeakPolarHBondContact O-CG2 3.5Å; S120-V124 PolarHBondContact O-N 3.15Å; S121-V124 PolarHBondContact O-N 2.7Å; V124-L126 PolarHBondContact O-N 2.92Å; V124-I127 PolarHBondContact O-N 3.21Å; V124-K128 HydrophobicContact CG1-CD 4.07Å; V124-K128 HydrophobicContact CG1-CG 4.45Å; V124-K128 VanDerWaalsContact O-CG 3.31Å; V124-K128 WeakPolarHBondContact O-CG 3.22Å; V124-K128 PolarHBondContact O-N 2.86Å; V124-L159 HydrophobicContact CG1-CB 4.44Å; V124-A163 HydrophobicContact CB-CB 4.21Å; V124-A163 HydrophobicContact CG1-CB 3.74Å; V124-A163 HydrophobicContact CG2-CB 3.5Å
125E94.7Very high88.6Confident121 Ų12161.4 Ų61.457%0.56532%0.324SS*.Hα-helixtrans-59.9-47.3178-172.4173-168.800111.5S121 K122 L123 I127 K128 Q129S121-E125 WeakPolarHBondContact O-CB 3.48Å; S121-E125 PolarHBondContact O-N 3.5Å; K122-E125 PolarHBondContact O-N 2.91Å; L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E125 PolarHBondContact O-N 3.24Å; E125-I127 PolarHBondContact O-N 3.14Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-Q129 HydrophobicContact CG-CG 4.31Å; E125-Q129 WeakPolarHBondContact O-CB 3.18Å; E125-Q129 WeakPolarHBondContact O-CG 3.33Å; E125-Q129 PolarHBondContact O-N 3.26Å
126L95.4Very high90.3Very high12 Ų1252.9 Ų52.96%0.06328%0.284CS..Hα-helixtrans-57.5-47.1176.3-75.2170.5000112.4D103 Q106 M110 K122 L123 V124 K128 Q129 L130D103-L126 HydrophobicContact CB-CD2 3.82Å; D103-L126 WeakPolarHBondContact OD1-CD2 3.42Å; Q106-L126 HydrophobicContact CB-CD1 3.97Å; Q106-L126 HydrophobicContact CB-CD2 4.45Å; M110-L126 HydrophobicContact SD-CD1 3.68Å; K122-L126 HydrophobicContact CG-CD1 4.39Å; K122-L126 WeakPolarHBondContact O-CG 3.4Å; K122-L126 PolarHBondContact O-N 3.45Å; L123-L126 PolarHBondContact O-N 2.96Å; V124-L126 PolarHBondContact O-N 2.92Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.34Å; L126-Q129 PolarHBondContact O-N 2.82Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 3.49Å
127I96.6Very high92Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-62.3-43.1178.9-61.2177.3000110.2L78 I81 L107 L123 V124 E125 L130 W131 L156 L159L78-I127 HydrophobicContact CD1-CD1 4.25Å; I81-I127 HydrophobicContact CB-CG2 4.06Å; I81-I127 HydrophobicContact CG1-CG2 4.12Å; I81-I127 HydrophobicContact CG2-CD1 4.12Å; I81-I127 HydrophobicContact CG2-CG1 4.01Å; I81-I127 HydrophobicContact CG2-CG2 3.95Å; L107-I127 HydrophobicContact CD1-CD1 4.44Å; L107-I127 HydrophobicContact CD1-CG1 3.84Å; L123-I127 HydrophobicContact CD1-CD1 4.07Å; L123-I127 HydrophobicContact CD1-CG1 4.16Å; L123-I127 HydrophobicContact CD2-CD1 4.38Å; L123-I127 HydrophobicContact CG-CD1 3.86Å; L123-I127 HydrophobicContact CG-CG1 4.3Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.26Å; L123-I127 PolarHBondContact O-N 3.11Å; V124-I127 PolarHBondContact O-N 3.21Å; E125-I127 PolarHBondContact O-N 3.14Å; I127-L130 PolarHBondContact O-N 3.17Å; I127-W131 VanDerWaalsContact O-CB 3.28Å; I127-W131 WeakPolarHBondContact O-CB 3.49Å; I127-W131 PolarHBondContact O-N 2.85Å; I127-L156 HydrophobicContact CG2-CD2 3.63Å; I127-L159 HydrophobicContact CB-CD1 4Å; I127-L159 HydrophobicContact CG2-CD1 3.36Å; I127-L159 HydrophobicContact CG2-CD2 4.28Å; I127-L159 HydrophobicContact CG2-CG 4.46Å
128K96.9Very high93.8Very high62 Ų6248.9 Ų48.927%0.2726%0.259SS..Hα-helixtrans-62.6-44177.4-72.9178.770.3175.40112.1V124 E125 L126 L130 W131 N132 L159 D160V124-K128 HydrophobicContact CG1-CD 4.07Å; V124-K128 HydrophobicContact CG1-CG 4.45Å; V124-K128 VanDerWaalsContact O-CG 3.31Å; V124-K128 WeakPolarHBondContact O-CG 3.22Å; V124-K128 PolarHBondContact O-N 2.86Å; E125-K128 PolarHBondContact O-N 3.41Å; L126-K128 VanDerWaalsContact C-N 3.33Å; L126-K128 PolarHBondContact O-N 3.34Å; K128-L130 VanDerWaalsContact C-N 3.31Å; K128-L130 PolarHBondContact O-N 2.9Å; K128-W131 PolarHBondContact O-N 3.1Å; K128-N132 WeakPolarHBondContact O-CB 3.36Å; K128-N132 VanDerWaalsContact O-CG 3.3Å; K128-N132 PolarHBondContact O-N 2.88Å; K128-N132 PolarHBondContact O-ND2 2.77Å; K128-L159 HydrophobicContact CG-CB 4.16Å; K128-L159 HydrophobicContact CG-CD1 3.89Å; K128-D160 WeakPolarHBondContact CD-OD1 3.44Å; K128-D160 WeakPolarHBondContact CE-OD1 3.03Å; K128-D160 WeakPolarHBondContact CE-OD2 3.48Å; K128-D160 IonicContact NZ-OD1 2.78Å; K128-D160 PolarHBondContact NZ-OD1 3.03Å; K128-D160 IonicContact NZ-OD2 2.82Å; K128-D160 PolarHBondContact NZ-OD2 3.14Å
129Q97.3Very high95.1Very high73 Ų7343.4 Ų43.434%0.34123%0.23SC..Hα-helixtrans-61.1-41178.8-76.4-53.5-32.300111.7R100 E125 L126R100-Q129 VanDerWaalsContact CD-O 3.26Å; R100-Q129 WeakPolarHBondContact CD-O 3.43Å; R100-Q129 VanDerWaalsContact NH1-CB 3.3Å; R100-Q129 PolarHBondContact NH1-O 3.13Å; E125-Q129 HydrophobicContact CG-CG 4.31Å; E125-Q129 WeakPolarHBondContact O-CB 3.18Å; E125-Q129 WeakPolarHBondContact O-CG 3.33Å; E125-Q129 PolarHBondContact O-N 3.26Å; L126-Q129 PolarHBondContact O-N 2.82Å
130L98.1Very high95.9Very high0 Ų045.3 Ų45.30%024%0.238CC..Hα-helixtrans-69.3-48.4173-71.6165.9000111.7I81 V85 Y95 R100 D103 L107 L126 I127 K128 N132 D133 I136I81-L130 HydrophobicContact CD1-CB 4.15Å; I81-L130 HydrophobicContact CG1-CB 4.4Å; I81-L130 HydrophobicContact CG1-CD1 4.48Å; V85-L130 HydrophobicContact CG2-CD1 4.49Å; Y95-L130 HydrophobicContact CE1-CD2 3.92Å; R100-L130 HydrophobicContact CB-CD2 3.96Å; R100-L130 HydrophobicContact CG-CD2 4.46Å; D103-L130 HydrophobicContact CB-CD1 4.49Å; D103-L130 HydrophobicContact CB-CD2 4.12Å; D103-L130 HydrophobicContact CB-CG 4.17Å; L107-L130 HydrophobicContact CB-CD1 4.23Å; L107-L130 HydrophobicContact CD2-CD1 3.61Å; L107-L130 HydrophobicContact CG-CD1 4.44Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 3.49Å; I127-L130 PolarHBondContact O-N 3.17Å; K128-L130 VanDerWaalsContact C-N 3.31Å; K128-L130 PolarHBondContact O-N 2.9Å; L130-N132 PolarHBondContact O-N 3.31Å; L130-D133 VanDerWaalsContact O-CB 3.32Å; L130-D133 WeakPolarHBondContact O-CB 3.41Å; L130-D133 PolarHBondContact O-N 3.27Å; L130-I136 VanDerWaalsContact O-CB 3.28Å; L130-I136 WeakPolarHBondContact O-CB 3.32Å; L130-I136 VanDerWaalsContact O-CG1 3.26Å; L130-I136 WeakPolarHBondContact O-CG1 3.42Å; L130-I136 WeakPolarHBondContact O-CG2 3.38Å
131W98.2Very high96.3Very high12 Ų1247.5 Ų47.55%0.04526%0.259CS..Hα-helixtrans-58.9-33.6-177.6-174.9-125.3000112.8I84 I127 K128 D133 I136 Q137 F140 L156 N157I84-W131 HydrophobicContact CD1-CE3 4.36Å; I84-W131 HydrophobicContact CD1-CZ3 3.77Å; I127-W131 VanDerWaalsContact O-CB 3.28Å; I127-W131 WeakPolarHBondContact O-CB 3.49Å; I127-W131 PolarHBondContact O-N 2.85Å; K128-W131 PolarHBondContact O-N 3.1Å; W131-D133 VanDerWaalsContact C-N 3.32Å; W131-D133 PolarHBondContact O-N 2.99Å; W131-I136 HydrophobicContact CE3-CG2 3.73Å; W131-I136 HydrophobicContact CZ3-CG2 4.19Å; W131-Q137 VanDerWaalsContact CE2-NE2 3.26Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.32Å; W131-Q137 PolarHBondContact O-NE2 2.63Å; W131-F140 HydrophobicContact CH2-CB 4.11Å; W131-F140 AromaticContact CH2-CD1 3.69Å; W131-F140 HydrophobicContact CH2-CD1 3.69Å; W131-F140 AromaticContact CH2-CD2 3.86Å; W131-F140 HydrophobicContact CH2-CD2 3.86Å; W131-F140 HydrophobicContact CH2-CE1 4.07Å; W131-F140 HydrophobicContact CH2-CE2 4.24Å; W131-F140 AromaticContact CH2-CG 3.58Å; W131-F140 HydrophobicContact CH2-CG 3.58Å; W131-F140 HydrophobicContact CH2-CZ 4.35Å; W131-F140 HydrophobicContact CZ3-CB 3.96Å; W131-F140 HydrophobicContact CZ3-CD1 4.4Å; W131-F140 HydrophobicContact CZ3-CD2 4.11Å; W131-F140 AromaticContact CZ3-CG 3.89Å; W131-F140 HydrophobicContact CZ3-CG 3.89Å; W131-L156 HydrophobicContact CD2-CB 3.7Å; W131-L156 HydrophobicContact CD2-CD1 3.94Å; W131-L156 HydrophobicContact CD2-CG 4.4Å; W131-L156 HydrophobicContact CE3-CB 4.25Å; W131-L156 HydrophobicContact CE3-CD1 3.59Å; W131-L156 HydrophobicContact CG-CB 3.94Å; W131-L156 HydrophobicContact CH2-CD1 4.16Å; W131-L156 HydrophobicContact CZ2-CB 4.06Å; W131-L156 HydrophobicContact CZ2-CD1 4.45Å; W131-L156 HydrophobicContact CZ3-CD1 3.74Å; W131-N157 PolarHBondContact NE1-OD1 3.49Å
132N97.9Very high96.6Very high105 Ų10547 Ų4756%0.56124%0.241SC*.THydrogen-bonded Turntrans-79.4-7.3178.1-69.9-29.3000114.7K128 L130K128-N132 WeakPolarHBondContact O-CB 3.36Å; K128-N132 VanDerWaalsContact O-CG 3.3Å; K128-N132 PolarHBondContact O-N 2.88Å; K128-N132 PolarHBondContact O-ND2 2.77Å; L130-N132 PolarHBondContact O-N 3.31Å
133D98.6Very high96.9Very high7 Ų742.2 Ų42.24%0.03722%0.224CC..SBendtrans-72.9134.7177.1-175.1-89.2000111.1E96 N97 R100 L130 W131 G135 I136 Q137E96-D133 PolarHBondContact N-OD1 2.8Å; E96-D133 PolarHBondContact N-OD2 2.89Å; E96-D133 VanDerWaalsContact N-OD2 3.16Å; N97-D133 PolarHBondContact N-OD2 3.43Å; R100-D133 HydrophobicContact CG-CB 4.02Å; R100-D133 WeakPolarHBondContact CG-OD2 3.22Å; L130-D133 VanDerWaalsContact O-CB 3.32Å; L130-D133 WeakPolarHBondContact O-CB 3.41Å; L130-D133 PolarHBondContact O-N 3.27Å; W131-D133 VanDerWaalsContact C-N 3.32Å; W131-D133 PolarHBondContact O-N 2.99Å; D133-G135 VanDerWaalsContact C-N 3.26Å; D133-G135 PolarHBondContact O-N 3.23Å; D133-G135 VanDerWaalsContact OD1-CA 3.27Å; D133-G135 WeakPolarHBondContact OD1-CA 3.41Å; D133-G135 PolarHBondContact OD1-N 3.43Å; D133-I136 HydrophobicContact CB-CB 4.3Å; D133-I136 HydrophobicContact CB-CG1 4.23Å; D133-I136 WeakPolarHBondContact O-CB 3.28Å; D133-I136 PolarHBondContact O-N 3.46Å; D133-I136 VanDerWaalsContact O-N 3.12Å; D133-I136 PolarHBondContact OD1-N 2.87Å; D133-Q137 PolarHBondContact O-N 3.35Å
134Q98.3Very high97Very high113 Ų11343.5 Ų43.553%0.52824%0.235SC..Hα-helixtrans-68.7-25-177.3-62.9-61.3-45.100113.1E96 Q137 A138E96-Q134 HydrophobicContact CB-CB 4.19Å; E96-Q134 WeakPolarHBondContact OE2-CB 3.33Å; E96-Q134 WeakPolarHBondContact OE2-CG 3.21Å; Q134-Q137 PolarHBondContact O-N 3.11Å; Q134-A138 VanDerWaalsContact O-CB 3.25Å; Q134-A138 WeakPolarHBondContact O-CB 3.49Å; Q134-A138 PolarHBondContact O-N 2.94Å
135G98.3Very high97.1Very high6 Ų648 Ų486%0.06226%0.255CS..Hα-helixtrans-65.4-41.5170.800000111.9I93 D133 A138 C139I93-G135 WeakPolarHBondContact CG2-O 3.38Å; D133-G135 VanDerWaalsContact C-N 3.26Å; D133-G135 PolarHBondContact O-N 3.23Å; D133-G135 VanDerWaalsContact OD1-CA 3.27Å; D133-G135 WeakPolarHBondContact OD1-CA 3.41Å; D133-G135 PolarHBondContact OD1-N 3.43Å; G135-A138 PolarHBondContact O-N 2.7Å; G135-C139 WeakPolarHBondContact O-CB 3.47Å; G135-C139 PolarHBondContact O-N 3.33Å
136I98.4Very high97.1Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-64.4-45.4173.9-73-83.3000110.7I81 I84 V85 M88 Y95 L130 W131 D133 A138 C139 F140I81-I136 HydrophobicContact CD1-CD1 4.37Å; I81-I136 HydrophobicContact CD1-CG2 4.3Å; I84-I136 HydrophobicContact CG2-CD1 4.04Å; I84-I136 HydrophobicContact CG2-CG2 4.1Å; V85-I136 HydrophobicContact CG2-CD1 3.73Å; M88-I136 HydrophobicContact CE-CG1 4.45Å; M88-I136 HydrophobicContact CG-CD1 4.32Å; M88-I136 HydrophobicContact SD-CB 4.43Å; M88-I136 HydrophobicContact SD-CD1 3.21Å; M88-I136 WeakPolarHBondContact SD-CD1 3.39Å; M88-I136 HydrophobicContact SD-CG1 3.56Å; M88-I136 VanDerWaalsContact SD-CG1 3.56Å; Y95-I136 HydrophobicContact CD1-CG1 4.27Å; Y95-I136 HydrophobicContact CE1-CD1 4Å; Y95-I136 HydrophobicContact CE1-CG1 3.85Å; L130-I136 VanDerWaalsContact O-CB 3.28Å; L130-I136 WeakPolarHBondContact O-CB 3.32Å; L130-I136 VanDerWaalsContact O-CG1 3.26Å; L130-I136 WeakPolarHBondContact O-CG1 3.42Å; L130-I136 WeakPolarHBondContact O-CG2 3.38Å; W131-I136 HydrophobicContact CE3-CG2 3.73Å; W131-I136 HydrophobicContact CZ3-CG2 4.19Å; D133-I136 HydrophobicContact CB-CB 4.3Å; D133-I136 HydrophobicContact CB-CG1 4.23Å; D133-I136 WeakPolarHBondContact O-CB 3.28Å; D133-I136 PolarHBondContact O-N 3.46Å; D133-I136 VanDerWaalsContact O-N 3.12Å; D133-I136 PolarHBondContact OD1-N 2.87Å; I136-A138 PolarHBondContact O-N 3.16Å; I136-C139 WeakPolarHBondContact O-CB 3.07Å; I136-C139 PolarHBondContact O-N 2.86Å; I136-F140 WeakPolarHBondContact O-CB 3.33Å; I136-F140 PolarHBondContact O-N 3.07Å
137Q98.4Very high97.1Very high60 Ų6045.6 Ų45.628%0.2824%0.243SC..Hα-helixtrans-63-40.6176.9-69.7-60.5-46.300112.4W131 D133 Q134 C139 F140 A141W131-Q137 VanDerWaalsContact CE2-NE2 3.26Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.32Å; W131-Q137 PolarHBondContact O-NE2 2.63Å; D133-Q137 PolarHBondContact O-N 3.35Å; Q134-Q137 PolarHBondContact O-N 3.11Å; Q137-C139 VanDerWaalsContact C-N 3.33Å; Q137-C139 PolarHBondContact O-N 3.41Å; Q137-F140 PolarHBondContact O-N 3.22Å; Q137-A141 PolarHBondContact O-N 3.35Å
138A98Very high97.1Very high49 Ų4946.3 Ų46.341%0.40525%0.247SC..Hα-helixtrans-63.6-38.6174.200000112.1Q134 G135 I136 A141Q134-A138 VanDerWaalsContact O-CB 3.25Å; Q134-A138 WeakPolarHBondContact O-CB 3.49Å; Q134-A138 PolarHBondContact O-N 2.94Å; G135-A138 PolarHBondContact O-N 2.7Å; I136-A138 PolarHBondContact O-N 3.16Å; A138-A141 PolarHBondContact O-N 3.45Å
139C98.3Very high96.9Very high0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-67.4-39.3173.8-170.80000112.1I84 M88 I93 G135 I136 Q137 R142 Y146I84-C139 HydrophobicContact CG2-CB 4.02Å; I84-C139 PolarHBondContact O-SG 3.37Å; M88-C139 HydrophobicContact CG-CB 3.63Å; I93-C139 HydrophobicContact CD1-CB 3.71Å; G135-C139 WeakPolarHBondContact O-CB 3.47Å; G135-C139 PolarHBondContact O-N 3.33Å; I136-C139 WeakPolarHBondContact O-CB 3.07Å; I136-C139 PolarHBondContact O-N 2.86Å; Q137-C139 VanDerWaalsContact C-N 3.33Å; Q137-C139 PolarHBondContact O-N 3.41Å; C139-R142 CarbonylContact O-C 3.6Å; C139-R142 PolarHBondContact O-N 2.8Å; C139-R142 VanDerWaalsContact O-N 3.17Å; C139-Y146 WeakPolarHBondContact O-CE1 3.28Å; C139-Y146 PolarHBondContact O-OH 3.24Å
140F98Very high96.8Very high54 Ų5443.5 Ų43.524%0.23724%0.239CC..Hα-helixtrans-64.7-38175.1179.3-106.9000112.2I84 W131 I136 Q137 R142 A143 L148 A152 A153I84-F140 HydrophobicContact CD1-CD2 3.96Å; W131-F140 HydrophobicContact CH2-CB 4.11Å; W131-F140 AromaticContact CH2-CD1 3.69Å; W131-F140 HydrophobicContact CH2-CD1 3.69Å; W131-F140 AromaticContact CH2-CD2 3.86Å; W131-F140 HydrophobicContact CH2-CD2 3.86Å; W131-F140 HydrophobicContact CH2-CE1 4.07Å; W131-F140 HydrophobicContact CH2-CE2 4.24Å; W131-F140 AromaticContact CH2-CG 3.58Å; W131-F140 HydrophobicContact CH2-CG 3.58Å; W131-F140 HydrophobicContact CH2-CZ 4.35Å; W131-F140 HydrophobicContact CZ3-CB 3.96Å; W131-F140 HydrophobicContact CZ3-CD1 4.4Å; W131-F140 HydrophobicContact CZ3-CD2 4.11Å; W131-F140 AromaticContact CZ3-CG 3.89Å; W131-F140 HydrophobicContact CZ3-CG 3.89Å; I136-F140 WeakPolarHBondContact O-CB 3.33Å; I136-F140 PolarHBondContact O-N 3.07Å; Q137-F140 PolarHBondContact O-N 3.22Å; F140-R142 PolarHBondContact O-N 3.11Å; F140-R142 VanDerWaalsContact O-N 3.1Å; F140-A143 WeakPolarHBondContact O-CB 3.41Å; F140-A143 PolarHBondContact O-N 3.39Å; F140-L148 HydrophobicContact CD2-CD2 3.53Å; F140-L148 HydrophobicContact CE2-CD2 3.56Å; F140-A152 HydrophobicContact CE2-CB 4.13Å; F140-A153 HydrophobicContact CE1-CB 4.11Å; F140-A153 HydrophobicContact CE2-CB 4.46Å; F140-A153 HydrophobicContact CZ-CB 3.65Å
141A96.1Very high96.7Very high86 Ų8644.2 Ų44.271%0.71124%0.244SC*.Hα-helixtrans-60.1-21.9174.400000113.3Q137 A138Q137-A141 PolarHBondContact O-N 3.35Å; A138-A141 PolarHBondContact O-N 3.45Å
142R96Very high96.6Very high94 Ų9443.6 Ų43.636%0.35524%0.241SC..THydrogen-bonded Turntrans-100.721.3176-64.6174.166-170.8-1.4113L91 C139 F140 A144 E145 Y146L91-R142 HydrophobicContact CD1-CB 4.14Å; C139-R142 CarbonylContact O-C 3.6Å; C139-R142 PolarHBondContact O-N 2.8Å; C139-R142 VanDerWaalsContact O-N 3.17Å; F140-R142 PolarHBondContact O-N 3.11Å; F140-R142 VanDerWaalsContact O-N 3.1Å; R142-A144 PolarHBondContact O-N 3.19Å; R142-E145 WeakPolarHBondContact CB-OE1 3.38Å; R142-E145 IonicContact CZ-OE1 3.22Å; R142-E145 IonicContact CZ-OE2 3.85Å; R142-E145 IonicContact NE-OE1 2.61Å; R142-E145 PolarHBondContact NE-OE1 3.13Å; R142-E145 IonicContact NE-OE2 2.88Å; R142-E145 IonicContact NH2-OE1 3.19Å; R142-E145 PolarHBondContact NH2-OE1 3.18Å; R142-E145 IonicContact NH2-OE2 2.82Å; R142-E145 PolarHBondContact NH2-OE2 3.03Å; R142-E145 WeakPolarHBondContact O-CB 3.27Å; R142-E145 PolarHBondContact O-N 3.04Å; R142-Y146 WeakPolarHBondContact O-CE1 3.17Å
143A96.1Very high96.6Very high21 Ų2139.8 Ų39.817%0.17422%0.224CC..G310 helixtrans-57-17.9-176.100000115.4F140 E145 L148F140-A143 WeakPolarHBondContact O-CB 3.41Å; F140-A143 PolarHBondContact O-N 3.39Å; A143-E145 VanDerWaalsContact C-N 3.26Å; A143-E145 PolarHBondContact O-N 3.31Å; A143-L148 HydrophobicContact CB-CB 4.36Å; A143-L148 HydrophobicContact CB-CD2 3.68Å
144A94.1Very high96.5Very high30 Ų3041.8 Ų41.825%0.24823%0.232CC..G310 helixtrans-69.4-21.817400000113.6R142 Y146 D231R142-A144 PolarHBondContact O-N 3.19Å; A144-Y146 VanDerWaalsContact C-N 3.29Å; A144-Y146 PolarHBondContact O-N 3.32Å; A144-D231 WeakPolarHBondContact CB-OD2 3.29Å
145E94.8Very high96.4Very high103 Ų10336.4 Ų36.448%0.48121%0.207SC..G310 helixtrans-80.9-8.6-177.7-62.8179.6-131.900113.3L91 R142 A143L91-E145 HydrophobicContact CD2-CB 4.25Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.34Å; R142-E145 WeakPolarHBondContact CB-OE1 3.38Å; R142-E145 IonicContact CZ-OE1 3.22Å; R142-E145 IonicContact CZ-OE2 3.85Å; R142-E145 IonicContact NE-OE1 2.61Å; R142-E145 PolarHBondContact NE-OE1 3.13Å; R142-E145 IonicContact NE-OE2 2.88Å; R142-E145 IonicContact NH2-OE1 3.19Å; R142-E145 PolarHBondContact NH2-OE1 3.18Å; R142-E145 IonicContact NH2-OE2 2.82Å; R142-E145 PolarHBondContact NH2-OE2 3.03Å; R142-E145 WeakPolarHBondContact O-CB 3.27Å; R142-E145 PolarHBondContact O-N 3.04Å; A143-E145 VanDerWaalsContact C-N 3.26Å; A143-E145 PolarHBondContact O-N 3.31Å
146Y95.7Very high96.4Very high21 Ų2136.3 Ų36.38%0.08221%0.205CC..SBendtrans-144.1176.8178.658.9-85.2000111.5I84 A87 L91 C139 R142 A144 L148I84-Y146 HydrophobicContact CG1-CE2 4.38Å; A87-Y146 HydrophobicContact CB-CD1 3.48Å; A87-Y146 VanDerWaalsContact CB-CD1 3.48Å; A87-Y146 HydrophobicContact CB-CD2 3.55Å; A87-Y146 HydrophobicContact CB-CE1 3.57Å; A87-Y146 HydrophobicContact CB-CE2 3.63Å; A87-Y146 HydrophobicContact CB-CG 3.47Å; A87-Y146 VanDerWaalsContact CB-CG 3.47Å; L91-Y146 HydrophobicContact CD1-CD1 4.11Å; L91-Y146 HydrophobicContact CD1-CE1 4.1Å; C139-Y146 WeakPolarHBondContact O-CE1 3.28Å; C139-Y146 PolarHBondContact O-OH 3.24Å; R142-Y146 WeakPolarHBondContact O-CE1 3.17Å; A144-Y146 VanDerWaalsContact C-N 3.29Å; A144-Y146 PolarHBondContact O-N 3.32Å; Y146-L148 HydrophobicContact CD2-CB 4.14Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.39Å; Y146-L148 HydrophobicContact CE2-CD2 4.11Å; Y146-L148 HydrophobicContact CE2-CG 4.33Å; Y146-L148 PolarHBondContact O-N 3.39Å
147Q94.9Very high96.4Very high62 Ų6241.5 Ų41.529%0.2923%0.232SC..  trans-89.1103.3-176.9-57.6-60-3500109.4V233 V235Q147-V233 PolarHBondContact NE2-O 3.47Å; Q147-V235 HydrophobicContact CG-CG2 4.07Å
148L96.2Very high96.2Very high15 Ų1541.7 Ų41.78%0.07924%0.235CC..  trans-126.7146.6176.4-171.462.4000110.7I84 F140 A143 Y146 A152I84-L148 HydrophobicContact CD1-CD1 4.34Å; I84-L148 HydrophobicContact CD1-CD2 4.22Å; I84-L148 HydrophobicContact CG1-CD1 3.85Å; I84-L148 HydrophobicContact CG1-CD2 3.97Å; F140-L148 HydrophobicContact CD2-CD2 3.53Å; F140-L148 HydrophobicContact CE2-CD2 3.56Å; A143-L148 HydrophobicContact CB-CB 4.36Å; A143-L148 HydrophobicContact CB-CD2 3.68Å; Y146-L148 HydrophobicContact CD2-CB 4.14Å; Y146-L148 HydrophobicContact CE2-CB 3.84Å; Y146-L148 HydrophobicContact CE2-CD1 4.39Å; Y146-L148 HydrophobicContact CE2-CD2 4.11Å; Y146-L148 HydrophobicContact CE2-CG 4.33Å; Y146-L148 PolarHBondContact O-N 3.39Å; L148-A152 HydrophobicContact CD1-CB 3.95Å; L148-A152 HydrophobicContact CD2-CB 3.97Å; L148-A152 HydrophobicContact CG-CB 3.9Å
149S93.9Very high96.1Very high22 Ų2239.4 Ų39.415%0.15422%0.216CC..  trans-71.7136.8173.3-169.70000110.6S151 A152S149-S151 PolarHBondContact O-N 2.99Å; S149-A152 WeakPolarHBondContact O-CB 3.47Å; S149-A152 PolarHBondContact O-N 3.34Å
150D93.9Very high95.8Very high54 Ų5444 Ų4429%0.28924%0.241SC..THydrogen-bonded Turntrans-60.5-28.6176.3-59.4-57.1000112.7A152 K270 L273D150-A152 PolarHBondContact O-N 3.05Å; D150-K270 WeakPolarHBondContact OD2-CE 3.49Å; D150-K270 IonicContact OD2-NZ 2.78Å; D150-K270 PolarHBondContact OD2-NZ 3.4Å; D150-L273 HydrophobicContact CB-CD1 3.65Å
151S96.1Very high95.7Very high14 Ų1445.5 Ų45.510%0.09825%0.245CC..THydrogen-bonded Turntrans-78.64.6177.4-54.90000113.9S149 A153 Y154 Y155 H176S149-S151 PolarHBondContact O-N 2.99Å; S151-A153 PolarHBondContact O-N 2.94Å; S151-Y154 WeakPolarHBondContact O-CB 3.35Å; S151-Y154 PolarHBondContact O-N 3.23Å; S151-Y155 WeakPolarHBondContact O-CD2 3.44Å; S151-Y155 PolarHBondContact O-N 2.86Å; S151-H176 WeakPolarHBondContact CB-O 3.25Å; S151-H176 PolarHBondContact OG-ND1 3.11Å; S151-H176 PolarHBondContact OG-O 2.91Å
152A97.3Very high95.6Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-56.6-52.6-176.400000112.1F140 L148 S149 D150 Y154 Y155 L156F140-A152 HydrophobicContact CE2-CB 4.13Å; L148-A152 HydrophobicContact CD1-CB 3.95Å; L148-A152 HydrophobicContact CD2-CB 3.97Å; L148-A152 HydrophobicContact CG-CB 3.9Å; S149-A152 WeakPolarHBondContact O-CB 3.47Å; S149-A152 PolarHBondContact O-N 3.34Å; D150-A152 PolarHBondContact O-N 3.05Å; A152-Y154 VanDerWaalsContact C-N 3.33Å; A152-Y154 PolarHBondContact O-N 3.04Å; A152-Y155 PolarHBondContact O-N 2.81Å; A152-L156 WeakPolarHBondContact O-CB 3.45Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 2.91Å
153A96.9Very high95.4Very high24 Ų2438.4 Ų38.420%0.19821%0.206CC..Hα-helixtrans-62.8-38.7178.400000112.6F140 S151 Y155 L156 N157F140-A153 HydrophobicContact CE1-CB 4.11Å; F140-A153 HydrophobicContact CE2-CB 4.46Å; F140-A153 HydrophobicContact CZ-CB 3.65Å; S151-A153 PolarHBondContact O-N 2.94Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 2.97Å; A153-L156 PolarHBondContact O-N 3.31Å; A153-N157 WeakPolarHBondContact O-CB 3.33Å; A153-N157 PolarHBondContact O-N 3.09Å; A153-N157 PolarHBondContact O-ND2 3.38Å
154Y97.5Very high95.2Very high49 Ų4942 Ų4219%0.19222%0.221CC..Hα-helixtrans-54.8-47.1177.7174.3-91.7000111.4S151 A152 Q172 D173 H176S151-Y154 WeakPolarHBondContact O-CB 3.35Å; S151-Y154 PolarHBondContact O-N 3.23Å; A152-Y154 VanDerWaalsContact C-N 3.33Å; A152-Y154 PolarHBondContact O-N 3.04Å; Y154-Q172 HydrophobicContact CE2-CG 3.89Å; Y154-D173 VanDerWaalsContact CE1-OD1 3.28Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.35Å; Y154-D173 PolarHBondContact OH-N 3.04Å; Y154-D173 PolarHBondContact OH-OD1 2.93Å; Y154-H176 HydrophobicContact CD1-CB 3.76Å; Y154-H176 AromaticContact CD1-CG 3.7Å; Y154-H176 AromaticContact CD1-ND1 3.97Å; Y154-H176 AromaticContact CD2-CD2 3.96Å; Y154-H176 AromaticContact CD2-CE1 3.81Å; Y154-H176 AromaticContact CD2-NE2 3.81Å; Y154-H176 HydrophobicContact CE1-CB 3.89Å; Y154-H176 AromaticContact CE1-CG 3.96Å; Y154-H176 AromaticContact CE2-CD2 3.87Å; Y154-H176 AromaticContact CE2-NE2 3.99Å; Y154-H176 HydrophobicContact CG-CB 4.33Å; Y154-H176 AromaticContact CG-CE1 3.9Å; Y154-H176 AromaticContact CG-CG 3.78Å; Y154-H176 AromaticContact CG-ND1 3.64Å; Y154-H176 AromaticContact CZ-CD2 3.99Å
155Y96.4Very high95Very high1 Ų145.9 Ų45.90%0.00424%0.244CC..Hα-helixtrans-77.2-43.1179.4-65.5-52.5000113.5I73 N76 A77 S151 A152 A153 N157 D158 L159 L162 D173 H176 S177I73-Y155 HydrophobicContact CB-CE1 4.36Å; I73-Y155 HydrophobicContact CG1-CE1 4.24Å; I73-Y155 HydrophobicContact CG2-CD1 3.87Å; I73-Y155 HydrophobicContact CG2-CE1 3.51Å; N76-Y155 HydrophobicContact CB-CD2 4.21Å; N76-Y155 HydrophobicContact CB-CE2 3.84Å; A77-Y155 HydrophobicContact CB-CG 4.45Å; S151-Y155 WeakPolarHBondContact O-CD2 3.44Å; S151-Y155 PolarHBondContact O-N 2.86Å; A152-Y155 PolarHBondContact O-N 2.81Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 2.97Å; Y155-N157 VanDerWaalsContact C-N 3.32Å; Y155-N157 PolarHBondContact O-N 2.97Å; Y155-D158 CarbonylContact O-C 3.28Å; Y155-D158 PolarHBondContact O-N 3.08Å; Y155-L159 PolarHBondContact O-N 3.28Å; Y155-L162 HydrophobicContact CD1-CD1 3.8Å; Y155-L162 HydrophobicContact CG-CD1 4.37Å; Y155-D173 PolarHBondContact OH-O 3.45Å; Y155-H176 HydrophobicContact CE1-CB 4.48Å; Y155-H176 HydrophobicContact CE2-CB 4.49Å; Y155-H176 PolarHBondContact OH-O 3.19Å; Y155-S177 WeakPolarHBondContact OH-CA 3.39Å; Y155-S177 PolarHBondContact OH-N 3.25Å
156L97.4Very high94.8Very high4 Ų446.7 Ų46.72%0.02125%0.251CS..Hα-helixtrans-69.8-29.9-173.7-65174.9000112.6I81 I84 I127 W131 A152 A153 D158 L159I81-L156 HydrophobicContact CB-CD2 4.05Å; I84-L156 HydrophobicContact CD1-CD1 3.9Å; I127-L156 HydrophobicContact CG2-CD2 3.63Å; W131-L156 HydrophobicContact CD2-CB 3.7Å; W131-L156 HydrophobicContact CD2-CD1 3.94Å; W131-L156 HydrophobicContact CD2-CG 4.4Å; W131-L156 HydrophobicContact CE3-CB 4.25Å; W131-L156 HydrophobicContact CE3-CD1 3.59Å; W131-L156 HydrophobicContact CG-CB 3.94Å; W131-L156 HydrophobicContact CH2-CD1 4.16Å; W131-L156 HydrophobicContact CZ2-CB 4.06Å; W131-L156 HydrophobicContact CZ2-CD1 4.45Å; W131-L156 HydrophobicContact CZ3-CD1 3.74Å; A152-L156 WeakPolarHBondContact O-CB 3.45Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 2.91Å; A153-L156 PolarHBondContact O-N 3.31Å; L156-D158 VanDerWaalsContact C-N 3.33Å; L156-L159 HydrophobicContact CD2-CD1 4.19Å; L156-L159 WeakPolarHBondContact O-CD1 3.39Å; L156-L159 WeakPolarHBondContact O-CG 3.44Å
157N97.5Very high94.8Very high109 Ų10946.2 Ų46.258%0.58325%0.249SC*.Hα-helixtrans-72.7-26.7174.3-68.1-19.1000113W131 A153 Y155W131-N157 PolarHBondContact NE1-OD1 3.49Å; A153-N157 WeakPolarHBondContact O-CB 3.33Å; A153-N157 PolarHBondContact O-N 3.09Å; A153-N157 PolarHBondContact O-ND2 3.38Å; Y155-N157 VanDerWaalsContact C-N 3.32Å; Y155-N157 PolarHBondContact O-N 2.97Å
158D95.8Very high94.8Very high63 Ų6345.3 Ų45.334%0.33725%0.248SC..THydrogen-bonded Turntrans-107.716.9-173.5-90.20000113.5Y155 L156 D160 R161 L162Y155-D158 CarbonylContact O-C 3.28Å; Y155-D158 PolarHBondContact O-N 3.08Å; L156-D158 VanDerWaalsContact C-N 3.33Å; D158-D160 PolarHBondContact O-N 2.85Å; D158-R161 WeakPolarHBondContact O-CB 3.07Å; D158-R161 PolarHBondContact O-N 3.26Å; D158-R161 IonicContact OD2-CZ 3.77Å; D158-R161 IonicContact OD2-NE 3.71Å; D158-R161 PolarHBondContact OD2-NE 2.84Å; D158-R161 IonicContact OD2-NH2 3.79Å; D158-R161 PolarHBondContact OD2-NH2 3.12Å; D158-L162 WeakPolarHBondContact O-CG 3.5Å; D158-L162 PolarHBondContact O-N 2.61Å; D158-L162 VanDerWaalsContact O-N 3.14Å
159L94.4Very high94.9Very high2 Ų244.6 Ų44.61%0.0124%0.244CC..Hα-helixtrans-52.1-36.8-174.5-77.9166.2000113.9A77 M119 V124 I127 K128 Y155 L156 R161 L162 A163A77-L159 HydrophobicContact CB-CD2 4.41Å; M119-L159 HydrophobicContact CE-CD2 4.07Å; V124-L159 HydrophobicContact CG1-CB 4.44Å; I127-L159 HydrophobicContact CB-CD1 4Å; I127-L159 HydrophobicContact CG2-CD1 3.36Å; I127-L159 HydrophobicContact CG2-CD2 4.28Å; I127-L159 HydrophobicContact CG2-CG 4.46Å; K128-L159 HydrophobicContact CG-CB 4.16Å; K128-L159 HydrophobicContact CG-CD1 3.89Å; Y155-L159 PolarHBondContact O-N 3.28Å; L156-L159 HydrophobicContact CD2-CD1 4.19Å; L156-L159 WeakPolarHBondContact O-CD1 3.39Å; L156-L159 WeakPolarHBondContact O-CG 3.44Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.35Å; L159-L162 PolarHBondContact O-N 2.99Å; L159-A163 WeakPolarHBondContact O-CB 3.27Å; L159-A163 PolarHBondContact O-N 3.5Å
160D93.4Very high95Very high97 Ų9745.5 Ų45.552%0.51925%0.251SS..Hα-helixtrans-61.6-40.8178.1-73.2-38.4000112.3K128 D158K128-D160 WeakPolarHBondContact CD-OD1 3.44Å; K128-D160 WeakPolarHBondContact CE-OD1 3.03Å; K128-D160 WeakPolarHBondContact CE-OD2 3.48Å; K128-D160 IonicContact NZ-OD1 2.78Å; K128-D160 PolarHBondContact NZ-OD1 3.03Å; K128-D160 IonicContact NZ-OD2 2.82Å; K128-D160 PolarHBondContact NZ-OD2 3.14Å; D158-D160 PolarHBondContact O-N 2.85Å
161R95.3Very high95.2Very high84 Ų8446.3 Ų46.332%0.31725%0.253SS..Hα-helixtrans-68.2-42176.1-179.7-179.863.479.7-2.7111.2D158 L159 A163 M164 D173D158-R161 WeakPolarHBondContact O-CB 3.07Å; D158-R161 PolarHBondContact O-N 3.26Å; D158-R161 IonicContact OD2-CZ 3.77Å; D158-R161 IonicContact OD2-NE 3.71Å; D158-R161 PolarHBondContact OD2-NE 2.84Å; D158-R161 IonicContact OD2-NH2 3.79Å; D158-R161 PolarHBondContact OD2-NH2 3.12Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.35Å; R161-A163 VanDerWaalsContact C-N 3.29Å; R161-A163 PolarHBondContact O-N 2.85Å; R161-M164 PolarHBondContact O-N 3.34Å; R161-D173 IonicContact CZ-OD1 2.99Å; R161-D173 IonicContact CZ-OD2 2.92Å; R161-D173 IonicContact NH1-OD1 3.48Å; R161-D173 PolarHBondContact NH1-OD1 2.78Å; R161-D173 IonicContact NH1-OD2 2.7Å; R161-D173 PolarHBondContact NH1-OD2 2.75Å; R161-D173 IonicContact NH2-OD1 2.69Å; R161-D173 PolarHBondContact NH2-OD1 2.99Å; R161-D173 IonicContact NH2-OD2 3.58Å
162L93.3Very high95.3Very high0 Ų048.8 Ų48.80%026%0.262CS..Hα-helixtrans-67.9-31.2-179.1-57.7177.8000112.1I73 Y74 M119 Y155 D158 L159 M164 Y167I73-L162 HydrophobicContact CG2-CD1 4.44Å; I73-L162 HydrophobicContact CG2-CD2 4.16Å; Y74-L162 HydrophobicContact CE1-CB 4.27Å; Y74-L162 WeakPolarHBondContact CE1-O 3.42Å; Y74-L162 PolarHBondContact OH-O 2.78Å; M119-L162 HydrophobicContact SD-CB 4.4Å; Y155-L162 HydrophobicContact CD1-CD1 3.8Å; Y155-L162 HydrophobicContact CG-CD1 4.37Å; D158-L162 WeakPolarHBondContact O-CG 3.5Å; D158-L162 PolarHBondContact O-N 2.61Å; D158-L162 VanDerWaalsContact O-N 3.14Å; L159-L162 PolarHBondContact O-N 2.99Å; L162-M164 VanDerWaalsContact C-N 3.35Å; L162-Y167 HydrophobicContact CD2-CE1 4.03Å; L162-Y167 HydrophobicContact CD2-CE2 3.87Å; L162-Y167 VanDerWaalsContact CD2-CZ 3.45Å; L162-Y167 VanDerWaalsContact CD2-OH 3.26Å; L162-Y167 WeakPolarHBondContact CD2-OH 3.31Å; L162-Y167 VanDerWaalsContact O-CD1 3.31Å; L162-Y167 WeakPolarHBondContact O-CD1 2.91Å
163A91.6Very high95.3Very high31 Ų3148.8 Ų48.826%0.25626%0.262SS..THydrogen-bonded Turntrans-82.4-5.8-177.900000114.8M119 V124 L159 R161M119-A163 HydrophobicContact SD-CB 4.2Å; V124-A163 HydrophobicContact CB-CB 4.21Å; V124-A163 HydrophobicContact CG1-CB 3.74Å; V124-A163 HydrophobicContact CG2-CB 3.5Å; L159-A163 WeakPolarHBondContact O-CB 3.27Å; L159-A163 PolarHBondContact O-N 3.5Å; R161-A163 VanDerWaalsContact C-N 3.29Å; R161-A163 PolarHBondContact O-N 2.85Å
164M92.8Very high95.3Very high97 Ų9747.6 Ų47.648%0.47825%0.253SS..  trans-60137.1178.5-74.4-73.8-73.500110.8R70 R161 L162 D166 Y167R70-M164 PolarHBondContact NH2-O 3.22Å; R161-M164 PolarHBondContact O-N 3.34Å; L162-M164 VanDerWaalsContact C-N 3.35Å; M164-D166 VanDerWaalsContact C-N 3.26Å; M164-D166 PolarHBondContact O-N 2.65Å; M164-Y167 WeakPolarHBondContact O-CB 3.35Å; M164-Y167 PolarHBondContact O-N 3.15Å
165P89.1Confident95.3Very high112 Ų11245.4 Ų45.473%0.72725%0.245SC*.THydrogen-bonded Turntrans-56.9-40.1-178.4-26.835000113.3R70 Y167R70-P165 PolarHBondContact NH1-O 2.82Å; R70-P165 PolarHBondContact NH2-O 3.19Å; R70-P165 VanDerWaalsContact NH2-O 3.16Å; P165-Y167 VanDerWaalsContact C-N 3.31Å
166D92.3Very high95.4Very high119 Ų11946.8 Ų46.864%0.63625%0.251SS*.THydrogen-bonded Turntrans-90.314.9178.564.9-28.3000113.3M164 V168M164-D166 VanDerWaalsContact C-N 3.26Å; M164-D166 PolarHBondContact O-N 2.65Å; D166-V168 PolarHBondContact O-N 3.11Å; D166-V168 VanDerWaalsContact O-N 3.16Å
167Y94.4Very high95.3Very high11 Ų1147 Ų474%0.04325%0.252CS..  trans-57.4121.1176.8170.8-118.5000111.5R70 Y74 L162 M164 P165 P169 D173R70-Y167 HydrophobicContact CG-CD1 4.21Å; R70-Y167 HydrophobicContact CG-CE1 4.32Å; R70-Y167 PolarHBondContact NH1-O 2.83Å; Y74-Y167 AromaticContact CE1-CD1 3.84Å; Y74-Y167 HydrophobicContact CE1-CD1 3.84Å; Y74-Y167 AromaticContact CE1-CE1 3.87Å; Y74-Y167 HydrophobicContact CE1-CE1 3.87Å; Y74-Y167 AromaticContact CZ-CD1 3.94Å; Y74-Y167 WeakPolarHBondContact OH-CD1 3.32Å; L162-Y167 HydrophobicContact CD2-CE1 4.03Å; L162-Y167 HydrophobicContact CD2-CE2 3.87Å; L162-Y167 VanDerWaalsContact CD2-CZ 3.45Å; L162-Y167 VanDerWaalsContact CD2-OH 3.26Å; L162-Y167 WeakPolarHBondContact CD2-OH 3.31Å; L162-Y167 VanDerWaalsContact O-CD1 3.31Å; L162-Y167 WeakPolarHBondContact O-CD1 2.91Å; M164-Y167 WeakPolarHBondContact O-CB 3.35Å; M164-Y167 PolarHBondContact O-N 3.15Å; P165-Y167 VanDerWaalsContact C-N 3.31Å; Y167-P169 HydrophobicContact CE1-CG 3.81Å; Y167-P169 WeakPolarHBondContact OH-CA 3.48Å; Y167-D173 WeakPolarHBondContact OH-CB 3.32Å; Y167-D173 PolarHBondContact OH-OD2 3.29Å
168V95.6Very high95Very high43 Ų4346 Ų4626%0.26124%0.241SC..  trans-114.2120.9169.3-175.80000107Y63 M67 D166 S170Y63-V168 HydrophobicContact CD2-CG1 3.96Å; Y63-V168 HydrophobicContact CD2-CG2 4.45Å; Y63-V168 HydrophobicContact CE2-CB 4.43Å; Y63-V168 HydrophobicContact CE2-CG1 3.87Å; Y63-V168 HydrophobicContact CE2-CG2 3.62Å; M67-V168 HydrophobicContact SD-CB 4.39Å; M67-V168 HydrophobicContact SD-CG1 4.08Å; M67-V168 HydrophobicContact SD-CG2 4.21Å; D166-V168 PolarHBondContact O-N 3.11Å; D166-V168 VanDerWaalsContact O-N 3.16Å; V168-S170 PolarHBondContact O-N 3.42Å
169P97.4Very high94.8Very high0 Ų047 Ų470%025%0.249CC..  trans-51.6132.8177.1-31.338.9000112.6R66 R70 I73 Y167 D173 V174R66-P169 HydrophobicContact CB-CB 4.45Å; R66-P169 VanDerWaalsContact CD-O 3.26Å; R66-P169 WeakPolarHBondContact CD-O 3.39Å; R66-P169 PolarHBondContact NH1-O 3.13Å; R66-P169 VanDerWaalsContact O-CG 3.26Å; R66-P169 WeakPolarHBondContact O-CG 3.3Å; R70-P169 HydrophobicContact CB-CG 3.96Å; R70-P169 HydrophobicContact CG-CG 4.46Å; I73-P169 HydrophobicContact CD1-CB 3.6Å; I73-P169 HydrophobicContact CD1-CG 3.74Å; Y167-P169 HydrophobicContact CE1-CG 3.81Å; Y167-P169 WeakPolarHBondContact OH-CA 3.48Å; P169-D173 HydrophobicContact CB-CB 4.2Å; P169-V174 HydrophobicContact CB-CG2 4.46Å
170S97.4Very high94.7Very high42 Ų4252.1 Ų52.129%0.29427%0.271SS..  trans-76.9166.4169.268.50000110.6V168 Q172 D173 V174V168-S170 PolarHBondContact O-N 3.42Å; S170-Q172 PolarHBondContact O-N 3.31Å; S170-Q172 PolarHBondContact OG-N 3.25Å; S170-D173 WeakPolarHBondContact CB-OD2 3.44Å; S170-D173 PolarHBondContact N-OD2 3.3Å; S170-D173 WeakPolarHBondContact O-CB 3.41Å; S170-D173 PolarHBondContact O-N 2.94Å; S170-D173 VanDerWaalsContact O-N 3.13Å; S170-D173 PolarHBondContact OG-N 3.44Å; S170-D173 VanDerWaalsContact OG-N 3.11Å; S170-D173 PolarHBondContact OG-OD2 3.38Å; S170-V174 WeakPolarHBondContact O-CG2 3.47Å; S170-V174 PolarHBondContact O-N 2.93Å
171E97Very high94.5Very high71 Ų7148.5 Ų48.533%0.33225%0.253SS..Hα-helixtrans-60.8-32.2172-63.4-170.8136.500111.8I55 G60 F61 V174 L175I55-E171 HydrophobicContact CD1-CB 4.04Å; G60-E171 WeakPolarHBondContact CA-OE1 3.4Å; F61-E171 PolarHBondContact N-OE1 3.05Å; E171-V174 WeakPolarHBondContact O-CB 3.34Å; E171-V174 PolarHBondContact O-N 2.88Å; E171-L175 VanDerWaalsContact O-CG 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.35Å; E171-L175 PolarHBondContact O-N 2.61Å
172Q97.4Very high94.3Very high65 Ų6549 Ų4930%0.30427%0.265SS..Hα-helixtrans-64.6-42.8174-162.562.922.600111.4Y154 S170 V174 L175 H176 T327Y154-Q172 HydrophobicContact CE2-CG 3.89Å; S170-Q172 PolarHBondContact O-N 3.31Å; S170-Q172 PolarHBondContact OG-N 3.25Å; Q172-V174 VanDerWaalsContact C-N 3.26Å; Q172-V174 PolarHBondContact O-N 3.33Å; Q172-L175 PolarHBondContact O-N 2.99Å; Q172-L175 VanDerWaalsContact O-N 3.14Å; Q172-H176 PolarHBondContact NE2-CD2 2.8Å; Q172-H176 PolarHBondContact NE2-NE2 3.2Å; Q172-H176 PolarHBondContact O-CD2 2.96Å; Q172-H176 VanDerWaalsContact O-CD2 3.26Å; Q172-H176 PolarHBondContact O-N 3.47Å; Q172-T327 PolarHBondContact NE2-O 3.47Å; Q172-T327 VanDerWaalsContact NE2-O 3.15Å; Q172-T327 PolarHBondContact OE1-O 3.11Å
173D97.8Very high94.2Very high0 Ų049.8 Ų49.80%027%0.273CS..Hα-helixtrans-61.4-38.3175.5-58.4-50.1000111.5I73 Y154 Y155 R161 Y167 P169 S170 H176 S177I73-D173 HydrophobicContact CD1-CB 3.67Å; Y154-D173 VanDerWaalsContact CE1-OD1 3.28Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.35Å; Y154-D173 PolarHBondContact OH-N 3.04Å; Y154-D173 PolarHBondContact OH-OD1 2.93Å; Y155-D173 PolarHBondContact OH-O 3.45Å; R161-D173 IonicContact CZ-OD1 2.99Å; R161-D173 IonicContact CZ-OD2 2.92Å; R161-D173 IonicContact NH1-OD1 3.48Å; R161-D173 PolarHBondContact NH1-OD1 2.78Å; R161-D173 IonicContact NH1-OD2 2.7Å; R161-D173 PolarHBondContact NH1-OD2 2.75Å; R161-D173 IonicContact NH2-OD1 2.69Å; R161-D173 PolarHBondContact NH2-OD1 2.99Å; R161-D173 IonicContact NH2-OD2 3.58Å; Y167-D173 WeakPolarHBondContact OH-CB 3.32Å; Y167-D173 PolarHBondContact OH-OD2 3.29Å; P169-D173 HydrophobicContact CB-CB 4.2Å; S170-D173 WeakPolarHBondContact CB-OD2 3.44Å; S170-D173 PolarHBondContact N-OD2 3.3Å; S170-D173 WeakPolarHBondContact O-CB 3.41Å; S170-D173 PolarHBondContact O-N 2.94Å; S170-D173 VanDerWaalsContact O-N 3.13Å; S170-D173 PolarHBondContact OG-N 3.44Å; S170-D173 VanDerWaalsContact OG-N 3.11Å; S170-D173 PolarHBondContact OG-OD2 3.38Å; D173-H176 PolarHBondContact O-N 3.35Å; D173-S177 WeakPolarHBondContact O-CB 3.43Å; D173-S177 PolarHBondContact O-N 3.5Å
174V97.7Very high94.2Very high0 Ų051.6 Ų51.60%028%0.278CS..Hα-helixtrans-66.4-40.1174.8175.60000111.4K51 F61 R66 F69 P169 S170 E171 Q172 S177K51-V174 HydrophobicContact CD-CG1 4.22Å; K51-V174 WeakPolarHBondContact CD-O 3.39Å; K51-V174 WeakPolarHBondContact CE-O 3.43Å; K51-V174 PolarHBondContact NZ-O 3.07Å; F61-V174 HydrophobicContact CD1-CG1 4.33Å; F61-V174 HydrophobicContact CD2-CG1 4.19Å; F61-V174 HydrophobicContact CE1-CG1 4.01Å; F61-V174 HydrophobicContact CE2-CG1 3.86Å; F61-V174 HydrophobicContact CG-CG1 4.42Å; F61-V174 HydrophobicContact CZ-CG1 3.78Å; R66-V174 HydrophobicContact CG-CG2 4.3Å; F69-V174 HydrophobicContact CB-CG2 4.1Å; F69-V174 HydrophobicContact CD1-CG1 4.35Å; F69-V174 HydrophobicContact CD2-CB 4.37Å; F69-V174 HydrophobicContact CD2-CG1 3.82Å; F69-V174 HydrophobicContact CD2-CG2 3.66Å; F69-V174 HydrophobicContact CE1-CG1 4.2Å; F69-V174 HydrophobicContact CE2-CG1 3.67Å; F69-V174 HydrophobicContact CE2-CG2 4.31Å; F69-V174 HydrophobicContact CG-CG1 4.18Å; F69-V174 HydrophobicContact CG-CG2 3.93Å; F69-V174 HydrophobicContact CZ-CG1 3.86Å; P169-V174 HydrophobicContact CB-CG2 4.46Å; S170-V174 WeakPolarHBondContact O-CG2 3.47Å; S170-V174 PolarHBondContact O-N 2.93Å; E171-V174 WeakPolarHBondContact O-CB 3.34Å; E171-V174 PolarHBondContact O-N 2.88Å; Q172-V174 VanDerWaalsContact C-N 3.26Å; Q172-V174 PolarHBondContact O-N 3.33Å; V174-S177 PolarHBondContact O-N 3.02Å; V174-S177 PolarHBondContact O-OG 3.16Å
175L97.5Very high94.2Very high3 Ų350.8 Ų50.82%0.01628%0.275CS..Hα-helixtrans-65.5-38.5177.3-73.9170000112.3T48 K51 Q52 I55 E171 Q172 S177T48-L175 HydrophobicContact CG2-CB 4.4Å; T48-L175 HydrophobicContact CG2-CD2 3.93Å; K51-L175 HydrophobicContact CB-CD2 3.82Å; Q52-L175 HydrophobicContact CG-CD2 3.7Å; Q52-L175 VanDerWaalsContact NE2-CD1 3.32Å; I55-L175 HydrophobicContact CD1-CD1 3.87Å; I55-L175 HydrophobicContact CD1-CD2 3.91Å; I55-L175 HydrophobicContact CD1-CG 3.88Å; E171-L175 VanDerWaalsContact O-CG 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.35Å; E171-L175 PolarHBondContact O-N 2.61Å; Q172-L175 PolarHBondContact O-N 2.99Å; Q172-L175 VanDerWaalsContact O-N 3.14Å; L175-S177 VanDerWaalsContact C-N 3.29Å
176H97.4Very high94.4Very high30 Ų3048.8 Ų48.814%0.13926%0.256CS..Hα-helixtrans-76-16176.4-81.1-93.1000113.6S151 Y154 Y155 Q172 D173S151-H176 WeakPolarHBondContact CB-O 3.25Å; S151-H176 PolarHBondContact OG-ND1 3.11Å; S151-H176 PolarHBondContact OG-O 2.91Å; Y154-H176 HydrophobicContact CD1-CB 3.76Å; Y154-H176 AromaticContact CD1-CG 3.7Å; Y154-H176 AromaticContact CD1-ND1 3.97Å; Y154-H176 AromaticContact CD2-CD2 3.96Å; Y154-H176 AromaticContact CD2-CE1 3.81Å; Y154-H176 AromaticContact CD2-NE2 3.81Å; Y154-H176 HydrophobicContact CE1-CB 3.89Å; Y154-H176 AromaticContact CE1-CG 3.96Å; Y154-H176 AromaticContact CE2-CD2 3.87Å; Y154-H176 AromaticContact CE2-NE2 3.99Å; Y154-H176 HydrophobicContact CG-CB 4.33Å; Y154-H176 AromaticContact CG-CE1 3.9Å; Y154-H176 AromaticContact CG-CG 3.78Å; Y154-H176 AromaticContact CG-ND1 3.64Å; Y154-H176 AromaticContact CZ-CD2 3.99Å; Y155-H176 HydrophobicContact CE1-CB 4.48Å; Y155-H176 HydrophobicContact CE2-CB 4.49Å; Y155-H176 PolarHBondContact OH-O 3.19Å; Q172-H176 PolarHBondContact NE2-CD2 2.8Å; Q172-H176 PolarHBondContact NE2-NE2 3.2Å; Q172-H176 PolarHBondContact O-CD2 2.96Å; Q172-H176 VanDerWaalsContact O-CD2 3.26Å; Q172-H176 PolarHBondContact O-N 3.47Å; D173-H176 PolarHBondContact O-N 3.35Å
177S95.8Very high94.5Very high7 Ų744.4 Ų44.45%0.04923%0.233CC..  trans-70.8136.6-176.278.90000111.6K51 F69 Y155 D173 V174 L175K51-S177 PolarHBondContact NZ-O 3.01Å; K51-S177 PolarHBondContact NZ-OG 2.96Å; F69-S177 VanDerWaalsContact CD1-OG 3.31Å; F69-S177 WeakPolarHBondContact CD1-OG 3.48Å; Y155-S177 WeakPolarHBondContact OH-CA 3.39Å; Y155-S177 PolarHBondContact OH-N 3.25Å; D173-S177 WeakPolarHBondContact O-CB 3.43Å; D173-S177 PolarHBondContact O-N 3.5Å; V174-S177 PolarHBondContact O-N 3.02Å; V174-S177 PolarHBondContact O-OG 3.16Å; L175-S177 VanDerWaalsContact C-N 3.29Å
178R92.6Very high94.4Very high90 Ų9049 Ų4934%0.3426%0.255SS..  trans-111.3111.4-176.2-178.6179.1166.11582.3109.8E43 N76E43-R178 IonicContact OE1-CZ 3.25Å; E43-R178 IonicContact OE1-NH1 2.99Å; E43-R178 PolarHBondContact OE1-NH1 2.79Å; E43-R178 IonicContact OE1-NH2 3.28Å; E43-R178 PolarHBondContact OE1-NH2 2.85Å; E43-R178 IonicContact OE2-NH1 3.77Å; N76-R178 PolarHBondContact ND2-O 3.13Å; N76-R178 VanDerWaalsContact ND2-O 3.16Å; N76-R178 PolarHBondContact OD1-N 3.12Å; N76-R178 PolarHBondContact OD1-O 3.36Å
179V91.6Very high94.2Very high83 Ų8347.4 Ų47.450%0.50325%0.245SC..  trans-117.8130.2165.8-176.50000107.1V72 T181V72-V179 HydrophobicContact CG1-CG2 3.6Å; V72-V179 HydrophobicContact CG2-CG2 4.25Å; V179-T181 PolarHBondContact O-N 3.33Å; V179-T181 VanDerWaalsContact O-N 3.13Å
180K90.7Very high93.8Very high109 Ų10950.9 Ų50.947%0.47427%0.269SS..  trans-69.4110.7175.1174.9178.7162.8168.20108.6T182K180-T182 PolarHBondContact O-N 3.3Å
181T90.6Very high93.3Very high22 Ų2250.8 Ų50.814%0.13526%0.263CS..  trans-64.7123.2173.9-51.60000110.6S47 V179 I185S47-T181 PolarHBondContact OG-OG1 3.13Å; V179-T181 PolarHBondContact O-N 3.33Å; V179-T181 VanDerWaalsContact O-N 3.13Å; T181-I185 HydrophobicContact CG2-CD1 3.84Å; T181-I185 HydrophobicContact CG2-CG1 4.23Å
182T90.5Very high92.6Very high93 Ų9351.9 Ų51.957%0.57127%0.267SS*.  trans-116.4134172.354.40000109K180 E207K180-T182 PolarHBondContact O-N 3.3Å; T182-E207 WeakPolarHBondContact CA-OE2 3.48Å
183G90.3Very high91.9Very high18 Ų1856.5 Ų56.519%0.18629%0.294CS..SBendtrans74.3-146.5-175.800000113.9G202 E207G183-G202 PolarHBondContact O-N 2.89Å; G183-E207 PolarHBondContact N-OE2 2.91Å
184I92.4Very high91.3Very high68 Ų6858.4 Ų58.435%0.34930%0.304SS..EExtended strand (participates in β ladder)trans-122.9124.8-174-60.8154000107.1F199 V201 H213 C214I184-F199 HydrophobicContact CG2-CD1 4.12Å; I184-V201 HydrophobicContact CB-CG1 4.42Å; I184-V201 HydrophobicContact CG1-CG1 3.88Å; I184-V201 HydrophobicContact CG2-CG1 4.27Å; I184-H213 HydrophobicContact CD1-CB 4.01Å; I184-C214 WeakPolarHBondContact CD1-SG 3.15Å; I184-C214 WeakPolarHBondContact CG2-SG 3.44Å
185I92.8Very high90.9Very high80 Ų8060.9 Ų60.941%0.4132%0.317SS..EExtended strand (participates in β ladder)trans-113124.1176.1-57.4178.8000107.7T181 D200T181-I185 HydrophobicContact CG2-CD1 3.84Å; T181-I185 HydrophobicContact CG2-CG1 4.23Å; I185-D200 HydrophobicContact CB-CB 4.45Å; I185-D200 PolarHBondContact N-O 2.78Å; I185-D200 PolarHBondContact O-N 2.8Å
186E93.9Very high90.7Very high70 Ų7060.8 Ų60.833%0.32732%0.317SS..EExtended strand (participates in β ladder)trans-99.9131.8176.4-173.1-176150.800110.3Q188 R197 M198 F199E186-Q188 HydrophobicContact CG-CG 4.43Å; E186-Q188 WeakPolarHBondContact OE1-CG 3.27Å; E186-Q188 PolarHBondContact OE1-NE2 2.94Å; E186-R197 VanDerWaalsContact CD-NH2 3.29Å; E186-R197 IonicContact OE1-CZ 2.69Å; E186-R197 VanDerWaalsContact OE1-CZ 3.3Å; E186-R197 IonicContact OE1-NE 2.67Å; E186-R197 PolarHBondContact OE1-NE 2.89Å; E186-R197 IonicContact OE1-NH2 3.47Å; E186-R197 PolarHBondContact OE1-NH2 3.42Å; E186-R197 VanDerWaalsContact OE1-NH2 3.12Å; E186-R197 IonicContact OE2-CZ 3.2Å; E186-R197 IonicContact OE2-NE 3.4Å; E186-R197 IonicContact OE2-NH2 2.79Å; E186-R197 PolarHBondContact OE2-NH2 3.44Å; E186-M198 CarbonylContact C-O 3.57Å; E186-M198 WeakPolarHBondContact CA-O 3.38Å; E186-F199 HydrophobicContact CB-CD1 4.13Å; E186-F199 HydrophobicContact CB-CE1 4.1Å; E186-F199 HydrophobicContact CG-CD1 4.06Å; E186-F199 HydrophobicContact CG-CE1 3.72Å; E186-F199 HydrophobicContact CG-CZ 4.24Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.27Å
187T92.7Very high90.5Very high28 Ų2862.6 Ų62.617%0.17232%0.322CS..EExtended strand (participates in β ladder)trans-123.3130.1170.9-63.70000109.8V50 M198V50-T187 HydrophobicContact CG1-CG2 4.33Å; V50-T187 WeakPolarHBondContact CG1-OG1 3.44Å; T187-M198 PolarHBondContact N-O 2.66Å; T187-M198 PolarHBondContact O-N 2.89Å
188Q93.4Very high90.5Very high108 Ų10862.3 Ų62.351%0.50532%0.32SS..EExtended strand (participates in β ladder)trans-110.7136.4179.9-55.5-175.2-3.400110.6K58 E186 F196 R197K58-Q188 WeakPolarHBondContact CD-O 3.26Å; K58-Q188 WeakPolarHBondContact CE-O 3.38Å; K58-Q188 PolarHBondContact NZ-O 3.25Å; E186-Q188 HydrophobicContact CG-CG 4.43Å; E186-Q188 WeakPolarHBondContact OE1-CG 3.27Å; E186-Q188 PolarHBondContact OE1-NE2 2.94Å; Q188-F196 VanDerWaalsContact CA-O 3.26Å; Q188-F196 WeakPolarHBondContact CA-O 3.37Å; Q188-R197 HydrophobicContact CG-CG 4.18Å
189F92.1Very high90.6Very high9 Ų959.1 Ų59.14%0.03931%0.309CS..EExtended strand (participates in β ladder)trans-151.4162.7174.359.2-86.1000110.4M53 H57 K58 F191 F196 M198 F336M53-F189 HydrophobicContact CB-CD1 4.09Å; M53-F189 HydrophobicContact CB-CE1 3.79Å; M53-F189 HydrophobicContact CB-CZ 4.15Å; M53-F189 HydrophobicContact CG-CE1 3.83Å; M53-F189 HydrophobicContact CG-CZ 3.89Å; M53-F189 HydrophobicContact SD-CE1 4.34Å; M53-F189 HydrophobicContact SD-CE2 4.27Å; M53-F189 HydrophobicContact SD-CZ 3.78Å; H57-F189 HydrophobicContact CB-CB 4.09Å; H57-F189 HydrophobicContact CB-CD2 3.77Å; H57-F189 HydrophobicContact CB-CG 4.18Å; H57-F189 AromaticContact CD2-CD2 3.85Å; H57-F189 AromaticContact CD2-CE2 3.78Å; H57-F189 AromaticContact CG-CD2 3.94Å; K58-F189 HydrophobicContact CD-CB 3.99Å; K58-F189 HydrophobicContact CG-CB 3.73Å; F189-F191 HydrophobicContact CD2-CB 4.45Å; F189-F196 HydrophobicContact CD1-CB 4.1Å; F189-F196 HydrophobicContact CD2-CB 3.93Å; F189-F196 HydrophobicContact CD2-CD2 4.19Å; F189-F196 HydrophobicContact CD2-CG 4.28Å; F189-F196 HydrophobicContact CE1-CB 3.76Å; F189-F196 HydrophobicContact CE2-CB 3.57Å; F189-F196 HydrophobicContact CE2-CD1 4.41Å; F189-F196 AromaticContact CE2-CD2 3.8Å; F189-F196 HydrophobicContact CE2-CD2 3.8Å; F189-F196 AromaticContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CG-CB 4.18Å; F189-F196 HydrophobicContact CZ-CB 3.49Å; F189-F196 VanDerWaalsContact CZ-CB 3.49Å; F189-F196 HydrophobicContact CZ-CD1 4.33Å; F189-F196 HydrophobicContact CZ-CD2 4.45Å; F189-F196 AromaticContact CZ-CG 3.85Å; F189-F196 HydrophobicContact CZ-CG 3.85Å; F189-F196 PolarHBondContact N-O 3.27Å; F189-F196 VanDerWaalsContact N-O 3.08Å; F189-F196 PolarHBondContact O-N 3.4Å; F189-M198 HydrophobicContact CE1-CB 4.04Å; F189-M198 HydrophobicContact CE1-CE 4.07Å; F189-M198 HydrophobicContact CE1-SD 4.33Å; F189-M198 HydrophobicContact CZ-CE 4.06Å; F189-F336 AromaticContact CE2-CE1 3.82Å; F189-F336 HydrophobicContact CE2-CE1 3.82Å; F189-F336 AromaticContact CE2-CZ 3.83Å; F189-F336 HydrophobicContact CE2-CZ 3.83Å; F189-F336 HydrophobicContact CZ-CE1 4.05Å; F189-F336 HydrophobicContact CZ-CE2 4.36Å; F189-F336 AromaticContact CZ-CZ 3.59Å; F189-F336 HydrophobicContact CZ-CZ 3.59Å
190S88.7Confident90.8Very high73 Ų7355.4 Ų55.451%0.5129%0.286SS..EExtended strand (participates in β ladder)trans-114.6137.1178.3-57.70000110L194 N195S190-L194 CarbonylContact C-O 3.39Å; S190-L194 VanDerWaalsContact CA-O 3.29Å; S190-L194 WeakPolarHBondContact CA-O 3.3Å; S190-N195 PolarHBondContact OG-OD1 3.18Å
191F86.4Confident91Very high39 Ų3950.2 Ų50.217%0.17126%0.263CS..EExtended strand (participates in β ladder)trans-153.1133.9179.5-179.9-121.9000110.4H57 F189 D193 L194 F196 F336 D337 T340H57-F191 AromaticContact CE1-CD2 3.39Å; H57-F191 WeakPolarHBondContact CE1-CD2 3.19Å; H57-F191 AromaticContact CE1-CE2 3.69Å; H57-F191 AromaticContact CE1-CG 3.65Å; H57-F191 AromaticContact ND1-CD2 3.53Å; H57-F191 AromaticContact ND1-CG 3.92Å; F189-F191 HydrophobicContact CD2-CB 4.45Å; F191-D193 VanDerWaalsContact C-N 3.3Å; F191-D193 PolarHBondContact O-N 2.64Å; F191-L194 PolarHBondContact N-O 3.09Å; F191-L194 WeakPolarHBondContact O-CB 3.5Å; F191-L194 PolarHBondContact O-N 3.19Å; F191-F196 HydrophobicContact CB-CD2 4.09Å; F191-F196 HydrophobicContact CB-CE2 3.83Å; F191-F196 HydrophobicContact CD1-CE2 4.32Å; F191-F336 HydrophobicContact CD1-CE1 4.23Å; F191-D337 WeakPolarHBondContact CZ-OD1 3.06Å; F191-T340 HydrophobicContact CD1-CG2 3.91Å; F191-T340 HydrophobicContact CE1-CG2 3.88Å
192K83.4Confident91.1Very high95 Ų9549.2 Ų49.241%0.41326%0.258SS..THydrogen-bonded Turntrans46.648.1-176.1-61.6-173.7-177.7-174.90113.4L194 T340 D341 I344K192-L194 PolarHBondContact O-N 3.31Å; K192-T340 HydrophobicContact CD-CG2 4.34Å; K192-D341 IonicContact NZ-OD1 3.68Å; K192-D341 PolarHBondContact NZ-OD1 3.08Å; K192-D341 IonicContact NZ-OD2 2.62Å; K192-I344 HydrophobicContact CD-CD1 4.46Å
193D82Confident91.1Very high162 Ų16245.1 Ų45.187%0.86623%0.234SC*.THydrogen-bonded Turntrans60.610.7-177.9-55.7-45.6000116F191F191-D193 VanDerWaalsContact C-N 3.3Å; F191-D193 PolarHBondContact O-N 2.64Å
194L85.1Confident91.1Very high39 Ų3946.1 Ų46.120%0.20423%0.234CC..EExtended strand (participates in β ladder)trans-103.2147.6172.2-63.5175.2000110.9V34 S190 F191 K192 F196 I344V34-L194 HydrophobicContact CG2-CD1 4.17Å; S190-L194 CarbonylContact C-O 3.39Å; S190-L194 VanDerWaalsContact CA-O 3.29Å; S190-L194 WeakPolarHBondContact CA-O 3.3Å; F191-L194 PolarHBondContact N-O 3.09Å; F191-L194 WeakPolarHBondContact O-CB 3.5Å; F191-L194 PolarHBondContact O-N 3.19Å; K192-L194 PolarHBondContact O-N 3.31Å; L194-F196 HydrophobicContact CB-CD2 4.37Å; L194-F196 HydrophobicContact CB-CE2 3.75Å; L194-F196 HydrophobicContact CB-CZ 4.29Å; L194-F196 HydrophobicContact CD1-CZ 4.39Å; L194-I344 HydrophobicContact CD1-CD1 3.78Å; L194-I344 HydrophobicContact CD1-CG1 3.57Å
195N89.7Confident91.1Very high52 Ų5247.2 Ų47.228%0.27823%0.233SC..EExtended strand (participates in β ladder)trans-97.8124172.6-64.4-48.5000108.8R32 T33 V34 S190R32-N195 PolarHBondContact O-N 3.25Å; T33-N195 CarbonylContact C-O 3.34Å; T33-N195 VanDerWaalsContact CA-O 3.26Å; T33-N195 WeakPolarHBondContact CA-O 3.31Å; V34-N195 PolarHBondContact N-O 3.01Å; S190-N195 PolarHBondContact OG-OD1 3.18Å
196F92.4Very high91Very high2 Ų247 Ų471%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-102.8133.4177.7-71-94.2000110V34 L36 Q188 F189 F191 L194 F336 T340V34-F196 HydrophobicContact CB-CD1 3.75Å; V34-F196 HydrophobicContact CB-CE1 3.79Å; V34-F196 HydrophobicContact CB-CG 4.42Å; V34-F196 HydrophobicContact CB-CZ 4.47Å; V34-F196 HydrophobicContact CG1-CD1 3.78Å; V34-F196 HydrophobicContact CG1-CE1 3.66Å; V34-F196 HydrophobicContact CG2-CE1 4.21Å; V34-F196 HydrophobicContact CG2-CZ 4.46Å; V34-F196 WeakPolarHBondContact O-CA 3.49Å; L36-F196 HydrophobicContact CD1-CD1 3.6Å; L36-F196 HydrophobicContact CD1-CE1 4.13Å; L36-F196 HydrophobicContact CG-CD1 4Å; Q188-F196 VanDerWaalsContact CA-O 3.26Å; Q188-F196 WeakPolarHBondContact CA-O 3.37Å; F189-F196 HydrophobicContact CD1-CB 4.1Å; F189-F196 HydrophobicContact CD2-CB 3.93Å; F189-F196 HydrophobicContact CD2-CD2 4.19Å; F189-F196 HydrophobicContact CD2-CG 4.28Å; F189-F196 HydrophobicContact CE1-CB 3.76Å; F189-F196 HydrophobicContact CE2-CB 3.57Å; F189-F196 HydrophobicContact CE2-CD1 4.41Å; F189-F196 AromaticContact CE2-CD2 3.8Å; F189-F196 HydrophobicContact CE2-CD2 3.8Å; F189-F196 AromaticContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CE2-CG 3.67Å; F189-F196 HydrophobicContact CG-CB 4.18Å; F189-F196 HydrophobicContact CZ-CB 3.49Å; F189-F196 VanDerWaalsContact CZ-CB 3.49Å; F189-F196 HydrophobicContact CZ-CD1 4.33Å; F189-F196 HydrophobicContact CZ-CD2 4.45Å; F189-F196 AromaticContact CZ-CG 3.85Å; F189-F196 HydrophobicContact CZ-CG 3.85Å; F189-F196 PolarHBondContact N-O 3.27Å; F189-F196 VanDerWaalsContact N-O 3.08Å; F189-F196 PolarHBondContact O-N 3.4Å; F191-F196 HydrophobicContact CB-CD2 4.09Å; F191-F196 HydrophobicContact CB-CE2 3.83Å; F191-F196 HydrophobicContact CD1-CE2 4.32Å; L194-F196 HydrophobicContact CB-CD2 4.37Å; L194-F196 HydrophobicContact CB-CE2 3.75Å; L194-F196 HydrophobicContact CB-CZ 4.29Å; L194-F196 HydrophobicContact CD1-CZ 4.39Å; F196-F336 HydrophobicContact CD1-CZ 4.25Å; F196-F336 HydrophobicContact CE1-CZ 4.21Å; F196-T340 HydrophobicContact CZ-CG2 3.92Å
197R93.9Very high91Very high68 Ų6844.5 Ų44.526%0.25723%0.227SC..EExtended strand (participates in β ladder)trans-115109.9166.7-67.217968.3-173.9-0.9107.8T33 V34 K35 L36 E186 Q188 F199T33-R197 HydrophobicContact CG2-CB 4.26Å; T33-R197 VanDerWaalsContact CG2-CD 3.43Å; T33-R197 HydrophobicContact CG2-CG 3.57Å; V34-R197 PolarHBondContact O-N 3.32Å; K35-R197 CarbonylContact C-O 3.59Å; K35-R197 WeakPolarHBondContact CA-O 3.28Å; K35-R197 HydrophobicContact CG-CB 4.44Å; L36-R197 PolarHBondContact N-O 3.01Å; E186-R197 VanDerWaalsContact CD-NH2 3.29Å; E186-R197 IonicContact OE1-CZ 2.69Å; E186-R197 VanDerWaalsContact OE1-CZ 3.3Å; E186-R197 IonicContact OE1-NE 2.67Å; E186-R197 PolarHBondContact OE1-NE 2.89Å; E186-R197 IonicContact OE1-NH2 3.47Å; E186-R197 PolarHBondContact OE1-NH2 3.42Å; E186-R197 VanDerWaalsContact OE1-NH2 3.12Å; E186-R197 IonicContact OE2-CZ 3.2Å; E186-R197 IonicContact OE2-NE 3.4Å; E186-R197 IonicContact OE2-NH2 2.79Å; E186-R197 PolarHBondContact OE2-NH2 3.44Å; Q188-R197 HydrophobicContact CG-CG 4.18Å; R197-F199 HydrophobicContact CB-CE2 3.99Å; R197-F199 HydrophobicContact CB-CZ 4.18Å
198M94.5Very high91Very high0 Ų045.5 Ų45.50%023%0.228CC..EExtended strand (participates in β ladder)trans-106.2123.5-176.4-176.7173.6-80.400110.1L36 L38 V50 M53 E186 T187 F189 I222 F336L36-M198 HydrophobicContact CB-CB 4.49Å; L36-M198 HydrophobicContact CB-CE 4.41Å; L36-M198 HydrophobicContact CB-CG 4.46Å; L36-M198 HydrophobicContact CD1-CE 3.59Å; L36-M198 CarbonylContact O-C 3.5Å; L36-M198 WeakPolarHBondContact O-CA 3.47Å; L38-M198 HydrophobicContact CD1-CE 4.44Å; L38-M198 HydrophobicContact CD1-CG 3.17Å; L38-M198 HydrophobicContact CD1-SD 3.6Å; L38-M198 VanDerWaalsContact CD1-SD 3.6Å; V50-M198 HydrophobicContact CB-SD 4.47Å; V50-M198 HydrophobicContact CG2-CG 4.17Å; V50-M198 HydrophobicContact CG2-SD 3.78Å; M53-M198 HydrophobicContact CB-SD 4.4Å; M53-M198 HydrophobicContact CG-CE 3.56Å; M53-M198 HydrophobicContact CG-SD 3.54Å; M53-M198 VanDerWaalsContact CG-SD 3.54Å; M53-M198 HydrophobicContact SD-CE 4.06Å; E186-M198 CarbonylContact C-O 3.57Å; E186-M198 WeakPolarHBondContact CA-O 3.38Å; T187-M198 PolarHBondContact N-O 2.66Å; T187-M198 PolarHBondContact O-N 2.89Å; F189-M198 HydrophobicContact CE1-CB 4.04Å; F189-M198 HydrophobicContact CE1-CE 4.07Å; F189-M198 HydrophobicContact CE1-SD 4.33Å; F189-M198 HydrophobicContact CZ-CE 4.06Å; M198-I222 HydrophobicContact CE-CD1 4.4Å; M198-F336 HydrophobicContact CE-CE2 3.84Å; M198-F336 HydrophobicContact CE-CZ 4.41Å
199F95.4Very high90.8Very high24 Ų2449.3 Ų49.311%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-106110.8-178.1-59.6-86000110.1K35 L36 L37 L38 I184 E186 R197K35-F199 HydrophobicContact CB-CE2 4.23Å; K35-F199 HydrophobicContact CG-CE2 4.32Å; L36-F199 WeakPolarHBondContact O-CD2 3.07Å; L36-F199 PolarHBondContact O-N 3.06Å; L37-F199 HydrophobicContact CD1-CB 3.86Å; L38-F199 PolarHBondContact N-O 3.49Å; I184-F199 HydrophobicContact CG2-CD1 4.12Å; E186-F199 HydrophobicContact CB-CD1 4.13Å; E186-F199 HydrophobicContact CB-CE1 4.1Å; E186-F199 HydrophobicContact CG-CD1 4.06Å; E186-F199 HydrophobicContact CG-CE1 3.72Å; E186-F199 HydrophobicContact CG-CZ 4.24Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.27Å; R197-F199 HydrophobicContact CB-CE2 3.99Å; R197-F199 HydrophobicContact CB-CZ 4.18Å
200D95.3Very high90.7Very high4 Ų452.7 Ų52.72%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-91124.1169.1-173.627.2000109.6K46 S47 V50 I185K46-D200 VanDerWaalsContact CB-OD1 3.31Å; K46-D200 WeakPolarHBondContact CB-OD1 3.43Å; S47-D200 WeakPolarHBondContact CA-OD2 3.17Å; S47-D200 VanDerWaalsContact CB-OD2 3.29Å; S47-D200 WeakPolarHBondContact CB-OD2 3.32Å; S47-D200 PolarHBondContact OG-OD2 3.06Å; V50-D200 HydrophobicContact CG2-CB 3.76Å; I185-D200 HydrophobicContact CB-CB 4.45Å; I185-D200 PolarHBondContact N-O 2.78Å; I185-D200 PolarHBondContact O-N 2.8Å
201V94.9Very high90.8Very high0 Ų049.7 Ų49.70%024%0.235CC..EExtended strand (participates in β ladder)trans-119.2146.4179.5-58.80000111L37 L38 L39 K46 I184 G203 W211L37-V201 HydrophobicContact CD1-CG1 4.2Å; L38-V201 WeakPolarHBondContact O-CG2 3.35Å; L39-V201 HydrophobicContact CD2-CG2 3.74Å; K46-V201 WeakPolarHBondContact CE-O 3.42Å; I184-V201 HydrophobicContact CB-CG1 4.42Å; I184-V201 HydrophobicContact CG1-CG1 3.88Å; I184-V201 HydrophobicContact CG2-CG1 4.27Å; V201-G203 PolarHBondContact O-N 3.38Å; V201-W211 VanDerWaalsContact CG2-CD1 3.48Å; V201-W211 HydrophobicContact CG2-CD2 4.16Å; V201-W211 HydrophobicContact CG2-CG 4.03Å; V201-W211 HydrophobicContact CG2-CZ2 4.34Å; V201-W211 VanDerWaalsContact CG2-NE1 3.27Å
202G93.6Very high90.8Very high2 Ų252.2 Ų52.22%0.02125%0.25CC..  trans-54.9126.2175.900000112.2G183 E207 W211G183-G202 PolarHBondContact O-N 2.89Å; G202-E207 WeakPolarHBondContact O-CB 3.42Å; G202-W211 PolarHBondContact O-NE1 2.98Å
203G91.1Very high90.9Very high7 Ų754.7 Ų54.77%0.07226%0.262CS..  trans-83.7-16.9-175.700000115.8G40 G42 V201 R208G40-G203 WeakPolarHBondContact O-CA 3.35Å; G42-G203 PolarHBondContact N-O 3.3Å; V201-G203 PolarHBondContact O-N 3.38Å; G203-R208 PolarHBondContact O-NE 2.62Å
204Q90.1Very high91.3Very high38 Ų3847.7 Ų47.718%0.17823%0.226CC..SBendtrans-70.2152.1-176.9-67.6-175.24.400111.2S206 E207 R208 E236Q204-S206 PolarHBondContact O-N 2.7Å; Q204-S206 VanDerWaalsContact O-N 3.11Å; Q204-E207 PolarHBondContact O-N 3.28Å; Q204-R208 WeakPolarHBondContact O-CG 3.37Å; Q204-R208 PolarHBondContact O-N 3.25Å; Q204-E236 WeakPolarHBondContact CA-OE1 3.11Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.28Å
205R92.4Very high91.4Very high91 Ų9147 Ų4734%0.34322%0.221SC..THydrogen-bonded Turntrans-53.7-37.4-175.6-75.1-178172.4174-2.5112.7E207 R208 E236 D237 E245R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 2.92Å; R205-R208 PolarHBondContact O-N 3.07Å; R205-E236 PolarHBondContact N-OE1 3Å; R205-E236 VanDerWaalsContact N-OE1 3.16Å; R205-D237 IonicContact NH1-OD2 2.72Å; R205-D237 PolarHBondContact NH1-OD2 3.45Å; R205-E245 IonicContact CZ-OE1 3.52Å; R205-E245 IonicContact CZ-OE2 3.04Å; R205-E245 IonicContact NE-OE1 2.7Å; R205-E245 PolarHBondContact NE-OE1 2.79Å; R205-E245 VanDerWaalsContact NE-OE1 3.1Å; R205-E245 IonicContact NE-OE2 2.63Å; R205-E245 IonicContact NH2-OE1 3.43Å; R205-E245 IonicContact NH2-OE2 2.6Å; R205-E245 PolarHBondContact NH2-OE2 3.1Å
206S90.4Very high91.1Very high75 Ų7553.3 Ų53.352%0.52425%0.249SC..THydrogen-bonded Turntrans-64.7-27.2178.464.40000114.2Q204Q204-S206 PolarHBondContact O-N 2.7Å; Q204-S206 VanDerWaalsContact O-N 3.11Å
207E93Very high90.7Very high18 Ų1855.7 Ų55.78%0.08427%0.274CS..THydrogen-bonded Turntrans-90.3-19.4-174.8-63.5-58.211100112.7T182 G183 G202 Q204 R205 K209 K210T182-E207 WeakPolarHBondContact CA-OE2 3.48Å; G183-E207 PolarHBondContact N-OE2 2.91Å; G202-E207 WeakPolarHBondContact O-CB 3.42Å; Q204-E207 PolarHBondContact O-N 3.28Å; R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 2.92Å; E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 3.18Å; E207-K209 VanDerWaalsContact O-N 3.16Å; E207-K210 WeakPolarHBondContact O-CB 3.5Å; E207-K210 PolarHBondContact O-N 3.41Å; E207-K210 IonicContact OE1-NZ 2.74Å; E207-K210 PolarHBondContact OE1-NZ 3.2Å; E207-K210 IonicContact OE2-NZ 3.02Å; E207-K210 PolarHBondContact OE2-NZ 3.26Å
208R92.3Very high90.5Very high49 Ų4953.1 Ų53.119%0.18527%0.266CS..G310 helixtrans-64.2-25.7-170.7-52.7-166.4-171149.73.1114.6G203 Q204 R205 K210 W211 E245G203-R208 PolarHBondContact O-NE 2.62Å; Q204-R208 WeakPolarHBondContact O-CG 3.37Å; Q204-R208 PolarHBondContact O-N 3.25Å; R205-R208 PolarHBondContact O-N 3.07Å; R208-K210 PolarHBondContact O-N 3.27Å; R208-K210 VanDerWaalsContact O-N 3.16Å; R208-W211 HydrophobicContact CB-CD2 4.07Å; R208-W211 HydrophobicContact CB-CE3 4.4Å; R208-W211 HydrophobicContact CB-CZ2 4.22Å; R208-W211 HydrophobicContact CG-CD2 4.37Å; R208-W211 HydrophobicContact CG-CH2 3.95Å; R208-W211 HydrophobicContact CG-CZ2 3.59Å; R208-W211 HydrophobicContact CG-CZ3 4.47Å; R208-W211 VanDerWaalsContact O-CB 3.32Å; R208-W211 WeakPolarHBondContact O-CB 3.42Å; R208-W211 VanDerWaalsContact O-CG 3.27Å; R208-W211 PolarHBondContact O-N 2.88Å; R208-W211 VanDerWaalsContact O-N 3.1Å; R208-E245 IonicContact CZ-OE1 3.27Å; R208-E245 IonicContact NH1-OE1 2.73Å; R208-E245 PolarHBondContact NH1-OE1 2.69Å; R208-E245 IonicContact NH2-OE1 3.57Å; R208-E245 PolarHBondContact NH2-OE1 3.17Å
209K89.3Confident90.3Very high189 Ų18954.6 Ų54.682%0.82228%0.275SS*.G310 helixtrans-59.7-25.1174.5-70-177.3-179.9179.90112.6E207 W211E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 3.18Å; E207-K209 VanDerWaalsContact O-N 3.16Å; K209-W211 VanDerWaalsContact C-N 3.34Å
210K91.2Very high90.1Very high79 Ų7953.4 Ų53.434%0.34327%0.27SS..G310 helixtrans-80.1-15.6-179.5-56.2174.5-172.7168.30112.7E207 R208 I212 H213E207-K210 WeakPolarHBondContact O-CB 3.5Å; E207-K210 PolarHBondContact O-N 3.41Å; E207-K210 IonicContact OE1-NZ 2.74Å; E207-K210 PolarHBondContact OE1-NZ 3.2Å; E207-K210 IonicContact OE2-NZ 3.02Å; E207-K210 PolarHBondContact OE2-NZ 3.26Å; R208-K210 PolarHBondContact O-N 3.27Å; R208-K210 VanDerWaalsContact O-N 3.16Å; K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 3.47Å; K210-H213 WeakPolarHBondContact O-CB 3.25Å; K210-H213 PolarHBondContact O-CD2 3.25Å; K210-H213 PolarHBondContact O-N 2.84Å
211W91.4Very high90.1Very high10 Ų1053.2 Ų53.24%0.03827%0.269CS..G310 helixtrans-63.3-32.4-173.1-65.41.9000113.3L39 V201 G202 R208 K209 H213 C214 F215 L249 I253L39-W211 HydrophobicContact CD2-CD2 3.84Å; L39-W211 HydrophobicContact CD2-CE3 3.68Å; L39-W211 HydrophobicContact CD2-CG 4.35Å; L39-W211 HydrophobicContact CD2-CH2 4.4Å; L39-W211 HydrophobicContact CD2-CZ3 3.97Å; V201-W211 VanDerWaalsContact CG2-CD1 3.48Å; V201-W211 HydrophobicContact CG2-CD2 4.16Å; V201-W211 HydrophobicContact CG2-CG 4.03Å; V201-W211 HydrophobicContact CG2-CZ2 4.34Å; V201-W211 VanDerWaalsContact CG2-NE1 3.27Å; G202-W211 PolarHBondContact O-NE1 2.98Å; R208-W211 HydrophobicContact CB-CD2 4.07Å; R208-W211 HydrophobicContact CB-CE3 4.4Å; R208-W211 HydrophobicContact CB-CZ2 4.22Å; R208-W211 HydrophobicContact CG-CD2 4.37Å; R208-W211 HydrophobicContact CG-CH2 3.95Å; R208-W211 HydrophobicContact CG-CZ2 3.59Å; R208-W211 HydrophobicContact CG-CZ3 4.47Å; R208-W211 VanDerWaalsContact O-CB 3.32Å; R208-W211 WeakPolarHBondContact O-CB 3.42Å; R208-W211 VanDerWaalsContact O-CG 3.27Å; R208-W211 PolarHBondContact O-N 2.88Å; R208-W211 VanDerWaalsContact O-N 3.1Å; K209-W211 VanDerWaalsContact C-N 3.34Å; W211-H213 PolarHBondContact O-N 3.42Å; W211-C214 PolarHBondContact O-N 3.35Å; W211-F215 HydrophobicContact CB-CE1 3.72Å; W211-F215 HydrophobicContact CB-CZ 4.09Å; W211-F215 WeakPolarHBondContact O-CD1 3.33Å; W211-F215 VanDerWaalsContact O-CE1 3.24Å; W211-F215 WeakPolarHBondContact O-CE1 3.47Å; W211-L249 HydrophobicContact CH2-CD1 3.9Å; W211-L249 HydrophobicContact CH2-CD2 3.89Å; W211-L249 HydrophobicContact CH2-CG 4.36Å; W211-L249 HydrophobicContact CZ3-CD1 3.74Å; W211-L249 HydrophobicContact CZ3-CD2 4.45Å; W211-L249 HydrophobicContact CZ3-CG 4.45Å; W211-I253 HydrophobicContact CE3-CD1 4.35Å; W211-I253 HydrophobicContact CZ3-CD1 4.21Å
212I86Confident90.1Very high93 Ų9353.2 Ų53.248%0.47727%0.269SS..G310 helixtrans-56.6-27.4-179.2-167.360.7000112.7K210 C214 F215K210-I212 VanDerWaalsContact C-N 3.27Å; K210-I212 PolarHBondContact O-N 3.47Å; I212-C214 PolarHBondContact O-N 3.19Å; I212-F215 HydrophobicContact CD1-CB 4.39Å; I212-F215 HydrophobicContact CD1-CD2 3.57Å; I212-F215 HydrophobicContact CD1-CE2 4.12Å; I212-F215 HydrophobicContact CD1-CG 4.13Å; I212-F215 PolarHBondContact O-N 2.59Å
213H86Confident90.3Very high147 Ų14753.1 Ų53.168%0.68127%0.268SS*.G310 helixtrans-69.2-10.2177.4-58-58.6000113.8I184 K210 W211I184-H213 HydrophobicContact CD1-CB 4.01Å; K210-H213 WeakPolarHBondContact O-CB 3.25Å; K210-H213 PolarHBondContact O-CD2 3.25Å; K210-H213 PolarHBondContact O-N 2.84Å; W211-H213 PolarHBondContact O-N 3.42Å
214C88.6Confident90.7Very high14 Ų1452.8 Ų52.810%0.09526%0.264CS..G310 helixtrans-112.34.2178.9-56.30000113.2L37 I184 W211 I212 V218L37-C214 HydrophobicContact CD1-CB 3.69Å; L37-C214 HydrophobicContact CD2-CB 4.41Å; I184-C214 WeakPolarHBondContact CD1-SG 3.15Å; I184-C214 WeakPolarHBondContact CG2-SG 3.44Å; W211-C214 PolarHBondContact O-N 3.35Å; I212-C214 PolarHBondContact O-N 3.19Å; C214-V218 WeakPolarHBondContact O-CG2 3.43Å
215F87.1Confident91.1Very high25 Ų2551 Ų5111%0.1126%0.256CS..  trans-82-20.8-170.8-77.315.5000113.3L37 W211 I212 I253 C258 F259L37-F215 HydrophobicContact CD2-CD1 3.76Å; L37-F215 HydrophobicContact CD2-CE1 3.88Å; W211-F215 HydrophobicContact CB-CE1 3.72Å; W211-F215 HydrophobicContact CB-CZ 4.09Å; W211-F215 WeakPolarHBondContact O-CD1 3.33Å; W211-F215 VanDerWaalsContact O-CE1 3.24Å; W211-F215 WeakPolarHBondContact O-CE1 3.47Å; I212-F215 HydrophobicContact CD1-CB 4.39Å; I212-F215 HydrophobicContact CD1-CD2 3.57Å; I212-F215 HydrophobicContact CD1-CE2 4.12Å; I212-F215 HydrophobicContact CD1-CG 4.13Å; I212-F215 PolarHBondContact O-N 2.59Å; F215-I253 HydrophobicContact CZ-CD1 4.39Å; F215-C258 HydrophobicContact CD2-CB 4.44Å; F215-F259 HydrophobicContact CB-CE1 4.08Å; F215-F259 HydrophobicContact CB-CZ 4.08Å; F215-F259 HydrophobicContact CD1-CE1 4.17Å; F215-F259 HydrophobicContact CD1-CE2 4.32Å; F215-F259 AromaticContact CD1-CZ 3.42Å; F215-F259 HydrophobicContact CD1-CZ 3.42Å; F215-F259 VanDerWaalsContact CD1-CZ 3.42Å; F215-F259 HydrophobicContact CD2-CE1 4.07Å; F215-F259 AromaticContact CD2-CE2 3.85Å; F215-F259 HydrophobicContact CD2-CE2 3.85Å; F215-F259 AromaticContact CD2-CZ 3.39Å; F215-F259 HydrophobicContact CD2-CZ 3.39Å; F215-F259 HydrophobicContact CE1-CE2 4Å; F215-F259 AromaticContact CE1-CZ 3.5Å; F215-F259 HydrophobicContact CE1-CZ 3.5Å; F215-F259 VanDerWaalsContact CE1-CZ 3.5Å; F215-F259 AromaticContact CE2-CE2 3.51Å; F215-F259 HydrophobicContact CE2-CE2 3.51Å; F215-F259 AromaticContact CE2-CZ 3.5Å; F215-F259 HydrophobicContact CE2-CZ 3.5Å; F215-F259 VanDerWaalsContact CE2-CZ 3.5Å; F215-F259 AromaticContact CG-CE1 3.87Å; F215-F259 HydrophobicContact CG-CE1 3.87Å; F215-F259 HydrophobicContact CG-CE2 4.24Å; F215-F259 AromaticContact CG-CZ 3.35Å; F215-F259 HydrophobicContact CG-CZ 3.35Å; F215-F259 AromaticContact CZ-CE2 3.6Å; F215-F259 HydrophobicContact CZ-CE2 3.6Å; F215-F259 AromaticContact CZ-CZ 3.55Å; F215-F259 HydrophobicContact CZ-CZ 3.55Å
216E83.8Confident91.4Very high184 Ų18447.2 Ų47.286%0.8624%0.244SC*.THydrogen-bonded Turntrans-76.8129.4-177.1-170.1173.6-171.900111.7V218E216-V218 PolarHBondContact O-N 2.94Å
217G83.7Confident91.7Very high52 Ų5243.7 Ų43.754%0.53622%0.219SC..THydrogen-bonded Turntrans67.120175.700000114.8K35 T219K35-G217 WeakPolarHBondContact CD-O 3.23Å; G217-T219 PolarHBondContact O-N 2.86Å
218V90.5Very high91.9Very high15 Ų1542.9 Ų42.99%0.09122%0.215CC..  trans-68.4123.6174.6177.20000109.7L37 C214 E216 C220 I221 T262L37-V218 HydrophobicContact CB-CG1 3.78Å; L37-V218 HydrophobicContact CB-CG2 4.06Å; L37-V218 HydrophobicContact CD2-CG2 4.1Å; C214-V218 WeakPolarHBondContact O-CG2 3.43Å; E216-V218 PolarHBondContact O-N 2.94Å; V218-C220 WeakPolarHBondContact CG1-O 3.35Å; V218-I221 HydrophobicContact CG1-CG1 4.08Å; V218-T262 HydrophobicContact CB-CG2 4.45Å; V218-T262 HydrophobicContact CG1-CG2 4.04Å
219T89.5Confident92.2Very high30 Ų3040.8 Ų40.818%0.18421%0.209CC..SBendtrans-75.5-45.9176.1-45.40000110.8V34 K35 G217 I343 N347V34-T219 HydrophobicContact CG1-CG2 4.05Å; K35-T219 PolarHBondContact N-OG1 3.2Å; K35-T219 WeakPolarHBondContact O-CB 3.35Å; K35-T219 PolarHBondContact O-N 2.77Å; G217-T219 PolarHBondContact O-N 2.86Å; T219-I343 HydrophobicContact CG2-CG2 3.96Å; T219-N347 WeakPolarHBondContact CG2-ND2 3.3Å; T219-N347 WeakPolarHBondContact CG2-OD1 3.16Å
220C91.8Very high92.6Very high0 Ų031.8 Ų31.80%017%0.17CC..EExtended strand (participates in β ladder)trans-147.3142.9-178.3-178.40000111.5K35 L36 L37 V218 I343K35-C220 PolarHBondContact O-N 3.43Å; L36-C220 WeakPolarHBondContact CA-O 3.47Å; L36-C220 HydrophobicContact CD2-CB 3.8Å; L37-C220 PolarHBondContact N-O 2.97Å; V218-C220 WeakPolarHBondContact CG1-O 3.35Å; C220-I343 HydrophobicContact CB-CD1 3.64Å; C220-I343 HydrophobicContact CB-CG1 3.87Å
221I94.8Very high92.8Very high0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-98.9132.1171.5-64.9168.5000109L37 L39 V218 I253 F259 T262 S263 I264 V265L37-I221 WeakPolarHBondContact O-CA 3.24Å; L39-I221 HydrophobicContact CB-CG2 4.39Å; L39-I221 HydrophobicContact CD1-CD1 4.44Å; L39-I221 HydrophobicContact CD1-CG2 3.9Å; L39-I221 HydrophobicContact CG-CG2 4.22Å; V218-I221 HydrophobicContact CG1-CG1 4.08Å; I221-I253 HydrophobicContact CD1-CG2 4.09Å; I221-I253 HydrophobicContact CG2-CG2 4.42Å; I221-F259 HydrophobicContact CD1-CB 4.04Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.6Å; I221-F259 HydrophobicContact CD1-CE1 3.76Å; I221-F259 HydrophobicContact CD1-CE2 3.78Å; I221-F259 HydrophobicContact CD1-CG 3.47Å; I221-F259 VanDerWaalsContact CD1-CG 3.47Å; I221-F259 HydrophobicContact CD1-CZ 3.81Å; I221-T262 HydrophobicContact CD1-CG2 4.12Å; I221-T262 HydrophobicContact CG1-CG2 3.97Å; I221-S263 PolarHBondContact N-O 3.46Å; I221-I264 HydrophobicContact CB-CG1 4.19Å; I221-I264 HydrophobicContact CD1-CG1 4.38Å; I221-I264 WeakPolarHBondContact O-CA 3.34Å; I221-V265 PolarHBondContact O-N 3.3Å
222I96.4Very high93Very high0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-106.4103.3167.6-59177.3000107.3L36 L37 L38 L39 M198 V265 F267 F336L36-I222 HydrophobicContact CD1-CD1 4.28Å; L37-I222 PolarHBondContact O-N 3.3Å; L38-I222 WeakPolarHBondContact CA-O 3Å; L38-I222 HydrophobicContact CG-CB 4.47Å; L39-I222 PolarHBondContact N-O 3.04Å; M198-I222 HydrophobicContact CE-CD1 4.4Å; I222-V265 CarbonylContact C-O 3.54Å; I222-V265 WeakPolarHBondContact CA-O 3.32Å; I222-V265 HydrophobicContact CG1-CB 4.47Å; I222-F267 HydrophobicContact CG2-CD1 4.49Å; I222-F267 HydrophobicContact CG2-CD2 3.49Å; I222-F267 VanDerWaalsContact CG2-CD2 3.49Å; I222-F267 HydrophobicContact CG2-CE1 4.49Å; I222-F267 HydrophobicContact CG2-CE2 3.49Å; I222-F267 VanDerWaalsContact CG2-CE2 3.49Å; I222-F267 HydrophobicContact CG2-CG 4.02Å; I222-F267 HydrophobicContact CG2-CZ 4.02Å; I222-F336 HydrophobicContact CD1-CE2 4.47Å
223F98Very high93.5Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-89.7120.8176.4-168.3-84.3000110.5L39 A225 L249 F250 I253 V265 L266 F267 F307L39-F223 HydrophobicContact CB-CD2 3.97Å; L39-F223 CarbonylContact O-C 3.53Å; L39-F223 WeakPolarHBondContact O-CA 3.38Å; F223-A225 HydrophobicContact CD1-CB 4.48Å; F223-A225 HydrophobicContact CE1-CB 4.2Å; F223-L249 HydrophobicContact CE2-CD2 4.12Å; F223-L249 HydrophobicContact CE2-CG 3.97Å; F223-L249 HydrophobicContact CZ-CB 4.33Å; F223-L249 HydrophobicContact CZ-CD2 4.06Å; F223-L249 HydrophobicContact CZ-CG 4.09Å; F223-F250 HydrophobicContact CB-CD2 4.04Å; F223-F250 HydrophobicContact CB-CE2 4.06Å; F223-F250 HydrophobicContact CD1-CB 4.45Å; F223-F250 AromaticContact CD1-CD2 3.55Å; F223-F250 HydrophobicContact CD1-CD2 3.55Å; F223-F250 HydrophobicContact CD1-CE2 4.25Å; F223-F250 HydrophobicContact CD1-CG 4.42Å; F223-F250 AromaticContact CD2-CD2 3.81Å; F223-F250 HydrophobicContact CD2-CD2 3.81Å; F223-F250 HydrophobicContact CE1-CB 3.87Å; F223-F250 AromaticContact CE1-CD2 3.85Å; F223-F250 HydrophobicContact CE1-CD2 3.85Å; F223-F250 HydrophobicContact CE1-CG 4.31Å; F223-F250 HydrophobicContact CE2-CB 4.13Å; F223-F250 HydrophobicContact CE2-CD2 4.09Å; F223-F250 AromaticContact CG-CD2 3.52Å; F223-F250 HydrophobicContact CG-CD2 3.52Å; F223-F250 HydrophobicContact CG-CE2 4.05Å; F223-F250 HydrophobicContact CZ-CB 3.69Å; F223-F250 HydrophobicContact CZ-CD2 4.11Å; F223-F250 HydrophobicContact CZ-CG 4.42Å; F223-I253 HydrophobicContact CE2-CG1 4.46Å; F223-V265 PolarHBondContact N-O 2.93Å; F223-L266 HydrophobicContact CB-CD1 4.4Å; F223-L266 HydrophobicContact CD1-CD1 3.73Å; F223-F267 PolarHBondContact O-N 2.76Å; F223-F307 HydrophobicContact CE1-CE1 4.13Å
224C98.1Very high93.9Very high0 Ų021.2 Ų21.20%013%0.125CC..EExtended strand (participates in β ladder)trans-103.5118.7179.7-57.80000110.6L39 G40 S44 K46 I49L39-C224 PolarHBondContact O-N 2.87Å; G40-C224 WeakPolarHBondContact CA-O 3.05Å; S44-C224 WeakPolarHBondContact CB-O 3.49Å; S44-C224 WeakPolarHBondContact OG-CB 3.09Å; S44-C224 PolarHBondContact OG-O 2.87Å; K46-C224 HydrophobicContact CG-CB 4.01Å; I49-C224 HydrophobicContact CD1-CB 4.5Å; I49-C224 WeakPolarHBondContact CD1-SG 3.46Å
225A98.5Very high93.9Very high0 Ų024.1 Ų24.10%014%0.142CC..EExtended strand (participates in β ladder)trans-114.6139172.200000110F223 L266 F267 L268 N269 F307F223-A225 HydrophobicContact CD1-CB 4.48Å; F223-A225 HydrophobicContact CE1-CB 4.2Å; A225-L266 HydrophobicContact CB-CD1 4.43Å; A225-F267 PolarHBondContact N-O 3.48Å; A225-L268 HydrophobicContact CB-CD2 4.13Å; A225-N269 PolarHBondContact O-N 3.43Å; A225-F307 HydrophobicContact CB-CE1 4.06Å; A225-F307 HydrophobicContact CB-CE2 4.06Å; A225-F307 HydrophobicContact CB-CZ 3.55Å
226A98.1Very high94Very high11 Ų1127 Ų279%0.09116%0.156CC..EExtended strand (participates in β ladder)trans-90.6114.117700000110.4S228 A229 M243 K270A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 2.84Å; A226-A229 HydrophobicContact CB-CB 3.96Å; A226-A229 WeakPolarHBondContact O-CB 3.44Å; A226-A229 PolarHBondContact O-N 3.26Å; A226-M243 VanDerWaalsContact O-CE 3.25Å; A226-M243 WeakPolarHBondContact O-CE 3.38Å; A226-K270 HydrophobicContact CB-CD 3.93Å; A226-K270 HydrophobicContact CB-CG 4.5Å
227L98.2Very high94.4Very high1 Ų120.5 Ų20.51%0.00513%0.127CC..G310 helixtrans-61.4-40.6176.3-74.6171.9000112A229 Y230 L268 N269 K271 F274 I303 L323L227-A229 PolarHBondContact O-N 3.07Å; L227-Y230 WeakPolarHBondContact O-CD1 3.34Å; L227-L268 HydrophobicContact CD1-CB 3.97Å; L227-L268 HydrophobicContact CD2-CB 3.98Å; L227-L268 HydrophobicContact CD2-CD1 4.28Å; L227-L268 HydrophobicContact CD2-CD2 4.29Å; L227-L268 HydrophobicContact CD2-CG 4.41Å; L227-L268 HydrophobicContact CG-CB 3.89Å; L227-N269 WeakPolarHBondContact CB-O 3.21Å; L227-N269 PolarHBondContact N-O 3.16Å; L227-K271 HydrophobicContact CD1-CB 4.13Å; L227-F274 HydrophobicContact CB-CB 3.64Å; L227-F274 HydrophobicContact CB-CD1 4.31Å; L227-F274 HydrophobicContact CB-CD2 4.01Å; L227-F274 HydrophobicContact CB-CG 3.73Å; L227-F274 HydrophobicContact CD1-CB 4.47Å; L227-F274 HydrophobicContact CD1-CD1 4.27Å; L227-F274 HydrophobicContact CD1-CG 4.46Å; L227-F274 WeakPolarHBondContact O-CD2 3.48Å; L227-I303 HydrophobicContact CD2-CB 4.17Å; L227-I303 HydrophobicContact CD2-CD1 3.97Å; L227-I303 HydrophobicContact CD2-CG2 3.79Å; L227-L323 HydrophobicContact CD1-CD2 3.64Å
228S97.4Very high94.8Very high1 Ų125.2 Ų25.21%0.00713%0.133CC..G310 helixtrans-69.5-1.8-177.564.70000114.9A226 K270 K277A226-S228 VanDerWaalsContact C-N 3.31Å; A226-S228 PolarHBondContact O-N 2.84Å; S228-K270 WeakPolarHBondContact OG-CD 3.46Å; S228-K277 PolarHBondContact O-NZ 3.16Å
229A97.1Very high94.9Very high6 Ų633.3 Ų33.35%0.0517%0.17CC..G310 helixtrans-93.64.3-174.700000114.2A226 L227 D231 M232 R242A226-A229 HydrophobicContact CB-CB 3.96Å; A226-A229 WeakPolarHBondContact O-CB 3.44Å; A226-A229 PolarHBondContact O-N 3.26Å; L227-A229 PolarHBondContact O-N 3.07Å; A229-D231 PolarHBondContact O-N 3.14Å; A229-M232 PolarHBondContact O-N 2.74Å; A229-R242 HydrophobicContact CB-CB 3.82Å
230Y97.6Very high95.1Very high0 Ų033.5 Ų33.50%017%0.171CC..THydrogen-bonded Turntrans-63.7-24-175.474.7-90.5000114.1L227 N241 F274 K277 I278 V281 L283 I285 C286L227-Y230 WeakPolarHBondContact O-CD1 3.34Å; Y230-N241 PolarHBondContact O-ND2 2.74Å; Y230-F274 AromaticContact CD1-CD2 3.91Å; Y230-F274 HydrophobicContact CD1-CD2 3.91Å; Y230-F274 AromaticContact CD1-CE2 3.82Å; Y230-F274 HydrophobicContact CD1-CE2 3.82Å; Y230-F274 AromaticContact CE1-CD2 3.81Å; Y230-F274 HydrophobicContact CE1-CD2 3.81Å; Y230-F274 AromaticContact CE1-CE2 3.77Å; Y230-F274 HydrophobicContact CE1-CE2 3.77Å; Y230-K277 HydrophobicContact CD1-CD 4.38Å; Y230-K277 HydrophobicContact CE1-CD 3.62Å; Y230-K277 HydrophobicContact CE1-CG 3.93Å; Y230-K277 PolarHBondContact OH-O 3.44Å; Y230-I278 HydrophobicContact CE1-CD1 4.39Å; Y230-V281 HydrophobicContact CE2-CB 4.36Å; Y230-V281 HydrophobicContact CE2-CG1 4.08Å; Y230-V281 WeakPolarHBondContact OH-CB 3.15Å; Y230-V281 PolarHBondContact OH-O 3.46Å; Y230-L283 HydrophobicContact CD2-CD1 3.98Å; Y230-L283 HydrophobicContact CG-CD1 4.06Å; Y230-I285 HydrophobicContact CD2-CD1 4.48Å; Y230-I285 HydrophobicContact CD2-CG1 4.26Å; Y230-I285 HydrophobicContact CE2-CD1 4.33Å; Y230-I285 HydrophobicContact CE2-CG1 4.28Å; Y230-C286 HydrophobicContact CD2-CB 4.23Å; Y230-C286 VanDerWaalsContact O-CB 3.27Å; Y230-C286 WeakPolarHBondContact O-CB 3.36Å
231D96.8Very high95.4Very high25 Ų2534.8 Ų34.813%0.13418%0.178CC..THydrogen-bonded Turntrans-104.510.9-18066.9-25000112.7A144 A229 K277 V281 I285A144-D231 WeakPolarHBondContact CB-OD2 3.29Å; A229-D231 PolarHBondContact O-N 3.14Å; D231-K277 VanDerWaalsContact CG-NZ 3.26Å; D231-K277 WeakPolarHBondContact OD1-CD 3.48Å; D231-K277 IonicContact OD1-NZ 3.55Å; D231-K277 PolarHBondContact OD1-NZ 3.06Å; D231-K277 VanDerWaalsContact OD2-CD 3.25Å; D231-K277 WeakPolarHBondContact OD2-CD 3.18Å; D231-K277 WeakPolarHBondContact OD2-CE 3.42Å; D231-K277 IonicContact OD2-NZ 2.75Å; D231-K277 PolarHBondContact OD2-NZ 2.93Å; D231-K277 VanDerWaalsContact OD2-NZ 3.08Å; D231-V281 HydrophobicContact CB-CG1 4.31Å; D231-I285 HydrophobicContact CB-CD1 3.49Å; D231-I285 VanDerWaalsContact CB-CD1 3.49Å
232M95.9Very high95.5Very high22 Ų2236 Ų3611%0.10818%0.182CC..  trans-115.9154-173.6-63.3-176.717600112.3A229 N241 R242A229-M232 PolarHBondContact O-N 2.74Å; M232-N241 CarbonylContact O-C 3.58Å; M232-N241 WeakPolarHBondContact O-CA 3.48Å; M232-N241 PolarHBondContact O-ND2 2.99Å; M232-R242 HydrophobicContact CB-CG 4.04Å; M232-R242 PolarHBondContact O-N 3.48Å
233V95.8Very high95.6Very high49 Ų4936 Ų3630%0.29718%0.182SC..BIsolated β-bridgetrans-106.3158172.2-59.60000112.1Q147 K238 V240 R242Q147-V233 PolarHBondContact NE2-O 3.47Å; V233-K238 WeakPolarHBondContact CG1-O 3.48Å; V233-K238 HydrophobicContact CG2-CB 4.5Å; V233-V240 CarbonylContact C-O 3.57Å; V233-V240 VanDerWaalsContact CA-O 3.3Å; V233-V240 WeakPolarHBondContact CA-O 3.48Å; V233-R242 VanDerWaalsContact C-CG 3.44Å; V233-R242 WeakPolarHBondContact O-CG 3.42Å; V233-R242 PolarHBondContact O-NE 3.15Å
234L93.4Very high95.6Very high10 Ų1039.6 Ų39.65%0.05220%0.199CC..  trans-63.9152.2179.2-66.9172.6000111.7E236 D237 V240 R242 E245L234-E236 VanDerWaalsContact C-N 3.32Å; L234-D237 HydrophobicContact CB-CB 4.4Å; L234-D237 WeakPolarHBondContact CB-O 3.31Å; L234-D237 HydrophobicContact CD1-CB 4.46Å; L234-D237 PolarHBondContact N-O 3.17Å; L234-D237 CarbonylContact O-C 3.57Å; L234-V240 HydrophobicContact CD1-CB 3.92Å; L234-V240 HydrophobicContact CD1-CG1 3.66Å; L234-V240 HydrophobicContact CG-CB 4.43Å; L234-V240 HydrophobicContact CG-CG1 4.28Å; L234-V240 PolarHBondContact N-O 3.46Å; L234-R242 HydrophobicContact CD2-CG 4Å; L234-R242 HydrophobicContact CG-CG 4.41Å; L234-E245 HydrophobicContact CD1-CB 3.96Å; L234-E245 HydrophobicContact CD1-CG 3.78Å; L234-E245 HydrophobicContact CD2-CB 4.21Å; L234-E245 HydrophobicContact CD2-CG 4.02Å; L234-E245 HydrophobicContact CG-CB 4.35Å; L234-E245 HydrophobicContact CG-CG 4.42Å
235V88.9Confident95.6Very high76 Ų7640 Ų4046%0.46120%0.201SC..SBendtrans-67.2-41.6170.4178.90000109.5Q147 D237Q147-V235 HydrophobicContact CG-CG2 4.07Å; V235-D237 VanDerWaalsContact C-N 3.3Å; V235-D237 PolarHBondContact O-N 3.43Å
236E89.8Confident95.6Very high84 Ų8440.2 Ų40.239%0.39320%0.202SC..SBendtrans-73.4-20.9-177-56.9100.7126.400113.5Q204 R205 L234Q204-E236 WeakPolarHBondContact CA-OE1 3.11Å; Q204-E236 WeakPolarHBondContact CB-OE1 3.28Å; R205-E236 PolarHBondContact N-OE1 3Å; R205-E236 VanDerWaalsContact N-OE1 3.16Å; L234-E236 VanDerWaalsContact C-N 3.32Å
237D92.1Very high95.6Very high48 Ų4840.6 Ų40.626%0.25720%0.202SC..  trans-157.2105.8-171-169.7-18.4000110.9R205 L234 V235 E239 V240R205-D237 IonicContact NH1-OD2 2.72Å; R205-D237 PolarHBondContact NH1-OD2 3.45Å; L234-D237 HydrophobicContact CB-CB 4.4Å; L234-D237 WeakPolarHBondContact CB-O 3.31Å; L234-D237 HydrophobicContact CD1-CB 4.46Å; L234-D237 PolarHBondContact N-O 3.17Å; L234-D237 CarbonylContact O-C 3.57Å; V235-D237 VanDerWaalsContact C-N 3.3Å; V235-D237 PolarHBondContact O-N 3.43Å; D237-E239 PolarHBondContact O-N 3.28Å; D237-E239 PolarHBondContact OD1-N 3.23Å; D237-V240 HydrophobicContact CB-CB 4.31Å; D237-V240 HydrophobicContact CB-CG2 4.23Å; D237-V240 PolarHBondContact O-N 3.12Å; D237-V240 VanDerWaalsContact OD2-CG2 3.25Å; D237-V240 WeakPolarHBondContact OD2-CG2 3.5Å
238K91.3Very high95.6Very high151 Ų15146.5 Ų46.566%0.65723%0.23SC*.THydrogen-bonded Turntrans-74.3-9.8-173.4-65.4-175.6-179.8-178.10113.9V233V233-K238 WeakPolarHBondContact CG1-O 3.48Å; V233-K238 HydrophobicContact CG2-CB 4.5Å
239E93Very high95.6Very high186 Ų18647 Ų4787%0.86923%0.232SC*.THydrogen-bonded Turntrans-91.7-14.8177.9-59.1-169.8137.600111.9D237D237-E239 PolarHBondContact O-N 3.28Å; D237-E239 PolarHBondContact OD1-N 3.23Å
240V95.4Very high95.7Very high34 Ų3446.7 Ų46.721%0.20623%0.23CC..SBendtrans-101.6117.8-175.41790000110.7V233 L234 D237 E245V233-V240 CarbonylContact C-O 3.57Å; V233-V240 VanDerWaalsContact CA-O 3.3Å; V233-V240 WeakPolarHBondContact CA-O 3.48Å; L234-V240 HydrophobicContact CD1-CB 3.92Å; L234-V240 HydrophobicContact CD1-CG1 3.66Å; L234-V240 HydrophobicContact CG-CB 4.43Å; L234-V240 HydrophobicContact CG-CG1 4.28Å; L234-V240 PolarHBondContact N-O 3.46Å; D237-V240 HydrophobicContact CB-CB 4.31Å; D237-V240 HydrophobicContact CB-CG2 4.23Å; D237-V240 PolarHBondContact O-N 3.12Å; D237-V240 VanDerWaalsContact OD2-CG2 3.25Å; D237-V240 WeakPolarHBondContact OD2-CG2 3.5Å; V240-E245 HydrophobicContact CG1-CB 4.06Å
241N97.3Very high95.7Very high27 Ų2749.9 Ų49.914%0.14425%0.247CC..BIsolated β-bridgetrans-64.8136.3171.5180-76.7000111.4Y230 M232 M243 H244 E245Y230-N241 PolarHBondContact O-ND2 2.74Å; M232-N241 CarbonylContact O-C 3.58Å; M232-N241 WeakPolarHBondContact O-CA 3.48Å; M232-N241 PolarHBondContact O-ND2 2.99Å; N241-M243 PolarHBondContact O-N 3.31Å; N241-M243 WeakPolarHBondContact OD1-CA 3.46Å; N241-M243 VanDerWaalsContact OD1-CB 3.32Å; N241-M243 WeakPolarHBondContact OD1-CB 3.47Å; N241-M243 PolarHBondContact OD1-N 3.25Å; N241-H244 HydrophobicContact CB-CB 4.3Å; N241-H244 WeakPolarHBondContact CB-ND1 3.26Å; N241-H244 PolarHBondContact O-N 3.42Å; N241-H244 PolarHBondContact OD1-N 2.83Å; N241-E245 PolarHBondContact O-N 3.1Å
242R97.4Very high95.6Very high25 Ų2551.6 Ų51.69%0.09426%0.261CS..Hα-helixtrans-64.5-36.4-175.6-66.1-169.1174.2-159.6-9.6113.3E43 A229 M232 V233 L234 S246E43-R242 IonicContact OE1-NH2 3.54Å; E43-R242 IonicContact OE2-CZ 3.3Å; E43-R242 IonicContact OE2-NH1 3.45Å; E43-R242 PolarHBondContact OE2-NH1 3.4Å; E43-R242 IonicContact OE2-NH2 3.12Å; E43-R242 PolarHBondContact OE2-NH2 2.86Å; A229-R242 HydrophobicContact CB-CB 3.82Å; M232-R242 HydrophobicContact CB-CG 4.04Å; M232-R242 PolarHBondContact O-N 3.48Å; V233-R242 VanDerWaalsContact C-CG 3.44Å; V233-R242 WeakPolarHBondContact O-CG 3.42Å; V233-R242 PolarHBondContact O-NE 3.15Å; L234-R242 HydrophobicContact CD2-CG 4Å; L234-R242 HydrophobicContact CG-CG 4.41Å; R242-S246 WeakPolarHBondContact O-CB 3.15Å; R242-S246 PolarHBondContact O-N 3.16Å
243M98.1Very high95.6Very high1 Ų150.9 Ų50.91%0.00526%0.258CS..Hα-helixtrans-68.8-42.6177.7-178.961.671.300111.2A226 N241 S246 L247 F287 I303 F307A226-M243 VanDerWaalsContact O-CE 3.25Å; A226-M243 WeakPolarHBondContact O-CE 3.38Å; N241-M243 PolarHBondContact O-N 3.31Å; N241-M243 WeakPolarHBondContact OD1-CA 3.46Å; N241-M243 VanDerWaalsContact OD1-CB 3.32Å; N241-M243 WeakPolarHBondContact OD1-CB 3.47Å; N241-M243 PolarHBondContact OD1-N 3.25Å; M243-S246 WeakPolarHBondContact O-CB 3.46Å; M243-S246 PolarHBondContact O-N 3.43Å; M243-S246 VanDerWaalsContact O-N 3.13Å; M243-L247 HydrophobicContact CG-CD1 4.45Å; M243-L247 PolarHBondContact O-N 3.03Å; M243-F287 HydrophobicContact CG-CE2 4.05Å; M243-F287 HydrophobicContact CG-CZ 3.7Å; M243-I303 HydrophobicContact CE-CD1 4.27Å; M243-I303 HydrophobicContact CE-CG2 4Å; M243-I303 HydrophobicContact SD-CG2 4.04Å; M243-F307 HydrophobicContact SD-CE2 3.74Å; M243-F307 HydrophobicContact SD-CZ 4.02Å
244H98.1Very high95.6Very high75 Ų7548.7 Ų48.735%0.34724%0.244SC..Hα-helixtrans-61.9-43.4174.4-70.2127.3000112.6N241 S246 L247 Q248 C286N241-H244 HydrophobicContact CB-CB 4.3Å; N241-H244 WeakPolarHBondContact CB-ND1 3.26Å; N241-H244 PolarHBondContact O-N 3.42Å; N241-H244 PolarHBondContact OD1-N 2.83Å; H244-S246 VanDerWaalsContact C-N 3.28Å; H244-S246 PolarHBondContact O-N 2.74Å; H244-L247 PolarHBondContact O-N 2.92Å; H244-Q248 WeakPolarHBondContact O-CG 3.3Å; H244-Q248 PolarHBondContact O-N 3.23Å; H244-C286 PolarHBondContact CE1-O 3.16Å; H244-C286 PolarHBondContact NE2-O 3.34Å; H244-C286 VanDerWaalsContact NE2-O 3.16Å
245E97.5Very high95.6Very high8 Ų849.7 Ų49.74%0.03725%0.25CC..Hα-helixtrans-57.9-42.6172175.273177.300111.3R205 R208 L234 V240 N241 Q248 L249R205-E245 IonicContact CZ-OE1 3.52Å; R205-E245 IonicContact CZ-OE2 3.04Å; R205-E245 IonicContact NE-OE1 2.7Å; R205-E245 PolarHBondContact NE-OE1 2.79Å; R205-E245 VanDerWaalsContact NE-OE1 3.1Å; R205-E245 IonicContact NE-OE2 2.63Å; R205-E245 IonicContact NH2-OE1 3.43Å; R205-E245 IonicContact NH2-OE2 2.6Å; R205-E245 PolarHBondContact NH2-OE2 3.1Å; R208-E245 IonicContact CZ-OE1 3.27Å; R208-E245 IonicContact NH1-OE1 2.73Å; R208-E245 PolarHBondContact NH1-OE1 2.69Å; R208-E245 IonicContact NH2-OE1 3.57Å; R208-E245 PolarHBondContact NH2-OE1 3.17Å; L234-E245 HydrophobicContact CD1-CB 3.96Å; L234-E245 HydrophobicContact CD1-CG 3.78Å; L234-E245 HydrophobicContact CD2-CB 4.21Å; L234-E245 HydrophobicContact CD2-CG 4.02Å; L234-E245 HydrophobicContact CG-CB 4.35Å; L234-E245 HydrophobicContact CG-CG 4.42Å; V240-E245 HydrophobicContact CG1-CB 4.06Å; N241-E245 PolarHBondContact O-N 3.1Å; E245-Q248 PolarHBondContact O-N 2.75Å; E245-L249 VanDerWaalsContact O-CB 3.23Å; E245-L249 WeakPolarHBondContact O-CB 3.41Å; E245-L249 PolarHBondContact O-N 3.05Å
246S98.3Very high95.8Very high5 Ų549.3 Ų49.34%0.03524%0.243CC..Hα-helixtrans-64.9-39.7179.1-167.60000112.3R242 M243 H244 F250R242-S246 WeakPolarHBondContact O-CB 3.15Å; R242-S246 PolarHBondContact O-N 3.16Å; M243-S246 WeakPolarHBondContact O-CB 3.46Å; M243-S246 PolarHBondContact O-N 3.43Å; M243-S246 VanDerWaalsContact O-N 3.13Å; H244-S246 VanDerWaalsContact C-N 3.28Å; H244-S246 PolarHBondContact O-N 2.74Å; S246-F250 WeakPolarHBondContact O-CB 3.31Å; S246-F250 PolarHBondContact O-N 3.47Å
247L98.6Very high95.9Very high18 Ų1854 Ų549%0.09426%0.262CS..Hα-helixtrans-64.9-46.7174.6-75166.9000111.4M243 H244 L249 F250 N251 F287 Q306 F307 L310M243-L247 HydrophobicContact CG-CD1 4.45Å; M243-L247 PolarHBondContact O-N 3.03Å; H244-L247 PolarHBondContact O-N 2.92Å; L247-L249 VanDerWaalsContact C-N 3.33Å; L247-L249 PolarHBondContact O-N 2.97Å; L247-F250 PolarHBondContact O-N 2.97Å; L247-N251 WeakPolarHBondContact O-CB 3.11Å; L247-N251 PolarHBondContact O-N 3.27Å; L247-F287 HydrophobicContact CD1-CE1 3.72Å; L247-F287 HydrophobicContact CD1-CZ 3.82Å; L247-Q306 HydrophobicContact CD1-CB 4.46Å; L247-Q306 HydrophobicContact CD2-CB 4.02Å; L247-F307 HydrophobicContact CD2-CB 4.43Å; L247-F307 HydrophobicContact CD2-CD1 3.76Å; L247-F307 HydrophobicContact CD2-CD2 3.71Å; L247-F307 HydrophobicContact CD2-CE1 3.8Å; L247-F307 HydrophobicContact CD2-CE2 3.74Å; L247-F307 HydrophobicContact CD2-CG 3.7Å; L247-F307 HydrophobicContact CD2-CZ 3.77Å; L247-F307 HydrophobicContact CG-CE1 4.28Å; L247-F307 HydrophobicContact CG-CE2 4.24Å; L247-F307 HydrophobicContact CG-CZ 4.02Å; L247-L310 HydrophobicContact CB-CD1 4.13Å; L247-L310 HydrophobicContact CD2-CD1 3.74Å; L247-L310 WeakPolarHBondContact O-CD1 3.33Å
248Q97.9Very high95.8Very high125 Ų12555.2 Ų55.258%0.58427%0.273SS*.Hα-helixtrans-60.7-43.9176.9-72.7179.4-1.500111.8H244 E245 N251 S252H244-Q248 WeakPolarHBondContact O-CG 3.3Å; H244-Q248 PolarHBondContact O-N 3.23Å; E245-Q248 PolarHBondContact O-N 2.75Å; Q248-N251 WeakPolarHBondContact O-CB 3.26Å; Q248-N251 PolarHBondContact O-N 3.22Å; Q248-S252 PolarHBondContact O-N 3.16Å; Q248-S252 VanDerWaalsContact O-N 3.09Å
249L97.4Very high95.8Very high11 Ų1148 Ų486%0.05824%0.242CC..Hα-helixtrans-61.9-47.1175.7-178.463.8000110.9W211 F223 E245 L247 N251 S252 I253W211-L249 HydrophobicContact CH2-CD1 3.9Å; W211-L249 HydrophobicContact CH2-CD2 3.89Å; W211-L249 HydrophobicContact CH2-CG 4.36Å; W211-L249 HydrophobicContact CZ3-CD1 3.74Å; W211-L249 HydrophobicContact CZ3-CD2 4.45Å; W211-L249 HydrophobicContact CZ3-CG 4.45Å; F223-L249 HydrophobicContact CE2-CD2 4.12Å; F223-L249 HydrophobicContact CE2-CG 3.97Å; F223-L249 HydrophobicContact CZ-CB 4.33Å; F223-L249 HydrophobicContact CZ-CD2 4.06Å; F223-L249 HydrophobicContact CZ-CG 4.09Å; E245-L249 VanDerWaalsContact O-CB 3.23Å; E245-L249 WeakPolarHBondContact O-CB 3.41Å; E245-L249 PolarHBondContact O-N 3.05Å; L247-L249 VanDerWaalsContact C-N 3.33Å; L247-L249 PolarHBondContact O-N 2.97Å; L249-N251 PolarHBondContact O-N 3.11Å; L249-S252 PolarHBondContact O-N 3.1Å; L249-S252 PolarHBondContact O-OG 3.26Å; L249-I253 WeakPolarHBondContact O-CG1 3.43Å; L249-I253 PolarHBondContact O-N 3.02Å; L249-I253 VanDerWaalsContact O-N 3.13Å
250F98.2Very high95.6Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-59.9-45.7177.9-176.3-103.6000112.1F223 S246 L247 S252 I253 C254 I264 L266 F307 L310 I319F223-F250 HydrophobicContact CB-CD2 4.04Å; F223-F250 HydrophobicContact CB-CE2 4.06Å; F223-F250 HydrophobicContact CD1-CB 4.45Å; F223-F250 AromaticContact CD1-CD2 3.55Å; F223-F250 HydrophobicContact CD1-CD2 3.55Å; F223-F250 HydrophobicContact CD1-CE2 4.25Å; F223-F250 HydrophobicContact CD1-CG 4.42Å; F223-F250 AromaticContact CD2-CD2 3.81Å; F223-F250 HydrophobicContact CD2-CD2 3.81Å; F223-F250 HydrophobicContact CE1-CB 3.87Å; F223-F250 AromaticContact CE1-CD2 3.85Å; F223-F250 HydrophobicContact CE1-CD2 3.85Å; F223-F250 HydrophobicContact CE1-CG 4.31Å; F223-F250 HydrophobicContact CE2-CB 4.13Å; F223-F250 HydrophobicContact CE2-CD2 4.09Å; F223-F250 AromaticContact CG-CD2 3.52Å; F223-F250 HydrophobicContact CG-CD2 3.52Å; F223-F250 HydrophobicContact CG-CE2 4.05Å; F223-F250 HydrophobicContact CZ-CB 3.69Å; F223-F250 HydrophobicContact CZ-CD2 4.11Å; F223-F250 HydrophobicContact CZ-CG 4.42Å; S246-F250 WeakPolarHBondContact O-CB 3.31Å; S246-F250 PolarHBondContact O-N 3.47Å; L247-F250 PolarHBondContact O-N 2.97Å; F250-S252 VanDerWaalsContact C-N 3.26Å; F250-S252 PolarHBondContact O-N 3.16Å; F250-I253 PolarHBondContact O-N 3.19Å; F250-I253 VanDerWaalsContact O-N 3.11Å; F250-C254 HydrophobicContact CD1-CB 4.31Å; F250-C254 HydrophobicContact CE1-CB 4Å; F250-C254 HydrophobicContact CZ-CB 4.17Å; F250-C254 VanDerWaalsContact O-CB 3.27Å; F250-C254 WeakPolarHBondContact O-CB 3.48Å; F250-C254 PolarHBondContact O-N 2.82Å; F250-I264 HydrophobicContact CE2-CG2 3.98Å; F250-I264 HydrophobicContact CZ-CG2 4.35Å; F250-L266 HydrophobicContact CD2-CD1 4.41Å; F250-L266 HydrophobicContact CE2-CD1 4.2Å; F250-F307 HydrophobicContact CB-CD1 3.75Å; F250-F307 HydrophobicContact CB-CE1 3.74Å; F250-F307 HydrophobicContact CD1-CB 4.45Å; F250-F307 AromaticContact CD1-CD1 3.71Å; F250-F307 HydrophobicContact CD1-CD1 3.71Å; F250-F307 HydrophobicContact CD2-CD1 4.21Å; F250-F307 HydrophobicContact CE1-CB 4.43Å; F250-F307 HydrophobicContact CE1-CD1 4.36Å; F250-F307 VanDerWaalsContact CE1-O 3.3Å; F250-F307 WeakPolarHBondContact CE1-O 3.28Å; F250-F307 AromaticContact CG-CD1 3.61Å; F250-F307 HydrophobicContact CG-CD1 3.61Å; F250-F307 HydrophobicContact CG-CE1 4.09Å; F250-L310 HydrophobicContact CD1-CB 4.24Å; F250-L310 HydrophobicContact CD1-CD1 4.01Å; F250-I319 HydrophobicContact CE1-CD1 4.19Å; F250-I319 HydrophobicContact CZ-CD1 3.86Å; F250-I319 HydrophobicContact CZ-CG2 4.24Å
251N97.9Very high95.1Very high67 Ų6744.1 Ų44.136%0.35825%0.245SC..Hα-helixtrans-53.8-45175.4-175.535.9000111.5L247 Q248 L249 I253 N255 L310L247-N251 WeakPolarHBondContact O-CB 3.11Å; L247-N251 PolarHBondContact O-N 3.27Å; Q248-N251 WeakPolarHBondContact O-CB 3.26Å; Q248-N251 PolarHBondContact O-N 3.22Å; L249-N251 PolarHBondContact O-N 3.11Å; N251-I253 VanDerWaalsContact C-N 3.34Å; N251-I253 PolarHBondContact O-N 2.92Å; N251-N255 WeakPolarHBondContact O-CB 3.42Å; N251-N255 PolarHBondContact O-N 3.45Å; N251-N255 PolarHBondContact O-ND2 2.85Å; N251-N255 PolarHBondContact OD1-ND2 3.26Å; N251-L310 HydrophobicContact CB-CB 4.38Å; N251-L310 HydrophobicContact CB-CD1 4.11Å; N251-L310 HydrophobicContact CB-CD2 4.13Å; N251-L310 HydrophobicContact CB-CG 4.44Å
252S96.1Very high94.7Very high61 Ų6143.7 Ų43.743%0.42724%0.244SC..Hα-helixtrans-64.7-35.7179.476.90000113.3Q248 L249 F250 H256Q248-S252 PolarHBondContact O-N 3.16Å; Q248-S252 VanDerWaalsContact O-N 3.09Å; L249-S252 PolarHBondContact O-N 3.1Å; L249-S252 PolarHBondContact O-OG 3.26Å; F250-S252 VanDerWaalsContact C-N 3.26Å; F250-S252 PolarHBondContact O-N 3.16Å; S252-H256 WeakPolarHBondContact O-CB 3.47Å; S252-H256 PolarHBondContact O-N 3.19Å
253I95Very high94.3Very high8 Ų843.5 Ų43.54%0.04125%0.246CC..Hα-helixtrans-79.7-50.5-179.5-65.3-56.5000111.1L39 W211 F215 I221 F223 L249 F250 N251 N255 H256 F259L39-I253 HydrophobicContact CD1-CD1 3.84Å; L39-I253 HydrophobicContact CD1-CG1 4.07Å; L39-I253 HydrophobicContact CD1-CG2 3.74Å; W211-I253 HydrophobicContact CE3-CD1 4.35Å; W211-I253 HydrophobicContact CZ3-CD1 4.21Å; F215-I253 HydrophobicContact CZ-CD1 4.39Å; I221-I253 HydrophobicContact CD1-CG2 4.09Å; I221-I253 HydrophobicContact CG2-CG2 4.42Å; F223-I253 HydrophobicContact CE2-CG1 4.46Å; L249-I253 WeakPolarHBondContact O-CG1 3.43Å; L249-I253 PolarHBondContact O-N 3.02Å; L249-I253 VanDerWaalsContact O-N 3.13Å; F250-I253 PolarHBondContact O-N 3.19Å; F250-I253 VanDerWaalsContact O-N 3.11Å; N251-I253 VanDerWaalsContact C-N 3.34Å; N251-I253 PolarHBondContact O-N 2.92Å; I253-N255 PolarHBondContact O-N 2.6Å; I253-H256 WeakPolarHBondContact O-CB 3.39Å; I253-H256 PolarHBondContact O-N 3Å; I253-H256 VanDerWaalsContact O-N 3.11Å; I253-F259 HydrophobicContact CD1-CE2 4.28Å; I253-F259 HydrophobicContact CG2-CD2 4.08Å; I253-F259 HydrophobicContact CG2-CE2 4.19Å
254C95.1Very high94.1Very high2 Ų243.4 Ų43.41%0.01425%0.246CC..Hα-helixtrans-56.6-38.6-177.5-178.10000112F250 I264F250-C254 HydrophobicContact CD1-CB 4.31Å; F250-C254 HydrophobicContact CE1-CB 4Å; F250-C254 HydrophobicContact CZ-CB 4.17Å; F250-C254 VanDerWaalsContact O-CB 3.27Å; F250-C254 WeakPolarHBondContact O-CB 3.48Å; F250-C254 PolarHBondContact O-N 2.82Å; C254-I264 HydrophobicContact CB-CD1 4.2Å
255N94.9Very high94Very high31 Ų3139.9 Ų39.917%0.16623%0.23CC..THydrogen-bonded Turntrans-1008.2-176.6-58.8-41.3000113.2N251 I253 L310 I312N251-N255 WeakPolarHBondContact O-CB 3.42Å; N251-N255 PolarHBondContact O-N 3.45Å; N251-N255 PolarHBondContact O-ND2 2.85Å; N251-N255 PolarHBondContact OD1-ND2 3.26Å; I253-N255 PolarHBondContact O-N 2.6Å; N255-L310 PolarHBondContact ND2-O 3.42Å; N255-I312 HydrophobicContact CB-CD1 4.18Å; N255-I312 WeakPolarHBondContact OD1-CG1 2.87Å; N255-I312 PolarHBondContact OD1-N 3.31Å
256H92.9Very high94Very high68 Ų6839.5 Ų39.532%0.31523%0.228SC..  trans-68.9138.9178.5-162.5-98.9000111.6S252 I253 C258 F259 A260S252-H256 WeakPolarHBondContact O-CB 3.47Å; S252-H256 PolarHBondContact O-N 3.19Å; I253-H256 WeakPolarHBondContact O-CB 3.39Å; I253-H256 PolarHBondContact O-N 3Å; I253-H256 VanDerWaalsContact O-N 3.11Å; H256-C258 VanDerWaalsContact C-N 3.33Å; H256-C258 PolarHBondContact CE1-SG 2.98Å; H256-C258 WeakPolarHBondContact ND1-CB 3.4Å; H256-C258 PolarHBondContact ND1-N 2.75Å; H256-C258 VanDerWaalsContact ND1-N 3.19Å; H256-C258 PolarHBondContact O-N 3.47Å; H256-F259 HydrophobicContact CB-CD2 3.76Å; H256-F259 HydrophobicContact CB-CE2 4.47Å; H256-F259 HydrophobicContact CB-CG 4.49Å; H256-F259 PolarHBondContact O-N 3.33Å; H256-A260 PolarHBondContact O-N 2.86Å
257K90.7Very high94Very high182 Ų18239.5 Ų39.579%0.79123%0.227SC*.G310 helixtrans-60.3-39.2-178.5-67.4-174.5-179.5-1790113F259 A260K257-F259 PolarHBondContact O-N 2.68Å; K257-A260 WeakPolarHBondContact O-CB 3.11Å; K257-A260 PolarHBondContact O-N 3.19Å
258C90.2Very high94Very high74 Ų7438.7 Ų38.750%0.522%0.223SC..G310 helixtrans-64.8-17.7178-57.40000113.5F215 H256F215-C258 HydrophobicContact CD2-CB 4.44Å; H256-C258 VanDerWaalsContact C-N 3.33Å; H256-C258 PolarHBondContact CE1-SG 2.98Å; H256-C258 WeakPolarHBondContact ND1-CB 3.4Å; H256-C258 PolarHBondContact ND1-N 2.75Å; H256-C258 VanDerWaalsContact ND1-N 3.19Å; H256-C258 PolarHBondContact O-N 3.47Å
259F90.9Very high94Very high0 Ų032.9 Ų32.90%020%0.196CC..G310 helixtrans-112.621.9-177.8-55.5-43.9000112.6L37 L39 F215 I221 I253 H256 K257 A261 T262 K317L37-F259 HydrophobicContact CD2-CZ 4.28Å; L39-F259 HydrophobicContact CD1-CE2 4.49Å; F215-F259 HydrophobicContact CB-CE1 4.08Å; F215-F259 HydrophobicContact CB-CZ 4.08Å; F215-F259 HydrophobicContact CD1-CE1 4.17Å; F215-F259 HydrophobicContact CD1-CE2 4.32Å; F215-F259 AromaticContact CD1-CZ 3.42Å; F215-F259 HydrophobicContact CD1-CZ 3.42Å; F215-F259 VanDerWaalsContact CD1-CZ 3.42Å; F215-F259 HydrophobicContact CD2-CE1 4.07Å; F215-F259 AromaticContact CD2-CE2 3.85Å; F215-F259 HydrophobicContact CD2-CE2 3.85Å; F215-F259 AromaticContact CD2-CZ 3.39Å; F215-F259 HydrophobicContact CD2-CZ 3.39Å; F215-F259 HydrophobicContact CE1-CE2 4Å; F215-F259 AromaticContact CE1-CZ 3.5Å; F215-F259 HydrophobicContact CE1-CZ 3.5Å; F215-F259 VanDerWaalsContact CE1-CZ 3.5Å; F215-F259 AromaticContact CE2-CE2 3.51Å; F215-F259 HydrophobicContact CE2-CE2 3.51Å; F215-F259 AromaticContact CE2-CZ 3.5Å; F215-F259 HydrophobicContact CE2-CZ 3.5Å; F215-F259 VanDerWaalsContact CE2-CZ 3.5Å; F215-F259 AromaticContact CG-CE1 3.87Å; F215-F259 HydrophobicContact CG-CE1 3.87Å; F215-F259 HydrophobicContact CG-CE2 4.24Å; F215-F259 AromaticContact CG-CZ 3.35Å; F215-F259 HydrophobicContact CG-CZ 3.35Å; F215-F259 AromaticContact CZ-CE2 3.6Å; F215-F259 HydrophobicContact CZ-CE2 3.6Å; F215-F259 AromaticContact CZ-CZ 3.55Å; F215-F259 HydrophobicContact CZ-CZ 3.55Å; I221-F259 HydrophobicContact CD1-CB 4.04Å; I221-F259 HydrophobicContact CD1-CD1 3.59Å; I221-F259 HydrophobicContact CD1-CD2 3.6Å; I221-F259 HydrophobicContact CD1-CE1 3.76Å; I221-F259 HydrophobicContact CD1-CE2 3.78Å; I221-F259 HydrophobicContact CD1-CG 3.47Å; I221-F259 VanDerWaalsContact CD1-CG 3.47Å; I221-F259 HydrophobicContact CD1-CZ 3.81Å; I253-F259 HydrophobicContact CD1-CE2 4.28Å; I253-F259 HydrophobicContact CG2-CD2 4.08Å; I253-F259 HydrophobicContact CG2-CE2 4.19Å; H256-F259 HydrophobicContact CB-CD2 3.76Å; H256-F259 HydrophobicContact CB-CE2 4.47Å; H256-F259 HydrophobicContact CB-CG 4.49Å; H256-F259 PolarHBondContact O-N 3.33Å; K257-F259 PolarHBondContact O-N 2.68Å; F259-A261 VanDerWaalsContact C-N 3.3Å; F259-A261 PolarHBondContact O-N 3.13Å; F259-T262 HydrophobicContact CD1-CG2 4.42Å; F259-T262 PolarHBondContact O-N 3.33Å; F259-K317 PolarHBondContact O-NZ 3.2Å
260A89.1Confident94.1Very high40 Ų4033.2 Ų33.233%0.33120%0.197SC..SBendtrans-53.9-46.5-177.900000112.7H256 K257H256-A260 PolarHBondContact O-N 2.86Å; K257-A260 WeakPolarHBondContact O-CB 3.11Å; K257-A260 PolarHBondContact O-N 3.19Å
261A85.3Confident94Very high98 Ų9835.9 Ų35.981%0.8121%0.208SC*.SBendtrans-103.8-4179.400000113.2F259 S263F259-A261 VanDerWaalsContact C-N 3.3Å; F259-A261 PolarHBondContact O-N 3.13Å; A261-S263 PolarHBondContact O-N 3.26Å
262T89.5Confident94Very high19 Ų1935.4 Ų35.412%0.11721%0.206CC..  trans-77.4126-177.8-51.20000110.6V218 I221 F259 K317V218-T262 HydrophobicContact CB-CG2 4.45Å; V218-T262 HydrophobicContact CG1-CG2 4.04Å; I221-T262 HydrophobicContact CD1-CG2 4.12Å; I221-T262 HydrophobicContact CG1-CG2 3.97Å; F259-T262 HydrophobicContact CD1-CG2 4.42Å; F259-T262 PolarHBondContact O-N 3.33Å; T262-K317 WeakPolarHBondContact O-CE 3.32Å; T262-K317 PolarHBondContact O-NZ 2.89Å
263S89Confident94Very high20 Ų2034.8 Ų34.814%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-60.6141.9176.7-41.50000111.7I221 A261 E346I221-S263 PolarHBondContact N-O 3.46Å; A261-S263 PolarHBondContact O-N 3.26Å; S263-E346 WeakPolarHBondContact CB-OE2 3.34Å; S263-E346 PolarHBondContact OG-OE2 3.4Å
264I94Very high94.2Very high0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-125.2125.1178.7-62.1-177.4000109.6I221 F250 C254 K317 I319 Y320I221-I264 HydrophobicContact CB-CG1 4.19Å; I221-I264 HydrophobicContact CD1-CG1 4.38Å; I221-I264 WeakPolarHBondContact O-CA 3.34Å; F250-I264 HydrophobicContact CE2-CG2 3.98Å; F250-I264 HydrophobicContact CZ-CG2 4.35Å; C254-I264 HydrophobicContact CB-CD1 4.2Å; I264-K317 VanDerWaalsContact CD1-CE 3.47Å; I264-K317 VanDerWaalsContact CG1-CE 3.49Å; I264-I319 HydrophobicContact CB-CG1 4.25Å; I264-I319 HydrophobicContact CG2-CG1 4.47Å; I264-I319 HydrophobicContact CG2-CG2 4.28Å; I264-I319 WeakPolarHBondContact O-CA 3.45Å; I264-Y320 PolarHBondContact O-N 2.94Å
265V95.9Very high94.3Very high1 Ų139.8 Ų39.81%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-104.4127.6166.7179.10000108.3I221 I222 F223 F267 Y320 V339I221-V265 PolarHBondContact O-N 3.3Å; I222-V265 CarbonylContact C-O 3.54Å; I222-V265 WeakPolarHBondContact CA-O 3.32Å; I222-V265 HydrophobicContact CG1-CB 4.47Å; F223-V265 PolarHBondContact N-O 2.93Å; V265-F267 HydrophobicContact CG1-CD1 3.7Å; V265-F267 HydrophobicContact CG1-CE1 3.34Å; V265-F267 HydrophobicContact CG1-CZ 4.18Å; V265-Y320 CarbonylContact C-O 3.59Å; V265-Y320 WeakPolarHBondContact CA-O 3.39Å; V265-V339 HydrophobicContact CB-CG2 4.35Å; V265-V339 HydrophobicContact CG1-CG2 3.57Å; V265-V339 HydrophobicContact CG2-CB 4.48Å; V265-V339 HydrophobicContact CG2-CG1 3.84Å; V265-V339 HydrophobicContact CG2-CG2 3.96Å
266L97.7Very high94.3Very high0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-102.2113.9176.3175.262.2000110.2F223 A225 F250 L268 F307 I319 Y320 C321 H322F223-L266 HydrophobicContact CB-CD1 4.4Å; F223-L266 HydrophobicContact CD1-CD1 3.73Å; A225-L266 HydrophobicContact CB-CD1 4.43Å; F250-L266 HydrophobicContact CD2-CD1 4.41Å; F250-L266 HydrophobicContact CE2-CD1 4.2Å; L266-L268 HydrophobicContact CD1-CD2 4.23Å; L266-L268 HydrophobicContact CD2-CD2 4.11Å; L266-L268 HydrophobicContact CD2-CG 4.39Å; L266-L268 HydrophobicContact CG-CD2 4.12Å; L266-L268 HydrophobicContact CG-CG 4.27Å; L266-F307 HydrophobicContact CD1-CD1 4.2Å; L266-F307 HydrophobicContact CD1-CG 4.46Å; L266-F307 HydrophobicContact CD2-CB 3.41Å; L266-F307 VanDerWaalsContact CD2-CB 3.41Å; L266-F307 HydrophobicContact CD2-CD1 4.24Å; L266-F307 HydrophobicContact CD2-CD2 4.46Å; L266-F307 HydrophobicContact CD2-CG 3.81Å; L266-I319 HydrophobicContact CB-CG2 3.85Å; L266-Y320 PolarHBondContact N-O 3.13Å; L266-C321 HydrophobicContact CB-CB 4.23Å; L266-C321 HydrophobicContact CD2-CB 4.32Å; L266-C321 CarbonylContact O-C 3.59Å; L266-C321 VanDerWaalsContact O-CA 3.31Å; L266-C321 WeakPolarHBondContact O-CA 3.36Å; L266-H322 PolarHBondContact O-N 3.28Å
267F98.3Very high94.5Very high5 Ų542.6 Ų42.62%0.02223%0.232CC..EExtended strand (participates in β ladder)trans-94.3111.4169.1-72.3-5.6000110.2I49 I222 F223 A225 V265 N269 H322 T324 V335 V339I49-F267 HydrophobicContact CD1-CD2 3.64Å; I49-F267 HydrophobicContact CD1-CE2 4.14Å; I49-F267 HydrophobicContact CG1-CD2 4.48Å; I49-F267 HydrophobicContact CG2-CE2 4.48Å; I222-F267 HydrophobicContact CG2-CD1 4.49Å; I222-F267 HydrophobicContact CG2-CD2 3.49Å; I222-F267 VanDerWaalsContact CG2-CD2 3.49Å; I222-F267 HydrophobicContact CG2-CE1 4.49Å; I222-F267 HydrophobicContact CG2-CE2 3.49Å; I222-F267 VanDerWaalsContact CG2-CE2 3.49Å; I222-F267 HydrophobicContact CG2-CG 4.02Å; I222-F267 HydrophobicContact CG2-CZ 4.02Å; F223-F267 PolarHBondContact O-N 2.76Å; A225-F267 PolarHBondContact N-O 3.48Å; V265-F267 HydrophobicContact CG1-CD1 3.7Å; V265-F267 HydrophobicContact CG1-CE1 3.34Å; V265-F267 HydrophobicContact CG1-CZ 4.18Å; F267-N269 PolarHBondContact O-N 3.28Å; F267-H322 HydrophobicContact CD1-CB 4.14Å; F267-H322 HydrophobicContact CE1-CB 4.32Å; F267-T324 HydrophobicContact CB-CG2 4.2Å; F267-T324 HydrophobicContact CD1-CG2 3.92Å; F267-T324 HydrophobicContact CD2-CG2 4.27Å; F267-T324 HydrophobicContact CE1-CG2 4.36Å; F267-T324 HydrophobicContact CG-CG2 3.87Å; F267-V335 HydrophobicContact CD1-CG1 4.11Å; F267-V335 HydrophobicContact CE1-CG1 3.26Å; F267-V335 HydrophobicContact CZ-CG1 3.53Å; F267-V339 HydrophobicContact CE1-CG2 4Å; F267-V339 HydrophobicContact CZ-CG2 4.19Å
268L98.5Very high94.8Very high0 Ų034 Ų340%020%0.195CC..EExtended strand (participates in β ladder)trans-87.486.1167.5-65.7-177.4000107.8A225 L227 L266 K304 F307 C321 H322 L323 T324A225-L268 HydrophobicContact CB-CD2 4.13Å; L227-L268 HydrophobicContact CD1-CB 3.97Å; L227-L268 HydrophobicContact CD2-CB 3.98Å; L227-L268 HydrophobicContact CD2-CD1 4.28Å; L227-L268 HydrophobicContact CD2-CD2 4.29Å; L227-L268 HydrophobicContact CD2-CG 4.41Å; L227-L268 HydrophobicContact CG-CB 3.89Å; L266-L268 HydrophobicContact CD1-CD2 4.23Å; L266-L268 HydrophobicContact CD2-CD2 4.11Å; L266-L268 HydrophobicContact CD2-CG 4.39Å; L266-L268 HydrophobicContact CG-CD2 4.12Å; L266-L268 HydrophobicContact CG-CG 4.27Å; L268-K304 HydrophobicContact CD1-CB 3.64Å; L268-K304 HydrophobicContact CD1-CG 4.25Å; L268-F307 HydrophobicContact CD2-CD2 3.88Å; L268-F307 HydrophobicContact CD2-CE2 4.02Å; L268-C321 VanDerWaalsContact CD1-SG 3.51Å; L268-H322 PolarHBondContact N-O 3.46Å; L268-L323 HydrophobicContact CB-CD2 3.85Å; L268-L323 HydrophobicContact CD1-CD2 4.07Å; L268-L323 WeakPolarHBondContact O-CA 3.44Å; L268-T324 PolarHBondContact O-N 3.48Å
269N98.4Very high95.1Very high3 Ų335.6 Ų35.62%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-86.1168.2-169.8-168.829000112.7S44 A225 L227 F267 K271 T324 A326S44-N269 PolarHBondContact O-ND2 2.63Å; A225-N269 PolarHBondContact O-N 3.43Å; L227-N269 WeakPolarHBondContact CB-O 3.21Å; L227-N269 PolarHBondContact N-O 3.16Å; F267-N269 PolarHBondContact O-N 3.28Å; N269-K271 VanDerWaalsContact C-N 3.32Å; N269-T324 CarbonylContact C-O 3.58Å; N269-T324 VanDerWaalsContact CA-O 3.3Å; N269-T324 WeakPolarHBondContact CA-O 3.5Å; N269-T324 VanDerWaalsContact CA-OG1 3.24Å; N269-T324 WeakPolarHBondContact CA-OG1 3.21Å; N269-T324 WeakPolarHBondContact CB-OG1 3.4Å; N269-T324 PolarHBondContact OD1-O 2.91Å; N269-T324 PolarHBondContact OD1-OG1 3.44Å; N269-A326 WeakPolarHBondContact OD1-CB 3.36Å; N269-A326 PolarHBondContact OD1-N 3.45Å
270K97.9Very high95.2Very high19 Ų1943.3 Ų43.38%0.08324%0.236CC..  trans6239.3-178-49.7-176.2-171.1175.70112.3E43 D150 A226 S228 D272 L273 F274 T324E43-K270 WeakPolarHBondContact O-CE 3.41Å; E43-K270 PolarHBondContact O-NZ 3.26Å; D150-K270 WeakPolarHBondContact OD2-CE 3.49Å; D150-K270 IonicContact OD2-NZ 2.78Å; D150-K270 PolarHBondContact OD2-NZ 3.4Å; A226-K270 HydrophobicContact CB-CD 3.93Å; A226-K270 HydrophobicContact CB-CG 4.5Å; S228-K270 WeakPolarHBondContact OG-CD 3.46Å; K270-D272 VanDerWaalsContact CA-OD1 3.27Å; K270-D272 WeakPolarHBondContact CA-OD1 3.24Å; K270-D272 PolarHBondContact O-N 3.27Å; K270-L273 HydrophobicContact CB-CB 4.39Å; K270-L273 HydrophobicContact CB-CD1 4.23Å; K270-L273 HydrophobicContact CD-CD1 4.13Å; K270-L273 HydrophobicContact CG-CD1 4.5Å; K270-L273 PolarHBondContact O-N 3.34Å; K270-F274 WeakPolarHBondContact O-CB 3.4Å; K270-F274 PolarHBondContact O-N 3.43Å; K270-T324 PolarHBondContact N-O 2.9Å
271K97.5Very high95.6Very high56 Ų5643.7 Ų43.724%0.24323%0.234CC..Hα-helixtrans-61-32.3179.473.9179.9-176.9179.20112.3L227 N269 F274 Q275 F296 L323 T324 C325 N331L227-K271 HydrophobicContact CD1-CB 4.13Å; N269-K271 VanDerWaalsContact C-N 3.32Å; K271-F274 PolarHBondContact O-N 3.49Å; K271-Q275 VanDerWaalsContact O-CB 3.31Å; K271-Q275 WeakPolarHBondContact O-CB 3.28Å; K271-Q275 PolarHBondContact O-N 2.71Å; K271-F296 HydrophobicContact CB-CE2 3.99Å; K271-F296 HydrophobicContact CB-CZ 4.06Å; K271-F296 WeakPolarHBondContact O-CE2 3.48Å; K271-L323 HydrophobicContact CD-CB 4.17Å; K271-T324 WeakPolarHBondContact CG-O 3.44Å; K271-T324 PolarHBondContact N-O 3.04Å; K271-T324 VanDerWaalsContact N-O 3.14Å; K271-C325 HydrophobicContact CG-CB 4.18Å; K271-N331 PolarHBondContact NZ-ND2 2.96Å
272D97.1Very high96.1Very high57 Ų5742 Ų4231%0.30521%0.209SC..Hα-helixtrans-60.2-54.4174.556.9-43.2000111.3K270 F274 Q275 E276K270-D272 VanDerWaalsContact CA-OD1 3.27Å; K270-D272 WeakPolarHBondContact CA-OD1 3.24Å; K270-D272 PolarHBondContact O-N 3.27Å; D272-F274 VanDerWaalsContact C-N 3.3Å; D272-F274 PolarHBondContact O-N 2.87Å; D272-Q275 WeakPolarHBondContact O-CB 3.41Å; D272-Q275 PolarHBondContact O-N 2.95Å; D272-E276 PolarHBondContact O-N 3.06Å
273L97Very high96.5Very high47 Ų4741.1 Ų41.125%0.24620%0.204CC..Hα-helixtrans-66-35.7178-59.1179.6000111.9D150 K270 K277D150-L273 HydrophobicContact CB-CD1 3.65Å; K270-L273 HydrophobicContact CB-CB 4.39Å; K270-L273 HydrophobicContact CB-CD1 4.23Å; K270-L273 HydrophobicContact CD-CD1 4.13Å; K270-L273 HydrophobicContact CG-CD1 4.5Å; K270-L273 PolarHBondContact O-N 3.34Å; L273-K277 WeakPolarHBondContact O-CB 3.43Å; L273-K277 PolarHBondContact O-N 3.06Å
274F98.1Very high96.9Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-64.5-42.6175.3178.9-109.4000111.9L227 Y230 K270 K271 D272 E276 K277 I278 F296 A299 I303L227-F274 HydrophobicContact CB-CB 3.64Å; L227-F274 HydrophobicContact CB-CD1 4.31Å; L227-F274 HydrophobicContact CB-CD2 4.01Å; L227-F274 HydrophobicContact CB-CG 3.73Å; L227-F274 HydrophobicContact CD1-CB 4.47Å; L227-F274 HydrophobicContact CD1-CD1 4.27Å; L227-F274 HydrophobicContact CD1-CG 4.46Å; L227-F274 WeakPolarHBondContact O-CD2 3.48Å; Y230-F274 AromaticContact CD1-CD2 3.91Å; Y230-F274 HydrophobicContact CD1-CD2 3.91Å; Y230-F274 AromaticContact CD1-CE2 3.82Å; Y230-F274 HydrophobicContact CD1-CE2 3.82Å; Y230-F274 AromaticContact CE1-CD2 3.81Å; Y230-F274 HydrophobicContact CE1-CD2 3.81Å; Y230-F274 AromaticContact CE1-CE2 3.77Å; Y230-F274 HydrophobicContact CE1-CE2 3.77Å; K270-F274 WeakPolarHBondContact O-CB 3.4Å; K270-F274 PolarHBondContact O-N 3.43Å; K271-F274 PolarHBondContact O-N 3.49Å; D272-F274 VanDerWaalsContact C-N 3.3Å; D272-F274 PolarHBondContact O-N 2.87Å; F274-E276 VanDerWaalsContact C-N 3.3Å; F274-E276 PolarHBondContact O-N 3.2Å; F274-K277 PolarHBondContact O-N 3.44Å; F274-I278 HydrophobicContact CE2-CB 4.25Å; F274-I278 HydrophobicContact CE2-CD1 3.84Å; F274-I278 HydrophobicContact CE2-CG1 4.28Å; F274-I278 HydrophobicContact CZ-CB 4.2Å; F274-I278 HydrophobicContact CZ-CD1 3.86Å; F274-I278 HydrophobicContact CZ-CG1 3.99Å; F274-I278 WeakPolarHBondContact O-CB 3.31Å; F274-I278 WeakPolarHBondContact O-CG2 3.44Å; F274-I278 PolarHBondContact O-N 3.47Å; F274-F296 AromaticContact CD1-CD2 3.63Å; F274-F296 HydrophobicContact CD1-CD2 3.63Å; F274-F296 AromaticContact CD1-CE2 3.82Å; F274-F296 HydrophobicContact CD1-CE2 3.82Å; F274-F296 HydrophobicContact CE1-CD2 4.06Å; F274-F296 HydrophobicContact CE1-CE2 4.49Å; F274-A299 HydrophobicContact CE1-CB 4.38Å; F274-A299 HydrophobicContact CZ-CB 3.73Å; F274-I303 HydrophobicContact CE2-CD1 3.78Å; F274-I303 HydrophobicContact CZ-CD1 3.86Å
275Q97.5Very high97Very high115 Ų11548 Ų4854%0.53724%0.238SC..Hα-helixtrans-58.8-40.3178.9-179.2175.4-23.100112.2K271 D272 F296K271-Q275 VanDerWaalsContact O-CB 3.31Å; K271-Q275 WeakPolarHBondContact O-CB 3.28Å; K271-Q275 PolarHBondContact O-N 2.71Å; D272-Q275 WeakPolarHBondContact O-CB 3.41Å; D272-Q275 PolarHBondContact O-N 2.95Å; Q275-F296 HydrophobicContact CB-CD2 3.7Å; Q275-F296 HydrophobicContact CB-CE2 4.16Å; Q275-F296 HydrophobicContact CB-CG 4.43Å; Q275-F296 HydrophobicContact CG-CB 4.48Å; Q275-F296 HydrophobicContact CG-CD2 4.2Å; Q275-F296 HydrophobicContact CG-CG 4.46Å
276E95.2Very high97.1Very high125 Ų12548 Ų4858%0.58424%0.238SC*.Hα-helixtrans-71.6-47.5175-65.4-177.8-173.900111.7D272 F274 T279D272-E276 PolarHBondContact O-N 3.06Å; F274-E276 VanDerWaalsContact C-N 3.3Å; F274-E276 PolarHBondContact O-N 3.2Å; E276-T279 PolarHBondContact O-N 2.7Å; E276-T279 PolarHBondContact O-OG1 2.73Å
277K95.9Very high97.1Very high34 Ų3448.2 Ų48.215%0.14824%0.239CC..Hα-helixtrans-68.2-38.5-171.9-177.8-178.2-82.1-157.70113.2S228 Y230 D231 L273 F274 T279 K280 V281S228-K277 PolarHBondContact O-NZ 3.16Å; Y230-K277 HydrophobicContact CD1-CD 4.38Å; Y230-K277 HydrophobicContact CE1-CD 3.62Å; Y230-K277 HydrophobicContact CE1-CG 3.93Å; Y230-K277 PolarHBondContact OH-O 3.44Å; D231-K277 VanDerWaalsContact CG-NZ 3.26Å; D231-K277 WeakPolarHBondContact OD1-CD 3.48Å; D231-K277 IonicContact OD1-NZ 3.55Å; D231-K277 PolarHBondContact OD1-NZ 3.06Å; D231-K277 VanDerWaalsContact OD2-CD 3.25Å; D231-K277 WeakPolarHBondContact OD2-CD 3.18Å; D231-K277 WeakPolarHBondContact OD2-CE 3.42Å; D231-K277 IonicContact OD2-NZ 2.75Å; D231-K277 PolarHBondContact OD2-NZ 2.93Å; D231-K277 VanDerWaalsContact OD2-NZ 3.08Å; L273-K277 WeakPolarHBondContact O-CB 3.43Å; L273-K277 PolarHBondContact O-N 3.06Å; F274-K277 PolarHBondContact O-N 3.44Å; K277-T279 PolarHBondContact O-N 3.27Å; K277-T279 VanDerWaalsContact O-N 3.16Å; K277-K280 PolarHBondContact O-N 3.45Å; K277-V281 PolarHBondContact O-N 2.96Å; K277-V281 VanDerWaalsContact O-N 3.12Å
278I97.4Very high97Very high2 Ų252.7 Ų52.71%0.0127%0.269CS..THydrogen-bonded Turntrans-62.4-22.6-179.5-160.163.6000111.8Y230 F274 K280 L283 N294 A299Y230-I278 HydrophobicContact CE1-CD1 4.39Å; F274-I278 HydrophobicContact CE2-CB 4.25Å; F274-I278 HydrophobicContact CE2-CD1 3.84Å; F274-I278 HydrophobicContact CE2-CG1 4.28Å; F274-I278 HydrophobicContact CZ-CB 4.2Å; F274-I278 HydrophobicContact CZ-CD1 3.86Å; F274-I278 HydrophobicContact CZ-CG1 3.99Å; F274-I278 WeakPolarHBondContact O-CB 3.31Å; F274-I278 WeakPolarHBondContact O-CG2 3.44Å; F274-I278 PolarHBondContact O-N 3.47Å; I278-K280 PolarHBondContact O-N 3.31Å; I278-L283 HydrophobicContact CD1-CB 4.09Å; I278-N294 WeakPolarHBondContact CD1-OD1 3.47Å; I278-N294 WeakPolarHBondContact CG1-OD1 3.38Å; I278-N294 VanDerWaalsContact O-CG 3.26Å; I278-N294 PolarHBondContact O-ND2 3.41Å; I278-A299 HydrophobicContact CD1-CB 3.7Å; I278-A299 HydrophobicContact CG1-CB 3.8Å
279T95.9Very high96.9Very high107 Ų10757.6 Ų57.666%0.65629%0.292SS*.THydrogen-bonded Turntrans-71.6-16.7174.368.50000113.7E276 K277E276-T279 PolarHBondContact O-N 2.7Å; E276-T279 PolarHBondContact O-OG1 2.73Å; K277-T279 PolarHBondContact O-N 3.27Å; K277-T279 VanDerWaalsContact O-N 3.16Å
280K94.7Very high96.9Very high162 Ų16258 Ų5870%0.70429%0.293SS*.THydrogen-bonded Turntrans-109.5-39.1-171.5-59.1176.6-175.3172.40112.9K277 I278K277-K280 PolarHBondContact O-N 3.45Å; I278-K280 PolarHBondContact O-N 3.31Å
281V95.8Very high96.7Very high47 Ų4764.3 Ų64.329%0.28533%0.328SS..SBendtrans-121132.5-175.7-176.20000108.8Y230 D231 K277 I285 N294Y230-V281 HydrophobicContact CE2-CB 4.36Å; Y230-V281 HydrophobicContact CE2-CG1 4.08Å; Y230-V281 WeakPolarHBondContact OH-CB 3.15Å; Y230-V281 PolarHBondContact OH-O 3.46Å; D231-V281 HydrophobicContact CB-CG1 4.31Å; K277-V281 PolarHBondContact O-N 2.96Å; K277-V281 VanDerWaalsContact O-N 3.12Å; V281-I285 HydrophobicContact CG1-CD1 3.28Å; V281-I285 HydrophobicContact CG1-CG1 4.04Å; V281-I285 HydrophobicContact CG1-CG2 4.44Å; V281-N294 PolarHBondContact O-ND2 3.32Å
282H97.3Very high96.5Very high64 Ų6463.1 Ų63.130%0.29633%0.331SS..  trans-79.2136.9-176.7-163.5-81.9000111.8N284 I285 Y290 N294H282-N284 WeakPolarHBondContact CB-OD1 3.43Å; H282-N284 VanDerWaalsContact ND1-CB 3.33Å; H282-N284 WeakPolarHBondContact ND1-CB 3.46Å; H282-N284 PolarHBondContact ND1-N 3.03Å; H282-N284 VanDerWaalsContact ND1-N 3.17Å; H282-N284 PolarHBondContact ND1-ND2 2.93Å; H282-N284 PolarHBondContact ND1-OD1 2.92Å; H282-N284 VanDerWaalsContact ND1-OD1 3.13Å; H282-N284 PolarHBondContact O-N 3.25Å; H282-N284 PolarHBondContact O-OD1 2.84Å; H282-I285 WeakPolarHBondContact O-CG1 3.25Å; H282-I285 PolarHBondContact O-N 3.21Å; H282-Y290 AromaticContact CE1-CD1 3.85Å; H282-N294 VanDerWaalsContact CA-ND2 3.28Å; H282-N294 WeakPolarHBondContact CA-ND2 3.25Å; H282-N294 WeakPolarHBondContact CA-OD1 3.48Å
283L98Very high96.4Very high0 Ų066 Ų660%035%0.346CS..G310 helixtrans-57.9-23.9-178.1-176.461.9000113.3Y230 I278 I285 C286 F287 Y290 N294 A299 Y302 I303Y230-L283 HydrophobicContact CD2-CD1 3.98Å; Y230-L283 HydrophobicContact CG-CD1 4.06Å; I278-L283 HydrophobicContact CD1-CB 4.09Å; L283-I285 PolarHBondContact O-N 3.48Å; L283-I285 VanDerWaalsContact O-N 3.11Å; L283-C286 PolarHBondContact O-N 2.95Å; L283-F287 HydrophobicContact CD1-CD2 3.66Å; L283-F287 HydrophobicContact CD1-CE2 3.97Å; L283-F287 HydrophobicContact CD2-CD2 4.22Å; L283-F287 HydrophobicContact CG-CD2 3.82Å; L283-F287 PolarHBondContact O-N 3.45Å; L283-Y290 HydrophobicContact CB-CD1 3.7Å; L283-Y290 HydrophobicContact CB-CE1 3.93Å; L283-Y290 HydrophobicContact CB-CG 4.4Å; L283-Y290 HydrophobicContact CD2-CD1 3.92Å; L283-Y290 HydrophobicContact CD2-CD2 4.09Å; L283-Y290 HydrophobicContact CD2-CE1 4.03Å; L283-Y290 HydrophobicContact CD2-CE2 4.19Å; L283-Y290 HydrophobicContact CD2-CG 3.93Å; L283-Y290 HydrophobicContact CG-CD1 4.1Å; L283-Y290 HydrophobicContact CG-CE1 4.48Å; L283-Y290 HydrophobicContact CG-CG 4.31Å; L283-N294 PolarHBondContact N-OD1 2.8Å; L283-N294 VanDerWaalsContact N-OD1 3.1Å; L283-A299 HydrophobicContact CB-CB 4.41Å; L283-A299 HydrophobicContact CD2-CB 3.81Å; L283-Y302 HydrophobicContact CD2-CD1 3.87Å; L283-Y302 HydrophobicContact CD2-CG 4.38Å; L283-I303 HydrophobicContact CD1-CD1 3.91Å; L283-I303 HydrophobicContact CD1-CG1 4.14Å; L283-I303 HydrophobicContact CD2-CG1 4.2Å
284N96.7Very high96.3Very high69 Ų6965.8 Ų65.837%0.36935%0.345SS..G310 helixtrans-60.5-19.1179.971.6-10.6000114.6H282 C286 F287 P288H282-N284 WeakPolarHBondContact CB-OD1 3.43Å; H282-N284 VanDerWaalsContact ND1-CB 3.33Å; H282-N284 WeakPolarHBondContact ND1-CB 3.46Å; H282-N284 PolarHBondContact ND1-N 3.03Å; H282-N284 VanDerWaalsContact ND1-N 3.17Å; H282-N284 PolarHBondContact ND1-ND2 2.93Å; H282-N284 PolarHBondContact ND1-OD1 2.92Å; H282-N284 VanDerWaalsContact ND1-OD1 3.13Å; H282-N284 PolarHBondContact O-N 3.25Å; H282-N284 PolarHBondContact O-OD1 2.84Å; N284-C286 PolarHBondContact O-N 3.37Å; N284-F287 VanDerWaalsContact CA-O 3.28Å; N284-F287 WeakPolarHBondContact CA-O 3.24Å; N284-F287 CarbonylContact O-C 3.58Å; N284-F287 PolarHBondContact O-N 3.49Å; N284-P288 VanDerWaalsContact O-CA 3.31Å; N284-P288 WeakPolarHBondContact O-CA 3.49Å
285I96.2Very high96.2Very high96 Ų9668.4 Ų68.449%0.49236%0.361SS..G310 helixtrans-65.9-27.9173.871164.2000111.8Y230 D231 V281 H282 L283Y230-I285 HydrophobicContact CD2-CD1 4.48Å; Y230-I285 HydrophobicContact CD2-CG1 4.26Å; Y230-I285 HydrophobicContact CE2-CD1 4.33Å; Y230-I285 HydrophobicContact CE2-CG1 4.28Å; D231-I285 HydrophobicContact CB-CD1 3.49Å; D231-I285 VanDerWaalsContact CB-CD1 3.49Å; V281-I285 HydrophobicContact CG1-CD1 3.28Å; V281-I285 HydrophobicContact CG1-CG1 4.04Å; V281-I285 HydrophobicContact CG1-CG2 4.44Å; H282-I285 WeakPolarHBondContact O-CG1 3.25Å; H282-I285 PolarHBondContact O-N 3.21Å; L283-I285 PolarHBondContact O-N 3.48Å; L283-I285 VanDerWaalsContact O-N 3.11Å
286C97.2Very high96.2Very high1 Ų165.3 Ų65.31%0.00735%0.346CS..THydrogen-bonded Turntrans-93.8-41.2175.3-171.10000110.4Y230 H244 L283 N284Y230-C286 HydrophobicContact CD2-CB 4.23Å; Y230-C286 VanDerWaalsContact O-CB 3.27Å; Y230-C286 WeakPolarHBondContact O-CB 3.36Å; H244-C286 PolarHBondContact CE1-O 3.16Å; H244-C286 PolarHBondContact NE2-O 3.34Å; H244-C286 VanDerWaalsContact NE2-O 3.16Å; L283-C286 PolarHBondContact O-N 2.95Å; N284-C286 PolarHBondContact O-N 3.37Å
287F97.8Very high96.3Very high3 Ų366.1 Ų66.11%0.01335%0.35CS..  trans-123.984.8-176.5-60.4-74.2000109.8M243 L247 L283 N284 E289 Y290 Y302 I303 Q306M243-F287 HydrophobicContact CG-CE2 4.05Å; M243-F287 HydrophobicContact CG-CZ 3.7Å; L247-F287 HydrophobicContact CD1-CE1 3.72Å; L247-F287 HydrophobicContact CD1-CZ 3.82Å; L283-F287 HydrophobicContact CD1-CD2 3.66Å; L283-F287 HydrophobicContact CD1-CE2 3.97Å; L283-F287 HydrophobicContact CD2-CD2 4.22Å; L283-F287 HydrophobicContact CG-CD2 3.82Å; L283-F287 PolarHBondContact O-N 3.45Å; N284-F287 VanDerWaalsContact CA-O 3.28Å; N284-F287 WeakPolarHBondContact CA-O 3.24Å; N284-F287 CarbonylContact O-C 3.58Å; N284-F287 PolarHBondContact O-N 3.49Å; F287-E289 PolarHBondContact O-N 3.48Å; F287-Y290 WeakPolarHBondContact O-CB 3.3Å; F287-Y290 PolarHBondContact O-N 3.45Å; F287-Y302 HydrophobicContact CB-CE1 3.77Å; F287-Y302 HydrophobicContact CD1-CE1 4.08Å; F287-Y302 HydrophobicContact CD2-CD1 4.34Å; F287-Y302 HydrophobicContact CD2-CE1 4.08Å; F287-Y302 HydrophobicContact CG-CD1 4.4Å; F287-Y302 AromaticContact CG-CE1 3.71Å; F287-Y302 HydrophobicContact CG-CE1 3.71Å; F287-I303 HydrophobicContact CE2-CG1 4.05Å; F287-Q306 HydrophobicContact CD1-CG 4.43Å; F287-Q306 HydrophobicContact CE1-CG 4.06Å; F287-Q306 HydrophobicContact CZ-CG 4.34Å
288P97.3Very high96.4Very high100 Ų10067.8 Ų67.865%0.64936%0.361SS*.THydrogen-bonded Turntrans-53.9-26.8-175.2-28.336.3000114.4N284 Y290N284-P288 VanDerWaalsContact O-CA 3.31Å; N284-P288 WeakPolarHBondContact O-CA 3.49Å; P288-Y290 VanDerWaalsContact C-N 3.31Å
289E96.4Very high96.4Very high102 Ų10267.7 Ų67.748%0.47736%0.36SS..THydrogen-bonded Turntrans-77.6-9.2176.571.8-74.8172.600114.6F287 N291 Y302F287-E289 PolarHBondContact O-N 3.48Å; E289-N291 PolarHBondContact O-N 3.48Å; E289-N291 PolarHBondContact O-ND2 3.46Å; E289-Y302 WeakPolarHBondContact CG-OH 3.43Å; E289-Y302 PolarHBondContact OE1-OH 3.35Å
290Y97.5Very high96.5Very high11 Ų1162.8 Ų62.84%0.04333%0.33CS..  trans-75109.4177.4-178.1-105.1000111.6H282 L283 F287 P288 G292 L293 D298 A299 Y302H282-Y290 AromaticContact CE1-CD1 3.85Å; L283-Y290 HydrophobicContact CB-CD1 3.7Å; L283-Y290 HydrophobicContact CB-CE1 3.93Å; L283-Y290 HydrophobicContact CB-CG 4.4Å; L283-Y290 HydrophobicContact CD2-CD1 3.92Å; L283-Y290 HydrophobicContact CD2-CD2 4.09Å; L283-Y290 HydrophobicContact CD2-CE1 4.03Å; L283-Y290 HydrophobicContact CD2-CE2 4.19Å; L283-Y290 HydrophobicContact CD2-CG 3.93Å; L283-Y290 HydrophobicContact CG-CD1 4.1Å; L283-Y290 HydrophobicContact CG-CE1 4.48Å; L283-Y290 HydrophobicContact CG-CG 4.31Å; F287-Y290 WeakPolarHBondContact O-CB 3.3Å; F287-Y290 PolarHBondContact O-N 3.45Å; P288-Y290 VanDerWaalsContact C-N 3.31Å; Y290-G292 WeakPolarHBondContact CE1-O 3.44Å; Y290-G292 VanDerWaalsContact CZ-CA 3.48Å; Y290-L293 PolarHBondContact OH-O 3.01Å; Y290-D298 VanDerWaalsContact OH-C 3.31Å; Y290-D298 VanDerWaalsContact OH-CB 3.31Å; Y290-D298 WeakPolarHBondContact OH-CB 3.18Å; Y290-A299 PolarHBondContact OH-N 2.86Å; Y290-Y302 AromaticContact CD2-CD1 3.75Å; Y290-Y302 HydrophobicContact CD2-CD1 3.75Å; Y290-Y302 AromaticContact CD2-CD2 3.42Å; Y290-Y302 HydrophobicContact CD2-CD2 3.42Å; Y290-Y302 VanDerWaalsContact CD2-CD2 3.42Å; Y290-Y302 HydrophobicContact CD2-CE1 4.14Å; Y290-Y302 AromaticContact CD2-CE2 3.82Å; Y290-Y302 HydrophobicContact CD2-CE2 3.82Å; Y290-Y302 AromaticContact CD2-CG 3.36Å; Y290-Y302 HydrophobicContact CD2-CG 3.36Å; Y290-Y302 HydrophobicContact CE2-CD1 4.35Å; Y290-Y302 AromaticContact CE2-CD2 3.82Å; Y290-Y302 HydrophobicContact CE2-CD2 3.82Å; Y290-Y302 AromaticContact CE2-CG 3.65Å; Y290-Y302 HydrophobicContact CE2-CG 3.65Å; Y290-Y302 HydrophobicContact CG-CD1 4.4Å; Y290-Y302 HydrophobicContact CG-CG 4.4Å
291N94.1Very high96.7Very high152 Ų15259.6 Ų59.681%0.81332%0.321SS*.  trans-108.910.5177.9-62.6-68.1000113.1E289E289-N291 PolarHBondContact O-N 3.48Å; E289-N291 PolarHBondContact O-ND2 3.46Å
292G93.9Very high96.8Very high31 Ų3159.4 Ų59.432%0.3232%0.316SS..SBendtrans-77.6176.1179.200000112.9Y290Y290-G292 WeakPolarHBondContact CE1-O 3.44Å; Y290-G292 VanDerWaalsContact CZ-CA 3.48Å
293L95.4Very high96.9Very high119 Ų11956.4 Ų56.462%0.62330%0.302SS*.  trans-69.6150.6176.4-60.3175.3000111Y290 T295 D298Y290-L293 PolarHBondContact OH-O 3.01Å; L293-T295 HydrophobicContact CB-CG2 3.94Å; L293-T295 HydrophobicContact CD1-CG2 4.47Å; L293-T295 PolarHBondContact O-N 3.12Å; L293-D298 HydrophobicContact CB-CB 4.4Å; L293-D298 WeakPolarHBondContact O-CB 3.4Å
294N93.8Very high96.9Very high41 Ų4159.8 Ų59.822%0.21932%0.316CS..  trans-8639.1179-14835.8000112.6I278 V281 H282 L283I278-N294 WeakPolarHBondContact CD1-OD1 3.47Å; I278-N294 WeakPolarHBondContact CG1-OD1 3.38Å; I278-N294 VanDerWaalsContact O-CG 3.26Å; I278-N294 PolarHBondContact O-ND2 3.41Å; V281-N294 PolarHBondContact O-ND2 3.32Å; H282-N294 VanDerWaalsContact CA-ND2 3.28Å; H282-N294 WeakPolarHBondContact CA-ND2 3.25Å; H282-N294 WeakPolarHBondContact CA-OD1 3.48Å; L283-N294 PolarHBondContact N-OD1 2.8Å; L283-N294 VanDerWaalsContact N-OD1 3.1Å
295T97Very high96.9Very high55 Ų5562.2 Ų62.234%0.33732%0.323SS..SBendtrans-87.3158.2176.275.50000109.9L293 E297 D298 A299L293-T295 HydrophobicContact CB-CG2 3.94Å; L293-T295 HydrophobicContact CD1-CG2 4.47Å; L293-T295 PolarHBondContact O-N 3.12Å; T295-E297 PolarHBondContact O-N 3.19Å; T295-D298 WeakPolarHBondContact OG1-CB 3.27Å; T295-D298 PolarHBondContact OG1-N 2.84Å; T295-D298 PolarHBondContact OG1-OD2 3.02Å; T295-A299 WeakPolarHBondContact O-CB 3.45Å; T295-A299 PolarHBondContact O-N 2.8Å; T295-A299 VanDerWaalsContact O-N 3.08Å
296F97.3Very high97.1Very high51 Ų5159.9 Ų59.922%0.22431%0.31CS..Hα-helixtrans-54.4-42.1173.7173.1-96.9000112.2K271 F274 Q275 G300 L323K271-F296 HydrophobicContact CB-CE2 3.99Å; K271-F296 HydrophobicContact CB-CZ 4.06Å; K271-F296 WeakPolarHBondContact O-CE2 3.48Å; F274-F296 AromaticContact CD1-CD2 3.63Å; F274-F296 HydrophobicContact CD1-CD2 3.63Å; F274-F296 AromaticContact CD1-CE2 3.82Å; F274-F296 HydrophobicContact CD1-CE2 3.82Å; F274-F296 HydrophobicContact CE1-CD2 4.06Å; F274-F296 HydrophobicContact CE1-CE2 4.49Å; Q275-F296 HydrophobicContact CB-CD2 3.7Å; Q275-F296 HydrophobicContact CB-CE2 4.16Å; Q275-F296 HydrophobicContact CB-CG 4.43Å; Q275-F296 HydrophobicContact CG-CB 4.48Å; Q275-F296 HydrophobicContact CG-CD2 4.2Å; Q275-F296 HydrophobicContact CG-CG 4.46Å; F296-G300 WeakPolarHBondContact O-CA 3.34Å; F296-G300 PolarHBondContact O-N 3.34Å; F296-L323 HydrophobicContact CE1-CD1 4.21Å; F296-L323 HydrophobicContact CZ-CD1 4.09Å
297E97Very high97.1Very high142 Ų14259.8 Ų59.866%0.66431%0.31SS*.Hα-helixtrans-71.4-52.2-176.5-65.1-174.8175.700112T295 N301T295-E297 PolarHBondContact O-N 3.19Å; E297-N301 WeakPolarHBondContact O-CB 2.9Å; E297-N301 PolarHBondContact O-N 3.18Å; E297-N301 PolarHBondContact O-ND2 3.28Å
298D97.6Very high97.1Very high69 Ų6961.8 Ų61.837%0.36932%0.321SS..Hα-helixtrans-63.9-49.9-177.3-68.2-72.9000111.3Y290 L293 T295 N301 Y302Y290-D298 VanDerWaalsContact OH-C 3.31Å; Y290-D298 VanDerWaalsContact OH-CB 3.31Å; Y290-D298 WeakPolarHBondContact OH-CB 3.18Å; L293-D298 HydrophobicContact CB-CB 4.4Å; L293-D298 WeakPolarHBondContact O-CB 3.4Å; T295-D298 WeakPolarHBondContact OG1-CB 3.27Å; T295-D298 PolarHBondContact OG1-N 2.84Å; T295-D298 PolarHBondContact OG1-OD2 3.02Å; D298-N301 PolarHBondContact O-N 3.01Å; D298-Y302 WeakPolarHBondContact O-CB 3.32Å; D298-Y302 PolarHBondContact O-N 3.2Å
299A98.2Very high97.1Very high0 Ų060.8 Ų60.80%031%0.31CS..Hα-helixtrans-68.3-40.5-178.800000111.6F274 I278 L283 Y290 T295 Y302 I303F274-A299 HydrophobicContact CE1-CB 4.38Å; F274-A299 HydrophobicContact CZ-CB 3.73Å; I278-A299 HydrophobicContact CD1-CB 3.7Å; I278-A299 HydrophobicContact CG1-CB 3.8Å; L283-A299 HydrophobicContact CB-CB 4.41Å; L283-A299 HydrophobicContact CD2-CB 3.81Å; Y290-A299 PolarHBondContact OH-N 2.86Å; T295-A299 WeakPolarHBondContact O-CB 3.45Å; T295-A299 PolarHBondContact O-N 2.8Å; T295-A299 VanDerWaalsContact O-N 3.08Å; A299-Y302 PolarHBondContact O-N 2.71Å; A299-I303 WeakPolarHBondContact O-CG1 3.47Å; A299-I303 PolarHBondContact O-N 3.01Å
300G98Very high97.1Very high3 Ų358 Ų583%0.03130%0.298CS..Hα-helixtrans-64.3-42.4176.200000112.5F296 Y302 I303 K304F296-G300 WeakPolarHBondContact O-CA 3.34Å; F296-G300 PolarHBondContact O-N 3.34Å; G300-Y302 VanDerWaalsContact C-N 3.34Å; G300-I303 PolarHBondContact O-N 3.23Å; G300-K304 WeakPolarHBondContact O-CB 3.32Å; G300-K304 PolarHBondContact O-N 3.21Å
301N97.9Very high97Very high96 Ų9657.8 Ų57.851%0.51330%0.298SS..Hα-helixtrans-66.5-36175.2-75.7-34.3000112.1E297 D298 K304 K305E297-N301 WeakPolarHBondContact O-CB 2.9Å; E297-N301 PolarHBondContact O-N 3.18Å; E297-N301 PolarHBondContact O-ND2 3.28Å; D298-N301 PolarHBondContact O-N 3.01Å; N301-K304 PolarHBondContact O-N 3.38Å; N301-K305 WeakPolarHBondContact O-CB 3.35Å; N301-K305 PolarHBondContact O-N 3.29Å
302Y98.4Very high97Very high43 Ų4356.5 Ų56.517%0.16929%0.289CS..Hα-helixtrans-62.9-51.3173.4-173.6-93.2000111.5L283 F287 E289 Y290 D298 A299 G300 K304 K305 Q306L283-Y302 HydrophobicContact CD2-CD1 3.87Å; L283-Y302 HydrophobicContact CD2-CG 4.38Å; F287-Y302 HydrophobicContact CB-CE1 3.77Å; F287-Y302 HydrophobicContact CD1-CE1 4.08Å; F287-Y302 HydrophobicContact CD2-CD1 4.34Å; F287-Y302 HydrophobicContact CD2-CE1 4.08Å; F287-Y302 HydrophobicContact CG-CD1 4.4Å; F287-Y302 AromaticContact CG-CE1 3.71Å; F287-Y302 HydrophobicContact CG-CE1 3.71Å; E289-Y302 WeakPolarHBondContact CG-OH 3.43Å; E289-Y302 PolarHBondContact OE1-OH 3.35Å; Y290-Y302 AromaticContact CD2-CD1 3.75Å; Y290-Y302 HydrophobicContact CD2-CD1 3.75Å; Y290-Y302 AromaticContact CD2-CD2 3.42Å; Y290-Y302 HydrophobicContact CD2-CD2 3.42Å; Y290-Y302 VanDerWaalsContact CD2-CD2 3.42Å; Y290-Y302 HydrophobicContact CD2-CE1 4.14Å; Y290-Y302 AromaticContact CD2-CE2 3.82Å; Y290-Y302 HydrophobicContact CD2-CE2 3.82Å; Y290-Y302 AromaticContact CD2-CG 3.36Å; Y290-Y302 HydrophobicContact CD2-CG 3.36Å; Y290-Y302 HydrophobicContact CE2-CD1 4.35Å; Y290-Y302 AromaticContact CE2-CD2 3.82Å; Y290-Y302 HydrophobicContact CE2-CD2 3.82Å; Y290-Y302 AromaticContact CE2-CG 3.65Å; Y290-Y302 HydrophobicContact CE2-CG 3.65Å; Y290-Y302 HydrophobicContact CG-CD1 4.4Å; Y290-Y302 HydrophobicContact CG-CG 4.4Å; D298-Y302 WeakPolarHBondContact O-CB 3.32Å; D298-Y302 PolarHBondContact O-N 3.2Å; A299-Y302 PolarHBondContact O-N 2.71Å; G300-Y302 VanDerWaalsContact C-N 3.34Å; Y302-K304 VanDerWaalsContact C-N 3.29Å; Y302-K304 PolarHBondContact O-N 2.99Å; Y302-K305 WeakPolarHBondContact O-CA 3.28Å; Y302-K305 WeakPolarHBondContact O-CB 3.42Å; Y302-K305 PolarHBondContact O-N 3.46Å; Y302-Q306 HydrophobicContact CD1-CG 3.89Å; Y302-Q306 HydrophobicContact CE1-CG 3.57Å; Y302-Q306 WeakPolarHBondContact O-CG 3.31Å; Y302-Q306 PolarHBondContact O-N 3.32Å
303I98.5Very high96.8Very high0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-57.9-44.8177.1-65.3166.6000110.5L227 M243 F274 L283 F287 A299 G300 K305 Q306 F307L227-I303 HydrophobicContact CD2-CB 4.17Å; L227-I303 HydrophobicContact CD2-CD1 3.97Å; L227-I303 HydrophobicContact CD2-CG2 3.79Å; M243-I303 HydrophobicContact CE-CD1 4.27Å; M243-I303 HydrophobicContact CE-CG2 4Å; M243-I303 HydrophobicContact SD-CG2 4.04Å; F274-I303 HydrophobicContact CE2-CD1 3.78Å; F274-I303 HydrophobicContact CZ-CD1 3.86Å; L283-I303 HydrophobicContact CD1-CD1 3.91Å; L283-I303 HydrophobicContact CD1-CG1 4.14Å; L283-I303 HydrophobicContact CD2-CG1 4.2Å; F287-I303 HydrophobicContact CE2-CG1 4.05Å; A299-I303 WeakPolarHBondContact O-CG1 3.47Å; A299-I303 PolarHBondContact O-N 3.01Å; G300-I303 PolarHBondContact O-N 3.23Å; I303-K305 VanDerWaalsContact C-N 3.3Å; I303-K305 PolarHBondContact O-N 2.99Å; I303-Q306 WeakPolarHBondContact O-CB 3.48Å; I303-Q306 PolarHBondContact O-N 3.45Å; I303-Q306 VanDerWaalsContact O-N 3.15Å; I303-F307 HydrophobicContact CG2-CD2 4.02Å; I303-F307 HydrophobicContact CG2-CE2 3.87Å; I303-F307 WeakPolarHBondContact O-CD2 3.26Å; I303-F307 PolarHBondContact O-N 3.22Å
304K98.4Very high96.3Very high71 Ų7158.3 Ų58.331%0.30928%0.281SS..Hα-helixtrans-53.6-48.3174.2173.2172.8174.3174.90111.7L268 G300 N301 Y302 Q306 F307 L308 C321L268-K304 HydrophobicContact CD1-CB 3.64Å; L268-K304 HydrophobicContact CD1-CG 4.25Å; G300-K304 WeakPolarHBondContact O-CB 3.32Å; G300-K304 PolarHBondContact O-N 3.21Å; N301-K304 PolarHBondContact O-N 3.38Å; Y302-K304 VanDerWaalsContact C-N 3.29Å; Y302-K304 PolarHBondContact O-N 2.99Å; K304-Q306 PolarHBondContact O-N 2.93Å; K304-F307 PolarHBondContact O-N 2.85Å; K304-L308 HydrophobicContact CD-CD1 4.49Å; K304-L308 HydrophobicContact CG-CD1 3.85Å; K304-L308 HydrophobicContact CG-CG 4.37Å; K304-L308 WeakPolarHBondContact O-CG 3.21Å; K304-L308 PolarHBondContact O-N 2.72Å; K304-C321 HydrophobicContact CD-CB 4.36Å; K304-C321 HydrophobicContact CG-CB 4.41Å
305K97.8Very high95.9Very high120 Ų12065.5 Ų65.552%0.52231%0.314SS..Hα-helixtrans-60-44.5177.6-176.6-179.5176.7-173.70111.6N301 Y302 I303 F307 L308 D309N301-K305 WeakPolarHBondContact O-CB 3.35Å; N301-K305 PolarHBondContact O-N 3.29Å; Y302-K305 WeakPolarHBondContact O-CA 3.28Å; Y302-K305 WeakPolarHBondContact O-CB 3.42Å; Y302-K305 PolarHBondContact O-N 3.46Å; I303-K305 VanDerWaalsContact C-N 3.3Å; I303-K305 PolarHBondContact O-N 2.99Å; K305-F307 VanDerWaalsContact C-N 3.25Å; K305-F307 PolarHBondContact O-N 3.37Å; K305-L308 PolarHBondContact O-N 2.93Å; K305-L308 VanDerWaalsContact O-N 3.13Å; K305-D309 WeakPolarHBondContact CE-OD2 3.14Å; K305-D309 VanDerWaalsContact CG-OD2 3.3Å; K305-D309 WeakPolarHBondContact CG-OD2 3.29Å; K305-D309 WeakPolarHBondContact O-CB 3.35Å; K305-D309 PolarHBondContact O-N 2.88Å
306Q98.4Very high95.2Very high47 Ų4769.7 Ų69.722%0.2233%0.334CS..Hα-helixtrans-56.2-38.9177.7-64.3-62.68800112.3L247 F287 Y302 I303 K304 L310L247-Q306 HydrophobicContact CD1-CB 4.46Å; L247-Q306 HydrophobicContact CD2-CB 4.02Å; F287-Q306 HydrophobicContact CD1-CG 4.43Å; F287-Q306 HydrophobicContact CE1-CG 4.06Å; F287-Q306 HydrophobicContact CZ-CG 4.34Å; Y302-Q306 HydrophobicContact CD1-CG 3.89Å; Y302-Q306 HydrophobicContact CE1-CG 3.57Å; Y302-Q306 WeakPolarHBondContact O-CG 3.31Å; Y302-Q306 PolarHBondContact O-N 3.32Å; I303-Q306 WeakPolarHBondContact O-CB 3.48Å; I303-Q306 PolarHBondContact O-N 3.45Å; I303-Q306 VanDerWaalsContact O-N 3.15Å; K304-Q306 PolarHBondContact O-N 2.93Å; Q306-L310 WeakPolarHBondContact O-CG 3.49Å
307F98.4Very high94.7Very high0 Ų067.9 Ų67.90%033%0.326CS..Hα-helixtrans-71.2-47.8174.3-81.6-84.5000112.6F223 A225 M243 L247 F250 L266 L268 I303 K304 K305 D309 L310F223-F307 HydrophobicContact CE1-CE1 4.13Å; A225-F307 HydrophobicContact CB-CE1 4.06Å; A225-F307 HydrophobicContact CB-CE2 4.06Å; A225-F307 HydrophobicContact CB-CZ 3.55Å; M243-F307 HydrophobicContact SD-CE2 3.74Å; M243-F307 HydrophobicContact SD-CZ 4.02Å; L247-F307 HydrophobicContact CD2-CB 4.43Å; L247-F307 HydrophobicContact CD2-CD1 3.76Å; L247-F307 HydrophobicContact CD2-CD2 3.71Å; L247-F307 HydrophobicContact CD2-CE1 3.8Å; L247-F307 HydrophobicContact CD2-CE2 3.74Å; L247-F307 HydrophobicContact CD2-CG 3.7Å; L247-F307 HydrophobicContact CD2-CZ 3.77Å; L247-F307 HydrophobicContact CG-CE1 4.28Å; L247-F307 HydrophobicContact CG-CE2 4.24Å; L247-F307 HydrophobicContact CG-CZ 4.02Å; F250-F307 HydrophobicContact CB-CD1 3.75Å; F250-F307 HydrophobicContact CB-CE1 3.74Å; F250-F307 HydrophobicContact CD1-CB 4.45Å; F250-F307 AromaticContact CD1-CD1 3.71Å; F250-F307 HydrophobicContact CD1-CD1 3.71Å; F250-F307 HydrophobicContact CD2-CD1 4.21Å; F250-F307 HydrophobicContact CE1-CB 4.43Å; F250-F307 HydrophobicContact CE1-CD1 4.36Å; F250-F307 VanDerWaalsContact CE1-O 3.3Å; F250-F307 WeakPolarHBondContact CE1-O 3.28Å; F250-F307 AromaticContact CG-CD1 3.61Å; F250-F307 HydrophobicContact CG-CD1 3.61Å; F250-F307 HydrophobicContact CG-CE1 4.09Å; L266-F307 HydrophobicContact CD1-CD1 4.2Å; L266-F307 HydrophobicContact CD1-CG 4.46Å; L266-F307 HydrophobicContact CD2-CB 3.41Å; L266-F307 VanDerWaalsContact CD2-CB 3.41Å; L266-F307 HydrophobicContact CD2-CD1 4.24Å; L266-F307 HydrophobicContact CD2-CD2 4.46Å; L266-F307 HydrophobicContact CD2-CG 3.81Å; L268-F307 HydrophobicContact CD2-CD2 3.88Å; L268-F307 HydrophobicContact CD2-CE2 4.02Å; I303-F307 HydrophobicContact CG2-CD2 4.02Å; I303-F307 HydrophobicContact CG2-CE2 3.87Å; I303-F307 WeakPolarHBondContact O-CD2 3.26Å; I303-F307 PolarHBondContact O-N 3.22Å; K304-F307 PolarHBondContact O-N 2.85Å; K305-F307 VanDerWaalsContact C-N 3.25Å; K305-F307 PolarHBondContact O-N 3.37Å; F307-D309 VanDerWaalsContact C-N 3.26Å; F307-D309 PolarHBondContact O-N 2.98Å; F307-L310 WeakPolarHBondContact O-CB 3.46Å; F307-L310 PolarHBondContact O-N 3.2Å; F307-L310 VanDerWaalsContact O-N 3.17Å
308L97.5Very high94.2Very high45 Ų4567.3 Ų67.324%0.23632%0.323CS..Hα-helixtrans-65.3-30.7-176.5-66.5178.9000112.4K304 K305 L310 N311 K314 I319 C321K304-L308 HydrophobicContact CD-CD1 4.49Å; K304-L308 HydrophobicContact CG-CD1 3.85Å; K304-L308 HydrophobicContact CG-CG 4.37Å; K304-L308 WeakPolarHBondContact O-CG 3.21Å; K304-L308 PolarHBondContact O-N 2.72Å; K305-L308 PolarHBondContact O-N 2.93Å; K305-L308 VanDerWaalsContact O-N 3.13Å; L308-L310 PolarHBondContact O-N 2.81Å; L308-N311 WeakPolarHBondContact O-CB 3.2Å; L308-N311 PolarHBondContact O-N 3.38Å; L308-K314 WeakPolarHBondContact O-CE 3.45Å; L308-I319 HydrophobicContact CD2-CB 3.8Å; L308-I319 HydrophobicContact CD2-CG2 3.74Å; L308-C321 HydrophobicContact CD2-CB 4.36Å
309D96.9Very high94Very high78 Ų7864.7 Ų64.742%0.41731%0.309SS..THydrogen-bonded Turntrans-71.4-15.3177.4-75.4-16.7000113.9K305 F307 N311 K314K305-D309 WeakPolarHBondContact CE-OD2 3.14Å; K305-D309 VanDerWaalsContact CG-OD2 3.3Å; K305-D309 WeakPolarHBondContact CG-OD2 3.29Å; K305-D309 WeakPolarHBondContact O-CB 3.35Å; K305-D309 PolarHBondContact O-N 2.88Å; F307-D309 VanDerWaalsContact C-N 3.26Å; F307-D309 PolarHBondContact O-N 2.98Å; D309-N311 VanDerWaalsContact C-N 3.27Å; D309-N311 PolarHBondContact O-N 3.45Å; D309-K314 IonicContact OD1-NZ 2.63Å; D309-K314 PolarHBondContact OD1-NZ 3.49Å
310L97.3Very high93.7Very high43 Ų4367 Ų6723%0.22532%0.318CS..THydrogen-bonded Turntrans-75.6-15.6172.9-64.3169000113.3L247 F250 N251 N255 Q306 F307 L308 I312L247-L310 HydrophobicContact CB-CD1 4.13Å; L247-L310 HydrophobicContact CD2-CD1 3.74Å; L247-L310 WeakPolarHBondContact O-CD1 3.33Å; F250-L310 HydrophobicContact CD1-CB 4.24Å; F250-L310 HydrophobicContact CD1-CD1 4.01Å; N251-L310 HydrophobicContact CB-CB 4.38Å; N251-L310 HydrophobicContact CB-CD1 4.11Å; N251-L310 HydrophobicContact CB-CD2 4.13Å; N251-L310 HydrophobicContact CB-CG 4.44Å; N255-L310 PolarHBondContact ND2-O 3.42Å; Q306-L310 WeakPolarHBondContact O-CG 3.49Å; F307-L310 WeakPolarHBondContact O-CB 3.46Å; F307-L310 PolarHBondContact O-N 3.2Å; F307-L310 VanDerWaalsContact O-N 3.17Å; L308-L310 PolarHBondContact O-N 2.81Å; L310-I312 PolarHBondContact O-N 2.93Å
311N95.9Very high93.6Very high8 Ų867.9 Ų67.94%0.04332%0.323CS..  trans-73.2112.2174.9-175.49.6000109.8L308 D309 R313 K314 K317 I319L308-N311 WeakPolarHBondContact O-CB 3.2Å; L308-N311 PolarHBondContact O-N 3.38Å; D309-N311 VanDerWaalsContact C-N 3.27Å; D309-N311 PolarHBondContact O-N 3.45Å; N311-R313 VanDerWaalsContact C-N 3.31Å; N311-R313 PolarHBondContact OD1-N 3.39Å; N311-K314 HydrophobicContact CB-CG 4.11Å; N311-K314 WeakPolarHBondContact O-CE 3.39Å; N311-K314 WeakPolarHBondContact O-CG 3.47Å; N311-K317 PolarHBondContact ND2-O 3.05Å; N311-I319 HydrophobicContact CB-CD1 3.46Å; N311-I319 VanDerWaalsContact CB-CD1 3.46Å; N311-I319 WeakPolarHBondContact ND2-CD1 3.43Å
312I93.4Very high93.5Very high124 Ų12465.3 Ų65.364%0.63631%0.308SS*.SBendtrans-84.7-8.9177.973.6-170.5000112.4N255 L310N255-I312 HydrophobicContact CB-CD1 4.18Å; N255-I312 WeakPolarHBondContact OD1-CG1 2.87Å; N255-I312 PolarHBondContact OD1-N 3.31Å; L310-I312 PolarHBondContact O-N 2.93Å
313R88.6Confident93.4Very high75 Ų7566 Ų6628%0.28332%0.315SS..  trans-114.241.9-176.9-56.1-174.7-170.9177.72.6111.5N311 E315 D316 K317N311-R313 VanDerWaalsContact C-N 3.31Å; N311-R313 PolarHBondContact OD1-N 3.39Å; R313-E315 PolarHBondContact O-N 3Å; R313-E315 VanDerWaalsContact O-N 3.12Å; R313-D316 HydrophobicContact CB-CB 4.5Å; R313-D316 PolarHBondContact O-N 3.48Å; R313-K317 HydrophobicContact CB-CB 4.47Å; R313-K317 PolarHBondContact O-N 3.39Å
314K86.1Confident93.4Very high113 Ų11366.2 Ų66.249%0.49132%0.316SS..THydrogen-bonded Turntrans-58.6-26.1-175.8-61.2-176.5174.9-179.50113.5L308 D309 N311L308-K314 WeakPolarHBondContact O-CE 3.45Å; D309-K314 IonicContact OD1-NZ 2.63Å; D309-K314 PolarHBondContact OD1-NZ 3.49Å; N311-K314 HydrophobicContact CB-CG 4.11Å; N311-K314 WeakPolarHBondContact O-CE 3.39Å; N311-K314 WeakPolarHBondContact O-CG 3.47Å
315E84.5Confident93.3Very high193 Ų19363.3 Ų63.390%0.90230%0.304SS*.THydrogen-bonded Turntrans-76.9-32178.6-62-17617800112.5R313R313-E315 PolarHBondContact O-N 3Å; R313-E315 VanDerWaalsContact O-N 3.12Å
316D83.7Confident93.2Very high142 Ų14257.8 Ų57.876%0.75928%0.281SS*.THydrogen-bonded Turntrans-100.3-22.7-175.2-54.7-48.8000113.1R313R313-D316 HydrophobicContact CB-CB 4.5Å; R313-D316 PolarHBondContact O-N 3.48Å
317K85.4Confident93.1Very high14 Ų1457 Ų576%0.06128%0.279CS..  trans-142.5109.7-168.5-179176.3178.5168.60110.9F259 T262 I264 N311 R313F259-K317 PolarHBondContact O-NZ 3.2Å; T262-K317 WeakPolarHBondContact O-CE 3.32Å; T262-K317 PolarHBondContact O-NZ 2.89Å; I264-K317 VanDerWaalsContact CD1-CE 3.47Å; I264-K317 VanDerWaalsContact CG1-CE 3.49Å; N311-K317 PolarHBondContact ND2-O 3.05Å; R313-K317 HydrophobicContact CB-CB 4.47Å; R313-K317 PolarHBondContact O-N 3.39Å
318E86.8Confident93.1Very high129 Ų12960.1 Ų60.160%0.60330%0.296SS*.  trans-81.6143.5171.9-168.2166.3-167.900110.7Y320E318-Y320 HydrophobicContact CB-CE2 4.49Å; E318-Y320 HydrophobicContact CG-CE1 4.21Å
319I93.3Very high93Very high15 Ų1559.9 Ų59.98%0.07730%0.297CS..EExtended strand (participates in β ladder)trans-113.3117.9172.8-66.5154.4000108.2F250 I264 L266 L308 N311 C321F250-I319 HydrophobicContact CE1-CD1 4.19Å; F250-I319 HydrophobicContact CZ-CD1 3.86Å; F250-I319 HydrophobicContact CZ-CG2 4.24Å; I264-I319 HydrophobicContact CB-CG1 4.25Å; I264-I319 HydrophobicContact CG2-CG1 4.47Å; I264-I319 HydrophobicContact CG2-CG2 4.28Å; I264-I319 WeakPolarHBondContact O-CA 3.45Å; L266-I319 HydrophobicContact CB-CG2 3.85Å; L308-I319 HydrophobicContact CD2-CB 3.8Å; L308-I319 HydrophobicContact CD2-CG2 3.74Å; N311-I319 HydrophobicContact CB-CD1 3.46Å; N311-I319 VanDerWaalsContact CB-CD1 3.46Å; N311-I319 WeakPolarHBondContact ND2-CD1 3.43Å; I319-C321 PolarHBondContact O-N 3.2Å
320Y92.6Very high93Very high49 Ų4962.5 Ų62.519%0.19231%0.307CS..EExtended strand (participates in β ladder)trans-86.5116179.9-55.4-84.6000109.5I264 V265 L266 E318 I342 E346I264-Y320 PolarHBondContact O-N 2.94Å; V265-Y320 CarbonylContact C-O 3.59Å; V265-Y320 WeakPolarHBondContact CA-O 3.39Å; L266-Y320 PolarHBondContact N-O 3.13Å; E318-Y320 HydrophobicContact CB-CE2 4.49Å; E318-Y320 HydrophobicContact CG-CE1 4.21Å; Y320-I342 HydrophobicContact CD1-CD1 3.54Å; Y320-I342 HydrophobicContact CD1-CG1 4.26Å; Y320-I342 HydrophobicContact CD1-CG2 4.39Å; Y320-I342 HydrophobicContact CD2-CD1 4.26Å; Y320-I342 HydrophobicContact CD2-CG2 3.68Å; Y320-I342 HydrophobicContact CE1-CD1 3.96Å; Y320-I342 HydrophobicContact CE1-CG1 4.17Å; Y320-I342 HydrophobicContact CE1-CG2 4.03Å; Y320-I342 HydrophobicContact CE2-CG2 3.26Å; Y320-I342 HydrophobicContact CG-CD1 3.68Å; Y320-I342 HydrophobicContact CG-CG2 4.21Å; Y320-I342 VanDerWaalsContact CZ-CG2 3.43Å; Y320-E346 PolarHBondContact OH-OE1 3.28Å; Y320-E346 VanDerWaalsContact OH-OE1 3.06Å
321C95.8Very high92.8Very high20 Ų2061.5 Ų61.514%0.13530%0.301CS..EExtended strand (participates in β ladder)trans-110.8127.1-174.5177.70000112L266 L268 K304 L308 I319L266-C321 HydrophobicContact CB-CB 4.23Å; L266-C321 HydrophobicContact CD2-CB 4.32Å; L266-C321 CarbonylContact O-C 3.59Å; L266-C321 VanDerWaalsContact O-CA 3.31Å; L266-C321 WeakPolarHBondContact O-CA 3.36Å; L268-C321 VanDerWaalsContact CD1-SG 3.51Å; K304-C321 HydrophobicContact CD-CB 4.36Å; K304-C321 HydrophobicContact CG-CB 4.41Å; L308-C321 HydrophobicContact CD2-CB 4.36Å; I319-C321 PolarHBondContact O-N 3.2Å
322H95.9Very high92.7Very high43 Ų4361.4 Ų61.420%0.19930%0.301CS..EExtended strand (participates in β ladder)trans-125.9136.6178.6-62-88000111.3L266 F267 L268 T324 V335L266-H322 PolarHBondContact O-N 3.28Å; F267-H322 HydrophobicContact CD1-CB 4.14Å; F267-H322 HydrophobicContact CE1-CB 4.32Å; L268-H322 PolarHBondContact N-O 3.46Å; H322-T324 HydrophobicContact CB-CG2 4.23Å; H322-V335 HydrophobicContact CB-CG1 3.71Å; H322-V335 HydrophobicContact CB-CG2 4.24Å
323L96.4Very high92.7Very high58 Ų5859.9 Ų59.930%0.30429%0.29SS..EExtended strand (participates in β ladder)trans-79.6121.7167.7-64.8169.5000108.6L227 L268 K271 F296L227-L323 HydrophobicContact CD1-CD2 3.64Å; L268-L323 HydrophobicContact CB-CD2 3.85Å; L268-L323 HydrophobicContact CD1-CD2 4.07Å; L268-L323 WeakPolarHBondContact O-CA 3.44Å; K271-L323 HydrophobicContact CD-CB 4.17Å; F296-L323 HydrophobicContact CE1-CD1 4.21Å; F296-L323 HydrophobicContact CZ-CD1 4.09Å
324T97.3Very high92.8Very high3 Ų363.4 Ų63.42%0.01831%0.307CS..  trans-124.1151.8-173.858.20000113.1F267 L268 N269 K270 K271 H322 N331 V335F267-T324 HydrophobicContact CB-CG2 4.2Å; F267-T324 HydrophobicContact CD1-CG2 3.92Å; F267-T324 HydrophobicContact CD2-CG2 4.27Å; F267-T324 HydrophobicContact CE1-CG2 4.36Å; F267-T324 HydrophobicContact CG-CG2 3.87Å; L268-T324 PolarHBondContact O-N 3.48Å; N269-T324 CarbonylContact C-O 3.58Å; N269-T324 VanDerWaalsContact CA-O 3.3Å; N269-T324 WeakPolarHBondContact CA-O 3.5Å; N269-T324 VanDerWaalsContact CA-OG1 3.24Å; N269-T324 WeakPolarHBondContact CA-OG1 3.21Å; N269-T324 WeakPolarHBondContact CB-OG1 3.4Å; N269-T324 PolarHBondContact OD1-O 2.91Å; N269-T324 PolarHBondContact OD1-OG1 3.44Å; K270-T324 PolarHBondContact N-O 2.9Å; K271-T324 WeakPolarHBondContact CG-O 3.44Å; K271-T324 PolarHBondContact N-O 3.04Å; K271-T324 VanDerWaalsContact N-O 3.14Å; H322-T324 HydrophobicContact CB-CG2 4.23Å; T324-N331 VanDerWaalsContact CA-OD1 3.26Å; T324-N331 WeakPolarHBondContact CA-OD1 3.33Å; T324-V335 HydrophobicContact CG2-CB 4.41Å; T324-V335 HydrophobicContact CG2-CG1 3.98Å; T324-V335 HydrophobicContact CG2-CG2 4.17Å
325C97.2Very high92.9Very high10 Ų1058.2 Ų58.27%0.06829%0.285CS..  trans-122.699.1162.6178.50000106.4K271 T327 D328 N331K271-C325 HydrophobicContact CG-CB 4.18Å; C325-T327 PolarHBondContact O-N 2.84Å; C325-T327 VanDerWaalsContact O-N 3.14Å; C325-T327 PolarHBondContact SG-OG1 2.96Å; C325-D328 HydrophobicContact CB-CB 3.94Å; C325-D328 PolarHBondContact O-N 3.38Å; C325-N331 PolarHBondContact N-OD1 2.92Å
326A96.8Very high93.2Very high4 Ų449.1 Ų49.13%0.03324%0.243CC..THydrogen-bonded Turntrans-64-19.2-173.700000113.6T48 I49 Q52 N269T48-A326 HydrophobicContact CG2-CB 3.75Å; T48-A326 WeakPolarHBondContact CG2-O 3.47Å; I49-A326 HydrophobicContact CG1-CB 4.04Å; Q52-A326 VanDerWaalsContact CG-O 3.26Å; Q52-A326 WeakPolarHBondContact CG-O 3.45Å; Q52-A326 PolarHBondContact NE2-O 3.34Å; N269-A326 WeakPolarHBondContact OD1-CB 3.36Å; N269-A326 PolarHBondContact OD1-N 3.45Å
327T96.3Very high93.5Very high30 Ų3044.5 Ų44.518%0.18422%0.218CC..THydrogen-bonded Turntrans-85.8-6.3174.546.60000113.1T48 Q172 C325T48-T327 HydrophobicContact CG2-CG2 4.21Å; Q172-T327 PolarHBondContact NE2-O 3.47Å; Q172-T327 VanDerWaalsContact NE2-O 3.15Å; Q172-T327 PolarHBondContact OE1-O 3.11Å; C325-T327 PolarHBondContact O-N 2.84Å; C325-T327 VanDerWaalsContact O-N 3.14Å; C325-T327 PolarHBondContact SG-OG1 2.96Å
328D97.2Very high93.4Very high66 Ų6645.1 Ų45.135%0.35323%0.226SC..  trans-99.3106.2173175.7-9.2000110.2C325 Q330 N331 V332C325-D328 HydrophobicContact CB-CB 3.94Å; C325-D328 PolarHBondContact O-N 3.38Å; D328-Q330 VanDerWaalsContact C-N 3.32Å; D328-Q330 PolarHBondContact O-N 2.93Å; D328-Q330 PolarHBondContact OD1-N 3.33Å; D328-N331 HydrophobicContact CB-CB 3.91Å; D328-N331 PolarHBondContact O-N 3.41Å; D328-N331 PolarHBondContact OD1-N 2.99Å; D328-N331 WeakPolarHBondContact OD2-CB 3.4Å; D328-V332 WeakPolarHBondContact O-CG2 3.21Å; D328-V332 PolarHBondContact O-N 2.99Å
329T96.4Very high93.4Very high40 Ų4039 Ų3925%0.24520%0.197CC..Hα-helixtrans-61.7-36-177.7-58.50000113.1Q52 I55 I56 K333Q52-T329 PolarHBondContact NE2-OG1 3.07Å; Q52-T329 PolarHBondContact OE1-OG1 3.16Å; I55-T329 HydrophobicContact CG2-CG2 4.11Å; I56-T329 HydrophobicContact CD1-CG2 4.31Å; I56-T329 HydrophobicContact CG1-CG2 3.86Å; T329-K333 VanDerWaalsContact O-CB 3.27Å; T329-K333 WeakPolarHBondContact O-CB 3.27Å; T329-K333 PolarHBondContact O-N 3.16Å
330Q95.2Very high93.1Very high134 Ų13438.3 Ų38.363%0.62619%0.194SC*.Hα-helixtrans-71.3-41.2179.3-66.5-60.9-29.600110.8D328 K333 F334D328-Q330 VanDerWaalsContact C-N 3.32Å; D328-Q330 PolarHBondContact O-N 2.93Å; D328-Q330 PolarHBondContact OD1-N 3.33Å; Q330-K333 PolarHBondContact O-N 3.02Å; Q330-F334 WeakPolarHBondContact O-CB 3.47Å; Q330-F334 PolarHBondContact O-N 3.03Å
331N94.4Very high92.7Very high21 Ų2139.9 Ų39.911%0.11221%0.205CC..Hα-helixtrans-62.6-44.9176179.7-123.1000111.9K271 T324 C325 D328 V335K271-N331 PolarHBondContact NZ-ND2 2.96Å; T324-N331 VanDerWaalsContact CA-OD1 3.26Å; T324-N331 WeakPolarHBondContact CA-OD1 3.33Å; C325-N331 PolarHBondContact N-OD1 2.92Å; D328-N331 HydrophobicContact CB-CB 3.91Å; D328-N331 PolarHBondContact O-N 3.41Å; D328-N331 PolarHBondContact OD1-N 2.99Å; D328-N331 WeakPolarHBondContact OD2-CB 3.4Å; N331-V335 WeakPolarHBondContact O-CB 3.29Å; N331-V335 VanDerWaalsContact O-CG2 3.28Å; N331-V335 WeakPolarHBondContact O-CG2 3.26Å; N331-V335 PolarHBondContact O-N 3.07Å
332V93.8Very high91.9Very high6 Ų640.3 Ų40.34%0.03621%0.206CC..Hα-helixtrans-65.9-41.7178.2175.20000111.5Q52 M53 I56 D328 V335 F336Q52-V332 HydrophobicContact CB-CB 4.32Å; Q52-V332 HydrophobicContact CB-CG1 3.73Å; Q52-V332 HydrophobicContact CG-CB 4.24Å; Q52-V332 HydrophobicContact CG-CG1 4.13Å; Q52-V332 HydrophobicContact CG-CG2 4.11Å; M53-V332 HydrophobicContact CE-CG1 3.59Å; I56-V332 HydrophobicContact CD1-CB 4.37Å; I56-V332 HydrophobicContact CD1-CG1 4.06Å; D328-V332 WeakPolarHBondContact O-CG2 3.21Å; D328-V332 PolarHBondContact O-N 2.99Å; V332-V335 PolarHBondContact O-N 3.05Å; V332-F336 VanDerWaalsContact O-CB 3.25Å; V332-F336 WeakPolarHBondContact O-CB 3.43Å; V332-F336 PolarHBondContact O-N 2.74Å
333K93.2Very high91.2Very high92 Ų9238.5 Ų38.540%0.420%0.198SC..Hα-helixtrans-56.9-52.7175.8-177.1177.4179.4179.90111.7I56 T329 Q330 V335 F336 D337I56-K333 HydrophobicContact CD1-CB 3.92Å; I56-K333 HydrophobicContact CG1-CB 4.43Å; I56-K333 HydrophobicContact CG2-CB 4.32Å; I56-K333 HydrophobicContact CG2-CD 4.19Å; I56-K333 HydrophobicContact CG2-CG 3.95Å; T329-K333 VanDerWaalsContact O-CB 3.27Å; T329-K333 WeakPolarHBondContact O-CB 3.27Å; T329-K333 PolarHBondContact O-N 3.16Å; Q330-K333 PolarHBondContact O-N 3.02Å; K333-V335 VanDerWaalsContact C-N 3.34Å; K333-V335 PolarHBondContact O-N 3.36Å; K333-F336 PolarHBondContact O-N 2.66Å; K333-D337 VanDerWaalsContact O-CG 3.25Å; K333-D337 PolarHBondContact O-N 3.02Å
334F90.2Very high90.4Very high149 Ų14937.8 Ų37.865%0.65419%0.194SC*.Hα-helixtrans-59.7-43.9179.7177.2-95.3000112.5Q330 A338Q330-F334 WeakPolarHBondContact O-CB 3.47Å; Q330-F334 PolarHBondContact O-N 3.03Å; F334-A338 PolarHBondContact O-N 2.99Å
335V89.6Confident89.4Confident5 Ų544.2 Ų44.23%0.0322%0.221CC..Hα-helixtrans-68.3-39.8179.9171.70000111F267 H322 T324 N331 V332 K333 A338 V339F267-V335 HydrophobicContact CD1-CG1 4.11Å; F267-V335 HydrophobicContact CE1-CG1 3.26Å; F267-V335 HydrophobicContact CZ-CG1 3.53Å; H322-V335 HydrophobicContact CB-CG1 3.71Å; H322-V335 HydrophobicContact CB-CG2 4.24Å; T324-V335 HydrophobicContact CG2-CB 4.41Å; T324-V335 HydrophobicContact CG2-CG1 3.98Å; T324-V335 HydrophobicContact CG2-CG2 4.17Å; N331-V335 WeakPolarHBondContact O-CB 3.29Å; N331-V335 VanDerWaalsContact O-CG2 3.28Å; N331-V335 WeakPolarHBondContact O-CG2 3.26Å; N331-V335 PolarHBondContact O-N 3.07Å; V332-V335 PolarHBondContact O-N 3.05Å; K333-V335 VanDerWaalsContact C-N 3.34Å; K333-V335 PolarHBondContact O-N 3.36Å; V335-A338 PolarHBondContact O-N 3.38Å; V335-V339 HydrophobicContact CG1-CG2 4.39Å; V335-V339 VanDerWaalsContact O-CG2 3.25Å; V335-V339 WeakPolarHBondContact O-CG2 3.31Å; V335-V339 PolarHBondContact O-N 3.18Å
336F89.7Confident88.3Confident2 Ų245.8 Ų45.81%0.00923%0.228CC..Hα-helixtrans-68.6-36.5179-166.9-96.3000112.5L36 M53 H57 F189 F191 F196 M198 I222 V332 K333 V339 T340L36-F336 HydrophobicContact CD1-CE2 3.76Å; L36-F336 HydrophobicContact CD1-CZ 3.81Å; M53-F336 HydrophobicContact CE-CB 4.11Å; M53-F336 HydrophobicContact CE-CD1 4.46Å; M53-F336 HydrophobicContact CE-CD2 3.86Å; M53-F336 HydrophobicContact CE-CE2 4.47Å; M53-F336 HydrophobicContact CE-CG 3.87Å; M53-F336 HydrophobicContact SD-CD1 3.91Å; M53-F336 HydrophobicContact SD-CD2 3.58Å; M53-F336 VanDerWaalsContact SD-CD2 3.58Å; M53-F336 HydrophobicContact SD-CE1 3.94Å; M53-F336 HydrophobicContact SD-CE2 3.61Å; M53-F336 HydrophobicContact SD-CG 3.74Å; M53-F336 HydrophobicContact SD-CZ 3.81Å; H57-F336 AromaticContact NE2-CD1 3.6Å; H57-F336 AromaticContact NE2-CE1 3.9Å; F189-F336 AromaticContact CE2-CE1 3.82Å; F189-F336 HydrophobicContact CE2-CE1 3.82Å; F189-F336 AromaticContact CE2-CZ 3.83Å; F189-F336 HydrophobicContact CE2-CZ 3.83Å; F189-F336 HydrophobicContact CZ-CE1 4.05Å; F189-F336 HydrophobicContact CZ-CE2 4.36Å; F189-F336 AromaticContact CZ-CZ 3.59Å; F189-F336 HydrophobicContact CZ-CZ 3.59Å; F191-F336 HydrophobicContact CD1-CE1 4.23Å; F196-F336 HydrophobicContact CD1-CZ 4.25Å; F196-F336 HydrophobicContact CE1-CZ 4.21Å; M198-F336 HydrophobicContact CE-CE2 3.84Å; M198-F336 HydrophobicContact CE-CZ 4.41Å; I222-F336 HydrophobicContact CD1-CE2 4.47Å; V332-F336 VanDerWaalsContact O-CB 3.25Å; V332-F336 WeakPolarHBondContact O-CB 3.43Å; V332-F336 PolarHBondContact O-N 2.74Å; K333-F336 PolarHBondContact O-N 2.66Å; F336-V339 PolarHBondContact O-N 3.18Å; F336-T340 WeakPolarHBondContact CE1-OG1 3.47Å; F336-T340 WeakPolarHBondContact O-CB 3.35Å; F336-T340 PolarHBondContact O-N 3.37Å; F336-T340 PolarHBondContact O-OG1 3.06Å
337D89.2Confident87Confident44 Ų4448.2 Ų48.224%0.23524%0.241CC..Hα-helixtrans-59.1-47172.6-71.1-15.8000110.8F191 K333 T340 D341F191-D337 WeakPolarHBondContact CZ-OD1 3.06Å; K333-D337 VanDerWaalsContact O-CG 3.25Å; K333-D337 PolarHBondContact O-N 3.02Å; D337-T340 PolarHBondContact O-N 3.31Å; D337-D341 PolarHBondContact O-N 3.4Å; D337-D341 VanDerWaalsContact O-N 3.08Å
338A85.2Confident85.5Confident28 Ų2850.1 Ų50.123%0.23125%0.249CC..Hα-helixtrans-63.4-42.3177.300000112.6F334 V335 T340 D341 I342F334-A338 PolarHBondContact O-N 2.99Å; V335-A338 PolarHBondContact O-N 3.38Å; A338-T340 VanDerWaalsContact C-N 3.33Å; A338-T340 PolarHBondContact O-N 3.23Å; A338-D341 PolarHBondContact O-N 3.25Å; A338-I342 WeakPolarHBondContact O-CD1 3.49Å; A338-I342 WeakPolarHBondContact O-CG1 3.38Å; A338-I342 PolarHBondContact O-N 3.39Å
339V85.8Confident84.1Confident0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-62.2-41.7175.1165.80000111.4V265 F267 V335 F336 D341 I342 I343V265-V339 HydrophobicContact CB-CG2 4.35Å; V265-V339 HydrophobicContact CG1-CG2 3.57Å; V265-V339 HydrophobicContact CG2-CB 4.48Å; V265-V339 HydrophobicContact CG2-CG1 3.84Å; V265-V339 HydrophobicContact CG2-CG2 3.96Å; F267-V339 HydrophobicContact CE1-CG2 4Å; F267-V339 HydrophobicContact CZ-CG2 4.19Å; V335-V339 HydrophobicContact CG1-CG2 4.39Å; V335-V339 VanDerWaalsContact O-CG2 3.25Å; V335-V339 WeakPolarHBondContact O-CG2 3.31Å; V335-V339 PolarHBondContact O-N 3.18Å; F336-V339 PolarHBondContact O-N 3.18Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.25Å; V339-I342 WeakPolarHBondContact O-CB 3.31Å; V339-I342 PolarHBondContact O-N 3.1Å; V339-I343 HydrophobicContact CG1-CD1 3.57Å; V339-I343 HydrophobicContact CG1-CG1 4.31Å; V339-I343 VanDerWaalsContact O-CG1 3.27Å; V339-I343 WeakPolarHBondContact O-CG1 3.47Å; V339-I343 PolarHBondContact O-N 3.4Å
340T86.5Confident82.5Confident0 Ų057.5 Ų57.50%028%0.281CS..Hα-helixtrans-62.3-42.9178.3-62.40000111.1F191 K192 F196 F336 D337 A338 I342 I343 I344F191-T340 HydrophobicContact CD1-CG2 3.91Å; F191-T340 HydrophobicContact CE1-CG2 3.88Å; K192-T340 HydrophobicContact CD-CG2 4.34Å; F196-T340 HydrophobicContact CZ-CG2 3.92Å; F336-T340 WeakPolarHBondContact CE1-OG1 3.47Å; F336-T340 WeakPolarHBondContact O-CB 3.35Å; F336-T340 PolarHBondContact O-N 3.37Å; F336-T340 PolarHBondContact O-OG1 3.06Å; D337-T340 PolarHBondContact O-N 3.31Å; A338-T340 VanDerWaalsContact C-N 3.33Å; A338-T340 PolarHBondContact O-N 3.23Å; T340-I342 VanDerWaalsContact C-N 3.29Å; T340-I342 PolarHBondContact O-N 3.28Å; T340-I343 PolarHBondContact O-N 3.01Å; T340-I344 HydrophobicContact CG2-CD1 3.61Å; T340-I344 HydrophobicContact CG2-CG1 4.19Å; T340-I344 WeakPolarHBondContact O-CB 3.43Å; T340-I344 WeakPolarHBondContact O-CG1 3.43Å; T340-I344 PolarHBondContact O-N 2.85Å
341D84.3Confident80.6Confident82 Ų8255.7 Ų55.744%0.43928%0.283SS..Hα-helixtrans-63.4-36.7179.2-68.8-16.7000112.1K192 D337 A338 V339 K345K192-D341 IonicContact NZ-OD1 3.68Å; K192-D341 PolarHBondContact NZ-OD1 3.08Å; K192-D341 IonicContact NZ-OD2 2.62Å; D337-D341 PolarHBondContact O-N 3.4Å; D337-D341 VanDerWaalsContact O-N 3.08Å; A338-D341 PolarHBondContact O-N 3.25Å; V339-D341 VanDerWaalsContact C-N 3.33Å; V339-D341 PolarHBondContact O-N 3.25Å; D341-K345 WeakPolarHBondContact O-CB 3.43Å; D341-K345 PolarHBondContact O-N 3.48Å
342I80Confident78.2Confident30 Ų3057.8 Ų57.815%0.15431%0.309CS..Hα-helixtrans-64.3-50.5173.7-69.1160000110.9Y320 A338 V339 T340 I344 K345 E346Y320-I342 HydrophobicContact CD1-CD1 3.54Å; Y320-I342 HydrophobicContact CD1-CG1 4.26Å; Y320-I342 HydrophobicContact CD1-CG2 4.39Å; Y320-I342 HydrophobicContact CD2-CD1 4.26Å; Y320-I342 HydrophobicContact CD2-CG2 3.68Å; Y320-I342 HydrophobicContact CE1-CD1 3.96Å; Y320-I342 HydrophobicContact CE1-CG1 4.17Å; Y320-I342 HydrophobicContact CE1-CG2 4.03Å; Y320-I342 HydrophobicContact CE2-CG2 3.26Å; Y320-I342 HydrophobicContact CG-CD1 3.68Å; Y320-I342 HydrophobicContact CG-CG2 4.21Å; Y320-I342 VanDerWaalsContact CZ-CG2 3.43Å; A338-I342 WeakPolarHBondContact O-CD1 3.49Å; A338-I342 WeakPolarHBondContact O-CG1 3.38Å; A338-I342 PolarHBondContact O-N 3.39Å; V339-I342 WeakPolarHBondContact O-CB 3.31Å; V339-I342 PolarHBondContact O-N 3.1Å; T340-I342 VanDerWaalsContact C-N 3.29Å; T340-I342 PolarHBondContact O-N 3.28Å; I342-I344 VanDerWaalsContact C-N 3.31Å; I342-I344 PolarHBondContact O-N 2.86Å; I342-K345 WeakPolarHBondContact O-CB 3.38Å; I342-K345 PolarHBondContact O-N 3.45Å; I342-K345 VanDerWaalsContact O-N 3.16Å; I342-E346 PolarHBondContact O-N 2.99Å
343I80.6Confident76Confident4 Ų463.3 Ų63.32%0.02134%0.337CS..Hα-helixtrans-62-41.1-178.5-67.6168000110.9V34 L36 T219 C220 V339 T340 E346 N347V34-I343 HydrophobicContact CG1-CG2 3.89Å; L36-I343 HydrophobicContact CD2-CD1 3.7Å; T219-I343 HydrophobicContact CG2-CG2 3.96Å; C220-I343 HydrophobicContact CB-CD1 3.64Å; C220-I343 HydrophobicContact CB-CG1 3.87Å; V339-I343 HydrophobicContact CG1-CD1 3.57Å; V339-I343 HydrophobicContact CG1-CG1 4.31Å; V339-I343 VanDerWaalsContact O-CG1 3.27Å; V339-I343 WeakPolarHBondContact O-CG1 3.47Å; V339-I343 PolarHBondContact O-N 3.4Å; T340-I343 PolarHBondContact O-N 3.01Å; I343-E346 PolarHBondContact O-N 3.34Å; I343-N347 WeakPolarHBondContact CG2-ND2 3.46Å; I343-N347 WeakPolarHBondContact O-CB 3.39Å; I343-N347 PolarHBondContact O-N 3.23Å; I343-N347 PolarHBondContact O-ND2 3.36Å
344I79.4Confident73.5Confident44 Ų4469.5 Ų69.523%0.22637%0.365CS..Hα-helixtrans-61.6-46.5176-70.7172.3000110.2K192 L194 T340 I342 E346 N347 L348K192-I344 HydrophobicContact CD-CD1 4.46Å; L194-I344 HydrophobicContact CD1-CD1 3.78Å; L194-I344 HydrophobicContact CD1-CG1 3.57Å; T340-I344 HydrophobicContact CG2-CD1 3.61Å; T340-I344 HydrophobicContact CG2-CG1 4.19Å; T340-I344 WeakPolarHBondContact O-CB 3.43Å; T340-I344 WeakPolarHBondContact O-CG1 3.43Å; T340-I344 PolarHBondContact O-N 2.85Å; I342-I344 VanDerWaalsContact C-N 3.31Å; I342-I344 PolarHBondContact O-N 2.86Å; I344-E346 VanDerWaalsContact C-N 3.3Å; I344-E346 PolarHBondContact O-N 2.92Å; I344-N347 PolarHBondContact O-N 2.93Å; I344-L348 HydrophobicContact CG2-CD1 3.78Å; I344-L348 HydrophobicContact CG2-CG 4.3Å; I344-L348 WeakPolarHBondContact O-CB 3.44Å; I344-L348 VanDerWaalsContact O-CG 3.26Å; I344-L348 WeakPolarHBondContact O-CG 3.48Å; I344-L348 PolarHBondContact O-N 3.47Å
345K76.8Confident72.7Confident137 Ų13765.6 Ų65.660%0.59635%0.351SS*.Hα-helixtrans-61-39.2-179.8-173.3-179.7179.8-176.10112.2D341 I342 K349D341-K345 WeakPolarHBondContact O-CB 3.43Å; D341-K345 PolarHBondContact O-N 3.48Å; I342-K345 WeakPolarHBondContact O-CB 3.38Å; I342-K345 PolarHBondContact O-N 3.45Å; I342-K345 VanDerWaalsContact O-N 3.16Å; K345-K349 WeakPolarHBondContact O-CG 3.4Å; K345-K349 PolarHBondContact O-N 3.5Å
346E73.8Confident71.8Confident43 Ų4368.7 Ų68.720%0.20137%0.367CS..Hα-helixtrans-72.4-44.4178-73.4175.1170.700112S263 Y320 I342 I343 I344 L348 K349 D350S263-E346 WeakPolarHBondContact CB-OE2 3.34Å; S263-E346 PolarHBondContact OG-OE2 3.4Å; Y320-E346 PolarHBondContact OH-OE1 3.28Å; Y320-E346 VanDerWaalsContact OH-OE1 3.06Å; I342-E346 PolarHBondContact O-N 2.99Å; I343-E346 PolarHBondContact O-N 3.34Å; I344-E346 VanDerWaalsContact C-N 3.3Å; I344-E346 PolarHBondContact O-N 2.92Å; E346-L348 VanDerWaalsContact C-N 3.27Å; E346-L348 PolarHBondContact O-N 3.25Å; E346-K349 WeakPolarHBondContact O-CB 3.42Å; E346-K349 PolarHBondContact O-N 2.91Å; E346-K349 VanDerWaalsContact O-N 3.1Å; E346-D350 PolarHBondContact O-N 3.02Å; E346-D350 VanDerWaalsContact O-N 3.1Å
347N68.7Low70.8Confident56 Ų5672.4 Ų72.430%0.29939%0.387SS..Hα-helixtrans-59.7-36.7174.3-77.9-40000112.8T219 I343 I344 K349 D350 C351T219-N347 WeakPolarHBondContact CG2-ND2 3.3Å; T219-N347 WeakPolarHBondContact CG2-OD1 3.16Å; I343-N347 WeakPolarHBondContact CG2-ND2 3.46Å; I343-N347 WeakPolarHBondContact O-CB 3.39Å; I343-N347 PolarHBondContact O-N 3.23Å; I343-N347 PolarHBondContact O-ND2 3.36Å; I344-N347 PolarHBondContact O-N 2.93Å; N347-K349 VanDerWaalsContact C-N 3.35Å; N347-D350 PolarHBondContact O-N 3.23Å; N347-C351 PolarHBondContact O-N 3.47Å
348L66.5Low69.7Low69 Ų6974.1 Ų74.136%0.36140%0.396SS..Hα-helixtrans-66.9-34.1176.6-74.5171.4000112.7I344 E346 C351 L353I344-L348 HydrophobicContact CG2-CD1 3.78Å; I344-L348 HydrophobicContact CG2-CG 4.3Å; I344-L348 WeakPolarHBondContact O-CB 3.44Å; I344-L348 VanDerWaalsContact O-CG 3.26Å; I344-L348 WeakPolarHBondContact O-CG 3.48Å; I344-L348 PolarHBondContact O-N 3.47Å; E346-L348 VanDerWaalsContact C-N 3.27Å; E346-L348 PolarHBondContact O-N 3.25Å; L348-C351 PolarHBondContact O-N 2.88Å; L348-L353 HydrophobicContact CD2-CD1 4.05Å; L348-L353 PolarHBondContact O-N 3.33Å
349K65.9Low68.8Low119 Ų11977 Ų7752%0.51741%0.407SS..Hα-helixtrans-66.1-43.4172.7-73176.9176.9-177.20111.2K345 E346 N347 C351 G352 F354K345-K349 WeakPolarHBondContact O-CG 3.4Å; K345-K349 PolarHBondContact O-N 3.5Å; E346-K349 WeakPolarHBondContact O-CB 3.42Å; E346-K349 PolarHBondContact O-N 2.91Å; E346-K349 VanDerWaalsContact O-N 3.1Å; N347-K349 VanDerWaalsContact C-N 3.35Å; K349-C351 PolarHBondContact O-N 3.02Å; K349-G352 PolarHBondContact O-N 3.13Å; K349-F354 HydrophobicContact CG-CB 4.4Å
350D63.7Low67.6Low142 Ų14282.1 Ų82.176%0.75943%0.434SS*.Hα-helixtrans-64.3-26.4179.4-73.9-9.9000112.6E346 N347 G352E346-D350 PolarHBondContact O-N 3.02Å; E346-D350 VanDerWaalsContact O-N 3.1Å; N347-D350 PolarHBondContact O-N 3.23Å; D350-G352 VanDerWaalsContact C-N 3.32Å
351C56.3Low66.3Low97 Ų9788 Ų8866%0.65547%0.465SS*.THydrogen-bonded Turntrans-831.5172.2-71.40000114.6N347 L348 K349 L353N347-C351 PolarHBondContact O-N 3.47Å; L348-C351 PolarHBondContact O-N 2.88Å; K349-C351 PolarHBondContact O-N 3.02Å; C351-L353 VanDerWaalsContact C-N 3.3Å; C351-L353 HydrophobicContact CB-CD1 4.15Å; C351-L353 PolarHBondContact O-N 2.88Å
352G43.1Very low64.9Low64 Ų6488.5 Ų88.566%0.6647%0.467SS*.THydrogen-bonded Turntrans7022.2178.400000114.6K349 D350K349-G352 PolarHBondContact O-N 3.13Å; D350-G352 VanDerWaalsContact C-N 3.32Å
353L47.8Very low63.6Low122 Ų12293.3 Ų93.364%0.63949%0.493SS*.  trans-91.70.3179.7-73.6161.5000113.3L348 C351L348-L353 HydrophobicContact CD2-CD1 4.05Å; L348-L353 PolarHBondContact O-N 3.33Å; C351-L353 VanDerWaalsContact C-N 3.3Å; C351-L353 HydrophobicContact CB-CD1 4.15Å; C351-L353 PolarHBondContact O-N 2.88Å
354F41Very low62.1Low223 Ų223101.5 Ų101.598%0.97854%0.536SS*.  trans-146.80176.7-104.3-81.9000113K349K349-F354 HydrophobicContact CG-CB 4.4Å

Retrieved 354 of 354 residues in 741.5 ms (Link to these results)

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