A0A096NRB0_PAPAN Loading...

Guanine nucleotide-binding protein G(z) subunit alpha

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems.

AlphaFold DB (P19086), UniProt , Accession A0A096NRB0, Species PAPAN (Papio anubis, Olive baboon), Gene GNAZ, Length 355 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
1M40.5Very low70.1Confident241 Ų241126.5 Ų126.5100%1.18767%0.665SS**  0110.60-64.6-171.2-15700107.9C3M1-C3 PolarHBondContact O-N 3.24Å
2G50Low71.6Confident76 Ų76120.6 Ų120.678%0.78465%0.647SS**  trans-74.3108.1176.600000109R4G2-R4 VanDerWaalsContact C-N 3.31Å; G2-R4 PolarHBondContact O-N 2.81Å
3C55.2Low72.8Confident125 Ų125113.8 Ų113.885%0.84562%0.618SS**  trans-56.899168.6-85.50000107.9M1 Q5M1-C3 PolarHBondContact O-N 3.24Å; C3-Q5 VanDerWaalsContact C-N 3.26Å; C3-Q5 PolarHBondContact O-N 3.16Å
4R58Low74Confident245 Ų245119.1 Ų119.193%0.92563%0.625SS**  trans-64.995.7167-82.4-177.8169.4-179.1-2.5105.7G2 S6G2-R4 VanDerWaalsContact C-N 3.31Å; G2-R4 PolarHBondContact O-N 2.81Å; R4-S6 PolarHBondContact O-N 3.23Å
5Q63.4Low75.1Confident110 Ų110121.6 Ų121.651%0.51462%0.622SS.*  trans-49.5129170.8-75.7-179.1-27.100108.6C3 E9 K10C3-Q5 VanDerWaalsContact C-N 3.26Å; C3-Q5 PolarHBondContact O-N 3.16Å; Q5-E9 WeakPolarHBondContact CA-OE2 3.44Å; Q5-E9 HydrophobicContact CB-CB 4.31Å; Q5-E9 WeakPolarHBondContact CB-OE2 3.4Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.19Å; Q5-K10 HydrophobicContact CB-CG 4.09Å
6S77.5Confident76.1Confident48 Ų48117.7 Ų117.734%0.33661%0.609SS.*  trans-60.3155.5177.374.10000109.3R4 E8 E9 K10R4-S6 PolarHBondContact O-N 3.23Å; S6-E8 PolarHBondContact O-N 3.21Å; S6-E9 PolarHBondContact N-OE2 3.16Å; S6-E9 PolarHBondContact O-N 3.35Å; S6-E9 VanDerWaalsContact O-N 3.16Å; S6-E9 WeakPolarHBondContact OG-CG 3.47Å; S6-E9 PolarHBondContact OG-N 2.98Å; S6-E9 VanDerWaalsContact OG-N 3.14Å; S6-K10 PolarHBondContact O-N 2.89Å; S6-K10 VanDerWaalsContact O-N 3.16Å
7S84Confident77Confident87 Ų87119.9 Ų119.961%0.60861%0.608SS**Hα-helixtrans-54.3-36.3174.450.90000111.2K10 E11S7-K10 PolarHBondContact O-N 3.14Å; S7-E11 WeakPolarHBondContact O-CG 3.38Å; S7-E11 PolarHBondContact O-N 3.06Å
8E83.6Confident77.7Confident149 Ų149124.2 Ų124.270%0.69662%0.616SS**Hα-helixtrans-63.5-44.6177-63.4179.9164.600112.6S6 K10 E11 A12S6-E8 PolarHBondContact O-N 3.21Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.36Å; E8-E11 PolarHBondContact O-N 2.92Å; E8-A12 WeakPolarHBondContact O-CB 3.34Å; E8-A12 PolarHBondContact O-N 3.47Å
9E85.7Confident78.2Confident106 Ų106122.8 Ų122.850%0.49561%0.61SS.*Hα-helixtrans-62.6-40.2176-75.6175.3171.900111.9Q5 S6 A12 A13Q5-E9 WeakPolarHBondContact CA-OE2 3.44Å; Q5-E9 HydrophobicContact CB-CB 4.31Å; Q5-E9 WeakPolarHBondContact CB-OE2 3.4Å; Q5-E9 WeakPolarHBondContact CG-OE2 3.19Å; S6-E9 PolarHBondContact N-OE2 3.16Å; S6-E9 PolarHBondContact O-N 3.35Å; S6-E9 VanDerWaalsContact O-N 3.16Å; S6-E9 WeakPolarHBondContact OG-CG 3.47Å; S6-E9 PolarHBondContact OG-N 2.98Å; S6-E9 VanDerWaalsContact OG-N 3.14Å; E9-A12 PolarHBondContact O-N 3.43Å; E9-A13 WeakPolarHBondContact O-CB 3.46Å; E9-A13 PolarHBondContact O-N 2.83Å
10K86.2Confident78.7Confident109 Ų109120.5 Ų120.547%0.47460%0.599SS.*Hα-helixtrans-65.6-39.5176.3-70.1-178.6-176.1175.80111.7Q5 S6 S7 E8 R14Q5-K10 HydrophobicContact CB-CG 4.09Å; S6-K10 PolarHBondContact O-N 2.89Å; S6-K10 VanDerWaalsContact O-N 3.16Å; S7-K10 PolarHBondContact O-N 3.14Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.36Å; K10-R14 VanDerWaalsContact O-CG 3.27Å; K10-R14 WeakPolarHBondContact O-CG 3.27Å; K10-R14 PolarHBondContact O-N 2.9Å
11E87.4Confident79.1Confident96 Ų96123.4 Ų123.445%0.44960%0.604SS.*Hα-helixtrans-67.6-44174.6-76.8-172-170.400112.4S7 E8 A13 R14 R15S7-E11 WeakPolarHBondContact O-CG 3.38Å; S7-E11 PolarHBondContact O-N 3.06Å; E8-E11 PolarHBondContact O-N 2.92Å; E11-A13 VanDerWaalsContact C-N 3.35Å; E11-A13 PolarHBondContact O-N 3.25Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 2.88Å; E11-R14 VanDerWaalsContact O-N 3.15Å; E11-R15 WeakPolarHBondContact O-CG 3.43Å; E11-R15 PolarHBondContact O-N 3.1Å; E11-R15 IonicContact OE2-NH2 2.9Å; E11-R15 PolarHBondContact OE2-NH2 3.06Å
12A87.1Confident81.2Confident55 Ų55117.2 Ų117.246%0.45557%0.571SS.*Hα-helixtrans-59.5-45.4176.200000111.2E8 E9 R14 R15 S16E8-A12 WeakPolarHBondContact O-CB 3.34Å; E8-A12 PolarHBondContact O-N 3.47Å; E9-A12 PolarHBondContact O-N 3.43Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 3.22Å; A12-R15 PolarHBondContact O-N 3.4Å; A12-S16 WeakPolarHBondContact O-CB 3.47Å; A12-S16 PolarHBondContact O-N 3.12Å
13A88.2Confident82.8Confident33 Ų33118.4 Ų118.427%0.27356%0.559SS.*Hα-helixtrans-63.3-35.1175.200000112.8E9 E11 R17E9-A13 WeakPolarHBondContact O-CB 3.46Å; E9-A13 PolarHBondContact O-N 2.83Å; E11-A13 VanDerWaalsContact C-N 3.35Å; E11-A13 PolarHBondContact O-N 3.25Å; A13-R17 WeakPolarHBondContact O-CB 3.37Å; A13-R17 VanDerWaalsContact O-CG 3.3Å; A13-R17 WeakPolarHBondContact O-CG 3.46Å; A13-R17 PolarHBondContact O-N 3.44Å
14R89.5Confident83.9Confident187 Ų187121.3 Ų121.371%0.70655%0.553SS**Hα-helixtrans-67.7-41.8173.6-76.5172.4-180-173.30111.8K10 E11 A12 R18K10-R14 VanDerWaalsContact O-CG 3.27Å; K10-R14 WeakPolarHBondContact O-CG 3.27Å; K10-R14 PolarHBondContact O-N 2.9Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 2.88Å; E11-R14 VanDerWaalsContact O-N 3.15Å; A12-R14 VanDerWaalsContact C-N 3.32Å; A12-R14 PolarHBondContact O-N 3.22Å; R14-R18 WeakPolarHBondContact O-CB 3.3Å; R14-R18 PolarHBondContact O-N 2.9Å; R14-R18 VanDerWaalsContact O-N 3.1Å
15R90.1Very high85Confident157 Ų157112.5 Ų112.559%0.59253%0.528SS*.Hα-helixtrans-63.5-48.3175.9-67.7175.2-147.3-176.97.6110.9E11 A12 R18 I19E11-R15 WeakPolarHBondContact O-CG 3.43Å; E11-R15 PolarHBondContact O-N 3.1Å; E11-R15 IonicContact OE2-NH2 2.9Å; E11-R15 PolarHBondContact OE2-NH2 3.06Å; A12-R15 PolarHBondContact O-N 3.4Å; R15-R18 WeakPolarHBondContact O-CB 3.47Å; R15-R18 PolarHBondContact O-N 2.93Å; R15-R18 VanDerWaalsContact O-N 3.12Å; R15-I19 WeakPolarHBondContact O-CG1 3.49Å; R15-I19 PolarHBondContact O-N 3.15Å
16S90.5Very high85.7Confident59 Ų59111.8 Ų111.841%0.41353%0.525SS..Hα-helixtrans-57.8-50.1176.6162.10000112A12 R18 I19 D20A12-S16 WeakPolarHBondContact O-CB 3.47Å; A12-S16 PolarHBondContact O-N 3.12Å; S16-R18 PolarHBondContact O-N 3.11Å; S16-I19 WeakPolarHBondContact O-CB 3.46Å; S16-I19 PolarHBondContact O-N 3.09Å; S16-I19 VanDerWaalsContact O-N 3.09Å; S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.95Å
17R91.2Very high85.6Confident156 Ų156111.8 Ų111.859%0.58953%0.525SS*.Hα-helixtrans-61.1-30.2176.2-70.9-178.3-139.7-171.93.2113.6A13 R21A13-R17 WeakPolarHBondContact O-CB 3.37Å; A13-R17 VanDerWaalsContact O-CG 3.3Å; A13-R17 WeakPolarHBondContact O-CG 3.46Å; A13-R17 PolarHBondContact O-N 3.44Å; R17-R21 WeakPolarHBondContact O-CB 3.36Å; R17-R21 WeakPolarHBondContact O-CG 3.38Å; R17-R21 PolarHBondContact O-N 3.2Å; R17-R21 VanDerWaalsContact O-N 3.11Å
18R89.7Confident85.1Confident197 Ų197114 Ų11474%0.74353%0.526SS*.Hα-helixtrans-72.1-41.9175.7-172.9179.2178.9-178.4-0.2110.8R14 R15 S16 R21 H22R14-R18 WeakPolarHBondContact O-CB 3.3Å; R14-R18 PolarHBondContact O-N 2.9Å; R14-R18 VanDerWaalsContact O-N 3.1Å; R15-R18 WeakPolarHBondContact O-CB 3.47Å; R15-R18 PolarHBondContact O-N 2.93Å; R15-R18 VanDerWaalsContact O-N 3.12Å; S16-R18 PolarHBondContact O-N 3.11Å; R18-R21 PolarHBondContact O-N 2.85Å; R18-H22 WeakPolarHBondContact O-CB 3.47Å; R18-H22 PolarHBondContact O-N 3.48Å
19I87.4Confident84.6Confident98 Ų98114.7 Ų114.750%0.50352%0.522SS..Hα-helixtrans-61.2-49.1173.5-66.2164.6000109.7R15 S16 R21 H22 L23R15-I19 WeakPolarHBondContact O-CG1 3.49Å; R15-I19 PolarHBondContact O-N 3.15Å; S16-I19 WeakPolarHBondContact O-CB 3.46Å; S16-I19 PolarHBondContact O-N 3.09Å; S16-I19 VanDerWaalsContact O-N 3.09Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.05Å; I19-H22 CarbonylContact O-C 3.56Å; I19-H22 WeakPolarHBondContact O-CA 3.34Å; I19-H22 WeakPolarHBondContact O-CB 3.49Å; I19-H22 PolarHBondContact O-N 3.34Å; I19-L23 HydrophobicContact CG2-CD1 3.76Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 2.96Å
20D88.6Confident83.8Confident75 Ų75116.5 Ų116.540%0.40153%0.53SS..Hα-helixtrans-60.6-41.5179.9-64.8-25.7000112.5S16 R24S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.95Å; D20-R24 WeakPolarHBondContact O-CB 3.43Å; D20-R24 VanDerWaalsContact O-CG 3.29Å; D20-R24 WeakPolarHBondContact O-CG 3.29Å; D20-R24 PolarHBondContact O-N 3.4Å
21R87.2Confident83.2Confident183 Ų183118.6 Ų118.669%0.69154%0.536SS*.Hα-helixtrans-63.8-42.5173.8-80.5-173.8-123.3-179.8-2.8111.7R17 R18 I19 R24 S25R17-R21 WeakPolarHBondContact O-CB 3.36Å; R17-R21 WeakPolarHBondContact O-CG 3.38Å; R17-R21 PolarHBondContact O-N 3.2Å; R17-R21 VanDerWaalsContact O-N 3.11Å; R18-R21 PolarHBondContact O-N 2.85Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.05Å; R21-R24 PolarHBondContact O-N 3.27Å; R21-S25 WeakPolarHBondContact O-CB 3.5Å; R21-S25 PolarHBondContact O-N 2.93Å; R21-S25 PolarHBondContact O-OG 3.41Å
22H84.5Confident83.1Confident110 Ų110121 Ų12151%0.50954%0.541SS..Hα-helixtrans-63.7-47.3178.6-169.847.8000111.1R18 I19 R24 S25 E26R18-H22 WeakPolarHBondContact O-CB 3.47Å; R18-H22 PolarHBondContact O-N 3.48Å; I19-H22 CarbonylContact O-C 3.56Å; I19-H22 WeakPolarHBondContact O-CA 3.34Å; I19-H22 WeakPolarHBondContact O-CB 3.49Å; I19-H22 PolarHBondContact O-N 3.34Å; H22-R24 VanDerWaalsContact C-N 3.35Å; H22-R24 PolarHBondContact O-N 2.7Å; H22-S25 WeakPolarHBondContact CA-OG 3.35Å; H22-S25 PolarHBondContact O-N 2.81Å; H22-S25 VanDerWaalsContact O-N 3.14Å; H22-S25 PolarHBondContact O-OG 3.14Å; H22-E26 WeakPolarHBondContact O-CB 3.44Å; H22-E26 VanDerWaalsContact O-CG 3.29Å; H22-E26 WeakPolarHBondContact O-CG 3.33Å; H22-E26 PolarHBondContact O-N 3.43Å
23L82.9Confident83.2Confident102 Ų102121.5 Ų121.553%0.53453%0.533SS..Hα-helixtrans-59.5-41.5175.7-69.5174.1000112.4I19 S27I19-L23 HydrophobicContact CG2-CD1 3.76Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 WeakPolarHBondContact O-CG 3.46Å; I19-L23 PolarHBondContact O-N 2.96Å; L23-S27 VanDerWaalsContact O-CB 3.27Å; L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 2.99Å
24R80.1Confident83.5Confident186 Ų186120.2 Ų120.270%0.70252%0.522SS*.Hα-helixtrans-64.9-42.6174.4-74.3176.8-172.5-168.72.2112.1D20 R21 H22 S27 Q28D20-R24 WeakPolarHBondContact O-CB 3.43Å; D20-R24 VanDerWaalsContact O-CG 3.29Å; D20-R24 WeakPolarHBondContact O-CG 3.29Å; D20-R24 PolarHBondContact O-N 3.4Å; R21-R24 PolarHBondContact O-N 3.27Å; H22-R24 VanDerWaalsContact C-N 3.35Å; H22-R24 PolarHBondContact O-N 2.7Å; R24-S27 PolarHBondContact O-N 3.37Å; R24-Q28 WeakPolarHBondContact O-CG 3.42Å; R24-Q28 PolarHBondContact O-N 2.8Å
25S80.1Confident83.7Confident59 Ų59112.7 Ų112.741%0.41349%0.494SS..Hα-helixtrans-66.8-39.4177.466.20000112.5R21 H22 Q28 R29R21-S25 WeakPolarHBondContact O-CB 3.5Å; R21-S25 PolarHBondContact O-N 2.93Å; R21-S25 PolarHBondContact O-OG 3.41Å; H22-S25 WeakPolarHBondContact CA-OG 3.35Å; H22-S25 PolarHBondContact O-N 2.81Å; H22-S25 VanDerWaalsContact O-N 3.14Å; H22-S25 PolarHBondContact O-OG 3.14Å; S25-Q28 PolarHBondContact O-N 2.92Å; S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 3.43Å
26E77.9Confident84Confident95 Ų95105.2 Ų105.244%0.44447%0.466SS..Hα-helixtrans-63.4-46.3173.8-76.1-103.910700110.5H22 Q28 R29 Q30H22-E26 WeakPolarHBondContact O-CB 3.44Å; H22-E26 VanDerWaalsContact O-CG 3.29Å; H22-E26 WeakPolarHBondContact O-CG 3.33Å; H22-E26 PolarHBondContact O-N 3.43Å; E26-Q28 PolarHBondContact O-N 2.87Å; E26-R29 PolarHBondContact O-N 2.96Å; E26-Q30 WeakPolarHBondContact O-CB 3.27Å; E26-Q30 PolarHBondContact O-N 3.25Å
27S74.9Confident84.4Confident49 Ų49102.5 Ų102.534%0.34345%0.447SS..Hα-helixtrans-61.3-42.2176.8-176.10000112.2L23 R24 R31L23-S27 VanDerWaalsContact O-CB 3.27Å; L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 2.99Å; R24-S27 PolarHBondContact O-N 3.37Å; S27-R31 VanDerWaalsContact O-CG 3.28Å; S27-R31 WeakPolarHBondContact O-CG 3.28Å; S27-R31 PolarHBondContact O-N 3.04Å
28Q73.8Confident84.7Confident132 Ų13295 Ų9562%0.61742%0.419SS*.Hα-helixtrans-65.6-39.3175-77.7-177.4-15.200112.4R24 S25 E26 R31R24-Q28 WeakPolarHBondContact O-CG 3.42Å; R24-Q28 PolarHBondContact O-N 2.8Å; S25-Q28 PolarHBondContact O-N 2.92Å; E26-Q28 PolarHBondContact O-N 2.87Å; Q28-R31 PolarHBondContact O-N 2.79Å
29R72.7Confident85.1Confident165 Ų16585.7 Ų85.762%0.62338%0.383SS*.Hα-helixtrans-65.9-45.8176.3-176.2-177.3177.6-172.52.3111.4S25 E26 R31 R32 E33S25-R29 WeakPolarHBondContact O-CB 3.38Å; S25-R29 PolarHBondContact O-N 3.43Å; E26-R29 PolarHBondContact O-N 2.96Å; R29-R31 VanDerWaalsContact C-N 3.27Å; R29-R31 PolarHBondContact O-N 3.19Å; R29-R32 CarbonylContact O-C 3.6Å; R29-R32 PolarHBondContact O-N 3.43Å; R29-E33 PolarHBondContact O-N 3.49Å
30Q70.2Confident85.6Confident143 Ų14381 Ų8167%0.66836%0.359SS*.Hα-helixtrans-62.1-35.7178.7-168.1179.621.100111.5E26 R32 E33E26-Q30 WeakPolarHBondContact O-CB 3.27Å; E26-Q30 PolarHBondContact O-N 3.25Å; Q30-R32 PolarHBondContact O-N 3.5Å; Q30-E33 PolarHBondContact O-N 3.23Å; Q30-E33 VanDerWaalsContact O-N 3.11Å
31R73.8Confident85.9Confident154 Ų15477.6 Ų77.658%0.58134%0.341SS*.THydrogen-bonded Turntrans-63.6-18.6173.3-77.1174.6-178.2-163.8-1.8114.3S27 Q28 R29S27-R31 VanDerWaalsContact O-CG 3.28Å; S27-R31 WeakPolarHBondContact O-CG 3.28Å; S27-R31 PolarHBondContact O-N 3.04Å; Q28-R31 PolarHBondContact O-N 2.79Å; R29-R31 VanDerWaalsContact C-N 3.27Å; R29-R31 PolarHBondContact O-N 3.19Å
32R84Confident86.2Confident147 Ų14769.4 Ų69.456%0.55531%0.312SS*.THydrogen-bonded Turntrans-104.92.8176.7-64.1-175.8179.1-166.9-4112.7R29 Q30 L195 T196R29-R32 CarbonylContact O-C 3.6Å; R29-R32 PolarHBondContact O-N 3.43Å; Q30-R32 PolarHBondContact O-N 3.5Å; R32-L195 HydrophobicContact CB-CD2 4.21Å; R32-L195 WeakPolarHBondContact O-CA 3.46Å; R32-T196 PolarHBondContact O-N 3.25Å
33E90.6Very high86.6Confident64 Ų6464.9 Ų64.930%0.29929%0.292SS..EExtended strand (participates in β ladder)trans-98126.5176.6-167.2173.3-111.300109.9R29 Q30 T196R29-E33 PolarHBondContact O-N 3.49Å; Q30-E33 PolarHBondContact O-N 3.23Å; Q30-E33 VanDerWaalsContact O-N 3.11Å; E33-T196 CarbonylContact C-O 3.21Å; E33-T196 VanDerWaalsContact CA-O 3.29Å; E33-T196 WeakPolarHBondContact CA-O 3.29Å
34I93Very high87.3Confident7 Ų760 Ų604%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-112.8114.8178-56.8-64.6000107.8L36 L195 T196 F197 K198 T220 I344I34-L36 HydrophobicContact CG2-CD2 3.75Å; I34-L36 HydrophobicContact CG2-CG 4.18Å; I34-L195 HydrophobicContact CG1-CB 4.3Å; I34-L195 HydrophobicContact CG1-CD1 4.06Å; I34-T196 PolarHBondContact N-O 2.88Å; I34-F197 HydrophobicContact CB-CD1 3.76Å; I34-F197 HydrophobicContact CB-CE1 3.8Å; I34-F197 HydrophobicContact CB-CG 4.35Å; I34-F197 HydrophobicContact CB-CZ 4.4Å; I34-F197 HydrophobicContact CG1-CE1 4.18Å; I34-F197 HydrophobicContact CG1-CZ 4.32Å; I34-F197 HydrophobicContact CG2-CD1 3.76Å; I34-F197 HydrophobicContact CG2-CE1 3.6Å; I34-F197 CarbonylContact O-C 3.54Å; I34-F197 WeakPolarHBondContact O-CA 3.39Å; I34-K198 PolarHBondContact O-N 3.41Å; I34-T220 HydrophobicContact CD1-CG2 3.97Å; I34-T220 HydrophobicContact CG2-CG2 3.97Å; I34-I344 HydrophobicContact CD1-CG2 4.24Å; I34-I344 HydrophobicContact CG2-CG2 3.95Å
35K94.8Very high88.1Confident29 Ų2951.6 Ų51.613%0.12624%0.237CC..EExtended strand (participates in β ladder)trans-92.2111.3175.1-173.2179.6174.8-174.90109.7K198 V200 C215 E217 G218 V219 T220 A221K35-K198 CarbonylContact C-O 3.58Å; K35-K198 WeakPolarHBondContact CA-O 3.48Å; K35-V200 HydrophobicContact CG-CG2 4.41Å; K35-C215 WeakPolarHBondContact CE-O 3.34Å; K35-C215 PolarHBondContact NZ-O 3Å; K35-E217 PolarHBondContact NZ-O 3.35Å; K35-G218 WeakPolarHBondContact CB-O 3.5Å; K35-G218 WeakPolarHBondContact CD-O 2.97Å; K35-V219 HydrophobicContact CD-CG2 4.28Å; K35-T220 PolarHBondContact N-OG1 3.35Å; K35-T220 WeakPolarHBondContact O-CB 2.9Å; K35-T220 PolarHBondContact O-N 2.86Å; K35-A221 PolarHBondContact O-N 3.11Å
36L96.5Very high88.9Confident0 Ų049.3 Ų49.30%022%0.22CC..EExtended strand (participates in β ladder)trans-98.3125.7174.3-58.7-177.6000109.7I34 F197 K198 M199 V200 A221 I223 F337 I344I34-L36 HydrophobicContact CG2-CD2 3.75Å; I34-L36 HydrophobicContact CG2-CG 4.18Å; L36-F197 HydrophobicContact CD1-CD1 3.59Å; L36-F197 HydrophobicContact CD1-CE1 4.05Å; L36-F197 HydrophobicContact CG-CD1 3.92Å; L36-F197 HydrophobicContact CG-CE1 4.43Å; L36-K198 PolarHBondContact N-O 3.1Å; L36-M199 HydrophobicContact CD1-CE 3.74Å; L36-M199 CarbonylContact O-C 3.52Å; L36-M199 WeakPolarHBondContact O-CA 3.27Å; L36-V200 PolarHBondContact O-N 3.36Å; L36-A221 WeakPolarHBondContact CA-O 3.5Å; L36-A221 HydrophobicContact CD2-CB 3.84Å; L36-I223 HydrophobicContact CD1-CD1 4.15Å; L36-F337 HydrophobicContact CD1-CE2 3.66Å; L36-F337 HydrophobicContact CD1-CZ 3.72Å; L36-I344 HydrophobicContact CD2-CD1 3.73Å
37L97.6Very high89.8Confident1 Ų146.2 Ų46.21%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-105.5118173.3-177.861.1000109.7L39 V200 V202 C215 F216 V219 A221 I222 I223 F260L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 4.01Å; L37-L39 HydrophobicContact CD2-CD2 4.05Å; L37-L39 HydrophobicContact CD2-CG 4.12Å; L37-L39 HydrophobicContact CG-CD1 4.33Å; L37-L39 HydrophobicContact CG-CD2 3.89Å; L37-L39 HydrophobicContact CG-CG 3.91Å; L37-V200 HydrophobicContact CD1-CB 3.94Å; L37-V200 HydrophobicContact CD1-CG1 3.93Å; L37-V202 HydrophobicContact CD1-CG1 4.41Å; L37-C215 HydrophobicContact CD1-CB 3.78Å; L37-F216 HydrophobicContact CD2-CD1 3.76Å; L37-F216 HydrophobicContact CD2-CE1 3.86Å; L37-V219 HydrophobicContact CB-CG1 3.79Å; L37-V219 HydrophobicContact CB-CG2 4.06Å; L37-V219 HydrophobicContact CD2-CG2 4.02Å; L37-A221 PolarHBondContact N-O 3.21Å; L37-I222 HydrophobicContact CB-CG1 4.37Å; L37-I222 WeakPolarHBondContact O-CA 3.39Å; L37-I223 PolarHBondContact O-N 3.2Å; L37-F260 HydrophobicContact CD2-CZ 4.18Å
38L97.9Very high90.9Very high0 Ų045 Ų450%020%0.199CC..EExtended strand (participates in β ladder)trans-86.4119.1175.3-57.8-172.9000109.8K46 I49 V50 M199 V200 D201 V202 I223L38-K46 HydrophobicContact CB-CB 4.17Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.21Å; L38-K46 HydrophobicContact CD1-CB 4.19Å; L38-K46 WeakPolarHBondContact CD1-O 3.42Å; L38-I49 HydrophobicContact CD1-CB 4.45Å; L38-V50 HydrophobicContact CD1-CG2 3.51Å; L38-M199 HydrophobicContact CD1-CG 3.97Å; L38-M199 HydrophobicContact CD1-SD 3.81Å; L38-M199 HydrophobicContact CD2-CE 4.33Å; L38-M199 HydrophobicContact CD2-CG 4.31Å; L38-M199 HydrophobicContact CD2-SD 4.27Å; L38-M199 HydrophobicContact CG-CG 3.93Å; L38-M199 HydrophobicContact CG-SD 4.22Å; L38-V200 PolarHBondContact N-O 2.96Å; L38-D201 HydrophobicContact CD1-CB 4.26Å; L38-V202 WeakPolarHBondContact O-CG2 3.29Å; L38-I223 WeakPolarHBondContact CA-O 3.38Å; L38-I223 HydrophobicContact CD2-CB 3.66Å; L38-I223 HydrophobicContact CD2-CD1 3.92Å; L38-I223 HydrophobicContact CD2-CG1 4.3Å; L38-I223 HydrophobicContact CD2-CG2 4.06Å
39L97.9Very high92Very high0 Ų038.7 Ų38.70%017%0.17CC..EExtended strand (participates in β ladder)trans-124.8163.7178.4-61.9-179.2000111.3L37 V202 W212 I222 I223 F224 C225 I254L37-L39 HydrophobicContact CD1-CD2 4.25Å; L37-L39 HydrophobicContact CD2-CD1 4.01Å; L37-L39 HydrophobicContact CD2-CD2 4.05Å; L37-L39 HydrophobicContact CD2-CG 4.12Å; L37-L39 HydrophobicContact CG-CD1 4.33Å; L37-L39 HydrophobicContact CG-CD2 3.89Å; L37-L39 HydrophobicContact CG-CG 3.91Å; L39-V202 HydrophobicContact CD2-CG2 3.78Å; L39-W212 HydrophobicContact CB-CZ3 4.46Å; L39-W212 HydrophobicContact CD2-CD2 3.86Å; L39-W212 HydrophobicContact CD2-CE3 3.66Å; L39-W212 HydrophobicContact CD2-CG 4.46Å; L39-W212 HydrophobicContact CD2-CH2 4.2Å; L39-W212 HydrophobicContact CD2-CZ2 4.4Å; L39-W212 HydrophobicContact CD2-CZ3 3.83Å; L39-I222 HydrophobicContact CB-CG2 4.31Å; L39-I222 HydrophobicContact CD1-CD1 4.3Å; L39-I222 HydrophobicContact CD1-CG2 3.96Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; L39-I223 PolarHBondContact N-O 2.89Å; L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.3Å; L39-F224 CarbonylContact O-C 3.56Å; L39-F224 WeakPolarHBondContact O-CA 3.43Å; L39-C225 PolarHBondContact O-N 2.82Å; L39-I254 HydrophobicContact CD1-CD1 3.76Å; L39-I254 HydrophobicContact CD1-CG1 4.09Å; L39-I254 HydrophobicContact CD1-CG2 3.87Å
40G97.7Very high93.1Very high0 Ų031.5 Ų31.50%014%0.144CC..  trans135.5166.1-178.100000112.1K46 G204G40-K46 PolarHBondContact O-NZ 2.75Å; G40-G204 WeakPolarHBondContact O-CA 3.49Å
41T96.3Very high94.4Very high3 Ų325.9 Ų25.92%0.01812%0.117CC..SBendtrans-60.8168.1179.852.50000112.3S44 K46 E246 L250T41-S44 PolarHBondContact O-OG 2.99Å; T41-S44 VanDerWaalsContact O-OG 3.09Å; T41-K46 PolarHBondContact O-NZ 3.24Å; T41-E246 HydrophobicContact CG2-CG 3.94Å; T41-L250 HydrophobicContact CG2-CD2 4.05Å
42S93Very high95.6Very high12 Ų1218.5 Ų18.58%0.0849%0.09CC..THydrogen-bonded Turntrans-56.4150.1167.257.70000109.6S44S42-S44 PolarHBondContact O-N 3.24Å; S42-S44 VanDerWaalsContact O-N 3.13Å
43N92.9Very high96.2Very high14 Ų1411.7 Ų11.78%0.0756%0.064CC..THydrogen-bonded Turntrans67.51.2-180-76.3-37000117.9G45 E150 R179 K271N43-G45 PolarHBondContact O-N 3.44Å; N43-E150 VanDerWaalsContact CG-OE2 3.32Å; N43-E150 PolarHBondContact ND2-OE2 3.39Å; N43-E150 PolarHBondContact OD1-OE2 3.46Å; N43-R179 VanDerWaalsContact CA-NH1 3.35Å; N43-R179 VanDerWaalsContact CG-NH2 3.32Å; N43-R179 PolarHBondContact OD1-NE 3.13Å; N43-R179 PolarHBondContact OD1-NH1 2.92Å; N43-R179 PolarHBondContact OD1-NH2 3.42Å; N43-K271 WeakPolarHBondContact O-CE 3.37Å; N43-K271 PolarHBondContact O-NZ 3.1Å
44S97Very high96.4Very high0 Ų012.1 Ų12.10%07%0.065CC..SBendtrans-73-7.517768.80000115.8T41 S42 C225 N270T41-S44 PolarHBondContact O-OG 2.99Å; T41-S44 VanDerWaalsContact O-OG 3.09Å; S42-S44 PolarHBondContact O-N 3.24Å; S42-S44 VanDerWaalsContact O-N 3.13Å; S44-C225 WeakPolarHBondContact CB-O 3.39Å; S44-C225 WeakPolarHBondContact OG-CB 3.26Å; S44-C225 PolarHBondContact OG-O 3.28Å; S44-C225 VanDerWaalsContact OG-O 3.07Å; S44-N270 PolarHBondContact O-ND2 3.42Å
45G96.7Very high96.6Very high9 Ų913.6 Ų13.69%0.0937%0.072CC..SBendtrans98.612174.200000116.2N43 S47 T48 I49N43-G45 PolarHBondContact O-N 3.44Å; G45-S47 PolarHBondContact O-N 3.44Å; G45-T48 WeakPolarHBondContact O-CB 3.2Å; G45-T48 PolarHBondContact O-N 3.21Å; G45-T48 VanDerWaalsContact O-N 3.13Å; G45-I49 PolarHBondContact O-N 2.69Å
46K97.3Very high96.6Very high11 Ų1113.9 Ų13.95%0.0488%0.075CC..Hα-helixtrans-51.5-54.8178.1-61-176.5-63.2-67.50113.4L38 G40 T41 T48 I49 V50 D201 V202 C225L38-K46 HydrophobicContact CB-CB 4.17Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.21Å; L38-K46 HydrophobicContact CD1-CB 4.19Å; L38-K46 WeakPolarHBondContact CD1-O 3.42Å; G40-K46 PolarHBondContact O-NZ 2.75Å; T41-K46 PolarHBondContact O-NZ 3.24Å; K46-T48 PolarHBondContact O-N 3.14Å; K46-I49 WeakPolarHBondContact O-CA 3.47Å; K46-I49 WeakPolarHBondContact O-CB 3.29Å; K46-I49 PolarHBondContact O-N 3.22Å; K46-V50 PolarHBondContact O-N 2.79Å; K46-V50 VanDerWaalsContact O-N 3.11Å; K46-D201 VanDerWaalsContact CB-OD1 3.26Å; K46-D201 WeakPolarHBondContact CB-OD1 3.27Å; K46-V202 WeakPolarHBondContact CE-O 3.23Å; K46-C225 HydrophobicContact CG-CB 4.03Å
47S96.9Very high96.5Very high30 Ų3015.9 Ų15.921%0.218%0.084CC..Hα-helixtrans-66.3-26-179-46.70000112.6G45 V50 K51 T182 D201G45-S47 PolarHBondContact O-N 3.44Å; S47-V50 WeakPolarHBondContact O-CB 3.44Å; S47-V50 PolarHBondContact O-N 3.46Å; S47-K51 WeakPolarHBondContact O-CG 3.28Å; S47-K51 PolarHBondContact O-N 3.16Å; S47-T182 PolarHBondContact OG-OG1 2.82Å; S47-D201 WeakPolarHBondContact CA-OD2 3.44Å; S47-D201 WeakPolarHBondContact CB-OD2 3.4Å; S47-D201 PolarHBondContact OG-OD2 2.84Å
48T97.3Very high96.4Very high24 Ų2418.7 Ų18.715%0.14710%0.104CC..Hα-helixtrans-67.7-40.4171-49.60000111G45 K46 V50 K51 Q52 L176 A327 T328G45-T48 WeakPolarHBondContact O-CB 3.2Å; G45-T48 PolarHBondContact O-N 3.21Å; G45-T48 VanDerWaalsContact O-N 3.13Å; K46-T48 PolarHBondContact O-N 3.14Å; T48-V50 VanDerWaalsContact C-N 3.31Å; T48-V50 PolarHBondContact O-N 3.39Å; T48-K51 WeakPolarHBondContact O-CB 3.02Å; T48-K51 PolarHBondContact O-N 2.89Å; T48-Q52 WeakPolarHBondContact O-CG 3.47Å; T48-Q52 PolarHBondContact O-N 3.21Å; T48-L176 HydrophobicContact CG2-CB 4.43Å; T48-L176 HydrophobicContact CG2-CD2 3.87Å; T48-A327 HydrophobicContact CG2-CB 3.65Å; T48-A327 WeakPolarHBondContact CG2-O 3.44Å; T48-T328 HydrophobicContact CG2-CG2 4.38Å
49I97.7Very high96.1Very high0 Ų022.5 Ų22.50%014%0.143CC..Hα-helixtrans-60.2-40.8172.2-61.1-59.1000111.3L38 G45 K46 Q52 M53 M199 F268 A327 I333L38-I49 HydrophobicContact CD1-CB 4.45Å; G45-I49 PolarHBondContact O-N 2.69Å; K46-I49 WeakPolarHBondContact O-CA 3.47Å; K46-I49 WeakPolarHBondContact O-CB 3.29Å; K46-I49 PolarHBondContact O-N 3.22Å; I49-Q52 WeakPolarHBondContact O-CB 3.46Å; I49-Q52 PolarHBondContact O-N 3.21Å; I49-M53 WeakPolarHBondContact O-CG 3.39Å; I49-M53 PolarHBondContact O-N 3.33Å; I49-M199 HydrophobicContact CG2-CE 4.34Å; I49-M199 HydrophobicContact CG2-SD 4.39Å; I49-F268 HydrophobicContact CD1-CD2 4.06Å; I49-F268 HydrophobicContact CD1-CE2 4.02Å; I49-F268 HydrophobicContact CG1-CD2 4.2Å; I49-F268 HydrophobicContact CG1-CE2 4.32Å; I49-F268 HydrophobicContact CG2-CE2 4.41Å; I49-A327 HydrophobicContact CD1-CB 3.79Å; I49-A327 HydrophobicContact CG1-CB 4.44Å; I49-I333 HydrophobicContact CD1-CD1 3.44Å; I49-I333 VanDerWaalsContact CD1-CD1 3.44Å; I49-I333 HydrophobicContact CD1-CG1 4.01Å; I49-I333 HydrophobicContact CD1-CG2 4.35Å
50V96.9Very high96Very high14 Ų1423.1 Ų23.19%0.08515%0.15CC..Hα-helixtrans-60.2-47.5174.3178.90000111.6L38 K46 S47 T48 Q52 M53 K54 N188 M199 D201L38-V50 HydrophobicContact CD1-CG2 3.51Å; K46-V50 PolarHBondContact O-N 2.79Å; K46-V50 VanDerWaalsContact O-N 3.11Å; S47-V50 WeakPolarHBondContact O-CB 3.44Å; S47-V50 PolarHBondContact O-N 3.46Å; T48-V50 VanDerWaalsContact C-N 3.31Å; T48-V50 PolarHBondContact O-N 3.39Å; V50-Q52 PolarHBondContact O-N 3.1Å; V50-M53 PolarHBondContact O-N 3.4Å; V50-M53 VanDerWaalsContact O-N 3.15Å; V50-K54 PolarHBondContact O-N 3.32Å; V50-K54 VanDerWaalsContact O-N 3.13Å; V50-N188 HydrophobicContact CG1-CB 4.05Å; V50-N188 WeakPolarHBondContact CG1-ND2 3.49Å; V50-M199 HydrophobicContact CG2-CG 4.35Å; V50-M199 HydrophobicContact CG2-SD 3.95Å; V50-D201 HydrophobicContact CG2-CB 3.67Å
51K96.9Very high95.9Very high24 Ų2424.2 Ų24.210%0.10416%0.155CC..Hα-helixtrans-58.2-38.9175.4-68.6168.8-179.6179.20111S47 T48 K54 I55 F61 I175 L176 S178S47-K51 WeakPolarHBondContact O-CG 3.28Å; S47-K51 PolarHBondContact O-N 3.16Å; T48-K51 WeakPolarHBondContact O-CB 3.02Å; T48-K51 PolarHBondContact O-N 2.89Å; K51-K54 WeakPolarHBondContact O-CB 3.31Å; K51-K54 PolarHBondContact O-N 3.44Å; K51-I55 WeakPolarHBondContact O-CG1 3.49Å; K51-I55 PolarHBondContact O-N 2.97Å; K51-F61 HydrophobicContact CB-CZ 4.19Å; K51-F61 HydrophobicContact CG-CZ 4.21Å; K51-I175 HydrophobicContact CD-CG2 4.28Å; K51-I175 PolarHBondContact NZ-O 3.41Å; K51-L176 HydrophobicContact CB-CD2 3.96Å; K51-S178 PolarHBondContact NZ-O 2.85Å; K51-S178 PolarHBondContact NZ-OG 2.8Å
52Q97.7Very high95.9Very high0 Ų029.2 Ų29.20%018%0.181CC..Hα-helixtrans-64.7-40175.5-70.8-70.924.100112.9T48 I49 V50 K54 I55 I56 L176 A327 T330 I333T48-Q52 WeakPolarHBondContact O-CG 3.47Å; T48-Q52 PolarHBondContact O-N 3.21Å; I49-Q52 WeakPolarHBondContact O-CB 3.46Å; I49-Q52 PolarHBondContact O-N 3.21Å; V50-Q52 PolarHBondContact O-N 3.1Å; Q52-K54 PolarHBondContact O-N 3.25Å; Q52-I55 PolarHBondContact O-N 3.25Å; Q52-I55 VanDerWaalsContact O-N 3.1Å; Q52-I56 HydrophobicContact CB-CD1 4.23Å; Q52-I56 WeakPolarHBondContact O-CB 3.4Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.24Å; Q52-I56 PolarHBondContact O-N 3.21Å; Q52-L176 HydrophobicContact CG-CD2 3.84Å; Q52-A327 WeakPolarHBondContact CG-O 3.39Å; Q52-A327 PolarHBondContact NE2-O 3.26Å; Q52-T330 PolarHBondContact NE2-OG1 3.13Å; Q52-T330 PolarHBondContact OE1-OG1 3.49Å; Q52-I333 HydrophobicContact CB-CB 4.41Å; Q52-I333 HydrophobicContact CB-CG2 3.76Å; Q52-I333 HydrophobicContact CG-CB 4.31Å; Q52-I333 HydrophobicContact CG-CG1 4.19Å; Q52-I333 HydrophobicContact CG-CG2 4.15Å
53M96.7Very high96Very high3 Ų332.9 Ų32.92%0.01520%0.2CC..Hα-helixtrans-62.6-34174.4-63.4-57.495.200112I49 V50 I56 H57 F190 M199 I333 F337I49-M53 WeakPolarHBondContact O-CG 3.39Å; I49-M53 PolarHBondContact O-N 3.33Å; V50-M53 PolarHBondContact O-N 3.4Å; V50-M53 VanDerWaalsContact O-N 3.15Å; M53-I56 HydrophobicContact CE-CD1 4.06Å; M53-H57 WeakPolarHBondContact O-CB 3.39Å; M53-H57 PolarHBondContact O-N 2.97Å; M53-F190 HydrophobicContact CB-CD1 3.85Å; M53-F190 HydrophobicContact CB-CE1 3.65Å; M53-F190 HydrophobicContact CB-CG 4.4Å; M53-F190 HydrophobicContact CB-CZ 4.04Å; M53-F190 HydrophobicContact CG-CD1 4.33Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.44Å; M53-F190 HydrophobicContact CG-CZ 3.68Å; M53-F190 HydrophobicContact SD-CE1 4.12Å; M53-F190 HydrophobicContact SD-CE2 3.91Å; M53-F190 HydrophobicContact SD-CZ 3.52Å; M53-F190 VanDerWaalsContact SD-CZ 3.52Å; M53-M199 HydrophobicContact CG-CE 3.5Å; M53-M199 HydrophobicContact CG-SD 3.72Å; M53-M199 HydrophobicContact SD-CE 4.12Å; M53-I333 HydrophobicContact CE-CG2 3.73Å; M53-F337 HydrophobicContact CE-CB 4.22Å; M53-F337 HydrophobicContact CE-CD1 4.4Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CG 3.92Å; M53-F337 HydrophobicContact SD-CD1 3.93Å; M53-F337 HydrophobicContact SD-CD2 3.71Å; M53-F337 HydrophobicContact SD-CE1 3.89Å; M53-F337 HydrophobicContact SD-CE2 3.66Å; M53-F337 HydrophobicContact SD-CG 3.85Å; M53-F337 HydrophobicContact SD-CZ 3.77Å
54K95.7Very high96.2Very high74 Ų7437.3 Ų37.332%0.32222%0.22SC..Hα-helixtrans-64.5-44172.3-173.9174.6176.1-178.40111.6V50 K51 Q52 S58 G59 G60 F61V50-K54 PolarHBondContact O-N 3.32Å; V50-K54 VanDerWaalsContact O-N 3.13Å; K51-K54 WeakPolarHBondContact O-CB 3.31Å; K51-K54 PolarHBondContact O-N 3.44Å; Q52-K54 PolarHBondContact O-N 3.25Å; K54-S58 CarbonylContact O-C 3.54Å; K54-S58 VanDerWaalsContact O-CA 3.27Å; K54-S58 WeakPolarHBondContact O-CA 3.31Å; K54-S58 WeakPolarHBondContact O-CB 3.23Å; K54-S58 PolarHBondContact O-N 2.95Å; K54-G59 PolarHBondContact O-N 2.82Å; K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.47Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 3.11Å; K54-F61 HydrophobicContact CD-CD1 4.26Å; K54-F61 HydrophobicContact CD-CE1 3.74Å; K54-F61 HydrophobicContact CD-CE2 4.46Å; K54-F61 HydrophobicContact CD-CZ 3.85Å
55I96.4Very high96.1Very high37 Ų3738 Ų3819%0.1923%0.225CC..Hα-helixtrans-63.5-53177.2-66.1158.7000111.7K51 Q52 F61 V172 L176 T330K51-I55 WeakPolarHBondContact O-CG1 3.49Å; K51-I55 PolarHBondContact O-N 2.97Å; Q52-I55 PolarHBondContact O-N 3.25Å; Q52-I55 VanDerWaalsContact O-N 3.1Å; I55-F61 HydrophobicContact CD1-CD2 4.46Å; I55-F61 HydrophobicContact CD1-CE2 3.95Å; I55-F61 HydrophobicContact CG1-CD2 3.97Å; I55-F61 HydrophobicContact CG1-CE2 3.69Å; I55-V172 HydrophobicContact CD1-CG1 3.43Å; I55-V172 VanDerWaalsContact CD1-CG1 3.43Å; I55-V172 HydrophobicContact CG1-CG1 4.09Å; I55-L176 HydrophobicContact CD1-CD1 4Å; I55-L176 HydrophobicContact CD1-CD2 3.75Å; I55-L176 HydrophobicContact CD1-CG 3.96Å; I55-T330 HydrophobicContact CG2-CG2 4.14Å
56I96.1Very high96.2Very high35 Ų3538 Ų3818%0.17922%0.224CC..Hα-helixtrans-76.2-37.3-170.2-60.3164.5000111.4Q52 M53 T330 I333 Q334Q52-I56 HydrophobicContact CB-CD1 4.23Å; Q52-I56 WeakPolarHBondContact O-CB 3.4Å; Q52-I56 VanDerWaalsContact O-CG1 3.28Å; Q52-I56 WeakPolarHBondContact O-CG1 3.24Å; Q52-I56 PolarHBondContact O-N 3.21Å; M53-I56 HydrophobicContact CE-CD1 4.06Å; I56-T330 HydrophobicContact CD1-CG2 4.27Å; I56-T330 HydrophobicContact CG1-CG2 3.85Å; I56-I333 HydrophobicContact CD1-CB 4.36Å; I56-I333 HydrophobicContact CD1-CG2 3.96Å; I56-Q334 HydrophobicContact CD1-CB 3.97Å; I56-Q334 HydrophobicContact CG2-CB 4.35Å; I56-Q334 HydrophobicContact CG2-CG 3.95Å
57H94.8Very high96.1Very high42 Ų4241.7 Ų41.719%0.19424%0.24CC..Hα-helixtrans-122.3-6.2-169-58.8-56.3000115.2M53 F190 F192 F337M53-H57 WeakPolarHBondContact O-CB 3.39Å; M53-H57 PolarHBondContact O-N 2.97Å; H57-F190 HydrophobicContact CB-CB 4.05Å; H57-F190 HydrophobicContact CB-CD2 3.75Å; H57-F190 HydrophobicContact CB-CG 4.19Å; H57-F190 AromaticContact CD2-CD2 3.75Å; H57-F190 AromaticContact CD2-CE2 3.74Å; H57-F190 AromaticContact CG-CD2 3.95Å; H57-F192 AromaticContact CE1-CD2 3.25Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.4Å; H57-F192 AromaticContact CE1-CE2 3.59Å; H57-F192 AromaticContact CE1-CG 3.64Å; H57-F192 AromaticContact ND1-CD2 3.65Å; H57-F337 AromaticContact NE2-CD1 3.81Å
58S93.7Very high96.1Very high60 Ų6047.6 Ų47.642%0.4226%0.264SS..SBendtrans-129.524-176-45.30000114.1K54 G60K54-S58 CarbonylContact O-C 3.54Å; K54-S58 VanDerWaalsContact O-CA 3.27Å; K54-S58 WeakPolarHBondContact O-CA 3.31Å; K54-S58 WeakPolarHBondContact O-CB 3.23Å; K54-S58 PolarHBondContact O-N 2.95Å; S58-G60 PolarHBondContact O-N 3.2Å
59G92.6Very high96.1Very high80 Ų8049 Ų4983%0.82527%0.267SS*.  trans75.26.2176.100000115.3K54K54-G59 PolarHBondContact O-N 2.82Å
60G94.8Very high96Very high14 Ų1450.8 Ų50.814%0.14428%0.275CS..  trans70.5-144.3174.800000115.1K54 S58K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.47Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 3.11Å; S58-G60 PolarHBondContact O-N 3.2Å
61F96Very high96Very high23 Ų2353.3 Ų53.310%0.10129%0.292CS..  trans-112.1120.8-176-60.6-91.2000108.8K51 K54 I55 A65 Y69 I175K51-F61 HydrophobicContact CB-CZ 4.19Å; K51-F61 HydrophobicContact CG-CZ 4.21Å; K54-F61 HydrophobicContact CD-CD1 4.26Å; K54-F61 HydrophobicContact CD-CE1 3.74Å; K54-F61 HydrophobicContact CD-CE2 4.46Å; K54-F61 HydrophobicContact CD-CZ 3.85Å; I55-F61 HydrophobicContact CD1-CD2 4.46Å; I55-F61 HydrophobicContact CD1-CE2 3.95Å; I55-F61 HydrophobicContact CG1-CD2 3.97Å; I55-F61 HydrophobicContact CG1-CE2 3.69Å; F61-A65 HydrophobicContact CB-CB 4.43Å; F61-A65 HydrophobicContact CD1-CB 4.31Å; F61-Y69 HydrophobicContact CD1-CE2 4.09Å; F61-Y69 AromaticContact CE1-CE2 3.81Å; F61-Y69 HydrophobicContact CE1-CE2 3.81Å; F61-I175 HydrophobicContact CB-CD1 4.13Å; F61-I175 HydrophobicContact CD1-CD1 4.27Å; F61-I175 HydrophobicContact CD1-CG2 4.44Å; F61-I175 HydrophobicContact CD2-CD1 4.28Å; F61-I175 HydrophobicContact CD2-CG2 4.36Å; F61-I175 HydrophobicContact CE1-CG2 3.97Å; F61-I175 HydrophobicContact CE2-CG2 3.9Å; F61-I175 HydrophobicContact CG-CD1 3.98Å; F61-I175 HydrophobicContact CZ-CG2 3.7Å
62N96Very high96Very high107 Ų10753.9 Ų53.957%0.57230%0.296SS*.  trans-77.2171.3170.567.318.1000110.3E64 A65 C66N62-E64 VanDerWaalsContact C-N 3.31Å; N62-E64 PolarHBondContact O-N 3.36Å; N62-E64 PolarHBondContact OD1-N 2.92Å; N62-A65 PolarHBondContact O-N 3Å; N62-A65 VanDerWaalsContact OD1-CB 3.23Å; N62-A65 WeakPolarHBondContact OD1-CB 3.46Å; N62-A65 PolarHBondContact OD1-N 2.8Å; N62-C66 PolarHBondContact O-N 3.05Å; N62-C66 PolarHBondContact O-SG 2.89Å; N62-C66 VanDerWaalsContact O-SG 3.35Å
63L96.5Very high95.9Very high90 Ų9053.9 Ų53.947%0.47130%0.296SS..Hα-helixtrans-54.1-43.8-175.9-179.959.7000113.6C66 K67 I169L63-C66 PolarHBondContact O-N 2.81Å; L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 3.27Å; L63-K67 VanDerWaalsContact O-N 3.08Å; L63-I169 HydrophobicContact CD1-CD1 3.71Å; L63-I169 HydrophobicContact CD1-CG1 4.19Å; L63-I169 HydrophobicContact CD1-CG2 3.73Å
64E96.3Very high96Very high107 Ų10753.7 Ų53.750%0.530%0.295SS..Hα-helixtrans-68.1-43.7-179.7-61.9-50.612900111.5N62 C66 K67 E68N62-E64 VanDerWaalsContact C-N 3.31Å; N62-E64 PolarHBondContact O-N 3.36Å; N62-E64 PolarHBondContact OD1-N 2.92Å; E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.83Å; E64-K67 WeakPolarHBondContact O-CB 3.37Å; E64-K67 PolarHBondContact O-N 2.85Å; E64-K67 VanDerWaalsContact O-N 3.14Å; E64-K67 IonicContact OE1-NZ 3.51Å; E64-K67 PolarHBondContact OE1-NZ 2.8Å; E64-K67 IonicContact OE2-NZ 3.8Å; E64-E68 PolarHBondContact O-N 2.92Å
65A95.5Very high96Very high13 Ų1354.8 Ų54.811%0.10730%0.297CS..Hα-helixtrans-61.5-35.7173.800000111.9F61 N62 E68 Y69F61-A65 HydrophobicContact CB-CB 4.43Å; F61-A65 HydrophobicContact CD1-CB 4.31Å; N62-A65 PolarHBondContact O-N 3Å; N62-A65 VanDerWaalsContact OD1-CB 3.23Å; N62-A65 WeakPolarHBondContact OD1-CB 3.46Å; N62-A65 PolarHBondContact OD1-N 2.8Å; A65-E68 PolarHBondContact O-N 2.81Å; A65-Y69 VanDerWaalsContact O-CD2 3.28Å; A65-Y69 WeakPolarHBondContact O-CD2 3.42Å
66C97.8Very high96.1Very high11 Ų1153.4 Ų53.47%0.07429%0.291CS..Hα-helixtrans-63.9-43.6174.1-68.20000111.8N62 L63 E64 E68 Y69 I169 P170 I175N62-C66 PolarHBondContact O-N 3.05Å; N62-C66 PolarHBondContact O-SG 2.89Å; N62-C66 VanDerWaalsContact O-SG 3.35Å; L63-C66 PolarHBondContact O-N 2.81Å; E64-C66 VanDerWaalsContact C-N 3.27Å; E64-C66 PolarHBondContact O-N 2.83Å; C66-E68 VanDerWaalsContact C-N 3.26Å; C66-E68 PolarHBondContact O-N 2.96Å; C66-Y69 PolarHBondContact O-N 2.85Å; C66-Y69 VanDerWaalsContact O-N 3.12Å; C66-I169 HydrophobicContact CB-CG2 3.98Å; C66-P170 WeakPolarHBondContact CB-O 3.43Å; C66-P170 WeakPolarHBondContact O-CB 3.3Å; C66-P170 WeakPolarHBondContact O-CD 3.48Å; C66-P170 WeakPolarHBondContact O-CG 3.04Å; C66-I175 HydrophobicContact CB-CD1 4.23Å
67K96.6Very high96.2Very high88 Ų8851.8 Ų51.838%0.38328%0.282SS..Hα-helixtrans-60.6-35178.7-71.1170.2-176.9167.10112.5L63 E64 Y69 K70L63-K67 WeakPolarHBondContact O-CG 3.43Å; L63-K67 PolarHBondContact O-N 3.27Å; L63-K67 VanDerWaalsContact O-N 3.08Å; E64-K67 WeakPolarHBondContact O-CB 3.37Å; E64-K67 PolarHBondContact O-N 2.85Å; E64-K67 VanDerWaalsContact O-N 3.14Å; E64-K67 IonicContact OE1-NZ 3.51Å; E64-K67 PolarHBondContact OE1-NZ 2.8Å; E64-K67 IonicContact OE2-NZ 3.8Å; K67-Y69 PolarHBondContact O-N 3.28Å; K67-K70 VanDerWaalsContact O-CB 3.32Å; K67-K70 WeakPolarHBondContact O-CB 3.35Å; K67-K70 PolarHBondContact O-N 3.33Å
68E96.2Very high96.3Very high153 Ų15349.8 Ų49.872%0.71527%0.273SS*.Hα-helixtrans-60.5-24.8177.3-69.4175.517800113.3E64 A65 C66E64-E68 PolarHBondContact O-N 2.92Å; A65-E68 PolarHBondContact O-N 2.81Å; C66-E68 VanDerWaalsContact C-N 3.26Å; C66-E68 PolarHBondContact O-N 2.96Å
69Y97Very high96.5Very high53 Ų5347.9 Ų47.921%0.20826%0.258CS..THydrogen-bonded Turntrans-81.6-12.9177.1-79.9-89.2000114.1F61 A65 C66 K67 L72 I73 I175F61-Y69 HydrophobicContact CD1-CE2 4.09Å; F61-Y69 AromaticContact CE1-CE2 3.81Å; F61-Y69 HydrophobicContact CE1-CE2 3.81Å; A65-Y69 VanDerWaalsContact O-CD2 3.28Å; A65-Y69 WeakPolarHBondContact O-CD2 3.42Å; C66-Y69 PolarHBondContact O-N 2.85Å; C66-Y69 VanDerWaalsContact O-N 3.12Å; K67-Y69 PolarHBondContact O-N 3.28Å; Y69-L72 HydrophobicContact CD1-CD2 4.05Å; Y69-L72 HydrophobicContact CE1-CD2 4.33Å; Y69-L72 PolarHBondContact O-N 3.47Å; Y69-I73 WeakPolarHBondContact O-CG1 3.35Å; Y69-I73 PolarHBondContact O-N 2.97Å; Y69-I175 HydrophobicContact CD1-CG1 4.37Å; Y69-I175 HydrophobicContact CD1-CG2 4.13Å; Y69-I175 HydrophobicContact CD2-CD1 4.06Å; Y69-I175 HydrophobicContact CD2-CG1 3.9Å; Y69-I175 HydrophobicContact CD2-CG2 4.11Å; Y69-I175 HydrophobicContact CE1-CG2 3.95Å; Y69-I175 HydrophobicContact CE2-CG2 3.91Å; Y69-I175 HydrophobicContact CG-CD1 4.47Å; Y69-I175 HydrophobicContact CG-CG1 3.84Å; Y69-I175 HydrophobicContact CG-CG2 4.23Å
70K96.3Very high96.7Very high39 Ų3944.2 Ų44.217%0.1722%0.22CC..Hα-helixtrans-56.1-49.1-174.7175.2176.5-1781710112.8K67 L72 I73 I74 A166 Y168 P170K67-K70 VanDerWaalsContact O-CB 3.32Å; K67-K70 WeakPolarHBondContact O-CB 3.35Å; K67-K70 PolarHBondContact O-N 3.33Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 3.02Å; K70-I73 PolarHBondContact O-N 3.36Å; K70-I74 HydrophobicContact CG-CD1 3.81Å; K70-I74 PolarHBondContact O-N 3.44Å; K70-A166 PolarHBondContact NZ-O 3.38Å; K70-Y168 HydrophobicContact CD-CD1 4.33Å; K70-Y168 HydrophobicContact CG-CD1 4.11Å; K70-Y168 HydrophobicContact CG-CE1 4.43Å; K70-P170 HydrophobicContact CB-CG 3.99Å
71P95.9Very high96.9Very high66 Ų6643.6 Ų43.643%0.42921%0.213SC..Hα-helixtrans-61.2-39178.8-23.835.5000113I74 Y75P71-I74 PolarHBondContact O-N 2.84Å; P71-Y75 WeakPolarHBondContact O-CB 3.25Å; P71-Y75 PolarHBondContact O-N 2.88Å
72L96.6Very high97Very high36 Ų3642.7 Ų42.719%0.18821%0.21CC..Hα-helixtrans-64.8-43.4178.5177.663.6000111.9Y69 K70 Y75 N76 D180Y69-L72 HydrophobicContact CD1-CD2 4.05Å; Y69-L72 HydrophobicContact CE1-CD2 4.33Å; Y69-L72 PolarHBondContact O-N 3.47Å; K70-L72 VanDerWaalsContact C-N 3.31Å; K70-L72 PolarHBondContact O-N 3.02Å; L72-Y75 WeakPolarHBondContact O-CB 3.49Å; L72-Y75 PolarHBondContact O-N 2.87Å; L72-N76 PolarHBondContact O-N 3.42Å; L72-N76 PolarHBondContact O-ND2 3.27Å; L72-D180 HydrophobicContact CD1-CB 4.23Å; L72-D180 HydrophobicContact CD2-CB 3.95Å
73I97.5Very high97.1Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-65.6-43179.4-72.2156.4000110.7Y69 K70 Y75 N76 A77 Y156 I163 Y168 P170 D174Y69-I73 WeakPolarHBondContact O-CG1 3.35Å; Y69-I73 PolarHBondContact O-N 2.97Å; K70-I73 PolarHBondContact O-N 3.36Å; I73-Y75 VanDerWaalsContact C-N 3.35Å; I73-N76 PolarHBondContact O-N 2.84Å; I73-A77 PolarHBondContact O-N 2.76Å; I73-Y156 HydrophobicContact CG1-CE1 4.39Å; I73-Y156 HydrophobicContact CG2-CD1 3.9Å; I73-Y156 HydrophobicContact CG2-CE1 3.55Å; I73-I163 HydrophobicContact CG2-CG2 4.17Å; I73-Y168 HydrophobicContact CG2-CE1 4.27Å; I73-P170 HydrophobicContact CD1-CB 3.48Å; I73-P170 VanDerWaalsContact CD1-CB 3.48Å; I73-P170 HydrophobicContact CD1-CG 3.55Å; I73-D174 HydrophobicContact CD1-CB 3.6Å; I73-D174 HydrophobicContact CG1-CB 4.35Å
74I97Very high97.2Very high0 Ų035.7 Ų35.70%017%0.169CC..Hα-helixtrans-61.6-45.2175.4-74.8168.6000110.7K70 P71 N76 A77 I78 G118 I120 I163K70-I74 HydrophobicContact CG-CD1 3.81Å; K70-I74 PolarHBondContact O-N 3.44Å; P71-I74 PolarHBondContact O-N 2.84Å; I74-N76 PolarHBondContact O-N 3.23Å; I74-A77 PolarHBondContact O-N 2.77Å; I74-I78 HydrophobicContact CG2-CD1 3.65Å; I74-I78 HydrophobicContact CG2-CG1 4.46Å; I74-I78 WeakPolarHBondContact O-CG1 3.41Å; I74-I78 PolarHBondContact O-N 2.99Å; I74-G118 WeakPolarHBondContact CD1-O 3.42Å; I74-I120 HydrophobicContact CG1-CD1 4.3Å; I74-I120 HydrophobicContact CG1-CG1 4.21Å; I74-I120 HydrophobicContact CG2-CD1 4.33Å; I74-I120 HydrophobicContact CG2-CG1 3.77Å; I74-I163 HydrophobicContact CG1-CG2 3.93Å
75Y97.1Very high97.3Very high96 Ų9631.1 Ų31.138%0.37615%0.148SC..Hα-helixtrans-57.2-46.7172.9171.8-98.4000111.7P71 L72 I73 A77 I78 D79 E115P71-Y75 WeakPolarHBondContact O-CB 3.25Å; P71-Y75 PolarHBondContact O-N 2.88Å; L72-Y75 WeakPolarHBondContact O-CB 3.49Å; L72-Y75 PolarHBondContact O-N 2.87Å; I73-Y75 VanDerWaalsContact C-N 3.35Å; Y75-A77 VanDerWaalsContact C-N 3.33Å; Y75-A77 PolarHBondContact O-N 3.4Å; Y75-I78 PolarHBondContact O-N 3.35Å; Y75-D79 HydrophobicContact CE1-CB 4.4Å; Y75-D79 HydrophobicContact CE2-CB 4.45Å; Y75-D79 VanDerWaalsContact O-CB 3.26Å; Y75-D79 WeakPolarHBondContact O-CB 3.31Å; Y75-D79 PolarHBondContact O-N 2.76Å; Y75-E115 HydrophobicContact CD2-CG 4.01Å
76N97.7Very high97.4Very high9 Ų937.4 Ų37.45%0.04817%0.169CC..Hα-helixtrans-60.6-40.1178.4-68168.1000112.6L72 I73 I74 S80 Y156 S178 R179L72-N76 PolarHBondContact O-N 3.42Å; L72-N76 PolarHBondContact O-ND2 3.27Å; I73-N76 PolarHBondContact O-N 2.84Å; I74-N76 PolarHBondContact O-N 3.23Å; N76-S80 VanDerWaalsContact O-CB 3.22Å; N76-S80 WeakPolarHBondContact O-CB 3.4Å; N76-S80 PolarHBondContact O-N 2.88Å; N76-S80 PolarHBondContact O-OG 3.47Å; N76-Y156 HydrophobicContact CB-CD2 4.15Å; N76-Y156 HydrophobicContact CB-CE2 3.85Å; N76-S178 WeakPolarHBondContact OD1-CA 3.21Å; N76-R179 PolarHBondContact ND2-O 3.19Å; N76-R179 PolarHBondContact OD1-N 2.66Å; N76-R179 PolarHBondContact OD1-O 2.95Å
77A98Very high97.4Very high0 Ų037.1 Ų37.10%017%0.167CC..Hα-helixtrans-65.9-47.2176.800000111.8I73 I74 Y75 S80 L81 M128 Y156I73-A77 PolarHBondContact O-N 2.76Å; I74-A77 PolarHBondContact O-N 2.77Å; Y75-A77 VanDerWaalsContact C-N 3.33Å; Y75-A77 PolarHBondContact O-N 3.4Å; A77-S80 PolarHBondContact O-N 3.45Å; A77-L81 PolarHBondContact O-N 3.15Å; A77-L81 VanDerWaalsContact O-N 3.15Å; A77-M128 HydrophobicContact CB-CE 4.48Å; A77-Y156 HydrophobicContact CB-CG 4.5Å
78I97.7Very high97.4Very high0 Ų033.2 Ų33.20%015%0.15CC..Hα-helixtrans-66.8-46.9-179.5-65.3168.4000111I74 Y75 S80 L81 T82 T111 A114 I120 L124 M128I74-I78 HydrophobicContact CG2-CD1 3.65Å; I74-I78 HydrophobicContact CG2-CG1 4.46Å; I74-I78 WeakPolarHBondContact O-CG1 3.41Å; I74-I78 PolarHBondContact O-N 2.99Å; Y75-I78 PolarHBondContact O-N 3.35Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.08Å; I78-L81 PolarHBondContact O-N 3.15Å; I78-T82 VanDerWaalsContact O-CB 3.23Å; I78-T82 WeakPolarHBondContact O-CB 3.45Å; I78-T82 PolarHBondContact O-N 3.28Å; I78-T82 PolarHBondContact O-OG1 3.24Å; I78-T111 HydrophobicContact CG2-CG2 3.64Å; I78-A114 HydrophobicContact CD1-CB 3.69Å; I78-I120 HydrophobicContact CD1-CG1 4.42Å; I78-L124 HydrophobicContact CD1-CD2 4.01Å; I78-L124 HydrophobicContact CG1-CD2 4.48Å; I78-M128 HydrophobicContact CG1-CE 3.99Å; I78-M128 HydrophobicContact CG1-SD 4.1Å
79D97.1Very high97.4Very high21 Ų2129.8 Ų29.811%0.11215%0.149CC..Hα-helixtrans-60.8-41178-176.642.9000110.8Y75 T82 R83Y75-D79 HydrophobicContact CE1-CB 4.4Å; Y75-D79 HydrophobicContact CE2-CB 4.45Å; Y75-D79 VanDerWaalsContact O-CB 3.26Å; Y75-D79 WeakPolarHBondContact O-CB 3.31Å; Y75-D79 PolarHBondContact O-N 2.76Å; D79-T82 PolarHBondContact O-N 2.93Å; D79-R83 VanDerWaalsContact CG-NE 3.25Å; D79-R83 WeakPolarHBondContact O-CB 3.49Å; D79-R83 WeakPolarHBondContact O-CD 3.37Å; D79-R83 VanDerWaalsContact O-CG 3.24Å; D79-R83 WeakPolarHBondContact O-CG 3.38Å; D79-R83 PolarHBondContact O-N 3.15Å; D79-R83 IonicContact OD1-CZ 3.83Å; D79-R83 IonicContact OD1-NE 2.84Å; D79-R83 PolarHBondContact OD1-NE 3.41Å; D79-R83 VanDerWaalsContact OD1-NE 3.08Å; D79-R83 IonicContact OD1-NH2 3.4Å; D79-R83 IonicContact OD2-CZ 3.47Å; D79-R83 IonicContact OD2-NE 2.73Å; D79-R83 PolarHBondContact OD2-NE 2.85Å; D79-R83 IonicContact OD2-NH2 3.6Å; D79-R83 PolarHBondContact OD2-NH2 3.36Å
80S98.1Very high97.3Very high3 Ų331.2 Ų31.22%0.02117%0.171CC..Hα-helixtrans-57.9-53.2176.2-67.80000112.1N76 A77 I78 T82 R83 I84 L149N76-S80 VanDerWaalsContact O-CB 3.22Å; N76-S80 WeakPolarHBondContact O-CB 3.4Å; N76-S80 PolarHBondContact O-N 2.88Å; N76-S80 PolarHBondContact O-OG 3.47Å; A77-S80 PolarHBondContact O-N 3.45Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.08Å; S80-T82 VanDerWaalsContact C-N 3.34Å; S80-T82 PolarHBondContact O-N 2.77Å; S80-R83 PolarHBondContact O-N 2.85Å; S80-I84 VanDerWaalsContact O-CG1 3.32Å; S80-I84 WeakPolarHBondContact O-CG1 3.27Å; S80-I84 PolarHBondContact O-N 3.49Å; S80-I84 VanDerWaalsContact O-N 3.16Å; S80-L149 WeakPolarHBondContact O-CD1 3.44Å
81L98.5Very high97.3Very high0 Ų030.8 Ų30.80%017%0.17CC..Hα-helixtrans-63.6-43.1178.3-174.961.7000111.3A77 I78 R83 I84 I85 L107 M128 L131 W132 L157A77-L81 PolarHBondContact O-N 3.15Å; A77-L81 VanDerWaalsContact O-N 3.15Å; I78-L81 PolarHBondContact O-N 3.15Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 3.06Å; L81-I84 WeakPolarHBondContact O-CB 3.25Å; L81-I84 PolarHBondContact O-N 3.05Å; L81-I84 VanDerWaalsContact O-N 3.09Å; L81-I85 HydrophobicContact CD1-CD1 4.32Å; L81-I85 HydrophobicContact CD1-CG1 4.26Å; L81-I85 HydrophobicContact CG-CG1 4.22Å; L81-I85 WeakPolarHBondContact O-CG1 3.42Å; L81-I85 PolarHBondContact O-N 3.3Å; L81-L107 HydrophobicContact CD2-CD1 4.09Å; L81-L107 HydrophobicContact CD2-CD2 4.06Å; L81-L107 HydrophobicContact CG-CD2 3.97Å; L81-M128 HydrophobicContact CB-CE 4.44Å; L81-M128 HydrophobicContact CD2-CB 3.73Å; L81-M128 HydrophobicContact CD2-CE 4.19Å; L81-M128 HydrophobicContact CD2-CG 3.73Å; L81-L131 HydrophobicContact CD1-CB 4.29Å; L81-L131 HydrophobicContact CD2-CB 4.18Å; L81-L131 HydrophobicContact CD2-CD1 4.29Å; L81-W132 HydrophobicContact CD1-CB 4.37Å; L81-W132 HydrophobicContact CD1-CE3 4.47Å; L81-L157 HydrophobicContact CB-CD1 4.39Å; L81-L157 HydrophobicContact CB-CD2 3.87Å
82T97.7Very high97.4Very high4 Ų438.6 Ų38.63%0.02519%0.192CC..Hα-helixtrans-56.8-41.7179.2-61.20000111.6I78 D79 S80 I85 R86 F108I78-T82 VanDerWaalsContact O-CB 3.23Å; I78-T82 WeakPolarHBondContact O-CB 3.45Å; I78-T82 PolarHBondContact O-N 3.28Å; I78-T82 PolarHBondContact O-OG1 3.24Å; D79-T82 PolarHBondContact O-N 2.93Å; S80-T82 VanDerWaalsContact C-N 3.34Å; S80-T82 PolarHBondContact O-N 2.77Å; T82-I85 PolarHBondContact O-N 3.39Å; T82-R86 VanDerWaalsContact CG2-CZ 3.5Å; T82-R86 WeakPolarHBondContact O-CG 3.34Å; T82-R86 PolarHBondContact O-N 3.48Å; T82-F108 HydrophobicContact CG2-CD1 4.05Å; T82-F108 HydrophobicContact CG2-CE1 3.46Å; T82-F108 VanDerWaalsContact CG2-CE1 3.46Å; T82-F108 HydrophobicContact CG2-CZ 4.32Å
83R97.9Very high97.5Very high50 Ų5038.2 Ų38.219%0.18919%0.189CC..Hα-helixtrans-65.2-42.7175.6-73.8164.6177.6-13017.5112.5D79 S80 L81 R86 A87 H148 L149D79-R83 VanDerWaalsContact CG-NE 3.25Å; D79-R83 WeakPolarHBondContact O-CB 3.49Å; D79-R83 WeakPolarHBondContact O-CD 3.37Å; D79-R83 VanDerWaalsContact O-CG 3.24Å; D79-R83 WeakPolarHBondContact O-CG 3.38Å; D79-R83 PolarHBondContact O-N 3.15Å; D79-R83 IonicContact OD1-CZ 3.83Å; D79-R83 IonicContact OD1-NE 2.84Å; D79-R83 PolarHBondContact OD1-NE 3.41Å; D79-R83 VanDerWaalsContact OD1-NE 3.08Å; D79-R83 IonicContact OD1-NH2 3.4Å; D79-R83 IonicContact OD2-CZ 3.47Å; D79-R83 IonicContact OD2-NE 2.73Å; D79-R83 PolarHBondContact OD2-NE 2.85Å; D79-R83 IonicContact OD2-NH2 3.6Å; D79-R83 PolarHBondContact OD2-NH2 3.36Å; S80-R83 PolarHBondContact O-N 2.85Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 3.06Å; R83-R86 PolarHBondContact O-N 2.97Å; R83-A87 WeakPolarHBondContact O-CB 3.31Å; R83-A87 PolarHBondContact O-N 3.42Å; R83-H148 WeakPolarHBondContact CD-O 3.38Å; R83-H148 PolarHBondContact NH1-O 2.88Å; R83-L149 HydrophobicContact CB-CD1 4.13Å
84I98.6Very high97.5Very high0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-60.4-48.4175.8-63.7164.3000109.7S80 L81 R86 A87 L88 W132 A137 C140 F141 Y147 L149 L157S80-I84 VanDerWaalsContact O-CG1 3.32Å; S80-I84 WeakPolarHBondContact O-CG1 3.27Å; S80-I84 PolarHBondContact O-N 3.49Å; S80-I84 VanDerWaalsContact O-N 3.16Å; L81-I84 WeakPolarHBondContact O-CB 3.25Å; L81-I84 PolarHBondContact O-N 3.05Å; L81-I84 VanDerWaalsContact O-N 3.09Å; I84-R86 PolarHBondContact O-N 3.34Å; I84-A87 WeakPolarHBondContact O-CA 3.24Å; I84-A87 WeakPolarHBondContact O-CB 3.48Å; I84-A87 PolarHBondContact O-N 2.93Å; I84-L88 WeakPolarHBondContact O-CD1 3.25Å; I84-L88 PolarHBondContact O-N 3.41Å; I84-L88 VanDerWaalsContact O-N 3.08Å; I84-W132 HydrophobicContact CD1-CE3 4.23Å; I84-W132 HydrophobicContact CD1-CH2 4.49Å; I84-W132 HydrophobicContact CD1-CZ3 3.68Å; I84-A137 HydrophobicContact CG2-CB 4.43Å; I84-C140 HydrophobicContact CG2-CB 4.23Å; I84-F141 HydrophobicContact CD1-CD2 4.01Å; I84-Y147 HydrophobicContact CG1-CE2 4.3Å; I84-L149 HydrophobicContact CD1-CD1 4.25Å; I84-L149 HydrophobicContact CD1-CD2 3.97Å; I84-L149 HydrophobicContact CG1-CD1 3.92Å; I84-L149 HydrophobicContact CG1-CD2 3.84Å; I84-L157 HydrophobicContact CD1-CD1 3.77Å
85I98.1Very high97.5Very high11 Ų1146.9 Ų46.96%0.05623%0.234CC..Hα-helixtrans-61.8-40.7179.3-61.5-46.3000112.5L81 T82 A87 L88 F95 A104 L107 F108 L131L81-I85 HydrophobicContact CD1-CD1 4.32Å; L81-I85 HydrophobicContact CD1-CG1 4.26Å; L81-I85 HydrophobicContact CG-CG1 4.22Å; L81-I85 WeakPolarHBondContact O-CG1 3.42Å; L81-I85 PolarHBondContact O-N 3.3Å; T82-I85 PolarHBondContact O-N 3.39Å; I85-A87 VanDerWaalsContact C-N 3.3Å; I85-A87 PolarHBondContact O-N 3.11Å; I85-L88 HydrophobicContact CD1-CD1 3.65Å; I85-L88 PolarHBondContact O-N 3.48Å; I85-F95 HydrophobicContact CD1-CE1 3.87Å; I85-F95 HydrophobicContact CD1-CZ 3.99Å; I85-F95 HydrophobicContact CG2-CZ 4.36Å; I85-A104 HydrophobicContact CG2-CB 3.77Å; I85-L107 HydrophobicContact CB-CD2 4.33Å; I85-L107 HydrophobicContact CG1-CD2 3.8Å; I85-F108 HydrophobicContact CB-CZ 4.48Å; I85-F108 HydrophobicContact CG2-CE2 3.85Å; I85-F108 HydrophobicContact CG2-CZ 4.05Å; I85-L131 HydrophobicContact CD1-CB 4.25Å; I85-L131 HydrophobicContact CD1-CD1 4.46Å; I85-L131 HydrophobicContact CD1-CD2 4.05Å; I85-L131 HydrophobicContact CG1-CD1 4.31Å
86R97.3Very high97.6Very high145 Ų14549 Ų4955%0.54725%0.247SC..Hα-helixtrans-64.5-36.1172.8-71.8178.2-179.9138.43.2112.2T82 R83 I84 F108T82-R86 VanDerWaalsContact CG2-CZ 3.5Å; T82-R86 WeakPolarHBondContact O-CG 3.34Å; T82-R86 PolarHBondContact O-N 3.48Å; R83-R86 PolarHBondContact O-N 2.97Å; I84-R86 PolarHBondContact O-N 3.34Å; R86-F108 HydrophobicContact CG-CE1 4.01Å; R86-F108 HydrophobicContact CG-CZ 3.77Å
87A98Very high97.6Very high5 Ų551 Ų514%0.04126%0.257CS..Hα-helixtrans-71.5-26.5-178.900000113.3R83 I84 I85 A89 A90 L91 C140 Y147R83-A87 WeakPolarHBondContact O-CB 3.31Å; R83-A87 PolarHBondContact O-N 3.42Å; I84-A87 WeakPolarHBondContact O-CA 3.24Å; I84-A87 WeakPolarHBondContact O-CB 3.48Å; I84-A87 PolarHBondContact O-N 2.93Å; I85-A87 VanDerWaalsContact C-N 3.3Å; I85-A87 PolarHBondContact O-N 3.11Å; A87-A89 VanDerWaalsContact C-N 3.31Å; A87-A89 PolarHBondContact O-N 3.31Å; A87-A90 PolarHBondContact O-N 3.13Å; A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 2.82Å; A87-C140 VanDerWaalsContact CB-SG 3.58Å; A87-Y147 HydrophobicContact CB-CD1 3.58Å; A87-Y147 HydrophobicContact CB-CD2 3.71Å; A87-Y147 HydrophobicContact CB-CE1 3.66Å; A87-Y147 HydrophobicContact CB-CE2 3.8Å; A87-Y147 HydrophobicContact CB-CG 3.6Å
88L98Very high97.5Very high6 Ų655.9 Ų55.93%0.03129%0.289CS..Hα-helixtrans-51.7-50.4172.9-86.2119.7000111.2I84 I85 L91 R92 I93 F95 A137 C140I84-L88 WeakPolarHBondContact O-CD1 3.25Å; I84-L88 PolarHBondContact O-N 3.41Å; I84-L88 VanDerWaalsContact O-N 3.08Å; I85-L88 HydrophobicContact CD1-CD1 3.65Å; I85-L88 PolarHBondContact O-N 3.48Å; L88-L91 PolarHBondContact O-N 2.57Å; L88-R92 PolarHBondContact O-N 2.98Å; L88-I93 HydrophobicContact CD2-CB 4.17Å; L88-I93 HydrophobicContact CD2-CG2 3.98Å; L88-I93 VanDerWaalsContact CD2-O 3.3Å; L88-I93 WeakPolarHBondContact CD2-O 3.39Å; L88-I93 HydrophobicContact CG-CB 4.48Å; L88-I93 PolarHBondContact O-N 2.91Å; L88-F95 HydrophobicContact CD1-CE1 3.85Å; L88-F95 HydrophobicContact CD1-CZ 4.13Å; L88-F95 HydrophobicContact CD2-CD1 4.05Å; L88-F95 HydrophobicContact CD2-CE1 4.07Å; L88-A137 HydrophobicContact CD1-CB 4.42Å; L88-C140 HydrophobicContact CD1-CB 4.46Å; L88-C140 HydrophobicContact CG-CB 4.01Å
89A94.7Very high97.4Very high82 Ų8261 Ų6168%0.67832%0.316SS*.Hα-helixtrans-64.2-44.4178.700000112.5A87 L91 R92A87-A89 VanDerWaalsContact C-N 3.31Å; A87-A89 PolarHBondContact O-N 3.31Å; A89-L91 VanDerWaalsContact C-N 3.3Å; A89-L91 PolarHBondContact O-N 2.84Å; A89-R92 PolarHBondContact O-N 2.68Å
90A94.7Very high97.5Very high83 Ų8361.5 Ų61.569%0.68632%0.317SS*.Hα-helixtrans-63.5-36.518000000112.6A87A87-A90 PolarHBondContact O-N 3.13Å
91L97.5Very high97.4Very high29 Ų2963.9 Ų63.915%0.15234%0.337CS..Hα-helixtrans-92.30.9-179.4-60.5-174.6000113.6A87 L88 A89 I93 R143 E146 Y147A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 2.82Å; L88-L91 PolarHBondContact O-N 2.57Å; A89-L91 VanDerWaalsContact C-N 3.3Å; A89-L91 PolarHBondContact O-N 2.84Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-I93 HydrophobicContact CB-CD1 3.86Å; L91-I93 HydrophobicContact CB-CG1 3.94Å; L91-I93 HydrophobicContact CD1-CD1 4.18Å; L91-I93 PolarHBondContact O-N 3.27Å; L91-R143 HydrophobicContact CD1-CB 3.96Å; L91-E146 HydrophobicContact CD1-CB 4.47Å; L91-E146 HydrophobicContact CD2-CB 4.06Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.43Å; L91-Y147 HydrophobicContact CD1-CD1 4Å; L91-Y147 HydrophobicContact CD1-CE1 4Å
92R97.5Very high97.4Very high231 Ų23171.1 Ų71.187%0.87237%0.365SS*.THydrogen-bonded Turntrans53.446.8-177-54.6-179.9-177.5-178.7-0.1112.3L88 A89L88-R92 PolarHBondContact O-N 2.98Å; A89-R92 PolarHBondContact O-N 2.68Å
93I97.9Very high97.4Very high28 Ų2871.3 Ų71.314%0.14437%0.366CS..PPolyproline II helixtrans-103.1124.9173.7-55.5173000106.7L88 L91 G136 A139 C140L88-I93 HydrophobicContact CD2-CB 4.17Å; L88-I93 HydrophobicContact CD2-CG2 3.98Å; L88-I93 VanDerWaalsContact CD2-O 3.3Å; L88-I93 WeakPolarHBondContact CD2-O 3.39Å; L88-I93 HydrophobicContact CG-CB 4.48Å; L88-I93 PolarHBondContact O-N 2.91Å; L91-I93 VanDerWaalsContact C-N 3.3Å; L91-I93 HydrophobicContact CB-CD1 3.86Å; L91-I93 HydrophobicContact CB-CG1 3.94Å; L91-I93 HydrophobicContact CD1-CD1 4.18Å; L91-I93 PolarHBondContact O-N 3.27Å; I93-G136 WeakPolarHBondContact CG2-O 3.4Å; I93-A139 HydrophobicContact CG2-CB 4.48Å; I93-C140 HydrophobicContact CD1-CB 3.77Å
94D97.9Very high97.4Very high139 Ų13969.4 Ų69.474%0.74336%0.361SS*.PPolyproline II helixtrans-85.1153.5174.2-64.1-43.9000110.4
95F98.3Very high97.4Very high42 Ų4273.9 Ų73.918%0.18439%0.388CS..PPolyproline II helixtrans-63.1141.8164.8-68.8-67.1000110.1I85 L88 N97 R100 A104 L131 D134I85-F95 HydrophobicContact CD1-CE1 3.87Å; I85-F95 HydrophobicContact CD1-CZ 3.99Å; I85-F95 HydrophobicContact CG2-CZ 4.36Å; L88-F95 HydrophobicContact CD1-CE1 3.85Å; L88-F95 HydrophobicContact CD1-CZ 4.13Å; L88-F95 HydrophobicContact CD2-CD1 4.05Å; L88-F95 HydrophobicContact CD2-CE1 4.07Å; F95-N97 WeakPolarHBondContact CB-O 3.41Å; F95-R100 HydrophobicContact CB-CB 3.85Å; F95-R100 HydrophobicContact CB-CG 4.41Å; F95-R100 HydrophobicContact CD1-CB 3.53Å; F95-R100 HydrophobicContact CD1-CG 4.2Å; F95-R100 HydrophobicContact CD2-CB 3.94Å; F95-R100 HydrophobicContact CE1-CB 3.99Å; F95-R100 HydrophobicContact CE2-CB 4.35Å; F95-R100 HydrophobicContact CG-CB 3.5Å; F95-R100 HydrophobicContact CG-CG 4.39Å; F95-R100 HydrophobicContact CZ-CB 4.37Å; F95-A104 HydrophobicContact CE2-CB 4.06Å; F95-A104 HydrophobicContact CZ-CB 3.93Å; F95-L131 HydrophobicContact CE1-CD2 3.83Å; F95-L131 HydrophobicContact CZ-CD2 3.95Å; F95-D134 HydrophobicContact CD1-CB 4.44Å
96H97.9Very high97.4Very high140 Ų14075.1 Ų75.165%0.64839%0.393SS*.SBendtrans-69.5-41.7174.4-177.176000111D134 P135H96-D134 PolarHBondContact N-OD1 2.79Å; H96-D134 PolarHBondContact N-OD2 3.07Å; H96-P135 HydrophobicContact CB-CB 3.88Å; H96-P135 HydrophobicContact CB-CG 3.93Å
97N97.8Very high97.4Very high52 Ų5268.2 Ų68.228%0.27837%0.367SS..SBendtrans-97.8117.4169.1-179-21000110.3F95 D99 R100 D134F95-N97 WeakPolarHBondContact CB-O 3.41Å; N97-D99 PolarHBondContact O-N 2.93Å; N97-D99 VanDerWaalsContact O-N 3.12Å; N97-D99 VanDerWaalsContact OD1-CB 3.25Å; N97-D99 WeakPolarHBondContact OD1-CB 3.38Å; N97-D99 PolarHBondContact OD1-N 2.82Å; N97-D99 PolarHBondContact OD1-OD2 3.21Å; N97-R100 HydrophobicContact CB-CG 4.12Å; N97-R100 PolarHBondContact ND2-NH1 2.83Å; N97-R100 VanDerWaalsContact O-CB 3.26Å; N97-R100 WeakPolarHBondContact O-CB 3.46Å; N97-R100 VanDerWaalsContact O-CG 3.26Å; N97-R100 WeakPolarHBondContact O-CG 3.33Å; N97-R100 PolarHBondContact O-N 3.28Å; N97-D134 PolarHBondContact N-OD2 2.84Å
98P96.5Very high97.3Very high103 Ų10372 Ų7267%0.66938%0.383SS*.THydrogen-bonded Turntrans-56-28.1178.7-27.135.6000115.1R100 A101P98-R100 PolarHBondContact O-N 2.79Å; P98-R100 VanDerWaalsContact O-N 3.14Å; P98-A101 WeakPolarHBondContact O-CB 3.24Å; P98-A101 PolarHBondContact O-N 3.3Å
99D96.6Very high97.3Very high106 Ų10674.6 Ų74.657%0.56741%0.406SS*.THydrogen-bonded Turntrans-61.7-22.6177.4-62-25000112.2N97 A101 Y102 D103N97-D99 PolarHBondContact O-N 2.93Å; N97-D99 VanDerWaalsContact O-N 3.12Å; N97-D99 VanDerWaalsContact OD1-CB 3.25Å; N97-D99 WeakPolarHBondContact OD1-CB 3.38Å; N97-D99 PolarHBondContact OD1-N 2.82Å; N97-D99 PolarHBondContact OD1-OD2 3.21Å; D99-A101 PolarHBondContact O-N 2.97Å; D99-Y102 WeakPolarHBondContact O-CB 3.18Å; D99-Y102 PolarHBondContact O-N 3.31Å; D99-Y102 VanDerWaalsContact O-N 3.09Å; D99-D103 PolarHBondContact O-N 2.85Å
100R97.9Very high97.3Very high32 Ų3272.1 Ų72.112%0.12138%0.381CS..Hα-helixtrans-64.6-19.9176.3-60.9-62.381.776.67.8112.7F95 N97 P98 Y102 D103 A104 R130 L131 D134F95-R100 HydrophobicContact CB-CB 3.85Å; F95-R100 HydrophobicContact CB-CG 4.41Å; F95-R100 HydrophobicContact CD1-CB 3.53Å; F95-R100 HydrophobicContact CD1-CG 4.2Å; F95-R100 HydrophobicContact CD2-CB 3.94Å; F95-R100 HydrophobicContact CE1-CB 3.99Å; F95-R100 HydrophobicContact CE2-CB 4.35Å; F95-R100 HydrophobicContact CG-CB 3.5Å; F95-R100 HydrophobicContact CG-CG 4.39Å; F95-R100 HydrophobicContact CZ-CB 4.37Å; N97-R100 HydrophobicContact CB-CG 4.12Å; N97-R100 PolarHBondContact ND2-NH1 2.83Å; N97-R100 VanDerWaalsContact O-CB 3.26Å; N97-R100 WeakPolarHBondContact O-CB 3.46Å; N97-R100 VanDerWaalsContact O-CG 3.26Å; N97-R100 WeakPolarHBondContact O-CG 3.33Å; N97-R100 PolarHBondContact O-N 3.28Å; P98-R100 PolarHBondContact O-N 2.79Å; P98-R100 VanDerWaalsContact O-N 3.14Å; R100-Y102 VanDerWaalsContact C-N 3.27Å; R100-Y102 PolarHBondContact O-N 3.26Å; R100-D103 IonicContact CZ-OD2 3.27Å; R100-D103 VanDerWaalsContact CZ-OD2 3.27Å; R100-D103 IonicContact NE-OD2 2.68Å; R100-D103 PolarHBondContact NE-OD2 2.7Å; R100-D103 IonicContact NH2-OD2 3.05Å; R100-D103 PolarHBondContact NH2-OD2 3.01Å; R100-D103 PolarHBondContact O-N 3.28Å; R100-A104 WeakPolarHBondContact O-CB 3.5Å; R100-A104 PolarHBondContact O-N 2.78Å; R100-R130 VanDerWaalsContact CD-O 3.26Å; R100-R130 WeakPolarHBondContact CD-O 3.49Å; R100-L131 HydrophobicContact CB-CD2 4.06Å; R100-D134 HydrophobicContact CG-CB 4.04Å
101A96.9Very high97.3Very high53 Ų5368.9 Ų68.944%0.43835%0.353SS..Hα-helixtrans-60.2-39171.500000111.7P98 D99 A104 V105P98-A101 WeakPolarHBondContact O-CB 3.24Å; P98-A101 PolarHBondContact O-N 3.3Å; D99-A101 PolarHBondContact O-N 2.97Å; A101-A104 PolarHBondContact O-N 2.67Å; A101-V105 PolarHBondContact O-N 2.88Å
102Y97.7Very high97Very high153 Ų15369.5 Ų69.560%0.637%0.366SS*.Hα-helixtrans-69.2-42.8174.3-178-100.5000111.4D99 R100 A104 V105 Q106D99-Y102 WeakPolarHBondContact O-CB 3.18Å; D99-Y102 PolarHBondContact O-N 3.31Å; D99-Y102 VanDerWaalsContact O-N 3.09Å; R100-Y102 VanDerWaalsContact C-N 3.27Å; R100-Y102 PolarHBondContact O-N 3.26Å; Y102-A104 VanDerWaalsContact C-N 3.26Å; Y102-A104 PolarHBondContact O-N 3.1Å; Y102-V105 WeakPolarHBondContact O-CB 3.39Å; Y102-V105 PolarHBondContact O-N 3.15Å; Y102-V105 VanDerWaalsContact O-N 3.14Å; Y102-Q106 HydrophobicContact CD1-CG 4Å; Y102-Q106 HydrophobicContact CE1-CG 3.63Å; Y102-Q106 WeakPolarHBondContact O-CG 3.41Å; Y102-Q106 PolarHBondContact O-N 3.34Å; Y102-Q106 PolarHBondContact OH-NE2 2.88Å
103D98.3Very high96.7Very high7 Ų762 Ų624%0.03735%0.347CS..Hα-helixtrans-59.6-37.4175.4-71.4-38.5000111.8D99 R100 Q106 L107 V127 R130 L131D99-D103 PolarHBondContact O-N 2.85Å; R100-D103 IonicContact CZ-OD2 3.27Å; R100-D103 VanDerWaalsContact CZ-OD2 3.27Å; R100-D103 IonicContact NE-OD2 2.68Å; R100-D103 PolarHBondContact NE-OD2 2.7Å; R100-D103 IonicContact NH2-OD2 3.05Å; R100-D103 PolarHBondContact NH2-OD2 3.01Å; R100-D103 PolarHBondContact O-N 3.28Å; D103-Q106 PolarHBondContact O-N 3.22Å; D103-L107 PolarHBondContact O-N 3.45Å; D103-V127 HydrophobicContact CB-CG1 4.18Å; D103-V127 WeakPolarHBondContact O-CG1 3.34Å; D103-R130 IonicContact OD1-CZ 3.17Å; D103-R130 IonicContact OD1-NE 3.41Å; D103-R130 PolarHBondContact OD1-NE 3.26Å; D103-R130 IonicContact OD1-NH2 3.87Å; D103-R130 PolarHBondContact OD1-NH2 2.96Å; D103-R130 IonicContact OD2-CZ 2.9Å; D103-R130 IonicContact OD2-NE 2.74Å; D103-R130 PolarHBondContact OD2-NE 3.13Å; D103-R130 IonicContact OD2-NH2 3.73Å; D103-L131 HydrophobicContact CB-CD1 4.27Å; D103-L131 HydrophobicContact CB-CD2 3.83Å; D103-L131 HydrophobicContact CB-CG 3.85Å
104A97.9Very high96.3Very high10 Ų1060.8 Ų60.88%0.08334%0.341CS..Hα-helixtrans-62.5-43.5175.500000111.7I85 F95 R100 A101 Y102 Q106 L107 F108 L131I85-A104 HydrophobicContact CG2-CB 3.77Å; F95-A104 HydrophobicContact CE2-CB 4.06Å; F95-A104 HydrophobicContact CZ-CB 3.93Å; R100-A104 WeakPolarHBondContact O-CB 3.5Å; R100-A104 PolarHBondContact O-N 2.78Å; A101-A104 PolarHBondContact O-N 2.67Å; Y102-A104 VanDerWaalsContact C-N 3.26Å; Y102-A104 PolarHBondContact O-N 3.1Å; A104-Q106 VanDerWaalsContact C-N 3.33Å; A104-Q106 PolarHBondContact O-N 3.09Å; A104-L107 WeakPolarHBondContact O-CB 3.11Å; A104-L107 PolarHBondContact O-N 2.85Å; A104-F108 WeakPolarHBondContact O-CD2 3.38Å; A104-F108 PolarHBondContact O-N 2.86Å; A104-L131 HydrophobicContact CB-CD2 4.31Å
105V97.6Very high96Very high94 Ų9457.8 Ų57.857%0.5732%0.323SS*.Hα-helixtrans-60.7-44.3173.9174.90000110.7A101 Y102 L107 F108 A109A101-V105 PolarHBondContact O-N 2.88Å; Y102-V105 WeakPolarHBondContact O-CB 3.39Å; Y102-V105 PolarHBondContact O-N 3.15Å; Y102-V105 VanDerWaalsContact O-N 3.14Å; V105-L107 PolarHBondContact O-N 3.25Å; V105-F108 PolarHBondContact O-N 3.35Å; V105-A109 PolarHBondContact O-N 2.86Å; V105-A109 VanDerWaalsContact O-N 3.11Å
106Q97.9Very high95.6Very high37 Ų3760.9 Ų60.917%0.17335%0.35CS..Hα-helixtrans-64-38.8178-67.9-59.4-24.100112.6Y102 D103 A104 F108 A109 L110 V127Y102-Q106 HydrophobicContact CD1-CG 4Å; Y102-Q106 HydrophobicContact CE1-CG 3.63Å; Y102-Q106 WeakPolarHBondContact O-CG 3.41Å; Y102-Q106 PolarHBondContact O-N 3.34Å; Y102-Q106 PolarHBondContact OH-NE2 2.88Å; D103-Q106 PolarHBondContact O-N 3.22Å; A104-Q106 VanDerWaalsContact C-N 3.33Å; A104-Q106 PolarHBondContact O-N 3.09Å; Q106-F108 PolarHBondContact O-N 2.79Å; Q106-A109 PolarHBondContact O-N 2.76Å; Q106-L110 HydrophobicContact CB-CD1 4.5Å; Q106-L110 WeakPolarHBondContact O-CB 3.28Å; Q106-L110 VanDerWaalsContact O-CG 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.44Å; Q106-L110 PolarHBondContact O-N 3.26Å; Q106-V127 HydrophobicContact CB-CG1 4.42Å; Q106-V127 HydrophobicContact CB-CG2 3.93Å
107L98Very high95.2Very high0 Ų061.2 Ų61.20%035%0.349CS..Hα-helixtrans-53-55.1174.7176.266.9000110.1L81 I85 D103 A104 V105 A109 L110 T111 L124 V127 M128 L131L81-L107 HydrophobicContact CD2-CD1 4.09Å; L81-L107 HydrophobicContact CD2-CD2 4.06Å; L81-L107 HydrophobicContact CG-CD2 3.97Å; I85-L107 HydrophobicContact CB-CD2 4.33Å; I85-L107 HydrophobicContact CG1-CD2 3.8Å; D103-L107 PolarHBondContact O-N 3.45Å; A104-L107 WeakPolarHBondContact O-CB 3.11Å; A104-L107 PolarHBondContact O-N 2.85Å; V105-L107 PolarHBondContact O-N 3.25Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.46Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-L110 VanDerWaalsContact O-N 3.17Å; L107-T111 PolarHBondContact O-N 3.35Å; L107-T111 PolarHBondContact O-OG1 2.9Å; L107-L124 HydrophobicContact CD1-CD1 3.88Å; L107-V127 HydrophobicContact CB-CG1 3.94Å; L107-M128 HydrophobicContact CD1-CG 4.04Å; L107-L131 HydrophobicContact CB-CD1 3.85Å; L107-L131 HydrophobicContact CD2-CD1 3.86Å; L107-L131 HydrophobicContact CG-CD1 4.34Å
108F96.5Very high94.8Very high84 Ų8459 Ų5937%0.36834%0.339SS..Hα-helixtrans-64.6-31.4-179.1-66.6-70.6000113.4T82 I85 R86 A104 V105 Q106T82-F108 HydrophobicContact CG2-CD1 4.05Å; T82-F108 HydrophobicContact CG2-CE1 3.46Å; T82-F108 VanDerWaalsContact CG2-CE1 3.46Å; T82-F108 HydrophobicContact CG2-CZ 4.32Å; I85-F108 HydrophobicContact CB-CZ 4.48Å; I85-F108 HydrophobicContact CG2-CE2 3.85Å; I85-F108 HydrophobicContact CG2-CZ 4.05Å; R86-F108 HydrophobicContact CG-CE1 4.01Å; R86-F108 HydrophobicContact CG-CZ 3.77Å; A104-F108 WeakPolarHBondContact O-CD2 3.38Å; A104-F108 PolarHBondContact O-N 2.86Å; V105-F108 PolarHBondContact O-N 3.35Å; Q106-F108 PolarHBondContact O-N 2.79Å
109A96.7Very high94.7Very high62 Ų6259.1 Ų59.151%0.51233%0.33SS..Hα-helixtrans-70.6-33.117600000112.7V105 Q106 L107V105-A109 PolarHBondContact O-N 2.86Å; V105-A109 VanDerWaalsContact O-N 3.11Å; Q106-A109 PolarHBondContact O-N 2.76Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3.46Å
110L96Very high94.7Very high30 Ų3054.6 Ų54.616%0.15731%0.306CS..Hα-helixtrans-94.3-18.8-175-65.8172000113.8Q106 L107 G112 P113 A114 E123 L124Q106-L110 HydrophobicContact CB-CD1 4.5Å; Q106-L110 WeakPolarHBondContact O-CB 3.28Å; Q106-L110 VanDerWaalsContact O-CG 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.44Å; Q106-L110 PolarHBondContact O-N 3.26Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-L110 VanDerWaalsContact O-N 3.17Å; L110-G112 PolarHBondContact O-N 3.18Å; L110-P113 WeakPolarHBondContact O-CD 3.35Å; L110-A114 WeakPolarHBondContact O-CB 3.38Å; L110-A114 PolarHBondContact O-N 3.19Å; L110-E123 HydrophobicContact CD1-CG 3.98Å; L110-L124 HydrophobicContact CB-CB 4.4Å; L110-L124 HydrophobicContact CB-CD1 3.95Å; L110-L124 HydrophobicContact CD1-CB 4.22Å; L110-L124 HydrophobicContact CD1-CD1 4.41Å
111T94.1Very high94.6Very high15 Ų1555.7 Ų55.79%0.09232%0.316CS..Hα-helixtrans-55-52.9179.8-69.20000112.7I78 L107 A114 E115I78-T111 HydrophobicContact CG2-CG2 3.64Å; L107-T111 PolarHBondContact O-N 3.35Å; L107-T111 PolarHBondContact O-OG1 2.9Å; T111-A114 PolarHBondContact O-N 3.33Å; T111-A114 VanDerWaalsContact O-N 3.13Å; T111-E115 VanDerWaalsContact CG2-CD 3.49Å; T111-E115 HydrophobicContact CG2-CG 4.07Å; T111-E115 WeakPolarHBondContact CG2-OE1 3.2Å; T111-E115 WeakPolarHBondContact O-CG 3.32Å; T111-E115 PolarHBondContact O-N 3.14Å
112G92Very high94.6Very high41 Ų4158.7 Ų58.742%0.42333%0.332SS..Hα-helixtrans-57.8-51.4-175.400000113.6L110 A114 E115 S116L110-G112 PolarHBondContact O-N 3.18Å; G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 3.37Å; G112-E115 PolarHBondContact O-N 3.34Å; G112-S116 WeakPolarHBondContact O-CB 3.23Å; G112-S116 PolarHBondContact O-N 2.89Å
113P90.6Very high94.6Very high73 Ų7357 Ų5747%0.47433%0.329SS..Hα-helixtrans-58.3-39.1173.5-27.735.4000114.3L110 K117L110-P113 WeakPolarHBondContact O-CD 3.35Å; P113-K117 WeakPolarHBondContact O-CB 3.49Å; P113-K117 WeakPolarHBondContact O-CG 3.28Å; P113-K117 PolarHBondContact O-N 3.02Å; P113-K117 VanDerWaalsContact O-N 3.13Å
114A89.9Confident94.6Very high4 Ų456.8 Ų56.83%0.03333%0.328CS..Hα-helixtrans-68.2-44.4-179.700000112.3I78 L110 T111 G112 K117 G118 E119 L124I78-A114 HydrophobicContact CD1-CB 3.69Å; L110-A114 WeakPolarHBondContact O-CB 3.38Å; L110-A114 PolarHBondContact O-N 3.19Å; T111-A114 PolarHBondContact O-N 3.33Å; T111-A114 VanDerWaalsContact O-N 3.13Å; G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 3.37Å; A114-K117 PolarHBondContact O-N 3.1Å; A114-G118 WeakPolarHBondContact O-CA 3.24Å; A114-G118 PolarHBondContact O-N 2.97Å; A114-E119 WeakPolarHBondContact CA-O 3.43Å; A114-E119 VanDerWaalsContact CB-O 3.27Å; A114-E119 WeakPolarHBondContact CB-O 3.17Å; A114-E119 PolarHBondContact O-N 3.46Å; A114-L124 HydrophobicContact CB-CD2 3.39Å
115E90.8Very high94.6Very high76 Ų7657.8 Ų57.836%0.35533%0.332SS..Hα-helixtrans-63.2-42.7175.3-69.5178.1171.200111.5Y75 T111 G112 K117 G118Y75-E115 HydrophobicContact CD2-CG 4.01Å; T111-E115 VanDerWaalsContact CG2-CD 3.49Å; T111-E115 HydrophobicContact CG2-CG 4.07Å; T111-E115 WeakPolarHBondContact CG2-OE1 3.2Å; T111-E115 WeakPolarHBondContact O-CG 3.32Å; T111-E115 PolarHBondContact O-N 3.14Å; G112-E115 PolarHBondContact O-N 3.34Å; E115-K117 VanDerWaalsContact C-N 3.3Å; E115-K117 PolarHBondContact O-N 3Å; E115-G118 PolarHBondContact O-N 2.81Å
116S89.7Confident94.6Very high107 Ų10754.3 Ų54.375%0.74832%0.315SS*.Hα-helixtrans-65-32178.7-1800000113.4G112G112-S116 WeakPolarHBondContact O-CB 3.23Å; G112-S116 PolarHBondContact O-N 2.89Å
117K89.4Confident94.7Very high146 Ų14652.7 Ų52.764%0.63531%0.308SS*.Hα-helixtrans-92.2-19.6179.3-69.6179.9179.2-178.20113P113 A114 E115 E119P113-K117 WeakPolarHBondContact O-CB 3.49Å; P113-K117 WeakPolarHBondContact O-CG 3.28Å; P113-K117 PolarHBondContact O-N 3.02Å; P113-K117 VanDerWaalsContact O-N 3.13Å; A114-K117 PolarHBondContact O-N 3.1Å; E115-K117 VanDerWaalsContact C-N 3.3Å; E115-K117 PolarHBondContact O-N 3Å; K117-E119 VanDerWaalsContact C-N 3.33Å; K117-E119 HydrophobicContact CB-CB 4.23Å; K117-E119 HydrophobicContact CB-CG 4.43Å
118G90.7Very high94.7Very high6 Ų652.7 Ų52.76%0.06231%0.308CS..THydrogen-bonded Turntrans64.539.3-169.200000111.9I74 A114 E115I74-G118 WeakPolarHBondContact CD1-O 3.42Å; A114-G118 WeakPolarHBondContact O-CA 3.24Å; A114-G118 PolarHBondContact O-N 2.97Å; E115-G118 PolarHBondContact O-N 2.81Å
119E94.2Very high94.8Very high105 Ų10554.9 Ų54.949%0.49131%0.313SS..  trans-143.6138.6-174.7-69.1-179.1174.700111.6A114 K117A114-E119 WeakPolarHBondContact CA-O 3.43Å; A114-E119 VanDerWaalsContact CB-O 3.27Å; A114-E119 WeakPolarHBondContact CB-O 3.17Å; A114-E119 PolarHBondContact O-N 3.46Å; K117-E119 VanDerWaalsContact C-N 3.33Å; K117-E119 HydrophobicContact CB-CB 4.23Å; K117-E119 HydrophobicContact CB-CG 4.43Å
120I96.8Very high94.9Very high11 Ų1157 Ų576%0.05631%0.308CS..  trans-97.7112.2170.4-58.9176.6000107.8I74 I78 L124 L125 M128 I163 A164I74-I120 HydrophobicContact CG1-CD1 4.3Å; I74-I120 HydrophobicContact CG1-CG1 4.21Å; I74-I120 HydrophobicContact CG2-CD1 4.33Å; I74-I120 HydrophobicContact CG2-CG1 3.77Å; I78-I120 HydrophobicContact CD1-CG1 4.42Å; I120-L124 HydrophobicContact CG2-CB 4.18Å; I120-L124 HydrophobicContact CG2-CD2 4.2Å; I120-L124 HydrophobicContact CG2-CG 4.03Å; I120-L125 HydrophobicContact CG2-CB 3.89Å; I120-M128 HydrophobicContact CD1-SD 4.23Å; I120-M128 HydrophobicContact CG2-SD 4.22Å; I120-I163 HydrophobicContact CD1-CG2 4.13Å; I120-A164 HydrophobicContact CB-CB 3.73Å; I120-A164 HydrophobicContact CD1-CB 4.31Å; I120-A164 HydrophobicContact CG2-CB 3.78Å
121T96Very high95Very high55 Ų5555.5 Ų55.534%0.33730%0.3SS..  trans-69.4158177.365.10000111.1E123 L124 L125T121-E123 PolarHBondContact O-N 2.62Å; T121-E123 VanDerWaalsContact O-N 3.17Å; T121-L124 PolarHBondContact O-N 3.2Å; T121-L124 VanDerWaalsContact O-N 3.11Å; T121-L124 WeakPolarHBondContact OG1-CB 3.36Å; T121-L124 PolarHBondContact OG1-N 3.13Å; T121-L125 WeakPolarHBondContact O-CB 3.38Å; T121-L125 PolarHBondContact O-N 3.37Å
122P96.8Very high95.2Very high117 Ų11755.7 Ų55.776%0.7630%0.299SS*.Hα-helixtrans-55.3-34.1175-27.935.8000113.6G126P122-G126 PolarHBondContact O-N 3.15Å; P122-G126 VanDerWaalsContact O-N 3.07Å
123E97.2Very high95.5Very high118 Ų11857.3 Ų57.355%0.55131%0.309SS*.Hα-helixtrans-65.8-51.2175.2-176.4176.9-165.300111.6L110 T121 L125 G126 V127L110-E123 HydrophobicContact CD1-CG 3.98Å; T121-E123 PolarHBondContact O-N 2.62Å; T121-E123 VanDerWaalsContact O-N 3.17Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.32Å; E123-G126 PolarHBondContact O-N 2.96Å; E123-V127 PolarHBondContact O-N 2.66Å; E123-V127 VanDerWaalsContact O-N 3.08Å
124L97.6Very high95.9Very high1 Ų154.1 Ų54.11%0.00529%0.288CS..Hα-helixtrans-62.4-41.8177.3177.258.4000111.3I78 L107 L110 A114 I120 T121 G126 V127 M128I78-L124 HydrophobicContact CD1-CD2 4.01Å; I78-L124 HydrophobicContact CG1-CD2 4.48Å; L107-L124 HydrophobicContact CD1-CD1 3.88Å; L110-L124 HydrophobicContact CB-CB 4.4Å; L110-L124 HydrophobicContact CB-CD1 3.95Å; L110-L124 HydrophobicContact CD1-CB 4.22Å; L110-L124 HydrophobicContact CD1-CD1 4.41Å; A114-L124 HydrophobicContact CB-CD2 3.39Å; I120-L124 HydrophobicContact CG2-CB 4.18Å; I120-L124 HydrophobicContact CG2-CD2 4.2Å; I120-L124 HydrophobicContact CG2-CG 4.03Å; T121-L124 PolarHBondContact O-N 3.2Å; T121-L124 VanDerWaalsContact O-N 3.11Å; T121-L124 WeakPolarHBondContact OG1-CB 3.36Å; T121-L124 PolarHBondContact OG1-N 3.13Å; L124-G126 VanDerWaalsContact C-N 3.3Å; L124-G126 PolarHBondContact O-N 3.19Å; L124-V127 WeakPolarHBondContact O-CB 3.18Å; L124-V127 PolarHBondContact O-N 3.16Å; L124-V127 VanDerWaalsContact O-N 3.16Å; L124-M128 HydrophobicContact CD1-CG 3.78Å; L124-M128 HydrophobicContact CD1-SD 4.08Å; L124-M128 HydrophobicContact CD2-SD 4.31Å; L124-M128 HydrophobicContact CG-CG 4.06Å; L124-M128 HydrophobicContact CG-SD 3.85Å; L124-M128 WeakPolarHBondContact O-CB 3.48Å; L124-M128 VanDerWaalsContact O-CG 3.28Å; L124-M128 WeakPolarHBondContact O-CG 3.43Å; L124-M128 PolarHBondContact O-N 3.04Å
125L98.4Very high96.3Very high32 Ų3257.4 Ų57.417%0.16831%0.309CS..Hα-helixtrans-55.4-46.9174.717560.8000111I120 T121 E123 V127 M128 R129 L160 A164I120-L125 HydrophobicContact CG2-CB 3.89Å; T121-L125 WeakPolarHBondContact O-CB 3.38Å; T121-L125 PolarHBondContact O-N 3.37Å; E123-L125 VanDerWaalsContact C-N 3.34Å; E123-L125 PolarHBondContact O-N 3.32Å; L125-V127 VanDerWaalsContact C-N 3.34Å; L125-V127 PolarHBondContact O-N 3.35Å; L125-M128 PolarHBondContact O-N 2.89Å; L125-R129 HydrophobicContact CD1-CG 4.01Å; L125-R129 HydrophobicContact CG-CG 4.49Å; L125-R129 WeakPolarHBondContact O-CB 3.48Å; L125-R129 VanDerWaalsContact O-CG 3.28Å; L125-R129 WeakPolarHBondContact O-CG 3.07Å; L125-R129 PolarHBondContact O-N 3.18Å; L125-L160 HydrophobicContact CD1-CB 3.7Å; L125-A164 HydrophobicContact CB-CB 4.26Å; L125-A164 HydrophobicContact CD1-CB 3.84Å; L125-A164 HydrophobicContact CD2-CB 3.88Å; L125-A164 HydrophobicContact CG-CB 4.2Å
126G98.3Very high96.7Very high20 Ų2054 Ų5421%0.20630%0.295CS..Hα-helixtrans-59.1-44177.100000112.7P122 E123 L124 R130P122-G126 PolarHBondContact O-N 3.15Å; P122-G126 VanDerWaalsContact O-N 3.07Å; E123-G126 PolarHBondContact O-N 2.96Å; L124-G126 VanDerWaalsContact C-N 3.3Å; L124-G126 PolarHBondContact O-N 3.19Å; G126-R130 WeakPolarHBondContact O-CG 3.45Å; G126-R130 PolarHBondContact O-N 3.39Å; G126-R130 PolarHBondContact O-NH1 3.42Å
127V98.4Very high97.1Very high4 Ų449 Ų492%0.02426%0.259CS..Hα-helixtrans-62.5-51.9175.6167.20000111.2D103 Q106 L107 E123 L124 L125 R129 R130 L131D103-V127 HydrophobicContact CB-CG1 4.18Å; D103-V127 WeakPolarHBondContact O-CG1 3.34Å; Q106-V127 HydrophobicContact CB-CG1 4.42Å; Q106-V127 HydrophobicContact CB-CG2 3.93Å; L107-V127 HydrophobicContact CB-CG1 3.94Å; E123-V127 PolarHBondContact O-N 2.66Å; E123-V127 VanDerWaalsContact O-N 3.08Å; L124-V127 WeakPolarHBondContact O-CB 3.18Å; L124-V127 PolarHBondContact O-N 3.16Å; L124-V127 VanDerWaalsContact O-N 3.16Å; L125-V127 VanDerWaalsContact C-N 3.34Å; L125-V127 PolarHBondContact O-N 3.35Å; V127-R129 VanDerWaalsContact C-N 3.32Å; V127-R129 PolarHBondContact O-N 3.02Å; V127-R130 PolarHBondContact O-N 3.43Å; V127-L131 HydrophobicContact CG1-CD1 3.72Å; V127-L131 HydrophobicContact CG1-CG 4.45Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 3.48Å
128M98.7Very high97.5Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-59.6-42.8-177.8-68.4-178.875.600111.8A77 I78 L81 L107 I120 L124 L125 L131 W132 L157 L160A77-M128 HydrophobicContact CB-CE 4.48Å; I78-M128 HydrophobicContact CG1-CE 3.99Å; I78-M128 HydrophobicContact CG1-SD 4.1Å; L81-M128 HydrophobicContact CB-CE 4.44Å; L81-M128 HydrophobicContact CD2-CB 3.73Å; L81-M128 HydrophobicContact CD2-CE 4.19Å; L81-M128 HydrophobicContact CD2-CG 3.73Å; L107-M128 HydrophobicContact CD1-CG 4.04Å; I120-M128 HydrophobicContact CD1-SD 4.23Å; I120-M128 HydrophobicContact CG2-SD 4.22Å; L124-M128 HydrophobicContact CD1-CG 3.78Å; L124-M128 HydrophobicContact CD1-SD 4.08Å; L124-M128 HydrophobicContact CD2-SD 4.31Å; L124-M128 HydrophobicContact CG-CG 4.06Å; L124-M128 HydrophobicContact CG-SD 3.85Å; L124-M128 WeakPolarHBondContact O-CB 3.48Å; L124-M128 VanDerWaalsContact O-CG 3.28Å; L124-M128 WeakPolarHBondContact O-CG 3.43Å; L124-M128 PolarHBondContact O-N 3.04Å; L125-M128 PolarHBondContact O-N 2.89Å; M128-L131 PolarHBondContact O-N 2.9Å; M128-W132 VanDerWaalsContact O-CB 3.28Å; M128-W132 WeakPolarHBondContact O-CB 3.25Å; M128-W132 PolarHBondContact O-N 3.21Å; M128-L157 HydrophobicContact CE-CD2 4.21Å; M128-L160 HydrophobicContact CB-CD1 3.84Å; M128-L160 HydrophobicContact CE-CD2 3.57Å; M128-L160 HydrophobicContact SD-CD2 4.22Å
129R98.5Very high97.9Very high129 Ų12947.1 Ų47.149%0.48726%0.259SS..Hα-helixtrans-61.4-48177.2-77178.962.3171.15.2112.8L125 V127 L131 W132 A133 L160 E161L125-R129 HydrophobicContact CD1-CG 4.01Å; L125-R129 HydrophobicContact CG-CG 4.49Å; L125-R129 WeakPolarHBondContact O-CB 3.48Å; L125-R129 VanDerWaalsContact O-CG 3.28Å; L125-R129 WeakPolarHBondContact O-CG 3.07Å; L125-R129 PolarHBondContact O-N 3.18Å; V127-R129 VanDerWaalsContact C-N 3.32Å; V127-R129 PolarHBondContact O-N 3.02Å; R129-L131 VanDerWaalsContact C-N 3.33Å; R129-W132 PolarHBondContact O-N 3.42Å; R129-A133 VanDerWaalsContact O-CB 3.24Å; R129-A133 WeakPolarHBondContact O-CB 3.41Å; R129-A133 PolarHBondContact O-N 3.44Å; R129-L160 HydrophobicContact CG-CD1 4.32Å; R129-E161 WeakPolarHBondContact CD-OE1 3.34Å; R129-E161 IonicContact CZ-OE1 3.61Å; R129-E161 IonicContact NE-OE1 3.22Å; R129-E161 PolarHBondContact NE-OE1 3.37Å; R129-E161 IonicContact NH1-OE1 2.8Å; R129-E161 PolarHBondContact NH1-OE1 3.11Å; R129-E161 IonicContact NH2-OE1 3.72Å; R129-E161 PolarHBondContact NH2-OE1 3Å
130R98.7Very high98.1Very high106 Ų10642.1 Ų42.140%0.424%0.235SC..Hα-helixtrans-64.7-40.6-179.3-73.5-169.3-60.1-86.32.5111.5R100 D103 G126 V127 D134R100-R130 VanDerWaalsContact CD-O 3.26Å; R100-R130 WeakPolarHBondContact CD-O 3.49Å; D103-R130 IonicContact OD1-CZ 3.17Å; D103-R130 IonicContact OD1-NE 3.41Å; D103-R130 PolarHBondContact OD1-NE 3.26Å; D103-R130 IonicContact OD1-NH2 3.87Å; D103-R130 PolarHBondContact OD1-NH2 2.96Å; D103-R130 IonicContact OD2-CZ 2.9Å; D103-R130 IonicContact OD2-NE 2.74Å; D103-R130 PolarHBondContact OD2-NE 3.13Å; D103-R130 IonicContact OD2-NH2 3.73Å; G126-R130 WeakPolarHBondContact O-CG 3.45Å; G126-R130 PolarHBondContact O-N 3.39Å; G126-R130 PolarHBondContact O-NH1 3.42Å; V127-R130 PolarHBondContact O-N 3.43Å; R130-D134 PolarHBondContact O-N 3.04Å
131L98.7Very high98.2Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-66-47.8176-72.5172.3000111.7L81 I85 F95 R100 D103 A104 L107 V127 M128 R129 A133 D134 A137L81-L131 HydrophobicContact CD1-CB 4.29Å; L81-L131 HydrophobicContact CD2-CB 4.18Å; L81-L131 HydrophobicContact CD2-CD1 4.29Å; I85-L131 HydrophobicContact CD1-CB 4.25Å; I85-L131 HydrophobicContact CD1-CD1 4.46Å; I85-L131 HydrophobicContact CD1-CD2 4.05Å; I85-L131 HydrophobicContact CG1-CD1 4.31Å; F95-L131 HydrophobicContact CE1-CD2 3.83Å; F95-L131 HydrophobicContact CZ-CD2 3.95Å; R100-L131 HydrophobicContact CB-CD2 4.06Å; D103-L131 HydrophobicContact CB-CD1 4.27Å; D103-L131 HydrophobicContact CB-CD2 3.83Å; D103-L131 HydrophobicContact CB-CG 3.85Å; A104-L131 HydrophobicContact CB-CD2 4.31Å; L107-L131 HydrophobicContact CB-CD1 3.85Å; L107-L131 HydrophobicContact CD2-CD1 3.86Å; L107-L131 HydrophobicContact CG-CD1 4.34Å; V127-L131 HydrophobicContact CG1-CD1 3.72Å; V127-L131 HydrophobicContact CG1-CG 4.45Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 3.48Å; M128-L131 PolarHBondContact O-N 2.9Å; R129-L131 VanDerWaalsContact C-N 3.33Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 2.82Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 2.99Å; L131-A137 WeakPolarHBondContact O-CB 3.44Å
132W98.7Very high98.2Very high18 Ų1845.3 Ų45.37%0.06826%0.255CS..Hα-helixtrans-65.7-36.5-179-178.3-126.9000112.5L81 I84 M128 R129 D134 Q138 F141 L157 N158L81-W132 HydrophobicContact CD1-CB 4.37Å; L81-W132 HydrophobicContact CD1-CE3 4.47Å; I84-W132 HydrophobicContact CD1-CE3 4.23Å; I84-W132 HydrophobicContact CD1-CH2 4.49Å; I84-W132 HydrophobicContact CD1-CZ3 3.68Å; M128-W132 VanDerWaalsContact O-CB 3.28Å; M128-W132 WeakPolarHBondContact O-CB 3.25Å; M128-W132 PolarHBondContact O-N 3.21Å; R129-W132 PolarHBondContact O-N 3.42Å; W132-D134 VanDerWaalsContact C-N 3.25Å; W132-D134 PolarHBondContact O-N 3.41Å; W132-Q138 VanDerWaalsContact CH2-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.27Å; W132-Q138 PolarHBondContact O-NE2 3.21Å; W132-F141 HydrophobicContact CH2-CB 4.02Å; W132-F141 AromaticContact CH2-CD1 3.76Å; W132-F141 HydrophobicContact CH2-CD1 3.76Å; W132-F141 AromaticContact CH2-CD2 3.79Å; W132-F141 HydrophobicContact CH2-CD2 3.79Å; W132-F141 HydrophobicContact CH2-CE1 4.19Å; W132-F141 HydrophobicContact CH2-CE2 4.23Å; W132-F141 AromaticContact CH2-CG 3.55Å; W132-F141 HydrophobicContact CH2-CG 3.55Å; W132-F141 HydrophobicContact CH2-CZ 4.42Å; W132-F141 HydrophobicContact CZ3-CB 3.88Å; W132-F141 HydrophobicContact CZ3-CD1 4.47Å; W132-F141 HydrophobicContact CZ3-CD2 4.12Å; W132-F141 AromaticContact CZ3-CG 3.89Å; W132-F141 HydrophobicContact CZ3-CG 3.89Å; W132-L157 HydrophobicContact CD2-CB 3.69Å; W132-L157 HydrophobicContact CD2-CD1 3.89Å; W132-L157 HydrophobicContact CD2-CG 4.38Å; W132-L157 VanDerWaalsContact CE2-CB 3.49Å; W132-L157 HydrophobicContact CE3-CB 4.37Å; W132-L157 HydrophobicContact CE3-CD1 3.69Å; W132-L157 HydrophobicContact CG-CB 3.87Å; W132-L157 HydrophobicContact CH2-CD1 4.2Å; W132-L157 HydrophobicContact CZ2-CB 4.01Å; W132-L157 HydrophobicContact CZ2-CD1 4.36Å; W132-L157 HydrophobicContact CZ3-CD1 3.89Å; W132-L157 PolarHBondContact NE1-O 3.48Å; W132-N158 PolarHBondContact NE1-OD1 3.06Å
133A98.5Very high98.2Very high76 Ų7643.9 Ų43.963%0.62823%0.234SC*.THydrogen-bonded Turntrans-74.5-10.3176.900000114R129 L131 P135R129-A133 VanDerWaalsContact O-CB 3.24Å; R129-A133 WeakPolarHBondContact O-CB 3.41Å; R129-A133 PolarHBondContact O-N 3.44Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 2.82Å; A133-P135 WeakPolarHBondContact O-CD 3.45Å
134D98.6Very high98.1Very high6 Ų640 Ų403%0.03222%0.22CC..  trans-68.9129.2-179-174-96.3000111.1F95 H96 N97 R100 R130 L131 W132 G136 A137 Q138F95-D134 HydrophobicContact CD1-CB 4.44Å; H96-D134 PolarHBondContact N-OD1 2.79Å; H96-D134 PolarHBondContact N-OD2 3.07Å; N97-D134 PolarHBondContact N-OD2 2.84Å; R100-D134 HydrophobicContact CG-CB 4.04Å; R130-D134 PolarHBondContact O-N 3.04Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 2.99Å; W132-D134 VanDerWaalsContact C-N 3.25Å; W132-D134 PolarHBondContact O-N 3.41Å; D134-G136 PolarHBondContact O-N 2.99Å; D134-G136 VanDerWaalsContact OD1-CA 3.27Å; D134-G136 WeakPolarHBondContact OD1-CA 3.37Å; D134-G136 PolarHBondContact OD1-N 2.63Å; D134-A137 HydrophobicContact CB-CB 4.22Å; D134-A137 WeakPolarHBondContact O-CB 3.2Å; D134-A137 PolarHBondContact O-N 2.8Å; D134-A137 PolarHBondContact OD1-N 3.49Å; D134-Q138 PolarHBondContact O-N 3.09Å
135P98.6Very high98Very high72 Ų7241.8 Ų41.847%0.46823%0.233SC..Hα-helixtrans-55.7-32.4176.9-28.432.9000114.8H96 A133 Q138 A139H96-P135 HydrophobicContact CB-CB 3.88Å; H96-P135 HydrophobicContact CB-CG 3.93Å; A133-P135 WeakPolarHBondContact O-CD 3.45Å; P135-Q138 PolarHBondContact O-N 3.37Å; P135-A139 VanDerWaalsContact O-CB 3.3Å; P135-A139 WeakPolarHBondContact O-CB 3.31Å; P135-A139 PolarHBondContact O-N 2.97Å
136G98.4Very high97.8Very high6 Ų645 Ų456%0.06225%0.247CC..Hα-helixtrans-67-42174.700000112.1I93 D134 A139 C140I93-G136 WeakPolarHBondContact CG2-O 3.4Å; D134-G136 PolarHBondContact O-N 2.99Å; D134-G136 VanDerWaalsContact OD1-CA 3.27Å; D134-G136 WeakPolarHBondContact OD1-CA 3.37Å; D134-G136 PolarHBondContact OD1-N 2.63Å; G136-A139 PolarHBondContact O-N 3.48Å; G136-C140 WeakPolarHBondContact O-CB 3.39Å; G136-C140 PolarHBondContact O-N 3.31Å
137A98.4Very high97.7Very high0 Ų045.5 Ų45.50%024%0.243CC..Hα-helixtrans-65.1-41.7173.800000112I84 L88 L131 D134 C140 F141I84-A137 HydrophobicContact CG2-CB 4.43Å; L88-A137 HydrophobicContact CD1-CB 4.42Å; L131-A137 WeakPolarHBondContact O-CB 3.44Å; D134-A137 HydrophobicContact CB-CB 4.22Å; D134-A137 WeakPolarHBondContact O-CB 3.2Å; D134-A137 PolarHBondContact O-N 2.8Å; D134-A137 PolarHBondContact OD1-N 3.49Å; A137-C140 WeakPolarHBondContact O-CB 3.3Å; A137-C140 PolarHBondContact O-N 3.33Å; A137-F141 PolarHBondContact O-N 3.49Å
138Q98.6Very high97.5Very high71 Ų7147 Ų4733%0.33225%0.249SC..Hα-helixtrans-63.7-40174.3-71-61.6-4400112.3W132 D134 P135 C140 F141 S142W132-Q138 VanDerWaalsContact CH2-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.27Å; W132-Q138 PolarHBondContact O-NE2 3.21Å; D134-Q138 PolarHBondContact O-N 3.09Å; P135-Q138 PolarHBondContact O-N 3.37Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.23Å; Q138-F141 WeakPolarHBondContact O-CB 3.42Å; Q138-F141 PolarHBondContact O-N 2.89Å; Q138-S142 PolarHBondContact O-N 3.15Å
139A98.2Very high97.4Very high43 Ų4347.8 Ų47.836%0.35525%0.254SS..Hα-helixtrans-61.9-41.6173.500000111I93 P135 G136 S142I93-A139 HydrophobicContact CG2-CB 4.48Å; P135-A139 VanDerWaalsContact O-CB 3.3Å; P135-A139 WeakPolarHBondContact O-CB 3.31Å; P135-A139 PolarHBondContact O-N 2.97Å; G136-A139 PolarHBondContact O-N 3.48Å; A139-S142 PolarHBondContact O-N 3.24Å; A139-S142 PolarHBondContact O-OG 3.1Å
140C98.4Very high97.2Very high0 Ų043.3 Ų43.30%024%0.238CC..Hα-helixtrans-64.1-40.6174.1-169.60000112.5I84 A87 L88 I93 G136 A137 Q138 S142 R143 Y147I84-C140 HydrophobicContact CG2-CB 4.23Å; A87-C140 VanDerWaalsContact CB-SG 3.58Å; L88-C140 HydrophobicContact CD1-CB 4.46Å; L88-C140 HydrophobicContact CG-CB 4.01Å; I93-C140 HydrophobicContact CD1-CB 3.77Å; G136-C140 WeakPolarHBondContact O-CB 3.39Å; G136-C140 PolarHBondContact O-N 3.31Å; A137-C140 WeakPolarHBondContact O-CB 3.3Å; A137-C140 PolarHBondContact O-N 3.33Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.23Å; C140-S142 VanDerWaalsContact C-N 3.33Å; C140-S142 PolarHBondContact O-N 3.48Å; C140-R143 CarbonylContact O-C 3.55Å; C140-R143 PolarHBondContact O-N 2.78Å; C140-R143 VanDerWaalsContact O-N 3.12Å; C140-Y147 WeakPolarHBondContact O-CE1 3.45Å; C140-Y147 PolarHBondContact O-OH 2.74Å
141F98.2Very high97Very high49 Ų4941.6 Ų41.622%0.21524%0.237CC..Hα-helixtrans-61.4-38.7175.5176-107.2000112.8I84 W132 A137 Q138 R143 S144 Y147 L149 A153 A154I84-F141 HydrophobicContact CD1-CD2 4.01Å; W132-F141 HydrophobicContact CH2-CB 4.02Å; W132-F141 AromaticContact CH2-CD1 3.76Å; W132-F141 HydrophobicContact CH2-CD1 3.76Å; W132-F141 AromaticContact CH2-CD2 3.79Å; W132-F141 HydrophobicContact CH2-CD2 3.79Å; W132-F141 HydrophobicContact CH2-CE1 4.19Å; W132-F141 HydrophobicContact CH2-CE2 4.23Å; W132-F141 AromaticContact CH2-CG 3.55Å; W132-F141 HydrophobicContact CH2-CG 3.55Å; W132-F141 HydrophobicContact CH2-CZ 4.42Å; W132-F141 HydrophobicContact CZ3-CB 3.88Å; W132-F141 HydrophobicContact CZ3-CD1 4.47Å; W132-F141 HydrophobicContact CZ3-CD2 4.12Å; W132-F141 AromaticContact CZ3-CG 3.89Å; W132-F141 HydrophobicContact CZ3-CG 3.89Å; A137-F141 PolarHBondContact O-N 3.49Å; Q138-F141 WeakPolarHBondContact O-CB 3.42Å; Q138-F141 PolarHBondContact O-N 2.89Å; F141-R143 PolarHBondContact O-N 2.9Å; F141-R143 VanDerWaalsContact O-N 3.12Å; F141-S144 WeakPolarHBondContact O-CB 3.49Å; F141-S144 PolarHBondContact O-N 2.98Å; F141-S144 PolarHBondContact O-OG 3Å; F141-Y147 WeakPolarHBondContact CA-OH 3.28Å; F141-L149 HydrophobicContact CD2-CD2 3.44Å; F141-L149 VanDerWaalsContact CD2-CD2 3.44Å; F141-L149 HydrophobicContact CE2-CD2 3.55Å; F141-A153 HydrophobicContact CE2-CB 4.23Å; F141-A154 HydrophobicContact CE1-CB 4.18Å; F141-A154 HydrophobicContact CE2-CB 4.37Å; F141-A154 HydrophobicContact CZ-CB 3.66Å
142S96.2Very high96.9Very high84 Ų8441.7 Ų41.759%0.58724%0.237SC*.Hα-helixtrans-64.4-17176.774.50000113.8Q138 A139 C140Q138-S142 PolarHBondContact O-N 3.15Å; A139-S142 PolarHBondContact O-N 3.24Å; A139-S142 PolarHBondContact O-OG 3.1Å; C140-S142 VanDerWaalsContact C-N 3.33Å; C140-S142 PolarHBondContact O-N 3.48Å
143R96.1Very high96.9Very high86 Ų8640.9 Ų40.933%0.32523%0.234SC..THydrogen-bonded Turntrans-102.422175.2-65.1174.765-170.1-1.8112.7L91 C140 F141 S145 E146 Y147L91-R143 HydrophobicContact CD1-CB 3.96Å; C140-R143 CarbonylContact O-C 3.55Å; C140-R143 PolarHBondContact O-N 2.78Å; C140-R143 VanDerWaalsContact O-N 3.12Å; F141-R143 PolarHBondContact O-N 2.9Å; F141-R143 VanDerWaalsContact O-N 3.12Å; R143-S145 PolarHBondContact O-N 2.71Å; R143-E146 WeakPolarHBondContact CB-OE1 3.36Å; R143-E146 IonicContact CZ-OE1 2.78Å; R143-E146 IonicContact CZ-OE2 3.58Å; R143-E146 IonicContact NE-OE1 2.66Å; R143-E146 PolarHBondContact NE-OE1 3.47Å; R143-E146 IonicContact NE-OE2 3.37Å; R143-E146 IonicContact NH2-OE1 2.74Å; R143-E146 PolarHBondContact NH2-OE1 3.44Å; R143-E146 IonicContact NH2-OE2 2.71Å; R143-E146 PolarHBondContact NH2-OE2 3.43Å; R143-E146 WeakPolarHBondContact O-CB 3.46Å; R143-E146 PolarHBondContact O-N 2.87Å; R143-Y147 WeakPolarHBondContact O-CE1 3.38Å
144S96.2Very high96.8Very high38 Ų3838.5 Ų38.527%0.26622%0.215SC..THydrogen-bonded Turntrans-62-8.7-177.149.30000115.6F141 E146F141-S144 WeakPolarHBondContact O-CB 3.49Å; F141-S144 PolarHBondContact O-N 2.98Å; F141-S144 PolarHBondContact O-OG 3Å; S144-E146 VanDerWaalsContact C-N 3.3Å
145S94.3Very high96.8Very high38 Ų3840.8 Ų40.827%0.26622%0.223SC..THydrogen-bonded Turntrans-76.4-16.5168.955.30000113.7R143 D232R143-S145 PolarHBondContact O-N 2.71Å; S145-D232 WeakPolarHBondContact CB-OD2 3.21Å
146E95.3Very high96.8Very high99 Ų9937.3 Ų37.346%0.46320%0.201SC..THydrogen-bonded Turntrans-85.6-9.4-179.7-61.3-179.8-129.400113.3L91 R143 S144L91-E146 HydrophobicContact CD1-CB 4.47Å; L91-E146 HydrophobicContact CD2-CB 4.06Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.43Å; R143-E146 WeakPolarHBondContact CB-OE1 3.36Å; R143-E146 IonicContact CZ-OE1 2.78Å; R143-E146 IonicContact CZ-OE2 3.58Å; R143-E146 IonicContact NE-OE1 2.66Å; R143-E146 PolarHBondContact NE-OE1 3.47Å; R143-E146 IonicContact NE-OE2 3.37Å; R143-E146 IonicContact NH2-OE1 2.74Å; R143-E146 PolarHBondContact NH2-OE1 3.44Å; R143-E146 IonicContact NH2-OE2 2.71Å; R143-E146 PolarHBondContact NH2-OE2 3.43Å; R143-E146 WeakPolarHBondContact O-CB 3.46Å; R143-E146 PolarHBondContact O-N 2.87Å; S144-E146 VanDerWaalsContact C-N 3.3Å
147Y96.1Very high96.8Very high31 Ų3137.2 Ų37.212%0.12220%0.199CC..THydrogen-bonded Turntrans-143.4172.9175.659.1-82.3000110.4I84 A87 L91 C140 F141 R143 L149I84-Y147 HydrophobicContact CG1-CE2 4.3Å; A87-Y147 HydrophobicContact CB-CD1 3.58Å; A87-Y147 HydrophobicContact CB-CD2 3.71Å; A87-Y147 HydrophobicContact CB-CE1 3.66Å; A87-Y147 HydrophobicContact CB-CE2 3.8Å; A87-Y147 HydrophobicContact CB-CG 3.6Å; L91-Y147 HydrophobicContact CD1-CD1 4Å; L91-Y147 HydrophobicContact CD1-CE1 4Å; C140-Y147 WeakPolarHBondContact O-CE1 3.45Å; C140-Y147 PolarHBondContact O-OH 2.74Å; F141-Y147 WeakPolarHBondContact CA-OH 3.28Å; R143-Y147 WeakPolarHBondContact O-CE1 3.38Å; Y147-L149 HydrophobicContact CD2-CB 4.17Å; Y147-L149 HydrophobicContact CE2-CB 3.79Å; Y147-L149 HydrophobicContact CE2-CD1 4.46Å; Y147-L149 HydrophobicContact CE2-CD2 4.19Å; Y147-L149 HydrophobicContact CE2-CG 4.38Å; Y147-L149 PolarHBondContact O-N 2.81Å
148H94Very high96.8Very high35 Ų3542.3 Ų42.316%0.16223%0.226CC..THydrogen-bonded Turntrans-87.797.2-178.8-64.8-49.7000111.1R83 K234 L235 Y236 N239R83-H148 WeakPolarHBondContact CD-O 3.38Å; R83-H148 PolarHBondContact NH1-O 2.88Å; H148-K234 PolarHBondContact CE1-O 3.27Å; H148-L235 PolarHBondContact CE1-O 2.7Å; H148-L235 PolarHBondContact NE2-O 2.67Å; H148-Y236 HydrophobicContact CB-CD2 3.97Å; H148-Y236 HydrophobicContact CB-CE2 4.49Å; H148-Y236 AromaticContact CD2-CD2 3.49Å; H148-Y236 VanDerWaalsContact CD2-CD2 3.49Å; H148-Y236 WeakPolarHBondContact CD2-CD2 3.44Å; H148-Y236 AromaticContact CG-CD2 3.71Å; H148-Y236 WeakPolarHBondContact NE2-CA 3.03Å; H148-N239 PolarHBondContact NE2-OD1 2.91Å
149L96.6Very high96.8Very high17 Ų1741.8 Ų41.89%0.08923%0.226CC..  trans-117.1141.2168.9-16964.4000110.2S80 R83 I84 F141 Y147 A153S80-L149 WeakPolarHBondContact O-CD1 3.44Å; R83-L149 HydrophobicContact CB-CD1 4.13Å; I84-L149 HydrophobicContact CD1-CD1 4.25Å; I84-L149 HydrophobicContact CD1-CD2 3.97Å; I84-L149 HydrophobicContact CG1-CD1 3.92Å; I84-L149 HydrophobicContact CG1-CD2 3.84Å; F141-L149 HydrophobicContact CD2-CD2 3.44Å; F141-L149 VanDerWaalsContact CD2-CD2 3.44Å; F141-L149 HydrophobicContact CE2-CD2 3.55Å; Y147-L149 HydrophobicContact CD2-CB 4.17Å; Y147-L149 HydrophobicContact CE2-CB 3.79Å; Y147-L149 HydrophobicContact CE2-CD1 4.46Å; Y147-L149 HydrophobicContact CE2-CD2 4.19Å; Y147-L149 HydrophobicContact CE2-CG 4.38Å; Y147-L149 PolarHBondContact O-N 2.81Å; L149-A153 HydrophobicContact CD1-CB 3.89Å; L149-A153 HydrophobicContact CD2-CB 3.88Å; L149-A153 HydrophobicContact CG-CB 3.82Å
150E94.9Very high96.8Very high35 Ų3539.9 Ų39.916%0.16421%0.209CC..  trans-80148.7174.6-57.5-61.6172.100110.3N43 N152 A153 R179N43-E150 VanDerWaalsContact CG-OE2 3.32Å; N43-E150 PolarHBondContact ND2-OE2 3.39Å; N43-E150 PolarHBondContact OD1-OE2 3.46Å; E150-N152 WeakPolarHBondContact CB-OD1 3.49Å; E150-N152 PolarHBondContact O-N 3.08Å; E150-A153 VanDerWaalsContact O-CB 3.3Å; E150-A153 WeakPolarHBondContact O-CB 3.32Å; E150-A153 PolarHBondContact O-N 3.12Å; E150-R179 HydrophobicContact CG-CG 4.5Å
151D94.1Very high96.8Very high70 Ų7043.9 Ų43.937%0.37423%0.228SC..THydrogen-bonded Turntrans-70.5-13.1-176.656.34.5000114.2A153 K271 L274D151-A153 VanDerWaalsContact C-N 3.29Å; D151-K271 VanDerWaalsContact OD2-CD 3.31Å; D151-K271 WeakPolarHBondContact OD2-CD 3.46Å; D151-K271 VanDerWaalsContact OD2-CE 3.3Å; D151-K271 WeakPolarHBondContact OD2-CE 3.36Å; D151-K271 IonicContact OD2-NZ 3.54Å; D151-K271 PolarHBondContact OD2-NZ 3.33Å; D151-L274 HydrophobicContact CB-CD1 3.7Å; D151-L274 WeakPolarHBondContact OD2-CD1 3.24Å
152N96.3Very high96.8Very high2 Ų244.6 Ų44.61%0.01123%0.229CC..THydrogen-bonded Turntrans-80.6-5.7173.663.720.3000113.8E150 A154 Y155 Y156 R177E150-N152 WeakPolarHBondContact CB-OD1 3.49Å; E150-N152 PolarHBondContact O-N 3.08Å; N152-A154 PolarHBondContact O-N 3.01Å; N152-Y155 WeakPolarHBondContact O-CB 3.32Å; N152-Y155 PolarHBondContact O-N 3.32Å; N152-Y156 HydrophobicContact CB-CD2 4.1Å; N152-Y156 HydrophobicContact CB-CE2 3.75Å; N152-Y156 WeakPolarHBondContact O-CD2 3.2Å; N152-Y156 PolarHBondContact O-N 3.19Å; N152-R177 HydrophobicContact CB-CB 4.22Å; N152-R177 WeakPolarHBondContact CB-O 3.35Å; N152-R177 PolarHBondContact ND2-O 3.29Å
153A98.2Very high96.8Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-54.6-55.5-175.800000112.4F141 L149 E150 D151 Y155 Y156 L157F141-A153 HydrophobicContact CE2-CB 4.23Å; L149-A153 HydrophobicContact CD1-CB 3.89Å; L149-A153 HydrophobicContact CD2-CB 3.88Å; L149-A153 HydrophobicContact CG-CB 3.82Å; E150-A153 VanDerWaalsContact O-CB 3.3Å; E150-A153 WeakPolarHBondContact O-CB 3.32Å; E150-A153 PolarHBondContact O-N 3.12Å; D151-A153 VanDerWaalsContact C-N 3.29Å; A153-Y155 VanDerWaalsContact C-N 3.29Å; A153-Y155 PolarHBondContact O-N 3.07Å; A153-Y156 PolarHBondContact O-N 3.27Å; A153-L157 HydrophobicContact CB-CD1 4.49Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 3.4Å
154A97.7Very high96.9Very high26 Ų2637.5 Ų37.522%0.21519%0.194CC..Hα-helixtrans-63-35.6-179.900000112.7F141 N152 Y156 N158F141-A154 HydrophobicContact CE1-CB 4.18Å; F141-A154 HydrophobicContact CE2-CB 4.37Å; F141-A154 HydrophobicContact CZ-CB 3.66Å; N152-A154 PolarHBondContact O-N 3.01Å; A154-Y156 PolarHBondContact O-N 2.88Å; A154-N158 WeakPolarHBondContact O-CB 3.42Å; A154-N158 PolarHBondContact O-N 2.8Å; A154-N158 PolarHBondContact O-ND2 3.18Å; A154-N158 VanDerWaalsContact O-ND2 3.09Å
155Y98.2Very high96.9Very high54 Ų5437.1 Ų37.121%0.21219%0.193CC..Hα-helixtrans-59.6-47.2178.8172.5-96.4000111.5N152 A153 E173 D174 R177N152-Y155 WeakPolarHBondContact O-CB 3.32Å; N152-Y155 PolarHBondContact O-N 3.32Å; A153-Y155 VanDerWaalsContact C-N 3.29Å; A153-Y155 PolarHBondContact O-N 3.07Å; Y155-E173 HydrophobicContact CE2-CG 3.83Å; Y155-E173 WeakPolarHBondContact OH-CG 3.37Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.31Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.38Å; Y155-D174 PolarHBondContact OH-N 2.68Å; Y155-D174 PolarHBondContact OH-OD1 3.36Å; Y155-R177 HydrophobicContact CD1-CB 4.29Å; Y155-R177 HydrophobicContact CD1-CG 4.44Å; Y155-R177 VanDerWaalsContact CD2-CD 3.46Å; Y155-R177 HydrophobicContact CE1-CB 4.44Å
156Y98.4Very high96.9Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-77.6-42.4179.1-63.4-51.7000113I73 N76 A77 N152 A153 A154 N158 D159 L160 I163 D174 R177 S178I73-Y156 HydrophobicContact CG1-CE1 4.39Å; I73-Y156 HydrophobicContact CG2-CD1 3.9Å; I73-Y156 HydrophobicContact CG2-CE1 3.55Å; N76-Y156 HydrophobicContact CB-CD2 4.15Å; N76-Y156 HydrophobicContact CB-CE2 3.85Å; A77-Y156 HydrophobicContact CB-CG 4.5Å; N152-Y156 HydrophobicContact CB-CD2 4.1Å; N152-Y156 HydrophobicContact CB-CE2 3.75Å; N152-Y156 WeakPolarHBondContact O-CD2 3.2Å; N152-Y156 PolarHBondContact O-N 3.19Å; A153-Y156 PolarHBondContact O-N 3.27Å; A154-Y156 PolarHBondContact O-N 2.88Å; Y156-N158 VanDerWaalsContact C-N 3.26Å; Y156-N158 PolarHBondContact O-N 3.45Å; Y156-D159 CarbonylContact O-C 3.57Å; Y156-D159 PolarHBondContact O-N 3.41Å; Y156-D159 VanDerWaalsContact O-N 3.1Å; Y156-L160 PolarHBondContact O-N 3.29Å; Y156-I163 HydrophobicContact CD1-CD1 3.59Å; Y156-I163 HydrophobicContact CG-CD1 4.11Å; Y156-I163 WeakPolarHBondContact O-CD1 3.43Å; Y156-D174 HydrophobicContact CE1-CB 4.33Å; Y156-D174 PolarHBondContact OH-O 3.01Å; Y156-R177 VanDerWaalsContact OH-C 3.28Å; Y156-S178 WeakPolarHBondContact OH-CA 3Å; Y156-S178 PolarHBondContact OH-N 3.41Å
157L98.6Very high96.9Very high3 Ų341.7 Ų41.72%0.01623%0.232CC..Hα-helixtrans-68.5-26.1-175.8-64.5177000112.9L81 I84 M128 W132 A153 D159 L160L81-L157 HydrophobicContact CB-CD1 4.39Å; L81-L157 HydrophobicContact CB-CD2 3.87Å; I84-L157 HydrophobicContact CD1-CD1 3.77Å; M128-L157 HydrophobicContact CE-CD2 4.21Å; W132-L157 HydrophobicContact CD2-CB 3.69Å; W132-L157 HydrophobicContact CD2-CD1 3.89Å; W132-L157 HydrophobicContact CD2-CG 4.38Å; W132-L157 VanDerWaalsContact CE2-CB 3.49Å; W132-L157 HydrophobicContact CE3-CB 4.37Å; W132-L157 HydrophobicContact CE3-CD1 3.69Å; W132-L157 HydrophobicContact CG-CB 3.87Å; W132-L157 HydrophobicContact CH2-CD1 4.2Å; W132-L157 HydrophobicContact CZ2-CB 4.01Å; W132-L157 HydrophobicContact CZ2-CD1 4.36Å; W132-L157 HydrophobicContact CZ3-CD1 3.89Å; W132-L157 PolarHBondContact NE1-O 3.48Å; A153-L157 HydrophobicContact CB-CD1 4.49Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.32Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 3.4Å; L157-D159 VanDerWaalsContact C-N 3.25Å; L157-D159 PolarHBondContact O-N 3.47Å; L157-L160 HydrophobicContact CD2-CD1 4.43Å; L157-L160 HydrophobicContact CD2-CD2 4.23Å; L157-L160 WeakPolarHBondContact O-CD1 3.45Å; L157-L160 WeakPolarHBondContact O-CG 3.34Å
158N98.4Very high97Very high108 Ų10840.8 Ų40.858%0.57823%0.228SC*.THydrogen-bonded Turntrans-77.3-8.4174.7-69.7-18000114W132 A154 Y156W132-N158 PolarHBondContact NE1-OD1 3.06Å; A154-N158 WeakPolarHBondContact O-CB 3.42Å; A154-N158 PolarHBondContact O-N 2.8Å; A154-N158 PolarHBondContact O-ND2 3.18Å; A154-N158 VanDerWaalsContact O-ND2 3.09Å; Y156-N158 VanDerWaalsContact C-N 3.26Å; Y156-N158 PolarHBondContact O-N 3.45Å
159D98Very high97.1Very high60 Ų6042.8 Ų42.832%0.32124%0.239SC..THydrogen-bonded Turntrans-135.636.3-174-155.1-2.8000111.6Y156 L157 E161 R162 I163Y156-D159 CarbonylContact O-C 3.57Å; Y156-D159 PolarHBondContact O-N 3.41Å; Y156-D159 VanDerWaalsContact O-N 3.1Å; L157-D159 VanDerWaalsContact C-N 3.25Å; L157-D159 PolarHBondContact O-N 3.47Å; D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 3.49Å; D159-R162 PolarHBondContact O-N 2.89Å; D159-R162 WeakPolarHBondContact OD1-CB 3.41Å; D159-R162 IonicContact OD1-NE 2.86Å; D159-R162 IonicContact OD2-CZ 3.5Å; D159-R162 IonicContact OD2-NE 3.5Å; D159-R162 PolarHBondContact OD2-NE 3.44Å; D159-R162 IonicContact OD2-NH2 2.79Å; D159-R162 PolarHBondContact OD2-NH2 3.4Å; D159-I163 WeakPolarHBondContact O-CG1 3.5Å; D159-I163 PolarHBondContact O-N 2.99Å
160L98.4Very high97.2Very high2 Ų242.1 Ų42.11%0.0124%0.236CC..Hα-helixtrans-59.7-35.6-176.4-77.5168.7000112.4L125 M128 R129 Y156 L157 R162 I163 A164L125-L160 HydrophobicContact CD1-CB 3.7Å; M128-L160 HydrophobicContact CB-CD1 3.84Å; M128-L160 HydrophobicContact CE-CD2 3.57Å; M128-L160 HydrophobicContact SD-CD2 4.22Å; R129-L160 HydrophobicContact CG-CD1 4.32Å; Y156-L160 PolarHBondContact O-N 3.29Å; L157-L160 HydrophobicContact CD2-CD1 4.43Å; L157-L160 HydrophobicContact CD2-CD2 4.23Å; L157-L160 WeakPolarHBondContact O-CD1 3.45Å; L157-L160 WeakPolarHBondContact O-CG 3.34Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 2.85Å; L160-I163 PolarHBondContact O-N 2.98Å; L160-A164 WeakPolarHBondContact O-CB 3.45Å; L160-A164 PolarHBondContact O-N 3.13Å
161E98Very high97.4Very high85 Ų8543.4 Ų43.440%0.39725%0.246SC..Hα-helixtrans-60-44.1177.6-73.879.4179.300112R129 D159 A165R129-E161 WeakPolarHBondContact CD-OE1 3.34Å; R129-E161 IonicContact CZ-OE1 3.61Å; R129-E161 IonicContact NE-OE1 3.22Å; R129-E161 PolarHBondContact NE-OE1 3.37Å; R129-E161 IonicContact NH1-OE1 2.8Å; R129-E161 PolarHBondContact NH1-OE1 3.11Å; R129-E161 IonicContact NH2-OE1 3.72Å; R129-E161 PolarHBondContact NH2-OE1 3Å; D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 3.49Å; E161-A165 PolarHBondContact O-N 3.38Å
162R98.2Very high97.5Very high64 Ų6442.9 Ų42.924%0.24225%0.245CC..Hα-helixtrans-66.9-43.8177.7-178.5-1806083.91.9111D159 L160 A164 A165 Y168 D174D159-R162 PolarHBondContact O-N 2.89Å; D159-R162 WeakPolarHBondContact OD1-CB 3.41Å; D159-R162 IonicContact OD1-NE 2.86Å; D159-R162 IonicContact OD2-CZ 3.5Å; D159-R162 IonicContact OD2-NE 3.5Å; D159-R162 PolarHBondContact OD2-NE 3.44Å; D159-R162 IonicContact OD2-NH2 2.79Å; D159-R162 PolarHBondContact OD2-NH2 3.4Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 2.85Å; R162-A164 VanDerWaalsContact C-N 3.33Å; R162-A165 WeakPolarHBondContact O-CB 3.49Å; R162-A165 PolarHBondContact O-N 3.36Å; R162-Y168 HydrophobicContact CG-CD2 4.33Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.25Å; R162-Y168 WeakPolarHBondContact O-CB 3.37Å; R162-Y168 WeakPolarHBondContact O-CD2 3.43Å; R162-D174 IonicContact CZ-OD1 3.44Å; R162-D174 IonicContact CZ-OD2 3.6Å; R162-D174 VanDerWaalsContact NH1-CG 3.34Å; R162-D174 IonicContact NH1-OD1 3.29Å; R162-D174 PolarHBondContact NH1-OD1 2.83Å; R162-D174 VanDerWaalsContact NH1-OD1 3.13Å; R162-D174 IonicContact NH1-OD2 3.56Å; R162-D174 PolarHBondContact NH1-OD2 2.8Å; R162-D174 IonicContact NH2-OD1 2.72Å; R162-D174 PolarHBondContact NH2-OD1 2.99Å; R162-D174 IonicContact NH2-OD2 2.73Å
163I97.5Very high97.6Very high0 Ų045.7 Ų45.70%026%0.258CS..Hα-helixtrans-70.5-32.2-176.7-63.3164.7000111.6I73 I74 I120 Y156 D159 L160 Y168I73-I163 HydrophobicContact CG2-CG2 4.17Å; I74-I163 HydrophobicContact CG1-CG2 3.93Å; I120-I163 HydrophobicContact CD1-CG2 4.13Å; Y156-I163 HydrophobicContact CD1-CD1 3.59Å; Y156-I163 HydrophobicContact CG-CD1 4.11Å; Y156-I163 WeakPolarHBondContact O-CD1 3.43Å; D159-I163 WeakPolarHBondContact O-CG1 3.5Å; D159-I163 PolarHBondContact O-N 2.99Å; L160-I163 PolarHBondContact O-N 2.98Å; I163-Y168 HydrophobicContact CB-CE1 4.38Å; I163-Y168 HydrophobicContact CG1-CE1 4.46Å; I163-Y168 HydrophobicContact CG2-CD1 4.37Å; I163-Y168 HydrophobicContact CG2-CE1 4.04Å; I163-Y168 WeakPolarHBondContact O-CD1 3.2Å
164A97.2Very high97.6Very high20 Ų2045.7 Ų45.717%0.16526%0.258CS..THydrogen-bonded Turntrans-85.1-5.8178.400000113.9I120 L125 L160 R162I120-A164 HydrophobicContact CB-CB 3.73Å; I120-A164 HydrophobicContact CD1-CB 4.31Å; I120-A164 HydrophobicContact CG2-CB 3.78Å; L125-A164 HydrophobicContact CB-CB 4.26Å; L125-A164 HydrophobicContact CD1-CB 3.84Å; L125-A164 HydrophobicContact CD2-CB 3.88Å; L125-A164 HydrophobicContact CG-CB 4.2Å; L160-A164 WeakPolarHBondContact O-CB 3.45Å; L160-A164 PolarHBondContact O-N 3.13Å; R162-A164 VanDerWaalsContact C-N 3.33Å
165A97.5Very high97.6Very high31 Ų3144.4 Ų44.426%0.25625%0.248SC..  trans-61.7140.3177.900000111.2E161 R162 D167 Y168E161-A165 PolarHBondContact O-N 3.38Å; R162-A165 WeakPolarHBondContact O-CB 3.49Å; R162-A165 PolarHBondContact O-N 3.36Å; A165-D167 VanDerWaalsContact C-N 3.26Å; A165-D167 PolarHBondContact O-N 2.85Å; A165-Y168 WeakPolarHBondContact O-CB 3.48Å; A165-Y168 PolarHBondContact O-N 3.17Å
166A93.5Very high97.6Very high98 Ų9842 Ų4281%0.8124%0.239SC*.THydrogen-bonded Turntrans-60.8-38.5-177.600000111.9K70 Y168K70-A166 PolarHBondContact NZ-O 3.38Å; A166-Y168 VanDerWaalsContact C-N 3.33Å
167D95.4Very high97.5Very high135 Ų13545.4 Ų45.472%0.72225%0.251SS*.THydrogen-bonded Turntrans-89.810.8177.664.5-29.6000113.7A165 I169A165-D167 VanDerWaalsContact C-N 3.26Å; A165-D167 PolarHBondContact O-N 2.85Å; D167-I169 PolarHBondContact O-N 3.3Å
168Y97.4Very high97.5Very high12 Ų1245.5 Ų45.55%0.04725%0.253CS..  trans-55.3123177.2173.8-129.1000111.6K70 I73 R162 I163 A165 A166 P170 D174K70-Y168 HydrophobicContact CD-CD1 4.33Å; K70-Y168 HydrophobicContact CG-CD1 4.11Å; K70-Y168 HydrophobicContact CG-CE1 4.43Å; I73-Y168 HydrophobicContact CG2-CE1 4.27Å; R162-Y168 HydrophobicContact CG-CD2 4.33Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.25Å; R162-Y168 WeakPolarHBondContact O-CB 3.37Å; R162-Y168 WeakPolarHBondContact O-CD2 3.43Å; I163-Y168 HydrophobicContact CB-CE1 4.38Å; I163-Y168 HydrophobicContact CG1-CE1 4.46Å; I163-Y168 HydrophobicContact CG2-CD1 4.37Å; I163-Y168 HydrophobicContact CG2-CE1 4.04Å; I163-Y168 WeakPolarHBondContact O-CD1 3.2Å; A165-Y168 WeakPolarHBondContact O-CB 3.48Å; A165-Y168 PolarHBondContact O-N 3.17Å; A166-Y168 VanDerWaalsContact C-N 3.33Å; Y168-P170 HydrophobicContact CE1-CG 4.03Å; Y168-P170 WeakPolarHBondContact OH-CA 3.39Å; Y168-D174 PolarHBondContact OH-OD2 3.45Å
169I97.4Very high97.3Very high77 Ų7743 Ų4340%0.39524%0.235SC..  trans-117.7123.7169.4-66.4154.5000107.5L63 C66 D167 T171L63-I169 HydrophobicContact CD1-CD1 3.71Å; L63-I169 HydrophobicContact CD1-CG1 4.19Å; L63-I169 HydrophobicContact CD1-CG2 3.73Å; C66-I169 HydrophobicContact CB-CG2 3.98Å; D167-I169 PolarHBondContact O-N 3.3Å; I169-T171 PolarHBondContact O-N 3.36Å
170P98.3Very high97.1Very high3 Ų345.3 Ų45.32%0.01925%0.247CC..  trans-53.2132.4175.2-32.839.6000113.8C66 K70 I73 Y168 D174 I175C66-P170 WeakPolarHBondContact CB-O 3.43Å; C66-P170 WeakPolarHBondContact O-CB 3.3Å; C66-P170 WeakPolarHBondContact O-CD 3.48Å; C66-P170 WeakPolarHBondContact O-CG 3.04Å; K70-P170 HydrophobicContact CB-CG 3.99Å; I73-P170 HydrophobicContact CD1-CB 3.48Å; I73-P170 VanDerWaalsContact CD1-CB 3.48Å; I73-P170 HydrophobicContact CD1-CG 3.55Å; Y168-P170 HydrophobicContact CE1-CG 4.03Å; Y168-P170 WeakPolarHBondContact OH-CA 3.39Å; P170-D174 HydrophobicContact CB-CB 4.33Å; P170-I175 HydrophobicContact CB-CD1 4.49Å; P170-I175 HydrophobicContact CB-CG1 4.14Å
171T97.9Very high96.8Very high61 Ų6149.7 Ų49.737%0.37427%0.269SS..  trans-78.9165169.766.30000110.3I169 E173 D174 I175I169-T171 PolarHBondContact O-N 3.36Å; T171-E173 PolarHBondContact O-N 3.45Å; T171-E173 PolarHBondContact OG1-N 3.36Å; T171-D174 WeakPolarHBondContact CB-OD2 3.37Å; T171-D174 PolarHBondContact N-OD2 2.86Å; T171-D174 PolarHBondContact O-N 2.91Å; T171-D174 PolarHBondContact OG1-N 3.01Å; T171-D174 VanDerWaalsContact OG1-N 3.14Å; T171-D174 PolarHBondContact OG1-OD2 2.91Å; T171-I175 WeakPolarHBondContact O-CG1 3.32Å; T171-I175 PolarHBondContact O-N 3.02Å
172V97Very high96.4Very high60 Ų6047 Ų4736%0.36426%0.258SS..Hα-helixtrans-58.5-35.8172.8175.60000111.3I55 I175 L176I55-V172 HydrophobicContact CD1-CG1 3.43Å; I55-V172 VanDerWaalsContact CD1-CG1 3.43Å; I55-V172 HydrophobicContact CG1-CG1 4.09Å; V172-I175 PolarHBondContact O-N 3.48Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.31Å; V172-L176 WeakPolarHBondContact O-CB 3.31Å; V172-L176 VanDerWaalsContact O-CG 3.32Å; V172-L176 WeakPolarHBondContact O-CG 3.43Å; V172-L176 PolarHBondContact O-N 2.94Å
173E97.6Very high96Very high60 Ų6048.3 Ų48.328%0.2827%0.273SS..Hα-helixtrans-66.1-42.9177.1-17365.9-168.400111.8Y155 T171 I175 L176 R177Y155-E173 HydrophobicContact CE2-CG 3.83Å; Y155-E173 WeakPolarHBondContact OH-CG 3.37Å; T171-E173 PolarHBondContact O-N 3.45Å; T171-E173 PolarHBondContact OG1-N 3.36Å; E173-I175 VanDerWaalsContact C-N 3.29Å; E173-I175 PolarHBondContact O-N 2.9Å; E173-L176 PolarHBondContact O-N 2.81Å; E173-R177 WeakPolarHBondContact O-CB 3.46Å; E173-R177 WeakPolarHBondContact O-CG 3.19Å; E173-R177 PolarHBondContact O-N 2.91Å; E173-R177 IonicContact OE1-CZ 2.82Å; E173-R177 VanDerWaalsContact OE1-CZ 3.24Å; E173-R177 IonicContact OE1-NE 3Å; E173-R177 PolarHBondContact OE1-NE 3.47Å; E173-R177 IonicContact OE1-NH2 3.43Å; E173-R177 PolarHBondContact OE1-NH2 3.04Å
174D98.3Very high95.8Very high0 Ų049.2 Ų49.20%028%0.283CS..Hα-helixtrans-58.8-44.6173.2-58.2-55.6000110.4I73 Y155 Y156 R162 Y168 P170 T171 L176 R177 S178I73-D174 HydrophobicContact CD1-CB 3.6Å; I73-D174 HydrophobicContact CG1-CB 4.35Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.31Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.38Å; Y155-D174 PolarHBondContact OH-N 2.68Å; Y155-D174 PolarHBondContact OH-OD1 3.36Å; Y156-D174 HydrophobicContact CE1-CB 4.33Å; Y156-D174 PolarHBondContact OH-O 3.01Å; R162-D174 IonicContact CZ-OD1 3.44Å; R162-D174 IonicContact CZ-OD2 3.6Å; R162-D174 VanDerWaalsContact NH1-CG 3.34Å; R162-D174 IonicContact NH1-OD1 3.29Å; R162-D174 PolarHBondContact NH1-OD1 2.83Å; R162-D174 VanDerWaalsContact NH1-OD1 3.13Å; R162-D174 IonicContact NH1-OD2 3.56Å; R162-D174 PolarHBondContact NH1-OD2 2.8Å; R162-D174 IonicContact NH2-OD1 2.72Å; R162-D174 PolarHBondContact NH2-OD1 2.99Å; R162-D174 IonicContact NH2-OD2 2.73Å; Y168-D174 PolarHBondContact OH-OD2 3.45Å; P170-D174 HydrophobicContact CB-CB 4.33Å; T171-D174 WeakPolarHBondContact CB-OD2 3.37Å; T171-D174 PolarHBondContact N-OD2 2.86Å; T171-D174 PolarHBondContact O-N 2.91Å; T171-D174 PolarHBondContact OG1-N 3.01Å; T171-D174 VanDerWaalsContact OG1-N 3.14Å; T171-D174 PolarHBondContact OG1-OD2 2.91Å; D174-L176 PolarHBondContact O-N 3.4Å; D174-R177 PolarHBondContact O-N 3.21Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 2.9Å
175I98.1Very high95.5Very high0 Ų051.5 Ų51.50%029%0.292CS..Hα-helixtrans-63.6-42.5179.6-65.1167000110.9K51 F61 C66 Y69 P170 T171 V172 E173 R177 S178K51-I175 HydrophobicContact CD-CG2 4.28Å; K51-I175 PolarHBondContact NZ-O 3.41Å; F61-I175 HydrophobicContact CB-CD1 4.13Å; F61-I175 HydrophobicContact CD1-CD1 4.27Å; F61-I175 HydrophobicContact CD1-CG2 4.44Å; F61-I175 HydrophobicContact CD2-CD1 4.28Å; F61-I175 HydrophobicContact CD2-CG2 4.36Å; F61-I175 HydrophobicContact CE1-CG2 3.97Å; F61-I175 HydrophobicContact CE2-CG2 3.9Å; F61-I175 HydrophobicContact CG-CD1 3.98Å; F61-I175 HydrophobicContact CZ-CG2 3.7Å; C66-I175 HydrophobicContact CB-CD1 4.23Å; Y69-I175 HydrophobicContact CD1-CG1 4.37Å; Y69-I175 HydrophobicContact CD1-CG2 4.13Å; Y69-I175 HydrophobicContact CD2-CD1 4.06Å; Y69-I175 HydrophobicContact CD2-CG1 3.9Å; Y69-I175 HydrophobicContact CD2-CG2 4.11Å; Y69-I175 HydrophobicContact CE1-CG2 3.95Å; Y69-I175 HydrophobicContact CE2-CG2 3.91Å; Y69-I175 HydrophobicContact CG-CD1 4.47Å; Y69-I175 HydrophobicContact CG-CG1 3.84Å; Y69-I175 HydrophobicContact CG-CG2 4.23Å; P170-I175 HydrophobicContact CB-CD1 4.49Å; P170-I175 HydrophobicContact CB-CG1 4.14Å; T171-I175 WeakPolarHBondContact O-CG1 3.32Å; T171-I175 PolarHBondContact O-N 3.02Å; V172-I175 PolarHBondContact O-N 3.48Å; E173-I175 VanDerWaalsContact C-N 3.29Å; E173-I175 PolarHBondContact O-N 2.9Å; I175-R177 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.44Å; I175-S178 PolarHBondContact O-N 2.86Å; I175-S178 PolarHBondContact O-OG 2.9Å
176L97.8Very high95.3Very high3 Ų353 Ų532%0.01630%0.298CS..Hα-helixtrans-64.9-34.8178.4-75.9171.5000112.5T48 K51 Q52 I55 V172 E173 D174 T328T48-L176 HydrophobicContact CG2-CB 4.43Å; T48-L176 HydrophobicContact CG2-CD2 3.87Å; K51-L176 HydrophobicContact CB-CD2 3.96Å; Q52-L176 HydrophobicContact CG-CD2 3.84Å; I55-L176 HydrophobicContact CD1-CD1 4Å; I55-L176 HydrophobicContact CD1-CD2 3.75Å; I55-L176 HydrophobicContact CD1-CG 3.96Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.31Å; V172-L176 WeakPolarHBondContact O-CB 3.31Å; V172-L176 VanDerWaalsContact O-CG 3.32Å; V172-L176 WeakPolarHBondContact O-CG 3.43Å; V172-L176 PolarHBondContact O-N 2.94Å; E173-L176 PolarHBondContact O-N 2.81Å; D174-L176 PolarHBondContact O-N 3.4Å; L176-T328 HydrophobicContact CB-CG2 4.23Å
177R97.6Very high95.4Very high71 Ų7153 Ų5327%0.26828%0.281SS..Hα-helixtrans-84.8-17.9177.7-69.1-177.7-177.2-98.8-5.9114.1N152 Y155 Y156 E173 D174 I175 R179 T328N152-R177 HydrophobicContact CB-CB 4.22Å; N152-R177 WeakPolarHBondContact CB-O 3.35Å; N152-R177 PolarHBondContact ND2-O 3.29Å; Y155-R177 HydrophobicContact CD1-CB 4.29Å; Y155-R177 HydrophobicContact CD1-CG 4.44Å; Y155-R177 VanDerWaalsContact CD2-CD 3.46Å; Y155-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 VanDerWaalsContact OH-C 3.28Å; E173-R177 WeakPolarHBondContact O-CB 3.46Å; E173-R177 WeakPolarHBondContact O-CG 3.19Å; E173-R177 PolarHBondContact O-N 2.91Å; E173-R177 IonicContact OE1-CZ 2.82Å; E173-R177 VanDerWaalsContact OE1-CZ 3.24Å; E173-R177 IonicContact OE1-NE 3Å; E173-R177 PolarHBondContact OE1-NE 3.47Å; E173-R177 IonicContact OE1-NH2 3.43Å; E173-R177 PolarHBondContact OE1-NH2 3.04Å; D174-R177 PolarHBondContact O-N 3.21Å; I175-R177 VanDerWaalsContact C-N 3.31Å; I175-R177 PolarHBondContact O-N 3.44Å; R177-R179 PolarHBondContact O-N 3.47Å; R177-T328 HydrophobicContact CG-CG2 4.06Å
178S97.4Very high95.3Very high6 Ų649.2 Ų49.24%0.04226%0.261CS..  trans-60.4134178.566.50000110.9K51 N76 Y156 D174 I175K51-S178 PolarHBondContact NZ-O 2.85Å; K51-S178 PolarHBondContact NZ-OG 2.8Å; N76-S178 WeakPolarHBondContact OD1-CA 3.21Å; Y156-S178 WeakPolarHBondContact OH-CA 3Å; Y156-S178 PolarHBondContact OH-N 3.41Å; D174-S178 WeakPolarHBondContact O-CB 3.38Å; D174-S178 PolarHBondContact O-N 2.9Å; I175-S178 PolarHBondContact O-N 2.86Å; I175-S178 PolarHBondContact O-OG 2.9Å
179R94.9Very high95.2Very high55 Ų5554.5 Ų54.521%0.20828%0.284CS..  trans-109.3113.9179.3176.453.3-178.7-134.2-17.4109.5N43 N76 E150 R177N43-R179 VanDerWaalsContact CA-NH1 3.35Å; N43-R179 VanDerWaalsContact CG-NH2 3.32Å; N43-R179 PolarHBondContact OD1-NE 3.13Å; N43-R179 PolarHBondContact OD1-NH1 2.92Å; N43-R179 PolarHBondContact OD1-NH2 3.42Å; N76-R179 PolarHBondContact ND2-O 3.19Å; N76-R179 PolarHBondContact OD1-N 2.66Å; N76-R179 PolarHBondContact OD1-O 2.95Å; E150-R179 HydrophobicContact CG-CG 4.5Å; R177-R179 PolarHBondContact O-N 3.47Å
180D93.6Very high95.1Very high108 Ų10851.3 Ų51.358%0.57827%0.267SS*.  trans-115.7140.8161.4-168.14.7000109.1L72 T182L72-D180 HydrophobicContact CD1-CB 4.23Å; L72-D180 HydrophobicContact CD2-CB 3.95Å; D180-T182 PolarHBondContact O-N 2.75Å
181M91.7Very high94.8Very high94 Ų9455.5 Ų55.546%0.46329%0.293SS..  trans-77.9104.9178.2180169.868.700109.1T183 Q205M181-T183 PolarHBondContact O-N 3.17Å; M181-T183 VanDerWaalsContact O-N 3.13Å; M181-Q205 VanDerWaalsContact SD-CD 3.51Å; M181-Q205 PolarHBondContact SD-NE2 2.85Å; M181-Q205 PolarHBondContact SD-OE1 3.14Å; M181-Q205 VanDerWaalsContact SD-OE1 3.41Å
182T90.8Very high94.5Very high29 Ų2954.4 Ų54.418%0.17828%0.283CS..  trans-61.5118177.7-43.20000110.8S47 D180 V186 G203S47-T182 PolarHBondContact OG-OG1 2.82Å; D180-T182 PolarHBondContact O-N 2.75Å; T182-V186 HydrophobicContact CG2-CG2 4.33Å; T182-G203 WeakPolarHBondContact O-CA 3.38Å
183T89.9Confident94Very high91 Ų9155.7 Ų55.756%0.55828%0.284SS*.  trans-110146.3170.961.40000109.7M181 E208M181-T183 PolarHBondContact O-N 3.17Å; M181-T183 VanDerWaalsContact O-N 3.13Å; T183-E208 WeakPolarHBondContact CA-OE2 3.31Å
184G91.6Very high93.4Very high20 Ų2060.3 Ų60.321%0.20631%0.305CS..SBendtrans68-143.8179.500000113.7G203 E208G184-G203 PolarHBondContact O-N 2.9Å; G184-E208 PolarHBondContact N-OE2 3.33Å
185I92.6Very high93.1Very high67 Ų6761.5 Ų61.534%0.34431%0.312SS..EExtended strand (participates in β ladder)trans-126.6123.7-173.9-60.5159.2000107.4E187 V200 V202 H214 C215I185-E187 HydrophobicContact CG2-CG 4.35Å; I185-V200 HydrophobicContact CG2-CG1 3.58Å; I185-V202 HydrophobicContact CB-CG1 4.49Å; I185-V202 HydrophobicContact CG1-CG1 4.02Å; I185-V202 HydrophobicContact CG2-CG1 4.35Å; I185-H214 HydrophobicContact CD1-CB 4.13Å; I185-C215 WeakPolarHBondContact CD1-SG 3.47Å; I185-C215 VanDerWaalsContact CG2-SG 3.56Å
186V93.2Very high92.8Very high63 Ų6364 Ų6438%0.38233%0.327SS..EExtended strand (participates in β ladder)trans-116.2123.4177.8-176.80000108.4T182 D201T182-V186 HydrophobicContact CG2-CG2 4.33Å; V186-D201 PolarHBondContact N-O 3.17Å; V186-D201 PolarHBondContact O-N 3.42Å
187E94.7Very high92.7Very high98 Ų9863.9 Ų63.946%0.45833%0.326SS..EExtended strand (participates in β ladder)trans-107.3130.6178.5-58.3-167.1152.400110.7I185 K198 M199 V200I185-E187 HydrophobicContact CG2-CG 4.35Å; E187-K198 WeakPolarHBondContact OE1-CE 3.28Å; E187-K198 IonicContact OE1-NZ 2.75Å; E187-K198 PolarHBondContact OE1-NZ 3.36Å; E187-K198 WeakPolarHBondContact OE2-CE 3.31Å; E187-K198 IonicContact OE2-NZ 2.82Å; E187-K198 PolarHBondContact OE2-NZ 3.45Å; E187-M199 WeakPolarHBondContact CA-O 3.34Å; E187-V200 HydrophobicContact CG-CG1 4.45Å; E187-V200 HydrophobicContact CG-CG2 4.22Å
188N94.4Very high92.6Very high56 Ų5662.3 Ų62.330%0.29932%0.321SS..EExtended strand (participates in β ladder)trans-123.6144.8174.6-74.1-93000109.8V50 M199V50-N188 HydrophobicContact CG1-CB 4.05Å; V50-N188 WeakPolarHBondContact CG1-ND2 3.49Å; N188-M199 PolarHBondContact N-O 3.47Å; N188-M199 PolarHBondContact O-N 3.06Å
189K95.3Very high92.6Very high122 Ų12262 Ų6253%0.5332%0.319SS..EExtended strand (participates in β ladder)trans-123137.5178.7-66.3-176.6-179.5-174.10110.6F197K189-F197 VanDerWaalsContact CA-O 3.24Å; K189-F197 WeakPolarHBondContact CA-O 3.37Å
190F95Very high92.7Very high10 Ų1059.4 Ų59.44%0.04431%0.309CS..EExtended strand (participates in β ladder)trans-149.5161.917460.1-86.5000110.2M53 H57 F192 F197 M199 F337M53-F190 HydrophobicContact CB-CD1 3.85Å; M53-F190 HydrophobicContact CB-CE1 3.65Å; M53-F190 HydrophobicContact CB-CG 4.4Å; M53-F190 HydrophobicContact CB-CZ 4.04Å; M53-F190 HydrophobicContact CG-CD1 4.33Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.44Å; M53-F190 HydrophobicContact CG-CZ 3.68Å; M53-F190 HydrophobicContact SD-CE1 4.12Å; M53-F190 HydrophobicContact SD-CE2 3.91Å; M53-F190 HydrophobicContact SD-CZ 3.52Å; M53-F190 VanDerWaalsContact SD-CZ 3.52Å; H57-F190 HydrophobicContact CB-CB 4.05Å; H57-F190 HydrophobicContact CB-CD2 3.75Å; H57-F190 HydrophobicContact CB-CG 4.19Å; H57-F190 AromaticContact CD2-CD2 3.75Å; H57-F190 AromaticContact CD2-CE2 3.74Å; H57-F190 AromaticContact CG-CD2 3.95Å; F190-F192 HydrophobicContact CD2-CB 4.38Å; F190-F192 HydrophobicContact CE2-CB 4.4Å; F190-F197 HydrophobicContact CD1-CB 4.05Å; F190-F197 HydrophobicContact CD2-CB 3.92Å; F190-F197 HydrophobicContact CD2-CD2 4.28Å; F190-F197 HydrophobicContact CD2-CG 4.32Å; F190-F197 HydrophobicContact CE1-CB 3.68Å; F190-F197 HydrophobicContact CE2-CB 3.53Å; F190-F197 HydrophobicContact CE2-CD1 4.39Å; F190-F197 AromaticContact CE2-CD2 3.83Å; F190-F197 HydrophobicContact CE2-CD2 3.83Å; F190-F197 AromaticContact CE2-CG 3.66Å; F190-F197 HydrophobicContact CE2-CG 3.66Å; F190-F197 HydrophobicContact CG-CB 4.17Å; F190-F197 HydrophobicContact CZ-CB 3.4Å; F190-F197 VanDerWaalsContact CZ-CB 3.4Å; F190-F197 HydrophobicContact CZ-CD1 4.23Å; F190-F197 HydrophobicContact CZ-CD2 4.42Å; F190-F197 AromaticContact CZ-CG 3.78Å; F190-F197 HydrophobicContact CZ-CG 3.78Å; F190-F197 PolarHBondContact N-O 3.26Å; F190-F197 VanDerWaalsContact N-O 3.11Å; F190-F197 PolarHBondContact O-N 3.24Å; F190-M199 HydrophobicContact CE1-CB 4.01Å; F190-M199 HydrophobicContact CE1-CE 4.03Å; F190-M199 HydrophobicContact CE1-SD 4.45Å; F190-M199 HydrophobicContact CZ-CE 4.1Å; F190-F337 AromaticContact CE2-CE1 3.79Å; F190-F337 HydrophobicContact CE2-CE1 3.79Å; F190-F337 AromaticContact CE2-CZ 3.83Å; F190-F337 HydrophobicContact CE2-CZ 3.83Å; F190-F337 HydrophobicContact CZ-CE1 4.02Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.58Å; F190-F337 HydrophobicContact CZ-CZ 3.58Å
191T91.8Very high92.8Very high91 Ų9154.5 Ų54.556%0.55828%0.283SS*.EExtended strand (participates in β ladder)trans-111.2131.8178.8-60.60000109.8L195T191-L195 VanDerWaalsContact CA-O 3.31Å; T191-L195 WeakPolarHBondContact CA-O 3.44Å
192F90.8Very high93Very high39 Ų3950 Ų5017%0.17126%0.261CS..EExtended strand (participates in β ladder)trans-149.6135.7177.3178.6-125.4000109.9H57 F190 E194 L195 F197 F337 D338 T341H57-F192 AromaticContact CE1-CD2 3.25Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.4Å; H57-F192 AromaticContact CE1-CE2 3.59Å; H57-F192 AromaticContact CE1-CG 3.64Å; H57-F192 AromaticContact ND1-CD2 3.65Å; F190-F192 HydrophobicContact CD2-CB 4.38Å; F190-F192 HydrophobicContact CE2-CB 4.4Å; F192-E194 VanDerWaalsContact C-N 3.26Å; F192-E194 PolarHBondContact O-N 3.18Å; F192-L195 PolarHBondContact N-O 2.92Å; F192-L195 WeakPolarHBondContact O-CA 3.36Å; F192-L195 WeakPolarHBondContact O-CB 3.49Å; F192-L195 PolarHBondContact O-N 3.36Å; F192-F197 HydrophobicContact CB-CD2 4.02Å; F192-F197 HydrophobicContact CB-CE2 3.83Å; F192-F197 HydrophobicContact CD1-CE2 4.11Å; F192-F197 HydrophobicContact CD1-CZ 4.44Å; F192-F197 HydrophobicContact CG-CE2 4.47Å; F192-F337 HydrophobicContact CD1-CD1 4.23Å; F192-F337 AromaticContact CD1-CE1 3.95Å; F192-F337 HydrophobicContact CD1-CE1 3.95Å; F192-F337 HydrophobicContact CE1-CD1 4.27Å; F192-F337 HydrophobicContact CE1-CE1 4.4Å; F192-D338 WeakPolarHBondContact CZ-OD1 3.37Å; F192-T341 HydrophobicContact CD1-CG2 3.89Å; F192-T341 HydrophobicContact CE1-CG2 3.77Å
193K87.4Confident93.2Very high87 Ų8748.7 Ų48.738%0.37825%0.253SS..THydrogen-bonded Turntrans47.345.3-177.1-70.4178.1163.5172.70113.4L195 D338 T341 D342 I345K193-L195 PolarHBondContact O-N 3.45Å; K193-D338 WeakPolarHBondContact CE-OD1 3.46Å; K193-D338 IonicContact NZ-OD1 3.36Å; K193-D338 PolarHBondContact NZ-OD1 3.27Å; K193-T341 HydrophobicContact CD-CG2 4.04Å; K193-D342 VanDerWaalsContact NZ-CG 3.35Å; K193-D342 IonicContact NZ-OD1 2.67Å; K193-D342 PolarHBondContact NZ-OD1 3.34Å; K193-D342 IonicContact NZ-OD2 2.78Å; K193-D342 PolarHBondContact NZ-OD2 3.07Å; K193-I345 HydrophobicContact CD-CD1 4.5Å
194E84.8Confident93.3Very high157 Ų15744.7 Ų44.773%0.73423%0.23SC*.THydrogen-bonded Turntrans626-176.4-52.2-174.9173.800116.1F192F192-E194 VanDerWaalsContact C-N 3.26Å; F192-E194 PolarHBondContact O-N 3.18Å
195L90.8Very high93.3Very high25 Ų2545.2 Ų45.213%0.13123%0.227CC..EExtended strand (participates in β ladder)trans-98146.1175.7-60.4170.3000110.4R32 I34 T191 F192 K193 F197 I345R32-L195 HydrophobicContact CB-CD2 4.21Å; R32-L195 WeakPolarHBondContact O-CA 3.46Å; I34-L195 HydrophobicContact CG1-CB 4.3Å; I34-L195 HydrophobicContact CG1-CD1 4.06Å; T191-L195 VanDerWaalsContact CA-O 3.31Å; T191-L195 WeakPolarHBondContact CA-O 3.44Å; F192-L195 PolarHBondContact N-O 2.92Å; F192-L195 WeakPolarHBondContact O-CA 3.36Å; F192-L195 WeakPolarHBondContact O-CB 3.49Å; F192-L195 PolarHBondContact O-N 3.36Å; K193-L195 PolarHBondContact O-N 3.45Å; L195-F197 HydrophobicContact CB-CD2 4.25Å; L195-F197 HydrophobicContact CB-CE2 3.76Å; L195-F197 HydrophobicContact CB-CZ 4.44Å; L195-F197 HydrophobicContact CD1-CE2 4.38Å; L195-F197 HydrophobicContact CD1-CZ 4.34Å; L195-I345 HydrophobicContact CD1-CD1 3.56Å; L195-I345 HydrophobicContact CD1-CG1 3.56Å
196T92.7Very high93.3Very high52 Ų5246 Ų4632%0.31923%0.226SC..EExtended strand (participates in β ladder)trans-95.3111.7171.2-59.30000108.5R32 E33 I34R32-T196 PolarHBondContact O-N 3.25Å; E33-T196 CarbonylContact C-O 3.21Å; E33-T196 VanDerWaalsContact CA-O 3.29Å; E33-T196 WeakPolarHBondContact CA-O 3.29Å; I34-T196 PolarHBondContact N-O 2.88Å
197F95.1Very high93.3Very high0 Ų046.6 Ų46.60%023%0.232CC..EExtended strand (participates in β ladder)trans-88.6129.7175.1-73.8-95.7000109.8I34 L36 K189 F190 F192 L195 F337 T341I34-F197 HydrophobicContact CB-CD1 3.76Å; I34-F197 HydrophobicContact CB-CE1 3.8Å; I34-F197 HydrophobicContact CB-CG 4.35Å; I34-F197 HydrophobicContact CB-CZ 4.4Å; I34-F197 HydrophobicContact CG1-CE1 4.18Å; I34-F197 HydrophobicContact CG1-CZ 4.32Å; I34-F197 HydrophobicContact CG2-CD1 3.76Å; I34-F197 HydrophobicContact CG2-CE1 3.6Å; I34-F197 CarbonylContact O-C 3.54Å; I34-F197 WeakPolarHBondContact O-CA 3.39Å; L36-F197 HydrophobicContact CD1-CD1 3.59Å; L36-F197 HydrophobicContact CD1-CE1 4.05Å; L36-F197 HydrophobicContact CG-CD1 3.92Å; L36-F197 HydrophobicContact CG-CE1 4.43Å; K189-F197 VanDerWaalsContact CA-O 3.24Å; K189-F197 WeakPolarHBondContact CA-O 3.37Å; F190-F197 HydrophobicContact CD1-CB 4.05Å; F190-F197 HydrophobicContact CD2-CB 3.92Å; F190-F197 HydrophobicContact CD2-CD2 4.28Å; F190-F197 HydrophobicContact CD2-CG 4.32Å; F190-F197 HydrophobicContact CE1-CB 3.68Å; F190-F197 HydrophobicContact CE2-CB 3.53Å; F190-F197 HydrophobicContact CE2-CD1 4.39Å; F190-F197 AromaticContact CE2-CD2 3.83Å; F190-F197 HydrophobicContact CE2-CD2 3.83Å; F190-F197 AromaticContact CE2-CG 3.66Å; F190-F197 HydrophobicContact CE2-CG 3.66Å; F190-F197 HydrophobicContact CG-CB 4.17Å; F190-F197 HydrophobicContact CZ-CB 3.4Å; F190-F197 VanDerWaalsContact CZ-CB 3.4Å; F190-F197 HydrophobicContact CZ-CD1 4.23Å; F190-F197 HydrophobicContact CZ-CD2 4.42Å; F190-F197 AromaticContact CZ-CG 3.78Å; F190-F197 HydrophobicContact CZ-CG 3.78Å; F190-F197 PolarHBondContact N-O 3.26Å; F190-F197 VanDerWaalsContact N-O 3.11Å; F190-F197 PolarHBondContact O-N 3.24Å; F192-F197 HydrophobicContact CB-CD2 4.02Å; F192-F197 HydrophobicContact CB-CE2 3.83Å; F192-F197 HydrophobicContact CD1-CE2 4.11Å; F192-F197 HydrophobicContact CD1-CZ 4.44Å; F192-F197 HydrophobicContact CG-CE2 4.47Å; L195-F197 HydrophobicContact CB-CD2 4.25Å; L195-F197 HydrophobicContact CB-CE2 3.76Å; L195-F197 HydrophobicContact CB-CZ 4.44Å; L195-F197 HydrophobicContact CD1-CE2 4.38Å; L195-F197 HydrophobicContact CD1-CZ 4.34Å; F197-F337 HydrophobicContact CD1-CZ 4.07Å; F197-F337 HydrophobicContact CE1-CE1 4.42Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.48Å; F197-T341 HydrophobicContact CZ-CG2 3.82Å
198K95.8Very high93.3Very high38 Ų3842.9 Ų42.917%0.16522%0.215CC..EExtended strand (participates in β ladder)trans-10999.8167.5-178.9-180173.5172.30107.8I34 K35 L36 E187 V200I34-K198 PolarHBondContact O-N 3.41Å; K35-K198 CarbonylContact C-O 3.58Å; K35-K198 WeakPolarHBondContact CA-O 3.48Å; L36-K198 PolarHBondContact N-O 3.1Å; E187-K198 WeakPolarHBondContact OE1-CE 3.28Å; E187-K198 IonicContact OE1-NZ 2.75Å; E187-K198 PolarHBondContact OE1-NZ 3.36Å; E187-K198 WeakPolarHBondContact OE2-CE 3.31Å; E187-K198 IonicContact OE2-NZ 2.82Å; E187-K198 PolarHBondContact OE2-NZ 3.45Å; K198-V200 HydrophobicContact CG-CG2 4.42Å
199M96.8Very high93.3Very high0 Ų042.3 Ų42.30%021%0.209CC..EExtended strand (participates in β ladder)trans-93.7123.8178.8-176.5171.8-75.700110.3L36 L38 I49 V50 M53 E187 N188 F190 F337L36-M199 HydrophobicContact CD1-CE 3.74Å; L36-M199 CarbonylContact O-C 3.52Å; L36-M199 WeakPolarHBondContact O-CA 3.27Å; L38-M199 HydrophobicContact CD1-CG 3.97Å; L38-M199 HydrophobicContact CD1-SD 3.81Å; L38-M199 HydrophobicContact CD2-CE 4.33Å; L38-M199 HydrophobicContact CD2-CG 4.31Å; L38-M199 HydrophobicContact CD2-SD 4.27Å; L38-M199 HydrophobicContact CG-CG 3.93Å; L38-M199 HydrophobicContact CG-SD 4.22Å; I49-M199 HydrophobicContact CG2-CE 4.34Å; I49-M199 HydrophobicContact CG2-SD 4.39Å; V50-M199 HydrophobicContact CG2-CG 4.35Å; V50-M199 HydrophobicContact CG2-SD 3.95Å; M53-M199 HydrophobicContact CG-CE 3.5Å; M53-M199 HydrophobicContact CG-SD 3.72Å; M53-M199 HydrophobicContact SD-CE 4.12Å; E187-M199 WeakPolarHBondContact CA-O 3.34Å; N188-M199 PolarHBondContact N-O 3.47Å; N188-M199 PolarHBondContact O-N 3.06Å; F190-M199 HydrophobicContact CE1-CB 4.01Å; F190-M199 HydrophobicContact CE1-CE 4.03Å; F190-M199 HydrophobicContact CE1-SD 4.45Å; F190-M199 HydrophobicContact CZ-CE 4.1Å; M199-F337 HydrophobicContact CE-CE2 4Å
200V97.3Very high93.1Very high0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-111112.2-177.9-174.10000108.5K35 L36 L37 L38 I185 E187 K198 V202 C215K35-V200 HydrophobicContact CG-CG2 4.41Å; L36-V200 PolarHBondContact O-N 3.36Å; L37-V200 HydrophobicContact CD1-CB 3.94Å; L37-V200 HydrophobicContact CD1-CG1 3.93Å; L38-V200 PolarHBondContact N-O 2.96Å; I185-V200 HydrophobicContact CG2-CG1 3.58Å; E187-V200 HydrophobicContact CG-CG1 4.45Å; E187-V200 HydrophobicContact CG-CG2 4.22Å; K198-V200 HydrophobicContact CG-CG2 4.42Å; V200-V202 HydrophobicContact CG1-CG1 4.24Å; V200-C215 HydrophobicContact CG1-CB 4.15Å
201D96.6Very high93Very high5 Ų548.6 Ų48.63%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-99.8140.9172.7-174.427.6000110.2L38 K46 S47 V50 V186L38-D201 HydrophobicContact CD1-CB 4.26Å; K46-D201 VanDerWaalsContact CB-OD1 3.26Å; K46-D201 WeakPolarHBondContact CB-OD1 3.27Å; S47-D201 WeakPolarHBondContact CA-OD2 3.44Å; S47-D201 WeakPolarHBondContact CB-OD2 3.4Å; S47-D201 PolarHBondContact OG-OD2 2.84Å; V50-D201 HydrophobicContact CG2-CB 3.67Å; V186-D201 PolarHBondContact N-O 3.17Å; V186-D201 PolarHBondContact O-N 3.42Å
202V96Very high93.1Very high1 Ų144.7 Ų44.71%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-135.4150.4-175.3-63.10000110.5L37 L38 L39 K46 I185 V200 G204 W212L37-V202 HydrophobicContact CD1-CG1 4.41Å; L38-V202 WeakPolarHBondContact O-CG2 3.29Å; L39-V202 HydrophobicContact CD2-CG2 3.78Å; K46-V202 WeakPolarHBondContact CE-O 3.23Å; I185-V202 HydrophobicContact CB-CG1 4.49Å; I185-V202 HydrophobicContact CG1-CG1 4.02Å; I185-V202 HydrophobicContact CG2-CG1 4.35Å; V200-V202 HydrophobicContact CG1-CG1 4.24Å; V202-G204 PolarHBondContact O-N 3.41Å; V202-W212 HydrophobicContact CG2-CD2 4.2Å; V202-W212 HydrophobicContact CG2-CG 4.16Å; V202-W212 HydrophobicContact CG2-CZ2 4.18Å; V202-W212 VanDerWaalsContact CG2-NE1 3.26Å
203G94.3Very high93Very high1 Ų146.6 Ų46.61%0.0122%0.222CC..  trans-54.8127173.500000112.1T182 G184 E208 W212T182-G203 WeakPolarHBondContact O-CA 3.38Å; G184-G203 PolarHBondContact O-N 2.9Å; G203-E208 WeakPolarHBondContact O-CB 3.13Å; G203-W212 WeakPolarHBondContact O-CZ2 3.5Å; G203-W212 PolarHBondContact O-NE1 2.8Å
204G91.5Very high93.2Very high6 Ų649.6 Ų49.66%0.06224%0.237CC..  trans-83.4-16.4-176.600000115.2G40 V202 R209G40-G204 WeakPolarHBondContact O-CA 3.49Å; V202-G204 PolarHBondContact O-N 3.41Å; G204-R209 PolarHBondContact O-NE 3.26Å
205Q92.3Very high93.6Very high32 Ų3242.3 Ų42.315%0.1520%0.204CC..SBendtrans-68.6153.5-178.4-70.1-176.5-1600111.8M181 S207 E208 R209 E237M181-Q205 VanDerWaalsContact SD-CD 3.51Å; M181-Q205 PolarHBondContact SD-NE2 2.85Å; M181-Q205 PolarHBondContact SD-OE1 3.14Å; M181-Q205 VanDerWaalsContact SD-OE1 3.41Å; Q205-S207 PolarHBondContact O-N 2.85Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 3.29Å; Q205-R209 VanDerWaalsContact O-CG 3.28Å; Q205-R209 WeakPolarHBondContact O-CG 3.21Å; Q205-R209 PolarHBondContact O-N 3.05Å; Q205-E237 WeakPolarHBondContact CA-OE1 3.39Å
206R93.5Very high93.7Very high83 Ų8342 Ų4231%0.31320%0.201SC..THydrogen-bonded Turntrans-54.9-38-179.4-72.9-179.9171.6164-0.1113.4E208 R209 L235 E237 D238 T241 E246R206-E208 VanDerWaalsContact C-N 3.25Å; R206-E208 PolarHBondContact O-N 3.38Å; R206-R209 PolarHBondContact O-N 2.98Å; R206-L235 VanDerWaalsContact CZ-CD1 3.44Å; R206-L235 VanDerWaalsContact NH2-CD1 3.33Å; R206-E237 PolarHBondContact N-OE1 3.46Å; R206-D238 IonicContact CZ-OD2 2.69Å; R206-D238 IonicContact NH1-OD2 3.74Å; R206-D238 PolarHBondContact NH1-OD2 2.87Å; R206-D238 IonicContact NH2-OD2 3.5Å; R206-T241 PolarHBondContact NH2-OG1 2.9Å; R206-E246 IonicContact CZ-OE1 2.71Å; R206-E246 IonicContact CZ-OE2 3.22Å; R206-E246 IonicContact NE-OE1 2.87Å; R206-E246 PolarHBondContact NE-OE1 3.18Å; R206-E246 VanDerWaalsContact NE-OE1 3.1Å; R206-E246 IonicContact NE-OE2 3.15Å; R206-E246 IonicContact NH2-OE1 3.08Å; R206-E246 IonicContact NH2-OE2 2.68Å; R206-E246 PolarHBondContact NH2-OE2 2.94Å
207S92.7Very high93.6Very high75 Ų7547.1 Ų47.152%0.52422%0.222SC..THydrogen-bonded Turntrans-60.3-32.2176.646.20000113.3Q205Q205-S207 PolarHBondContact O-N 2.85Å
208E94.3Very high93.3Very high20 Ų2050 Ų509%0.09325%0.252CS..THydrogen-bonded Turntrans-87.7-21-174.1-62.3-6095.200112.9T183 G184 G203 Q205 R206 K210 K211T183-E208 WeakPolarHBondContact CA-OE2 3.31Å; G184-E208 PolarHBondContact N-OE2 3.33Å; G203-E208 WeakPolarHBondContact O-CB 3.13Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 3.29Å; R206-E208 VanDerWaalsContact C-N 3.25Å; R206-E208 PolarHBondContact O-N 3.38Å; E208-K210 VanDerWaalsContact C-N 3.25Å; E208-K210 PolarHBondContact O-N 3.32Å; E208-K210 VanDerWaalsContact O-N 3.15Å; E208-K211 VanDerWaalsContact O-CB 3.29Å; E208-K211 WeakPolarHBondContact O-CB 3.32Å; E208-K211 PolarHBondContact O-N 3.18Å; E208-K211 IonicContact OE1-NZ 2.84Å; E208-K211 PolarHBondContact OE1-NZ 3.39Å; E208-K211 IonicContact OE2-NZ 2.76Å; E208-K211 PolarHBondContact OE2-NZ 2.8Å
209R93.8Very high93.2Very high45 Ų4548.8 Ų48.817%0.1725%0.247CC..G310 helixtrans-64.8-24.8-171.3-53-163.1-167.8148.67.2114.8G204 Q205 R206 K211 W212 E246G204-R209 PolarHBondContact O-NE 3.26Å; Q205-R209 VanDerWaalsContact O-CG 3.28Å; Q205-R209 WeakPolarHBondContact O-CG 3.21Å; Q205-R209 PolarHBondContact O-N 3.05Å; R206-R209 PolarHBondContact O-N 2.98Å; R209-K211 PolarHBondContact O-N 3.04Å; R209-W212 HydrophobicContact CB-CD2 4.09Å; R209-W212 HydrophobicContact CB-CE3 4.41Å; R209-W212 HydrophobicContact CB-CZ2 4.38Å; R209-W212 HydrophobicContact CG-CD2 4.31Å; R209-W212 HydrophobicContact CG-CH2 4.04Å; R209-W212 HydrophobicContact CG-CZ2 3.7Å; R209-W212 HydrophobicContact CG-CZ3 4.47Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.44Å; R209-W212 PolarHBondContact O-N 2.82Å; R209-W212 VanDerWaalsContact O-N 3.13Å; R209-E246 IonicContact CZ-OE1 2.79Å; R209-E246 IonicContact NH1-OE1 3.24Å; R209-E246 PolarHBondContact NH1-OE1 2.77Å; R209-E246 IonicContact NH2-OE1 3.13Å; R209-E246 PolarHBondContact NH2-OE1 3.42Å
210K91.7Very high93Very high185 Ų18550 Ų5080%0.80426%0.255SS*.G310 helixtrans-60.5-28.5173.3-68.8-177.2-180178.20112E208 W212 I213E208-K210 VanDerWaalsContact C-N 3.25Å; E208-K210 PolarHBondContact O-N 3.32Å; E208-K210 VanDerWaalsContact O-N 3.15Å; K210-W212 VanDerWaalsContact C-N 3.3Å; K210-W212 PolarHBondContact O-N 2.74Å; K210-I213 WeakPolarHBondContact O-CG2 3.47Å
211K93.2Very high92.9Very high79 Ų7950 Ų5034%0.34326%0.255SS..G310 helixtrans-76.4-17.2179.9-56.9171.5-177166.50112.5E208 R209 I213 H214E208-K211 VanDerWaalsContact O-CB 3.29Å; E208-K211 WeakPolarHBondContact O-CB 3.32Å; E208-K211 PolarHBondContact O-N 3.18Å; E208-K211 IonicContact OE1-NZ 2.84Å; E208-K211 PolarHBondContact OE1-NZ 3.39Å; E208-K211 IonicContact OE2-NZ 2.76Å; E208-K211 PolarHBondContact OE2-NZ 2.8Å; R209-K211 PolarHBondContact O-N 3.04Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.79Å; K211-H214 WeakPolarHBondContact O-CB 3.46Å; K211-H214 PolarHBondContact O-CD2 3.14Å; K211-H214 PolarHBondContact O-N 3.13Å
212W93.8Very high92.9Very high8 Ų849.8 Ų49.83%0.0325%0.254CS..G310 helixtrans-63.4-31.1-173.9-66.33.5000113.5L39 V202 G203 R209 K210 H214 C215 F216 L250 I254L39-W212 HydrophobicContact CB-CZ3 4.46Å; L39-W212 HydrophobicContact CD2-CD2 3.86Å; L39-W212 HydrophobicContact CD2-CE3 3.66Å; L39-W212 HydrophobicContact CD2-CG 4.46Å; L39-W212 HydrophobicContact CD2-CH2 4.2Å; L39-W212 HydrophobicContact CD2-CZ2 4.4Å; L39-W212 HydrophobicContact CD2-CZ3 3.83Å; V202-W212 HydrophobicContact CG2-CD2 4.2Å; V202-W212 HydrophobicContact CG2-CG 4.16Å; V202-W212 HydrophobicContact CG2-CZ2 4.18Å; V202-W212 VanDerWaalsContact CG2-NE1 3.26Å; G203-W212 WeakPolarHBondContact O-CZ2 3.5Å; G203-W212 PolarHBondContact O-NE1 2.8Å; R209-W212 HydrophobicContact CB-CD2 4.09Å; R209-W212 HydrophobicContact CB-CE3 4.41Å; R209-W212 HydrophobicContact CB-CZ2 4.38Å; R209-W212 HydrophobicContact CG-CD2 4.31Å; R209-W212 HydrophobicContact CG-CH2 4.04Å; R209-W212 HydrophobicContact CG-CZ2 3.7Å; R209-W212 HydrophobicContact CG-CZ3 4.47Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.44Å; R209-W212 PolarHBondContact O-N 2.82Å; R209-W212 VanDerWaalsContact O-N 3.13Å; K210-W212 VanDerWaalsContact C-N 3.3Å; K210-W212 PolarHBondContact O-N 2.74Å; W212-H214 PolarHBondContact O-N 3.03Å; W212-H214 VanDerWaalsContact O-N 3.1Å; W212-C215 WeakPolarHBondContact O-CB 3.27Å; W212-C215 PolarHBondContact O-N 3.2Å; W212-F216 HydrophobicContact CB-CE1 3.78Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.21Å; W212-F216 VanDerWaalsContact O-CE1 3.28Å; W212-F216 WeakPolarHBondContact O-CE1 3.5Å; W212-L250 HydrophobicContact CH2-CD1 3.97Å; W212-L250 HydrophobicContact CH2-CD2 3.83Å; W212-L250 HydrophobicContact CH2-CG 4.39Å; W212-L250 HydrophobicContact CZ3-CD1 3.73Å; W212-L250 HydrophobicContact CZ3-CD2 4.35Å; W212-L250 HydrophobicContact CZ3-CG 4.44Å; W212-I254 HydrophobicContact CE3-CD1 4.46Å; W212-I254 HydrophobicContact CZ3-CD1 4.28Å
213I89.7Confident93Very high80 Ų8049.8 Ų49.841%0.4125%0.253SS..G310 helixtrans-56-29.7179-168.859.8000112.3K210 K211 C215 F216 W259K210-I213 WeakPolarHBondContact O-CG2 3.47Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.79Å; I213-C215 PolarHBondContact O-N 3.47Å; I213-C215 VanDerWaalsContact O-N 3.16Å; I213-F216 HydrophobicContact CD1-CD2 3.82Å; I213-F216 HydrophobicContact CD1-CE2 4.38Å; I213-F216 HydrophobicContact CD1-CG 4.35Å; I213-F216 PolarHBondContact O-N 3.3Å; I213-W259 HydrophobicContact CD1-CZ2 4.34Å
214H89.8Confident93.2Very high150 Ų15049.7 Ų49.769%0.69425%0.253SS*.G310 helixtrans-68.4-10.7177.4-57.7-58.8000113.6I185 K211 W212I185-H214 HydrophobicContact CD1-CB 4.13Å; K211-H214 WeakPolarHBondContact O-CB 3.46Å; K211-H214 PolarHBondContact O-CD2 3.14Å; K211-H214 PolarHBondContact O-N 3.13Å; W212-H214 PolarHBondContact O-N 3.03Å; W212-H214 VanDerWaalsContact O-N 3.1Å
215C93.6Very high93.6Very high4 Ų449.4 Ų49.43%0.02725%0.25CC..G310 helixtrans-107.2-6.4-179.2-58.10000113.6K35 L37 I185 V200 W212 I213 E217 V219K35-C215 WeakPolarHBondContact CE-O 3.34Å; K35-C215 PolarHBondContact NZ-O 3Å; L37-C215 HydrophobicContact CD1-CB 3.78Å; I185-C215 WeakPolarHBondContact CD1-SG 3.47Å; I185-C215 VanDerWaalsContact CG2-SG 3.56Å; V200-C215 HydrophobicContact CG1-CB 4.15Å; W212-C215 WeakPolarHBondContact O-CB 3.27Å; W212-C215 PolarHBondContact O-N 3.2Å; I213-C215 PolarHBondContact O-N 3.47Å; I213-C215 VanDerWaalsContact O-N 3.16Å; C215-E217 PolarHBondContact O-N 3.5Å; C215-V219 WeakPolarHBondContact O-CG2 3.39Å
216F92.8Very high93.9Very high17 Ų1747.9 Ų47.98%0.07524%0.243CC..  trans-77.1-20.7-167.2-76.614.1000114.1L37 W212 I213 V219 I254 W259 F260L37-F216 HydrophobicContact CD2-CD1 3.76Å; L37-F216 HydrophobicContact CD2-CE1 3.86Å; W212-F216 HydrophobicContact CB-CE1 3.78Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.21Å; W212-F216 VanDerWaalsContact O-CE1 3.28Å; W212-F216 WeakPolarHBondContact O-CE1 3.5Å; I213-F216 HydrophobicContact CD1-CD2 3.82Å; I213-F216 HydrophobicContact CD1-CE2 4.38Å; I213-F216 HydrophobicContact CD1-CG 4.35Å; I213-F216 PolarHBondContact O-N 3.3Å; F216-V219 WeakPolarHBondContact O-CG2 3.42Å; F216-I254 HydrophobicContact CZ-CD1 4.4Å; F216-W259 HydrophobicContact CB-CD2 4.32Å; F216-W259 HydrophobicContact CB-CE3 4.19Å; F216-W259 HydrophobicContact CD2-CB 3.95Å; F216-W259 HydrophobicContact CD2-CD2 4.44Å; F216-W259 AromaticContact CD2-CG 3.91Å; F216-W259 HydrophobicContact CD2-CG 3.91Å; F216-F260 HydrophobicContact CB-CE1 4.17Å; F216-F260 HydrophobicContact CB-CZ 4.27Å; F216-F260 HydrophobicContact CD1-CE1 4.12Å; F216-F260 HydrophobicContact CD1-CE2 4.48Å; F216-F260 AromaticContact CD1-CZ 3.48Å; F216-F260 HydrophobicContact CD1-CZ 3.48Å; F216-F260 VanDerWaalsContact CD1-CZ 3.48Å; F216-F260 HydrophobicContact CD2-CE1 4.11Å; F216-F260 HydrophobicContact CD2-CE2 4.07Å; F216-F260 AromaticContact CD2-CZ 3.51Å; F216-F260 HydrophobicContact CD2-CZ 3.51Å; F216-F260 HydrophobicContact CE1-CE2 4.14Å; F216-F260 AromaticContact CE1-CZ 3.5Å; F216-F260 HydrophobicContact CE1-CZ 3.5Å; F216-F260 VanDerWaalsContact CE1-CZ 3.5Å; F216-F260 AromaticContact CE2-CE2 3.69Å; F216-F260 HydrophobicContact CE2-CE2 3.69Å; F216-F260 AromaticContact CE2-CZ 3.53Å; F216-F260 HydrophobicContact CE2-CZ 3.53Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.45Å; F216-F260 AromaticContact CG-CZ 3.49Å; F216-F260 HydrophobicContact CG-CZ 3.49Å; F216-F260 VanDerWaalsContact CG-CZ 3.49Å; F216-F260 AromaticContact CZ-CE2 3.72Å; F216-F260 HydrophobicContact CZ-CE2 3.72Å; F216-F260 AromaticContact CZ-CZ 3.52Å; F216-F260 HydrophobicContact CZ-CZ 3.52Å
217E91Very high94.1Very high161 Ų16144.5 Ų44.575%0.75223%0.23SC*.THydrogen-bonded Turntrans-67.8135177.8-173.1176.8-169.800111.8K35 C215 V219K35-E217 PolarHBondContact NZ-O 3.35Å; C215-E217 PolarHBondContact O-N 3.5Å; E217-V219 PolarHBondContact O-N 3.02Å
218G89.5Confident94.4Very high61 Ų6140.9 Ų40.963%0.62921%0.205SC*.THydrogen-bonded Turntrans64.522.8172.500000114.9K35 T220K35-G218 WeakPolarHBondContact CB-O 3.5Å; K35-G218 WeakPolarHBondContact CD-O 2.97Å; G218-T220 PolarHBondContact O-N 3.25Å
219V93.9Very high94.6Very high12 Ų1240.1 Ų40.17%0.07320%0.202CC..  trans-72.6120176.5177.50000109.8K35 L37 C215 F216 E217 A221 I222 T263K35-V219 HydrophobicContact CD-CG2 4.28Å; L37-V219 HydrophobicContact CB-CG1 3.79Å; L37-V219 HydrophobicContact CB-CG2 4.06Å; L37-V219 HydrophobicContact CD2-CG2 4.02Å; C215-V219 WeakPolarHBondContact O-CG2 3.39Å; F216-V219 WeakPolarHBondContact O-CG2 3.42Å; E217-V219 PolarHBondContact O-N 3.02Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; V219-I222 HydrophobicContact CG1-CG1 3.95Å; V219-T263 HydrophobicContact CB-CG2 4.45Å; V219-T263 HydrophobicContact CG1-CG2 3.78Å; V219-T263 PolarHBondContact O-OG1 3.03Å
220T92.7Very high94.7Very high25 Ų2538 Ų3815%0.15319%0.194CC..  trans-77.5-45.7177.5-480000111.3I34 K35 G218 S264 I344 N348I34-T220 HydrophobicContact CD1-CG2 3.97Å; I34-T220 HydrophobicContact CG2-CG2 3.97Å; K35-T220 PolarHBondContact N-OG1 3.35Å; K35-T220 WeakPolarHBondContact O-CB 2.9Å; K35-T220 PolarHBondContact O-N 2.86Å; G218-T220 PolarHBondContact O-N 3.25Å; T220-S264 PolarHBondContact O-N 3.49Å; T220-I344 HydrophobicContact CG2-CG2 4.04Å; T220-N348 WeakPolarHBondContact CG2-ND2 3.32Å; T220-N348 WeakPolarHBondContact CG2-OD1 3.4Å
221A95.1Very high95Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-147.8149.6177.400000111.6K35 L36 L37 V219 S264 I266 I344K35-A221 PolarHBondContact O-N 3.11Å; L36-A221 WeakPolarHBondContact CA-O 3.5Å; L36-A221 HydrophobicContact CD2-CB 3.84Å; L37-A221 PolarHBondContact N-O 3.21Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; A221-S264 CarbonylContact C-O 3.46Å; A221-S264 VanDerWaalsContact CA-O 3.25Å; A221-S264 WeakPolarHBondContact CA-O 3.14Å; A221-I266 HydrophobicContact CB-CD1 3.86Å; A221-I344 HydrophobicContact CB-CD1 3.7Å; A221-I344 HydrophobicContact CB-CG1 3.87Å
222I96.9Very high95.2Very high1 Ų126.6 Ų26.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-104.4131.8171.4-67.9165.8000108.1L37 L39 V219 F224 I254 F260 T263 S264 L265 I266L37-I222 HydrophobicContact CB-CG1 4.37Å; L37-I222 WeakPolarHBondContact O-CA 3.39Å; L39-I222 HydrophobicContact CB-CG2 4.31Å; L39-I222 HydrophobicContact CD1-CD1 4.3Å; L39-I222 HydrophobicContact CD1-CG2 3.96Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; V219-I222 HydrophobicContact CG1-CG1 3.95Å; I222-F224 HydrophobicContact CG2-CB 4.4Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.39Å; I222-F260 HydrophobicContact CD1-CB 4.06Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.41Å; I222-F260 VanDerWaalsContact CD1-CD2 3.41Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.57Å; I222-F260 HydrophobicContact CD1-CG 3.4Å; I222-F260 VanDerWaalsContact CD1-CG 3.4Å; I222-F260 HydrophobicContact CD1-CZ 3.68Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I222-T263 HydrophobicContact CD1-CG2 4.09Å; I222-T263 HydrophobicContact CG1-CG2 3.89Å; I222-S264 PolarHBondContact N-O 2.95Å; I222-L265 HydrophobicContact CB-CD1 3.7Å; I222-L265 HydrophobicContact CG2-CD1 3.6Å; I222-I266 PolarHBondContact O-N 3.2Å
223I97.9Very high95.3Very high0 Ų027.1 Ų27.10%015%0.149CC..EExtended strand (participates in β ladder)trans-104.3110.2163.4-61.8168.9000106.5L36 L37 L38 L39 I266 F268 F337L36-I223 HydrophobicContact CD1-CD1 4.15Å; L37-I223 PolarHBondContact O-N 3.2Å; L38-I223 WeakPolarHBondContact CA-O 3.38Å; L38-I223 HydrophobicContact CD2-CB 3.66Å; L38-I223 HydrophobicContact CD2-CD1 3.92Å; L38-I223 HydrophobicContact CD2-CG1 4.3Å; L38-I223 HydrophobicContact CD2-CG2 4.06Å; L39-I223 PolarHBondContact N-O 2.89Å; I223-I266 WeakPolarHBondContact CA-O 3.34Å; I223-I266 HydrophobicContact CG1-CB 4.23Å; I223-I266 HydrophobicContact CG1-CD1 4.19Å; I223-I266 HydrophobicContact CG1-CG2 4.46Å; I223-F268 HydrophobicContact CD1-CZ 4.4Å; I223-F268 HydrophobicContact CG2-CB 4.26Å; I223-F268 HydrophobicContact CG2-CD1 4Å; I223-F268 HydrophobicContact CG2-CD2 3.47Å; I223-F268 VanDerWaalsContact CG2-CD2 3.47Å; I223-F268 HydrophobicContact CG2-CE1 4.2Å; I223-F268 HydrophobicContact CG2-CE2 3.69Å; I223-F268 HydrophobicContact CG2-CG 3.63Å; I223-F268 HydrophobicContact CG2-CZ 4.05Å; I223-F337 HydrophobicContact CD1-CE2 4.4Å
224F98.6Very high95.6Very high0 Ų028 Ų280%015%0.15CC..EExtended strand (participates in β ladder)trans-95.5113175.9-166-83.3000109.8L39 I222 V226 L250 F251 I254 L265 I266 L267 F268 F308L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.3Å; L39-F224 CarbonylContact O-C 3.56Å; L39-F224 WeakPolarHBondContact O-CA 3.43Å; I222-F224 HydrophobicContact CG2-CB 4.4Å; F224-V226 HydrophobicContact CD1-CG2 3.83Å; F224-V226 HydrophobicContact CE1-CG2 3.91Å; F224-L250 HydrophobicContact CE2-CD2 4.04Å; F224-L250 HydrophobicContact CE2-CG 3.86Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 3.86Å; F224-L250 HydrophobicContact CZ-CG 3.83Å; F224-F251 HydrophobicContact CB-CD2 4.04Å; F224-F251 HydrophobicContact CB-CE2 4.04Å; F224-F251 HydrophobicContact CD1-CB 4.42Å; F224-F251 AromaticContact CD1-CD2 3.55Å; F224-F251 HydrophobicContact CD1-CD2 3.55Å; F224-F251 HydrophobicContact CD1-CE2 4.26Å; F224-F251 HydrophobicContact CD1-CG 4.4Å; F224-F251 AromaticContact CD2-CD2 3.88Å; F224-F251 HydrophobicContact CD2-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CB 3.86Å; F224-F251 AromaticContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CG 4.32Å; F224-F251 HydrophobicContact CE2-CB 4.3Å; F224-F251 HydrophobicContact CE2-CD2 4.17Å; F224-F251 AromaticContact CG-CD2 3.55Å; F224-F251 HydrophobicContact CG-CD2 3.55Å; F224-F251 HydrophobicContact CG-CE2 4.07Å; F224-F251 HydrophobicContact CZ-CB 3.79Å; F224-F251 HydrophobicContact CZ-CD2 4.17Å; F224-I254 HydrophobicContact CD2-CG1 4.49Å; F224-I254 HydrophobicContact CD2-CG2 4.4Å; F224-I254 HydrophobicContact CE2-CB 4.47Å; F224-I254 HydrophobicContact CE2-CG1 4.16Å; F224-L265 HydrophobicContact CB-CD1 4.49Å; F224-I266 PolarHBondContact N-O 3.28Å; F224-L267 HydrophobicContact CB-CD1 4.39Å; F224-L267 HydrophobicContact CD1-CD1 4.02Å; F224-F268 PolarHBondContact O-N 3.33Å; F224-F308 HydrophobicContact CE1-CE1 4.29Å
225C98.7Very high95.9Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-90.5129.3179.4-61.90000111.2L39 S44 K46 F268L39-C225 PolarHBondContact O-N 2.82Å; S44-C225 WeakPolarHBondContact CB-O 3.39Å; S44-C225 WeakPolarHBondContact OG-CB 3.26Å; S44-C225 PolarHBondContact OG-O 3.28Å; S44-C225 VanDerWaalsContact OG-O 3.07Å; K46-C225 HydrophobicContact CG-CB 4.03Å; C225-F268 WeakPolarHBondContact CA-O 3.22Å
226V98.8Very high95.8Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-113.5134.9176176.90000109.6F224 L228 M244 L267 F268 L269 N270 F308F224-V226 HydrophobicContact CD1-CG2 3.83Å; F224-V226 HydrophobicContact CE1-CG2 3.91Å; V226-L228 PolarHBondContact O-N 2.71Å; V226-M244 HydrophobicContact CG1-CE 4.47Å; V226-M244 HydrophobicContact CG1-SD 4.39Å; V226-L267 HydrophobicContact CG2-CD1 3.62Å; V226-F268 PolarHBondContact N-O 2.87Å; V226-L269 HydrophobicContact CB-CD2 4.16Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.38Å; V226-N270 WeakPolarHBondContact O-CA 3.44Å; V226-N270 WeakPolarHBondContact O-CB 3.28Å; V226-N270 PolarHBondContact O-N 2.92Å; V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.36Å; V226-F308 HydrophobicContact CG1-CE2 3.66Å; V226-F308 HydrophobicContact CG1-CZ 3.57Å; V226-F308 HydrophobicContact CG2-CD1 3.96Å; V226-F308 HydrophobicContact CG2-CD2 4.48Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.09Å; V226-F308 HydrophobicContact CG2-CG 4.45Å; V226-F308 HydrophobicContact CG2-CZ 3.61Å
227E98.4Very high95.8Very high11 Ų1129.5 Ų29.55%0.05115%0.152CC..EExtended strand (participates in β ladder)trans-85.397.6169.9-175.1176.5-148.800109.7S229 G230 R243 M244 K271E227-S229 VanDerWaalsContact C-N 3.33Å; E227-S229 PolarHBondContact O-N 3.12Å; E227-G230 PolarHBondContact O-N 2.81Å; E227-R243 IonicContact OE1-NH1 3.86Å; E227-R243 IonicContact OE2-NH1 3.9Å; E227-R243 PolarHBondContact OE2-NH1 2.88Å; E227-M244 WeakPolarHBondContact O-CE 3.47Å; E227-K271 HydrophobicContact CG-CD 3.98Å; E227-K271 IonicContact OE1-NZ 3.82Å; E227-K271 PolarHBondContact OE1-NZ 3.24Å
228L98.7Very high95.9Very high0 Ų024.5 Ų24.50%013%0.13CC..G310 helixtrans-59.8-43.6-179.7-76.9174.2000112.4V226 G230 Y231 L269 N270 K272 L275 I304 F324V226-L228 PolarHBondContact O-N 2.71Å; L228-G230 PolarHBondContact O-N 3.13Å; L228-Y231 WeakPolarHBondContact O-CD1 3.5Å; L228-L269 HydrophobicContact CD1-CB 3.97Å; L228-L269 WeakPolarHBondContact CD1-O 3.37Å; L228-L269 HydrophobicContact CD2-CB 4.02Å; L228-L269 HydrophobicContact CD2-CD2 3.95Å; L228-L269 HydrophobicContact CG-CB 4.04Å; L228-N270 VanDerWaalsContact CB-O 3.27Å; L228-N270 WeakPolarHBondContact CB-O 3.3Å; L228-N270 WeakPolarHBondContact CG-O 3.43Å; L228-N270 PolarHBondContact N-O 3.11Å; L228-K272 HydrophobicContact CD1-CB 4.06Å; L228-L275 HydrophobicContact CB-CB 3.97Å; L228-L275 HydrophobicContact CB-CD2 3.99Å; L228-L275 HydrophobicContact CB-CG 4.47Å; L228-L275 HydrophobicContact CD1-CD2 4.06Å; L228-L275 HydrophobicContact CD2-CD2 4.32Å; L228-L275 HydrophobicContact CG-CD2 4.38Å; L228-I304 HydrophobicContact CD2-CB 4.11Å; L228-I304 HydrophobicContact CD2-CD1 4.07Å; L228-I304 HydrophobicContact CD2-CG2 3.73Å; L228-F324 HydrophobicContact CD1-CD1 4Å; L228-F324 HydrophobicContact CD1-CE1 4.41Å
229S97.4Very high95.9Very high3 Ų325.8 Ų25.82%0.02112%0.123CC..G310 helixtrans-72.1-2-179.560.50000113.9E227 Y231 K278E227-S229 VanDerWaalsContact C-N 3.33Å; E227-S229 PolarHBondContact O-N 3.12Å; S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-Y231 PolarHBondContact O-N 3.49Å; S229-K278 PolarHBondContact O-NZ 3.28Å
230G97.3Very high95.9Very high1 Ų132.9 Ų32.91%0.0116%0.155CC..G310 helixtrans-86.38.9-177.300000114.8E227 L228 D232 L233E227-G230 PolarHBondContact O-N 2.81Å; L228-G230 PolarHBondContact O-N 3.13Å; G230-D232 VanDerWaalsContact C-N 3.29Å; G230-D232 PolarHBondContact O-N 3.18Å; G230-L233 PolarHBondContact O-N 3.38Å
231Y97.6Very high96.1Very high3 Ų333.6 Ų33.61%0.01216%0.16CC..THydrogen-bonded Turntrans-64-30.2-174.265.6-90000113.9L228 S229 L275 K278 I279 I282 L284 C287L228-Y231 WeakPolarHBondContact O-CD1 3.5Å; S229-Y231 VanDerWaalsContact C-N 3.31Å; S229-Y231 PolarHBondContact O-N 3.49Å; Y231-L275 HydrophobicContact CD1-CD1 3.99Å; Y231-L275 HydrophobicContact CE1-CD1 3.66Å; Y231-K278 HydrophobicContact CE1-CB 4.4Å; Y231-K278 HydrophobicContact CE1-CD 3.75Å; Y231-K278 HydrophobicContact CE1-CG 4.21Å; Y231-K278 WeakPolarHBondContact OH-CG 3.42Å; Y231-K278 PolarHBondContact OH-O 2.93Å; Y231-I279 WeakPolarHBondContact OH-CA 3.46Å; Y231-I279 PolarHBondContact OH-N 3.32Å; Y231-I282 HydrophobicContact CE2-CB 4.29Å; Y231-I282 HydrophobicContact CE2-CG2 3.91Å; Y231-I282 WeakPolarHBondContact CE2-O 3.28Å; Y231-I282 PolarHBondContact OH-O 2.97Å; Y231-L284 HydrophobicContact CD2-CD1 4.1Å; Y231-L284 HydrophobicContact CG-CD1 4.03Å; Y231-C287 VanDerWaalsContact O-CB 3.28Å; Y231-C287 WeakPolarHBondContact O-CB 3.45Å
232D97Very high96.2Very high21 Ų2135.2 Ų35.211%0.11217%0.171CC..THydrogen-bonded Turntrans-97.46.4177.968.1-33.6000113.3S145 G230 K278 I282S145-D232 WeakPolarHBondContact CB-OD2 3.21Å; G230-D232 VanDerWaalsContact C-N 3.29Å; G230-D232 PolarHBondContact O-N 3.18Å; D232-K278 WeakPolarHBondContact OD1-CD 3.43Å; D232-K278 IonicContact OD1-NZ 3.51Å; D232-K278 PolarHBondContact OD1-NZ 3.33Å; D232-K278 IonicContact OD2-NZ 2.76Å; D232-K278 PolarHBondContact OD2-NZ 3.46Å; D232-I282 HydrophobicContact CB-CG2 4.04Å; D232-I282 WeakPolarHBondContact OD2-CD1 3.42Å
233L96.9Very high96.2Very high19 Ų1936 Ų3610%0.09917%0.174CC..PPolyproline II helixtrans-103.5153-174-57.7-175.2000112.3G230 R243G230-L233 PolarHBondContact O-N 3.38Å; L233-R243 HydrophobicContact CB-CB 4.46Å; L233-R243 HydrophobicContact CB-CG 3.88Å; L233-R243 PolarHBondContact O-N 3.08Å
234K96.2Very high96.2Very high100 Ų10036.1 Ų36.144%0.43517%0.174SC..BIsolated β-bridgetrans-102.9156.1171.2-58.5180-170.9169.30111.8H148 N239 T241 R243H148-K234 PolarHBondContact CE1-O 3.27Å; K234-N239 VanDerWaalsContact CD-O 3.23Å; K234-N239 WeakPolarHBondContact CD-O 3.36Å; K234-T241 CarbonylContact C-O 3.49Å; K234-T241 VanDerWaalsContact CA-O 3.27Å; K234-T241 WeakPolarHBondContact CA-O 3.23Å; K234-R243 VanDerWaalsContact C-CG 3.44Å; K234-R243 WeakPolarHBondContact O-CG 3.46Å; K234-R243 PolarHBondContact O-NE 2.89Å
235L94.8Very high96.1Very high1 Ų138.4 Ų38.41%0.00519%0.193CC..PPolyproline II helixtrans-62.3142.5172-70.8-176.8000110.7H148 R206 E237 N239 T241 R243 E246H148-L235 PolarHBondContact CE1-O 2.7Å; H148-L235 PolarHBondContact NE2-O 2.67Å; R206-L235 VanDerWaalsContact CZ-CD1 3.44Å; R206-L235 VanDerWaalsContact NH2-CD1 3.33Å; L235-E237 PolarHBondContact O-N 2.82Å; L235-N239 VanDerWaalsContact O-CA 3.27Å; L235-N239 WeakPolarHBondContact O-CA 3.24Å; L235-N239 PolarHBondContact O-N 3.45Å; L235-T241 HydrophobicContact CD1-CG2 3.96Å; L235-T241 HydrophobicContact CG-CG2 4.42Å; L235-T241 PolarHBondContact N-O 3.05Å; L235-R243 HydrophobicContact CD2-CG 4.15Å; L235-E246 HydrophobicContact CD1-CB 3.89Å; L235-E246 HydrophobicContact CD1-CG 3.73Å; L235-E246 HydrophobicContact CD2-CB 4.06Å; L235-E246 HydrophobicContact CD2-CG 4Å; L235-E246 HydrophobicContact CG-CB 4.21Å; L235-E246 HydrophobicContact CG-CG 4.36Å
236Y92Very high96.1Very high142 Ų14238.5 Ų38.556%0.55719%0.194SC*.THydrogen-bonded Turntrans-66.6-33173179.5-93.6000111.3H148 D238H148-Y236 HydrophobicContact CB-CD2 3.97Å; H148-Y236 HydrophobicContact CB-CE2 4.49Å; H148-Y236 AromaticContact CD2-CD2 3.49Å; H148-Y236 VanDerWaalsContact CD2-CD2 3.49Å; H148-Y236 WeakPolarHBondContact CD2-CD2 3.44Å; H148-Y236 AromaticContact CG-CD2 3.71Å; H148-Y236 WeakPolarHBondContact NE2-CA 3.03Å; Y236-D238 VanDerWaalsContact C-N 3.34Å; Y236-D238 PolarHBondContact O-N 2.83Å
237E91.9Very high96.1Very high59 Ų5938.6 Ų38.628%0.27620%0.195SC..THydrogen-bonded Turntrans-66.7-29.2-172.3-6397.5134.200114.6Q205 R206 L235Q205-E237 WeakPolarHBondContact CA-OE1 3.39Å; R206-E237 PolarHBondContact N-OE1 3.46Å; L235-E237 PolarHBondContact O-N 2.82Å
238D92.9Very high96.1Very high55 Ų5539.4 Ų39.429%0.29420%0.199SC..THydrogen-bonded Turntrans-136.6-7.2-178.363.231.4000114.7R206 Y236 Q240 T241R206-D238 IonicContact CZ-OD2 2.69Å; R206-D238 IonicContact NH1-OD2 3.74Å; R206-D238 PolarHBondContact NH1-OD2 2.87Å; R206-D238 IonicContact NH2-OD2 3.5Å; Y236-D238 VanDerWaalsContact C-N 3.34Å; Y236-D238 PolarHBondContact O-N 2.83Å; D238-Q240 PolarHBondContact O-N 2.95Å; D238-Q240 PolarHBondContact OD1-N 3.24Å; D238-T241 PolarHBondContact OD1-N 3.18Å; D238-T241 PolarHBondContact OD1-OG1 3.05Å; D238-T241 WeakPolarHBondContact OD2-CB 3.3Å; D238-T241 PolarHBondContact OD2-OG1 3.17Å
239N90.9Very high96.1Very high89 Ų8947.4 Ų47.448%0.47623%0.229SC..SBendtrans49.225.9-177-162.527.5000114.6H148 K234 L235H148-N239 PolarHBondContact NE2-OD1 2.91Å; K234-N239 VanDerWaalsContact CD-O 3.23Å; K234-N239 WeakPolarHBondContact CD-O 3.36Å; L235-N239 VanDerWaalsContact O-CA 3.27Å; L235-N239 WeakPolarHBondContact O-CA 3.24Å; L235-N239 PolarHBondContact O-N 3.45Å
240Q94.2Very high96.1Very high161 Ų16147.7 Ų47.775%0.75223%0.231SC*.SBendtrans-131.6-46.9-175.8-172.5179.914.300111.4D238D238-Q240 PolarHBondContact O-N 2.95Å; D238-Q240 PolarHBondContact OD1-N 3.24Å
241T95.8Very high96.2Very high40 Ų4047.7 Ų47.725%0.24523%0.23CC..SBendtrans-72.9130.7-177.2-55.40000110.4R206 K234 L235 D238 R243 E246R206-T241 PolarHBondContact NH2-OG1 2.9Å; K234-T241 CarbonylContact C-O 3.49Å; K234-T241 VanDerWaalsContact CA-O 3.27Å; K234-T241 WeakPolarHBondContact CA-O 3.23Å; L235-T241 HydrophobicContact CD1-CG2 3.96Å; L235-T241 HydrophobicContact CG-CG2 4.42Å; L235-T241 PolarHBondContact N-O 3.05Å; D238-T241 PolarHBondContact OD1-N 3.18Å; D238-T241 PolarHBondContact OD1-OG1 3.05Å; D238-T241 WeakPolarHBondContact OD2-CB 3.3Å; D238-T241 PolarHBondContact OD2-OG1 3.17Å; T241-R243 PolarHBondContact O-N 3.33Å; T241-E246 HydrophobicContact CG2-CB 4.19Å
242S96.6Very high96.2Very high34 Ų3449.4 Ų49.424%0.23824%0.24CC..BIsolated β-bridgetrans-59.3132.5169.8162.20000110.8M244 A245 E246S242-M244 VanDerWaalsContact C-N 3.27Å; S242-M244 PolarHBondContact O-N 2.69Å; S242-M244 PolarHBondContact OG-N 3.34Å; S242-A245 PolarHBondContact O-N 3.41Å; S242-A245 PolarHBondContact OG-N 2.74Å; S242-E246 PolarHBondContact O-N 3.04Å
243R97Very high96.2Very high16 Ų1651.7 Ų51.76%0.0626%0.257CS..Hα-helixtrans-60-40.1177.1-66.7-163.3-171.9174.43.6111.8E227 L233 K234 L235 T241 E246 S247E227-R243 IonicContact OE1-NH1 3.86Å; E227-R243 IonicContact OE2-NH1 3.9Å; E227-R243 PolarHBondContact OE2-NH1 2.88Å; L233-R243 HydrophobicContact CB-CB 4.46Å; L233-R243 HydrophobicContact CB-CG 3.88Å; L233-R243 PolarHBondContact O-N 3.08Å; K234-R243 VanDerWaalsContact C-CG 3.44Å; K234-R243 WeakPolarHBondContact O-CG 3.46Å; K234-R243 PolarHBondContact O-NE 2.89Å; L235-R243 HydrophobicContact CD2-CG 4.15Å; T241-R243 PolarHBondContact O-N 3.33Å; R243-E246 PolarHBondContact O-N 2.97Å; R243-S247 WeakPolarHBondContact O-CB 3.41Å; R243-S247 PolarHBondContact O-N 3.33Å
244M98.2Very high96.2Very high3 Ų351.1 Ų51.12%0.01525%0.254CS..Hα-helixtrans-67.5-42.7179.2-174.960.970.300111.3V226 E227 S242 E246 S247 L248 C287 F288 I304 F308V226-M244 HydrophobicContact CG1-CE 4.47Å; V226-M244 HydrophobicContact CG1-SD 4.39Å; E227-M244 WeakPolarHBondContact O-CE 3.47Å; S242-M244 VanDerWaalsContact C-N 3.27Å; S242-M244 PolarHBondContact O-N 2.69Å; S242-M244 PolarHBondContact OG-N 3.34Å; M244-E246 VanDerWaalsContact C-N 3.34Å; M244-E246 PolarHBondContact O-N 3.25Å; M244-S247 WeakPolarHBondContact O-CB 3.27Å; M244-S247 PolarHBondContact O-N 2.93Å; M244-S247 VanDerWaalsContact O-N 3.15Å; M244-L248 HydrophobicContact CG-CD1 4.31Å; M244-L248 WeakPolarHBondContact O-CG 3.3Å; M244-L248 PolarHBondContact O-N 3.35Å; M244-C287 VanDerWaalsContact CB-SG 3.56Å; M244-F288 HydrophobicContact CG-CE2 3.86Å; M244-F288 HydrophobicContact CG-CZ 3.55Å; M244-F288 HydrophobicContact SD-CZ 4.36Å; M244-I304 HydrophobicContact CE-CD1 4.38Å; M244-I304 HydrophobicContact CE-CG2 4.14Å; M244-I304 HydrophobicContact SD-CG2 4.2Å; M244-F308 HydrophobicContact SD-CE2 3.72Å; M244-F308 HydrophobicContact SD-CZ 3.95Å
245A98Very high96.2Very high48 Ų4846.4 Ų46.440%0.39723%0.234SC..Hα-helixtrans-61.5-41.5175.100000112.1S242 L248 R249S242-A245 PolarHBondContact O-N 3.41Å; S242-A245 PolarHBondContact OG-N 2.74Å; A245-L248 PolarHBondContact O-N 3.39Å; A245-R249 WeakPolarHBondContact O-CB 3.31Å; A245-R249 PolarHBondContact O-N 2.65Å
246E98Very high96.3Very high2 Ų247.8 Ų47.81%0.00924%0.241CC..Hα-helixtrans-63.1-41.5173.2179.369.5179.800112T41 R206 R209 L235 T241 S242 R243 M244 R249 L250T41-E246 HydrophobicContact CG2-CG 3.94Å; R206-E246 IonicContact CZ-OE1 2.71Å; R206-E246 IonicContact CZ-OE2 3.22Å; R206-E246 IonicContact NE-OE1 2.87Å; R206-E246 PolarHBondContact NE-OE1 3.18Å; R206-E246 VanDerWaalsContact NE-OE1 3.1Å; R206-E246 IonicContact NE-OE2 3.15Å; R206-E246 IonicContact NH2-OE1 3.08Å; R206-E246 IonicContact NH2-OE2 2.68Å; R206-E246 PolarHBondContact NH2-OE2 2.94Å; R209-E246 IonicContact CZ-OE1 2.79Å; R209-E246 IonicContact NH1-OE1 3.24Å; R209-E246 PolarHBondContact NH1-OE1 2.77Å; R209-E246 IonicContact NH2-OE1 3.13Å; R209-E246 PolarHBondContact NH2-OE1 3.42Å; L235-E246 HydrophobicContact CD1-CB 3.89Å; L235-E246 HydrophobicContact CD1-CG 3.73Å; L235-E246 HydrophobicContact CD2-CB 4.06Å; L235-E246 HydrophobicContact CD2-CG 4Å; L235-E246 HydrophobicContact CG-CB 4.21Å; L235-E246 HydrophobicContact CG-CG 4.36Å; T241-E246 HydrophobicContact CG2-CB 4.19Å; S242-E246 PolarHBondContact O-N 3.04Å; R243-E246 PolarHBondContact O-N 2.97Å; M244-E246 VanDerWaalsContact C-N 3.34Å; M244-E246 PolarHBondContact O-N 3.25Å; E246-R249 PolarHBondContact O-N 3.44Å; E246-L250 WeakPolarHBondContact O-CB 3.21Å; E246-L250 PolarHBondContact O-N 3.31Å
247S98.5Very high96.4Very high3 Ų343 Ų432%0.02123%0.225CC..Hα-helixtrans-63.1-44.7178.2-168.20000111.7R243 M244 L250 F251R243-S247 WeakPolarHBondContact O-CB 3.41Å; R243-S247 PolarHBondContact O-N 3.33Å; M244-S247 WeakPolarHBondContact O-CB 3.27Å; M244-S247 PolarHBondContact O-N 2.93Å; M244-S247 VanDerWaalsContact O-N 3.15Å; S247-L250 PolarHBondContact O-N 3.17Å; S247-F251 WeakPolarHBondContact O-CB 3.03Å; S247-F251 PolarHBondContact O-N 2.85Å
248L98.7Very high96.4Very high27 Ų2746.5 Ų46.514%0.14125%0.246CC..Hα-helixtrans-60.9-50.3174.9-74.2164.1000111.5M244 A245 L250 F251 D252 F288 Q307 F308 L311M244-L248 HydrophobicContact CG-CD1 4.31Å; M244-L248 WeakPolarHBondContact O-CG 3.3Å; M244-L248 PolarHBondContact O-N 3.35Å; A245-L248 PolarHBondContact O-N 3.39Å; L248-L250 VanDerWaalsContact C-N 3.28Å; L248-L250 PolarHBondContact O-N 3.22Å; L248-F251 PolarHBondContact O-N 3.34Å; L248-F251 VanDerWaalsContact O-N 3.15Å; L248-D252 PolarHBondContact O-N 3.21Å; L248-F288 HydrophobicContact CD1-CE1 3.85Å; L248-F288 HydrophobicContact CD1-CZ 4.07Å; L248-Q307 HydrophobicContact CD2-CB 4Å; L248-F308 HydrophobicContact CD2-CD1 4.02Å; L248-F308 HydrophobicContact CD2-CD2 3.7Å; L248-F308 HydrophobicContact CD2-CE1 3.93Å; L248-F308 HydrophobicContact CD2-CE2 3.6Å; L248-F308 HydrophobicContact CD2-CG 3.89Å; L248-F308 HydrophobicContact CD2-CZ 3.71Å; L248-F308 HydrophobicContact CG-CE1 4.29Å; L248-F308 HydrophobicContact CG-CE2 4.07Å; L248-F308 HydrophobicContact CG-CZ 3.86Å; L248-L311 HydrophobicContact CB-CD1 4.13Å; L248-L311 HydrophobicContact CD2-CD1 3.73Å; L248-L311 VanDerWaalsContact O-CD1 3.31Å; L248-L311 WeakPolarHBondContact O-CD1 3.41Å
249R98.2Very high96.4Very high168 Ų16851.2 Ų51.263%0.63426%0.26SS*.Hα-helixtrans-57.9-42.9177.1177.8-173.6140.9169.4-4.1111.7A245 E246 S253A245-R249 WeakPolarHBondContact O-CB 3.31Å; A245-R249 PolarHBondContact O-N 2.65Å; E246-R249 PolarHBondContact O-N 3.44Å; R249-S253 PolarHBondContact O-N 3.17Å
250L97.9Very high96.5Very high10 Ų1047 Ų475%0.05224%0.237CC..Hα-helixtrans-65-44177.7179.462.5000110.9T41 W212 F224 E246 S247 L248 S253 I254T41-L250 HydrophobicContact CG2-CD2 4.05Å; W212-L250 HydrophobicContact CH2-CD1 3.97Å; W212-L250 HydrophobicContact CH2-CD2 3.83Å; W212-L250 HydrophobicContact CH2-CG 4.39Å; W212-L250 HydrophobicContact CZ3-CD1 3.73Å; W212-L250 HydrophobicContact CZ3-CD2 4.35Å; W212-L250 HydrophobicContact CZ3-CG 4.44Å; F224-L250 HydrophobicContact CE2-CD2 4.04Å; F224-L250 HydrophobicContact CE2-CG 3.86Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 3.86Å; F224-L250 HydrophobicContact CZ-CG 3.83Å; E246-L250 WeakPolarHBondContact O-CB 3.21Å; E246-L250 PolarHBondContact O-N 3.31Å; S247-L250 PolarHBondContact O-N 3.17Å; L248-L250 VanDerWaalsContact C-N 3.28Å; L248-L250 PolarHBondContact O-N 3.22Å; L250-S253 PolarHBondContact O-N 3.36Å; L250-I254 HydrophobicContact CD1-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CG1 3.36Å; L250-I254 PolarHBondContact O-N 3.11Å; L250-I254 VanDerWaalsContact O-N 3.15Å
251F98.4Very high96.2Very high0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-62.7-45.9178-174.2-106.3000112.1F224 S247 L248 S253 I254 C255 L265 L267 F308 L311 I320F224-F251 HydrophobicContact CB-CD2 4.04Å; F224-F251 HydrophobicContact CB-CE2 4.04Å; F224-F251 HydrophobicContact CD1-CB 4.42Å; F224-F251 AromaticContact CD1-CD2 3.55Å; F224-F251 HydrophobicContact CD1-CD2 3.55Å; F224-F251 HydrophobicContact CD1-CE2 4.26Å; F224-F251 HydrophobicContact CD1-CG 4.4Å; F224-F251 AromaticContact CD2-CD2 3.88Å; F224-F251 HydrophobicContact CD2-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CB 3.86Å; F224-F251 AromaticContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CD2 3.88Å; F224-F251 HydrophobicContact CE1-CG 4.32Å; F224-F251 HydrophobicContact CE2-CB 4.3Å; F224-F251 HydrophobicContact CE2-CD2 4.17Å; F224-F251 AromaticContact CG-CD2 3.55Å; F224-F251 HydrophobicContact CG-CD2 3.55Å; F224-F251 HydrophobicContact CG-CE2 4.07Å; F224-F251 HydrophobicContact CZ-CB 3.79Å; F224-F251 HydrophobicContact CZ-CD2 4.17Å; S247-F251 WeakPolarHBondContact O-CB 3.03Å; S247-F251 PolarHBondContact O-N 2.85Å; L248-F251 PolarHBondContact O-N 3.34Å; L248-F251 VanDerWaalsContact O-N 3.15Å; F251-S253 PolarHBondContact O-N 3.2Å; F251-I254 PolarHBondContact O-N 2.83Å; F251-C255 HydrophobicContact CD1-CB 4.3Å; F251-C255 HydrophobicContact CE1-CB 3.89Å; F251-C255 HydrophobicContact CE2-CB 4.36Å; F251-C255 HydrophobicContact CZ-CB 3.95Å; F251-C255 PolarHBondContact O-N 3.41Å; F251-C255 PolarHBondContact O-SG 3.47Å; F251-L265 HydrophobicContact CE2-CD1 4.34Å; F251-L265 HydrophobicContact CE2-CD2 3.81Å; F251-L265 HydrophobicContact CE2-CG 4.22Å; F251-L265 HydrophobicContact CZ-CD2 3.73Å; F251-L265 HydrophobicContact CZ-CG 4.39Å; F251-L267 HydrophobicContact CD2-CD1 4.15Å; F251-L267 HydrophobicContact CE2-CD1 3.81Å; F251-L267 HydrophobicContact CZ-CD1 4.23Å; F251-F308 HydrophobicContact CB-CD1 3.65Å; F251-F308 HydrophobicContact CB-CE1 3.77Å; F251-F308 HydrophobicContact CD1-CB 4.2Å; F251-F308 AromaticContact CD1-CD1 3.71Å; F251-F308 HydrophobicContact CD1-CD1 3.71Å; F251-F308 HydrophobicContact CD1-CG 4.45Å; F251-F308 HydrophobicContact CD2-CD1 4.25Å; F251-F308 HydrophobicContact CE1-CB 4.21Å; F251-F308 HydrophobicContact CE1-CD1 4.41Å; F251-F308 WeakPolarHBondContact CE1-O 3.46Å; F251-F308 AromaticContact CG-CD1 3.6Å; F251-F308 HydrophobicContact CG-CD1 3.6Å; F251-F308 HydrophobicContact CG-CE1 4.21Å; F251-L311 HydrophobicContact CB-CD1 4.48Å; F251-L311 HydrophobicContact CD1-CB 4.24Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-I320 HydrophobicContact CE1-CD1 3.76Å; F251-I320 HydrophobicContact CZ-CD1 3.61Å; F251-I320 HydrophobicContact CZ-CG1 4.3Å; F251-I320 HydrophobicContact CZ-CG2 4.35Å
252D98.3Very high95.8Very high40 Ų4048.5 Ų48.521%0.21425%0.248CC..Hα-helixtrans-52.5-43.3174.7178.651.5000111.6L248 I254 N256 L311 R313L248-D252 PolarHBondContact O-N 3.21Å; D252-I254 VanDerWaalsContact C-N 3.31Å; D252-I254 PolarHBondContact O-N 3.17Å; D252-N256 WeakPolarHBondContact O-CB 3.34Å; D252-N256 PolarHBondContact O-N 3.47Å; D252-N256 PolarHBondContact O-ND2 3.31Å; D252-N256 VanDerWaalsContact O-ND2 3.09Å; D252-N256 PolarHBondContact OD1-ND2 3.34Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.15Å; D252-L311 HydrophobicContact CB-CD2 4.2Å; D252-L311 HydrophobicContact CB-CG 4.45Å; D252-R313 IonicContact OD1-CZ 3.98Å; D252-R313 IonicContact OD1-NE 2.74Å; D252-R313 IonicContact OD1-NH2 3.93Å; D252-R313 PolarHBondContact OD1-NH2 3.22Å; D252-R313 IonicContact OD2-NH2 2.65Å; D252-R313 PolarHBondContact OD2-NH2 2.68Å
253S96.9Very high95.6Very high69 Ų6947.5 Ų47.548%0.48324%0.24SC..Hα-helixtrans-68.2-26.5177.1-178.90000113.9R249 L250 F251 N257R249-S253 PolarHBondContact O-N 3.17Å; L250-S253 PolarHBondContact O-N 3.36Å; F251-S253 PolarHBondContact O-N 3.2Å; S253-N257 WeakPolarHBondContact O-CB 3.3Å
254I96.2Very high95.4Very high6 Ų647.7 Ų47.73%0.03124%0.244CC..Hα-helixtrans-90.3-48.5-178.4-67.2-58.1000110.8L39 W212 F216 I222 F224 L250 F251 D252 N256 N257 F260L39-I254 HydrophobicContact CD1-CD1 3.76Å; L39-I254 HydrophobicContact CD1-CG1 4.09Å; L39-I254 HydrophobicContact CD1-CG2 3.87Å; W212-I254 HydrophobicContact CE3-CD1 4.46Å; W212-I254 HydrophobicContact CZ3-CD1 4.28Å; F216-I254 HydrophobicContact CZ-CD1 4.4Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.49Å; F224-I254 HydrophobicContact CD2-CG2 4.4Å; F224-I254 HydrophobicContact CE2-CB 4.47Å; F224-I254 HydrophobicContact CE2-CG1 4.16Å; L250-I254 HydrophobicContact CD1-CG1 4.49Å; L250-I254 WeakPolarHBondContact O-CG1 3.36Å; L250-I254 PolarHBondContact O-N 3.11Å; L250-I254 VanDerWaalsContact O-N 3.15Å; F251-I254 PolarHBondContact O-N 2.83Å; D252-I254 VanDerWaalsContact C-N 3.31Å; D252-I254 PolarHBondContact O-N 3.17Å; I254-N256 PolarHBondContact O-N 3.1Å; I254-N257 WeakPolarHBondContact O-CB 3.28Å; I254-N257 PolarHBondContact O-N 3.33Å; I254-N257 VanDerWaalsContact O-N 3.15Å; I254-F260 HydrophobicContact CD1-CE2 4.16Å; I254-F260 HydrophobicContact CG2-CD2 4.18Å; I254-F260 HydrophobicContact CG2-CE2 4.22Å
255C96.8Very high95.3Very high1 Ų147.6 Ų47.61%0.00724%0.243CC..Hα-helixtrans-63.9-32.7-176.170.90000111.7F251 L265 K318F251-C255 HydrophobicContact CD1-CB 4.3Å; F251-C255 HydrophobicContact CE1-CB 3.89Å; F251-C255 HydrophobicContact CE2-CB 4.36Å; F251-C255 HydrophobicContact CZ-CB 3.95Å; F251-C255 PolarHBondContact O-N 3.41Å; F251-C255 PolarHBondContact O-SG 3.47Å; C255-L265 HydrophobicContact CB-CD2 3.39Å; C255-K318 PolarHBondContact O-NZ 3.09Å
256N96.6Very high95.3Very high30 Ų3045.3 Ų45.316%0.1623%0.225CC..THydrogen-bonded Turntrans-97.811.8178.6-58.6-54.9000113.9D252 I254 L311 R313D252-N256 WeakPolarHBondContact O-CB 3.34Å; D252-N256 PolarHBondContact O-N 3.47Å; D252-N256 PolarHBondContact O-ND2 3.31Å; D252-N256 VanDerWaalsContact O-ND2 3.09Å; D252-N256 PolarHBondContact OD1-ND2 3.34Å; I254-N256 PolarHBondContact O-N 3.1Å; N256-L311 PolarHBondContact ND2-O 3.36Å; N256-R313 PolarHBondContact ND2-NE 3.17Å; N256-R313 WeakPolarHBondContact OD1-CB 3.42Å; N256-R313 PolarHBondContact OD1-N 3.15Å
257N93.9Very high95.3Very high41 Ų4145.2 Ų45.222%0.21922%0.224CC..  trans-77.2134.8-179.8-159.6-56.3000112.4S253 I254 W259 F260S253-N257 WeakPolarHBondContact O-CB 3.3Å; I254-N257 WeakPolarHBondContact O-CB 3.28Å; I254-N257 PolarHBondContact O-N 3.33Å; I254-N257 VanDerWaalsContact O-N 3.15Å; N257-W259 PolarHBondContact O-N 3.45Å; N257-W259 WeakPolarHBondContact OD1-CB 3.42Å; N257-W259 PolarHBondContact OD1-N 2.9Å; N257-F260 HydrophobicContact CB-CD2 3.73Å; N257-F260 HydrophobicContact CB-CE2 4.34Å; N257-F260 PolarHBondContact O-N 3.44Å
258N92.6Very high95.3Very high134 Ų13445.2 Ų45.272%0.71722%0.224SC*.G310 helixtrans-62.5-27178.1-71.3-17.9000114.1F260 I261N258-F260 PolarHBondContact O-N 3.34Å; N258-I261 HydrophobicContact CB-CD1 4.15Å; N258-I261 WeakPolarHBondContact O-CD1 3.44Å; N258-I261 WeakPolarHBondContact O-CG1 3.13Å
259W92.2Very high95.3Very high154 Ų15443.9 Ų43.958%0.58322%0.217SC*.G310 helixtrans-62.9-20.6173.1-78.494.5000113I213 F216 N257I213-W259 HydrophobicContact CD1-CZ2 4.34Å; F216-W259 HydrophobicContact CB-CD2 4.32Å; F216-W259 HydrophobicContact CB-CE3 4.19Å; F216-W259 HydrophobicContact CD2-CB 3.95Å; F216-W259 HydrophobicContact CD2-CD2 4.44Å; F216-W259 AromaticContact CD2-CG 3.91Å; F216-W259 HydrophobicContact CD2-CG 3.91Å; N257-W259 PolarHBondContact O-N 3.45Å; N257-W259 WeakPolarHBondContact OD1-CB 3.42Å; N257-W259 PolarHBondContact OD1-N 2.9Å
260F92.8Very high95.3Very high0 Ų036 Ų360%019%0.188CC..G310 helixtrans-12024.4-170.6-55.1-44.5000113.3L37 F216 I222 I254 N257 N258 N262 T263 K318L37-F260 HydrophobicContact CD2-CZ 4.18Å; F216-F260 HydrophobicContact CB-CE1 4.17Å; F216-F260 HydrophobicContact CB-CZ 4.27Å; F216-F260 HydrophobicContact CD1-CE1 4.12Å; F216-F260 HydrophobicContact CD1-CE2 4.48Å; F216-F260 AromaticContact CD1-CZ 3.48Å; F216-F260 HydrophobicContact CD1-CZ 3.48Å; F216-F260 VanDerWaalsContact CD1-CZ 3.48Å; F216-F260 HydrophobicContact CD2-CE1 4.11Å; F216-F260 HydrophobicContact CD2-CE2 4.07Å; F216-F260 AromaticContact CD2-CZ 3.51Å; F216-F260 HydrophobicContact CD2-CZ 3.51Å; F216-F260 HydrophobicContact CE1-CE2 4.14Å; F216-F260 AromaticContact CE1-CZ 3.5Å; F216-F260 HydrophobicContact CE1-CZ 3.5Å; F216-F260 VanDerWaalsContact CE1-CZ 3.5Å; F216-F260 AromaticContact CE2-CE2 3.69Å; F216-F260 HydrophobicContact CE2-CE2 3.69Å; F216-F260 AromaticContact CE2-CZ 3.53Å; F216-F260 HydrophobicContact CE2-CZ 3.53Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.45Å; F216-F260 AromaticContact CG-CZ 3.49Å; F216-F260 HydrophobicContact CG-CZ 3.49Å; F216-F260 VanDerWaalsContact CG-CZ 3.49Å; F216-F260 AromaticContact CZ-CE2 3.72Å; F216-F260 HydrophobicContact CZ-CE2 3.72Å; F216-F260 AromaticContact CZ-CZ 3.52Å; F216-F260 HydrophobicContact CZ-CZ 3.52Å; I222-F260 HydrophobicContact CD1-CB 4.06Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.41Å; I222-F260 VanDerWaalsContact CD1-CD2 3.41Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.57Å; I222-F260 HydrophobicContact CD1-CG 3.4Å; I222-F260 VanDerWaalsContact CD1-CG 3.4Å; I222-F260 HydrophobicContact CD1-CZ 3.68Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I254-F260 HydrophobicContact CD1-CE2 4.16Å; I254-F260 HydrophobicContact CG2-CD2 4.18Å; I254-F260 HydrophobicContact CG2-CE2 4.22Å; N257-F260 HydrophobicContact CB-CD2 3.73Å; N257-F260 HydrophobicContact CB-CE2 4.34Å; N257-F260 PolarHBondContact O-N 3.44Å; N258-F260 PolarHBondContact O-N 3.34Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 3.17Å; F260-T263 HydrophobicContact CD1-CG2 4.39Å; F260-T263 PolarHBondContact O-N 3.18Å; F260-K318 PolarHBondContact O-NZ 3.19Å
261I89.5Confident95.3Very high100 Ų10036.5 Ų36.551%0.51319%0.189SC..THydrogen-bonded Turntrans-58.6-46.6179.9-68.2165.3000110.6N258N258-I261 HydrophobicContact CB-CD1 4.15Å; N258-I261 WeakPolarHBondContact O-CD1 3.44Å; N258-I261 WeakPolarHBondContact O-CG1 3.13Å
262N86.9Confident95.3Very high133 Ų13339.1 Ų39.171%0.71120%0.2SC*.THydrogen-bonded Turntrans-97.511.5-178.2-60.7-37.7000113.2F260F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 3.17Å
263T92Very high95.3Very high13 Ų1340.1 Ų40.18%0.0821%0.206CC..SBendtrans-95.9126.9-176.8-58.30000109.7V219 I222 F260 L265V219-T263 HydrophobicContact CB-CG2 4.45Å; V219-T263 HydrophobicContact CG1-CG2 3.78Å; V219-T263 PolarHBondContact O-OG1 3.03Å; I222-T263 HydrophobicContact CD1-CG2 4.09Å; I222-T263 HydrophobicContact CG1-CG2 3.89Å; F260-T263 HydrophobicContact CD1-CG2 4.39Å; F260-T263 PolarHBondContact O-N 3.18Å; T263-L265 PolarHBondContact O-N 3.18Å
264S92.7Very high95.4Very high19 Ų1938.8 Ų38.813%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-62.4134.5174-69.60000110.2T220 A221 I222 N347T220-S264 PolarHBondContact O-N 3.49Å; A221-S264 CarbonylContact C-O 3.46Å; A221-S264 VanDerWaalsContact CA-O 3.25Å; A221-S264 WeakPolarHBondContact CA-O 3.14Å; I222-S264 PolarHBondContact N-O 2.95Å; S264-N347 PolarHBondContact OG-ND2 3.06Å
265L95.9Very high95.5Very high1 Ų138.5 Ų38.51%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-116116.5-177.2-173.659.8000110.2I222 F224 F251 C255 T263 I320 Y321I222-L265 HydrophobicContact CB-CD1 3.7Å; I222-L265 HydrophobicContact CG2-CD1 3.6Å; F224-L265 HydrophobicContact CB-CD1 4.49Å; F251-L265 HydrophobicContact CE2-CD1 4.34Å; F251-L265 HydrophobicContact CE2-CD2 3.81Å; F251-L265 HydrophobicContact CE2-CG 4.22Å; F251-L265 HydrophobicContact CZ-CD2 3.73Å; F251-L265 HydrophobicContact CZ-CG 4.39Å; C255-L265 HydrophobicContact CB-CD2 3.39Å; T263-L265 PolarHBondContact O-N 3.18Å; L265-I320 HydrophobicContact CD2-CD1 4.46Å; L265-I320 HydrophobicContact CD2-CG1 4.08Å; L265-I320 HydrophobicContact CG-CG1 4.49Å; L265-Y321 PolarHBondContact O-N 3.23Å
266I97.7Very high95.5Very high1 Ų139.6 Ų39.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-108.1130.9177-61118.8000108.3A221 I222 I223 F224 F268 Y321 V340 I344A221-I266 HydrophobicContact CB-CD1 3.86Å; I222-I266 PolarHBondContact O-N 3.2Å; I223-I266 WeakPolarHBondContact CA-O 3.34Å; I223-I266 HydrophobicContact CG1-CB 4.23Å; I223-I266 HydrophobicContact CG1-CD1 4.19Å; I223-I266 HydrophobicContact CG1-CG2 4.46Å; F224-I266 PolarHBondContact N-O 3.28Å; I266-F268 HydrophobicContact CG2-CD1 3.65Å; I266-F268 HydrophobicContact CG2-CE1 3.43Å; I266-F268 VanDerWaalsContact CG2-CE1 3.43Å; I266-F268 HydrophobicContact CG2-CZ 4.44Å; I266-Y321 CarbonylContact C-O 3.57Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-V340 HydrophobicContact CD1-CG1 3.49Å; I266-V340 VanDerWaalsContact CD1-CG1 3.49Å; I266-V340 HydrophobicContact CG1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG2 4.27Å; I266-V340 HydrophobicContact CG2-CG1 4.28Å; I266-V340 HydrophobicContact CG2-CG2 3.64Å; I266-I344 HydrophobicContact CD1-CD1 3.83Å; I266-I344 HydrophobicContact CD1-CG1 4.07Å
267L98.5Very high95.5Very high0 Ų043.2 Ų43.20%022%0.217CC..EExtended strand (participates in β ladder)trans-106.6109.5179.2-177.668.8000109.6F224 V226 F251 L269 F308 I320 Y321 S322 H323F224-L267 HydrophobicContact CB-CD1 4.39Å; F224-L267 HydrophobicContact CD1-CD1 4.02Å; V226-L267 HydrophobicContact CG2-CD1 3.62Å; F251-L267 HydrophobicContact CD2-CD1 4.15Å; F251-L267 HydrophobicContact CE2-CD1 3.81Å; F251-L267 HydrophobicContact CZ-CD1 4.23Å; L267-L269 HydrophobicContact CD2-CD1 4.38Å; L267-L269 HydrophobicContact CD2-CD2 3.99Å; L267-L269 HydrophobicContact CD2-CG 4.14Å; L267-L269 HydrophobicContact CG-CD2 4.19Å; L267-L269 HydrophobicContact CG-CG 4.13Å; L267-L269 PolarHBondContact O-N 3.33Å; L267-F308 HydrophobicContact CD1-CB 4.44Å; L267-F308 HydrophobicContact CD1-CD1 4.16Å; L267-F308 HydrophobicContact CD1-CG 4.39Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.16Å; L267-I320 HydrophobicContact CB-CG2 3.72Å; L267-I320 HydrophobicContact CD2-CG2 4.41Å; L267-Y321 PolarHBondContact N-O 2.96Å; L267-S322 WeakPolarHBondContact O-CA 3.45Å; L267-H323 PolarHBondContact O-N 3.44Å
268F98.7Very high95.7Very high2 Ų242.9 Ų42.91%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-90.6103.7172.6-8110.1000109.7I49 I223 F224 C225 V226 I266 N270 H323 T325 V336 V340I49-F268 HydrophobicContact CD1-CD2 4.06Å; I49-F268 HydrophobicContact CD1-CE2 4.02Å; I49-F268 HydrophobicContact CG1-CD2 4.2Å; I49-F268 HydrophobicContact CG1-CE2 4.32Å; I49-F268 HydrophobicContact CG2-CE2 4.41Å; I223-F268 HydrophobicContact CD1-CZ 4.4Å; I223-F268 HydrophobicContact CG2-CB 4.26Å; I223-F268 HydrophobicContact CG2-CD1 4Å; I223-F268 HydrophobicContact CG2-CD2 3.47Å; I223-F268 VanDerWaalsContact CG2-CD2 3.47Å; I223-F268 HydrophobicContact CG2-CE1 4.2Å; I223-F268 HydrophobicContact CG2-CE2 3.69Å; I223-F268 HydrophobicContact CG2-CG 3.63Å; I223-F268 HydrophobicContact CG2-CZ 4.05Å; F224-F268 PolarHBondContact O-N 3.33Å; C225-F268 WeakPolarHBondContact CA-O 3.22Å; V226-F268 PolarHBondContact N-O 2.87Å; I266-F268 HydrophobicContact CG2-CD1 3.65Å; I266-F268 HydrophobicContact CG2-CE1 3.43Å; I266-F268 VanDerWaalsContact CG2-CE1 3.43Å; I266-F268 HydrophobicContact CG2-CZ 4.44Å; F268-N270 VanDerWaalsContact C-N 3.35Å; F268-N270 PolarHBondContact O-N 3.18Å; F268-N270 VanDerWaalsContact O-N 3.14Å; F268-H323 HydrophobicContact CD1-CB 4.33Å; F268-H323 HydrophobicContact CE1-CB 4.43Å; F268-T325 HydrophobicContact CB-CG2 4.48Å; F268-T325 HydrophobicContact CD1-CG2 4.23Å; F268-T325 HydrophobicContact CD2-CG2 4.16Å; F268-T325 HydrophobicContact CE2-CG2 4.46Å; F268-T325 HydrophobicContact CG-CG2 4.05Å; F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.44Å; F268-V336 VanDerWaalsContact CE1-CG1 3.44Å; F268-V336 HydrophobicContact CZ-CG1 3.63Å; F268-V340 HydrophobicContact CE1-CG2 3.99Å; F268-V340 HydrophobicContact CZ-CG2 4.44Å
269L98.8Very high95.9Very high0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-83.483.4172.5-65.1165.7000107.9V226 L228 L267 I304 Q305 F308 H323 F324 T325V226-L269 HydrophobicContact CB-CD2 4.16Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.38Å; L228-L269 HydrophobicContact CD1-CB 3.97Å; L228-L269 WeakPolarHBondContact CD1-O 3.37Å; L228-L269 HydrophobicContact CD2-CB 4.02Å; L228-L269 HydrophobicContact CD2-CD2 3.95Å; L228-L269 HydrophobicContact CG-CB 4.04Å; L267-L269 HydrophobicContact CD2-CD1 4.38Å; L267-L269 HydrophobicContact CD2-CD2 3.99Å; L267-L269 HydrophobicContact CD2-CG 4.14Å; L267-L269 HydrophobicContact CG-CD2 4.19Å; L267-L269 HydrophobicContact CG-CG 4.13Å; L267-L269 PolarHBondContact O-N 3.33Å; L269-I304 HydrophobicContact CD2-CG2 4.48Å; L269-Q305 HydrophobicContact CD1-CB 3.51Å; L269-Q305 HydrophobicContact CD1-CG 3.71Å; L269-F308 HydrophobicContact CD2-CD2 4.44Å; L269-H323 PolarHBondContact N-O 3.23Å; L269-F324 HydrophobicContact CB-CD1 3.67Å; L269-F324 HydrophobicContact CB-CE1 3.94Å; L269-F324 HydrophobicContact CD1-CD1 3.93Å; L269-F324 HydrophobicContact CD1-CE1 3.45Å; L269-F324 VanDerWaalsContact CD1-CE1 3.45Å; L269-F324 HydrophobicContact CD1-CZ 3.87Å; L269-F324 HydrophobicContact CG-CD1 4.47Å; L269-F324 HydrophobicContact CG-CE1 4.32Å; L269-F324 WeakPolarHBondContact O-CA 3.49Å; L269-T325 PolarHBondContact O-N 3.14Å
270N98.7Very high96.2Very high3 Ų339 Ų392%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-90.5165-166.8-170.534.3000112.9S44 V226 L228 F268 K272 T325 A327S44-N270 PolarHBondContact O-ND2 3.42Å; V226-N270 WeakPolarHBondContact O-CA 3.44Å; V226-N270 WeakPolarHBondContact O-CB 3.28Å; V226-N270 PolarHBondContact O-N 2.92Å; L228-N270 VanDerWaalsContact CB-O 3.27Å; L228-N270 WeakPolarHBondContact CB-O 3.3Å; L228-N270 WeakPolarHBondContact CG-O 3.43Å; L228-N270 PolarHBondContact N-O 3.11Å; F268-N270 VanDerWaalsContact C-N 3.35Å; F268-N270 PolarHBondContact O-N 3.18Å; F268-N270 VanDerWaalsContact O-N 3.14Å; N270-K272 VanDerWaalsContact C-N 3.33Å; N270-T325 CarbonylContact C-O 3.58Å; N270-T325 WeakPolarHBondContact CA-O 3.26Å; N270-T325 WeakPolarHBondContact CA-OG1 3.36Å; N270-T325 WeakPolarHBondContact CB-OG1 3.17Å; N270-T325 PolarHBondContact OD1-O 3.37Å; N270-T325 PolarHBondContact OD1-OG1 3.31Å; N270-A327 PolarHBondContact OD1-N 2.73Å
271K98.2Very high96.3Very high19 Ų1946.5 Ų46.58%0.08322%0.217CC..  trans60.940.6-175.8-45.6-163.9-166.1175.70112.4N43 D151 E227 D273 L274 L275 T325N43-K271 WeakPolarHBondContact O-CE 3.37Å; N43-K271 PolarHBondContact O-NZ 3.1Å; D151-K271 VanDerWaalsContact OD2-CD 3.31Å; D151-K271 WeakPolarHBondContact OD2-CD 3.46Å; D151-K271 VanDerWaalsContact OD2-CE 3.3Å; D151-K271 WeakPolarHBondContact OD2-CE 3.36Å; D151-K271 IonicContact OD2-NZ 3.54Å; D151-K271 PolarHBondContact OD2-NZ 3.33Å; E227-K271 HydrophobicContact CG-CD 3.98Å; E227-K271 IonicContact OE1-NZ 3.82Å; E227-K271 PolarHBondContact OE1-NZ 3.24Å; K271-D273 VanDerWaalsContact CA-OD1 3.28Å; K271-D273 WeakPolarHBondContact CA-OD1 3.43Å; K271-D273 PolarHBondContact O-N 3.49Å; K271-L274 HydrophobicContact CB-CB 4.23Å; K271-L274 HydrophobicContact CB-CD1 4.2Å; K271-L274 HydrophobicContact CB-CG 4.28Å; K271-L274 HydrophobicContact CD-CD1 3.83Å; K271-L274 PolarHBondContact O-N 3.3Å; K271-L275 PolarHBondContact O-N 2.81Å; K271-T325 PolarHBondContact N-O 3.49Å
272K98.4Very high96.7Very high55 Ų5543.6 Ų43.624%0.23920%0.202CC..Hα-helixtrans-59-33.8178.473.7-179.3-176.5-178.40112.5L228 N270 L275 A276 Y297 F324 T325 C326 N332L228-K272 HydrophobicContact CD1-CB 4.06Å; N270-K272 VanDerWaalsContact C-N 3.33Å; K272-L275 PolarHBondContact O-N 3.35Å; K272-A276 WeakPolarHBondContact O-CB 3.49Å; K272-A276 PolarHBondContact O-N 3.43Å; K272-Y297 HydrophobicContact CB-CE2 3.78Å; K272-Y297 WeakPolarHBondContact O-CE2 3.18Å; K272-F324 HydrophobicContact CD-CB 4.06Å; K272-T325 WeakPolarHBondContact CG-O 3.38Å; K272-T325 PolarHBondContact N-O 2.97Å; K272-C326 HydrophobicContact CG-CB 4.35Å; K272-N332 PolarHBondContact NZ-ND2 3.47Å
273D97.8Very high97.2Very high61 Ų6139.3 Ų39.333%0.32618%0.182SC..Hα-helixtrans-60.5-48.8174.258.6-48.8000111.4K271 L275 A276 E277K271-D273 VanDerWaalsContact CA-OD1 3.28Å; K271-D273 WeakPolarHBondContact CA-OD1 3.43Å; K271-D273 PolarHBondContact O-N 3.49Å; D273-L275 PolarHBondContact O-N 3.46Å; D273-A276 PolarHBondContact O-N 2.88Å; D273-E277 PolarHBondContact O-N 3.09Å
274L97.7Very high97.5Very high41 Ų4138.7 Ų38.722%0.21518%0.178CC..Hα-helixtrans-69.4-34.2178.3-59.3-171.7000112.2D151 K271 K278D151-L274 HydrophobicContact CB-CD1 3.7Å; D151-L274 WeakPolarHBondContact OD2-CD1 3.24Å; K271-L274 HydrophobicContact CB-CB 4.23Å; K271-L274 HydrophobicContact CB-CD1 4.2Å; K271-L274 HydrophobicContact CB-CG 4.28Å; K271-L274 HydrophobicContact CD-CD1 3.83Å; K271-L274 PolarHBondContact O-N 3.3Å; L274-K278 WeakPolarHBondContact O-CB 3.32Å; L274-K278 PolarHBondContact O-N 3.16Å
275L98.5Very high97.7Very high0 Ų040.5 Ų40.50%019%0.188CC..Hα-helixtrans-61.4-47.2171.3174.865000110.3L228 Y231 K271 K272 D273 E277 K278 I279 Y297 A301 I304L228-L275 HydrophobicContact CB-CB 3.97Å; L228-L275 HydrophobicContact CB-CD2 3.99Å; L228-L275 HydrophobicContact CB-CG 4.47Å; L228-L275 HydrophobicContact CD1-CD2 4.06Å; L228-L275 HydrophobicContact CD2-CD2 4.32Å; L228-L275 HydrophobicContact CG-CD2 4.38Å; Y231-L275 HydrophobicContact CD1-CD1 3.99Å; Y231-L275 HydrophobicContact CE1-CD1 3.66Å; K271-L275 PolarHBondContact O-N 2.81Å; K272-L275 PolarHBondContact O-N 3.35Å; D273-L275 PolarHBondContact O-N 3.46Å; L275-E277 PolarHBondContact O-N 3.2Å; L275-K278 PolarHBondContact O-N 3.28Å; L275-I279 HydrophobicContact CD1-CB 4.22Å; L275-I279 WeakPolarHBondContact O-CB 3.34Å; L275-I279 VanDerWaalsContact O-CG2 3.24Å; L275-I279 WeakPolarHBondContact O-CG2 3.22Å; L275-I279 PolarHBondContact O-N 2.92Å; L275-Y297 HydrophobicContact CD2-CD2 4.02Å; L275-Y297 HydrophobicContact CD2-CE2 4.21Å; L275-Y297 HydrophobicContact CG-CD2 4.22Å; L275-A301 HydrophobicContact CD2-CB 3.8Å; L275-I304 HydrophobicContact CD2-CD1 4.39Å
276A98.3Very high97.8Very high25 Ų2545.6 Ų45.621%0.20721%0.214CC..Hα-helixtrans-60.6-33.1-177.400000113.2K272 D273 R280 Y297K272-A276 WeakPolarHBondContact O-CB 3.49Å; K272-A276 PolarHBondContact O-N 3.43Å; D273-A276 PolarHBondContact O-N 2.88Å; A276-R280 PolarHBondContact O-NE 2.96Å; A276-Y297 HydrophobicContact CB-CD2 3.83Å; A276-Y297 HydrophobicContact CB-CG 3.95Å
277E96.6Very high97.7Very high106 Ų10646.8 Ų46.850%0.49522%0.223SC..Hα-helixtrans-75.9-49.4172.1-167.9-163.3136.400112D273 L275 R281D273-E277 PolarHBondContact O-N 3.09Å; L275-E277 PolarHBondContact O-N 3.2Å; E277-R281 IonicContact OE1-CZ 2.92Å; E277-R281 IonicContact OE1-NH1 3.26Å; E277-R281 IonicContact OE1-NH2 2.62Å; E277-R281 PolarHBondContact OE1-NH2 3.39Å
278K97Very high97.7Very high34 Ų3447.6 Ų47.615%0.14823%0.226CC..Hα-helixtrans-69.9-38.2-170.4-167.3-174.4-79.6-169.40113.2S229 Y231 D232 L274 L275 R280 R281 I282S229-K278 PolarHBondContact O-NZ 3.28Å; Y231-K278 HydrophobicContact CE1-CB 4.4Å; Y231-K278 HydrophobicContact CE1-CD 3.75Å; Y231-K278 HydrophobicContact CE1-CG 4.21Å; Y231-K278 WeakPolarHBondContact OH-CG 3.42Å; Y231-K278 PolarHBondContact OH-O 2.93Å; D232-K278 WeakPolarHBondContact OD1-CD 3.43Å; D232-K278 IonicContact OD1-NZ 3.51Å; D232-K278 PolarHBondContact OD1-NZ 3.33Å; D232-K278 IonicContact OD2-NZ 2.76Å; D232-K278 PolarHBondContact OD2-NZ 3.46Å; L274-K278 WeakPolarHBondContact O-CB 3.32Å; L274-K278 PolarHBondContact O-N 3.16Å; L275-K278 PolarHBondContact O-N 3.28Å; K278-R280 PolarHBondContact O-N 2.86Å; K278-R280 VanDerWaalsContact O-N 3.12Å; K278-R281 PolarHBondContact O-N 3.49Å; K278-I282 HydrophobicContact CD-CD1 4.42Å; K278-I282 HydrophobicContact CG-CD1 4.15Å; K278-I282 PolarHBondContact O-N 2.96Å; K278-I282 VanDerWaalsContact O-N 3.07Å
279I98Very high97.7Very high1 Ų151.9 Ų51.91%0.00525%0.254CS..THydrogen-bonded Turntrans-60.3-27.9-175.3-166.460.5000113Y231 L275 R281 L284 N295 A300Y231-I279 WeakPolarHBondContact OH-CA 3.46Å; Y231-I279 PolarHBondContact OH-N 3.32Å; L275-I279 HydrophobicContact CD1-CB 4.22Å; L275-I279 WeakPolarHBondContact O-CB 3.34Å; L275-I279 VanDerWaalsContact O-CG2 3.24Å; L275-I279 WeakPolarHBondContact O-CG2 3.22Å; L275-I279 PolarHBondContact O-N 2.92Å; I279-R281 PolarHBondContact O-N 3.41Å; I279-L284 HydrophobicContact CD1-CB 3.87Å; I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.06Å; I279-A300 HydrophobicContact CD1-CB 3.88Å; I279-A300 HydrophobicContact CG1-CB 3.86Å
280R97.1Very high97.6Very high205 Ų20558.5 Ų58.577%0.77429%0.285SS*.THydrogen-bonded Turntrans-66.3-19.3177.1-59.5177.3-175.1-177.8-1.3113.5A276 K278A276-R280 PolarHBondContact O-NE 2.96Å; K278-R280 PolarHBondContact O-N 2.86Å; K278-R280 VanDerWaalsContact O-N 3.12Å
281R95.8Very high97.6Very high157 Ų15758.9 Ų58.959%0.59229%0.286SS*.THydrogen-bonded Turntrans-112.4-38-175.1-63.8179-69-165.3-9.1112.6E277 K278 I279E277-R281 IonicContact OE1-CZ 2.92Å; E277-R281 IonicContact OE1-NH1 3.26Å; E277-R281 IonicContact OE1-NH2 2.62Å; E277-R281 PolarHBondContact OE1-NH2 3.39Å; K278-R281 PolarHBondContact O-N 3.49Å; I279-R281 PolarHBondContact O-N 3.41Å
282I96.4Very high97.5Very high40 Ų4065.8 Ų65.821%0.20532%0.316CS..SBendtrans-121.8115.5-171.6-57.6178.3000108.3Y231 D232 K278 I286Y231-I282 HydrophobicContact CE2-CB 4.29Å; Y231-I282 HydrophobicContact CE2-CG2 3.91Å; Y231-I282 WeakPolarHBondContact CE2-O 3.28Å; Y231-I282 PolarHBondContact OH-O 2.97Å; D232-I282 HydrophobicContact CB-CG2 4.04Å; D232-I282 WeakPolarHBondContact OD2-CD1 3.42Å; K278-I282 HydrophobicContact CD-CD1 4.42Å; K278-I282 HydrophobicContact CG-CD1 4.15Å; K278-I282 PolarHBondContact O-N 2.96Å; K278-I282 VanDerWaalsContact O-N 3.07Å; I282-I286 HydrophobicContact CG2-CD1 3.48Å; I282-I286 VanDerWaalsContact CG2-CD1 3.48Å
283P97.6Very high97.5Very high43 Ų4364.6 Ų64.628%0.27932%0.319SS..  trans-67.7145.3-174.329.3-36.4000111.9T285 I286 N295P283-T285 PolarHBondContact O-N 2.98Å; P283-T285 VanDerWaalsContact O-N 3.16Å; P283-I286 HydrophobicContact CG-CD1 4.14Å; P283-I286 HydrophobicContact CG-CG1 4.37Å; P283-I286 PolarHBondContact O-N 3.46Å; P283-N295 WeakPolarHBondContact CA-OD1 3.34Å; P283-N295 WeakPolarHBondContact CB-ND2 3.14Å
284L98.3Very high97.5Very high0 Ų067.6 Ų67.60%033%0.332CS..G310 helixtrans-63.7-23.1179.7-172.261.3000112.7Y231 I279 I286 C287 F288 Y291 N295 A300 Y303 I304Y231-L284 HydrophobicContact CD2-CD1 4.1Å; Y231-L284 HydrophobicContact CG-CD1 4.03Å; I279-L284 HydrophobicContact CD1-CB 3.87Å; L284-I286 PolarHBondContact O-N 3.45Å; L284-I286 VanDerWaalsContact O-N 3.1Å; L284-C287 PolarHBondContact O-N 3.08Å; L284-F288 HydrophobicContact CD1-CD2 3.66Å; L284-F288 HydrophobicContact CD1-CE2 4.02Å; L284-F288 HydrophobicContact CD2-CD2 4.31Å; L284-F288 HydrophobicContact CG-CD2 3.78Å; L284-F288 PolarHBondContact O-N 3.04Å; L284-Y291 HydrophobicContact CB-CD1 3.71Å; L284-Y291 HydrophobicContact CB-CE1 3.94Å; L284-Y291 HydrophobicContact CB-CG 4.31Å; L284-Y291 HydrophobicContact CD2-CD1 3.91Å; L284-Y291 HydrophobicContact CD2-CD2 3.89Å; L284-Y291 HydrophobicContact CD2-CE1 3.96Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.85Å; L284-Y291 HydrophobicContact CG-CD1 4.2Å; L284-Y291 HydrophobicContact CG-CG 4.32Å; L284-N295 PolarHBondContact N-OD1 3.47Å; L284-N295 VanDerWaalsContact N-OD1 3.11Å; L284-A300 HydrophobicContact CD2-CB 3.92Å; L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.44Å; L284-I304 HydrophobicContact CD1-CD1 3.96Å; L284-I304 HydrophobicContact CD1-CG1 4.23Å; L284-I304 HydrophobicContact CD2-CG1 4.38Å
285T98.2Very high97.4Very high57 Ų5769 Ų6935%0.3534%0.339SS..G310 helixtrans-61-18.1-179.751.60000114.5P283 C287 F288 P289 Y291P283-T285 PolarHBondContact O-N 2.98Å; P283-T285 VanDerWaalsContact O-N 3.16Å; T285-C287 PolarHBondContact O-N 2.95Å; T285-F288 WeakPolarHBondContact CA-O 3.5Å; T285-F288 CarbonylContact O-C 3.54Å; T285-P289 WeakPolarHBondContact O-CA 3Å; T285-Y291 HydrophobicContact CG2-CD1 4.39Å; T285-Y291 WeakPolarHBondContact CG2-O 3.49Å
286I96.5Very high97.4Very high107 Ų10771 Ų7155%0.54935%0.351SS..G310 helixtrans-60-36.8171.1-76.7165.9000111.5I282 P283 L284I282-I286 HydrophobicContact CG2-CD1 3.48Å; I282-I286 VanDerWaalsContact CG2-CD1 3.48Å; P283-I286 HydrophobicContact CG-CD1 4.14Å; P283-I286 HydrophobicContact CG-CG1 4.37Å; P283-I286 PolarHBondContact O-N 3.46Å; L284-I286 PolarHBondContact O-N 3.45Å; L284-I286 VanDerWaalsContact O-N 3.1Å
287C97.3Very high97.4Very high27 Ų2772.3 Ų72.318%0.18235%0.352CS..THydrogen-bonded Turntrans-97.4-34.6177.3-171.30000112.5Y231 M244 L284 T285Y231-C287 VanDerWaalsContact O-CB 3.28Å; Y231-C287 WeakPolarHBondContact O-CB 3.45Å; M244-C287 VanDerWaalsContact CB-SG 3.56Å; L284-C287 PolarHBondContact O-N 3.08Å; T285-C287 PolarHBondContact O-N 2.95Å
288F98Very high97.5Very high16 Ų1673.2 Ų73.27%0.0736%0.356CS..  trans-126.181.2-175-60.6-80.7000110.2M244 L248 L284 T285 E290 Y291 Y303 I304 Q307M244-F288 HydrophobicContact CG-CE2 3.86Å; M244-F288 HydrophobicContact CG-CZ 3.55Å; M244-F288 HydrophobicContact SD-CZ 4.36Å; L248-F288 HydrophobicContact CD1-CE1 3.85Å; L248-F288 HydrophobicContact CD1-CZ 4.07Å; L284-F288 HydrophobicContact CD1-CD2 3.66Å; L284-F288 HydrophobicContact CD1-CE2 4.02Å; L284-F288 HydrophobicContact CD2-CD2 4.31Å; L284-F288 HydrophobicContact CG-CD2 3.78Å; L284-F288 PolarHBondContact O-N 3.04Å; T285-F288 WeakPolarHBondContact CA-O 3.5Å; T285-F288 CarbonylContact O-C 3.54Å; F288-E290 PolarHBondContact O-N 2.9Å; F288-Y291 WeakPolarHBondContact O-CB 3.33Å; F288-Y291 PolarHBondContact O-N 2.84Å; F288-Y303 HydrophobicContact CB-CE1 3.69Å; F288-Y303 AromaticContact CD1-CE1 3.82Å; F288-Y303 HydrophobicContact CD1-CE1 3.82Å; F288-Y303 HydrophobicContact CD2-CE1 4.21Å; F288-Y303 HydrophobicContact CE1-CE1 4.47Å; F288-Y303 HydrophobicContact CG-CD1 4.41Å; F288-Y303 AromaticContact CG-CE1 3.65Å; F288-Y303 HydrophobicContact CG-CE1 3.65Å; F288-I304 HydrophobicContact CE2-CG1 4Å; F288-Q307 HydrophobicContact CD1-CG 4.15Å; F288-Q307 HydrophobicContact CE1-CB 4.25Å; F288-Q307 HydrophobicContact CE1-CG 3.72Å; F288-Q307 HydrophobicContact CZ-CG 4.26Å
289P97.8Very high97.6Very high93 Ų9375.4 Ų75.460%0.60437%0.366SS*.THydrogen-bonded Turntrans-55.9-26-175.1-27.835.9000114.5T285 Y291T285-P289 WeakPolarHBondContact O-CA 3Å; P289-Y291 VanDerWaalsContact C-N 3.33Å
290E97.2Very high97.6Very high138 Ų13875.3 Ų75.365%0.64537%0.366SS*.THydrogen-bonded Turntrans-82.7-5.1177.8-61.1-54.6156.300114.6F288 K292F288-E290 PolarHBondContact O-N 2.9Å; E290-K292 WeakPolarHBondContact O-CE 3.12Å; E290-K292 WeakPolarHBondContact O-CG 3.44Å; E290-K292 PolarHBondContact O-N 2.69Å; E290-K292 IonicContact OE2-NZ 2.7Å
291Y98.3Very high97.7Very high11 Ų1165.7 Ų65.74%0.04333%0.33CS..  trans-62.7123.6176.2-179.2-115.3000111.1L284 T285 F288 P289 G293 Q294 E299 A300 Y303L284-Y291 HydrophobicContact CB-CD1 3.71Å; L284-Y291 HydrophobicContact CB-CE1 3.94Å; L284-Y291 HydrophobicContact CB-CG 4.31Å; L284-Y291 HydrophobicContact CD2-CD1 3.91Å; L284-Y291 HydrophobicContact CD2-CD2 3.89Å; L284-Y291 HydrophobicContact CD2-CE1 3.96Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.85Å; L284-Y291 HydrophobicContact CG-CD1 4.2Å; L284-Y291 HydrophobicContact CG-CG 4.32Å; T285-Y291 HydrophobicContact CG2-CD1 4.39Å; T285-Y291 WeakPolarHBondContact CG2-O 3.49Å; F288-Y291 WeakPolarHBondContact O-CB 3.33Å; F288-Y291 PolarHBondContact O-N 2.84Å; P289-Y291 VanDerWaalsContact C-N 3.33Å; Y291-G293 VanDerWaalsContact CE1-C 3.46Å; Y291-G293 WeakPolarHBondContact CE1-O 3.37Å; Y291-G293 VanDerWaalsContact CZ-C 3.48Å; Y291-G293 VanDerWaalsContact CZ-CA 3.42Å; Y291-Q294 WeakPolarHBondContact CE1-O 3.41Å; Y291-Q294 PolarHBondContact OH-O 3.01Å; Y291-E299 WeakPolarHBondContact OH-CB 3.34Å; Y291-A300 PolarHBondContact OH-N 3.35Å; Y291-Y303 AromaticContact CD2-CD1 3.75Å; Y291-Y303 HydrophobicContact CD2-CD1 3.75Å; Y291-Y303 AromaticContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CD2 3.48Å; Y291-Y303 VanDerWaalsContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CE1 4.08Å; Y291-Y303 AromaticContact CD2-CE2 3.82Å; Y291-Y303 HydrophobicContact CD2-CE2 3.82Å; Y291-Y303 AromaticContact CD2-CG 3.42Å; Y291-Y303 HydrophobicContact CD2-CG 3.42Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.42Å; Y291-Y303 HydrophobicContact CE2-CD1 4.29Å; Y291-Y303 AromaticContact CE2-CD2 3.9Å; Y291-Y303 HydrophobicContact CE2-CD2 3.9Å; Y291-Y303 AromaticContact CE2-CG 3.67Å; Y291-Y303 HydrophobicContact CE2-CG 3.67Å
292K97.6Very high97.8Very high165 Ų16560.9 Ų60.972%0.71732%0.318SS*.  trans-112.2-1.4179.3-51.3-54.2176-1620113.8E290E290-K292 WeakPolarHBondContact O-CE 3.12Å; E290-K292 WeakPolarHBondContact O-CG 3.44Å; E290-K292 PolarHBondContact O-N 2.69Å; E290-K292 IonicContact OE2-NZ 2.7Å
293G96.8Very high97.9Very high29 Ų2961.2 Ų61.230%0.29932%0.317SS..SBendtrans-77.4176179.400000112.8Y291 E299Y291-G293 VanDerWaalsContact CE1-C 3.46Å; Y291-G293 WeakPolarHBondContact CE1-O 3.37Å; Y291-G293 VanDerWaalsContact CZ-C 3.48Å; Y291-G293 VanDerWaalsContact CZ-CA 3.42Å; G293-E299 WeakPolarHBondContact CA-OE2 3.35Å
294Q97.5Very high98Very high125 Ų12559.1 Ų59.158%0.58430%0.304SS*.  trans-73.6154.8175.9-59.5-173.36.300111.5Y291 T296 E299Y291-Q294 WeakPolarHBondContact CE1-O 3.41Å; Y291-Q294 PolarHBondContact OH-O 3.01Å; Q294-T296 HydrophobicContact CB-CG2 3.98Å; Q294-T296 PolarHBondContact O-N 3.37Å; Q294-E299 WeakPolarHBondContact CG-OE1 3.36Å; Q294-E299 PolarHBondContact N-OE2 3.5Å
295N97.4Very high98Very high69 Ų6960.9 Ų60.937%0.36931%0.312SS..SBendtrans-81.152.8172.1-67.1-49.6000111.2I279 P283 L284I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.06Å; P283-N295 WeakPolarHBondContact CA-OD1 3.34Å; P283-N295 WeakPolarHBondContact CB-ND2 3.14Å; L284-N295 PolarHBondContact N-OD1 3.47Å; L284-N295 VanDerWaalsContact N-OD1 3.11Å
296T98.2Very high98Very high43 Ų4365.3 Ų65.326%0.26432%0.322SS..SBendtrans-103.4158.2172.159.10000109.6Q294 E298 E299 A300Q294-T296 HydrophobicContact CB-CG2 3.98Å; Q294-T296 PolarHBondContact O-N 3.37Å; T296-E298 VanDerWaalsContact C-N 3.3Å; T296-E298 PolarHBondContact O-N 3.12Å; T296-E299 PolarHBondContact OG1-N 3.45Å; T296-A300 WeakPolarHBondContact O-CB 3.16Å; T296-A300 PolarHBondContact O-N 2.86Å; T296-A300 VanDerWaalsContact O-N 3.12Å
297Y98.4Very high98.1Very high53 Ų5363 Ų6321%0.20831%0.309CS..Hα-helixtrans-59.4-45.8176.7165.3-106.2000110.7K272 L275 A276 A300 A301K272-Y297 HydrophobicContact CB-CE2 3.78Å; K272-Y297 WeakPolarHBondContact O-CE2 3.18Å; L275-Y297 HydrophobicContact CD2-CD2 4.02Å; L275-Y297 HydrophobicContact CD2-CE2 4.21Å; L275-Y297 HydrophobicContact CG-CD2 4.22Å; A276-Y297 HydrophobicContact CB-CD2 3.83Å; A276-Y297 HydrophobicContact CB-CG 3.95Å; Y297-A300 PolarHBondContact O-N 3.38Å; Y297-A301 HydrophobicContact CD2-CB 4.17Å; Y297-A301 HydrophobicContact CE2-CB 3.83Å; Y297-A301 WeakPolarHBondContact O-CB 3.21Å; Y297-A301 PolarHBondContact O-N 2.77Å
298E98.3Very high98.2Very high124 Ų12461.7 Ų61.758%0.57930%0.3SS*.Hα-helixtrans-62.1-48.6-172.5-64.270.5-155.900111.4T296 V302T296-E298 VanDerWaalsContact C-N 3.3Å; T296-E298 PolarHBondContact O-N 3.12Å; E298-V302 WeakPolarHBondContact O-CB 3.35Å; E298-V302 WeakPolarHBondContact O-CG2 3.5Å; E298-V302 PolarHBondContact O-N 3.31Å
299E98.5Very high98.2Very high80 Ų8063.4 Ų63.437%0.37431%0.308SS..Hα-helixtrans-74.5-41.7-179.7-67.1-170.7-141.800112.1Y291 G293 Q294 T296 Y303Y291-E299 WeakPolarHBondContact OH-CB 3.34Å; G293-E299 WeakPolarHBondContact CA-OE2 3.35Å; Q294-E299 WeakPolarHBondContact CG-OE1 3.36Å; Q294-E299 PolarHBondContact N-OE2 3.5Å; T296-E299 PolarHBondContact OG1-N 3.45Å; E299-Y303 WeakPolarHBondContact O-CB 3.45Å; E299-Y303 PolarHBondContact O-N 3.2Å
300A98.6Very high98.2Very high0 Ų063.6 Ų63.60%030%0.304CS..Hα-helixtrans-66.1-44.2-179.100000112I279 L284 Y291 T296 Y297 Y303 I304I279-A300 HydrophobicContact CD1-CB 3.88Å; I279-A300 HydrophobicContact CG1-CB 3.86Å; L284-A300 HydrophobicContact CD2-CB 3.92Å; Y291-A300 PolarHBondContact OH-N 3.35Å; T296-A300 WeakPolarHBondContact O-CB 3.16Å; T296-A300 PolarHBondContact O-N 2.86Å; T296-A300 VanDerWaalsContact O-N 3.12Å; Y297-A300 PolarHBondContact O-N 3.38Å; A300-Y303 PolarHBondContact O-N 2.93Å; A300-I304 VanDerWaalsContact O-CG1 3.3Å; A300-I304 WeakPolarHBondContact O-CG1 3.49Å; A300-I304 PolarHBondContact O-N 3.02Å
301A98.7Very high98.2Very high2 Ų259.1 Ų59.12%0.01729%0.285CS..Hα-helixtrans-64.8-43.8-179.400000111.4L275 Y297 I304 Q305 F324L275-A301 HydrophobicContact CD2-CB 3.8Å; Y297-A301 HydrophobicContact CD2-CB 4.17Å; Y297-A301 HydrophobicContact CE2-CB 3.83Å; Y297-A301 WeakPolarHBondContact O-CB 3.21Å; Y297-A301 PolarHBondContact O-N 2.77Å; A301-I304 PolarHBondContact O-N 3.34Å; A301-Q305 WeakPolarHBondContact O-CB 3.13Å; A301-Q305 PolarHBondContact O-N 2.99Å; A301-F324 HydrophobicContact CB-CD1 4.21Å; A301-F324 HydrophobicContact CB-CE1 3.54Å; A301-F324 HydrophobicContact CB-CZ 3.95Å
302V98.4Very high98.2Very high56 Ų5659 Ų5934%0.33929%0.285SS..Hα-helixtrans-65.6-38.8175.7170.70000111.4E298 Q305 R306E298-V302 WeakPolarHBondContact O-CB 3.35Å; E298-V302 WeakPolarHBondContact O-CG2 3.5Å; E298-V302 PolarHBondContact O-N 3.31Å; V302-Q305 WeakPolarHBondContact O-CB 3.4Å; V302-Q305 PolarHBondContact O-N 3.1Å; V302-R306 WeakPolarHBondContact O-CG 3.2Å; V302-R306 PolarHBondContact O-N 2.6Å
303Y98.8Very high98.1Very high47 Ų4759.4 Ų59.418%0.18428%0.282CS..Hα-helixtrans-63-49.2175.5-177.7-91.4000111.4L284 F288 Y291 E299 A300 Q305 R306 Q307L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.44Å; F288-Y303 HydrophobicContact CB-CE1 3.69Å; F288-Y303 AromaticContact CD1-CE1 3.82Å; F288-Y303 HydrophobicContact CD1-CE1 3.82Å; F288-Y303 HydrophobicContact CD2-CE1 4.21Å; F288-Y303 HydrophobicContact CE1-CE1 4.47Å; F288-Y303 HydrophobicContact CG-CD1 4.41Å; F288-Y303 AromaticContact CG-CE1 3.65Å; F288-Y303 HydrophobicContact CG-CE1 3.65Å; Y291-Y303 AromaticContact CD2-CD1 3.75Å; Y291-Y303 HydrophobicContact CD2-CD1 3.75Å; Y291-Y303 AromaticContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CD2 3.48Å; Y291-Y303 VanDerWaalsContact CD2-CD2 3.48Å; Y291-Y303 HydrophobicContact CD2-CE1 4.08Å; Y291-Y303 AromaticContact CD2-CE2 3.82Å; Y291-Y303 HydrophobicContact CD2-CE2 3.82Å; Y291-Y303 AromaticContact CD2-CG 3.42Å; Y291-Y303 HydrophobicContact CD2-CG 3.42Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.42Å; Y291-Y303 HydrophobicContact CE2-CD1 4.29Å; Y291-Y303 AromaticContact CE2-CD2 3.9Å; Y291-Y303 HydrophobicContact CE2-CD2 3.9Å; Y291-Y303 AromaticContact CE2-CG 3.67Å; Y291-Y303 HydrophobicContact CE2-CG 3.67Å; E299-Y303 WeakPolarHBondContact O-CB 3.45Å; E299-Y303 PolarHBondContact O-N 3.2Å; A300-Y303 PolarHBondContact O-N 2.93Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 2.99Å; Y303-R306 PolarHBondContact O-N 3.01Å; Y303-Q307 HydrophobicContact CD1-CG 3.99Å; Y303-Q307 HydrophobicContact CE1-CG 3.67Å; Y303-Q307 WeakPolarHBondContact O-CG 3.46Å; Y303-Q307 PolarHBondContact O-N 3.28Å
304I98.8Very high98Very high0 Ų061.8 Ų61.80%029%0.288CS..Hα-helixtrans-59.2-45.2177.3-65.2165.2000110.3L228 M244 L269 L275 L284 F288 A300 A301 R306 Q307 F308L228-I304 HydrophobicContact CD2-CB 4.11Å; L228-I304 HydrophobicContact CD2-CD1 4.07Å; L228-I304 HydrophobicContact CD2-CG2 3.73Å; M244-I304 HydrophobicContact CE-CD1 4.38Å; M244-I304 HydrophobicContact CE-CG2 4.14Å; M244-I304 HydrophobicContact SD-CG2 4.2Å; L269-I304 HydrophobicContact CD2-CG2 4.48Å; L275-I304 HydrophobicContact CD2-CD1 4.39Å; L284-I304 HydrophobicContact CD1-CD1 3.96Å; L284-I304 HydrophobicContact CD1-CG1 4.23Å; L284-I304 HydrophobicContact CD2-CG1 4.38Å; F288-I304 HydrophobicContact CE2-CG1 4Å; A300-I304 VanDerWaalsContact O-CG1 3.3Å; A300-I304 WeakPolarHBondContact O-CG1 3.49Å; A300-I304 PolarHBondContact O-N 3.02Å; A301-I304 PolarHBondContact O-N 3.34Å; I304-R306 VanDerWaalsContact C-N 3.31Å; I304-R306 PolarHBondContact O-N 2.88Å; I304-Q307 WeakPolarHBondContact O-CB 3.13Å; I304-Q307 PolarHBondContact O-N 3.16Å; I304-Q307 VanDerWaalsContact O-N 3.1Å; I304-F308 HydrophobicContact CG2-CD2 4.06Å; I304-F308 HydrophobicContact CG2-CE2 3.87Å; I304-F308 WeakPolarHBondContact O-CD2 3.44Å; I304-F308 PolarHBondContact O-N 3.2Å
305Q98.7Very high97.7Very high37 Ų3761.6 Ų61.617%0.17329%0.285CS..Hα-helixtrans-50.7-51.5175176.6176.2-17.600111.7L269 A301 V302 Y303 Q307 F308 E309 F324L269-Q305 HydrophobicContact CD1-CB 3.51Å; L269-Q305 HydrophobicContact CD1-CG 3.71Å; A301-Q305 WeakPolarHBondContact O-CB 3.13Å; A301-Q305 PolarHBondContact O-N 2.99Å; V302-Q305 WeakPolarHBondContact O-CB 3.4Å; V302-Q305 PolarHBondContact O-N 3.1Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 2.99Å; Q305-Q307 VanDerWaalsContact C-N 3.3Å; Q305-Q307 PolarHBondContact O-N 3.11Å; Q305-F308 PolarHBondContact O-N 3.07Å; Q305-E309 HydrophobicContact CG-CG 4.28Å; Q305-E309 VanDerWaalsContact CG-OE1 3.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.37Å; Q305-E309 PolarHBondContact NE2-OE1 3.03Å; Q305-E309 PolarHBondContact O-N 2.95Å; Q305-F324 HydrophobicContact CB-CZ 4.15Å
306R98.3Very high97.4Very high149 Ų14967.7 Ų67.756%0.56231%0.311SS*.Hα-helixtrans-59.8-40179.2-71.4173.8-177.9176.12112.2V302 Y303 I304 F308 E309 D310V302-R306 WeakPolarHBondContact O-CG 3.2Å; V302-R306 PolarHBondContact O-N 2.6Å; Y303-R306 PolarHBondContact O-N 3.01Å; I304-R306 VanDerWaalsContact C-N 3.31Å; I304-R306 PolarHBondContact O-N 2.88Å; R306-F308 PolarHBondContact O-N 3.37Å; R306-E309 PolarHBondContact O-N 3.37Å; R306-D310 VanDerWaalsContact O-CB 3.3Å; R306-D310 WeakPolarHBondContact O-CB 3.28Å; R306-D310 PolarHBondContact O-N 3.16Å
307Q98.6Very high97Very high58 Ų5871.3 Ų71.327%0.27133%0.333SS..Hα-helixtrans-58.3-33.4176.3-63.9-60.1-7300112.6L248 F288 Y303 I304 Q305 L311L248-Q307 HydrophobicContact CD2-CB 4Å; F288-Q307 HydrophobicContact CD1-CG 4.15Å; F288-Q307 HydrophobicContact CE1-CB 4.25Å; F288-Q307 HydrophobicContact CE1-CG 3.72Å; F288-Q307 HydrophobicContact CZ-CG 4.26Å; Y303-Q307 HydrophobicContact CD1-CG 3.99Å; Y303-Q307 HydrophobicContact CE1-CG 3.67Å; Y303-Q307 WeakPolarHBondContact O-CG 3.46Å; Y303-Q307 PolarHBondContact O-N 3.28Å; I304-Q307 WeakPolarHBondContact O-CB 3.13Å; I304-Q307 PolarHBondContact O-N 3.16Å; I304-Q307 VanDerWaalsContact O-N 3.1Å; Q305-Q307 VanDerWaalsContact C-N 3.3Å; Q305-Q307 PolarHBondContact O-N 3.11Å; Q307-L311 WeakPolarHBondContact O-CG 3.4Å
308F98.7Very high96.6Very high0 Ų069.5 Ų69.50%033%0.327CS..Hα-helixtrans-79-47.2174-79-92.6000112F224 V226 M244 L248 F251 L267 L269 I304 Q305 R306 D310 L311F224-F308 HydrophobicContact CE1-CE1 4.29Å; V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.36Å; V226-F308 HydrophobicContact CG1-CE2 3.66Å; V226-F308 HydrophobicContact CG1-CZ 3.57Å; V226-F308 HydrophobicContact CG2-CD1 3.96Å; V226-F308 HydrophobicContact CG2-CD2 4.48Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.09Å; V226-F308 HydrophobicContact CG2-CG 4.45Å; V226-F308 HydrophobicContact CG2-CZ 3.61Å; M244-F308 HydrophobicContact SD-CE2 3.72Å; M244-F308 HydrophobicContact SD-CZ 3.95Å; L248-F308 HydrophobicContact CD2-CD1 4.02Å; L248-F308 HydrophobicContact CD2-CD2 3.7Å; L248-F308 HydrophobicContact CD2-CE1 3.93Å; L248-F308 HydrophobicContact CD2-CE2 3.6Å; L248-F308 HydrophobicContact CD2-CG 3.89Å; L248-F308 HydrophobicContact CD2-CZ 3.71Å; L248-F308 HydrophobicContact CG-CE1 4.29Å; L248-F308 HydrophobicContact CG-CE2 4.07Å; L248-F308 HydrophobicContact CG-CZ 3.86Å; F251-F308 HydrophobicContact CB-CD1 3.65Å; F251-F308 HydrophobicContact CB-CE1 3.77Å; F251-F308 HydrophobicContact CD1-CB 4.2Å; F251-F308 AromaticContact CD1-CD1 3.71Å; F251-F308 HydrophobicContact CD1-CD1 3.71Å; F251-F308 HydrophobicContact CD1-CG 4.45Å; F251-F308 HydrophobicContact CD2-CD1 4.25Å; F251-F308 HydrophobicContact CE1-CB 4.21Å; F251-F308 HydrophobicContact CE1-CD1 4.41Å; F251-F308 WeakPolarHBondContact CE1-O 3.46Å; F251-F308 AromaticContact CG-CD1 3.6Å; F251-F308 HydrophobicContact CG-CD1 3.6Å; F251-F308 HydrophobicContact CG-CE1 4.21Å; L267-F308 HydrophobicContact CD1-CB 4.44Å; L267-F308 HydrophobicContact CD1-CD1 4.16Å; L267-F308 HydrophobicContact CD1-CG 4.39Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.16Å; L269-F308 HydrophobicContact CD2-CD2 4.44Å; I304-F308 HydrophobicContact CG2-CD2 4.06Å; I304-F308 HydrophobicContact CG2-CE2 3.87Å; I304-F308 WeakPolarHBondContact O-CD2 3.44Å; I304-F308 PolarHBondContact O-N 3.2Å; Q305-F308 PolarHBondContact O-N 3.07Å; R306-F308 PolarHBondContact O-N 3.37Å; F308-D310 VanDerWaalsContact C-N 3.26Å; F308-D310 PolarHBondContact O-N 3.46Å; F308-L311 WeakPolarHBondContact O-CB 3.39Å; F308-L311 PolarHBondContact O-N 3.08Å; F308-L311 VanDerWaalsContact O-N 3.1Å
309E98.2Very high96.3Very high52 Ų5269.4 Ų69.424%0.24333%0.326CS..Hα-helixtrans-60.9-34.6-178.6-71.1173.4170.500112.7Q305 R306 L311 N312 I320 S322Q305-E309 HydrophobicContact CG-CG 4.28Å; Q305-E309 VanDerWaalsContact CG-OE1 3.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.37Å; Q305-E309 PolarHBondContact NE2-OE1 3.03Å; Q305-E309 PolarHBondContact O-N 2.95Å; R306-E309 PolarHBondContact O-N 3.37Å; E309-L311 PolarHBondContact O-N 3.45Å; E309-N312 WeakPolarHBondContact O-CB 3.16Å; E309-N312 PolarHBondContact O-N 3.45Å; E309-I320 HydrophobicContact CG-CG2 4.49Å; E309-S322 VanDerWaalsContact OE1-CB 3.28Å; E309-S322 WeakPolarHBondContact OE1-CB 3.28Å; E309-S322 PolarHBondContact OE1-OG 2.82Å
310D97.8Very high96.1Very high97 Ų9766.5 Ų66.552%0.51931%0.313SS..THydrogen-bonded Turntrans-71.9-14.2178.2-74.5-27.7000114.1R306 F308 N312 K315R306-D310 VanDerWaalsContact O-CB 3.3Å; R306-D310 WeakPolarHBondContact O-CB 3.28Å; R306-D310 PolarHBondContact O-N 3.16Å; F308-D310 VanDerWaalsContact C-N 3.26Å; F308-D310 PolarHBondContact O-N 3.46Å; D310-N312 PolarHBondContact O-N 2.85Å; D310-K315 IonicContact OD1-NZ 3.1Å; D310-K315 PolarHBondContact OD1-NZ 3.34Å
311L98.2Very high96Very high44 Ų4468.6 Ų68.623%0.2332%0.321CS..THydrogen-bonded Turntrans-73.8-17.3172.7-64.2170.3000112.6L248 F251 D252 N256 Q307 F308 E309 R313L248-L311 HydrophobicContact CB-CD1 4.13Å; L248-L311 HydrophobicContact CD2-CD1 3.73Å; L248-L311 VanDerWaalsContact O-CD1 3.31Å; L248-L311 WeakPolarHBondContact O-CD1 3.41Å; F251-L311 HydrophobicContact CB-CD1 4.48Å; F251-L311 HydrophobicContact CD1-CB 4.24Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.15Å; D252-L311 HydrophobicContact CB-CD2 4.2Å; D252-L311 HydrophobicContact CB-CG 4.45Å; N256-L311 PolarHBondContact ND2-O 3.36Å; Q307-L311 WeakPolarHBondContact O-CG 3.4Å; F308-L311 WeakPolarHBondContact O-CB 3.39Å; F308-L311 PolarHBondContact O-N 3.08Å; F308-L311 VanDerWaalsContact O-N 3.1Å; E309-L311 PolarHBondContact O-N 3.45Å; L311-R313 PolarHBondContact O-N 3.47Å
312N97.4Very high96Very high9 Ų969.7 Ų69.75%0.04833%0.329CS..  trans-71.9114.1175.8-179.515.8000110.9E309 D310 N314 K315 K318 I320E309-N312 WeakPolarHBondContact O-CB 3.16Å; E309-N312 PolarHBondContact O-N 3.45Å; D310-N312 PolarHBondContact O-N 2.85Å; N312-N314 VanDerWaalsContact C-N 3.33Å; N312-N314 PolarHBondContact OD1-N 2.82Å; N312-K315 HydrophobicContact CB-CG 4.45Å; N312-K315 VanDerWaalsContact O-CG 3.32Å; N312-K315 WeakPolarHBondContact O-CG 3.18Å; N312-K318 PolarHBondContact ND2-O 2.87Å; N312-I320 HydrophobicContact CB-CD1 3.58Å; N312-I320 HydrophobicContact CB-CG1 4.48Å
313R96.3Very high95.9Very high174 Ų17469 Ų6966%0.65732%0.322SS*.SBendtrans-84.5-11.8-179.3-57.9171.9-160.4176.23.8112.7D252 N256 L311D252-R313 IonicContact OD1-CZ 3.98Å; D252-R313 IonicContact OD1-NE 2.74Å; D252-R313 IonicContact OD1-NH2 3.93Å; D252-R313 PolarHBondContact OD1-NH2 3.22Å; D252-R313 IonicContact OD2-NH2 2.65Å; D252-R313 PolarHBondContact OD2-NH2 2.68Å; N256-R313 PolarHBondContact ND2-NE 3.17Å; N256-R313 WeakPolarHBondContact OD1-CB 3.42Å; N256-R313 PolarHBondContact OD1-N 3.15Å; L311-R313 PolarHBondContact O-N 3.47Å
314N93.8Very high95.9Very high78 Ų7869.2 Ų69.242%0.41732%0.324SS..  trans-114.645.7-174.5-59.5-57000111.3N312 E316 T317 K318N312-N314 VanDerWaalsContact C-N 3.33Å; N312-N314 PolarHBondContact OD1-N 2.82Å; N314-E316 PolarHBondContact O-N 3.27Å; N314-E316 VanDerWaalsContact O-N 3.08Å; N314-T317 PolarHBondContact O-N 3.01Å; N314-T317 PolarHBondContact O-OG1 3.21Å; N314-K318 HydrophobicContact CB-CB 4.32Å; N314-K318 PolarHBondContact O-N 3.25Å
315K92.3Very high95.9Very high122 Ų12269.2 Ų69.253%0.5332%0.324SS..THydrogen-bonded Turntrans-57.9-25.5-174.3-63.7-173.3175.1-175.70114.1D310 N312D310-K315 IonicContact OD1-NZ 3.1Å; D310-K315 PolarHBondContact OD1-NZ 3.34Å; N312-K315 HydrophobicContact CB-CG 4.45Å; N312-K315 VanDerWaalsContact O-CG 3.32Å; N312-K315 WeakPolarHBondContact O-CG 3.18Å
316E89.9Confident95.9Very high196 Ų19667.9 Ų67.992%0.91632%0.319SS*.THydrogen-bonded Turntrans-74.8-27.7179.3-62.5-179.5175.700113.4N314N314-E316 PolarHBondContact O-N 3.27Å; N314-E316 VanDerWaalsContact O-N 3.08Å
317T89.6Confident95.9Very high119 Ų11961 Ų6173%0.7329%0.294SS*.THydrogen-bonded Turntrans-119.5-16.2-172.1570000113.4N314N314-T317 PolarHBondContact O-N 3.01Å; N314-T317 PolarHBondContact O-OG1 3.21Å
318K90.6Very high95.8Very high16 Ų1659.6 Ų59.67%0.0729%0.289CS..  trans-131111.2-177.6-171.8167.4-174.4169.70110.1C255 F260 N312 N314C255-K318 PolarHBondContact O-NZ 3.09Å; F260-K318 PolarHBondContact O-NZ 3.19Å; N312-K318 PolarHBondContact ND2-O 2.87Å; N314-K318 HydrophobicContact CB-CB 4.32Å; N314-K318 PolarHBondContact O-N 3.25Å
319E91.5Very high95.8Very high121 Ų12163 Ų6357%0.56531%0.307SS*.  trans-87.8143.4173-170171.6-160.700110.4Y321E319-Y321 HydrophobicContact CB-CE1 4.47Å; E319-Y321 HydrophobicContact CB-CE2 4.29Å; E319-Y321 VanDerWaalsContact CD-CE1 3.42Å; E319-Y321 HydrophobicContact CG-CD1 4.42Å; E319-Y321 HydrophobicContact CG-CE1 3.88Å; E319-Y321 HydrophobicContact CG-CE2 4.45Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.24Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.48Å; E319-Y321 PolarHBondContact OE2-OH 3.33Å
320I95.7Very high95.8Very high20 Ų2062.6 Ų62.610%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-106121.9171.4-65.9168.6000108F251 L265 L267 E309 N312 S322F251-I320 HydrophobicContact CE1-CD1 3.76Å; F251-I320 HydrophobicContact CZ-CD1 3.61Å; F251-I320 HydrophobicContact CZ-CG1 4.3Å; F251-I320 HydrophobicContact CZ-CG2 4.35Å; L265-I320 HydrophobicContact CD2-CD1 4.46Å; L265-I320 HydrophobicContact CD2-CG1 4.08Å; L265-I320 HydrophobicContact CG-CG1 4.49Å; L267-I320 HydrophobicContact CB-CG2 3.72Å; L267-I320 HydrophobicContact CD2-CG2 4.41Å; E309-I320 HydrophobicContact CG-CG2 4.49Å; N312-I320 HydrophobicContact CB-CD1 3.58Å; N312-I320 HydrophobicContact CB-CG1 4.48Å; I320-S322 PolarHBondContact O-N 3.46Å
321Y96Very high95.8Very high43 Ų4362.1 Ų62.117%0.16931%0.313CS..EExtended strand (participates in β ladder)trans-93.699.1177.8-57.6-78.2000110.2L265 I266 L267 E319 V343 N347L265-Y321 PolarHBondContact O-N 3.23Å; I266-Y321 CarbonylContact C-O 3.57Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; L267-Y321 PolarHBondContact N-O 2.96Å; E319-Y321 HydrophobicContact CB-CE1 4.47Å; E319-Y321 HydrophobicContact CB-CE2 4.29Å; E319-Y321 VanDerWaalsContact CD-CE1 3.42Å; E319-Y321 HydrophobicContact CG-CD1 4.42Å; E319-Y321 HydrophobicContact CG-CE1 3.88Å; E319-Y321 HydrophobicContact CG-CE2 4.45Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.24Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.48Å; E319-Y321 PolarHBondContact OE2-OH 3.33Å; Y321-V343 HydrophobicContact CD1-CG1 3.81Å; Y321-V343 HydrophobicContact CD1-CG2 4.23Å; Y321-V343 HydrophobicContact CD2-CG1 3.66Å; Y321-V343 HydrophobicContact CE1-CG1 3.56Å; Y321-V343 HydrophobicContact CE1-CG2 4.32Å; Y321-V343 HydrophobicContact CE2-CG1 3.38Å; Y321-V343 HydrophobicContact CG-CG1 3.86Å; Y321-N347 PolarHBondContact OH-ND2 3.14Å
322S97.9Very high95.8Very high25 Ų2561 Ų6118%0.17531%0.307CS..EExtended strand (participates in β ladder)trans-92131.9-174.7-60.30000112.6L267 E309 I320L267-S322 WeakPolarHBondContact O-CA 3.45Å; E309-S322 VanDerWaalsContact OE1-CB 3.28Å; E309-S322 WeakPolarHBondContact OE1-CB 3.28Å; E309-S322 PolarHBondContact OE1-OG 2.82Å; I320-S322 PolarHBondContact O-N 3.46Å
323H98.3Very high95.8Very high41 Ų4160.6 Ų60.619%0.1931%0.305CS..EExtended strand (participates in β ladder)trans-136.4131.1176.6-65.8-87.8000112L267 F268 L269 T325 V336L267-H323 PolarHBondContact O-N 3.44Å; F268-H323 HydrophobicContact CD1-CB 4.33Å; F268-H323 HydrophobicContact CE1-CB 4.43Å; L269-H323 PolarHBondContact N-O 3.23Å; H323-T325 HydrophobicContact CB-CG2 4.5Å; H323-V336 HydrophobicContact CB-CG1 3.57Å; H323-V336 HydrophobicContact CB-CG2 4.23Å
324F98.6Very high95.8Very high52 Ų5257.3 Ų57.323%0.22830%0.297CS..EExtended strand (participates in β ladder)trans-77.7120.9170.4-63.9-71.8000110.8L228 L269 K272 A301 Q305L228-F324 HydrophobicContact CD1-CD1 4Å; L228-F324 HydrophobicContact CD1-CE1 4.41Å; L269-F324 HydrophobicContact CB-CD1 3.67Å; L269-F324 HydrophobicContact CB-CE1 3.94Å; L269-F324 HydrophobicContact CD1-CD1 3.93Å; L269-F324 HydrophobicContact CD1-CE1 3.45Å; L269-F324 VanDerWaalsContact CD1-CE1 3.45Å; L269-F324 HydrophobicContact CD1-CZ 3.87Å; L269-F324 HydrophobicContact CG-CD1 4.47Å; L269-F324 HydrophobicContact CG-CE1 4.32Å; L269-F324 WeakPolarHBondContact O-CA 3.49Å; K272-F324 HydrophobicContact CD-CB 4.06Å; A301-F324 HydrophobicContact CB-CD1 4.21Å; A301-F324 HydrophobicContact CB-CE1 3.54Å; A301-F324 HydrophobicContact CB-CZ 3.95Å; Q305-F324 HydrophobicContact CB-CZ 4.15Å
325T98.6Very high96Very high0 Ų060.7 Ų60.70%031%0.308CS..  trans-123.1151.8-17349.60000113F268 L269 N270 K271 K272 H323 N332 I333 V336F268-T325 HydrophobicContact CB-CG2 4.48Å; F268-T325 HydrophobicContact CD1-CG2 4.23Å; F268-T325 HydrophobicContact CD2-CG2 4.16Å; F268-T325 HydrophobicContact CE2-CG2 4.46Å; F268-T325 HydrophobicContact CG-CG2 4.05Å; L269-T325 PolarHBondContact O-N 3.14Å; N270-T325 CarbonylContact C-O 3.58Å; N270-T325 WeakPolarHBondContact CA-O 3.26Å; N270-T325 WeakPolarHBondContact CA-OG1 3.36Å; N270-T325 WeakPolarHBondContact CB-OG1 3.17Å; N270-T325 PolarHBondContact OD1-O 3.37Å; N270-T325 PolarHBondContact OD1-OG1 3.31Å; K271-T325 PolarHBondContact N-O 3.49Å; K272-T325 WeakPolarHBondContact CG-O 3.38Å; K272-T325 PolarHBondContact N-O 2.97Å; H323-T325 HydrophobicContact CB-CG2 4.5Å; T325-N332 WeakPolarHBondContact CA-OD1 3.46Å; T325-I333 HydrophobicContact CG2-CD1 3.94Å; T325-V336 HydrophobicContact CG2-CB 4.27Å; T325-V336 HydrophobicContact CG2-CG1 3.9Å; T325-V336 HydrophobicContact CG2-CG2 4.06Å
326C98.2Very high96.2Very high10 Ų1055 Ų557%0.06828%0.284CS..  trans-124.3101.9159.9175.50000106.3K272 T328 D329 N332K272-C326 HydrophobicContact CG-CB 4.35Å; C326-T328 PolarHBondContact O-N 3.25Å; C326-T328 VanDerWaalsContact O-N 3.12Å; C326-T328 PolarHBondContact SG-OG1 3.27Å; C326-D329 HydrophobicContact CB-CB 3.93Å; C326-D329 WeakPolarHBondContact O-CB 3.49Å; C326-D329 PolarHBondContact O-N 3.41Å; C326-N332 PolarHBondContact N-OD1 2.94Å
327A97.8Very high96.4Very high5 Ų545.8 Ų45.84%0.04124%0.241CC..THydrogen-bonded Turntrans-63.1-19.6-172.600000114.4T48 I49 Q52 N270T48-A327 HydrophobicContact CG2-CB 3.65Å; T48-A327 WeakPolarHBondContact CG2-O 3.44Å; I49-A327 HydrophobicContact CD1-CB 3.79Å; I49-A327 HydrophobicContact CG1-CB 4.44Å; Q52-A327 WeakPolarHBondContact CG-O 3.39Å; Q52-A327 PolarHBondContact NE2-O 3.26Å; N270-A327 PolarHBondContact OD1-N 2.73Å
328T97.1Very high96.6Very high28 Ų2843 Ų4317%0.17222%0.221CC..THydrogen-bonded Turntrans-84-16.8173.454.40000112.5T48 L176 R177 C326 T330T48-T328 HydrophobicContact CG2-CG2 4.38Å; L176-T328 HydrophobicContact CB-CG2 4.23Å; R177-T328 HydrophobicContact CG-CG2 4.06Å; C326-T328 PolarHBondContact O-N 3.25Å; C326-T328 VanDerWaalsContact O-N 3.12Å; C326-T328 PolarHBondContact SG-OG1 3.27Å; T328-T330 PolarHBondContact O-N 3.22Å
329D98Very high96.8Very high70 Ų7043.7 Ų43.737%0.37423%0.23SC..  trans-85.5102.3174.6179.1-11.1000110.5C326 S331 N332 I333C326-D329 HydrophobicContact CB-CB 3.93Å; C326-D329 WeakPolarHBondContact O-CB 3.49Å; C326-D329 PolarHBondContact O-N 3.41Å; D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 2.85Å; D329-S331 WeakPolarHBondContact OD1-CB 3.42Å; D329-S331 PolarHBondContact OD1-N 3.12Å; D329-N332 HydrophobicContact CB-CB 3.84Å; D329-N332 VanDerWaalsContact CG-CB 3.45Å; D329-N332 PolarHBondContact O-N 3.25Å; D329-N332 PolarHBondContact OD1-N 3.44Å; D329-N332 WeakPolarHBondContact OD2-CB 3.48Å; D329-I333 PolarHBondContact O-N 2.71Å
330T97.9Very high96.8Very high45 Ų4537.9 Ų37.928%0.27620%0.203SC..Hα-helixtrans-57.9-41-178.8-53.10000112.3Q52 I55 I56 T328 I333 Q334Q52-T330 PolarHBondContact NE2-OG1 3.13Å; Q52-T330 PolarHBondContact OE1-OG1 3.49Å; I55-T330 HydrophobicContact CG2-CG2 4.14Å; I56-T330 HydrophobicContact CD1-CG2 4.27Å; I56-T330 HydrophobicContact CG1-CG2 3.85Å; T328-T330 PolarHBondContact O-N 3.22Å; T330-I333 PolarHBondContact O-N 3.35Å; T330-Q334 WeakPolarHBondContact O-CB 3.3Å; T330-Q334 PolarHBondContact O-N 2.95Å
331S97.8Very high96.6Very high87 Ų8737 Ų3761%0.60820%0.198SC*.Hα-helixtrans-67.4-41.9-179.5-60.30000111D329 F335D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 2.85Å; D329-S331 WeakPolarHBondContact OD1-CB 3.42Å; D329-S331 PolarHBondContact OD1-N 3.12Å; S331-F335 WeakPolarHBondContact O-CB 3.49Å; S331-F335 PolarHBondContact O-N 3.12Å
332N98.1Very high96.3Very high19 Ų1938.6 Ų38.610%0.10221%0.21CC..Hα-helixtrans-63-45175.3175.8-113.4000111.9K272 T325 C326 D329 F335 V336K272-N332 PolarHBondContact NZ-ND2 3.47Å; T325-N332 WeakPolarHBondContact CA-OD1 3.46Å; C326-N332 PolarHBondContact N-OD1 2.94Å; D329-N332 HydrophobicContact CB-CB 3.84Å; D329-N332 VanDerWaalsContact CG-CB 3.45Å; D329-N332 PolarHBondContact O-N 3.25Å; D329-N332 PolarHBondContact OD1-N 3.44Å; D329-N332 WeakPolarHBondContact OD2-CB 3.48Å; N332-F335 PolarHBondContact O-N 3.07Å; N332-V336 WeakPolarHBondContact O-CB 3.44Å; N332-V336 VanDerWaalsContact O-CG2 3.31Å; N332-V336 WeakPolarHBondContact O-CG2 3.49Å; N332-V336 PolarHBondContact O-N 2.92Å
333I98.1Very high95.8Very high1 Ų138.8 Ų38.81%0.00521%0.209CC..Hα-helixtrans-67.9-39.4179.1-66-50.6000111.9I49 Q52 M53 I56 T325 D329 T330 V336 F337I49-I333 HydrophobicContact CD1-CD1 3.44Å; I49-I333 VanDerWaalsContact CD1-CD1 3.44Å; I49-I333 HydrophobicContact CD1-CG1 4.01Å; I49-I333 HydrophobicContact CD1-CG2 4.35Å; Q52-I333 HydrophobicContact CB-CB 4.41Å; Q52-I333 HydrophobicContact CB-CG2 3.76Å; Q52-I333 HydrophobicContact CG-CB 4.31Å; Q52-I333 HydrophobicContact CG-CG1 4.19Å; Q52-I333 HydrophobicContact CG-CG2 4.15Å; M53-I333 HydrophobicContact CE-CG2 3.73Å; I56-I333 HydrophobicContact CD1-CB 4.36Å; I56-I333 HydrophobicContact CD1-CG2 3.96Å; T325-I333 HydrophobicContact CG2-CD1 3.94Å; D329-I333 PolarHBondContact O-N 2.71Å; T330-I333 PolarHBondContact O-N 3.35Å; I333-V336 PolarHBondContact O-N 3.12Å; I333-F337 WeakPolarHBondContact O-CB 3.36Å; I333-F337 PolarHBondContact O-N 3.01Å
334Q96.9Very high95.3Very high106 Ų10636.9 Ų36.950%0.49520%0.201SC..Hα-helixtrans-60.1-47.6175.4-173.6173.310.200111.5I56 T330 F337 D338I56-Q334 HydrophobicContact CD1-CB 3.97Å; I56-Q334 HydrophobicContact CG2-CB 4.35Å; I56-Q334 HydrophobicContact CG2-CG 3.95Å; T330-Q334 WeakPolarHBondContact O-CB 3.3Å; T330-Q334 PolarHBondContact O-N 2.95Å; Q334-F337 PolarHBondContact O-N 3.23Å; Q334-D338 WeakPolarHBondContact O-CB 3.49Å; Q334-D338 PolarHBondContact O-N 2.97Å
335F96.8Very high94.7Very high149 Ų14936.5 Ų36.565%0.65420%0.201SC*.Hα-helixtrans-61.6-48.1177.7175.3-96.2000112.4S331 N332 D338 A339S331-F335 WeakPolarHBondContact O-CB 3.49Å; S331-F335 PolarHBondContact O-N 3.12Å; N332-F335 PolarHBondContact O-N 3.07Å; F335-D338 PolarHBondContact O-N 3.41Å; F335-A339 PolarHBondContact O-N 3.41Å
336V96.2Very high94Very high3 Ų341.6 Ų41.62%0.01822%0.224CC..Hα-helixtrans-66.1-41.4-179170.50000111F268 H323 T325 N332 I333 D338 A339 V340F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.44Å; F268-V336 VanDerWaalsContact CE1-CG1 3.44Å; F268-V336 HydrophobicContact CZ-CG1 3.63Å; H323-V336 HydrophobicContact CB-CG1 3.57Å; H323-V336 HydrophobicContact CB-CG2 4.23Å; T325-V336 HydrophobicContact CG2-CB 4.27Å; T325-V336 HydrophobicContact CG2-CG1 3.9Å; T325-V336 HydrophobicContact CG2-CG2 4.06Å; N332-V336 WeakPolarHBondContact O-CB 3.44Å; N332-V336 VanDerWaalsContact O-CG2 3.31Å; N332-V336 WeakPolarHBondContact O-CG2 3.49Å; N332-V336 PolarHBondContact O-N 2.92Å; I333-V336 PolarHBondContact O-N 3.12Å; V336-D338 VanDerWaalsContact C-N 3.33Å; V336-D338 PolarHBondContact O-N 2.73Å; V336-A339 PolarHBondContact O-N 2.72Å; V336-V340 HydrophobicContact CG1-CG2 4.26Å; V336-V340 WeakPolarHBondContact O-CB 3.35Å; V336-V340 VanDerWaalsContact O-CG2 3.25Å; V336-V340 WeakPolarHBondContact O-CG2 3.49Å; V336-V340 PolarHBondContact O-N 3.29Å
337F94.8Very high93.1Very high2 Ų242.9 Ų42.91%0.00923%0.231CC..Hα-helixtrans-68-34.1-179.5-165.9-95.4000112.4L36 M53 H57 F190 F192 F197 M199 I223 I333 Q334 T341L36-F337 HydrophobicContact CD1-CE2 3.66Å; L36-F337 HydrophobicContact CD1-CZ 3.72Å; M53-F337 HydrophobicContact CE-CB 4.22Å; M53-F337 HydrophobicContact CE-CD1 4.4Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CG 3.92Å; M53-F337 HydrophobicContact SD-CD1 3.93Å; M53-F337 HydrophobicContact SD-CD2 3.71Å; M53-F337 HydrophobicContact SD-CE1 3.89Å; M53-F337 HydrophobicContact SD-CE2 3.66Å; M53-F337 HydrophobicContact SD-CG 3.85Å; M53-F337 HydrophobicContact SD-CZ 3.77Å; H57-F337 AromaticContact NE2-CD1 3.81Å; F190-F337 AromaticContact CE2-CE1 3.79Å; F190-F337 HydrophobicContact CE2-CE1 3.79Å; F190-F337 AromaticContact CE2-CZ 3.83Å; F190-F337 HydrophobicContact CE2-CZ 3.83Å; F190-F337 HydrophobicContact CZ-CE1 4.02Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.58Å; F190-F337 HydrophobicContact CZ-CZ 3.58Å; F192-F337 HydrophobicContact CD1-CD1 4.23Å; F192-F337 AromaticContact CD1-CE1 3.95Å; F192-F337 HydrophobicContact CD1-CE1 3.95Å; F192-F337 HydrophobicContact CE1-CD1 4.27Å; F192-F337 HydrophobicContact CE1-CE1 4.4Å; F197-F337 HydrophobicContact CD1-CZ 4.07Å; F197-F337 HydrophobicContact CE1-CE1 4.42Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.48Å; M199-F337 HydrophobicContact CE-CE2 4Å; I223-F337 HydrophobicContact CD1-CE2 4.4Å; I333-F337 WeakPolarHBondContact O-CB 3.36Å; I333-F337 PolarHBondContact O-N 3.01Å; Q334-F337 PolarHBondContact O-N 3.23Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.4Å; F337-T341 VanDerWaalsContact O-CB 3.31Å; F337-T341 WeakPolarHBondContact O-CB 3.07Å; F337-T341 PolarHBondContact O-N 2.88Å; F337-T341 PolarHBondContact O-OG1 2.94Å
338D94.7Very high92.1Very high59 Ų5944.9 Ų44.932%0.31624%0.241SC..Hα-helixtrans-62.5-49.7173.4-167.737.3000111.5F192 K193 Q334 F335 V336 V340 T341 D342F192-D338 WeakPolarHBondContact CZ-OD1 3.37Å; K193-D338 WeakPolarHBondContact CE-OD1 3.46Å; K193-D338 IonicContact NZ-OD1 3.36Å; K193-D338 PolarHBondContact NZ-OD1 3.27Å; Q334-D338 WeakPolarHBondContact O-CB 3.49Å; Q334-D338 PolarHBondContact O-N 2.97Å; F335-D338 PolarHBondContact O-N 3.41Å; V336-D338 VanDerWaalsContact C-N 3.33Å; V336-D338 PolarHBondContact O-N 2.73Å; D338-V340 PolarHBondContact O-N 2.79Å; D338-T341 WeakPolarHBondContact O-CB 3.24Å; D338-T341 PolarHBondContact O-N 3.44Å; D338-T341 VanDerWaalsContact O-N 3.16Å; D338-D342 PolarHBondContact O-N 3.45Å; D338-D342 VanDerWaalsContact O-N 3.11Å
339A93.4Very high90.9Very high31 Ų3146.6 Ų46.626%0.25625%0.249SC..Hα-helixtrans-60.1-43.7176.900000112.5F335 V336 T341 D342 V343F335-A339 PolarHBondContact O-N 3.41Å; V336-A339 PolarHBondContact O-N 2.72Å; A339-T341 VanDerWaalsContact C-N 3.33Å; A339-T341 PolarHBondContact O-N 2.84Å; A339-D342 PolarHBondContact O-N 3.44Å; A339-V343 PolarHBondContact O-N 3.23Å
340V92Very high89.4Confident0 Ų048.8 Ų48.80%026%0.255CS..Hα-helixtrans-63.4-39.8176.2165.20000111.5I266 F268 V336 D338 D342 V343 I344I266-V340 HydrophobicContact CD1-CG1 3.49Å; I266-V340 VanDerWaalsContact CD1-CG1 3.49Å; I266-V340 HydrophobicContact CG1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG2 4.27Å; I266-V340 HydrophobicContact CG2-CG1 4.28Å; I266-V340 HydrophobicContact CG2-CG2 3.64Å; F268-V340 HydrophobicContact CE1-CG2 3.99Å; F268-V340 HydrophobicContact CZ-CG2 4.44Å; V336-V340 HydrophobicContact CG1-CG2 4.26Å; V336-V340 WeakPolarHBondContact O-CB 3.35Å; V336-V340 VanDerWaalsContact O-CG2 3.25Å; V336-V340 WeakPolarHBondContact O-CG2 3.49Å; V336-V340 PolarHBondContact O-N 3.29Å; D338-V340 PolarHBondContact O-N 2.79Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.05Å; V340-V343 PolarHBondContact O-N 3.43Å; V340-I344 HydrophobicContact CG1-CD1 3.6Å; V340-I344 HydrophobicContact CG1-CG1 4.26Å; V340-I344 VanDerWaalsContact O-CG1 3.25Å; V340-I344 WeakPolarHBondContact O-CG1 3.26Å; V340-I344 PolarHBondContact O-N 3Å
341T92Very high87.7Confident0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-62.5-42.6178.9-65.60000111.2F192 K193 F197 F337 D338 A339 V343 I344 I345F192-T341 HydrophobicContact CD1-CG2 3.89Å; F192-T341 HydrophobicContact CE1-CG2 3.77Å; K193-T341 HydrophobicContact CD-CG2 4.04Å; F197-T341 HydrophobicContact CZ-CG2 3.82Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.4Å; F337-T341 VanDerWaalsContact O-CB 3.31Å; F337-T341 WeakPolarHBondContact O-CB 3.07Å; F337-T341 PolarHBondContact O-N 2.88Å; F337-T341 PolarHBondContact O-OG1 2.94Å; D338-T341 WeakPolarHBondContact O-CB 3.24Å; D338-T341 PolarHBondContact O-N 3.44Å; D338-T341 VanDerWaalsContact O-N 3.16Å; A339-T341 VanDerWaalsContact C-N 3.33Å; A339-T341 PolarHBondContact O-N 2.84Å; T341-V343 VanDerWaalsContact C-N 3.33Å; T341-V343 PolarHBondContact O-N 2.7Å; T341-I344 PolarHBondContact O-N 2.92Å; T341-I345 HydrophobicContact CG2-CD1 3.6Å; T341-I345 HydrophobicContact CG2-CG1 4.2Å; T341-I345 WeakPolarHBondContact O-CB 3.26Å; T341-I345 VanDerWaalsContact O-CG1 3.23Å; T341-I345 WeakPolarHBondContact O-CG1 3.4Å; T341-I345 PolarHBondContact O-N 3.26Å
342D89.6Confident85.8Confident78 Ų7854.3 Ų54.342%0.41726%0.263SS..Hα-helixtrans-62.3-40.9178.5-71.5-21.1000112.1K193 D338 A339 V340 I345 Q346K193-D342 VanDerWaalsContact NZ-CG 3.35Å; K193-D342 IonicContact NZ-OD1 2.67Å; K193-D342 PolarHBondContact NZ-OD1 3.34Å; K193-D342 IonicContact NZ-OD2 2.78Å; K193-D342 PolarHBondContact NZ-OD2 3.07Å; D338-D342 PolarHBondContact O-N 3.45Å; D338-D342 VanDerWaalsContact O-N 3.11Å; A339-D342 PolarHBondContact O-N 3.44Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.05Å; D342-I345 PolarHBondContact O-N 2.68Å; D342-Q346 WeakPolarHBondContact O-CB 3.49Å; D342-Q346 PolarHBondContact O-N 3.09Å
343V86.7Confident83.6Confident28 Ų2856.4 Ų56.417%0.1729%0.289CS..Hα-helixtrans-62.8-46.7174.3172.70000111.5Y321 A339 V340 T341 I345 Q346 N347Y321-V343 HydrophobicContact CD1-CG1 3.81Å; Y321-V343 HydrophobicContact CD1-CG2 4.23Å; Y321-V343 HydrophobicContact CD2-CG1 3.66Å; Y321-V343 HydrophobicContact CE1-CG1 3.56Å; Y321-V343 HydrophobicContact CE1-CG2 4.32Å; Y321-V343 HydrophobicContact CE2-CG1 3.38Å; Y321-V343 HydrophobicContact CG-CG1 3.86Å; A339-V343 PolarHBondContact O-N 3.23Å; V340-V343 PolarHBondContact O-N 3.43Å; T341-V343 VanDerWaalsContact C-N 3.33Å; T341-V343 PolarHBondContact O-N 2.7Å; V343-I345 VanDerWaalsContact C-N 3.32Å; V343-I345 PolarHBondContact O-N 3.33Å; V343-Q346 PolarHBondContact O-N 3.37Å; V343-N347 WeakPolarHBondContact O-CB 3.44Å; V343-N347 PolarHBondContact O-N 3.19Å
344I88.5Confident81.3Confident1 Ų162.1 Ų62.11%0.00532%0.319CS..Hα-helixtrans-61.4-43.4178.9-69169.1000110.4I34 L36 T220 A221 I266 V340 T341 N347 N348I34-I344 HydrophobicContact CD1-CG2 4.24Å; I34-I344 HydrophobicContact CG2-CG2 3.95Å; L36-I344 HydrophobicContact CD2-CD1 3.73Å; T220-I344 HydrophobicContact CG2-CG2 4.04Å; A221-I344 HydrophobicContact CB-CD1 3.7Å; A221-I344 HydrophobicContact CB-CG1 3.87Å; I266-I344 HydrophobicContact CD1-CD1 3.83Å; I266-I344 HydrophobicContact CD1-CG1 4.07Å; V340-I344 HydrophobicContact CG1-CD1 3.6Å; V340-I344 HydrophobicContact CG1-CG1 4.26Å; V340-I344 VanDerWaalsContact O-CG1 3.25Å; V340-I344 WeakPolarHBondContact O-CG1 3.26Å; V340-I344 PolarHBondContact O-N 3Å; T341-I344 PolarHBondContact O-N 2.92Å; I344-N347 PolarHBondContact O-N 2.77Å; I344-N348 VanDerWaalsContact CG2-ND2 3.3Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.26Å; I344-N348 WeakPolarHBondContact O-CB 3.11Å; I344-N348 PolarHBondContact O-N 3Å; I344-N348 PolarHBondContact O-ND2 3.12Å
345I85.4Confident78.6Confident45 Ų4563.9 Ų63.923%0.23134%0.341CS..Hα-helixtrans-63-48.4178.2-70170.6000110.1K193 L195 T341 D342 V343 N347 N348 L349K193-I345 HydrophobicContact CD-CD1 4.5Å; L195-I345 HydrophobicContact CD1-CD1 3.56Å; L195-I345 HydrophobicContact CD1-CG1 3.56Å; T341-I345 HydrophobicContact CG2-CD1 3.6Å; T341-I345 HydrophobicContact CG2-CG1 4.2Å; T341-I345 WeakPolarHBondContact O-CB 3.26Å; T341-I345 VanDerWaalsContact O-CG1 3.23Å; T341-I345 WeakPolarHBondContact O-CG1 3.4Å; T341-I345 PolarHBondContact O-N 3.26Å; D342-I345 PolarHBondContact O-N 2.68Å; V343-I345 VanDerWaalsContact C-N 3.32Å; V343-I345 PolarHBondContact O-N 3.33Å; I345-N347 VanDerWaalsContact C-N 3.31Å; I345-N347 PolarHBondContact O-N 3.04Å; I345-N348 PolarHBondContact O-N 3.19Å; I345-L349 HydrophobicContact CG2-CD1 3.76Å; I345-L349 HydrophobicContact CG2-CG 4.25Å; I345-L349 WeakPolarHBondContact O-CB 3.47Å; I345-L349 VanDerWaalsContact O-CG 3.31Å; I345-L349 WeakPolarHBondContact O-CG 3.46Å; I345-L349 PolarHBondContact O-N 2.96Å
346Q83.7Confident77.7Confident106 Ų10659.7 Ų59.750%0.49533%0.326SS..Hα-helixtrans-58.8-43.1179.8-169.8-17811.500111.8D342 V343 K350D342-Q346 WeakPolarHBondContact O-CB 3.49Å; D342-Q346 PolarHBondContact O-N 3.09Å; V343-Q346 PolarHBondContact O-N 3.37Å; Q346-K350 WeakPolarHBondContact O-CG 3.27Å; Q346-K350 PolarHBondContact O-N 3.42Å; Q346-K350 VanDerWaalsContact O-N 3.14Å
347N80.8Confident76.8Confident37 Ų3762.6 Ų62.620%0.19834%0.342CS..Hα-helixtrans-70.8-37.6179.4-72.8-16000112.7S264 Y321 V343 I344 I345 Y351S264-N347 PolarHBondContact OG-ND2 3.06Å; Y321-N347 PolarHBondContact OH-ND2 3.14Å; V343-N347 WeakPolarHBondContact O-CB 3.44Å; V343-N347 PolarHBondContact O-N 3.19Å; I344-N347 PolarHBondContact O-N 2.77Å; I345-N347 VanDerWaalsContact C-N 3.31Å; I345-N347 PolarHBondContact O-N 3.04Å; N347-Y351 PolarHBondContact O-N 3.36Å
348N75.3Confident75.8Confident47 Ų4766 Ų6625%0.25136%0.361SS..Hα-helixtrans-66.3-40.4174-81.4-63.4000112.6T220 I344 I345 Y351 I352T220-N348 WeakPolarHBondContact CG2-ND2 3.32Å; T220-N348 WeakPolarHBondContact CG2-OD1 3.4Å; I344-N348 VanDerWaalsContact CG2-ND2 3.3Å; I344-N348 WeakPolarHBondContact CG2-ND2 3.26Å; I344-N348 WeakPolarHBondContact O-CB 3.11Å; I344-N348 PolarHBondContact O-N 3Å; I344-N348 PolarHBondContact O-ND2 3.12Å; I345-N348 PolarHBondContact O-N 3.19Å; N348-Y351 PolarHBondContact O-N 3.03Å; N348-I352 WeakPolarHBondContact O-CD1 3.25Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.3Å; N348-I352 PolarHBondContact O-N 3.28Å; N348-I352 VanDerWaalsContact O-N 3.1Å
349L71.9Confident74.6Confident65 Ų6566.4 Ų66.434%0.3436%0.363SS..Hα-helixtrans-66.1-39.1178.8-71174.1000112.4I345 Y351 I352 G353 L354I345-L349 HydrophobicContact CG2-CD1 3.76Å; I345-L349 HydrophobicContact CG2-CG 4.25Å; I345-L349 WeakPolarHBondContact O-CB 3.47Å; I345-L349 VanDerWaalsContact O-CG 3.31Å; I345-L349 WeakPolarHBondContact O-CG 3.46Å; I345-L349 PolarHBondContact O-N 2.96Å; L349-Y351 VanDerWaalsContact C-N 3.31Å; L349-Y351 PolarHBondContact O-N 2.8Å; L349-I352 PolarHBondContact O-N 2.99Å; L349-G353 PolarHBondContact O-N 3.48Å; L349-L354 HydrophobicContact CD2-CB 4.47Å; L349-L354 HydrophobicContact CD2-CD1 4.33Å; L349-L354 PolarHBondContact O-N 2.87Å
350K67.1Low73.5Confident116 Ų11668.6 Ų68.650%0.50437%0.37SS..Hα-helixtrans-57.5-43.5171.4-74.5173.7-177.3171.70111.6Q346 I352 G353Q346-K350 WeakPolarHBondContact O-CG 3.27Å; Q346-K350 PolarHBondContact O-N 3.42Å; Q346-K350 VanDerWaalsContact O-N 3.14Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I352 PolarHBondContact O-N 2.85Å; K350-G353 PolarHBondContact O-N 3.39Å
351Y61.7Low72.2Confident182 Ų18273.2 Ų73.271%0.71440%0.395SS*.Hα-helixtrans-67.2-31.8179.4-168.7-97.7000113.2N347 N348 L349 G353N347-Y351 PolarHBondContact O-N 3.36Å; N348-Y351 PolarHBondContact O-N 3.03Å; L349-Y351 VanDerWaalsContact C-N 3.31Å; L349-Y351 PolarHBondContact O-N 2.8Å; Y351-G353 VanDerWaalsContact C-N 3.29Å; Y351-G353 PolarHBondContact O-N 3.03Å
352I58.6Low70.8Confident65 Ų6578.4 Ų78.433%0.33342%0.423SS..Hα-helixtrans-81.1-8.3178.8-60.5164000112N348 L349 K350 L354N348-I352 WeakPolarHBondContact O-CD1 3.25Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.3Å; N348-I352 PolarHBondContact O-N 3.28Å; N348-I352 VanDerWaalsContact O-N 3.1Å; L349-I352 PolarHBondContact O-N 2.99Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I352 PolarHBondContact O-N 2.85Å; I352-L354 HydrophobicContact CB-CD1 4.45Å; I352-L354 HydrophobicContact CG2-CD1 3.77Å; I352-L354 HydrophobicContact CG2-CG 4.11Å
353G51.8Low69.4Low64 Ų6478.5 Ų78.566%0.6642%0.423SS*.THydrogen-bonded Turntrans76.530.5-18000000114L349 K350 Y351L349-G353 PolarHBondContact O-N 3.48Å; K350-G353 PolarHBondContact O-N 3.39Å; Y351-G353 VanDerWaalsContact C-N 3.29Å; Y351-G353 PolarHBondContact O-N 3.03Å
354L49.5Very low67.9Low121 Ų12182.7 Ų82.763%0.63444%0.444SS*.  trans-1075.9-178.8-72.5170.6000114.2L349 I352L349-L354 HydrophobicContact CD2-CB 4.47Å; L349-L354 HydrophobicContact CD2-CD1 4.33Å; L349-L354 PolarHBondContact O-N 2.87Å; I352-L354 HydrophobicContact CB-CD1 4.45Å; I352-L354 HydrophobicContact CG2-CD1 3.77Å; I352-L354 HydrophobicContact CG2-CG 4.11Å
355C41.1Very low66.1Low143 Ų14390.1 Ų90.197%0.96648%0.484SS*.  trans-126.60173.6-67.50000111.3

Retrieved 355 of 355 residues in 2100.4 ms (Link to these results)

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