A0A5K4F0S8_SCHMA Loading...

Guanine nucleotide-binding protein G(I) subunit alpha

AlphaFold DB , UniProt , Accession A0A5K4F0S8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.1Very low62.9Low240 Ų240114.3 Ų114.3100%1.18267%0.666SS**  0109.20-70.3-171.5-139.100107.4C3M1-C3 PolarHBondContact O-N 2.96Å
2G50.3Low64.5Low79 Ų79117 Ų11781%0.81467%0.667SS**  trans-69116.1175.700000108.3A4G2-A4 PolarHBondContact O-N 2.81Å
3C52.8Low66Low116 Ų116113.5 Ų113.578%0.78464%0.642SS**  trans-62.493.5169.8-68.80000107.4M1 W5M1-C3 PolarHBondContact O-N 2.96Å; C3-W5 PolarHBondContact O-N 3.26Å
4A55Low67.4Low96 Ų96111.1 Ų111.179%0.79363%0.626SS**  trans-61.4104.516700000105.8G2 S6G2-A4 PolarHBondContact O-N 2.81Å; A4-S6 PolarHBondContact O-N 3.19Å
5W51.2Low68.7Low170 Ų170112.7 Ų112.764%0.64462%0.624SS**  trans-50.5126.2173.8-67.483.3000107.6C3 E7 A9C3-W5 PolarHBondContact O-N 3.26Å; W5-E7 PolarHBondContact O-N 3.32Å; W5-A9 HydrophobicContact CE3-CB 4.13Å
6S60.4Low69.9Low78 Ų78109.2 Ų109.255%0.54561%0.609SS.*  trans-57.4134.4172.656.30000107.6A4 P8 A9 K10A4-S6 PolarHBondContact O-N 3.19Å; S6-P8 WeakPolarHBondContact O-CD 3.38Å; S6-A9 WeakPolarHBondContact O-CA 3.33Å; S6-A9 WeakPolarHBondContact O-CB 3.47Å; S6-A9 PolarHBondContact O-N 3.4Å; S6-K10 PolarHBondContact O-N 2.81Å
7E70.2Confident71.1Confident160 Ų160112.1 Ų112.175%0.74861%0.609SS**Hα-helixtrans-46.3-36.5-176.6-159.9155.5-162.300114.2W5 A9 K10 V11W5-E7 PolarHBondContact O-N 3.32Å; E7-A9 PolarHBondContact O-N 3.3Å; E7-K10 PolarHBondContact O-N 2.9Å; E7-V11 WeakPolarHBondContact O-CG2 3.46Å; E7-V11 PolarHBondContact O-N 2.99Å; E7-V11 VanDerWaalsContact O-N 3.08Å
8P74Confident72.1Confident96 Ų96109.2 Ų109.262%0.62360%0.602SS**Hα-helixtrans-61.9-38.4172.7-22.233.9000114.4S6 V11 Q12S6-P8 WeakPolarHBondContact O-CD 3.38Å; P8-V11 PolarHBondContact O-N 3.46Å; P8-Q12 WeakPolarHBondContact O-CB 3.3Å; P8-Q12 PolarHBondContact O-N 3.08Å
9A76.6Confident73Confident26 Ų26108.8 Ų108.822%0.21560%0.598CS.*Hα-helixtrans-69.9-37.1-179.600000111.6W5 S6 E7 Q12 Q13W5-A9 HydrophobicContact CE3-CB 4.13Å; S6-A9 WeakPolarHBondContact O-CA 3.33Å; S6-A9 WeakPolarHBondContact O-CB 3.47Å; S6-A9 PolarHBondContact O-N 3.4Å; E7-A9 PolarHBondContact O-N 3.3Å; A9-Q12 PolarHBondContact O-N 3.44Å; A9-Q13 WeakPolarHBondContact O-CG 3.49Å; A9-Q13 PolarHBondContact O-N 3.37Å
10K79.4Confident73.8Confident125 Ų125109.3 Ų109.354%0.54360%0.596SS.*Hα-helixtrans-65.7-45.5174.4-167178.5177.8-1740111.1S6 E7 Q12 Q13 D14S6-K10 PolarHBondContact O-N 2.81Å; E7-K10 PolarHBondContact O-N 2.9Å; K10-Q12 VanDerWaalsContact C-N 3.3Å; K10-Q12 PolarHBondContact O-N 3.27Å; K10-Q13 PolarHBondContact O-N 3.41Å; K10-D14 WeakPolarHBondContact O-CB 3.48Å; K10-D14 VanDerWaalsContact O-CG 3.28Å; K10-D14 PolarHBondContact O-N 2.97Å
11V82.5Confident74.5Confident71 Ų71110.4 Ų110.443%0.4360%0.595SS.*Hα-helixtrans-60.7-38.5175.5173.50000111.8E7 P8 K15E7-V11 WeakPolarHBondContact O-CG2 3.46Å; E7-V11 PolarHBondContact O-N 2.99Å; E7-V11 VanDerWaalsContact O-N 3.08Å; P8-V11 PolarHBondContact O-N 3.46Å; V11-K15 HydrophobicContact CG1-CD 4.34Å; V11-K15 WeakPolarHBondContact O-CB 3.45Å; V11-K15 VanDerWaalsContact O-CG 3.3Å; V11-K15 WeakPolarHBondContact O-CG 3.45Å; V11-K15 PolarHBondContact O-N 3.25Å
12Q81.3Confident76.8Confident147 Ų147103.4 Ų103.469%0.68756%0.559SS**Hα-helixtrans-68.9-41.5177.2-171.9173.64.100112.5P8 A9 K10 K15 S16P8-Q12 WeakPolarHBondContact O-CB 3.3Å; P8-Q12 PolarHBondContact O-N 3.08Å; A9-Q12 PolarHBondContact O-N 3.44Å; K10-Q12 VanDerWaalsContact C-N 3.3Å; K10-Q12 PolarHBondContact O-N 3.27Å; Q12-K15 PolarHBondContact O-N 3Å; Q12-S16 PolarHBondContact O-N 3.42Å
13Q83.7Confident78.4Confident72 Ų72104.7 Ų104.734%0.33655%0.547SS..Hα-helixtrans-64.7-41.9174.7-77.2-179.4-5.800112.1A9 K10 K15 S16 R17A9-Q13 WeakPolarHBondContact O-CG 3.49Å; A9-Q13 PolarHBondContact O-N 3.37Å; K10-Q13 PolarHBondContact O-N 3.41Å; Q13-K15 VanDerWaalsContact C-N 3.33Å; Q13-K15 PolarHBondContact O-N 3.44Å; Q13-S16 PolarHBondContact O-N 3.03Å; Q13-R17 WeakPolarHBondContact O-CB 3.49Å; Q13-R17 WeakPolarHBondContact O-CG 3.37Å; Q13-R17 PolarHBondContact O-N 3.48Å
14D86.7Confident79.9Confident79 Ų79107.4 Ų107.442%0.42254%0.54SS..Hα-helixtrans-64.4-38.9177.6-70.6-22.1000111.2K10 A18K10-D14 WeakPolarHBondContact O-CB 3.48Å; K10-D14 VanDerWaalsContact O-CG 3.28Å; K10-D14 PolarHBondContact O-N 2.97Å; D14-A18 WeakPolarHBondContact O-CB 3.27Å; D14-A18 PolarHBondContact O-N 2.92Å
15K86.5Confident81.3Confident136 Ų136107.1 Ų107.159%0.59152%0.522SS*.Hα-helixtrans-63.8-45.4171.4-75.3177.6-178.6-176.60112.4V11 Q12 Q13 R17 A18 I19V11-K15 HydrophobicContact CG1-CD 4.34Å; V11-K15 WeakPolarHBondContact O-CB 3.45Å; V11-K15 VanDerWaalsContact O-CG 3.3Å; V11-K15 WeakPolarHBondContact O-CG 3.45Å; V11-K15 PolarHBondContact O-N 3.25Å; Q12-K15 PolarHBondContact O-N 3Å; Q13-K15 VanDerWaalsContact C-N 3.33Å; Q13-K15 PolarHBondContact O-N 3.44Å; K15-R17 PolarHBondContact O-N 2.93Å; K15-A18 PolarHBondContact O-N 3.26Å; K15-I19 VanDerWaalsContact O-CG1 3.27Å; K15-I19 WeakPolarHBondContact O-CG1 3.36Å; K15-I19 PolarHBondContact O-N 3.5Å
16S88.6Confident82.8Confident56 Ų56102.9 Ų102.939%0.39251%0.512SS..Hα-helixtrans-60.9-45.8178.7-162.40000111.5Q12 Q13 A18 I19 E20Q12-S16 PolarHBondContact O-N 3.42Å; Q13-S16 PolarHBondContact O-N 3.03Å; S16-A18 VanDerWaalsContact C-N 3.33Å; S16-A18 PolarHBondContact O-N 2.93Å; S16-I19 PolarHBondContact O-N 3.38Å; S16-E20 WeakPolarHBondContact O-CG 3.42Å; S16-E20 PolarHBondContact O-N 3.48Å
17R89.1Confident83.8Confident159 Ų159101.3 Ų101.360%0.650%0.504SS*.Hα-helixtrans-62.9-38.3175.9-72.5175.2178.2-180-0.8112.4Q13 K15 K21Q13-R17 WeakPolarHBondContact O-CB 3.49Å; Q13-R17 WeakPolarHBondContact O-CG 3.37Å; Q13-R17 PolarHBondContact O-N 3.48Å; K15-R17 PolarHBondContact O-N 2.93Å; R17-K21 VanDerWaalsContact O-CB 3.28Å; R17-K21 WeakPolarHBondContact O-CB 3.44Å; R17-K21 PolarHBondContact O-N 2.94Å
18A90.1Very high84.2Confident59 Ų5998.1 Ų98.149%0.48849%0.489SS..Hα-helixtrans-65.4-41.1175.100000111.8D14 K15 S16 K21 Q22D14-A18 WeakPolarHBondContact O-CB 3.27Å; D14-A18 PolarHBondContact O-N 2.92Å; K15-A18 PolarHBondContact O-N 3.26Å; S16-A18 VanDerWaalsContact C-N 3.33Å; S16-A18 PolarHBondContact O-N 2.93Å; A18-K21 PolarHBondContact O-N 2.88Å; A18-Q22 WeakPolarHBondContact O-CB 3.28Å; A18-Q22 PolarHBondContact O-N 2.98Å
19I88.6Confident84.6Confident103 Ų10399.9 Ų99.953%0.52849%0.487SS..Hα-helixtrans-65-48.4176-67.8163.7000110.8K15 S16 K21 Q22 I23K15-I19 VanDerWaalsContact O-CG1 3.27Å; K15-I19 WeakPolarHBondContact O-CG1 3.36Å; K15-I19 PolarHBondContact O-N 3.5Å; S16-I19 PolarHBondContact O-N 3.38Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 2.96Å; I19-Q22 PolarHBondContact O-N 2.99Å; I19-Q22 VanDerWaalsContact O-N 3.13Å; I19-I23 HydrophobicContact CG2-CD1 3.69Å; I19-I23 HydrophobicContact CG2-CG1 4.28Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.49Å; I19-I23 PolarHBondContact O-N 3.42Å
20E88.2Confident84.7Confident117 Ų117102.2 Ų102.255%0.54750%0.502SS..Hα-helixtrans-59.2-41.9177.2-75.2169.5-158.400112S16 I23 R24S16-E20 WeakPolarHBondContact O-CG 3.42Å; S16-E20 PolarHBondContact O-N 3.48Å; E20-I23 PolarHBondContact O-N 3.22Å; E20-R24 WeakPolarHBondContact O-CB 3.3Å; E20-R24 PolarHBondContact O-N 3.04Å
21K89.4Confident84.6Confident134 Ų134100.8 Ų100.858%0.58350%0.498SS*.Hα-helixtrans-62.7-43.3174.9-174.6-179178.1-174.90111.4R17 A18 I19 R24 Q25R17-K21 VanDerWaalsContact O-CB 3.28Å; R17-K21 WeakPolarHBondContact O-CB 3.44Å; R17-K21 PolarHBondContact O-N 2.94Å; A18-K21 PolarHBondContact O-N 2.88Å; I19-K21 VanDerWaalsContact C-N 3.3Å; I19-K21 PolarHBondContact O-N 2.96Å; K21-R24 PolarHBondContact O-N 3.32Å; K21-Q25 VanDerWaalsContact O-CG 3.29Å; K21-Q25 WeakPolarHBondContact O-CG 3.43Å; K21-Q25 PolarHBondContact O-N 2.86Å
22Q87.6Confident84.8Confident92 Ų92102.1 Ų102.143%0.4350%0.498SS..Hα-helixtrans-65-45.9178.2-172.262.740.500111.4A18 I19 R24 Q25 D26A18-Q22 WeakPolarHBondContact O-CB 3.28Å; A18-Q22 PolarHBondContact O-N 2.98Å; I19-Q22 PolarHBondContact O-N 2.99Å; I19-Q22 VanDerWaalsContact O-N 3.13Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 3.48Å; Q22-Q25 PolarHBondContact O-N 2.84Å; Q22-Q25 VanDerWaalsContact O-N 3.11Å; Q22-D26 PolarHBondContact NE2-OD1 3.11Å; Q22-D26 PolarHBondContact NE2-OD2 3.43Å; Q22-D26 WeakPolarHBondContact O-CB 3.29Å; Q22-D26 VanDerWaalsContact O-CG 3.24Å; Q22-D26 PolarHBondContact O-N 2.92Å
23I85.5Confident85.2Confident107 Ų10798.2 Ų98.255%0.54948%0.48SS..Hα-helixtrans-56.5-44.4176.6-70.3167.9000110.6I19 E20 D26 A27I19-I23 HydrophobicContact CG2-CD1 3.69Å; I19-I23 HydrophobicContact CG2-CG1 4.28Å; I19-I23 VanDerWaalsContact O-CG1 3.3Å; I19-I23 WeakPolarHBondContact O-CG1 3.49Å; I19-I23 PolarHBondContact O-N 3.42Å; E20-I23 PolarHBondContact O-N 3.22Å; I23-D26 PolarHBondContact O-N 3.37Å; I23-A27 WeakPolarHBondContact O-CB 3.49Å; I23-A27 PolarHBondContact O-N 2.8Å
24R83.1Confident85.6Confident172 Ų17294.8 Ų94.865%0.64946%0.464SS*.Hα-helixtrans-65.2-42.6177.4-177.1178.6169.8166.83.8112.2E20 K21 Q22 D26 A27 E28E20-R24 WeakPolarHBondContact O-CB 3.3Å; E20-R24 PolarHBondContact O-N 3.04Å; K21-R24 PolarHBondContact O-N 3.32Å; Q22-R24 VanDerWaalsContact C-N 3.28Å; Q22-R24 PolarHBondContact O-N 3.48Å; R24-D26 VanDerWaalsContact C-N 3.34Å; R24-A27 PolarHBondContact O-N 3.45Å; R24-E28 IonicContact CZ-OE1 3.71Å; R24-E28 IonicContact NE-OE1 2.96Å; R24-E28 PolarHBondContact NE-OE1 3.47Å; R24-E28 IonicContact NH2-OE1 3.56Å; R24-E28 WeakPolarHBondContact O-CB 3.35Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 3.38Å
25Q84.9Confident86Confident90 Ų9092.6 Ų92.642%0.42145%0.451SS..Hα-helixtrans-64.8-39.6177-74.3178.1-23.600112K21 Q22 E28 K29K21-Q25 VanDerWaalsContact O-CG 3.29Å; K21-Q25 WeakPolarHBondContact O-CG 3.43Å; K21-Q25 PolarHBondContact O-N 2.86Å; Q22-Q25 PolarHBondContact O-N 2.84Å; Q22-Q25 VanDerWaalsContact O-N 3.11Å; Q25-E28 PolarHBondContact O-N 3.13Å; Q25-K29 WeakPolarHBondContact O-CB 3.39Å; Q25-K29 PolarHBondContact O-N 2.91Å
26D83.6Confident86.3Confident81 Ų8186.3 Ų86.343%0.43342%0.424SS..Hα-helixtrans-67.1-39.8176.7-68.5-19.8000110.9Q22 I23 R24 K29 S30Q22-D26 PolarHBondContact NE2-OD1 3.11Å; Q22-D26 PolarHBondContact NE2-OD2 3.43Å; Q22-D26 WeakPolarHBondContact O-CB 3.29Å; Q22-D26 VanDerWaalsContact O-CG 3.24Å; Q22-D26 PolarHBondContact O-N 2.92Å; I23-D26 PolarHBondContact O-N 3.37Å; R24-D26 VanDerWaalsContact C-N 3.34Å; D26-K29 PolarHBondContact O-N 3.26Å; D26-S30 WeakPolarHBondContact O-CB 3.39Å; D26-S30 PolarHBondContact O-N 3.35Å; D26-S30 PolarHBondContact O-OG 3.39Å
27A80Confident86.7Confident45 Ų4583.6 Ų83.637%0.37241%0.405SS..Hα-helixtrans-64.2-45.8173.600000112.2I23 R24 K29 S30 M31I23-A27 WeakPolarHBondContact O-CB 3.49Å; I23-A27 PolarHBondContact O-N 2.8Å; R24-A27 PolarHBondContact O-N 3.45Å; A27-K29 VanDerWaalsContact C-N 3.28Å; A27-K29 PolarHBondContact O-N 3.31Å; A27-S30 WeakPolarHBondContact CA-OG 3.33Å; A27-S30 PolarHBondContact O-N 2.98Å; A27-S30 PolarHBondContact O-OG 2.92Å; A27-M31 WeakPolarHBondContact O-CG 3.21Å; A27-M31 PolarHBondContact O-N 2.81Å
28E79.8Confident87.1Confident93 Ų9376 Ų7644%0.43538%0.376SS..Hα-helixtrans-63.2-35.2176.5-75.1174.7-167.600111.8R24 Q25R24-E28 IonicContact CZ-OE1 3.71Å; R24-E28 IonicContact NE-OE1 2.96Å; R24-E28 PolarHBondContact NE-OE1 3.47Å; R24-E28 IonicContact NH2-OE1 3.56Å; R24-E28 WeakPolarHBondContact O-CB 3.35Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 3.38Å; Q25-E28 PolarHBondContact O-N 3.13Å
29K80.7Confident87.5Confident134 Ų13473.2 Ų73.258%0.58335%0.353SS*.Hα-helixtrans-71.5-44.8174.9-173.2-179.5176.6-174.40111.7Q25 D26 A27 M31 K32 E33Q25-K29 WeakPolarHBondContact O-CB 3.39Å; Q25-K29 PolarHBondContact O-N 2.91Å; D26-K29 PolarHBondContact O-N 3.26Å; A27-K29 VanDerWaalsContact C-N 3.28Å; A27-K29 PolarHBondContact O-N 3.31Å; K29-M31 PolarHBondContact O-N 3.33Å; K29-K32 PolarHBondContact O-N 3.22Å; K29-E33 PolarHBondContact O-N 3.06Å
30S78.6Confident87.9Confident75 Ų7568.3 Ų68.352%0.52433%0.328SS..Hα-helixtrans-64-31.8178.9660000112.1D26 A27 K32 E33D26-S30 WeakPolarHBondContact O-CB 3.39Å; D26-S30 PolarHBondContact O-N 3.35Å; D26-S30 PolarHBondContact O-OG 3.39Å; A27-S30 WeakPolarHBondContact CA-OG 3.33Å; A27-S30 PolarHBondContact O-N 2.98Å; A27-S30 PolarHBondContact O-OG 2.92Å; S30-K32 PolarHBondContact O-N 2.93Å; S30-E33 PolarHBondContact O-N 3.25Å
31M78.6Confident88.4Confident95 Ų9563 Ų6347%0.46830%0.304SS..THydrogen-bonded Turntrans-64-25.1174.1-75173.766.700113.6A27 K29 C351A27-M31 WeakPolarHBondContact O-CG 3.21Å; A27-M31 PolarHBondContact O-N 2.81Å; K29-M31 PolarHBondContact O-N 3.33Å; M31-C351 HydrophobicContact CE-CB 4.47Å
32K86.2Confident88.6Confident98 Ų9857.1 Ų57.143%0.42628%0.281SS..THydrogen-bonded Turntrans-92.9-16.1178.2-66.7-179.7179.8-177.60112.9K29 S30 L194 D195K29-K32 PolarHBondContact O-N 3.22Å; S30-K32 PolarHBondContact O-N 2.93Å; K32-L194 CarbonylContact O-C 3.56Å; K32-L194 WeakPolarHBondContact O-CA 3.44Å; K32-D195 PolarHBondContact O-N 3.12Å
33E90.8Very high88.9Confident65 Ų6555.4 Ų55.430%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-81.3126179.3-170171.1122.200110.4K29 S30 D195 K197K29-E33 PolarHBondContact O-N 3.06Å; S30-E33 PolarHBondContact O-N 3.25Å; E33-D195 WeakPolarHBondContact CA-O 3.49Å; E33-K197 HydrophobicContact CG-CD 4.37Å; E33-K197 HydrophobicContact CG-CG 4.5Å; E33-K197 WeakPolarHBondContact OE1-CE 3.39Å; E33-K197 IonicContact OE1-NZ 2.75Å; E33-K197 PolarHBondContact OE1-NZ 3.28Å; E33-K197 WeakPolarHBondContact OE2-CE 3.21Å; E33-K197 IonicContact OE2-NZ 2.76Å; E33-K197 PolarHBondContact OE2-NZ 3.31Å
34V91.6Very high89.5Confident0 Ų050.4 Ų50.40%025%0.248CC..EExtended strand (participates in β ladder)trans-117.1111.3176.5177.40000109L194 D195 F196 K197 T219 I343V34-L194 HydrophobicContact CG2-CB 4.29Å; V34-L194 HydrophobicContact CG2-CD1 4.11Å; V34-L194 HydrophobicContact CG2-CD2 4.3Å; V34-L194 HydrophobicContact CG2-CG 4.47Å; V34-D195 PolarHBondContact N-O 3.24Å; V34-F196 HydrophobicContact CB-CD1 3.86Å; V34-F196 HydrophobicContact CB-CE1 3.92Å; V34-F196 HydrophobicContact CB-CG 4.32Å; V34-F196 HydrophobicContact CB-CZ 4.41Å; V34-F196 HydrophobicContact CG1-CD1 3.71Å; V34-F196 HydrophobicContact CG1-CE1 3.57Å; V34-F196 HydrophobicContact CG1-CZ 4.39Å; V34-F196 HydrophobicContact CG2-CE1 4.39Å; V34-F196 HydrophobicContact CG2-CZ 4.46Å; V34-F196 WeakPolarHBondContact O-CA 3.31Å; V34-K197 PolarHBondContact O-N 2.89Å; V34-T219 HydrophobicContact CG1-CG2 4.13Å; V34-I343 HydrophobicContact CG1-CD1 4.27Å; V34-I343 HydrophobicContact CG1-CG2 3.89Å; V34-I343 HydrophobicContact CG2-CG2 4.07Å
35K93.8Very high90.1Very high33 Ų3342.7 Ų42.714%0.14322%0.222CC..EExtended strand (participates in β ladder)trans-90.4108.9172.6-177.3172.6-178.7-1790109.9K197 F199 C214 E216 G217 V218 T219 A220K35-K197 WeakPolarHBondContact CA-O 3.49Å; K35-F199 HydrophobicContact CD-CD2 4.37Å; K35-F199 HydrophobicContact CD-CE2 3.98Å; K35-F199 HydrophobicContact CG-CD2 3.92Å; K35-F199 HydrophobicContact CG-CE2 3.76Å; K35-C214 WeakPolarHBondContact CE-O 3.38Å; K35-C214 PolarHBondContact NZ-O 2.97Å; K35-E216 PolarHBondContact NZ-O 3.08Å; K35-G217 WeakPolarHBondContact CB-O 3.28Å; K35-G217 WeakPolarHBondContact CD-O 3.36Å; K35-V218 HydrophobicContact CD-CG2 4.28Å; K35-T219 PolarHBondContact N-OG1 3.44Å; K35-T219 WeakPolarHBondContact O-CB 3.37Å; K35-T219 PolarHBondContact O-N 2.77Å; K35-A220 PolarHBondContact O-N 2.76Å
36L94.7Very high90.6Very high4 Ų438.9 Ų38.92%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-103.2126.6176.8-171.770.9000110.1L38 M53 K197 V198 F199 A220 L222 I343L36-L38 HydrophobicContact CD2-CD2 4.06Å; L36-L38 HydrophobicContact CG-CD2 4.24Å; L36-M53 HydrophobicContact CD2-CE 3.49Å; L36-M53 VanDerWaalsContact CD2-CE 3.49Å; L36-K197 PolarHBondContact N-O 3.1Å; L36-V198 HydrophobicContact CB-CG1 4.42Å; L36-V198 HydrophobicContact CB-CG2 4.13Å; L36-V198 HydrophobicContact CD2-CG1 4.22Å; L36-V198 HydrophobicContact CD2-CG2 4.23Å; L36-V198 WeakPolarHBondContact O-CA 3.3Å; L36-F199 PolarHBondContact O-N 2.75Å; L36-A220 WeakPolarHBondContact CA-O 3.32Å; L36-A220 HydrophobicContact CD1-CB 3.92Å; L36-L222 HydrophobicContact CD1-CB 4.13Å; L36-L222 HydrophobicContact CD2-CB 4.49Å; L36-L222 HydrophobicContact CG-CB 4.38Å; L36-I343 HydrophobicContact CD1-CD1 4.46Å
37L96.9Very high91.2Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-107.5118177.6-176.859.8000110.5L39 F199 V201 C214 F215 V218 A220 I221 L222 F259L37-L39 HydrophobicContact CD1-CD2 4.22Å; L37-L39 HydrophobicContact CD2-CD1 3.98Å; L37-L39 HydrophobicContact CD2-CD2 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.13Å; L37-L39 HydrophobicContact CG-CD1 4.27Å; L37-L39 HydrophobicContact CG-CD2 3.87Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L37-F199 HydrophobicContact CD1-CB 3.76Å; L37-V201 HydrophobicContact CD1-CG1 4.44Å; L37-C214 HydrophobicContact CD1-CB 3.66Å; L37-C214 HydrophobicContact CD2-CB 4.43Å; L37-F215 HydrophobicContact CD2-CD1 3.7Å; L37-F215 HydrophobicContact CD2-CE1 3.82Å; L37-V218 HydrophobicContact CB-CG1 3.85Å; L37-V218 HydrophobicContact CB-CG2 4.18Å; L37-V218 HydrophobicContact CD2-CG2 4.06Å; L37-A220 PolarHBondContact N-O 3.41Å; L37-I221 HydrophobicContact CB-CG1 4.49Å; L37-I221 WeakPolarHBondContact O-CA 3.46Å; L37-L222 PolarHBondContact O-N 3Å; L37-F259 HydrophobicContact CD2-CZ 4.17Å
38L97.4Very high92Very high0 Ų035.6 Ų35.60%018%0.184CC..EExtended strand (participates in β ladder)trans-86.9114.9177-53.2-167.7000110.2L36 K46 L50 M53 V198 F199 D200 V201 L222L36-L38 HydrophobicContact CD2-CD2 4.06Å; L36-L38 HydrophobicContact CG-CD2 4.24Å; L38-K46 HydrophobicContact CB-CB 4.31Å; L38-K46 HydrophobicContact CB-CD 4.12Å; L38-K46 HydrophobicContact CB-CG 4.22Å; L38-K46 HydrophobicContact CD1-CB 4.41Å; L38-K46 WeakPolarHBondContact O-CD 3.3Å; L38-L50 HydrophobicContact CD1-CB 4.23Å; L38-L50 HydrophobicContact CD1-CD1 4.4Å; L38-M53 HydrophobicContact CD2-CE 4.36Å; L38-V198 HydrophobicContact CD1-CG1 3.95Å; L38-V198 HydrophobicContact CD2-CG1 3.94Å; L38-V198 HydrophobicContact CG-CG1 3.71Å; L38-F199 PolarHBondContact N-O 3.09Å; L38-D200 HydrophobicContact CD1-CB 4.22Å; L38-V201 WeakPolarHBondContact O-CG2 3.41Å; L38-L222 WeakPolarHBondContact CA-O 3.38Å; L38-L222 HydrophobicContact CD2-CB 3.61Å; L38-L222 HydrophobicContact CD2-CD2 3.63Å; L38-L222 HydrophobicContact CD2-CG 3.99Å
39L97.9Very high92.7Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-122.8158179.7-61.4-178.9000111.6L37 V201 W211 F215 I221 L222 F223 I224 I253L37-L39 HydrophobicContact CD1-CD2 4.22Å; L37-L39 HydrophobicContact CD2-CD1 3.98Å; L37-L39 HydrophobicContact CD2-CD2 4.07Å; L37-L39 HydrophobicContact CD2-CG 4.13Å; L37-L39 HydrophobicContact CG-CD1 4.27Å; L37-L39 HydrophobicContact CG-CD2 3.87Å; L37-L39 HydrophobicContact CG-CG 3.88Å; L39-V201 HydrophobicContact CD2-CG2 3.68Å; L39-W211 HydrophobicContact CB-CH2 4.46Å; L39-W211 HydrophobicContact CB-CZ3 4.36Å; L39-W211 HydrophobicContact CD2-CD2 3.81Å; L39-W211 HydrophobicContact CD2-CE3 3.7Å; L39-W211 HydrophobicContact CD2-CG 4.31Å; L39-W211 HydrophobicContact CD2-CH2 4.28Å; L39-W211 HydrophobicContact CD2-CZ2 4.41Å; L39-W211 HydrophobicContact CD2-CZ3 3.93Å; L39-F215 HydrophobicContact CD1-CE1 4.45Å; L39-I221 HydrophobicContact CB-CG2 4.35Å; L39-I221 HydrophobicContact CD1-CG2 3.99Å; L39-I221 HydrophobicContact CG-CG2 4.26Å; L39-L222 PolarHBondContact N-O 2.82Å; L39-F223 HydrophobicContact CB-CD2 3.8Å; L39-F223 HydrophobicContact CB-CE2 4.25Å; L39-F223 CarbonylContact O-C 3.41Å; L39-F223 WeakPolarHBondContact O-CA 3.38Å; L39-I224 PolarHBondContact O-N 3.25Å; L39-I253 HydrophobicContact CD1-CD1 3.75Å; L39-I253 HydrophobicContact CD1-CG1 3.99Å; L39-I253 HydrophobicContact CD1-CG2 3.83Å
40G97.8Very high93.3Very high0 Ų025.6 Ų25.60%014%0.139CC..  trans146164.9-179.200000111.8K46 G203G40-K46 PolarHBondContact O-NZ 3.21Å; G40-G203 WeakPolarHBondContact O-CA 3.4Å
41A96.7Very high94Very high6 Ų623.1 Ų23.15%0.0512%0.119CC..SBendtrans-60.3170179.900000112.5C44 K46 L249A41-C44 PolarHBondContact O-SG 3.42Å; A41-K46 PolarHBondContact O-NZ 3.48Å; A41-L249 HydrophobicContact CB-CD2 4.47Å
42G94.3Very high94.7Very high10 Ų1018.6 Ų18.610%0.10310%0.097CC..THydrogen-bonded Turntrans-54.7144170.100000110.3C44 G203G42-C44 PolarHBondContact O-N 3.14Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 3.39Å
43E94.1Very high94.9Very high56 Ų5614 Ų1426%0.2628%0.077SC..THydrogen-bonded Turntrans69.20.9170.2-43.5-167.4142.300116.6G45 R178 R242 K270E43-G45 PolarHBondContact O-N 3.33Å; E43-R178 IonicContact OE1-CZ 2.73Å; E43-R178 IonicContact OE1-NE 3.82Å; E43-R178 PolarHBondContact OE1-NE 3.41Å; E43-R178 IonicContact OE1-NH2 3.54Å; E43-R178 PolarHBondContact OE1-NH2 3.08Å; E43-R242 IonicContact OE2-CZ 3.84Å; E43-R242 IonicContact OE2-NH1 3.31Å; E43-R242 PolarHBondContact OE2-NH1 2.85Å; E43-R242 IonicContact OE2-NH2 3.77Å; E43-R242 PolarHBondContact OE2-NH2 3.12Å; E43-K270 WeakPolarHBondContact O-CE 3.44Å; E43-K270 PolarHBondContact O-NZ 2.91Å
44C97.2Very high94.9Very high2 Ų213.8 Ų13.81%0.0148%0.075CC..SBendtrans-68.3-15.6-179.367.70000115.3A41 G42 I224 A226 N269A41-C44 PolarHBondContact O-SG 3.42Å; G42-C44 PolarHBondContact O-N 3.14Å; C44-I224 HydrophobicContact CB-CG2 4.27Å; C44-I224 WeakPolarHBondContact CB-O 3.34Å; C44-I224 WeakPolarHBondContact O-CG2 2.99Å; C44-I224 PolarHBondContact SG-O 2.62Å; C44-A226 HydrophobicContact CB-CB 4.14Å; C44-N269 PolarHBondContact O-ND2 2.97Å
45G96.3Very high94.8Very high10 Ų1015 Ų1510%0.1038%0.081CC..SBendtrans11511.8175.300000116.8E43 S47 T48 V49E43-G45 PolarHBondContact O-N 3.33Å; G45-S47 PolarHBondContact O-N 3.45Å; G45-T48 WeakPolarHBondContact O-CB 3.4Å; G45-T48 PolarHBondContact O-N 3.25Å; G45-T48 VanDerWaalsContact O-N 3.14Å; G45-V49 WeakPolarHBondContact O-CG2 3.41Å; G45-V49 PolarHBondContact O-N 3.11Å
46K96.4Very high94.6Very high9 Ų914.7 Ų14.74%0.0398%0.081CC..Hα-helixtrans-51.1-57.1178.1-64.7-177.7-65.1-65.60114.2L38 G40 A41 T48 V49 L50 D200 V201 I224L38-K46 HydrophobicContact CB-CB 4.31Å; L38-K46 HydrophobicContact CB-CD 4.12Å; L38-K46 HydrophobicContact CB-CG 4.22Å; L38-K46 HydrophobicContact CD1-CB 4.41Å; L38-K46 WeakPolarHBondContact O-CD 3.3Å; G40-K46 PolarHBondContact O-NZ 3.21Å; A41-K46 PolarHBondContact O-NZ 3.48Å; K46-T48 PolarHBondContact O-N 3.04Å; K46-V49 WeakPolarHBondContact O-CB 3.42Å; K46-V49 PolarHBondContact O-N 2.86Å; K46-V49 VanDerWaalsContact O-N 3.08Å; K46-L50 PolarHBondContact O-N 2.85Å; K46-D200 WeakPolarHBondContact CB-OD1 3.4Å; K46-V201 WeakPolarHBondContact CE-O 3.41Å; K46-I224 HydrophobicContact CB-CD1 4.19Å; K46-I224 HydrophobicContact CG-CB 4.42Å; K46-I224 HydrophobicContact CG-CD1 3.82Å; K46-I224 HydrophobicContact CG-CG1 4.36Å
47S96Very high94.2Very high31 Ų3115.8 Ų15.822%0.2179%0.086CC..Hα-helixtrans-64.7-29-179.5-44.50000112.1G45 L50 K51 T181 D200G45-S47 PolarHBondContact O-N 3.45Å; S47-L50 PolarHBondContact O-N 3.21Å; S47-K51 WeakPolarHBondContact O-CG 3.1Å; S47-K51 PolarHBondContact O-N 2.85Å; S47-T181 PolarHBondContact OG-OG1 2.84Å; S47-D200 WeakPolarHBondContact CA-OD2 3.41Å; S47-D200 WeakPolarHBondContact CB-OD2 3.26Å; S47-D200 PolarHBondContact OG-OD2 3.22Å
48T96.2Very high93.5Very high27 Ų2717.6 Ų17.617%0.16611%0.105CC..Hα-helixtrans-67.6-42.3173.2-52.30000111.4G45 K46 L50 K51 Q52 L175 A326 T327G45-T48 WeakPolarHBondContact O-CB 3.4Å; G45-T48 PolarHBondContact O-N 3.25Å; G45-T48 VanDerWaalsContact O-N 3.14Å; K46-T48 PolarHBondContact O-N 3.04Å; T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 2.68Å; T48-K51 WeakPolarHBondContact O-CB 3.49Å; T48-K51 PolarHBondContact O-N 2.85Å; T48-Q52 PolarHBondContact O-N 2.99Å; T48-L175 HydrophobicContact CG2-CB 4.29Å; T48-L175 HydrophobicContact CG2-CD2 3.99Å; T48-L175 PolarHBondContact OG1-O 2.88Å; T48-A326 HydrophobicContact CG2-CB 3.6Å; T48-T327 HydrophobicContact CG2-CG2 4.14Å
49V95.1Very high92.9Very high0 Ų024.8 Ų24.80%014%0.138CC..Hα-helixtrans-62-40.5173.7170.20000111.2G45 K46 Q52 M53 L222 I224 F267 A326 F336G45-V49 WeakPolarHBondContact O-CG2 3.41Å; G45-V49 PolarHBondContact O-N 3.11Å; K46-V49 WeakPolarHBondContact O-CB 3.42Å; K46-V49 PolarHBondContact O-N 2.86Å; K46-V49 VanDerWaalsContact O-N 3.08Å; V49-Q52 WeakPolarHBondContact O-CB 3.48Å; V49-Q52 PolarHBondContact O-N 3.11Å; V49-M53 HydrophobicContact CG1-CE 4.23Å; V49-M53 WeakPolarHBondContact O-CG 3.44Å; V49-M53 PolarHBondContact O-N 3.5Å; V49-L222 HydrophobicContact CG1-CD2 3.9Å; V49-I224 HydrophobicContact CB-CD1 4.06Å; V49-I224 HydrophobicContact CG1-CD1 4.43Å; V49-I224 HydrophobicContact CG2-CD1 3.83Å; V49-F267 HydrophobicContact CG1-CE2 4.23Å; V49-F267 HydrophobicContact CG2-CD2 4.3Å; V49-F267 HydrophobicContact CG2-CE2 4.42Å; V49-A326 HydrophobicContact CG2-CB 3.77Å; V49-F336 HydrophobicContact CG1-CE2 4.07Å; V49-F336 HydrophobicContact CG1-CZ 3.48Å; V49-F336 VanDerWaalsContact CG1-CZ 3.48Å
50L93.2Very high92.4Very high17 Ų1725.1 Ų25.19%0.08914%0.141CC..Hα-helixtrans-62.5-44.5173.9-168.667.1000112.2L38 K46 S47 T48 Q52 M53 K54 T187 V198 D200L38-L50 HydrophobicContact CD1-CB 4.23Å; L38-L50 HydrophobicContact CD1-CD1 4.4Å; K46-L50 PolarHBondContact O-N 2.85Å; S47-L50 PolarHBondContact O-N 3.21Å; T48-L50 VanDerWaalsContact C-N 3.31Å; T48-L50 PolarHBondContact O-N 2.68Å; L50-Q52 VanDerWaalsContact C-N 3.25Å; L50-Q52 PolarHBondContact O-N 2.86Å; L50-M53 HydrophobicContact CD1-SD 4.04Å; L50-M53 WeakPolarHBondContact O-CB 3.02Å; L50-M53 PolarHBondContact O-N 2.96Å; L50-K54 PolarHBondContact O-N 3.3Å; L50-T187 HydrophobicContact CD1-CG2 4.28Å; L50-V198 HydrophobicContact CD1-CB 3.91Å; L50-V198 HydrophobicContact CD1-CG1 3.62Å; L50-D200 HydrophobicContact CD2-CB 3.86Å
51K93.9Very high92.2Very high23 Ų2326.2 Ų26.210%0.115%0.146CC..Hα-helixtrans-59.2-38.8174.6-69.7169.9176.3-178.50111.2S47 T48 K54 I55 Y61 V174 L175 S177S47-K51 WeakPolarHBondContact O-CG 3.1Å; S47-K51 PolarHBondContact O-N 2.85Å; T48-K51 WeakPolarHBondContact O-CB 3.49Å; T48-K51 PolarHBondContact O-N 2.85Å; K51-K54 WeakPolarHBondContact O-CB 3.28Å; K51-K54 PolarHBondContact O-N 3.36Å; K51-I55 WeakPolarHBondContact O-CG1 3.46Å; K51-I55 PolarHBondContact O-N 3.42Å; K51-Y61 WeakPolarHBondContact CA-OH 3.44Å; K51-Y61 HydrophobicContact CB-CE2 4.32Å; K51-Y61 WeakPolarHBondContact CB-OH 3.46Å; K51-Y61 VanDerWaalsContact CG-OH 3.24Å; K51-Y61 WeakPolarHBondContact CG-OH 3.43Å; K51-V174 HydrophobicContact CD-CG1 4.37Å; K51-V174 PolarHBondContact NZ-O 2.84Å; K51-L175 HydrophobicContact CB-CD2 3.72Å; K51-S177 PolarHBondContact NZ-O 3.4Å; K51-S177 VanDerWaalsContact NZ-O 3.17Å; K51-S177 PolarHBondContact NZ-OG 3.42Å
52Q93.4Very high92Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-67-38.4175.5-76.1-69.33500113.7T48 V49 L50 K54 I55 I56 L175 A326 N329 I332T48-Q52 PolarHBondContact O-N 2.99Å; V49-Q52 WeakPolarHBondContact O-CB 3.48Å; V49-Q52 PolarHBondContact O-N 3.11Å; L50-Q52 VanDerWaalsContact C-N 3.25Å; L50-Q52 PolarHBondContact O-N 2.86Å; Q52-K54 PolarHBondContact O-N 3.3Å; Q52-I55 PolarHBondContact O-N 2.9Å; Q52-I56 HydrophobicContact CB-CD1 4.24Å; Q52-I56 WeakPolarHBondContact O-CB 3.49Å; Q52-I56 WeakPolarHBondContact O-CG1 3.41Å; Q52-I56 PolarHBondContact O-N 2.98Å; Q52-L175 HydrophobicContact CG-CD1 4.49Å; Q52-L175 HydrophobicContact CG-CD2 3.73Å; Q52-A326 WeakPolarHBondContact CG-O 3.1Å; Q52-A326 PolarHBondContact NE2-O 2.86Å; Q52-N329 PolarHBondContact NE2-OD1 2.98Å; Q52-N329 PolarHBondContact OE1-OD1 3.36Å; Q52-N329 VanDerWaalsContact OE1-OD1 3.1Å; Q52-I332 HydrophobicContact CB-CG2 3.76Å; Q52-I332 HydrophobicContact CG-CB 4.46Å; Q52-I332 HydrophobicContact CG-CG1 4.37Å; Q52-I332 HydrophobicContact CG-CG2 4.17Å
53M89.9Confident92.1Very high2 Ų238 Ų381%0.0119%0.191CC..Hα-helixtrans-57.9-40.7174-67.3171176.100110.7L36 L38 V49 L50 I55 I56 H57 G58 F189 V198 L222 F336L36-M53 HydrophobicContact CD2-CE 3.49Å; L36-M53 VanDerWaalsContact CD2-CE 3.49Å; L38-M53 HydrophobicContact CD2-CE 4.36Å; V49-M53 HydrophobicContact CG1-CE 4.23Å; V49-M53 WeakPolarHBondContact O-CG 3.44Å; V49-M53 PolarHBondContact O-N 3.5Å; L50-M53 HydrophobicContact CD1-SD 4.04Å; L50-M53 WeakPolarHBondContact O-CB 3.02Å; L50-M53 PolarHBondContact O-N 2.96Å; M53-I55 VanDerWaalsContact C-N 3.32Å; M53-I55 PolarHBondContact O-N 3.21Å; M53-I56 PolarHBondContact O-N 3.46Å; M53-H57 WeakPolarHBondContact O-CA 3.45Å; M53-H57 WeakPolarHBondContact O-CB 3.22Å; M53-H57 PolarHBondContact O-N 3.32Å; M53-G58 PolarHBondContact O-N 3.09Å; M53-F189 HydrophobicContact CB-CE1 3.97Å; M53-F189 HydrophobicContact CB-CZ 4.21Å; M53-F189 HydrophobicContact CG-CE1 4.31Å; M53-F189 HydrophobicContact CG-CZ 4.29Å; M53-F189 HydrophobicContact SD-CE1 3.7Å; M53-F189 HydrophobicContact SD-CZ 3.96Å; M53-V198 HydrophobicContact CE-CG1 4.16Å; M53-V198 HydrophobicContact CE-CG2 4.38Å; M53-V198 HydrophobicContact SD-CB 4.44Å; M53-V198 HydrophobicContact SD-CG1 4.08Å; M53-V198 HydrophobicContact SD-CG2 3.94Å; M53-L222 HydrophobicContact CE-CD2 4.42Å; M53-F336 HydrophobicContact CE-CD1 4.41Å; M53-F336 HydrophobicContact CE-CE1 3.28Å; M53-F336 HydrophobicContact CE-CE2 4.29Å; M53-F336 HydrophobicContact CE-CZ 3.2Å; M53-F336 HydrophobicContact CG-CD2 4.46Å; M53-F336 HydrophobicContact CG-CE1 4.17Å; M53-F336 HydrophobicContact CG-CE2 3.64Å; M53-F336 HydrophobicContact CG-CZ 3.5Å; M53-F336 HydrophobicContact SD-CZ 4.15Å
54K89.3Confident92.1Very high60 Ų6040.9 Ų40.926%0.26120%0.204SC..Hα-helixtrans-62.8-36.2175-171.5177177.8-169.30112.7L50 K51 Q52 G58 G60 Y61 E65L50-K54 PolarHBondContact O-N 3.3Å; K51-K54 WeakPolarHBondContact O-CB 3.28Å; K51-K54 PolarHBondContact O-N 3.36Å; Q52-K54 PolarHBondContact O-N 3.3Å; K54-G58 CarbonylContact O-C 3.58Å; K54-G58 WeakPolarHBondContact O-CA 3.44Å; K54-G58 PolarHBondContact O-N 2.91Å; K54-G58 VanDerWaalsContact O-N 3.11Å; K54-G60 WeakPolarHBondContact CE-O 3.45Å; K54-G60 WeakPolarHBondContact O-CA 3.34Å; K54-G60 PolarHBondContact O-N 3.15Å; K54-Y61 HydrophobicContact CB-CE2 4.49Å; K54-Y61 HydrophobicContact CD-CD1 4.43Å; K54-Y61 HydrophobicContact CD-CE1 3.85Å; K54-Y61 HydrophobicContact CD-CE2 4.23Å; K54-E65 IonicContact NZ-OE1 3.89Å; K54-E65 PolarHBondContact NZ-OE1 3.41Å; K54-E65 IonicContact NZ-OE2 3.78Å
55I91.2Very high92Very high26 Ų2643.6 Ų43.613%0.13322%0.216CC..Hα-helixtrans-72.5-46.3177.4-66.6165.6000112K51 Q52 M53 Y61 E171 L175K51-I55 WeakPolarHBondContact O-CG1 3.46Å; K51-I55 PolarHBondContact O-N 3.42Å; Q52-I55 PolarHBondContact O-N 2.9Å; M53-I55 VanDerWaalsContact C-N 3.32Å; M53-I55 PolarHBondContact O-N 3.21Å; I55-Y61 HydrophobicContact CD1-CD2 4.12Å; I55-Y61 HydrophobicContact CD1-CE2 4Å; I55-Y61 HydrophobicContact CG1-CD2 3.8Å; I55-Y61 HydrophobicContact CG1-CE2 3.79Å; I55-E171 HydrophobicContact CD1-CB 4.16Å; I55-E171 HydrophobicContact CD1-CG 4.41Å; I55-L175 HydrophobicContact CD1-CD1 4.07Å; I55-L175 HydrophobicContact CD1-CD2 3.98Å; I55-L175 HydrophobicContact CD1-CG 4.04Å
56I89.7Confident92Very high26 Ų2645.2 Ų45.213%0.13322%0.219CC..Hα-helixtrans-83.6-36.8-170.5-63.5162.4000112Q52 M53 I332 R333Q52-I56 HydrophobicContact CB-CD1 4.24Å; Q52-I56 WeakPolarHBondContact O-CB 3.49Å; Q52-I56 WeakPolarHBondContact O-CG1 3.41Å; Q52-I56 PolarHBondContact O-N 2.98Å; M53-I56 PolarHBondContact O-N 3.46Å; I56-I332 HydrophobicContact CD1-CB 4.07Å; I56-I332 HydrophobicContact CD1-CG2 3.69Å; I56-R333 HydrophobicContact CD1-CB 4.12Å; I56-R333 HydrophobicContact CG2-CB 4.05Å; I56-R333 HydrophobicContact CG2-CG 3.86Å
57H84.8Confident91.9Very high27 Ų2748.9 Ų48.913%0.12524%0.235CC..Hα-helixtrans-119.5-11.6-172.1-56-60.6000113.7M53 F189 F191M53-H57 WeakPolarHBondContact O-CA 3.45Å; M53-H57 WeakPolarHBondContact O-CB 3.22Å; M53-H57 PolarHBondContact O-N 3.32Å; H57-F189 HydrophobicContact CB-CD2 4.12Å; H57-F189 HydrophobicContact CB-CE2 4.22Å; H57-F191 HydrophobicContact CB-CD2 4.1Å; H57-F191 AromaticContact CE1-CD2 3.8Å; H57-F191 AromaticContact CE1-CE2 3.41Å; H57-F191 VanDerWaalsContact CE1-CE2 3.41Å; H57-F191 WeakPolarHBondContact CE1-CE2 3.42Å; H57-F191 AromaticContact CE1-CZ 3.55Å; H57-F191 AromaticContact CG-CD2 3.79Å; H57-F191 AromaticContact ND1-CD2 3.1Å; H57-F191 WeakPolarHBondContact ND1-CD2 3.47Å; H57-F191 AromaticContact ND1-CE2 3.02Å; H57-F191 WeakPolarHBondContact ND1-CE2 3.43Å; H57-F191 AromaticContact ND1-CG 3.84Å; H57-F191 AromaticContact ND1-CZ 3.68Å
58G81.7Confident91.8Very high38 Ų3854.1 Ų54.139%0.39226%0.256SS..SBendtrans-104.2-159.517400000112.6M53 K54 G60M53-G58 PolarHBondContact O-N 3.09Å; K54-G58 CarbonylContact O-C 3.58Å; K54-G58 WeakPolarHBondContact O-CA 3.44Å; K54-G58 PolarHBondContact O-N 2.91Å; K54-G58 VanDerWaalsContact O-N 3.11Å; G58-G60 PolarHBondContact O-N 3.09Å
59E85.6Confident91.8Very high150 Ų15054.8 Ų54.870%0.70126%0.256SS*.  trans-82.75.7178-59.9-176.3176.100113.6R62E59-R62 IonicContact OE2-CZ 3.51Å; E59-R62 IonicContact OE2-NE 3.55Å; E59-R62 IonicContact OE2-NH2 2.68Å; E59-R62 PolarHBondContact OE2-NH2 3.01Å
60G88.5Confident91.8Very high7 Ų757.1 Ų57.17%0.07227%0.266CS..  trans66-157.1-169.800000113K54 G58K54-G60 WeakPolarHBondContact CE-O 3.45Å; K54-G60 WeakPolarHBondContact O-CA 3.34Å; K54-G60 PolarHBondContact O-N 3.15Å; G58-G60 PolarHBondContact O-N 3.09Å
61Y92Very high91.9Very high24 Ų2458 Ų589%0.09427%0.273CS..  trans-109.1116.3175.8-67.7-88.7000110.2K51 K54 I55 E65 R66 Y69 V174K51-Y61 WeakPolarHBondContact CA-OH 3.44Å; K51-Y61 HydrophobicContact CB-CE2 4.32Å; K51-Y61 WeakPolarHBondContact CB-OH 3.46Å; K51-Y61 VanDerWaalsContact CG-OH 3.24Å; K51-Y61 WeakPolarHBondContact CG-OH 3.43Å; K54-Y61 HydrophobicContact CB-CE2 4.49Å; K54-Y61 HydrophobicContact CD-CD1 4.43Å; K54-Y61 HydrophobicContact CD-CE1 3.85Å; K54-Y61 HydrophobicContact CD-CE2 4.23Å; I55-Y61 HydrophobicContact CD1-CD2 4.12Å; I55-Y61 HydrophobicContact CD1-CE2 4Å; I55-Y61 HydrophobicContact CG1-CD2 3.8Å; I55-Y61 HydrophobicContact CG1-CE2 3.79Å; Y61-E65 HydrophobicContact CD1-CB 4.3Å; Y61-R66 PolarHBondContact O-NE 2.87Å; Y61-Y69 HydrophobicContact CD1-CE2 4.35Å; Y61-Y69 HydrophobicContact CE1-CE2 4.24Å; Y61-V174 HydrophobicContact CD1-CG1 4.26Å; Y61-V174 HydrophobicContact CD2-CG1 4.11Å; Y61-V174 HydrophobicContact CE1-CG1 4.09Å; Y61-V174 HydrophobicContact CE2-CG1 3.94Å; Y61-V174 HydrophobicContact CG-CG1 4.27Å
62R93.9Very high92Very high155 Ų15559.2 Ų59.259%0.58528%0.28SS*.  trans-65.8159.6173.7-59-178.2-172.5-179.72.3110E59 E64 E65 R66E59-R62 IonicContact OE2-CZ 3.51Å; E59-R62 IonicContact OE2-NE 3.55Å; E59-R62 IonicContact OE2-NH2 2.68Å; E59-R62 PolarHBondContact OE2-NH2 3.01Å; R62-E64 VanDerWaalsContact C-N 3.26Å; R62-E64 PolarHBondContact O-N 2.92Å; R62-E65 HydrophobicContact CB-CG 4.44Å; R62-E65 PolarHBondContact N-OE2 2.61Å; R62-E65 PolarHBondContact O-N 3.25Å; R62-E65 VanDerWaalsContact O-N 3.1Å; R62-R66 WeakPolarHBondContact O-CG 3.37Å; R62-R66 PolarHBondContact O-N 2.74Å
63E94.8Very high92.2Very high109 Ų10959.2 Ų59.251%0.50928%0.28SS..Hα-helixtrans-55.5-41.8-178.1-56.6-159.7148.200112.8E65 R66 K67 L168E63-E65 PolarHBondContact O-N 3.25Å; E63-R66 PolarHBondContact O-N 2.97Å; E63-R66 VanDerWaalsContact O-N 3.17Å; E63-R66 IonicContact OE1-NH2 3.87Å; E63-K67 WeakPolarHBondContact O-CG 3.43Å; E63-K67 PolarHBondContact O-N 3.1Å; E63-L168 HydrophobicContact CB-CD2 4.31Å; E63-L168 HydrophobicContact CG-CD2 4.18Å
64E94.7Very high92.5Very high116 Ų11659.4 Ų59.454%0.54228%0.281SS..Hα-helixtrans-62.2-42.8177.5-57.7-49.9138.100112.2R62 R66 K67 E68R62-E64 VanDerWaalsContact C-N 3.26Å; R62-E64 PolarHBondContact O-N 2.92Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.03Å; E64-K67 VanDerWaalsContact CD-NZ 3.26Å; E64-K67 WeakPolarHBondContact O-CB 3.49Å; E64-K67 PolarHBondContact O-N 3.38Å; E64-K67 IonicContact OE1-NZ 2.74Å; E64-K67 PolarHBondContact OE1-NZ 2.98Å; E64-K67 WeakPolarHBondContact OE2-CD 3.44Å; E64-K67 IonicContact OE2-NZ 3.01Å; E64-K67 PolarHBondContact OE2-NZ 2.92Å; E64-E68 PolarHBondContact O-N 3.22Å
65E94.8Very high92.8Very high58 Ų5857.1 Ų57.127%0.27127%0.273SS..Hα-helixtrans-65.1-35.8175.2-60.4178.5101.600111.6K54 Y61 R62 E63 E68 Y69K54-E65 IonicContact NZ-OE1 3.89Å; K54-E65 PolarHBondContact NZ-OE1 3.41Å; K54-E65 IonicContact NZ-OE2 3.78Å; Y61-E65 HydrophobicContact CD1-CB 4.3Å; R62-E65 HydrophobicContact CB-CG 4.44Å; R62-E65 PolarHBondContact N-OE2 2.61Å; R62-E65 PolarHBondContact O-N 3.25Å; R62-E65 VanDerWaalsContact O-N 3.1Å; E63-E65 PolarHBondContact O-N 3.25Å; E65-E68 WeakPolarHBondContact O-CB 3.38Å; E65-E68 PolarHBondContact O-N 3.43Å; E65-Y69 VanDerWaalsContact O-CD2 3.28Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å
66R96.2Very high93.1Very high45 Ų4556.3 Ų56.317%0.1727%0.269CS..Hα-helixtrans-67.8-35.4176.3-66.5-170.6-69.5137.6-9.7111.4Y61 R62 E63 E64 E68 Y69 L168 P169 V174Y61-R66 PolarHBondContact O-NE 2.87Å; R62-R66 WeakPolarHBondContact O-CG 3.37Å; R62-R66 PolarHBondContact O-N 2.74Å; E63-R66 PolarHBondContact O-N 2.97Å; E63-R66 VanDerWaalsContact O-N 3.17Å; E63-R66 IonicContact OE1-NH2 3.87Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.03Å; R66-E68 VanDerWaalsContact C-N 3.27Å; R66-E68 PolarHBondContact O-N 3.33Å; R66-Y69 WeakPolarHBondContact O-CB 3.19Å; R66-Y69 PolarHBondContact O-N 2.86Å; R66-Y69 VanDerWaalsContact O-N 3.13Å; R66-L168 HydrophobicContact CB-CD1 4.33Å; R66-P169 HydrophobicContact CB-CB 4.4Å; R66-P169 VanDerWaalsContact CD-O 3.27Å; R66-P169 WeakPolarHBondContact CD-O 3.33Å; R66-P169 PolarHBondContact NH1-O 2.85Å; R66-P169 VanDerWaalsContact O-CG 3.25Å; R66-P169 WeakPolarHBondContact O-CG 3.42Å; R66-V174 HydrophobicContact CG-CG2 4.08Å
67K95Very high93.5Very high85 Ų8555 Ų5537%0.3726%0.263SS..Hα-helixtrans-60.8-36175.4-71.2172.7-169.51650112.2E63 E64 Y69 K70 L168E63-K67 WeakPolarHBondContact O-CG 3.43Å; E63-K67 PolarHBondContact O-N 3.1Å; E64-K67 VanDerWaalsContact CD-NZ 3.26Å; E64-K67 WeakPolarHBondContact O-CB 3.49Å; E64-K67 PolarHBondContact O-N 3.38Å; E64-K67 IonicContact OE1-NZ 2.74Å; E64-K67 PolarHBondContact OE1-NZ 2.98Å; E64-K67 WeakPolarHBondContact OE2-CD 3.44Å; E64-K67 IonicContact OE2-NZ 3.01Å; E64-K67 PolarHBondContact OE2-NZ 2.92Å; K67-Y69 PolarHBondContact O-N 3.24Å; K67-Y69 VanDerWaalsContact O-N 3.12Å; K67-K70 WeakPolarHBondContact O-CB 3.45Å; K67-K70 WeakPolarHBondContact O-CG 3.44Å; K67-K70 PolarHBondContact O-N 2.88Å; K67-L168 HydrophobicContact CG-CD1 3.7Å
68E94.6Very high94.1Very high142 Ų14253.8 Ų53.866%0.66426%0.257SS*.THydrogen-bonded Turntrans-61.2-20.6177.2-64177.9-177.900113.1E64 E65 R66E64-E68 PolarHBondContact O-N 3.22Å; E65-E68 WeakPolarHBondContact O-CB 3.38Å; E65-E68 PolarHBondContact O-N 3.43Å; R66-E68 VanDerWaalsContact C-N 3.27Å; R66-E68 PolarHBondContact O-N 3.33Å
69Y95.8Very high94.8Very high40 Ų4055.8 Ų55.816%0.15726%0.256CS..THydrogen-bonded Turntrans-81-12.3176.2-77.1-89000114.4Y61 E65 R66 K67 I72 I73 V174 S177Y61-Y69 HydrophobicContact CD1-CE2 4.35Å; Y61-Y69 HydrophobicContact CE1-CE2 4.24Å; E65-Y69 VanDerWaalsContact O-CD2 3.28Å; E65-Y69 WeakPolarHBondContact O-CD2 3.49Å; R66-Y69 WeakPolarHBondContact O-CB 3.19Å; R66-Y69 PolarHBondContact O-N 2.86Å; R66-Y69 VanDerWaalsContact O-N 3.13Å; K67-Y69 PolarHBondContact O-N 3.24Å; K67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-I72 HydrophobicContact CD1-CD1 4Å; Y69-I72 HydrophobicContact CE1-CD1 4.38Å; Y69-I72 WeakPolarHBondContact O-CB 3.18Å; Y69-I72 PolarHBondContact O-N 3.12Å; Y69-I73 WeakPolarHBondContact O-CD1 3.36Å; Y69-I73 VanDerWaalsContact O-CG1 3.27Å; Y69-I73 WeakPolarHBondContact O-CG1 3.42Å; Y69-I73 PolarHBondContact O-N 2.69Å; Y69-V174 HydrophobicContact CD1-CG1 4.4Å; Y69-V174 HydrophobicContact CD2-CG1 4.11Å; Y69-V174 HydrophobicContact CD2-CG2 3.78Å; Y69-V174 HydrophobicContact CE1-CG1 4.04Å; Y69-V174 HydrophobicContact CE2-CG1 3.74Å; Y69-V174 HydrophobicContact CE2-CG2 4.23Å; Y69-V174 HydrophobicContact CG-CG1 4.42Å; Y69-V174 HydrophobicContact CG-CG2 3.97Å; Y69-S177 VanDerWaalsContact CD1-OG 3.24Å; Y69-S177 WeakPolarHBondContact CD1-OG 3.32Å; Y69-S177 WeakPolarHBondContact CE1-OG 3.42Å
70K95.4Very high95.4Very high50 Ų5048.6 Ų48.622%0.21722%0.223CC..Hα-helixtrans-51-58.7179.6-76.7-173.8174.1-162.70113.6K67 I72 I73 F74 Y167 P169K67-K70 WeakPolarHBondContact O-CB 3.45Å; K67-K70 WeakPolarHBondContact O-CG 3.44Å; K67-K70 PolarHBondContact O-N 2.88Å; K70-I72 PolarHBondContact O-N 3.27Å; K70-I73 PolarHBondContact O-N 3.04Å; K70-I73 VanDerWaalsContact O-N 3.11Å; K70-F74 HydrophobicContact CB-CE2 4.2Å; K70-F74 HydrophobicContact CB-CZ 4.42Å; K70-F74 WeakPolarHBondContact O-CD2 3.49Å; K70-F74 VanDerWaalsContact O-CG 3.23Å; K70-F74 WeakPolarHBondContact O-CG 3.4Å; K70-F74 PolarHBondContact O-N 3.48Å; K70-Y167 WeakPolarHBondContact CE-O 3.47Å; K70-Y167 HydrophobicContact CG-CD1 4.46Å; K70-Y167 HydrophobicContact CG-CE1 4.45Å; K70-Y167 PolarHBondContact NZ-O 3.19Å; K70-P169 HydrophobicContact CG-CG 3.81Å
71P94.7Very high95.9Very high36 Ų3648.3 Ų48.323%0.23422%0.219CC..Hα-helixtrans-60.2-34.8-179.223-34.6000112.1A75P71-A75 WeakPolarHBondContact O-CB 3.43Å; P71-A75 PolarHBondContact O-N 2.91Å
72I95.7Very high96.2Very high48 Ų4847.6 Ų47.625%0.24622%0.217CC..Hα-helixtrans-64.3-47176.9-59.7169.7000110.6Y69 K70 A75 N76 V179Y69-I72 HydrophobicContact CD1-CD1 4Å; Y69-I72 HydrophobicContact CE1-CD1 4.38Å; Y69-I72 WeakPolarHBondContact O-CB 3.18Å; Y69-I72 PolarHBondContact O-N 3.12Å; K70-I72 PolarHBondContact O-N 3.27Å; I72-A75 PolarHBondContact O-N 2.84Å; I72-N76 WeakPolarHBondContact O-CB 3.2Å; I72-N76 PolarHBondContact O-N 3.49Å; I72-N76 PolarHBondContact O-ND2 3.23Å; I72-N76 PolarHBondContact O-OD1 3.21Å; I72-V179 HydrophobicContact CD1-CG2 3.91Å; I72-V179 HydrophobicContact CG1-CG2 4.35Å; I72-V179 HydrophobicContact CG2-CG2 3.67Å
73I97Very high96.4Very high0 Ų043.5 Ų43.50%020%0.204CC..Hα-helixtrans-63.8-44.1-179.7-70.2157.9000110.3Y69 K70 N76 T77 Y155 I162 P169 D173Y69-I73 WeakPolarHBondContact O-CD1 3.36Å; Y69-I73 VanDerWaalsContact O-CG1 3.27Å; Y69-I73 WeakPolarHBondContact O-CG1 3.42Å; Y69-I73 PolarHBondContact O-N 2.69Å; K70-I73 PolarHBondContact O-N 3.04Å; K70-I73 VanDerWaalsContact O-N 3.11Å; I73-N76 PolarHBondContact O-N 3.34Å; I73-T77 WeakPolarHBondContact O-CB 3.46Å; I73-T77 PolarHBondContact O-N 3.09Å; I73-T77 PolarHBondContact O-OG1 3.37Å; I73-Y155 HydrophobicContact CB-CE1 4.44Å; I73-Y155 HydrophobicContact CG1-CE1 4.26Å; I73-Y155 HydrophobicContact CG2-CD1 3.8Å; I73-Y155 HydrophobicContact CG2-CE1 3.52Å; I73-I162 HydrophobicContact CG2-CD1 4.5Å; I73-P169 HydrophobicContact CD1-CB 3.69Å; I73-P169 HydrophobicContact CD1-CG 3.72Å; I73-D173 HydrophobicContact CD1-CB 3.72Å
74F96.7Very high96.6Very high6 Ų638.3 Ų38.33%0.02618%0.18CC..Hα-helixtrans-64.8-46.8178.1-60.5-19000111.8K70 N76 T77 V78 Y110 V114 G117 F119 I162 Y167K70-F74 HydrophobicContact CB-CE2 4.2Å; K70-F74 HydrophobicContact CB-CZ 4.42Å; K70-F74 WeakPolarHBondContact O-CD2 3.49Å; K70-F74 VanDerWaalsContact O-CG 3.23Å; K70-F74 WeakPolarHBondContact O-CG 3.4Å; K70-F74 PolarHBondContact O-N 3.48Å; F74-N76 VanDerWaalsContact C-N 3.35Å; F74-N76 PolarHBondContact O-N 3.06Å; F74-T77 WeakPolarHBondContact O-CB 3.42Å; F74-T77 PolarHBondContact O-N 3.02Å; F74-T77 VanDerWaalsContact O-N 3.16Å; F74-V78 WeakPolarHBondContact O-CG2 3.27Å; F74-V78 PolarHBondContact O-N 2.79Å; F74-Y110 WeakPolarHBondContact CB-OH 2.8Å; F74-V114 HydrophobicContact CB-CG2 4.1Å; F74-G117 VanDerWaalsContact CE2-O 3.28Å; F74-G117 WeakPolarHBondContact CE2-O 3.09Å; F74-F119 HydrophobicContact CB-CD2 3.83Å; F74-F119 HydrophobicContact CB-CE2 4.12Å; F74-F119 HydrophobicContact CD1-CB 4.49Å; F74-F119 AromaticContact CD1-CD2 3.5Å; F74-F119 HydrophobicContact CD1-CD2 3.5Å; F74-F119 VanDerWaalsContact CD1-CD2 3.5Å; F74-F119 AromaticContact CD1-CE2 3.93Å; F74-F119 HydrophobicContact CD1-CE2 3.93Å; F74-F119 HydrophobicContact CD1-CG 4.25Å; F74-F119 HydrophobicContact CD2-CB 4.06Å; F74-F119 AromaticContact CD2-CD2 3.86Å; F74-F119 HydrophobicContact CD2-CD2 3.86Å; F74-F119 HydrophobicContact CD2-CG 4.45Å; F74-F119 HydrophobicContact CE1-CB 4.18Å; F74-F119 AromaticContact CE1-CD2 3.94Å; F74-F119 HydrophobicContact CE1-CD2 3.94Å; F74-F119 HydrophobicContact CE1-CG 4.25Å; F74-F119 HydrophobicContact CE2-CB 3.69Å; F74-F119 HydrophobicContact CE2-CD2 4.24Å; F74-F119 HydrophobicContact CE2-CG 4.42Å; F74-F119 HydrophobicContact CG-CB 4.45Å; F74-F119 AromaticContact CG-CD2 3.46Å; F74-F119 HydrophobicContact CG-CD2 3.46Å; F74-F119 VanDerWaalsContact CG-CD2 3.46Å; F74-F119 HydrophobicContact CG-CE2 4.09Å; F74-F119 HydrophobicContact CG-CG 4.37Å; F74-F119 HydrophobicContact CZ-CB 3.76Å; F74-F119 HydrophobicContact CZ-CD2 4.29Å; F74-F119 HydrophobicContact CZ-CG 4.32Å; F74-I162 HydrophobicContact CE1-CB 4.34Å; F74-I162 WeakPolarHBondContact CE1-O 3.48Å; F74-I162 WeakPolarHBondContact CZ-O 3.26Å; F74-Y167 AromaticContact CE1-CD1 3.9Å; F74-Y167 HydrophobicContact CE1-CD1 3.9Å; F74-Y167 AromaticContact CE1-CE1 3.8Å; F74-Y167 HydrophobicContact CE1-CE1 3.8Å; F74-Y167 AromaticContact CZ-CD1 3.89Å; F74-Y167 HydrophobicContact CZ-CD1 3.89Å; F74-Y167 HydrophobicContact CZ-CE1 4.16Å
75A96Very high96.8Very high12 Ų1232.8 Ų32.810%0.09915%0.154CC..Hα-helixtrans-58.1-46.1174.200000111.5P71 I72 T77 V78 Q79 V114P71-A75 WeakPolarHBondContact O-CB 3.43Å; P71-A75 PolarHBondContact O-N 2.91Å; I72-A75 PolarHBondContact O-N 2.84Å; A75-T77 VanDerWaalsContact C-N 3.3Å; A75-T77 PolarHBondContact O-N 3.23Å; A75-V78 PolarHBondContact O-N 3.21Å; A75-Q79 WeakPolarHBondContact O-CB 3.42Å; A75-Q79 WeakPolarHBondContact O-CG 3.47Å; A75-Q79 PolarHBondContact O-N 3.42Å; A75-V114 HydrophobicContact CB-CG1 4.14Å; A75-V114 HydrophobicContact CB-CG2 3.96Å
76N97.2Very high96.9Very high8 Ų835.3 Ų35.34%0.04316%0.164CC..Hα-helixtrans-61.5-37.2177.3-71176.3000112.7I72 I73 F74 S80 R178I72-N76 WeakPolarHBondContact O-CB 3.2Å; I72-N76 PolarHBondContact O-N 3.49Å; I72-N76 PolarHBondContact O-ND2 3.23Å; I72-N76 PolarHBondContact O-OD1 3.21Å; I73-N76 PolarHBondContact O-N 3.34Å; F74-N76 VanDerWaalsContact C-N 3.35Å; F74-N76 PolarHBondContact O-N 3.06Å; N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.13Å; N76-S80 VanDerWaalsContact O-N 3.08Å; N76-S80 PolarHBondContact O-OG 3.17Å; N76-R178 PolarHBondContact ND2-O 3.47Å; N76-R178 VanDerWaalsContact ND2-O 3.1Å; N76-R178 PolarHBondContact OD1-N 2.88Å; N76-R178 PolarHBondContact OD1-O 3.22Å
77T97.7Very high97Very high0 Ų033.4 Ų33.40%016%0.157CC..Hα-helixtrans-66.7-52.1178.3-55.30000110.5I73 F74 A75 S80 M81 L127 Y155 L156 I162I73-T77 WeakPolarHBondContact O-CB 3.46Å; I73-T77 PolarHBondContact O-N 3.09Å; I73-T77 PolarHBondContact O-OG1 3.37Å; F74-T77 WeakPolarHBondContact O-CB 3.42Å; F74-T77 PolarHBondContact O-N 3.02Å; F74-T77 VanDerWaalsContact O-N 3.16Å; A75-T77 VanDerWaalsContact C-N 3.3Å; A75-T77 PolarHBondContact O-N 3.23Å; T77-S80 WeakPolarHBondContact O-CB 3.43Å; T77-S80 PolarHBondContact O-N 2.97Å; T77-M81 PolarHBondContact O-N 3.38Å; T77-M81 VanDerWaalsContact O-N 3.15Å; T77-L127 HydrophobicContact CG2-CD1 4.44Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.17Å; T77-L156 HydrophobicContact CG2-CD2 3.8Å; T77-I162 HydrophobicContact CG2-CD1 4.01Å
78V97.4Very high97.1Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-68.4-41.6-178177.20000111.5F74 A75 S80 M81 V82 L107 Y110 L111 L123 L127F74-V78 WeakPolarHBondContact O-CG2 3.27Å; F74-V78 PolarHBondContact O-N 2.79Å; A75-V78 PolarHBondContact O-N 3.21Å; V78-S80 VanDerWaalsContact C-N 3.25Å; V78-S80 PolarHBondContact O-N 3.19Å; V78-M81 PolarHBondContact O-N 3.49Å; V78-M81 VanDerWaalsContact O-N 3.15Å; V78-V82 HydrophobicContact CG1-CG2 4.38Å; V78-V82 WeakPolarHBondContact O-CG2 3.34Å; V78-V82 PolarHBondContact O-N 3.43Å; V78-L107 HydrophobicContact CG1-CB 3.99Å; V78-L107 HydrophobicContact CG1-CD2 4.14Å; V78-Y110 HydrophobicContact CB-CD1 4.2Å; V78-Y110 HydrophobicContact CB-CE1 4.44Å; V78-Y110 HydrophobicContact CG1-CD1 4.14Å; V78-Y110 HydrophobicContact CG2-CD1 3.68Å; V78-Y110 HydrophobicContact CG2-CE1 3.7Å; V78-L111 HydrophobicContact CB-CD2 3.83Å; V78-L111 HydrophobicContact CB-CG 4.32Å; V78-L111 HydrophobicContact CG1-CD1 4.1Å; V78-L111 HydrophobicContact CG1-CD2 3.75Å; V78-L111 HydrophobicContact CG1-CG 3.65Å; V78-L123 HydrophobicContact CG2-CD2 4.16Å; V78-L127 HydrophobicContact CG2-CD1 4.04Å
79Q97.5Very high97.1Very high80 Ų8029.5 Ų29.537%0.37414%0.141SC..Hα-helixtrans-59.5-37.5174-73.8168.42.500112A75 V82 K83 L111A75-Q79 WeakPolarHBondContact O-CB 3.42Å; A75-Q79 WeakPolarHBondContact O-CG 3.47Å; A75-Q79 PolarHBondContact O-N 3.42Å; Q79-V82 PolarHBondContact O-N 3.21Å; Q79-K83 WeakPolarHBondContact O-CB 3.25Å; Q79-K83 VanDerWaalsContact O-CG 3.24Å; Q79-K83 WeakPolarHBondContact O-CG 3.5Å; Q79-K83 PolarHBondContact O-N 2.99Å; Q79-L111 HydrophobicContact CG-CD1 3.94Å; Q79-L111 HydrophobicContact CG-CD2 3.77Å
80S98.3Very high97.1Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-62.2-46.4174.7-62.80000111.4N76 T77 V78 K83 I84N76-S80 WeakPolarHBondContact O-CB 3.48Å; N76-S80 PolarHBondContact O-N 3.13Å; N76-S80 VanDerWaalsContact O-N 3.08Å; N76-S80 PolarHBondContact O-OG 3.17Å; T77-S80 WeakPolarHBondContact O-CB 3.43Å; T77-S80 PolarHBondContact O-N 2.97Å; V78-S80 VanDerWaalsContact C-N 3.25Å; V78-S80 PolarHBondContact O-N 3.19Å; S80-K83 WeakPolarHBondContact O-CB 3.48Å; S80-K83 PolarHBondContact O-N 3.36Å; S80-I84 VanDerWaalsContact O-CG1 3.31Å; S80-I84 WeakPolarHBondContact O-CG1 3.35Å; S80-I84 PolarHBondContact O-N 2.95Å
81M98.5Very high97.2Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-62.7-46.1176-175.759.470.700112T77 V78 K83 I84 L85 L107 L127 L130 W131 V136 L156T77-M81 PolarHBondContact O-N 3.38Å; T77-M81 VanDerWaalsContact O-N 3.15Å; V78-M81 PolarHBondContact O-N 3.49Å; V78-M81 VanDerWaalsContact O-N 3.15Å; M81-K83 VanDerWaalsContact C-N 3.27Å; M81-K83 PolarHBondContact O-N 3.43Å; M81-I84 PolarHBondContact O-N 3.19Å; M81-I84 VanDerWaalsContact O-N 3.1Å; M81-L85 HydrophobicContact CG-CD1 4.42Å; M81-L85 HydrophobicContact CG-CG 4.39Å; M81-L85 WeakPolarHBondContact O-CG 3.45Å; M81-L85 PolarHBondContact O-N 3.3Å; M81-L85 HydrophobicContact SD-CD2 4.46Å; M81-L85 HydrophobicContact SD-CG 4.28Å; M81-L107 HydrophobicContact CB-CD1 4.1Å; M81-L107 HydrophobicContact CG-CD1 3.55Å; M81-L127 HydrophobicContact CB-CD2 3.73Å; M81-L127 HydrophobicContact CE-CD2 4.4Å; M81-L127 HydrophobicContact CG-CD2 3.82Å; M81-L130 HydrophobicContact CE-CB 3.64Å; M81-L130 HydrophobicContact CG-CD1 3.92Å; M81-L130 HydrophobicContact SD-CB 3.8Å; M81-L130 HydrophobicContact SD-CD1 4.1Å; M81-W131 HydrophobicContact CE-CB 4.12Å; M81-W131 HydrophobicContact CE-CE3 4.38Å; M81-V136 HydrophobicContact CE-CG1 4.36Å; M81-V136 HydrophobicContact SD-CG1 4.11Å; M81-L156 HydrophobicContact CB-CD2 4.3Å; M81-L156 HydrophobicContact CE-CD1 4.35Å; M81-L156 HydrophobicContact CE-CD2 3.88Å
82V98.3Very high97.2Very high9 Ų935.7 Ų35.76%0.05518%0.183CC..Hα-helixtrans-57-41.2176.6169.70000111.5V78 Q79 K86 L104 L107 L111V78-V82 HydrophobicContact CG1-CG2 4.38Å; V78-V82 WeakPolarHBondContact O-CG2 3.34Å; V78-V82 PolarHBondContact O-N 3.43Å; Q79-V82 PolarHBondContact O-N 3.21Å; V82-K86 HydrophobicContact CG1-CD 4.12Å; V82-K86 WeakPolarHBondContact O-CB 3.41Å; V82-K86 WeakPolarHBondContact O-CG 3.37Å; V82-K86 PolarHBondContact O-N 3.19Å; V82-L104 HydrophobicContact CB-CD2 4.45Å; V82-L104 HydrophobicContact CG1-CD2 3.98Å; V82-L107 HydrophobicContact CG2-CB 3.57Å; V82-L107 HydrophobicContact CG2-CD1 3.98Å; V82-L107 HydrophobicContact CG2-CG 4.44Å; V82-L111 HydrophobicContact CG2-CD1 4.09Å
83K98.3Very high97.3Very high70 Ų7034.5 Ų34.530%0.30418%0.177SC..Hα-helixtrans-63.4-43.3176.1-77.2169.4165.2-155.80112.1Q79 S80 M81 A87 Q147 L148 N149Q79-K83 WeakPolarHBondContact O-CB 3.25Å; Q79-K83 VanDerWaalsContact O-CG 3.24Å; Q79-K83 WeakPolarHBondContact O-CG 3.5Å; Q79-K83 PolarHBondContact O-N 2.99Å; S80-K83 WeakPolarHBondContact O-CB 3.48Å; S80-K83 PolarHBondContact O-N 3.36Å; M81-K83 VanDerWaalsContact C-N 3.27Å; M81-K83 PolarHBondContact O-N 3.43Å; K83-A87 VanDerWaalsContact O-CB 3.31Å; K83-A87 WeakPolarHBondContact O-CB 3.21Å; K83-A87 PolarHBondContact O-N 3.42Å; K83-Q147 VanDerWaalsContact CD-O 3.3Å; K83-Q147 WeakPolarHBondContact CD-O 3.28Å; K83-Q147 WeakPolarHBondContact CE-O 3.24Å; K83-Q147 PolarHBondContact NZ-O 3.12Å; K83-L148 HydrophobicContact CB-CD1 4.09Å; K83-L148 HydrophobicContact CD-CD1 4.33Å; K83-N149 PolarHBondContact NZ-OD1 3.3Å
84I98.6Very high97.3Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-63-49.4177.4-64.1162000110S80 M81 K86 A87 M88 W131 V136 C139 F140 Y146 L148 L156S80-I84 VanDerWaalsContact O-CG1 3.31Å; S80-I84 WeakPolarHBondContact O-CG1 3.35Å; S80-I84 PolarHBondContact O-N 2.95Å; M81-I84 PolarHBondContact O-N 3.19Å; M81-I84 VanDerWaalsContact O-N 3.1Å; I84-K86 PolarHBondContact O-N 3.13Å; I84-A87 WeakPolarHBondContact O-CB 3.33Å; I84-A87 PolarHBondContact O-N 3.38Å; I84-A87 VanDerWaalsContact O-N 3.08Å; I84-M88 PolarHBondContact O-N 3.38Å; I84-W131 HydrophobicContact CD1-CZ3 4.06Å; I84-V136 HydrophobicContact CG2-CG1 3.89Å; I84-C139 HydrophobicContact CG2-CB 3.89Å; I84-C139 PolarHBondContact O-SG 3.04Å; I84-C139 VanDerWaalsContact O-SG 3.35Å; I84-F140 HydrophobicContact CD1-CD2 4.05Å; I84-Y146 HydrophobicContact CG1-CE2 4.36Å; I84-L148 HydrophobicContact CD1-CD1 4.44Å; I84-L148 HydrophobicContact CD1-CD2 4.25Å; I84-L148 HydrophobicContact CG1-CD1 4.02Å; I84-L148 HydrophobicContact CG1-CD2 4Å; I84-L156 HydrophobicContact CD1-CD1 3.65Å
85L98.2Very high97.3Very high0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-60.2-44.1178.8-66.8-174.1000112M81 A87 M88 F98 Q100 E103 L104 L107 L130 V136M81-L85 HydrophobicContact CG-CD1 4.42Å; M81-L85 HydrophobicContact CG-CG 4.39Å; M81-L85 WeakPolarHBondContact O-CG 3.45Å; M81-L85 PolarHBondContact O-N 3.3Å; M81-L85 HydrophobicContact SD-CD2 4.46Å; M81-L85 HydrophobicContact SD-CG 4.28Å; L85-A87 VanDerWaalsContact C-N 3.29Å; L85-A87 PolarHBondContact O-N 2.9Å; L85-M88 HydrophobicContact CD2-SD 3.77Å; L85-M88 WeakPolarHBondContact O-CB 3.25Å; L85-M88 PolarHBondContact O-N 2.9Å; L85-F98 HydrophobicContact CD2-CE2 3.83Å; L85-F98 HydrophobicContact CD2-CZ 3.93Å; L85-Q100 HydrophobicContact CB-CG 4.48Å; L85-Q100 PolarHBondContact O-NE2 2.92Å; L85-E103 HydrophobicContact CD1-CB 4.2Å; L85-L104 HydrophobicContact CB-CD2 3.81Å; L85-L104 HydrophobicContact CB-CG 4.06Å; L85-L104 HydrophobicContact CD1-CD2 4.21Å; L85-L104 HydrophobicContact CD1-CG 4.17Å; L85-L107 HydrophobicContact CD1-CD1 3.85Å; L85-L130 HydrophobicContact CD1-CD1 4.2Å; L85-V136 HydrophobicContact CD2-CG2 4.04Å
86K97.7Very high97.1Very high111 Ų11143.9 Ų43.948%0.48323%0.234SC..Hα-helixtrans-63.1-36.1174.8-73.7179.5177.5179.70112.5V82 I84 M88 E89 L104V82-K86 HydrophobicContact CG1-CD 4.12Å; V82-K86 WeakPolarHBondContact O-CB 3.41Å; V82-K86 WeakPolarHBondContact O-CG 3.37Å; V82-K86 PolarHBondContact O-N 3.19Å; I84-K86 PolarHBondContact O-N 3.13Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 3.45Å; K86-E89 PolarHBondContact O-N 3.06Å; K86-L104 HydrophobicContact CG-CD1 4.29Å; K86-L104 HydrophobicContact CG-CD2 4.03Å
87A98Very high97Very high4 Ų447 Ų473%0.03327%0.269CS..Hα-helixtrans-68.4-29.3178.300000112.6K83 I84 L85 E89 S90 L91 Y146K83-A87 VanDerWaalsContact O-CB 3.31Å; K83-A87 WeakPolarHBondContact O-CB 3.21Å; K83-A87 PolarHBondContact O-N 3.42Å; I84-A87 WeakPolarHBondContact O-CB 3.33Å; I84-A87 PolarHBondContact O-N 3.38Å; I84-A87 VanDerWaalsContact O-N 3.08Å; L85-A87 VanDerWaalsContact C-N 3.29Å; L85-A87 PolarHBondContact O-N 2.9Å; A87-E89 VanDerWaalsContact C-N 3.25Å; A87-E89 PolarHBondContact O-N 3.49Å; A87-S90 WeakPolarHBondContact CA-OG 3.48Å; A87-S90 PolarHBondContact O-N 2.58Å; A87-S90 VanDerWaalsContact O-N 3.14Å; A87-S90 PolarHBondContact O-OG 2.9Å; A87-L91 HydrophobicContact CB-CD1 4.45Å; A87-L91 VanDerWaalsContact O-CB 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 WeakPolarHBondContact O-CG 3.37Å; A87-L91 PolarHBondContact O-N 2.81Å; A87-Y146 HydrophobicContact CB-CD1 3.51Å; A87-Y146 HydrophobicContact CB-CD2 3.59Å; A87-Y146 HydrophobicContact CB-CE1 3.67Å; A87-Y146 HydrophobicContact CB-CE2 3.76Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å
88M98.2Very high96.9Very high0 Ų048.2 Ų48.20%027%0.274CS..Hα-helixtrans-55-41.9175.7-72.2174.558.300112.2I84 L85 K86 L91 D92 I93 A95 F98 S135 V136 C139I84-M88 PolarHBondContact O-N 3.38Å; L85-M88 HydrophobicContact CD2-SD 3.77Å; L85-M88 WeakPolarHBondContact O-CB 3.25Å; L85-M88 PolarHBondContact O-N 2.9Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 3.45Å; M88-L91 PolarHBondContact O-N 2.89Å; M88-D92 PolarHBondContact O-N 2.96Å; M88-I93 HydrophobicContact CB-CB 4.24Å; M88-I93 HydrophobicContact CE-CG2 4.3Å; M88-I93 HydrophobicContact CG-CB 4.36Å; M88-I93 PolarHBondContact O-N 3.14Å; M88-A95 HydrophobicContact CE-CB 3.94Å; M88-F98 HydrophobicContact CE-CZ 3.89Å; M88-F98 HydrophobicContact SD-CZ 4.17Å; M88-S135 WeakPolarHBondContact CE-OG 3.23Å; M88-V136 HydrophobicContact SD-CG2 4.11Å; M88-C139 HydrophobicContact CG-CB 3.57Å
89E94.6Very high96.9Very high146 Ų14652.4 Ų52.468%0.68230%0.296SS*.Hα-helixtrans-63.7-48.7175.9-174.8178.6-170.800111.3K86 A87 L91 D92K86-E89 PolarHBondContact O-N 3.06Å; A87-E89 VanDerWaalsContact C-N 3.25Å; A87-E89 PolarHBondContact O-N 3.49Å; E89-L91 PolarHBondContact O-N 3.5Å; E89-D92 PolarHBondContact O-N 3.31Å
90S94.5Very high96.8Very high84 Ų8450.4 Ų50.459%0.58729%0.287SS*.Hα-helixtrans-67.3-16.7179.966.50000114.8A87A87-S90 WeakPolarHBondContact CA-OG 3.48Å; A87-S90 PolarHBondContact O-N 2.58Å; A87-S90 VanDerWaalsContact O-N 3.14Å; A87-S90 PolarHBondContact O-OG 2.9Å
91L97.1Very high96.7Very high18 Ų1853.6 Ų53.69%0.09431%0.313CS..THydrogen-bonded Turntrans-109.78.4-176-64.6-176.4000112.7A87 M88 E89 I93 R142 E145 Y146A87-L91 HydrophobicContact CB-CD1 4.45Å; A87-L91 VanDerWaalsContact O-CB 3.29Å; A87-L91 WeakPolarHBondContact O-CB 3.36Å; A87-L91 WeakPolarHBondContact O-CG 3.37Å; A87-L91 PolarHBondContact O-N 2.81Å; M88-L91 PolarHBondContact O-N 2.89Å; E89-L91 PolarHBondContact O-N 3.5Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 HydrophobicContact CB-CD1 4.05Å; L91-I93 HydrophobicContact CB-CG1 4Å; L91-I93 HydrophobicContact CD1-CD1 4.47Å; L91-I93 PolarHBondContact O-N 3.08Å; L91-R142 HydrophobicContact CD1-CB 3.92Å; L91-R142 PolarHBondContact O-NH1 3.27Å; L91-E145 HydrophobicContact CD1-CB 4.49Å; L91-E145 HydrophobicContact CD2-CB 3.89Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.37Å; L91-Y146 HydrophobicContact CD1-CD1 3.95Å; L91-Y146 HydrophobicContact CD1-CE1 4Å
92D96.5Very high96.6Very high153 Ų15358.4 Ų58.482%0.81834%0.339SS*.THydrogen-bonded Turntrans54.341.1-178.1-60.2-55.4000113.1M88 E89M88-D92 PolarHBondContact O-N 2.96Å; E89-D92 PolarHBondContact O-N 3.31Å
93I97.6Very high96.5Very high23 Ų2359.2 Ų59.212%0.11834%0.342CS..  trans-102.6104.6177.9-53.7-179.4000109.1M88 L91 A95 C139M88-I93 HydrophobicContact CB-CB 4.24Å; M88-I93 HydrophobicContact CE-CG2 4.3Å; M88-I93 HydrophobicContact CG-CB 4.36Å; M88-I93 PolarHBondContact O-N 3.14Å; L91-I93 VanDerWaalsContact C-N 3.29Å; L91-I93 HydrophobicContact CB-CD1 4.05Å; L91-I93 HydrophobicContact CB-CG1 4Å; L91-I93 HydrophobicContact CD1-CD1 4.47Å; L91-I93 PolarHBondContact O-N 3.08Å; I93-A95 PolarHBondContact O-N 3.14Å; I93-C139 HydrophobicContact CD1-CB 3.76Å
94T96.9Very high96.5Very high125 Ų12557 Ų5777%0.76733%0.333SS*.  trans-67.4131.3176.7-48.50000111.6S135T94-S135 VanDerWaalsContact O-CB 3.31Å; T94-S135 WeakPolarHBondContact O-CB 3.49Å
95A95.9Very high96.4Very high26 Ų2664.6 Ų64.622%0.21537%0.367CS..  trans-62.4135.3171.800000111.6M88 I93 F98 Q100M88-A95 HydrophobicContact CE-CB 3.94Å; I93-A95 PolarHBondContact O-N 3.14Å; A95-F98 HydrophobicContact CB-CD1 4.33Å; A95-F98 HydrophobicContact CB-CD2 4.16Å; A95-F98 HydrophobicContact CB-CE1 3.88Å; A95-F98 HydrophobicContact CB-CE2 3.69Å; A95-F98 HydrophobicContact CB-CG 4.47Å; A95-F98 HydrophobicContact CB-CZ 3.55Å; A95-Q100 HydrophobicContact CB-CB 4.27Å
96D93.2Very high96.3Very high64 Ų6468.9 Ų68.934%0.34239%0.386SS..SBendtrans-113.6113.9176.660.5-25.8000110.8N133 T134 S135D96-N133 PolarHBondContact O-ND2 2.95Å; D96-N133 PolarHBondContact OD1-ND2 3.11Å; D96-N133 PolarHBondContact OD1-OD1 2.89Å; D96-T134 WeakPolarHBondContact OD2-CB 3.46Å; D96-S135 PolarHBondContact N-OG 3.1Å; D96-S135 WeakPolarHBondContact OD1-CB 3.28Å; D96-S135 PolarHBondContact OD1-N 3.12Å; D96-S135 VanDerWaalsContact OD1-N 3.1Å; D96-S135 PolarHBondContact OD1-OG 3.44Å
97G93.5Very high96.2Very high75 Ų7563.6 Ų63.677%0.77336%0.363SS*.SBendtrans80.714.6174.700000116.3
98F96.3Very high96.1Very high25 Ų2566.5 Ų66.511%0.1138%0.378CS..SBendtrans-152.2158.6169.565.9-85.6000111.2L85 M88 A95 Q100 E103 L130 N133 V136L85-F98 HydrophobicContact CD2-CE2 3.83Å; L85-F98 HydrophobicContact CD2-CZ 3.93Å; M88-F98 HydrophobicContact CE-CZ 3.89Å; M88-F98 HydrophobicContact SD-CZ 4.17Å; A95-F98 HydrophobicContact CB-CD1 4.33Å; A95-F98 HydrophobicContact CB-CD2 4.16Å; A95-F98 HydrophobicContact CB-CE1 3.88Å; A95-F98 HydrophobicContact CB-CE2 3.69Å; A95-F98 HydrophobicContact CB-CG 4.47Å; A95-F98 HydrophobicContact CB-CZ 3.55Å; F98-Q100 HydrophobicContact CE2-CB 4.07Å; F98-E103 HydrophobicContact CB-CG 4.2Å; F98-E103 HydrophobicContact CD2-CG 3.79Å; F98-E103 HydrophobicContact CG-CG 4.39Å; F98-L130 HydrophobicContact CD1-CD2 4.13Å; F98-L130 HydrophobicContact CD2-CD2 3.85Å; F98-L130 HydrophobicContact CE1-CD2 4.25Å; F98-L130 HydrophobicContact CE2-CD2 3.97Å; F98-L130 HydrophobicContact CG-CD2 3.93Å; F98-L130 HydrophobicContact CZ-CD2 4.15Å; F98-N133 HydrophobicContact CE1-CB 4.45Å; F98-V136 HydrophobicContact CE1-CG2 4.1Å; F98-V136 HydrophobicContact CZ-CG2 3.93Å
99D96.5Very high95.9Very high87 Ų8768.5 Ų68.547%0.46540%0.399SS..  trans-91.4108.1172-175.4-45.4000109.4A101 D102 E103D99-A101 VanDerWaalsContact C-N 3.25Å; D99-A101 PolarHBondContact O-N 2.82Å; D99-A101 WeakPolarHBondContact OD1-CA 3.03Å; D99-A101 WeakPolarHBondContact OD1-CB 3.28Å; D99-A101 PolarHBondContact OD1-N 2.73Å; D99-D102 HydrophobicContact CB-CB 4.05Å; D99-D102 PolarHBondContact O-N 3.45Å; D99-D102 PolarHBondContact OD1-N 3.11Å; D99-D102 VanDerWaalsContact OD1-N 3.1Å; D99-E103 VanDerWaalsContact O-CG 3.27Å; D99-E103 WeakPolarHBondContact O-CG 3.36Å; D99-E103 PolarHBondContact O-N 2.99Å
100Q96.1Very high95.8Very high38 Ų3862.6 Ų62.618%0.17837%0.371CS..Hα-helixtrans-58.5-34.6-176.3-176.3-175.8-22.400113.4L85 A95 F98 L104L85-Q100 HydrophobicContact CB-CG 4.48Å; L85-Q100 PolarHBondContact O-NE2 2.92Å; A95-Q100 HydrophobicContact CB-CB 4.27Å; F98-Q100 HydrophobicContact CE2-CB 4.07Å; Q100-L104 HydrophobicContact CG-CD1 4.21Å; Q100-L104 VanDerWaalsContact O-CB 3.29Å; Q100-L104 WeakPolarHBondContact O-CB 3.38Å; Q100-L104 VanDerWaalsContact O-CG 3.28Å; Q100-L104 WeakPolarHBondContact O-CG 3.25Å; Q100-L104 PolarHBondContact O-N 2.94Å
101A96.1Very high95.8Very high67 Ų6760.5 Ų60.555%0.55435%0.353SS*.Hα-helixtrans-72.4-42.1-178.400000111.1D99 L104 K105D99-A101 VanDerWaalsContact C-N 3.25Å; D99-A101 PolarHBondContact O-N 2.82Å; D99-A101 WeakPolarHBondContact OD1-CA 3.03Å; D99-A101 WeakPolarHBondContact OD1-CB 3.28Å; D99-A101 PolarHBondContact OD1-N 2.73Å; A101-L104 PolarHBondContact O-N 3.32Å; A101-K105 WeakPolarHBondContact O-CB 3.32Å; A101-K105 PolarHBondContact O-N 2.99Å
102D96.7Very high95.4Very high101 Ų10163.8 Ų63.854%0.5438%0.383SS..Hα-helixtrans-65-44.9176-77.6-18.8000111.6D99 L104 K105 H106D99-D102 HydrophobicContact CB-CB 4.05Å; D99-D102 PolarHBondContact O-N 3.45Å; D99-D102 PolarHBondContact OD1-N 3.11Å; D99-D102 VanDerWaalsContact OD1-N 3.1Å; D102-L104 PolarHBondContact O-N 3.29Å; D102-K105 WeakPolarHBondContact O-CB 3.24Å; D102-K105 PolarHBondContact O-N 3.2Å; D102-H106 PolarHBondContact O-N 3.25Å
103E96.8Very high95Very high26 Ų2660 Ų6012%0.12137%0.365CS..Hα-helixtrans-65.6-40.4178.6-56.3-62.9-165.600111.1L85 F98 D99 K105 H106 L107 L126 K129 L130L85-E103 HydrophobicContact CD1-CB 4.2Å; F98-E103 HydrophobicContact CB-CG 4.2Å; F98-E103 HydrophobicContact CD2-CG 3.79Å; F98-E103 HydrophobicContact CG-CG 4.39Å; D99-E103 VanDerWaalsContact O-CG 3.27Å; D99-E103 WeakPolarHBondContact O-CG 3.36Å; D99-E103 PolarHBondContact O-N 2.99Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.12Å; E103-H106 PolarHBondContact O-N 3.39Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.3Å; E103-L107 PolarHBondContact O-N 3.27Å; E103-L126 HydrophobicContact CG-CD1 4.36Å; E103-L126 WeakPolarHBondContact OE2-CD1 3.48Å; E103-L126 WeakPolarHBondContact OE2-CD2 3.44Å; E103-K129 IonicContact OE1-NZ 3.02Å; E103-K129 PolarHBondContact OE1-NZ 3.48Å; E103-L130 HydrophobicContact CB-CD1 4.4Å; E103-L130 HydrophobicContact CG-CD2 4.19Å
104L97.5Very high94.4Very high23 Ų2359.8 Ų59.812%0.1237%0.365CS..Hα-helixtrans-60.2-41.7172.9-83.6172.5000112.1V82 L85 K86 Q100 A101 D102 N108V82-L104 HydrophobicContact CB-CD2 4.45Å; V82-L104 HydrophobicContact CG1-CD2 3.98Å; L85-L104 HydrophobicContact CB-CD2 3.81Å; L85-L104 HydrophobicContact CB-CG 4.06Å; L85-L104 HydrophobicContact CD1-CD2 4.21Å; L85-L104 HydrophobicContact CD1-CG 4.17Å; K86-L104 HydrophobicContact CG-CD1 4.29Å; K86-L104 HydrophobicContact CG-CD2 4.03Å; Q100-L104 HydrophobicContact CG-CD1 4.21Å; Q100-L104 VanDerWaalsContact O-CB 3.29Å; Q100-L104 WeakPolarHBondContact O-CB 3.38Å; Q100-L104 VanDerWaalsContact O-CG 3.28Å; Q100-L104 WeakPolarHBondContact O-CG 3.25Å; Q100-L104 PolarHBondContact O-N 2.94Å; A101-L104 PolarHBondContact O-N 3.32Å; D102-L104 PolarHBondContact O-N 3.29Å; L104-N108 WeakPolarHBondContact O-CB 3.44Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 3.34Å; L104-N108 PolarHBondContact O-ND2 3.05Å
105K96.8Very high93.6Very high161 Ų16162.5 Ų62.570%0.737%0.369SS*.Hα-helixtrans-61.9-44.6177.4-177.5-178.4175.5-174.50111.1A101 D102 E103 G109A101-K105 WeakPolarHBondContact O-CB 3.32Å; A101-K105 PolarHBondContact O-N 2.99Å; D102-K105 WeakPolarHBondContact O-CB 3.24Å; D102-K105 PolarHBondContact O-N 3.2Å; E103-K105 VanDerWaalsContact C-N 3.33Å; E103-K105 PolarHBondContact O-N 3.12Å; K105-G109 PolarHBondContact O-N 3.4Å
106H95.5Very high92.6Very high89 Ų8968.4 Ų68.441%0.41239%0.392SS..Hα-helixtrans-62-50.7177.7-171.2179.6000111.6D102 E103 N108 G109 Y110 L126D102-H106 PolarHBondContact O-N 3.25Å; E103-H106 PolarHBondContact O-N 3.39Å; H106-N108 PolarHBondContact O-N 3.47Å; H106-G109 WeakPolarHBondContact O-CA 3.44Å; H106-G109 PolarHBondContact O-N 3.45Å; H106-G109 VanDerWaalsContact O-N 3.11Å; H106-Y110 PolarHBondContact O-N 3.25Å; H106-Y110 VanDerWaalsContact O-N 3.13Å; H106-L126 HydrophobicContact CB-CD2 4.3Å; H106-L126 VanDerWaalsContact ND1-CD2 3.3Å; H106-L126 WeakPolarHBondContact ND1-CD2 3.46Å
107L96.9Very high91.8Very high0 Ų066.1 Ų66.10%038%0.383CS..Hα-helixtrans-63.4-39.5-179.4-63.8178.1000112.7V78 M81 V82 L85 E103 G109 Y110 L111 L123 L126 L127 L130V78-L107 HydrophobicContact CG1-CB 3.99Å; V78-L107 HydrophobicContact CG1-CD2 4.14Å; M81-L107 HydrophobicContact CB-CD1 4.1Å; M81-L107 HydrophobicContact CG-CD1 3.55Å; V82-L107 HydrophobicContact CG2-CB 3.57Å; V82-L107 HydrophobicContact CG2-CD1 3.98Å; V82-L107 HydrophobicContact CG2-CG 4.44Å; L85-L107 HydrophobicContact CD1-CD1 3.85Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.3Å; E103-L107 PolarHBondContact O-N 3.27Å; L107-G109 VanDerWaalsContact C-N 3.32Å; L107-Y110 PolarHBondContact O-N 3.1Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 2.8Å; L107-L111 VanDerWaalsContact O-N 3.09Å; L107-L123 HydrophobicContact CD2-CD1 3.7Å; L107-L126 HydrophobicContact CD2-CD2 3.98Å; L107-L126 HydrophobicContact CG-CD2 4.46Å; L107-L127 HydrophobicContact CD2-CD2 3.81Å; L107-L127 HydrophobicContact CD2-CG 4.4Å; L107-L130 HydrophobicContact CD1-CD1 4.2Å
108N95.9Very high91.4Very high65 Ų6567.7 Ų67.735%0.34837%0.374SS..Hα-helixtrans-67.9-32.8175-72.4-55.5000112.1L104 H106 L111 A112L104-N108 WeakPolarHBondContact O-CB 3.44Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 3.34Å; L104-N108 PolarHBondContact O-ND2 3.05Å; H106-N108 PolarHBondContact O-N 3.47Å; N108-L111 PolarHBondContact O-N 2.94Å; N108-A112 PolarHBondContact O-N 2.86Å
109G93.9Very high91.1Very high42 Ų4267.6 Ų67.643%0.43337%0.374SS..Hα-helixtrans-58.8-46.5172.200000112K105 H106 L107 A112K105-G109 PolarHBondContact O-N 3.4Å; H106-G109 WeakPolarHBondContact O-CA 3.44Å; H106-G109 PolarHBondContact O-N 3.45Å; H106-G109 VanDerWaalsContact O-N 3.11Å; L107-G109 VanDerWaalsContact C-N 3.32Å; G109-A112 WeakPolarHBondContact O-CB 3.45Å; G109-A112 PolarHBondContact O-N 2.94Å
110Y92.6Very high90.8Very high22 Ų2266.5 Ų66.59%0.08637%0.371CS..Hα-helixtrans-64.4-41.2175.3175-97.4000113.1F74 V78 H106 L107 A112 T113 V114 D118 P120 L123F74-Y110 WeakPolarHBondContact CB-OH 2.8Å; V78-Y110 HydrophobicContact CB-CD1 4.2Å; V78-Y110 HydrophobicContact CB-CE1 4.44Å; V78-Y110 HydrophobicContact CG1-CD1 4.14Å; V78-Y110 HydrophobicContact CG2-CD1 3.68Å; V78-Y110 HydrophobicContact CG2-CE1 3.7Å; H106-Y110 PolarHBondContact O-N 3.25Å; H106-Y110 VanDerWaalsContact O-N 3.13Å; L107-Y110 PolarHBondContact O-N 3.1Å; Y110-A112 PolarHBondContact O-N 2.95Å; Y110-A112 VanDerWaalsContact O-N 3.1Å; Y110-T113 CarbonylContact O-C 3.59Å; Y110-T113 PolarHBondContact O-N 3.14Å; Y110-T113 PolarHBondContact O-OG1 3.19Å; Y110-V114 HydrophobicContact CD1-CB 4.41Å; Y110-V114 HydrophobicContact CD1-CG2 4.47Å; Y110-V114 HydrophobicContact CE1-CB 3.92Å; Y110-V114 HydrophobicContact CE1-CG2 3.57Å; Y110-V114 PolarHBondContact O-N 2.77Å; Y110-D118 PolarHBondContact OH-O 2.83Å; Y110-P120 HydrophobicContact CE2-CG 4.46Å; Y110-L123 HydrophobicContact CD1-CD2 3.65Å; Y110-L123 HydrophobicContact CD2-CD2 3.46Å; Y110-L123 VanDerWaalsContact CD2-CD2 3.46Å; Y110-L123 HydrophobicContact CE1-CD2 3.69Å; Y110-L123 HydrophobicContact CE2-CD2 3.51Å; Y110-L123 HydrophobicContact CG-CD2 3.5Å; Y110-L123 VanDerWaalsContact CG-CD2 3.5Å
111L92.7Very high90.6Very high41 Ų4170.9 Ų70.922%0.21539%0.392CS..Hα-helixtrans-60.4-22.8178.6-73.3176.5000113.2V78 Q79 V82 L107 N108 T113V78-L111 HydrophobicContact CB-CD2 3.83Å; V78-L111 HydrophobicContact CB-CG 4.32Å; V78-L111 HydrophobicContact CG1-CD1 4.1Å; V78-L111 HydrophobicContact CG1-CD2 3.75Å; V78-L111 HydrophobicContact CG1-CG 3.65Å; Q79-L111 HydrophobicContact CG-CD1 3.94Å; Q79-L111 HydrophobicContact CG-CD2 3.77Å; V82-L111 HydrophobicContact CG2-CD1 4.09Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 2.8Å; L107-L111 VanDerWaalsContact O-N 3.09Å; N108-L111 PolarHBondContact O-N 2.94Å; L111-T113 VanDerWaalsContact C-N 3.31Å
112A89.9Confident90.5Very high87 Ų8773.2 Ų73.272%0.71940%0.395SS*.THydrogen-bonded Turntrans-76.4-15174.300000113.6N108 G109 Y110N108-A112 PolarHBondContact O-N 2.86Å; G109-A112 WeakPolarHBondContact O-CB 3.45Å; G109-A112 PolarHBondContact O-N 2.94Å; Y110-A112 PolarHBondContact O-N 2.95Å; Y110-A112 VanDerWaalsContact O-N 3.1Å
113T88Confident90.4Very high74 Ų7468.5 Ų68.545%0.45437%0.37SS..THydrogen-bonded Turntrans-124.84.1-17566.60000113.9Y110 L111 E115 E116Y110-T113 CarbonylContact O-C 3.59Å; Y110-T113 PolarHBondContact O-N 3.14Å; Y110-T113 PolarHBondContact O-OG1 3.19Å; L111-T113 VanDerWaalsContact C-N 3.31Å; T113-E115 PolarHBondContact O-N 3.26Å; T113-E116 PolarHBondContact O-N 2.79Å
114V85.8Confident90.3Very high18 Ų1867.8 Ų67.811%0.10937%0.368CS..G310 helixtrans-61.8-15.9-171.566.70000115.2F74 A75 Y110 E116 G117F74-V114 HydrophobicContact CB-CG2 4.1Å; A75-V114 HydrophobicContact CB-CG1 4.14Å; A75-V114 HydrophobicContact CB-CG2 3.96Å; Y110-V114 HydrophobicContact CD1-CB 4.41Å; Y110-V114 HydrophobicContact CD1-CG2 4.47Å; Y110-V114 HydrophobicContact CE1-CB 3.92Å; Y110-V114 HydrophobicContact CE1-CG2 3.57Å; Y110-V114 PolarHBondContact O-N 2.77Å; V114-E116 PolarHBondContact O-N 3.23Å; V114-E116 VanDerWaalsContact O-N 3.1Å; V114-G117 PolarHBondContact O-N 3.2Å; V114-G117 VanDerWaalsContact O-N 3.16Å
115E79.2Confident90.2Very high182 Ų18271.9 Ų71.985%0.8539%0.385SS*.G310 helixtrans-60.3-20.5-178.8-63.1-174.6171.700113.3T113 G117T113-E115 PolarHBondContact O-N 3.26Å; E115-G117 PolarHBondContact O-N 3.32Å
116E75.5Confident90.2Very high149 Ų14964.9 Ų64.970%0.69636%0.355SS*.G310 helixtrans-68.8-15.5178.8-64.5178177.500113.4T113 V114 D118T113-E116 PolarHBondContact O-N 2.79Å; V114-E116 PolarHBondContact O-N 3.23Å; V114-E116 VanDerWaalsContact O-N 3.1Å; E116-D118 PolarHBondContact O-N 3.01Å
117G76.4Confident90.4Very high16 Ų1660.6 Ų60.617%0.16534%0.335CS..  trans71.414.3177.700000114.4F74 V114 E115F74-G117 VanDerWaalsContact CE2-O 3.28Å; F74-G117 WeakPolarHBondContact CE2-O 3.09Å; V114-G117 PolarHBondContact O-N 3.2Å; V114-G117 VanDerWaalsContact O-N 3.16Å; E115-G117 PolarHBondContact O-N 3.32Å
118D84.2Confident90.4Very high109 Ų10962.2 Ų62.258%0.58334%0.343SS*.  trans-95.9150.5174.6-76.3-22.3000111.8Y110 E116Y110-D118 PolarHBondContact OH-O 2.83Å; E116-D118 PolarHBondContact O-N 3.01Å
119F89.5Confident90.5Very high22 Ų2264.2 Ų64.210%0.09635%0.349CS..  trans-127.690.8176.1-155.2-95.1000110F74 L123 L127 I159F74-F119 HydrophobicContact CB-CD2 3.83Å; F74-F119 HydrophobicContact CB-CE2 4.12Å; F74-F119 HydrophobicContact CD1-CB 4.49Å; F74-F119 AromaticContact CD1-CD2 3.5Å; F74-F119 HydrophobicContact CD1-CD2 3.5Å; F74-F119 VanDerWaalsContact CD1-CD2 3.5Å; F74-F119 AromaticContact CD1-CE2 3.93Å; F74-F119 HydrophobicContact CD1-CE2 3.93Å; F74-F119 HydrophobicContact CD1-CG 4.25Å; F74-F119 HydrophobicContact CD2-CB 4.06Å; F74-F119 AromaticContact CD2-CD2 3.86Å; F74-F119 HydrophobicContact CD2-CD2 3.86Å; F74-F119 HydrophobicContact CD2-CG 4.45Å; F74-F119 HydrophobicContact CE1-CB 4.18Å; F74-F119 AromaticContact CE1-CD2 3.94Å; F74-F119 HydrophobicContact CE1-CD2 3.94Å; F74-F119 HydrophobicContact CE1-CG 4.25Å; F74-F119 HydrophobicContact CE2-CB 3.69Å; F74-F119 HydrophobicContact CE2-CD2 4.24Å; F74-F119 HydrophobicContact CE2-CG 4.42Å; F74-F119 HydrophobicContact CG-CB 4.45Å; F74-F119 AromaticContact CG-CD2 3.46Å; F74-F119 HydrophobicContact CG-CD2 3.46Å; F74-F119 VanDerWaalsContact CG-CD2 3.46Å; F74-F119 HydrophobicContact CG-CE2 4.09Å; F74-F119 HydrophobicContact CG-CG 4.37Å; F74-F119 HydrophobicContact CZ-CB 3.76Å; F74-F119 HydrophobicContact CZ-CD2 4.29Å; F74-F119 HydrophobicContact CZ-CG 4.32Å; F119-L123 HydrophobicContact CD2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CD2 4.1Å; F119-L123 HydrophobicContact CZ-CD2 4.39Å; F119-L127 HydrophobicContact CE1-CD1 4.14Å; F119-L127 HydrophobicContact CE2-CD1 4.14Å; F119-L127 HydrophobicContact CZ-CD1 3.38Å; F119-I159 HydrophobicContact CE1-CG2 4.25Å
120P90.8Very high90.7Very high64 Ų6462.2 Ų62.242%0.41633%0.328SS..  trans-57.8144-174.9-26.234.8000112.9Y110 D122 L123 S124Y110-P120 HydrophobicContact CE2-CG 4.46Å; P120-D122 VanDerWaalsContact C-N 3.26Å; P120-D122 PolarHBondContact O-N 2.93Å; P120-L123 HydrophobicContact CB-CB 4.29Å; P120-L123 WeakPolarHBondContact O-CB 3.48Å; P120-L123 PolarHBondContact O-N 3.47Å; P120-S124 PolarHBondContact O-N 3.04Å
121E92.3Very high91Very high130 Ų13062.6 Ų62.661%0.60733%0.329SS*.Hα-helixtrans-60.7-35.4-179.8-167.8-175.5159.100112.5L123 S124 K125E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.11Å; E121-S124 PolarHBondContact O-N 3.47Å; E121-S124 PolarHBondContact O-OG 2.95Å; E121-K125 HydrophobicContact CG-CD 4.46Å; E121-K125 WeakPolarHBondContact O-CG 3.48Å; E121-K125 PolarHBondContact O-N 3.39Å; E121-K125 WeakPolarHBondContact OE1-CE 3.49Å; E121-K125 IonicContact OE1-NZ 3.54Å; E121-K125 PolarHBondContact OE1-NZ 3.22Å
122D93.2Very high91.2Very high116 Ų11666.4 Ų66.462%0.6235%0.35SS*.Hα-helixtrans-67.2-34.2176.8-68.2-19.4000111.9P120 L126P120-D122 VanDerWaalsContact C-N 3.26Å; P120-D122 PolarHBondContact O-N 2.93Å; D122-L126 WeakPolarHBondContact O-CB 2.97Å; D122-L126 PolarHBondContact O-N 2.77Å
123L94.4Very high91.6Very high3 Ų363.4 Ų63.42%0.01632%0.322CS..Hα-helixtrans-69.9-41.6174.6179.367.5000111.2V78 L107 Y110 F119 P120 E121 L126 L127V78-L123 HydrophobicContact CG2-CD2 4.16Å; L107-L123 HydrophobicContact CD2-CD1 3.7Å; Y110-L123 HydrophobicContact CD1-CD2 3.65Å; Y110-L123 HydrophobicContact CD2-CD2 3.46Å; Y110-L123 VanDerWaalsContact CD2-CD2 3.46Å; Y110-L123 HydrophobicContact CE1-CD2 3.69Å; Y110-L123 HydrophobicContact CE2-CD2 3.51Å; Y110-L123 HydrophobicContact CG-CD2 3.5Å; Y110-L123 VanDerWaalsContact CG-CD2 3.5Å; F119-L123 HydrophobicContact CD2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CD2 4.1Å; F119-L123 HydrophobicContact CZ-CD2 4.39Å; P120-L123 HydrophobicContact CB-CB 4.29Å; P120-L123 WeakPolarHBondContact O-CB 3.48Å; P120-L123 PolarHBondContact O-N 3.47Å; E121-L123 VanDerWaalsContact C-N 3.3Å; E121-L123 PolarHBondContact O-N 3.11Å; L123-L126 PolarHBondContact O-N 3.25Å; L123-L127 HydrophobicContact CD1-CD1 4.23Å; L123-L127 HydrophobicContact CD1-CG 4.3Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.24Å; L123-L127 PolarHBondContact O-N 2.86Å
124S95.4Very high92.1Very high11 Ų1163.6 Ų63.68%0.07732%0.323CS..Hα-helixtrans-63.1-45.6178.372.40000111.6P120 E121 L126 L127 L128 S163P120-S124 PolarHBondContact O-N 3.04Å; E121-S124 PolarHBondContact O-N 3.47Å; E121-S124 PolarHBondContact O-OG 2.95Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 2.78Å; S124-L127 PolarHBondContact O-N 2.97Å; S124-L128 WeakPolarHBondContact O-CB 3.38Å; S124-L128 WeakPolarHBondContact O-CG 3.1Å; S124-L128 PolarHBondContact O-N 2.8Å; S124-S163 VanDerWaalsContact CB-CB 3.46Å
125K96.2Very high92.7Very high109 Ų10962.9 Ų62.947%0.47432%0.319SS..Hα-helixtrans-58.5-43.6173.9-73.3171.9-176.3159.20112E121 L128 K129E121-K125 HydrophobicContact CG-CD 4.46Å; E121-K125 WeakPolarHBondContact O-CG 3.48Å; E121-K125 PolarHBondContact O-N 3.39Å; E121-K125 WeakPolarHBondContact OE1-CE 3.49Å; E121-K125 IonicContact OE1-NZ 3.54Å; E121-K125 PolarHBondContact OE1-NZ 3.22Å; K125-L128 PolarHBondContact O-N 3.4Å; K125-K129 WeakPolarHBondContact O-CB 3.44Å; K125-K129 PolarHBondContact O-N 3.14Å
126L96.8Very high93.6Very high13 Ų1354.2 Ų54.27%0.06828%0.279CS..Hα-helixtrans-61.1-51.3176.6171.156.9000111.6E103 H106 L107 D122 L123 S124 L128 K129 L130E103-L126 HydrophobicContact CG-CD1 4.36Å; E103-L126 WeakPolarHBondContact OE2-CD1 3.48Å; E103-L126 WeakPolarHBondContact OE2-CD2 3.44Å; H106-L126 HydrophobicContact CB-CD2 4.3Å; H106-L126 VanDerWaalsContact ND1-CD2 3.3Å; H106-L126 WeakPolarHBondContact ND1-CD2 3.46Å; L107-L126 HydrophobicContact CD2-CD2 3.98Å; L107-L126 HydrophobicContact CG-CD2 4.46Å; D122-L126 WeakPolarHBondContact O-CB 2.97Å; D122-L126 PolarHBondContact O-N 2.77Å; L123-L126 PolarHBondContact O-N 3.25Å; S124-L126 VanDerWaalsContact C-N 3.33Å; S124-L126 PolarHBondContact O-N 2.78Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 PolarHBondContact O-N 2.94Å; L126-K129 WeakPolarHBondContact O-CB 3.44Å; L126-K129 PolarHBondContact O-N 3.26Å; L126-L130 HydrophobicContact CD1-CD1 3.72Å; L126-L130 HydrophobicContact CD1-CD2 4.48Å; L126-L130 HydrophobicContact CD1-CG 3.81Å; L126-L130 HydrophobicContact CG-CD1 3.98Å; L126-L130 HydrophobicContact CG-CG 4.45Å; L126-L130 WeakPolarHBondContact O-CG 3.5Å; L126-L130 PolarHBondContact O-N 3.48Å
127L98.2Very high94.7Very high0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-62.4-37.7-179.1-70.6168.2000111.9T77 V78 M81 L107 F119 L123 S124 L130 W131 I159T77-L127 HydrophobicContact CG2-CD1 4.44Å; V78-L127 HydrophobicContact CG2-CD1 4.04Å; M81-L127 HydrophobicContact CB-CD2 3.73Å; M81-L127 HydrophobicContact CE-CD2 4.4Å; M81-L127 HydrophobicContact CG-CD2 3.82Å; L107-L127 HydrophobicContact CD2-CD2 3.81Å; L107-L127 HydrophobicContact CD2-CG 4.4Å; F119-L127 HydrophobicContact CE1-CD1 4.14Å; F119-L127 HydrophobicContact CE2-CD1 4.14Å; F119-L127 HydrophobicContact CZ-CD1 3.38Å; L123-L127 HydrophobicContact CD1-CD1 4.23Å; L123-L127 HydrophobicContact CD1-CG 4.3Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 HydrophobicContact CG-CG 4.45Å; L123-L127 WeakPolarHBondContact O-CG 3.24Å; L123-L127 PolarHBondContact O-N 2.86Å; S124-L127 PolarHBondContact O-N 2.97Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-W131 VanDerWaalsContact O-CB 3.24Å; L127-W131 WeakPolarHBondContact O-CB 3.42Å; L127-W131 PolarHBondContact O-N 3.17Å; L127-I159 HydrophobicContact CB-CD1 3.63Å; L127-I159 HydrophobicContact CB-CG1 4.32Å; L127-I159 HydrophobicContact CB-CG2 4.39Å
128L97.8Very high95.7Very high34 Ų3455.8 Ų55.818%0.17828%0.28CS..Hα-helixtrans-64.4-45.6174.8-78.6162.8000111.7S124 K125 L126 L130 W131 N132 I159 D160S124-L128 WeakPolarHBondContact O-CB 3.38Å; S124-L128 WeakPolarHBondContact O-CG 3.1Å; S124-L128 PolarHBondContact O-N 2.8Å; K125-L128 PolarHBondContact O-N 3.4Å; L126-L128 VanDerWaalsContact C-N 3.29Å; L126-L128 PolarHBondContact O-N 2.94Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 2.92Å; L128-W131 PolarHBondContact O-N 3.08Å; L128-N132 WeakPolarHBondContact O-CB 3.45Å; L128-N132 PolarHBondContact O-N 2.95Å; L128-N132 PolarHBondContact O-ND2 3.16Å; L128-I159 HydrophobicContact CD1-CG2 4.1Å; L128-I159 HydrophobicContact CD2-CB 3.78Å; L128-I159 HydrophobicContact CD2-CD1 4.16Å; L128-I159 HydrophobicContact CD2-CG2 4.17Å; L128-I159 HydrophobicContact CG-CB 3.86Å; L128-I159 HydrophobicContact CG-CD1 4.18Å; L128-I159 HydrophobicContact CG-CG2 3.67Å; L128-D160 WeakPolarHBondContact CD1-OD1 3.18Å
129K97.5Very high96.4Very high106 Ų10650.6 Ų50.646%0.46125%0.252SS..Hα-helixtrans-57.6-48.5175.3176.7-165.6167.8-160.80110.7E103 K125 L126 N133E103-K129 IonicContact OE1-NZ 3.02Å; E103-K129 PolarHBondContact OE1-NZ 3.48Å; K125-K129 WeakPolarHBondContact O-CB 3.44Å; K125-K129 PolarHBondContact O-N 3.14Å; L126-K129 WeakPolarHBondContact O-CB 3.44Å; L126-K129 PolarHBondContact O-N 3.26Å; K129-N133 PolarHBondContact O-N 3.27Å
130L98.4Very high96.8Very high0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-66.8-43.3179.4-69.3174.9000111.8M81 L85 F98 E103 L107 L126 L127 L128 N132 N133 V136M81-L130 HydrophobicContact CE-CB 3.64Å; M81-L130 HydrophobicContact CG-CD1 3.92Å; M81-L130 HydrophobicContact SD-CB 3.8Å; M81-L130 HydrophobicContact SD-CD1 4.1Å; L85-L130 HydrophobicContact CD1-CD1 4.2Å; F98-L130 HydrophobicContact CD1-CD2 4.13Å; F98-L130 HydrophobicContact CD2-CD2 3.85Å; F98-L130 HydrophobicContact CE1-CD2 4.25Å; F98-L130 HydrophobicContact CE2-CD2 3.97Å; F98-L130 HydrophobicContact CG-CD2 3.93Å; F98-L130 HydrophobicContact CZ-CD2 4.15Å; E103-L130 HydrophobicContact CB-CD1 4.4Å; E103-L130 HydrophobicContact CG-CD2 4.19Å; L107-L130 HydrophobicContact CD1-CD1 4.2Å; L126-L130 HydrophobicContact CD1-CD1 3.72Å; L126-L130 HydrophobicContact CD1-CD2 4.48Å; L126-L130 HydrophobicContact CD1-CG 3.81Å; L126-L130 HydrophobicContact CG-CD1 3.98Å; L126-L130 HydrophobicContact CG-CG 4.45Å; L126-L130 WeakPolarHBondContact O-CG 3.5Å; L126-L130 PolarHBondContact O-N 3.48Å; L127-L130 PolarHBondContact O-N 3.47Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 2.92Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 2.63Å; L130-N133 WeakPolarHBondContact O-CB 3.37Å; L130-N133 PolarHBondContact O-N 3.23Å; L130-N133 VanDerWaalsContact O-N 3.11Å; L130-V136 WeakPolarHBondContact O-CB 3.34Å; L130-V136 VanDerWaalsContact O-CG1 3.3Å; L130-V136 WeakPolarHBondContact O-CG1 3.24Å; L130-V136 VanDerWaalsContact O-CG2 3.3Å; L130-V136 WeakPolarHBondContact O-CG2 3.2Å
131W98.2Very high97.1Very high30 Ų3053 Ų5311%0.11427%0.271CS..Hα-helixtrans-65.9-36.1-178.5-175.8-119.4000112.4M81 I84 L127 L128 N133 V136 Q137 F140 L156 I159M81-W131 HydrophobicContact CE-CB 4.12Å; M81-W131 HydrophobicContact CE-CE3 4.38Å; I84-W131 HydrophobicContact CD1-CZ3 4.06Å; L127-W131 VanDerWaalsContact O-CB 3.24Å; L127-W131 WeakPolarHBondContact O-CB 3.42Å; L127-W131 PolarHBondContact O-N 3.17Å; L128-W131 PolarHBondContact O-N 3.08Å; W131-N133 PolarHBondContact O-N 2.84Å; W131-V136 HydrophobicContact CE3-CG1 4.36Å; W131-Q137 VanDerWaalsContact CD2-NE2 3.25Å; W131-Q137 VanDerWaalsContact CE2-NE2 3.29Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.32Å; W131-Q137 WeakPolarHBondContact O-CG 3.39Å; W131-Q137 PolarHBondContact O-NE2 3.19Å; W131-F140 HydrophobicContact CH2-CB 4.32Å; W131-F140 AromaticContact CH2-CD1 3.63Å; W131-F140 HydrophobicContact CH2-CD1 3.63Å; W131-F140 AromaticContact CH2-CD2 3.72Å; W131-F140 HydrophobicContact CH2-CD2 3.72Å; W131-F140 AromaticContact CH2-CE1 3.78Å; W131-F140 HydrophobicContact CH2-CE1 3.78Å; W131-F140 AromaticContact CH2-CE2 3.87Å; W131-F140 HydrophobicContact CH2-CE2 3.87Å; W131-F140 AromaticContact CH2-CG 3.6Å; W131-F140 HydrophobicContact CH2-CG 3.6Å; W131-F140 AromaticContact CH2-CZ 3.9Å; W131-F140 HydrophobicContact CH2-CZ 3.9Å; W131-F140 HydrophobicContact CZ2-CE1 4.49Å; W131-F140 HydrophobicContact CZ3-CB 4.13Å; W131-F140 HydrophobicContact CZ3-CD1 4.28Å; W131-F140 AromaticContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CE2 4.38Å; W131-F140 AromaticContact CZ3-CG 3.82Å; W131-F140 HydrophobicContact CZ3-CG 3.82Å; W131-L156 HydrophobicContact CD2-CB 3.49Å; W131-L156 VanDerWaalsContact CD2-CB 3.49Å; W131-L156 HydrophobicContact CD2-CD1 4.33Å; W131-L156 HydrophobicContact CD2-CG 4.46Å; W131-L156 HydrophobicContact CE3-CB 3.68Å; W131-L156 HydrophobicContact CE3-CD1 3.61Å; W131-L156 HydrophobicContact CE3-CG 4.2Å; W131-L156 HydrophobicContact CG-CB 3.92Å; W131-L156 HydrophobicContact CH2-CB 4.24Å; W131-L156 HydrophobicContact CH2-CD1 4.27Å; W131-L156 HydrophobicContact CZ2-CB 4.1Å; W131-L156 HydrophobicContact CZ3-CB 4.06Å; W131-L156 HydrophobicContact CZ3-CD1 3.58Å; W131-L156 HydrophobicContact CZ3-CG 4.46Å; W131-L156 PolarHBondContact NE1-O 2.9Å; W131-I159 HydrophobicContact CB-CD1 4.17Å
132N97.8Very high97.3Very high122 Ų12250.9 Ų50.965%0.65226%0.258SS*.THydrogen-bonded Turntrans-79.3-0.3176.1-68.9-44.2000113.8L128 L130L128-N132 WeakPolarHBondContact O-CB 3.45Å; L128-N132 PolarHBondContact O-N 2.95Å; L128-N132 PolarHBondContact O-ND2 3.16Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 2.63Å
133N98.2Very high97.5Very high24 Ų2447.4 Ų47.413%0.12824%0.243CC..  trans-79.3143.1-178.2174.7-83.9000112.5D96 F98 K129 L130 W131 S135 V136 Q137D96-N133 PolarHBondContact O-ND2 2.95Å; D96-N133 PolarHBondContact OD1-ND2 3.11Å; D96-N133 PolarHBondContact OD1-OD1 2.89Å; F98-N133 HydrophobicContact CE1-CB 4.45Å; K129-N133 PolarHBondContact O-N 3.27Å; L130-N133 WeakPolarHBondContact O-CB 3.37Å; L130-N133 PolarHBondContact O-N 3.23Å; L130-N133 VanDerWaalsContact O-N 3.11Å; W131-N133 PolarHBondContact O-N 2.84Å; N133-S135 PolarHBondContact OD1-N 3.08Å; N133-S135 PolarHBondContact OD1-OG 3.02Å; N133-V136 HydrophobicContact CB-CB 4.2Å; N133-V136 HydrophobicContact CB-CG2 4.03Å; N133-V136 PolarHBondContact O-N 3.19Å; N133-V136 PolarHBondContact OD1-N 2.92Å; N133-V136 VanDerWaalsContact OD1-N 3.08Å; N133-Q137 WeakPolarHBondContact O-CG 3.2Å; N133-Q137 PolarHBondContact O-N 2.89Å
134T98.2Very high97.4Very high78 Ų7851.3 Ų51.348%0.47926%0.26SS..Hα-helixtrans-67.6-44.8-175.5-54.10000112.8D96 V136 Q137 K138D96-T134 WeakPolarHBondContact OD2-CB 3.46Å; T134-V136 VanDerWaalsContact C-N 3.35Å; T134-Q137 PolarHBondContact O-N 2.82Å; T134-K138 HydrophobicContact CG2-CD 4.25Å; T134-K138 WeakPolarHBondContact O-CB 3.28Å; T134-K138 VanDerWaalsContact O-CG 3.29Å; T134-K138 WeakPolarHBondContact O-CG 3.22Å; T134-K138 PolarHBondContact O-N 3.25Å
135S98.2Very high97.5Very high3 Ų355.4 Ų55.42%0.02128%0.277CS..Hα-helixtrans-65.1-38.4177.862.30000112.1M88 T94 D96 N133 K138 C139M88-S135 WeakPolarHBondContact CE-OG 3.23Å; T94-S135 VanDerWaalsContact O-CB 3.31Å; T94-S135 WeakPolarHBondContact O-CB 3.49Å; D96-S135 PolarHBondContact N-OG 3.1Å; D96-S135 WeakPolarHBondContact OD1-CB 3.28Å; D96-S135 PolarHBondContact OD1-N 3.12Å; D96-S135 VanDerWaalsContact OD1-N 3.1Å; D96-S135 PolarHBondContact OD1-OG 3.44Å; N133-S135 PolarHBondContact OD1-N 3.08Å; N133-S135 PolarHBondContact OD1-OG 3.02Å; S135-K138 PolarHBondContact O-N 3.04Å; S135-C139 PolarHBondContact O-N 2.75Å
136V98.5Very high97.5Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-62.8-47.3174176.40000111.2M81 I84 L85 M88 F98 L130 W131 N133 T134 K138 C139 F140M81-V136 HydrophobicContact CE-CG1 4.36Å; M81-V136 HydrophobicContact SD-CG1 4.11Å; I84-V136 HydrophobicContact CG2-CG1 3.89Å; L85-V136 HydrophobicContact CD2-CG2 4.04Å; M88-V136 HydrophobicContact SD-CG2 4.11Å; F98-V136 HydrophobicContact CE1-CG2 4.1Å; F98-V136 HydrophobicContact CZ-CG2 3.93Å; L130-V136 WeakPolarHBondContact O-CB 3.34Å; L130-V136 VanDerWaalsContact O-CG1 3.3Å; L130-V136 WeakPolarHBondContact O-CG1 3.24Å; L130-V136 VanDerWaalsContact O-CG2 3.3Å; L130-V136 WeakPolarHBondContact O-CG2 3.2Å; W131-V136 HydrophobicContact CE3-CG1 4.36Å; N133-V136 HydrophobicContact CB-CB 4.2Å; N133-V136 HydrophobicContact CB-CG2 4.03Å; N133-V136 PolarHBondContact O-N 3.19Å; N133-V136 PolarHBondContact OD1-N 2.92Å; N133-V136 VanDerWaalsContact OD1-N 3.08Å; T134-V136 VanDerWaalsContact C-N 3.35Å; V136-K138 PolarHBondContact O-N 3.05Å; V136-C139 WeakPolarHBondContact O-CB 3.46Å; V136-C139 PolarHBondContact O-N 3.27Å; V136-F140 PolarHBondContact O-N 3.28Å
137Q98.3Very high97.5Very high69 Ų6952.9 Ų52.932%0.32227%0.266SS..Hα-helixtrans-63.6-38.4176.9-74.3-60.8-43.100112.7W131 N133 T134 C139 F140 A141W131-Q137 VanDerWaalsContact CD2-NE2 3.25Å; W131-Q137 VanDerWaalsContact CE2-NE2 3.29Å; W131-Q137 VanDerWaalsContact CE3-NE2 3.32Å; W131-Q137 WeakPolarHBondContact O-CG 3.39Å; W131-Q137 PolarHBondContact O-NE2 3.19Å; N133-Q137 WeakPolarHBondContact O-CG 3.2Å; N133-Q137 PolarHBondContact O-N 2.89Å; T134-Q137 PolarHBondContact O-N 2.82Å; Q137-C139 VanDerWaalsContact C-N 3.32Å; Q137-C139 PolarHBondContact O-N 3.35Å; Q137-F140 PolarHBondContact O-N 2.89Å; Q137-A141 PolarHBondContact O-N 3.29Å
138K98Very high97.4Very high129 Ų12953.8 Ų53.856%0.56127%0.271SS*.Hα-helixtrans-60.6-41.1172.6-76.8172.7179171.90111.9T134 S135 V136T134-K138 HydrophobicContact CG2-CD 4.25Å; T134-K138 WeakPolarHBondContact O-CB 3.28Å; T134-K138 VanDerWaalsContact O-CG 3.29Å; T134-K138 WeakPolarHBondContact O-CG 3.22Å; T134-K138 PolarHBondContact O-N 3.25Å; S135-K138 PolarHBondContact O-N 3.04Å; V136-K138 PolarHBondContact O-N 3.05Å
139C98.4Very high97.2Very high0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-68.8-40.8176-169.10000112.2I84 M88 I93 S135 V136 Q137 A141 R142 Y146I84-C139 HydrophobicContact CG2-CB 3.89Å; I84-C139 PolarHBondContact O-SG 3.04Å; I84-C139 VanDerWaalsContact O-SG 3.35Å; M88-C139 HydrophobicContact CG-CB 3.57Å; I93-C139 HydrophobicContact CD1-CB 3.76Å; S135-C139 PolarHBondContact O-N 2.75Å; V136-C139 WeakPolarHBondContact O-CB 3.46Å; V136-C139 PolarHBondContact O-N 3.27Å; Q137-C139 VanDerWaalsContact C-N 3.32Å; Q137-C139 PolarHBondContact O-N 3.35Å; C139-A141 VanDerWaalsContact C-N 3.32Å; C139-A141 PolarHBondContact O-N 3.09Å; C139-R142 CarbonylContact O-C 3.6Å; C139-R142 PolarHBondContact O-N 3.35Å; C139-Y146 WeakPolarHBondContact O-CE1 3.01Å; C139-Y146 PolarHBondContact O-OH 2.84Å
140F98.1Very high97.1Very high52 Ų5251.1 Ų51.123%0.22826%0.262CS..Hα-helixtrans-61.3-38.8176-179.5-105.7000112.4I84 W131 V136 Q137 R142 S143 L148 A152I84-F140 HydrophobicContact CD1-CD2 4.05Å; W131-F140 HydrophobicContact CH2-CB 4.32Å; W131-F140 AromaticContact CH2-CD1 3.63Å; W131-F140 HydrophobicContact CH2-CD1 3.63Å; W131-F140 AromaticContact CH2-CD2 3.72Å; W131-F140 HydrophobicContact CH2-CD2 3.72Å; W131-F140 AromaticContact CH2-CE1 3.78Å; W131-F140 HydrophobicContact CH2-CE1 3.78Å; W131-F140 AromaticContact CH2-CE2 3.87Å; W131-F140 HydrophobicContact CH2-CE2 3.87Å; W131-F140 AromaticContact CH2-CG 3.6Å; W131-F140 HydrophobicContact CH2-CG 3.6Å; W131-F140 AromaticContact CH2-CZ 3.9Å; W131-F140 HydrophobicContact CH2-CZ 3.9Å; W131-F140 HydrophobicContact CZ2-CE1 4.49Å; W131-F140 HydrophobicContact CZ3-CB 4.13Å; W131-F140 HydrophobicContact CZ3-CD1 4.28Å; W131-F140 AromaticContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CD2 3.87Å; W131-F140 HydrophobicContact CZ3-CE2 4.38Å; W131-F140 AromaticContact CZ3-CG 3.82Å; W131-F140 HydrophobicContact CZ3-CG 3.82Å; V136-F140 PolarHBondContact O-N 3.28Å; Q137-F140 PolarHBondContact O-N 2.89Å; F140-R142 PolarHBondContact O-N 3.48Å; F140-R142 VanDerWaalsContact O-N 3.13Å; F140-S143 WeakPolarHBondContact O-CB 3.35Å; F140-S143 PolarHBondContact O-N 3.47Å; F140-S143 PolarHBondContact O-OG 2.91Å; F140-L148 HydrophobicContact CD2-CD2 3.54Å; F140-L148 HydrophobicContact CE2-CD2 3.6Å; F140-A152 HydrophobicContact CE2-CB 4.25Å
141A96.7Very high97Very high84 Ų8451.7 Ų51.769%0.69427%0.266SS*.THydrogen-bonded Turntrans-62.3-18.5175.200000113.8Q137 C139Q137-A141 PolarHBondContact O-N 3.29Å; C139-A141 VanDerWaalsContact C-N 3.32Å; C139-A141 PolarHBondContact O-N 3.09Å
142R96.8Very high97Very high85 Ų8550.2 Ų50.232%0.32126%0.26SS..THydrogen-bonded Turntrans-101.520.5176-66.7176.169-172.1-0.5112.6L91 C139 F140 K144 E145 Y146L91-R142 HydrophobicContact CD1-CB 3.92Å; L91-R142 PolarHBondContact O-NH1 3.27Å; C139-R142 CarbonylContact O-C 3.6Å; C139-R142 PolarHBondContact O-N 3.35Å; F140-R142 PolarHBondContact O-N 3.48Å; F140-R142 VanDerWaalsContact O-N 3.13Å; R142-K144 PolarHBondContact O-N 3.02Å; R142-E145 WeakPolarHBondContact CB-OE1 3.42Å; R142-E145 WeakPolarHBondContact CG-OE1 3.27Å; R142-E145 IonicContact CZ-OE1 3.63Å; R142-E145 IonicContact CZ-OE2 3.49Å; R142-E145 IonicContact NE-OE1 2.79Å; R142-E145 PolarHBondContact NE-OE1 2.8Å; R142-E145 IonicContact NE-OE2 3.43Å; R142-E145 PolarHBondContact NE-OE2 3.21Å; R142-E145 IonicContact NH2-OE1 3.59Å; R142-E145 IonicContact NH2-OE2 2.74Å; R142-E145 PolarHBondContact NH2-OE2 3.37Å; R142-E145 WeakPolarHBondContact O-CB 3.42Å; R142-E145 PolarHBondContact O-N 3.36Å; R142-Y146 WeakPolarHBondContact O-CE1 3.39Å
143S96.5Very high96.9Very high43 Ų4345.6 Ų45.630%0.30124%0.241SC..G310 helixtrans-58-16-175.760.70000115.6F140 E145 Y146F140-S143 WeakPolarHBondContact O-CB 3.35Å; F140-S143 PolarHBondContact O-N 3.47Å; F140-S143 PolarHBondContact O-OG 2.91Å; S143-E145 PolarHBondContact O-N 3.01Å; S143-Y146 VanDerWaalsContact CA-CE1 3.49Å
144K94.3Very high96.9Very high86 Ų8647 Ų4737%0.37425%0.245SC..G310 helixtrans-70.1-18.217170.2177.4-178.4178.80114.5R142 D231 L232 S281R142-K144 PolarHBondContact O-N 3.02Å; K144-D231 WeakPolarHBondContact CD-OD2 3.5Å; K144-L232 HydrophobicContact CB-CD2 3.77Å; K144-S281 PolarHBondContact NZ-OG 2.91Å
145E95.6Very high97Very high96 Ų9643.3 Ų43.345%0.44922%0.222SC..G310 helixtrans-87.3-6.9-176.5-61.5176.5-123.300112.6L91 R142 S143L91-E145 HydrophobicContact CD1-CB 4.49Å; L91-E145 HydrophobicContact CD2-CB 3.89Å; L91-E145 WeakPolarHBondContact CD2-OE2 3.37Å; R142-E145 WeakPolarHBondContact CB-OE1 3.42Å; R142-E145 WeakPolarHBondContact CG-OE1 3.27Å; R142-E145 IonicContact CZ-OE1 3.63Å; R142-E145 IonicContact CZ-OE2 3.49Å; R142-E145 IonicContact NE-OE1 2.79Å; R142-E145 PolarHBondContact NE-OE1 2.8Å; R142-E145 IonicContact NE-OE2 3.43Å; R142-E145 PolarHBondContact NE-OE2 3.21Å; R142-E145 IonicContact NH2-OE1 3.59Å; R142-E145 IonicContact NH2-OE2 2.74Å; R142-E145 PolarHBondContact NH2-OE2 3.37Å; R142-E145 WeakPolarHBondContact O-CB 3.42Å; R142-E145 PolarHBondContact O-N 3.36Å; S143-E145 PolarHBondContact O-N 3.01Å
146Y96.8Very high97Very high26 Ų2643.2 Ų43.210%0.10222%0.221CC..THydrogen-bonded Turntrans-147.7174.8178.361-83.4000111.5I84 A87 L91 C139 R142 S143 L148I84-Y146 HydrophobicContact CG1-CE2 4.36Å; A87-Y146 HydrophobicContact CB-CD1 3.51Å; A87-Y146 HydrophobicContact CB-CD2 3.59Å; A87-Y146 HydrophobicContact CB-CE1 3.67Å; A87-Y146 HydrophobicContact CB-CE2 3.76Å; A87-Y146 HydrophobicContact CB-CG 3.46Å; A87-Y146 VanDerWaalsContact CB-CG 3.46Å; L91-Y146 HydrophobicContact CD1-CD1 3.95Å; L91-Y146 HydrophobicContact CD1-CE1 4Å; C139-Y146 WeakPolarHBondContact O-CE1 3.01Å; C139-Y146 PolarHBondContact O-OH 2.84Å; R142-Y146 WeakPolarHBondContact O-CE1 3.39Å; S143-Y146 VanDerWaalsContact CA-CE1 3.49Å; Y146-L148 HydrophobicContact CD2-CB 4.12Å; Y146-L148 HydrophobicContact CE2-CB 3.73Å; Y146-L148 HydrophobicContact CE2-CD1 4.31Å; Y146-L148 HydrophobicContact CE2-CD2 4.11Å; Y146-L148 HydrophobicContact CE2-CG 4.26Å; Y146-L148 PolarHBondContact O-N 3.02Å
147Q96.1Very high96.9Very high43 Ų4345.7 Ų45.720%0.20125%0.247CC..THydrogen-bonded Turntrans-89.281-172.5-59.6-63.6-32.800112.4K83 K233 A235K83-Q147 VanDerWaalsContact CD-O 3.3Å; K83-Q147 WeakPolarHBondContact CD-O 3.28Å; K83-Q147 WeakPolarHBondContact CE-O 3.24Å; K83-Q147 PolarHBondContact NZ-O 3.12Å; Q147-K233 PolarHBondContact NE2-O 3.43Å; Q147-A235 HydrophobicContact CG-CB 4.25Å
148L97.2Very high96.9Very high19 Ų1943.7 Ų43.710%0.09924%0.241CC..  trans-103.8143175-166.961.6000112K83 I84 F140 Y146 A152K83-L148 HydrophobicContact CB-CD1 4.09Å; K83-L148 HydrophobicContact CD-CD1 4.33Å; I84-L148 HydrophobicContact CD1-CD1 4.44Å; I84-L148 HydrophobicContact CD1-CD2 4.25Å; I84-L148 HydrophobicContact CG1-CD1 4.02Å; I84-L148 HydrophobicContact CG1-CD2 4Å; F140-L148 HydrophobicContact CD2-CD2 3.54Å; F140-L148 HydrophobicContact CE2-CD2 3.6Å; Y146-L148 HydrophobicContact CD2-CB 4.12Å; Y146-L148 HydrophobicContact CE2-CB 3.73Å; Y146-L148 HydrophobicContact CE2-CD1 4.31Å; Y146-L148 HydrophobicContact CE2-CD2 4.11Å; Y146-L148 HydrophobicContact CE2-CG 4.26Å; Y146-L148 PolarHBondContact O-N 3.02Å; L148-A152 HydrophobicContact CD1-CB 3.81Å; L148-A152 HydrophobicContact CD2-CB 3.89Å; L148-A152 HydrophobicContact CG-CB 3.75Å
149N94.1Very high96.9Very high20 Ų2037.6 Ų37.611%0.10722%0.215CC..  trans-77.7141.4177-63.1-9.2000110.1K83 S151 A152K83-N149 PolarHBondContact NZ-OD1 3.3Å; N149-S151 PolarHBondContact O-N 2.75Å; N149-S151 VanDerWaalsContact O-N 3.08Å; N149-A152 WeakPolarHBondContact O-CB 3.36Å; N149-A152 PolarHBondContact O-N 2.73Å
150D94Very high96.8Very high65 Ų6543.1 Ų43.135%0.34824%0.244SC..THydrogen-bonded Turntrans-57.1-27.6178.1-62.1-33.2000113.5A152 K270 L273D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 3.15Å; D150-K270 WeakPolarHBondContact OD2-CD 3.46Å; D150-K270 WeakPolarHBondContact OD2-CE 2.99Å; D150-K270 IonicContact OD2-NZ 3.39Å; D150-K270 PolarHBondContact OD2-NZ 3.35Å; D150-L273 HydrophobicContact CB-CD1 3.67Å
151S96.4Very high96.7Very high11 Ų1144.6 Ų44.68%0.07725%0.248CC..THydrogen-bonded Turntrans-78-5.1178.455.50000114.6N149 G153 Y154 Y155 R176N149-S151 PolarHBondContact O-N 2.75Å; N149-S151 VanDerWaalsContact O-N 3.08Å; S151-G153 PolarHBondContact O-N 3.35Å; S151-Y154 WeakPolarHBondContact O-CB 3.4Å; S151-Y154 PolarHBondContact O-N 2.66Å; S151-Y155 WeakPolarHBondContact O-CD2 3.2Å; S151-Y155 PolarHBondContact O-N 3.2Å; S151-Y155 VanDerWaalsContact O-N 3.12Å; S151-R176 VanDerWaalsContact CB-O 3.3Å; S151-R176 WeakPolarHBondContact CB-O 3.49Å; S151-R176 PolarHBondContact OG-O 3.05Å
152A98.1Very high96.7Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-55.1-52.5-179.100000112.1F140 L148 N149 D150 Y154 Y155 L156F140-A152 HydrophobicContact CE2-CB 4.25Å; L148-A152 HydrophobicContact CD1-CB 3.81Å; L148-A152 HydrophobicContact CD2-CB 3.89Å; L148-A152 HydrophobicContact CG-CB 3.75Å; N149-A152 WeakPolarHBondContact O-CB 3.36Å; N149-A152 PolarHBondContact O-N 2.73Å; D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 3.15Å; A152-Y154 VanDerWaalsContact C-N 3.3Å; A152-Y154 PolarHBondContact O-N 3.06Å; A152-Y155 PolarHBondContact O-N 3.14Å; A152-L156 HydrophobicContact CB-CD1 4.44Å; A152-L156 VanDerWaalsContact O-CB 3.26Å; A152-L156 WeakPolarHBondContact O-CB 3.38Å; A152-L156 VanDerWaalsContact O-CG 3.25Å; A152-L156 WeakPolarHBondContact O-CG 3.5Å; A152-L156 PolarHBondContact O-N 3.47Å
153G97.4Very high96.6Very high24 Ų2437.7 Ų37.725%0.24721%0.208CC..Hα-helixtrans-63.4-34.1-179.700000113.4S151 G157S151-G153 PolarHBondContact O-N 3.35Å; G153-G157 PolarHBondContact O-N 3.38Å
154Y98.1Very high96.6Very high54 Ų5437.1 Ų37.121%0.21221%0.206CC..Hα-helixtrans-64.7-49177.4171.9-100.3000112S151 A152 S158 R161 Q172 D173 R176S151-Y154 WeakPolarHBondContact O-CB 3.4Å; S151-Y154 PolarHBondContact O-N 2.66Å; A152-Y154 VanDerWaalsContact C-N 3.3Å; A152-Y154 PolarHBondContact O-N 3.06Å; Y154-S158 VanDerWaalsContact O-CB 3.31Å; Y154-S158 WeakPolarHBondContact O-CB 3.35Å; Y154-S158 PolarHBondContact O-N 3.36Å; Y154-S158 PolarHBondContact O-OG 2.66Å; Y154-R161 PolarHBondContact OH-NH2 2.95Å; Y154-Q172 HydrophobicContact CE2-CG 4.11Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.4Å; Y154-D173 PolarHBondContact OH-OD1 2.73Å; Y154-D173 VanDerWaalsContact OH-OD1 3.06Å; Y154-R176 HydrophobicContact CD1-CB 4.21Å; Y154-R176 VanDerWaalsContact CD1-CD 3.4Å; Y154-R176 HydrophobicContact CD1-CG 4.42Å; Y154-R176 HydrophobicContact CE1-CB 4.35Å; Y154-R176 VanDerWaalsContact CG-CD 3.44Å
155Y98.4Very high96.4Very high0 Ų039.5 Ų39.50%023%0.23CC..Hα-helixtrans-75.9-43.6-178.2-69.4-56.2000112.9I73 T77 S151 A152 G157 S158 I159 D173 R176 S177I73-Y155 HydrophobicContact CB-CE1 4.44Å; I73-Y155 HydrophobicContact CG1-CE1 4.26Å; I73-Y155 HydrophobicContact CG2-CD1 3.8Å; I73-Y155 HydrophobicContact CG2-CE1 3.52Å; T77-Y155 WeakPolarHBondContact OG1-CB 3.17Å; S151-Y155 WeakPolarHBondContact O-CD2 3.2Å; S151-Y155 PolarHBondContact O-N 3.2Å; S151-Y155 VanDerWaalsContact O-N 3.12Å; A152-Y155 PolarHBondContact O-N 3.14Å; Y155-G157 VanDerWaalsContact C-N 3.26Å; Y155-G157 PolarHBondContact O-N 3.04Å; Y155-S158 CarbonylContact O-C 3.56Å; Y155-S158 WeakPolarHBondContact O-CA 3.34Å; Y155-S158 PolarHBondContact O-N 2.86Å; Y155-I159 PolarHBondContact O-N 3.48Å; Y155-D173 HydrophobicContact CE1-CB 4.37Å; Y155-D173 PolarHBondContact OH-O 2.96Å; Y155-R176 HydrophobicContact CE2-CB 4.34Å; Y155-R176 VanDerWaalsContact OH-C 3.24Å; Y155-S177 WeakPolarHBondContact OH-CA 3.46Å; Y155-S177 PolarHBondContact OH-N 2.76Å
156L98.4Very high96.3Very high1 Ų141.5 Ų41.51%0.00524%0.244CC..Hα-helixtrans-65.6-31.7178-65.5172.3000111.6T77 M81 I84 W131 A152 S158 I159T77-L156 HydrophobicContact CG2-CD2 3.8Å; M81-L156 HydrophobicContact CB-CD2 4.3Å; M81-L156 HydrophobicContact CE-CD1 4.35Å; M81-L156 HydrophobicContact CE-CD2 3.88Å; I84-L156 HydrophobicContact CD1-CD1 3.65Å; W131-L156 HydrophobicContact CD2-CB 3.49Å; W131-L156 VanDerWaalsContact CD2-CB 3.49Å; W131-L156 HydrophobicContact CD2-CD1 4.33Å; W131-L156 HydrophobicContact CD2-CG 4.46Å; W131-L156 HydrophobicContact CE3-CB 3.68Å; W131-L156 HydrophobicContact CE3-CD1 3.61Å; W131-L156 HydrophobicContact CE3-CG 4.2Å; W131-L156 HydrophobicContact CG-CB 3.92Å; W131-L156 HydrophobicContact CH2-CB 4.24Å; W131-L156 HydrophobicContact CH2-CD1 4.27Å; W131-L156 HydrophobicContact CZ2-CB 4.1Å; W131-L156 HydrophobicContact CZ3-CB 4.06Å; W131-L156 HydrophobicContact CZ3-CD1 3.58Å; W131-L156 HydrophobicContact CZ3-CG 4.46Å; W131-L156 PolarHBondContact NE1-O 2.9Å; A152-L156 HydrophobicContact CB-CD1 4.44Å; A152-L156 VanDerWaalsContact O-CB 3.26Å; A152-L156 WeakPolarHBondContact O-CB 3.38Å; A152-L156 VanDerWaalsContact O-CG 3.25Å; A152-L156 WeakPolarHBondContact O-CG 3.5Å; A152-L156 PolarHBondContact O-N 3.47Å; L156-S158 PolarHBondContact O-N 2.81Å; L156-I159 HydrophobicContact CD2-CD1 4.41Å; L156-I159 WeakPolarHBondContact O-CD1 3.31Å; L156-I159 VanDerWaalsContact O-CG1 3.28Å; L156-I159 WeakPolarHBondContact O-CG1 3.32Å
157G97.9Very high96.3Very high53 Ų5340.8 Ų40.855%0.54624%0.241SC..THydrogen-bonded Turntrans-76-5.3170.100000115G153 Y155G153-G157 PolarHBondContact O-N 3.38Å; Y155-G157 VanDerWaalsContact C-N 3.26Å; Y155-G157 PolarHBondContact O-N 3.04Å
158S97.9Very high96.2Very high27 Ų2741 Ų4119%0.18924%0.243CC..THydrogen-bonded Turntrans-121.220.5-177-59.30000113.1Y154 Y155 L156 D160 R161 I162Y154-S158 VanDerWaalsContact O-CB 3.31Å; Y154-S158 WeakPolarHBondContact O-CB 3.35Å; Y154-S158 PolarHBondContact O-N 3.36Å; Y154-S158 PolarHBondContact O-OG 2.66Å; Y155-S158 CarbonylContact O-C 3.56Å; Y155-S158 WeakPolarHBondContact O-CA 3.34Å; Y155-S158 PolarHBondContact O-N 2.86Å; L156-S158 PolarHBondContact O-N 2.81Å; S158-D160 VanDerWaalsContact C-N 3.32Å; S158-D160 PolarHBondContact O-N 2.82Å; S158-R161 WeakPolarHBondContact O-CB 3.38Å; S158-R161 PolarHBondContact O-N 2.99Å; S158-I162 PolarHBondContact O-N 3.03Å
159I97.9Very high96.3Very high1 Ų140 Ų401%0.00524%0.238CC..Hα-helixtrans-56.1-44.8-172.4-65.3157.6000111.6F119 L127 L128 W131 Y155 L156 R161 I162 S163F119-I159 HydrophobicContact CE1-CG2 4.25Å; L127-I159 HydrophobicContact CB-CD1 3.63Å; L127-I159 HydrophobicContact CB-CG1 4.32Å; L127-I159 HydrophobicContact CB-CG2 4.39Å; L128-I159 HydrophobicContact CD1-CG2 4.1Å; L128-I159 HydrophobicContact CD2-CB 3.78Å; L128-I159 HydrophobicContact CD2-CD1 4.16Å; L128-I159 HydrophobicContact CD2-CG2 4.17Å; L128-I159 HydrophobicContact CG-CB 3.86Å; L128-I159 HydrophobicContact CG-CD1 4.18Å; L128-I159 HydrophobicContact CG-CG2 3.67Å; W131-I159 HydrophobicContact CB-CD1 4.17Å; Y155-I159 PolarHBondContact O-N 3.48Å; L156-I159 HydrophobicContact CD2-CD1 4.41Å; L156-I159 WeakPolarHBondContact O-CD1 3.31Å; L156-I159 VanDerWaalsContact O-CG1 3.28Å; L156-I159 WeakPolarHBondContact O-CG1 3.32Å; I159-R161 VanDerWaalsContact C-N 3.26Å; I159-R161 PolarHBondContact O-N 2.9Å; I159-I162 PolarHBondContact O-N 2.74Å; I159-S163 WeakPolarHBondContact O-CB 3.36Å; I159-S163 PolarHBondContact O-N 3.29Å; I159-S163 PolarHBondContact O-OG 3.19Å
160D96.1Very high96.4Very high115 Ų11541.7 Ų41.762%0.61525%0.249SC*.Hα-helixtrans-56.2-40.7177.9-65.6-53.3000112.3L128 S158 S163 A164L128-D160 WeakPolarHBondContact CD1-OD1 3.18Å; S158-D160 VanDerWaalsContact C-N 3.32Å; S158-D160 PolarHBondContact O-N 2.82Å; D160-S163 PolarHBondContact O-OG 2.77Å; D160-A164 PolarHBondContact O-N 3.45Å
161R97.1Very high96.5Very high83 Ų8341.8 Ų41.831%0.31325%0.247SC..Hα-helixtrans-71.9-45.3-179.6-179-178.462.482.7-0.1112.1Y154 S158 I159 S163 Y167 D173Y154-R161 PolarHBondContact OH-NH2 2.95Å; S158-R161 WeakPolarHBondContact O-CB 3.38Å; S158-R161 PolarHBondContact O-N 2.99Å; I159-R161 VanDerWaalsContact C-N 3.26Å; I159-R161 PolarHBondContact O-N 2.9Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-Y167 WeakPolarHBondContact O-CD2 3.27Å; R161-D173 IonicContact CZ-OD1 2.9Å; R161-D173 IonicContact CZ-OD2 3.57Å; R161-D173 VanDerWaalsContact NH1-CG 3.34Å; R161-D173 IonicContact NH1-OD1 2.82Å; R161-D173 PolarHBondContact NH1-OD1 2.93Å; R161-D173 VanDerWaalsContact NH1-OD1 3.15Å; R161-D173 IonicContact NH1-OD2 3.05Å; R161-D173 PolarHBondContact NH1-OD2 3.36Å; R161-D173 IonicContact NH2-OD1 3.63Å; R161-D173 PolarHBondContact NH2-OD1 3.47Å; R161-D173 IonicContact NH2-OD2 3.47Å
162I96.1Very high96.5Very high0 Ų043.8 Ų43.80%026%0.256CS..Hα-helixtrans-79.2-18.8-175.569.5177.4000112.5I73 F74 T77 S158 I159 Y167I73-I162 HydrophobicContact CG2-CD1 4.5Å; F74-I162 HydrophobicContact CE1-CB 4.34Å; F74-I162 WeakPolarHBondContact CE1-O 3.48Å; F74-I162 WeakPolarHBondContact CZ-O 3.26Å; T77-I162 HydrophobicContact CG2-CD1 4.01Å; S158-I162 PolarHBondContact O-N 3.03Å; I159-I162 PolarHBondContact O-N 2.74Å; I162-Y167 HydrophobicContact CB-CD1 4.33Å; I162-Y167 HydrophobicContact CB-CE1 3.96Å; I162-Y167 HydrophobicContact CB-CE2 4.27Å; I162-Y167 HydrophobicContact CG2-CE1 4.3Å; I162-Y167 HydrophobicContact CG2-CE2 3.97Å; I162-Y167 WeakPolarHBondContact O-CD1 3.19Å
163S94.9Very high96.4Very high25 Ų2543.8 Ų43.818%0.17526%0.256CS..THydrogen-bonded Turntrans-91.9-3.3176.363.90000114.3S124 I159 D160 R161S124-S163 VanDerWaalsContact CB-CB 3.46Å; I159-S163 WeakPolarHBondContact O-CB 3.36Å; I159-S163 PolarHBondContact O-N 3.29Å; I159-S163 PolarHBondContact O-OG 3.19Å; D160-S163 PolarHBondContact O-OG 2.77Å; R161-S163 VanDerWaalsContact C-N 3.32Å
164A94.9Very high96.4Very high31 Ų3142.7 Ų42.726%0.25624%0.244SC..SBendtrans-61.3140.5177.600000111.1D160 D166 Y167D160-A164 PolarHBondContact O-N 3.45Å; A164-D166 PolarHBondContact O-N 2.86Å; A164-Y167 WeakPolarHBondContact O-CB 3.49Å; A164-Y167 PolarHBondContact O-N 2.83Å
165P92Very high96.4Very high136 Ų13640.2 Ų40.288%0.88323%0.234SC*.THydrogen-bonded Turntrans-58.2-33.3-178.5-26.234.7000114.1
166D93.1Very high96.3Very high137 Ų13742.9 Ų42.973%0.73324%0.244SC*.THydrogen-bonded Turntrans-94.510.3178.667-32.7000113A164 L168A164-D166 PolarHBondContact O-N 2.86Å; D166-L168 PolarHBondContact O-N 3.17Å; D166-L168 VanDerWaalsContact O-N 3.14Å
167Y95.5Very high96.2Very high11 Ų1143.1 Ų43.14%0.04325%0.246CC..  trans-52.2124.1-179.4171.1-125.5000110.8K70 F74 R161 I162 A164 P169 D173K70-Y167 WeakPolarHBondContact CE-O 3.47Å; K70-Y167 HydrophobicContact CG-CD1 4.46Å; K70-Y167 HydrophobicContact CG-CE1 4.45Å; K70-Y167 PolarHBondContact NZ-O 3.19Å; F74-Y167 AromaticContact CE1-CD1 3.9Å; F74-Y167 HydrophobicContact CE1-CD1 3.9Å; F74-Y167 AromaticContact CE1-CE1 3.8Å; F74-Y167 HydrophobicContact CE1-CE1 3.8Å; F74-Y167 AromaticContact CZ-CD1 3.89Å; F74-Y167 HydrophobicContact CZ-CD1 3.89Å; F74-Y167 HydrophobicContact CZ-CE1 4.16Å; R161-Y167 WeakPolarHBondContact O-CD2 3.27Å; I162-Y167 HydrophobicContact CB-CD1 4.33Å; I162-Y167 HydrophobicContact CB-CE1 3.96Å; I162-Y167 HydrophobicContact CB-CE2 4.27Å; I162-Y167 HydrophobicContact CG2-CE1 4.3Å; I162-Y167 HydrophobicContact CG2-CE2 3.97Å; I162-Y167 WeakPolarHBondContact O-CD1 3.19Å; A164-Y167 WeakPolarHBondContact O-CB 3.49Å; A164-Y167 PolarHBondContact O-N 2.83Å; Y167-P169 HydrophobicContact CE1-CG 3.83Å; Y167-D173 VanDerWaalsContact OH-CG 3.23Å; Y167-D173 PolarHBondContact OH-OD2 3.37Å
168L95.7Very high96.1Very high47 Ų4743.4 Ų43.425%0.24623%0.231CC..  trans-119.9120.3168.7178.665.8000107.4E63 R66 K67 D166 T170E63-L168 HydrophobicContact CB-CD2 4.31Å; E63-L168 HydrophobicContact CG-CD2 4.18Å; R66-L168 HydrophobicContact CB-CD1 4.33Å; K67-L168 HydrophobicContact CG-CD1 3.7Å; D166-L168 PolarHBondContact O-N 3.17Å; D166-L168 VanDerWaalsContact O-N 3.14Å; L168-T170 PolarHBondContact O-N 2.84Å
169P97.4Very high96Very high0 Ų046 Ų460%025%0.245CC..  trans-52.2130.9177.9-31.539000111.8R66 K70 I73 Y167 D173 V174R66-P169 HydrophobicContact CB-CB 4.4Å; R66-P169 VanDerWaalsContact CD-O 3.27Å; R66-P169 WeakPolarHBondContact CD-O 3.33Å; R66-P169 PolarHBondContact NH1-O 2.85Å; R66-P169 VanDerWaalsContact O-CG 3.25Å; R66-P169 WeakPolarHBondContact O-CG 3.42Å; K70-P169 HydrophobicContact CG-CG 3.81Å; I73-P169 HydrophobicContact CD1-CB 3.69Å; I73-P169 HydrophobicContact CD1-CG 3.72Å; Y167-P169 HydrophobicContact CE1-CG 3.83Å; P169-D173 HydrophobicContact CB-CB 4.06Å; P169-V174 HydrophobicContact CB-CG2 4.49Å
170T96.8Very high95.8Very high54 Ų5451.2 Ų51.233%0.33127%0.268SS..  trans-75.616617165.90000109.8L168 Q172 D173 V174L168-T170 PolarHBondContact O-N 2.84Å; T170-Q172 PolarHBondContact O-N 3.41Å; T170-Q172 PolarHBondContact OG1-N 3.35Å; T170-D173 WeakPolarHBondContact CB-OD2 3.43Å; T170-D173 PolarHBondContact N-OD2 2.99Å; T170-D173 WeakPolarHBondContact O-CB 3.3Å; T170-D173 PolarHBondContact O-N 3.44Å; T170-D173 VanDerWaalsContact O-N 3.11Å; T170-D173 VanDerWaalsContact OG1-CG 3.3Å; T170-D173 PolarHBondContact OG1-N 3.47Å; T170-D173 VanDerWaalsContact OG1-N 3.14Å; T170-D173 PolarHBondContact OG1-OD2 3.1Å; T170-V174 WeakPolarHBondContact O-CG2 3.47Å; T170-V174 PolarHBondContact O-N 2.76Å
171E95.6Very high95.7Very high67 Ų6746.8 Ų46.831%0.31325%0.245SC..Hα-helixtrans-56.3-32.5169.5-66-172146.600111.7I55 V174 L175I55-E171 HydrophobicContact CD1-CB 4.16Å; I55-E171 HydrophobicContact CD1-CG 4.41Å; E171-V174 WeakPolarHBondContact O-CB 3.39Å; E171-V174 PolarHBondContact O-N 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 VanDerWaalsContact O-CG 3.24Å; E171-L175 WeakPolarHBondContact O-CG 3.36Å; E171-L175 PolarHBondContact O-N 2.7Å
172Q96.5Very high95.4Very high54 Ų5447.2 Ų47.225%0.25226%0.257SS..Hα-helixtrans-70.3-34.9178.4-172.563.7-30.800112.9Y154 T170 L175 R176 T327Y154-Q172 HydrophobicContact CE2-CG 4.11Å; T170-Q172 PolarHBondContact O-N 3.41Å; T170-Q172 PolarHBondContact OG1-N 3.35Å; Q172-L175 PolarHBondContact O-N 3.04Å; Q172-R176 WeakPolarHBondContact O-CB 3.42Å; Q172-R176 VanDerWaalsContact O-CG 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.2Å; Q172-R176 PolarHBondContact O-N 2.87Å; Q172-T327 PolarHBondContact OE1-O 3.49Å
173D97.7Very high95.3Very high0 Ų048 Ų480%027%0.265CS..Hα-helixtrans-64.5-44.3169.9-59.1-60.1000110.2I73 Y154 Y155 R161 Y167 P169 T170 L175 R176 S177I73-D173 HydrophobicContact CD1-CB 3.72Å; Y154-D173 WeakPolarHBondContact CE1-OD1 3.4Å; Y154-D173 PolarHBondContact OH-OD1 2.73Å; Y154-D173 VanDerWaalsContact OH-OD1 3.06Å; Y155-D173 HydrophobicContact CE1-CB 4.37Å; Y155-D173 PolarHBondContact OH-O 2.96Å; R161-D173 IonicContact CZ-OD1 2.9Å; R161-D173 IonicContact CZ-OD2 3.57Å; R161-D173 VanDerWaalsContact NH1-CG 3.34Å; R161-D173 IonicContact NH1-OD1 2.82Å; R161-D173 PolarHBondContact NH1-OD1 2.93Å; R161-D173 VanDerWaalsContact NH1-OD1 3.15Å; R161-D173 IonicContact NH1-OD2 3.05Å; R161-D173 PolarHBondContact NH1-OD2 3.36Å; R161-D173 IonicContact NH2-OD1 3.63Å; R161-D173 PolarHBondContact NH2-OD1 3.47Å; R161-D173 IonicContact NH2-OD2 3.47Å; Y167-D173 VanDerWaalsContact OH-CG 3.23Å; Y167-D173 PolarHBondContact OH-OD2 3.37Å; P169-D173 HydrophobicContact CB-CB 4.06Å; T170-D173 WeakPolarHBondContact CB-OD2 3.43Å; T170-D173 PolarHBondContact N-OD2 2.99Å; T170-D173 WeakPolarHBondContact O-CB 3.3Å; T170-D173 PolarHBondContact O-N 3.44Å; T170-D173 VanDerWaalsContact O-N 3.11Å; T170-D173 VanDerWaalsContact OG1-CG 3.3Å; T170-D173 PolarHBondContact OG1-N 3.47Å; T170-D173 VanDerWaalsContact OG1-N 3.14Å; T170-D173 PolarHBondContact OG1-OD2 3.1Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.2Å; D173-R176 PolarHBondContact O-N 3.16Å; D173-S177 PolarHBondContact O-N 3.33Å
174V97.1Very high95.3Very high0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-60-44.2176.5174.10000111.4K51 Y61 R66 Y69 P169 T170 E171 R176 S177K51-V174 HydrophobicContact CD-CG1 4.37Å; K51-V174 PolarHBondContact NZ-O 2.84Å; Y61-V174 HydrophobicContact CD1-CG1 4.26Å; Y61-V174 HydrophobicContact CD2-CG1 4.11Å; Y61-V174 HydrophobicContact CE1-CG1 4.09Å; Y61-V174 HydrophobicContact CE2-CG1 3.94Å; Y61-V174 HydrophobicContact CG-CG1 4.27Å; R66-V174 HydrophobicContact CG-CG2 4.08Å; Y69-V174 HydrophobicContact CD1-CG1 4.4Å; Y69-V174 HydrophobicContact CD2-CG1 4.11Å; Y69-V174 HydrophobicContact CD2-CG2 3.78Å; Y69-V174 HydrophobicContact CE1-CG1 4.04Å; Y69-V174 HydrophobicContact CE2-CG1 3.74Å; Y69-V174 HydrophobicContact CE2-CG2 4.23Å; Y69-V174 HydrophobicContact CG-CG1 4.42Å; Y69-V174 HydrophobicContact CG-CG2 3.97Å; P169-V174 HydrophobicContact CB-CG2 4.49Å; T170-V174 WeakPolarHBondContact O-CG2 3.47Å; T170-V174 PolarHBondContact O-N 2.76Å; E171-V174 WeakPolarHBondContact O-CB 3.39Å; E171-V174 PolarHBondContact O-N 3.31Å; V174-R176 PolarHBondContact O-N 2.86Å; V174-S177 PolarHBondContact O-N 3.15Å; V174-S177 PolarHBondContact O-OG 2.87Å
175L96.9Very high95.2Very high2 Ų251.5 Ų51.51%0.0128%0.279CS..Hα-helixtrans-65.4-36.3179.5-73.1171.5000112.9T48 K51 Q52 I55 E171 Q172 D173 T327T48-L175 HydrophobicContact CG2-CB 4.29Å; T48-L175 HydrophobicContact CG2-CD2 3.99Å; T48-L175 PolarHBondContact OG1-O 2.88Å; K51-L175 HydrophobicContact CB-CD2 3.72Å; Q52-L175 HydrophobicContact CG-CD1 4.49Å; Q52-L175 HydrophobicContact CG-CD2 3.73Å; I55-L175 HydrophobicContact CD1-CD1 4.07Å; I55-L175 HydrophobicContact CD1-CD2 3.98Å; I55-L175 HydrophobicContact CD1-CG 4.04Å; E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 VanDerWaalsContact O-CG 3.24Å; E171-L175 WeakPolarHBondContact O-CG 3.36Å; E171-L175 PolarHBondContact O-N 2.7Å; Q172-L175 PolarHBondContact O-N 3.04Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.2Å; L175-T327 HydrophobicContact CB-CG2 4.36Å
176R97.4Very high95.3Very high56 Ų5649.7 Ų49.721%0.21126%0.259CS..Hα-helixtrans-88-10.2-178.1-69.4-180175.1-103.4-8.1114S151 Y154 Y155 Q172 D173 V174 T327S151-R176 VanDerWaalsContact CB-O 3.3Å; S151-R176 WeakPolarHBondContact CB-O 3.49Å; S151-R176 PolarHBondContact OG-O 3.05Å; Y154-R176 HydrophobicContact CD1-CB 4.21Å; Y154-R176 VanDerWaalsContact CD1-CD 3.4Å; Y154-R176 HydrophobicContact CD1-CG 4.42Å; Y154-R176 HydrophobicContact CE1-CB 4.35Å; Y154-R176 VanDerWaalsContact CG-CD 3.44Å; Y155-R176 HydrophobicContact CE2-CB 4.34Å; Y155-R176 VanDerWaalsContact OH-C 3.24Å; Q172-R176 WeakPolarHBondContact O-CB 3.42Å; Q172-R176 VanDerWaalsContact O-CG 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.2Å; Q172-R176 PolarHBondContact O-N 2.87Å; D173-R176 PolarHBondContact O-N 3.16Å; V174-R176 PolarHBondContact O-N 2.86Å; R176-T327 HydrophobicContact CG-CG2 4.03Å; R176-T327 PolarHBondContact NH2-OG1 3.13Å
177S96.8Very high95.3Very high7 Ų745.1 Ų45.15%0.04924%0.236CC..  trans-67.1141174.171.90000111.4K51 Y69 Y155 D173 V174K51-S177 PolarHBondContact NZ-O 3.4Å; K51-S177 VanDerWaalsContact NZ-O 3.17Å; K51-S177 PolarHBondContact NZ-OG 3.42Å; Y69-S177 VanDerWaalsContact CD1-OG 3.24Å; Y69-S177 WeakPolarHBondContact CD1-OG 3.32Å; Y69-S177 WeakPolarHBondContact CE1-OG 3.42Å; Y155-S177 WeakPolarHBondContact OH-CA 3.46Å; Y155-S177 PolarHBondContact OH-N 2.76Å; D173-S177 PolarHBondContact O-N 3.33Å; V174-S177 PolarHBondContact O-N 3.15Å; V174-S177 PolarHBondContact O-OG 2.87Å
178R95.3Very high95.1Very high58 Ų5849 Ų4922%0.21926%0.258CS..  trans-118.5113.8-173.1178.973.7-175.189.312.7109.9E43 N76 K180E43-R178 IonicContact OE1-CZ 2.73Å; E43-R178 IonicContact OE1-NE 3.82Å; E43-R178 PolarHBondContact OE1-NE 3.41Å; E43-R178 IonicContact OE1-NH2 3.54Å; E43-R178 PolarHBondContact OE1-NH2 3.08Å; N76-R178 PolarHBondContact ND2-O 3.47Å; N76-R178 VanDerWaalsContact ND2-O 3.1Å; N76-R178 PolarHBondContact OD1-N 2.88Å; N76-R178 PolarHBondContact OD1-O 3.22Å; R178-K180 VanDerWaalsContact NH1-CA 3.27Å
179V94.5Very high94.7Very high81 Ų8148.2 Ų48.249%0.49125%0.252SS..  trans-123.9127.2167-178.40000108.3I72 T181I72-V179 HydrophobicContact CD1-CG2 3.91Å; I72-V179 HydrophobicContact CG1-CG2 4.35Å; I72-V179 HydrophobicContact CG2-CG2 3.67Å; V179-T181 PolarHBondContact O-N 3.16Å; V179-T181 VanDerWaalsContact O-N 3.08Å
180K94Very high94.2Very high111 Ų11155.3 Ų55.348%0.48328%0.279SS..  trans-62.7111.6176.4-177.2178.4172.6-175.50109.4R178 T182R178-K180 VanDerWaalsContact NH1-CA 3.27Å; K180-T182 PolarHBondContact O-N 3.3Å
181T93.4Very high93.6Very high22 Ų2254.5 Ų54.514%0.13527%0.271CS..  trans-65.1119.7173.7-42.50000109.6S47 V179 V185 G202S47-T181 PolarHBondContact OG-OG1 2.84Å; V179-T181 PolarHBondContact O-N 3.16Å; V179-T181 VanDerWaalsContact O-N 3.08Å; T181-V185 HydrophobicContact CG2-CG2 4.2Å; T181-G202 WeakPolarHBondContact O-CA 3.37Å
182T92.8Very high93Very high93 Ų9356.8 Ų56.857%0.57128%0.28SS*.  trans-113.6136.2174.654.50000109.1K180K180-T182 PolarHBondContact O-N 3.3Å
183G93.3Very high92.4Very high16 Ų1659.5 Ų59.517%0.16530%0.296CS..SBendtrans73.8-143.9-178.700000113.2G202 E207G183-G202 PolarHBondContact O-N 3.32Å; G183-G202 VanDerWaalsContact O-N 3.14Å; G183-E207 PolarHBondContact N-OE2 2.68Å
184I94.3Very high91.9Very high68 Ų6860.5 Ų60.535%0.34930%0.301SS..EExtended strand (participates in β ladder)trans-124.3126.6-174.7-60157.8000106.9F199 V201 H213 C214I184-F199 HydrophobicContact CG2-CD1 3.87Å; I184-V201 HydrophobicContact CB-CG1 4.37Å; I184-V201 HydrophobicContact CG1-CG1 3.9Å; I184-V201 HydrophobicContact CG2-CG1 4.22Å; I184-H213 HydrophobicContact CD1-CB 3.97Å; I184-C214 VanDerWaalsContact CD1-SG 3.59Å; I184-C214 VanDerWaalsContact CG2-SG 3.54Å
185V93.8Very high91.6Very high62 Ų6263.1 Ų63.138%0.37632%0.315SS..EExtended strand (participates in β ladder)trans-112.7120.8175179.20000107.7T181 F199 D200T181-V185 HydrophobicContact CG2-CG2 4.2Å; V185-F199 WeakPolarHBondContact O-CA 3.44Å; V185-D200 HydrophobicContact CB-CB 4.5Å; V185-D200 PolarHBondContact N-O 3.39Å; V185-D200 PolarHBondContact O-N 3.23Å
186E94.3Very high91.4Very high97 Ų9763.4 Ų63.445%0.45332%0.316SS..EExtended strand (participates in β ladder)trans-95.9135.4173.2-175.6179.9142.600109.3N188 V198 F199E186-N188 PolarHBondContact OE1-ND2 3.44Å; E186-N188 PolarHBondContact OE1-OD1 3.05Å; E186-V198 CarbonylContact C-O 3.56Å; E186-V198 WeakPolarHBondContact CA-O 3.41Å; E186-F199 HydrophobicContact CB-CD1 4.34Å; E186-F199 HydrophobicContact CB-CE1 4.08Å; E186-F199 HydrophobicContact CG-CD1 4.47Å; E186-F199 HydrophobicContact CG-CE1 3.95Å; E186-F199 HydrophobicContact CG-CZ 3.96Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.12Å; E186-F199 WeakPolarHBondContact OE2-CZ 3.35Å
187T91.8Very high91.2Very high42 Ų4263.8 Ų63.826%0.25832%0.319SS..EExtended strand (participates in β ladder)trans-134.1129.9172.2-620000109.2L50 V198L50-T187 HydrophobicContact CD1-CG2 4.28Å; T187-V198 PolarHBondContact N-O 3.09Å; T187-V198 PolarHBondContact O-N 3.36Å
188N91.7Very high91.1Very high93 Ų9363.4 Ų63.450%0.49732%0.317SS..EExtended strand (participates in β ladder)trans-114133.6-175.2-61.6-28.8000109.4E186 F196 K197E186-N188 PolarHBondContact OE1-ND2 3.44Å; E186-N188 PolarHBondContact OE1-OD1 3.05Å; N188-F196 VanDerWaalsContact CA-O 3.3Å; N188-F196 WeakPolarHBondContact CA-O 3.47Å; N188-K197 WeakPolarHBondContact OD1-CA 3.49Å; N188-K197 WeakPolarHBondContact OD1-CG 3.25Å
189F88.3Confident91.1Very high29 Ų2961.7 Ų61.713%0.12731%0.311CS..EExtended strand (participates in β ladder)trans-149.7154.1172.562-91.6000110.1M53 H57 F191 F196 V198M53-F189 HydrophobicContact CB-CE1 3.97Å; M53-F189 HydrophobicContact CB-CZ 4.21Å; M53-F189 HydrophobicContact CG-CE1 4.31Å; M53-F189 HydrophobicContact CG-CZ 4.29Å; M53-F189 HydrophobicContact SD-CE1 3.7Å; M53-F189 HydrophobicContact SD-CZ 3.96Å; H57-F189 HydrophobicContact CB-CD2 4.12Å; H57-F189 HydrophobicContact CB-CE2 4.22Å; F189-F191 HydrophobicContact CD2-CB 4.17Å; F189-F191 HydrophobicContact CE2-CB 4.14Å; F189-F196 HydrophobicContact CD1-CB 4.24Å; F189-F196 HydrophobicContact CD2-CB 4.04Å; F189-F196 HydrophobicContact CD2-CD2 4.26Å; F189-F196 HydrophobicContact CD2-CG 4.37Å; F189-F196 HydrophobicContact CE1-CB 3.95Å; F189-F196 HydrophobicContact CE2-CB 3.7Å; F189-F196 HydrophobicContact CE2-CD1 4.4Å; F189-F196 AromaticContact CE2-CD2 3.74Å; F189-F196 HydrophobicContact CE2-CD2 3.74Å; F189-F196 HydrophobicContact CE2-CE2 4.48Å; F189-F196 AromaticContact CE2-CG 3.69Å; F189-F196 HydrophobicContact CE2-CG 3.69Å; F189-F196 HydrophobicContact CG-CB 4.3Å; F189-F196 HydrophobicContact CZ-CB 3.65Å; F189-F196 HydrophobicContact CZ-CD1 4.21Å; F189-F196 HydrophobicContact CZ-CD2 4.33Å; F189-F196 AromaticContact CZ-CG 3.82Å; F189-F196 HydrophobicContact CZ-CG 3.82Å; F189-F196 PolarHBondContact N-O 2.73Å; F189-F196 VanDerWaalsContact N-O 3.11Å; F189-F196 WeakPolarHBondContact O-CB 3.45Å; F189-F196 PolarHBondContact O-N 2.67Å; F189-V198 HydrophobicContact CD1-CG2 4.35Å; F189-V198 HydrophobicContact CE1-CG2 3.46Å; F189-V198 VanDerWaalsContact CE1-CG2 3.46Å; F189-V198 HydrophobicContact CZ-CG2 4.07Å
190R86.6Confident91.2Very high149 Ų14958 Ų5856%0.56229%0.289SS*.EExtended strand (participates in β ladder)trans-101.3132174.1-173.8169.5176.2159.5-1.8109.2
191F84.3Confident91.3Very high37 Ų3752.7 Ų52.716%0.16227%0.266CS..EExtended strand (participates in β ladder)trans-138.9125.6174.2179.2-104.7000110H57 F189 D193 L194 F196 I340H57-F191 HydrophobicContact CB-CD2 4.1Å; H57-F191 AromaticContact CE1-CD2 3.8Å; H57-F191 AromaticContact CE1-CE2 3.41Å; H57-F191 VanDerWaalsContact CE1-CE2 3.41Å; H57-F191 WeakPolarHBondContact CE1-CE2 3.42Å; H57-F191 AromaticContact CE1-CZ 3.55Å; H57-F191 AromaticContact CG-CD2 3.79Å; H57-F191 AromaticContact ND1-CD2 3.1Å; H57-F191 WeakPolarHBondContact ND1-CD2 3.47Å; H57-F191 AromaticContact ND1-CE2 3.02Å; H57-F191 WeakPolarHBondContact ND1-CE2 3.43Å; H57-F191 AromaticContact ND1-CG 3.84Å; H57-F191 AromaticContact ND1-CZ 3.68Å; F189-F191 HydrophobicContact CD2-CB 4.17Å; F189-F191 HydrophobicContact CE2-CB 4.14Å; F191-D193 PolarHBondContact O-N 3.33Å; F191-L194 PolarHBondContact N-O 3.12Å; F191-L194 PolarHBondContact O-N 2.89Å; F191-L194 VanDerWaalsContact O-N 3.12Å; F191-F196 HydrophobicContact CB-CD2 4.16Å; F191-F196 HydrophobicContact CB-CE2 4.01Å; F191-F196 HydrophobicContact CD1-CE2 4.4Å; F191-I340 HydrophobicContact CD1-CD1 3.41Å; F191-I340 VanDerWaalsContact CD1-CD1 3.41Å; F191-I340 HydrophobicContact CE1-CD1 3.29Å; F191-I340 HydrophobicContact CE1-CG2 4.32Å; F191-I340 HydrophobicContact CG-CD1 4.45Å; F191-I340 HydrophobicContact CZ-CD1 4.31Å
192K82.6Confident91.4Very high115 Ų11551.7 Ų51.750%0.526%0.259SS..THydrogen-bonded Turntrans53.1-130.9-165.8-57175.1179.11740109.3
193D83.7Confident91.5Very high111 Ų11147.4 Ų47.459%0.59423%0.234SC*.THydrogen-bonded Turntrans-95.414.2178-67.8-49.3000114F191F191-D193 PolarHBondContact O-N 3.33Å
194L88.3Confident91.6Very high21 Ų2147.6 Ų47.611%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-110.3138.7-178.2-59.3174.4000111.4K32 V34 F191 F196 I344K32-L194 CarbonylContact O-C 3.56Å; K32-L194 WeakPolarHBondContact O-CA 3.44Å; V34-L194 HydrophobicContact CG2-CB 4.29Å; V34-L194 HydrophobicContact CG2-CD1 4.11Å; V34-L194 HydrophobicContact CG2-CD2 4.3Å; V34-L194 HydrophobicContact CG2-CG 4.47Å; F191-L194 PolarHBondContact N-O 3.12Å; F191-L194 PolarHBondContact O-N 2.89Å; F191-L194 VanDerWaalsContact O-N 3.12Å; L194-F196 HydrophobicContact CB-CD2 4.17Å; L194-F196 HydrophobicContact CB-CE2 3.67Å; L194-F196 HydrophobicContact CB-CZ 4.37Å; L194-F196 HydrophobicContact CD1-CE2 4.19Å; L194-F196 HydrophobicContact CD1-CZ 4.15Å; L194-I344 HydrophobicContact CD1-CD1 4.08Å; L194-I344 HydrophobicContact CD1-CG1 3.77Å
195D90.6Very high91.6Very high56 Ų5648.7 Ų48.730%0.29923%0.23SC..EExtended strand (participates in β ladder)trans-99.6105.1175-65.2-50.4000108.5K32 E33 V34K32-D195 PolarHBondContact O-N 3.12Å; E33-D195 WeakPolarHBondContact CA-O 3.49Å; V34-D195 PolarHBondContact N-O 3.24Å
196F91.3Very high91.7Very high7 Ų749.3 Ų49.33%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-86.8131.5-179.2-74.8-98.3000110.9V34 N188 F189 F191 L194 V198 I340 I343V34-F196 HydrophobicContact CB-CD1 3.86Å; V34-F196 HydrophobicContact CB-CE1 3.92Å; V34-F196 HydrophobicContact CB-CG 4.32Å; V34-F196 HydrophobicContact CB-CZ 4.41Å; V34-F196 HydrophobicContact CG1-CD1 3.71Å; V34-F196 HydrophobicContact CG1-CE1 3.57Å; V34-F196 HydrophobicContact CG1-CZ 4.39Å; V34-F196 HydrophobicContact CG2-CE1 4.39Å; V34-F196 HydrophobicContact CG2-CZ 4.46Å; V34-F196 WeakPolarHBondContact O-CA 3.31Å; N188-F196 VanDerWaalsContact CA-O 3.3Å; N188-F196 WeakPolarHBondContact CA-O 3.47Å; F189-F196 HydrophobicContact CD1-CB 4.24Å; F189-F196 HydrophobicContact CD2-CB 4.04Å; F189-F196 HydrophobicContact CD2-CD2 4.26Å; F189-F196 HydrophobicContact CD2-CG 4.37Å; F189-F196 HydrophobicContact CE1-CB 3.95Å; F189-F196 HydrophobicContact CE2-CB 3.7Å; F189-F196 HydrophobicContact CE2-CD1 4.4Å; F189-F196 AromaticContact CE2-CD2 3.74Å; F189-F196 HydrophobicContact CE2-CD2 3.74Å; F189-F196 HydrophobicContact CE2-CE2 4.48Å; F189-F196 AromaticContact CE2-CG 3.69Å; F189-F196 HydrophobicContact CE2-CG 3.69Å; F189-F196 HydrophobicContact CG-CB 4.3Å; F189-F196 HydrophobicContact CZ-CB 3.65Å; F189-F196 HydrophobicContact CZ-CD1 4.21Å; F189-F196 HydrophobicContact CZ-CD2 4.33Å; F189-F196 AromaticContact CZ-CG 3.82Å; F189-F196 HydrophobicContact CZ-CG 3.82Å; F189-F196 PolarHBondContact N-O 2.73Å; F189-F196 VanDerWaalsContact N-O 3.11Å; F189-F196 WeakPolarHBondContact O-CB 3.45Å; F189-F196 PolarHBondContact O-N 2.67Å; F191-F196 HydrophobicContact CB-CD2 4.16Å; F191-F196 HydrophobicContact CB-CE2 4.01Å; F191-F196 HydrophobicContact CD1-CE2 4.4Å; L194-F196 HydrophobicContact CB-CD2 4.17Å; L194-F196 HydrophobicContact CB-CE2 3.67Å; L194-F196 HydrophobicContact CB-CZ 4.37Å; L194-F196 HydrophobicContact CD1-CE2 4.19Å; L194-F196 HydrophobicContact CD1-CZ 4.15Å; F196-V198 HydrophobicContact CB-CG2 4.35Å; F196-I340 HydrophobicContact CE1-CG1 4.47Å; F196-I340 HydrophobicContact CZ-CD1 4.18Å; F196-I340 HydrophobicContact CZ-CG1 3.95Å; F196-I343 HydrophobicContact CE1-CD1 4.46Å
197K93.5Very high91.7Very high64 Ų6445.7 Ų45.728%0.27823%0.225SC..EExtended strand (participates in β ladder)trans-113.8109.1164.2-60.4-173.6-179.3159.10109.1E33 V34 K35 L36 N188 F199E33-K197 HydrophobicContact CG-CD 4.37Å; E33-K197 HydrophobicContact CG-CG 4.5Å; E33-K197 WeakPolarHBondContact OE1-CE 3.39Å; E33-K197 IonicContact OE1-NZ 2.75Å; E33-K197 PolarHBondContact OE1-NZ 3.28Å; E33-K197 WeakPolarHBondContact OE2-CE 3.21Å; E33-K197 IonicContact OE2-NZ 2.76Å; E33-K197 PolarHBondContact OE2-NZ 3.31Å; V34-K197 PolarHBondContact O-N 2.89Å; K35-K197 WeakPolarHBondContact CA-O 3.49Å; L36-K197 PolarHBondContact N-O 3.1Å; N188-K197 WeakPolarHBondContact OD1-CA 3.49Å; N188-K197 WeakPolarHBondContact OD1-CG 3.25Å; K197-F199 HydrophobicContact CB-CE2 3.83Å
198V94.4Very high91.9Very high0 Ų046 Ų460%022%0.221CC..EExtended strand (participates in β ladder)trans-106.1124.7-176.5-171.50000110L36 L38 L50 M53 E186 T187 F189 F196L36-V198 HydrophobicContact CB-CG1 4.42Å; L36-V198 HydrophobicContact CB-CG2 4.13Å; L36-V198 HydrophobicContact CD2-CG1 4.22Å; L36-V198 HydrophobicContact CD2-CG2 4.23Å; L36-V198 WeakPolarHBondContact O-CA 3.3Å; L38-V198 HydrophobicContact CD1-CG1 3.95Å; L38-V198 HydrophobicContact CD2-CG1 3.94Å; L38-V198 HydrophobicContact CG-CG1 3.71Å; L50-V198 HydrophobicContact CD1-CB 3.91Å; L50-V198 HydrophobicContact CD1-CG1 3.62Å; M53-V198 HydrophobicContact CE-CG1 4.16Å; M53-V198 HydrophobicContact CE-CG2 4.38Å; M53-V198 HydrophobicContact SD-CB 4.44Å; M53-V198 HydrophobicContact SD-CG1 4.08Å; M53-V198 HydrophobicContact SD-CG2 3.94Å; E186-V198 CarbonylContact C-O 3.56Å; E186-V198 WeakPolarHBondContact CA-O 3.41Å; T187-V198 PolarHBondContact N-O 3.09Å; T187-V198 PolarHBondContact O-N 3.36Å; F189-V198 HydrophobicContact CD1-CG2 4.35Å; F189-V198 HydrophobicContact CE1-CG2 3.46Å; F189-V198 VanDerWaalsContact CE1-CG2 3.46Å; F189-V198 HydrophobicContact CZ-CG2 4.07Å; F196-V198 HydrophobicContact CB-CG2 4.35Å
199F96.1Very high92Very high22 Ų2250.5 Ų50.510%0.09624%0.236CC..EExtended strand (participates in β ladder)trans-106.3109.5-180-67.8-94.4000109.5K35 L36 L37 L38 I184 V185 E186 K197K35-F199 HydrophobicContact CD-CD2 4.37Å; K35-F199 HydrophobicContact CD-CE2 3.98Å; K35-F199 HydrophobicContact CG-CD2 3.92Å; K35-F199 HydrophobicContact CG-CE2 3.76Å; L36-F199 PolarHBondContact O-N 2.75Å; L37-F199 HydrophobicContact CD1-CB 3.76Å; L38-F199 PolarHBondContact N-O 3.09Å; I184-F199 HydrophobicContact CG2-CD1 3.87Å; V185-F199 WeakPolarHBondContact O-CA 3.44Å; E186-F199 HydrophobicContact CB-CD1 4.34Å; E186-F199 HydrophobicContact CB-CE1 4.08Å; E186-F199 HydrophobicContact CG-CD1 4.47Å; E186-F199 HydrophobicContact CG-CE1 3.95Å; E186-F199 HydrophobicContact CG-CZ 3.96Å; E186-F199 WeakPolarHBondContact OE2-CE1 3.12Å; E186-F199 WeakPolarHBondContact OE2-CZ 3.35Å; K197-F199 HydrophobicContact CB-CE2 3.83Å
200D96Very high92.3Very high3 Ų352.7 Ų52.72%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-96.1127.2169.5-176.728000109.9L38 K46 S47 L50 V185L38-D200 HydrophobicContact CD1-CB 4.22Å; K46-D200 WeakPolarHBondContact CB-OD1 3.4Å; S47-D200 WeakPolarHBondContact CA-OD2 3.41Å; S47-D200 WeakPolarHBondContact CB-OD2 3.26Å; S47-D200 PolarHBondContact OG-OD2 3.22Å; L50-D200 HydrophobicContact CD2-CB 3.86Å; V185-D200 HydrophobicContact CB-CB 4.5Å; V185-D200 PolarHBondContact N-O 3.39Å; V185-D200 PolarHBondContact O-N 3.23Å
201V96.3Very high92.8Very high0 Ų046.1 Ų46.10%022%0.221CC..EExtended strand (participates in β ladder)trans-122.1148-175.8-63.10000110.9L37 L38 L39 K46 I184 G203 W211L37-V201 HydrophobicContact CD1-CG1 4.44Å; L38-V201 WeakPolarHBondContact O-CG2 3.41Å; L39-V201 HydrophobicContact CD2-CG2 3.68Å; K46-V201 WeakPolarHBondContact CE-O 3.41Å; I184-V201 HydrophobicContact CB-CG1 4.37Å; I184-V201 HydrophobicContact CG1-CG1 3.9Å; I184-V201 HydrophobicContact CG2-CG1 4.22Å; V201-G203 PolarHBondContact O-N 2.82Å; V201-W211 VanDerWaalsContact CG2-CD1 3.45Å; V201-W211 HydrophobicContact CG2-CD2 4.2Å; V201-W211 HydrophobicContact CG2-CG 4.04Å; V201-W211 HydrophobicContact CG2-CZ2 4.35Å; V201-W211 VanDerWaalsContact CG2-NE1 3.25Å
202G95.5Very high93.2Very high0 Ų048.8 Ų48.80%024%0.236CC..  trans-54.6128.4175.100000112.1T181 G183 E207 W211T181-G202 WeakPolarHBondContact O-CA 3.37Å; G183-G202 PolarHBondContact O-N 3.32Å; G183-G202 VanDerWaalsContact O-N 3.14Å; G202-E207 WeakPolarHBondContact O-CB 3.49Å; G202-W211 PolarHBondContact O-NE1 3.3Å
203G94.5Very high93.7Very high3 Ų350.4 Ų50.43%0.03125%0.245CC..  trans-89.6-19.8-174.600000115.4G40 G42 V201 R208G40-G203 WeakPolarHBondContact O-CA 3.4Å; G42-G203 VanDerWaalsContact N-C 3.34Å; G42-G203 PolarHBondContact N-O 3.39Å; V201-G203 PolarHBondContact O-N 2.82Å; G203-R208 PolarHBondContact O-NE 3.45Å; G203-R208 PolarHBondContact O-NH2 3.03Å
204Q95.2Very high94.3Very high21 Ų2145.3 Ų45.310%0.09822%0.218CC..SBendtrans-66151.1179.7-65.779.512.400110.5A206 E207 R208Q204-A206 PolarHBondContact O-N 3.35Å; Q204-A206 VanDerWaalsContact O-N 3.09Å; Q204-E207 PolarHBondContact O-N 3.41Å; Q204-R208 WeakPolarHBondContact O-CG 3.14Å; Q204-R208 PolarHBondContact O-N 3.1Å
205R95.4Very high94.6Very high90 Ų9045.3 Ų45.334%0.3422%0.218SC..G310 helixtrans-51.4-40-174.6-72.5-178170.6167.6-1.8113.7E207 R208 L234 E236 D237 T240 E245R205-E207 VanDerWaalsContact C-N 3.25Å; R205-E207 PolarHBondContact O-N 2.93Å; R205-R208 PolarHBondContact O-N 3.07Å; R205-L234 VanDerWaalsContact CZ-CD1 3.43Å; R205-E236 PolarHBondContact N-OE1 3.27Å; R205-D237 IonicContact CZ-OD2 2.68Å; R205-D237 IonicContact NH1-OD2 2.77Å; R205-D237 PolarHBondContact NH1-OD2 3.29Å; R205-D237 IonicContact NH2-OD2 2.69Å; R205-D237 PolarHBondContact NH2-OD2 3.33Å; R205-T240 PolarHBondContact NH2-OG1 2.78Å; R205-E245 IonicContact CZ-OE1 2.78Å; R205-E245 IonicContact CZ-OE2 3.49Å; R205-E245 IonicContact NE-OE1 3.4Å; R205-E245 PolarHBondContact NE-OE1 3.45Å; R205-E245 IonicContact NE-OE2 2.74Å; R205-E245 IonicContact NH2-OE1 2.72Å; R205-E245 IonicContact NH2-OE2 3.47Å; R205-E245 PolarHBondContact NH2-OE2 2.97Å
206A94.8Very high94.7Very high75 Ų7550.2 Ų50.262%0.6224%0.239SC*.G310 helixtrans-62.9-26.9178.800000114.1Q204Q204-A206 PolarHBondContact O-N 3.35Å; Q204-A206 VanDerWaalsContact O-N 3.09Å
207E95.7Very high94.6Very high21 Ų2152.9 Ų52.910%0.09827%0.268CS..G310 helixtrans-89.3-18.9-177-61.1-58.6120.700112.7G183 G202 Q204 R205 K209 K210G183-E207 PolarHBondContact N-OE2 2.68Å; G202-E207 WeakPolarHBondContact O-CB 3.49Å; Q204-E207 PolarHBondContact O-N 3.41Å; R205-E207 VanDerWaalsContact C-N 3.25Å; R205-E207 PolarHBondContact O-N 2.93Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 2.74Å; E207-K210 WeakPolarHBondContact O-CB 3.2Å; E207-K210 PolarHBondContact O-N 3.25Å; E207-K210 IonicContact OE1-NZ 2.61Å; E207-K210 IonicContact OE2-NZ 3.69Å; E207-K210 PolarHBondContact OE2-NZ 2.91Å
208R95.2Very high94.7Very high48 Ų4850.4 Ų50.418%0.18126%0.258CS..G310 helixtrans-65.8-25-170.1-59-167.8-168.7154.77.6114.9G203 Q204 R205 K210 W211 E245G203-R208 PolarHBondContact O-NE 3.45Å; G203-R208 PolarHBondContact O-NH2 3.03Å; Q204-R208 WeakPolarHBondContact O-CG 3.14Å; Q204-R208 PolarHBondContact O-N 3.1Å; R205-R208 PolarHBondContact O-N 3.07Å; R208-K210 PolarHBondContact O-N 3.11Å; R208-W211 HydrophobicContact CB-CD2 4.22Å; R208-W211 HydrophobicContact CB-CZ2 4.49Å; R208-W211 HydrophobicContact CG-CD2 4.39Å; R208-W211 HydrophobicContact CG-CH2 4.25Å; R208-W211 HydrophobicContact CG-CZ2 3.78Å; R208-W211 VanDerWaalsContact O-CB 3.28Å; R208-W211 WeakPolarHBondContact O-CB 3.37Å; R208-W211 VanDerWaalsContact O-CG 3.27Å; R208-W211 PolarHBondContact O-N 2.68Å; R208-W211 VanDerWaalsContact O-N 3.11Å; R208-E245 IonicContact CZ-OE1 3.71Å; R208-E245 IonicContact NH1-OE1 2.75Å; R208-E245 PolarHBondContact NH1-OE1 3.46Å; R208-E245 IonicContact NH2-OE1 3.79Å; R208-E245 PolarHBondContact NH2-OE1 2.87Å
209K93.8Very high94.6Very high188 Ų18852 Ų5282%0.81727%0.268SS*.G310 helixtrans-59.6-28.1173.6-68.1-177.1179.4179.90112E207 W211E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 2.74Å; K209-W211 VanDerWaalsContact C-N 3.28Å; K209-W211 PolarHBondContact O-N 2.67Å
210K95Very high94.5Very high76 Ų7650.9 Ų50.933%0.3326%0.263SS..G310 helixtrans-76.4-15.4-179.2-56.2176.1-174.5167.40112.8E207 R208 L212 H213E207-K210 WeakPolarHBondContact O-CB 3.2Å; E207-K210 PolarHBondContact O-N 3.25Å; E207-K210 IonicContact OE1-NZ 2.61Å; E207-K210 IonicContact OE2-NZ 3.69Å; E207-K210 PolarHBondContact OE2-NZ 2.91Å; R208-K210 PolarHBondContact O-N 3.11Å; K210-L212 VanDerWaalsContact C-N 3.25Å; K210-L212 PolarHBondContact O-N 3.38Å; K210-H213 WeakPolarHBondContact O-CB 3.34Å; K210-H213 PolarHBondContact O-CD2 3.12Å; K210-H213 VanDerWaalsContact O-CD2 3.23Å; K210-H213 PolarHBondContact O-N 3.39Å
211W96Very high94.5Very high10 Ų1050.8 Ų50.84%0.03826%0.262CS..G310 helixtrans-61.9-35.2-176.1-676.3000112.7L39 V201 G202 R208 K209 H213 C214 F215 L249 I253L39-W211 HydrophobicContact CB-CH2 4.46Å; L39-W211 HydrophobicContact CB-CZ3 4.36Å; L39-W211 HydrophobicContact CD2-CD2 3.81Å; L39-W211 HydrophobicContact CD2-CE3 3.7Å; L39-W211 HydrophobicContact CD2-CG 4.31Å; L39-W211 HydrophobicContact CD2-CH2 4.28Å; L39-W211 HydrophobicContact CD2-CZ2 4.41Å; L39-W211 HydrophobicContact CD2-CZ3 3.93Å; V201-W211 VanDerWaalsContact CG2-CD1 3.45Å; V201-W211 HydrophobicContact CG2-CD2 4.2Å; V201-W211 HydrophobicContact CG2-CG 4.04Å; V201-W211 HydrophobicContact CG2-CZ2 4.35Å; V201-W211 VanDerWaalsContact CG2-NE1 3.25Å; G202-W211 PolarHBondContact O-NE1 3.3Å; R208-W211 HydrophobicContact CB-CD2 4.22Å; R208-W211 HydrophobicContact CB-CZ2 4.49Å; R208-W211 HydrophobicContact CG-CD2 4.39Å; R208-W211 HydrophobicContact CG-CH2 4.25Å; R208-W211 HydrophobicContact CG-CZ2 3.78Å; R208-W211 VanDerWaalsContact O-CB 3.28Å; R208-W211 WeakPolarHBondContact O-CB 3.37Å; R208-W211 VanDerWaalsContact O-CG 3.27Å; R208-W211 PolarHBondContact O-N 2.68Å; R208-W211 VanDerWaalsContact O-N 3.11Å; K209-W211 VanDerWaalsContact C-N 3.28Å; K209-W211 PolarHBondContact O-N 2.67Å; W211-H213 PolarHBondContact O-N 2.87Å; W211-H213 VanDerWaalsContact O-N 3.08Å; W211-C214 PolarHBondContact O-N 3.37Å; W211-F215 HydrophobicContact CB-CE1 3.75Å; W211-F215 HydrophobicContact CB-CZ 4.03Å; W211-F215 WeakPolarHBondContact O-CD1 3.2Å; W211-F215 VanDerWaalsContact O-CE1 3.28Å; W211-F215 WeakPolarHBondContact O-CE1 3.46Å; W211-L249 HydrophobicContact CH2-CD1 3.72Å; W211-L249 HydrophobicContact CH2-CD2 3.68Å; W211-L249 HydrophobicContact CH2-CG 4.1Å; W211-L249 HydrophobicContact CZ3-CD1 3.55Å; W211-L249 HydrophobicContact CZ3-CD2 4.27Å; W211-L249 HydrophobicContact CZ3-CG 4.2Å; W211-I253 HydrophobicContact CE3-CD1 4.22Å; W211-I253 HydrophobicContact CZ3-CD1 4.13Å; W211-I253 HydrophobicContact CZ3-CG1 4.38Å
212L93.4Very high94.5Very high93 Ų9350.8 Ų50.849%0.48726%0.262SS..G310 helixtrans-53.6-32.1179.4-175.364.2000112.3K210 C214 F215 W258K210-L212 VanDerWaalsContact C-N 3.25Å; K210-L212 PolarHBondContact O-N 3.38Å; L212-C214 PolarHBondContact O-N 3.41Å; L212-C214 VanDerWaalsContact O-N 3.12Å; L212-F215 HydrophobicContact CD1-CD2 3.99Å; L212-F215 PolarHBondContact O-N 3.43Å; L212-W258 HydrophobicContact CD1-CZ2 3.79Å
213H93.5Very high94.6Very high149 Ų14950.8 Ų50.869%0.6926%0.262SS*.G310 helixtrans-66.5-11178.4-58.8-63.5000114.1I184 K210 W211I184-H213 HydrophobicContact CD1-CB 3.97Å; K210-H213 WeakPolarHBondContact O-CB 3.34Å; K210-H213 PolarHBondContact O-CD2 3.12Å; K210-H213 VanDerWaalsContact O-CD2 3.23Å; K210-H213 PolarHBondContact O-N 3.39Å; W211-H213 PolarHBondContact O-N 2.87Å; W211-H213 VanDerWaalsContact O-N 3.08Å
214C95.1Very high94.8Very high4 Ų450.6 Ų50.63%0.02726%0.261CS..G310 helixtrans-109.8-1.3179.9-60.70000113.7K35 L37 I184 W211 L212 E216 V218K35-C214 WeakPolarHBondContact CE-O 3.38Å; K35-C214 PolarHBondContact NZ-O 2.97Å; L37-C214 HydrophobicContact CD1-CB 3.66Å; L37-C214 HydrophobicContact CD2-CB 4.43Å; I184-C214 VanDerWaalsContact CD1-SG 3.59Å; I184-C214 VanDerWaalsContact CG2-SG 3.54Å; W211-C214 PolarHBondContact O-N 3.37Å; L212-C214 PolarHBondContact O-N 3.41Å; L212-C214 VanDerWaalsContact O-N 3.12Å; C214-E216 PolarHBondContact O-N 3.21Å; C214-V218 WeakPolarHBondContact O-CG2 3.19Å
215F94.9Very high95Very high21 Ų2149.6 Ų49.69%0.09226%0.256CS..  trans-78-19-167.5-77.111.8000114.6L37 L39 W211 L212 I253 W258 F259L37-F215 HydrophobicContact CD2-CD1 3.7Å; L37-F215 HydrophobicContact CD2-CE1 3.82Å; L39-F215 HydrophobicContact CD1-CE1 4.45Å; W211-F215 HydrophobicContact CB-CE1 3.75Å; W211-F215 HydrophobicContact CB-CZ 4.03Å; W211-F215 WeakPolarHBondContact O-CD1 3.2Å; W211-F215 VanDerWaalsContact O-CE1 3.28Å; W211-F215 WeakPolarHBondContact O-CE1 3.46Å; L212-F215 HydrophobicContact CD1-CD2 3.99Å; L212-F215 PolarHBondContact O-N 3.43Å; F215-I253 HydrophobicContact CZ-CD1 4.06Å; F215-W258 HydrophobicContact CB-CB 4.45Å; F215-W258 HydrophobicContact CB-CD2 4.15Å; F215-W258 HydrophobicContact CB-CE3 4.06Å; F215-W258 HydrophobicContact CB-CG 4.34Å; F215-W258 HydrophobicContact CD2-CB 3.92Å; F215-W258 AromaticContact CD2-CD1 3.82Å; F215-W258 HydrophobicContact CD2-CD2 4.16Å; F215-W258 AromaticContact CD2-CG 3.68Å; F215-W258 HydrophobicContact CD2-CG 3.68Å; F215-W258 HydrophobicContact CG-CG 4.49Å; F215-F259 HydrophobicContact CB-CE1 4.2Å; F215-F259 HydrophobicContact CB-CZ 4.12Å; F215-F259 HydrophobicContact CD1-CE1 4.23Å; F215-F259 HydrophobicContact CD1-CE2 4.34Å; F215-F259 AromaticContact CD1-CZ 3.45Å; F215-F259 HydrophobicContact CD1-CZ 3.45Å; F215-F259 VanDerWaalsContact CD1-CZ 3.45Å; F215-F259 HydrophobicContact CD2-CE1 4.4Å; F215-F259 HydrophobicContact CD2-CE2 4.04Å; F215-F259 AromaticContact CD2-CZ 3.63Å; F215-F259 HydrophobicContact CD2-CZ 3.63Å; F215-F259 HydrophobicContact CE1-CE2 4.07Å; F215-F259 AromaticContact CE1-CZ 3.57Å; F215-F259 HydrophobicContact CE1-CZ 3.57Å; F215-F259 AromaticContact CE2-CE2 3.77Å; F215-F259 HydrophobicContact CE2-CE2 3.77Å; F215-F259 AromaticContact CE2-CZ 3.76Å; F215-F259 HydrophobicContact CE2-CZ 3.76Å; F215-F259 HydrophobicContact CG-CE1 4.05Å; F215-F259 HydrophobicContact CG-CE2 4.31Å; F215-F259 AromaticContact CG-CZ 3.46Å; F215-F259 HydrophobicContact CG-CZ 3.46Å; F215-F259 VanDerWaalsContact CG-CZ 3.46Å; F215-F259 AromaticContact CZ-CE2 3.78Å; F215-F259 HydrophobicContact CZ-CE2 3.78Å; F215-F259 AromaticContact CZ-CZ 3.73Å; F215-F259 HydrophobicContact CZ-CZ 3.73Å
216E92.8Very high95.1Very high160 Ų16045.6 Ų45.675%0.74824%0.242SC*.THydrogen-bonded Turntrans-73138178.1-172.7174.4-170.200111.9K35 C214 V218K35-E216 PolarHBondContact NZ-O 3.08Å; C214-E216 PolarHBondContact O-N 3.21Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 2.69Å
217G90.5Very high95.3Very high62 Ų6242 Ų4264%0.63921%0.213SC*.THydrogen-bonded Turntrans64.124.6171.900000115.2K35 T219K35-G217 WeakPolarHBondContact CB-O 3.28Å; K35-G217 WeakPolarHBondContact CD-O 3.36Å; G217-T219 PolarHBondContact O-N 2.77Å
218V94.2Very high95.4Very high13 Ų1341.1 Ų41.18%0.07921%0.209CC..  trans-75119.3178.8178.70000110.2K35 L37 C214 E216 A220 I221 F259 T262K35-V218 HydrophobicContact CD-CG2 4.28Å; L37-V218 HydrophobicContact CB-CG1 3.85Å; L37-V218 HydrophobicContact CB-CG2 4.18Å; L37-V218 HydrophobicContact CD2-CG2 4.06Å; C214-V218 WeakPolarHBondContact O-CG2 3.19Å; E216-V218 VanDerWaalsContact C-N 3.27Å; E216-V218 PolarHBondContact O-N 2.69Å; V218-A220 WeakPolarHBondContact CG1-O 3.36Å; V218-I221 HydrophobicContact CG1-CG1 4.02Å; V218-F259 HydrophobicContact CB-CE1 4.42Å; V218-F259 HydrophobicContact CG2-CE1 4.32Å; V218-T262 HydrophobicContact CB-CG2 4.33Å; V218-T262 HydrophobicContact CG1-CG2 3.83Å
219T92.1Very high95.5Very high32 Ų3239.2 Ų39.220%0.19620%0.202CC..SBendtrans-71.4-46.8175.4-470000111V34 K35 G217 I343 N347V34-T219 HydrophobicContact CG1-CG2 4.13Å; K35-T219 PolarHBondContact N-OG1 3.44Å; K35-T219 WeakPolarHBondContact O-CB 3.37Å; K35-T219 PolarHBondContact O-N 2.77Å; G217-T219 PolarHBondContact O-N 2.77Å; T219-I343 HydrophobicContact CG2-CG2 3.97Å; T219-N347 WeakPolarHBondContact CG2-OD1 3.37Å
220A94Very high95.7Very high0 Ų030.2 Ų30.20%016%0.163CC..EExtended strand (participates in β ladder)trans-148.2150.6178.600000111.8K35 L36 L37 V218 S263 I265 I343K35-A220 PolarHBondContact O-N 2.76Å; L36-A220 WeakPolarHBondContact CA-O 3.32Å; L36-A220 HydrophobicContact CD1-CB 3.92Å; L37-A220 PolarHBondContact N-O 3.41Å; V218-A220 WeakPolarHBondContact CG1-O 3.36Å; A220-S263 CarbonylContact C-O 3.57Å; A220-S263 WeakPolarHBondContact CA-O 3.16Å; A220-I265 HydrophobicContact CB-CD1 3.86Å; A220-I343 HydrophobicContact CB-CD1 4.05Å; A220-I343 HydrophobicContact CB-CG1 3.95Å
221I96.2Very high95.8Very high0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-102.7130.7169.9-67.4160.8000108.3L37 L39 V218 F223 I253 F259 T262 S263 I264 I265L37-I221 HydrophobicContact CB-CG1 4.49Å; L37-I221 WeakPolarHBondContact O-CA 3.46Å; L39-I221 HydrophobicContact CB-CG2 4.35Å; L39-I221 HydrophobicContact CD1-CG2 3.99Å; L39-I221 HydrophobicContact CG-CG2 4.26Å; V218-I221 HydrophobicContact CG1-CG1 4.02Å; I221-F223 HydrophobicContact CG2-CB 4.22Å; I221-I253 HydrophobicContact CD1-CG2 3.9Å; I221-I253 HydrophobicContact CG2-CG2 4.33Å; I221-F259 HydrophobicContact CD1-CB 3.99Å; I221-F259 HydrophobicContact CD1-CD1 3.58Å; I221-F259 HydrophobicContact CD1-CD2 3.45Å; I221-F259 VanDerWaalsContact CD1-CD2 3.45Å; I221-F259 HydrophobicContact CD1-CE1 3.79Å; I221-F259 HydrophobicContact CD1-CE2 3.68Å; I221-F259 HydrophobicContact CD1-CG 3.39Å; I221-F259 HydrophobicContact CD1-CZ 3.81Å; I221-F259 HydrophobicContact CG1-CD1 4.5Å; I221-F259 HydrophobicContact CG1-CE1 4.45Å; I221-T262 HydrophobicContact CD1-CG2 4.11Å; I221-T262 HydrophobicContact CG1-CG2 4.02Å; I221-S263 PolarHBondContact N-O 3.38Å; I221-I264 HydrophobicContact CB-CG1 4.32Å; I221-I264 HydrophobicContact CD1-CD1 4.49Å; I221-I264 HydrophobicContact CD1-CG1 4.33Å; I221-I265 PolarHBondContact O-N 3.44Å
222L96.5Very high95.9Very high0 Ų027.6 Ų27.60%015%0.153CC..EExtended strand (participates in β ladder)trans-101.7100.8164.1-17858000108.6L36 L37 L38 L39 V49 M53 I224 I265 F267 F336L36-L222 HydrophobicContact CD1-CB 4.13Å; L36-L222 HydrophobicContact CD2-CB 4.49Å; L36-L222 HydrophobicContact CG-CB 4.38Å; L37-L222 PolarHBondContact O-N 3Å; L38-L222 WeakPolarHBondContact CA-O 3.38Å; L38-L222 HydrophobicContact CD2-CB 3.61Å; L38-L222 HydrophobicContact CD2-CD2 3.63Å; L38-L222 HydrophobicContact CD2-CG 3.99Å; L39-L222 PolarHBondContact N-O 2.82Å; V49-L222 HydrophobicContact CG1-CD2 3.9Å; M53-L222 HydrophobicContact CE-CD2 4.42Å; L222-I224 HydrophobicContact CG-CD1 4.48Å; L222-I224 HydrophobicContact CG-CG1 4.16Å; L222-I265 HydrophobicContact CD1-CB 3.89Å; L222-I265 HydrophobicContact CD1-CG2 3.66Å; L222-F267 HydrophobicContact CD1-CB 4.43Å; L222-F267 HydrophobicContact CD1-CD1 3.45Å; L222-F267 VanDerWaalsContact CD1-CD1 3.45Å; L222-F267 HydrophobicContact CD1-CD2 3.85Å; L222-F267 HydrophobicContact CD1-CE1 3.43Å; L222-F267 VanDerWaalsContact CD1-CE1 3.43Å; L222-F267 HydrophobicContact CD1-CE2 3.85Å; L222-F267 HydrophobicContact CD1-CG 3.64Å; L222-F267 HydrophobicContact CD1-CZ 3.63Å; L222-F267 HydrophobicContact CD2-CD2 4.14Å; L222-F267 HydrophobicContact CD2-CE2 3.75Å; L222-F267 HydrophobicContact CD2-CZ 4.01Å; L222-F267 HydrophobicContact CG-CD2 4.32Å; L222-F267 HydrophobicContact CG-CE2 4.32Å; L222-F267 HydrophobicContact CG-CG 4.48Å; L222-F267 HydrophobicContact CG-CZ 4.47Å; L222-F336 HydrophobicContact CD2-CE1 4.23Å; L222-F336 HydrophobicContact CD2-CZ 4.4Å
223F98.2Very high96.1Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-93.5122.4178.9-164.7-81.9000110.2L39 I221 V225 L249 F250 I253 I265 L266 F267L39-F223 HydrophobicContact CB-CD2 3.8Å; L39-F223 HydrophobicContact CB-CE2 4.25Å; L39-F223 CarbonylContact O-C 3.41Å; L39-F223 WeakPolarHBondContact O-CA 3.38Å; I221-F223 HydrophobicContact CG2-CB 4.22Å; F223-V225 HydrophobicContact CD1-CG2 3.9Å; F223-V225 HydrophobicContact CE1-CG2 3.83Å; F223-L249 HydrophobicContact CE2-CD2 4.13Å; F223-L249 HydrophobicContact CE2-CG 3.92Å; F223-L249 HydrophobicContact CZ-CB 4.11Å; F223-L249 HydrophobicContact CZ-CD2 3.82Å; F223-L249 HydrophobicContact CZ-CG 3.79Å; F223-F250 HydrophobicContact CB-CD2 4.11Å; F223-F250 HydrophobicContact CB-CE2 4.09Å; F223-F250 HydrophobicContact CD1-CB 4.38Å; F223-F250 AromaticContact CD1-CD2 3.49Å; F223-F250 HydrophobicContact CD1-CD2 3.49Å; F223-F250 VanDerWaalsContact CD1-CD2 3.49Å; F223-F250 HydrophobicContact CD1-CE2 4.2Å; F223-F250 HydrophobicContact CD1-CG 4.33Å; F223-F250 AromaticContact CD2-CD2 3.9Å; F223-F250 HydrophobicContact CD2-CD2 3.9Å; F223-F250 HydrophobicContact CE1-CB 3.78Å; F223-F250 AromaticContact CE1-CD2 3.78Å; F223-F250 HydrophobicContact CE1-CD2 3.78Å; F223-F250 HydrophobicContact CE1-CG 4.22Å; F223-F250 HydrophobicContact CE2-CB 4.34Å; F223-F250 HydrophobicContact CE2-CD2 4.16Å; F223-F250 AromaticContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CE2 4.05Å; F223-F250 HydrophobicContact CZ-CB 3.75Å; F223-F250 HydrophobicContact CZ-CD2 4.1Å; F223-F250 HydrophobicContact CZ-CG 4.45Å; F223-I253 HydrophobicContact CD2-CB 4.4Å; F223-I253 HydrophobicContact CD2-CG1 4.41Å; F223-I253 HydrophobicContact CD2-CG2 4.33Å; F223-I253 HydrophobicContact CE2-CB 4.33Å; F223-I253 HydrophobicContact CE2-CG1 4.04Å; F223-I265 PolarHBondContact N-O 3.2Å; F223-L266 HydrophobicContact CD1-CD1 4Å; F223-L266 WeakPolarHBondContact O-CA 3.38Å; F223-F267 PolarHBondContact O-N 3.3Å
224I98.6Very high96.2Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-112.5126.8-173-49.9-179.2000110.3L39 C44 K46 V49 L222 F267 N269L39-I224 PolarHBondContact O-N 3.25Å; C44-I224 HydrophobicContact CB-CG2 4.27Å; C44-I224 WeakPolarHBondContact CB-O 3.34Å; C44-I224 WeakPolarHBondContact O-CG2 2.99Å; C44-I224 PolarHBondContact SG-O 2.62Å; K46-I224 HydrophobicContact CB-CD1 4.19Å; K46-I224 HydrophobicContact CG-CB 4.42Å; K46-I224 HydrophobicContact CG-CD1 3.82Å; K46-I224 HydrophobicContact CG-CG1 4.36Å; V49-I224 HydrophobicContact CB-CD1 4.06Å; V49-I224 HydrophobicContact CG1-CD1 4.43Å; V49-I224 HydrophobicContact CG2-CD1 3.83Å; L222-I224 HydrophobicContact CG-CD1 4.48Å; L222-I224 HydrophobicContact CG-CG1 4.16Å; I224-F267 HydrophobicContact CB-CB 4.43Å; I224-F267 HydrophobicContact CG1-CB 4.16Å; I224-F267 HydrophobicContact CG1-CD2 4.47Å; I224-F267 HydrophobicContact CG2-CB 4.26Å; I224-N269 HydrophobicContact CG2-CB 3.71Å
225V98.7Very high96.1Very high0 Ų024.1 Ų24.10%014%0.141CC..EExtended strand (participates in β ladder)trans-114.6130.3177.4-179.80000108.2F223 M227 M243 L266 F267 L268 N269 F307F223-V225 HydrophobicContact CD1-CG2 3.9Å; F223-V225 HydrophobicContact CE1-CG2 3.83Å; V225-M227 PolarHBondContact O-N 3.39Å; V225-M243 HydrophobicContact CG1-CE 4.21Å; V225-M243 HydrophobicContact CG1-SD 3.89Å; V225-L266 HydrophobicContact CG2-CD1 3.67Å; V225-F267 PolarHBondContact N-O 3.42Å; V225-L268 HydrophobicContact CB-CD2 4.03Å; V225-L268 HydrophobicContact CG1-CD2 4.34Å; V225-L268 HydrophobicContact CG2-CD2 4.25Å; V225-N269 WeakPolarHBondContact O-CA 3.38Å; V225-N269 WeakPolarHBondContact O-CB 3.39Å; V225-N269 PolarHBondContact O-N 2.94Å; V225-F307 HydrophobicContact CB-CZ 4.19Å; V225-F307 HydrophobicContact CG1-CE1 4.3Å; V225-F307 HydrophobicContact CG1-CE2 3.74Å; V225-F307 HydrophobicContact CG1-CZ 3.51Å; V225-F307 HydrophobicContact CG2-CD1 4Å; V225-F307 HydrophobicContact CG2-CE1 3.45Å; V225-F307 VanDerWaalsContact CG2-CE1 3.45Å; V225-F307 HydrophobicContact CG2-CE2 4.17Å; V225-F307 HydrophobicContact CG2-CZ 3.56Å
226A98.4Very high96.1Very high6 Ų627.1 Ų27.15%0.0516%0.155CC..EExtended strand (participates in β ladder)trans-86.5107.2168.100000109.9C44 S228 E229 K270C44-A226 HydrophobicContact CB-CB 4.14Å; A226-S228 VanDerWaalsContact C-N 3.27Å; A226-S228 PolarHBondContact O-N 3.25Å; A226-E229 HydrophobicContact CB-CB 4.31Å; A226-E229 VanDerWaalsContact CB-CD 3.46Å; A226-E229 HydrophobicContact CB-CG 3.64Å; A226-E229 WeakPolarHBondContact CB-OE1 3.43Å; A226-E229 PolarHBondContact O-N 3.29Å; A226-K270 HydrophobicContact CB-CD 3.72Å; A226-K270 HydrophobicContact CB-CG 4.29Å
227M98.6Very high96.2Very high0 Ų021.7 Ų21.70%013%0.132CC..G310 helixtrans-60.5-39.2179.6-67.2-175.574.300112.1V225 E229 Y230 L268 N269 K271 F274 I303 F323V225-M227 PolarHBondContact O-N 3.39Å; M227-E229 PolarHBondContact O-N 3.03Å; M227-E229 VanDerWaalsContact O-N 3.08Å; M227-Y230 VanDerWaalsContact O-CD1 3.3Å; M227-Y230 WeakPolarHBondContact O-CD1 3.49Å; M227-L268 HydrophobicContact CG-CB 3.85Å; M227-L268 HydrophobicContact SD-CB 3.65Å; M227-N269 WeakPolarHBondContact CB-O 3.19Å; M227-N269 WeakPolarHBondContact CG-O 3.32Å; M227-N269 PolarHBondContact N-O 3.47Å; M227-K271 HydrophobicContact SD-CB 4.38Å; M227-F274 HydrophobicContact CB-CB 3.75Å; M227-F274 HydrophobicContact CB-CD2 3.97Å; M227-F274 HydrophobicContact CB-CG 3.83Å; M227-F274 HydrophobicContact CE-CD1 3.64Å; M227-F274 HydrophobicContact CE-CE1 3.75Å; M227-F274 HydrophobicContact CE-CG 4.06Å; M227-F274 HydrophobicContact CE-CZ 4.24Å; M227-F274 WeakPolarHBondContact O-CD2 3.5Å; M227-I303 HydrophobicContact CE-CD1 4.11Å; M227-F323 HydrophobicContact CE-CD1 4.12Å; M227-F323 HydrophobicContact CE-CE1 3.86Å; M227-F323 HydrophobicContact SD-CD1 3.7Å; M227-F323 HydrophobicContact SD-CE1 4.02Å
228S97.9Very high96.3Very high1 Ų123.1 Ų23.11%0.00712%0.122CC..G310 helixtrans-66.7-6.5-177.761.70000114.3A226 K270 K277A226-S228 VanDerWaalsContact C-N 3.27Å; A226-S228 PolarHBondContact O-N 3.25Å; S228-K270 WeakPolarHBondContact OG-CD 3.3Å; S228-K277 WeakPolarHBondContact O-CD 3.09Å; S228-K277 WeakPolarHBondContact O-CE 3.41Å; S228-K277 PolarHBondContact O-NZ 3.37Å
229E97.6Very high96.3Very high8 Ų827.5 Ų27.54%0.03715%0.148CC..G310 helixtrans-94.26.4-175.9-62.3-175.7-15900113.6A226 M227 D231 L232 R242 K270A226-E229 HydrophobicContact CB-CB 4.31Å; A226-E229 VanDerWaalsContact CB-CD 3.46Å; A226-E229 HydrophobicContact CB-CG 3.64Å; A226-E229 WeakPolarHBondContact CB-OE1 3.43Å; A226-E229 PolarHBondContact O-N 3.29Å; M227-E229 PolarHBondContact O-N 3.03Å; M227-E229 VanDerWaalsContact O-N 3.08Å; E229-D231 PolarHBondContact O-N 3.34Å; E229-D231 VanDerWaalsContact O-N 3.16Å; E229-L232 HydrophobicContact CB-CD1 4.25Å; E229-L232 HydrophobicContact CG-CD1 4.02Å; E229-L232 PolarHBondContact O-N 3.45Å; E229-R242 HydrophobicContact CB-CB 3.93Å; E229-R242 IonicContact OE1-NH1 3.32Å; E229-R242 WeakPolarHBondContact OE2-CD 3.16Å; E229-R242 IonicContact OE2-CZ 3.51Å; E229-R242 IonicContact OE2-NE 2.75Å; E229-R242 IonicContact OE2-NH1 3.77Å; E229-R242 PolarHBondContact OE2-NH1 2.9Å; E229-K270 IonicContact OE1-NZ 2.73Å; E229-K270 PolarHBondContact OE1-NZ 3.08Å
230Y98Very high96.6Very high0 Ų027.7 Ų27.70%015%0.149CC..THydrogen-bonded Turntrans-58.3-26.4-179.672.6-84.7000114.7M227 N241 F274 K277 I278 S281 L283 C286M227-Y230 VanDerWaalsContact O-CD1 3.3Å; M227-Y230 WeakPolarHBondContact O-CD1 3.49Å; Y230-N241 PolarHBondContact O-ND2 3.43Å; Y230-F274 AromaticContact CD1-CD2 3.79Å; Y230-F274 HydrophobicContact CD1-CD2 3.79Å; Y230-F274 AromaticContact CD1-CE2 3.76Å; Y230-F274 HydrophobicContact CD1-CE2 3.76Å; Y230-F274 AromaticContact CE1-CD2 3.7Å; Y230-F274 HydrophobicContact CE1-CD2 3.7Å; Y230-F274 AromaticContact CE1-CE2 3.73Å; Y230-F274 HydrophobicContact CE1-CE2 3.73Å; Y230-K277 HydrophobicContact CD1-CD 4.47Å; Y230-K277 HydrophobicContact CE1-CB 4.46Å; Y230-K277 HydrophobicContact CE1-CD 3.68Å; Y230-K277 HydrophobicContact CE1-CG 4.05Å; Y230-K277 PolarHBondContact OH-O 3.16Å; Y230-I278 VanDerWaalsContact OH-CA 3.31Å; Y230-I278 WeakPolarHBondContact OH-CA 3.45Å; Y230-I278 PolarHBondContact OH-N 3.15Å; Y230-S281 WeakPolarHBondContact CE2-O 3.36Å; Y230-S281 WeakPolarHBondContact OH-CB 3.39Å; Y230-S281 PolarHBondContact OH-O 3.02Å; Y230-L283 HydrophobicContact CD2-CD1 3.93Å; Y230-L283 HydrophobicContact CE2-CD1 4.47Å; Y230-L283 HydrophobicContact CG-CD1 4.13Å; Y230-C286 WeakPolarHBondContact O-CB 3.16Å
231D97.3Very high96.8Very high15 Ų1528.8 Ų28.88%0.0816%0.155CC..THydrogen-bonded Turntrans-104.514178.571-13.7000113.4K144 E229 K277 S281 I285K144-D231 WeakPolarHBondContact CD-OD2 3.5Å; E229-D231 PolarHBondContact O-N 3.34Å; E229-D231 VanDerWaalsContact O-N 3.16Å; D231-K277 VanDerWaalsContact OD1-CD 3.32Å; D231-K277 WeakPolarHBondContact OD1-CD 3.24Å; D231-K277 IonicContact OD1-NZ 2.62Å; D231-K277 PolarHBondContact OD1-NZ 3.28Å; D231-S281 VanDerWaalsContact OD2-CB 3.28Å; D231-S281 WeakPolarHBondContact OD2-CB 3.3Å; D231-S281 PolarHBondContact OD2-OG 3.1Å; D231-I285 HydrophobicContact CB-CD1 4.3Å; D231-I285 HydrophobicContact CB-CG2 4.3Å
232L97.5Very high96.8Very high16 Ų1629.6 Ų29.68%0.08416%0.158CC..  trans-108.4155.8-179.7-57.8-173.9000112K144 E229 N241 R242K144-L232 HydrophobicContact CB-CD2 3.77Å; E229-L232 HydrophobicContact CB-CD1 4.25Å; E229-L232 HydrophobicContact CG-CD1 4.02Å; E229-L232 PolarHBondContact O-N 3.45Å; L232-N241 WeakPolarHBondContact O-CA 3.37Å; L232-R242 HydrophobicContact CB-CG 3.96Å; L232-R242 PolarHBondContact O-N 3.28Å
233K96.9Very high96.9Very high116 Ų11629.6 Ų29.650%0.50416%0.159SC..BIsolated β-bridgetrans-104.3154.6170.3-56.8-177.6-170.6171.30111.2Q147 Q238 T240 R242Q147-K233 PolarHBondContact NE2-O 3.43Å; K233-Q238 WeakPolarHBondContact CD-O 3.3Å; K233-T240 CarbonylContact C-O 3.58Å; K233-T240 VanDerWaalsContact CA-O 3.24Å; K233-T240 WeakPolarHBondContact CA-O 3.15Å; K233-R242 VanDerWaalsContact C-CG 3.47Å; K233-R242 PolarHBondContact O-NE 3.5Å
234L96.2Very high96.9Very high7 Ų733.1 Ų33.14%0.03718%0.175CC..  trans-61.2141.6176.6-71.9179.8000111.3R205 E236 Q238 T240 R242 E245R205-L234 VanDerWaalsContact CZ-CD1 3.43Å; L234-E236 PolarHBondContact O-N 2.91Å; L234-Q238 VanDerWaalsContact O-CA 3.3Å; L234-Q238 WeakPolarHBondContact O-CA 3.45Å; L234-Q238 PolarHBondContact O-N 3.38Å; L234-T240 HydrophobicContact CD1-CG2 3.87Å; L234-T240 HydrophobicContact CG-CG2 4.38Å; L234-T240 PolarHBondContact N-O 2.9Å; L234-R242 HydrophobicContact CD2-CB 4.48Å; L234-R242 HydrophobicContact CD2-CG 3.96Å; L234-R242 HydrophobicContact CG-CG 4.42Å; L234-E245 HydrophobicContact CD1-CB 4Å; L234-E245 HydrophobicContact CD1-CG 3.8Å; L234-E245 HydrophobicContact CD2-CB 4.15Å; L234-E245 HydrophobicContact CD2-CG 3.97Å; L234-E245 HydrophobicContact CG-CB 4.32Å; L234-E245 HydrophobicContact CG-CG 4.38Å
235A93.9Very high96.9Very high49 Ų4933.5 Ų33.541%0.40518%0.176SC..THydrogen-bonded Turntrans-65.9-31.8174.600000111.3Q147 Q238Q147-A235 HydrophobicContact CG-CB 4.25Å; A235-Q238 VanDerWaalsContact CA-NE2 3.32Å; A235-Q238 PolarHBondContact O-NE2 2.68Å
236E94.6Very high96.9Very high84 Ų8433.7 Ų33.739%0.39318%0.178SC..THydrogen-bonded Turntrans-69.1-28.9-174.9-65.295.1143.500114.6R205 L234R205-E236 PolarHBondContact N-OE1 3.27Å; L234-E236 PolarHBondContact O-N 2.91Å
237D94.4Very high96.9Very high47 Ų4734.4 Ų34.425%0.25118%0.181SC..THydrogen-bonded Turntrans-138.5-7.1-176.566.627.7000115.3R205 T239 T240R205-D237 IonicContact CZ-OD2 2.68Å; R205-D237 IonicContact NH1-OD2 2.77Å; R205-D237 PolarHBondContact NH1-OD2 3.29Å; R205-D237 IonicContact NH2-OD2 2.69Å; R205-D237 PolarHBondContact NH2-OD2 3.33Å; D237-T239 WeakPolarHBondContact O-CG2 3.01Å; D237-T239 PolarHBondContact O-N 3.08Å; D237-T239 PolarHBondContact O-OG1 3.31Å; D237-T239 PolarHBondContact OD1-N 3.05Å; D237-T239 PolarHBondContact OD1-OG1 3.44Å; D237-T240 PolarHBondContact OD1-N 3.15Å; D237-T240 PolarHBondContact OD1-OG1 3.23Å; D237-T240 WeakPolarHBondContact OD2-CB 3.2Å; D237-T240 PolarHBondContact OD2-OG1 3.02Å
238Q92.2Very high96.9Very high92 Ų9240.1 Ų40.143%0.4321%0.208SC..SBendtrans53.319179.8-53.5-61.4-33.500115K233 L234 A235K233-Q238 WeakPolarHBondContact CD-O 3.3Å; L234-Q238 VanDerWaalsContact O-CA 3.3Å; L234-Q238 WeakPolarHBondContact O-CA 3.45Å; L234-Q238 PolarHBondContact O-N 3.38Å; A235-Q238 VanDerWaalsContact CA-NE2 3.32Å; A235-Q238 PolarHBondContact O-NE2 2.68Å
239T95.4Very high96.9Very high104 Ų10440.7 Ų40.764%0.63821%0.211SC*.SBendtrans-130.6-44.7-174.748.60000111.9D237D237-T239 WeakPolarHBondContact O-CG2 3.01Å; D237-T239 PolarHBondContact O-N 3.08Å; D237-T239 PolarHBondContact O-OG1 3.31Å; D237-T239 PolarHBondContact OD1-N 3.05Å; D237-T239 PolarHBondContact OD1-OG1 3.44Å
240T97.1Very high96.9Very high36 Ų3640.3 Ų40.322%0.22121%0.209CC..SBendtrans-72.1129-179.5-550000110.5R205 K233 L234 D237 E245R205-T240 PolarHBondContact NH2-OG1 2.78Å; K233-T240 CarbonylContact C-O 3.58Å; K233-T240 VanDerWaalsContact CA-O 3.24Å; K233-T240 WeakPolarHBondContact CA-O 3.15Å; L234-T240 HydrophobicContact CD1-CG2 3.87Å; L234-T240 HydrophobicContact CG-CG2 4.38Å; L234-T240 PolarHBondContact N-O 2.9Å; D237-T240 PolarHBondContact OD1-N 3.15Å; D237-T240 PolarHBondContact OD1-OG1 3.23Å; D237-T240 WeakPolarHBondContact OD2-CB 3.2Å; D237-T240 PolarHBondContact OD2-OG1 3.02Å; T240-E245 HydrophobicContact CG2-CB 4.19Å
241N97.9Very high96.9Very high24 Ų2442.6 Ų42.613%0.12822%0.221CC..BIsolated β-bridgetrans-65.4132.8171.7179.5-71.3000110.7Y230 L232 M243 H244 E245Y230-N241 PolarHBondContact O-ND2 3.43Å; L232-N241 WeakPolarHBondContact O-CA 3.37Å; N241-M243 VanDerWaalsContact C-N 3.34Å; N241-M243 PolarHBondContact O-N 3.33Å; N241-M243 WeakPolarHBondContact OD1-CA 3.45Å; N241-M243 WeakPolarHBondContact OD1-CB 3.39Å; N241-M243 PolarHBondContact OD1-N 3.36Å; N241-H244 HydrophobicContact CB-CB 4.22Å; N241-H244 PolarHBondContact O-N 3.05Å; N241-H244 PolarHBondContact OD1-N 3.41Å; N241-E245 PolarHBondContact O-N 2.95Å
242R98Very high97Very high16 Ų1645.8 Ų45.86%0.0624%0.244CC..Hα-helixtrans-65.2-33-174.8-63.4-159.3178.9-165.9-1.3113.7E43 E229 L232 K233 L234 S246E43-R242 IonicContact OE2-CZ 3.84Å; E43-R242 IonicContact OE2-NH1 3.31Å; E43-R242 PolarHBondContact OE2-NH1 2.85Å; E43-R242 IonicContact OE2-NH2 3.77Å; E43-R242 PolarHBondContact OE2-NH2 3.12Å; E229-R242 HydrophobicContact CB-CB 3.93Å; E229-R242 IonicContact OE1-NH1 3.32Å; E229-R242 WeakPolarHBondContact OE2-CD 3.16Å; E229-R242 IonicContact OE2-CZ 3.51Å; E229-R242 IonicContact OE2-NE 2.75Å; E229-R242 IonicContact OE2-NH1 3.77Å; E229-R242 PolarHBondContact OE2-NH1 2.9Å; L232-R242 HydrophobicContact CB-CG 3.96Å; L232-R242 PolarHBondContact O-N 3.28Å; K233-R242 VanDerWaalsContact C-CG 3.47Å; K233-R242 PolarHBondContact O-NE 3.5Å; L234-R242 HydrophobicContact CD2-CB 4.48Å; L234-R242 HydrophobicContact CD2-CG 3.96Å; L234-R242 HydrophobicContact CG-CG 4.42Å; R242-S246 WeakPolarHBondContact O-CB 3.41Å; R242-S246 PolarHBondContact O-N 2.88Å
243M98.4Very high96.9Very high1 Ų145.5 Ų45.51%0.00524%0.243CC..Hα-helixtrans-71.1-40.6176.2-176.763.674.600111.7V225 N241 S246 L247 F287 I303 F307V225-M243 HydrophobicContact CG1-CE 4.21Å; V225-M243 HydrophobicContact CG1-SD 3.89Å; N241-M243 VanDerWaalsContact C-N 3.34Å; N241-M243 PolarHBondContact O-N 3.33Å; N241-M243 WeakPolarHBondContact OD1-CA 3.45Å; N241-M243 WeakPolarHBondContact OD1-CB 3.39Å; N241-M243 PolarHBondContact OD1-N 3.36Å; M243-S246 WeakPolarHBondContact O-CB 3.42Å; M243-S246 PolarHBondContact O-N 2.9Å; M243-S246 VanDerWaalsContact O-N 3.15Å; M243-L247 PolarHBondContact O-N 3.13Å; M243-F287 HydrophobicContact CG-CE2 4.1Å; M243-F287 HydrophobicContact CG-CZ 3.81Å; M243-I303 HydrophobicContact CE-CD1 4.29Å; M243-I303 HydrophobicContact CE-CG2 4.25Å; M243-I303 HydrophobicContact SD-CG2 4.42Å; M243-F307 HydrophobicContact SD-CE2 3.54Å; M243-F307 VanDerWaalsContact SD-CE2 3.54Å; M243-F307 HydrophobicContact SD-CZ 3.8Å
244H98.2Very high96.9Very high74 Ų7440 Ų4034%0.34322%0.219SC..Hα-helixtrans-62.4-41.7172.6-73142.4000112.4N241 S246 L247 Q248 C286N241-H244 HydrophobicContact CB-CB 4.22Å; N241-H244 PolarHBondContact O-N 3.05Å; N241-H244 PolarHBondContact OD1-N 3.41Å; H244-S246 VanDerWaalsContact C-N 3.28Å; H244-S246 PolarHBondContact O-N 2.9Å; H244-L247 PolarHBondContact O-N 3.11Å; H244-Q248 WeakPolarHBondContact O-CG 3.37Å; H244-Q248 PolarHBondContact O-N 3.38Å; H244-C286 PolarHBondContact CE1-O 3.01Å; H244-C286 PolarHBondContact NE2-O 2.83Å
245E98.1Very high97Very high7 Ų741 Ų413%0.03322%0.224CC..Hα-helixtrans-57.3-44.4171.6177.775.5175.900111R205 R208 L234 T240 N241 Q248 L249R205-E245 IonicContact CZ-OE1 2.78Å; R205-E245 IonicContact CZ-OE2 3.49Å; R205-E245 IonicContact NE-OE1 3.4Å; R205-E245 PolarHBondContact NE-OE1 3.45Å; R205-E245 IonicContact NE-OE2 2.74Å; R205-E245 IonicContact NH2-OE1 2.72Å; R205-E245 IonicContact NH2-OE2 3.47Å; R205-E245 PolarHBondContact NH2-OE2 2.97Å; R208-E245 IonicContact CZ-OE1 3.71Å; R208-E245 IonicContact NH1-OE1 2.75Å; R208-E245 PolarHBondContact NH1-OE1 3.46Å; R208-E245 IonicContact NH2-OE1 3.79Å; R208-E245 PolarHBondContact NH2-OE1 2.87Å; L234-E245 HydrophobicContact CD1-CB 4Å; L234-E245 HydrophobicContact CD1-CG 3.8Å; L234-E245 HydrophobicContact CD2-CB 4.15Å; L234-E245 HydrophobicContact CD2-CG 3.97Å; L234-E245 HydrophobicContact CG-CB 4.32Å; L234-E245 HydrophobicContact CG-CG 4.38Å; T240-E245 HydrophobicContact CG2-CB 4.19Å; N241-E245 PolarHBondContact O-N 2.95Å; E245-Q248 PolarHBondContact O-N 2.99Å; E245-L249 VanDerWaalsContact O-CB 3.25Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 2.97Å
246S98.5Very high97.1Very high5 Ų539.7 Ų39.74%0.03521%0.212CC..Hα-helixtrans-64.9-39.4179-168.10000112.4R242 M243 H244 L249 F250R242-S246 WeakPolarHBondContact O-CB 3.41Å; R242-S246 PolarHBondContact O-N 2.88Å; M243-S246 WeakPolarHBondContact O-CB 3.42Å; M243-S246 PolarHBondContact O-N 2.9Å; M243-S246 VanDerWaalsContact O-N 3.15Å; H244-S246 VanDerWaalsContact C-N 3.28Å; H244-S246 PolarHBondContact O-N 2.9Å; S246-L249 PolarHBondContact O-N 2.82Å; S246-F250 WeakPolarHBondContact O-CB 3.13Å; S246-F250 PolarHBondContact O-N 3.04Å
247L98.6Very high97.1Very high21 Ų2143.1 Ų43.111%0.1123%0.228CC..Hα-helixtrans-64.2-46.9174.8-81.2165.9000112M243 H244 L249 F250 D251 F287 K306 F307 V310M243-L247 PolarHBondContact O-N 3.13Å; H244-L247 PolarHBondContact O-N 3.11Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 3.41Å; L247-F250 PolarHBondContact O-N 3.43Å; L247-D251 PolarHBondContact O-N 2.64Å; L247-F287 HydrophobicContact CD1-CE1 3.75Å; L247-F287 HydrophobicContact CD1-CZ 3.81Å; L247-K306 HydrophobicContact CD2-CB 4.22Å; L247-F307 HydrophobicContact CD2-CD1 3.82Å; L247-F307 HydrophobicContact CD2-CD2 3.75Å; L247-F307 HydrophobicContact CD2-CE1 3.8Å; L247-F307 HydrophobicContact CD2-CE2 3.73Å; L247-F307 HydrophobicContact CD2-CG 3.78Å; L247-F307 HydrophobicContact CD2-CZ 3.75Å; L247-F307 HydrophobicContact CG-CD2 4.47Å; L247-F307 HydrophobicContact CG-CE1 4.08Å; L247-F307 HydrophobicContact CG-CE2 3.94Å; L247-F307 HydrophobicContact CG-CZ 3.72Å; L247-V310 HydrophobicContact CD2-CG2 4.16Å
248Q98.2Very high97.1Very high120 Ų12047.8 Ų47.856%0.56124%0.242SC*.Hα-helixtrans-61.9-40.4177.2-72.3179.1-3.800112H244 E245 D251 S252H244-Q248 WeakPolarHBondContact O-CG 3.37Å; H244-Q248 PolarHBondContact O-N 3.38Å; E245-Q248 PolarHBondContact O-N 2.99Å; Q248-D251 PolarHBondContact O-N 3.14Å; Q248-S252 PolarHBondContact O-N 3.42Å; Q248-S252 VanDerWaalsContact O-N 3.12Å; Q248-S252 PolarHBondContact O-OG 3.26Å
249L97.9Very high97.2Very high13 Ų1343.4 Ų43.47%0.06822%0.222CC..Hα-helixtrans-64.3-44.1175-17664.7000111.2A41 W211 F223 E245 S246 L247 S252 I253A41-L249 HydrophobicContact CB-CD2 4.47Å; W211-L249 HydrophobicContact CH2-CD1 3.72Å; W211-L249 HydrophobicContact CH2-CD2 3.68Å; W211-L249 HydrophobicContact CH2-CG 4.1Å; W211-L249 HydrophobicContact CZ3-CD1 3.55Å; W211-L249 HydrophobicContact CZ3-CD2 4.27Å; W211-L249 HydrophobicContact CZ3-CG 4.2Å; F223-L249 HydrophobicContact CE2-CD2 4.13Å; F223-L249 HydrophobicContact CE2-CG 3.92Å; F223-L249 HydrophobicContact CZ-CB 4.11Å; F223-L249 HydrophobicContact CZ-CD2 3.82Å; F223-L249 HydrophobicContact CZ-CG 3.79Å; E245-L249 VanDerWaalsContact O-CB 3.25Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 2.97Å; S246-L249 PolarHBondContact O-N 2.82Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 3.41Å; L249-S252 WeakPolarHBondContact O-CB 3.46Å; L249-S252 PolarHBondContact O-N 3.4Å; L249-I253 WeakPolarHBondContact O-CG1 3.39Å; L249-I253 PolarHBondContact O-N 2.75Å; L249-I253 VanDerWaalsContact O-N 3.12Å
250F98.4Very high97.1Very high0 Ų041.6 Ų41.60%021%0.21CC..Hα-helixtrans-63.7-41.4177.2-173.4-110.6000112F223 S246 L247 S252 I253 C254 I264 L266 F307 V310 I319F223-F250 HydrophobicContact CB-CD2 4.11Å; F223-F250 HydrophobicContact CB-CE2 4.09Å; F223-F250 HydrophobicContact CD1-CB 4.38Å; F223-F250 AromaticContact CD1-CD2 3.49Å; F223-F250 HydrophobicContact CD1-CD2 3.49Å; F223-F250 VanDerWaalsContact CD1-CD2 3.49Å; F223-F250 HydrophobicContact CD1-CE2 4.2Å; F223-F250 HydrophobicContact CD1-CG 4.33Å; F223-F250 AromaticContact CD2-CD2 3.9Å; F223-F250 HydrophobicContact CD2-CD2 3.9Å; F223-F250 HydrophobicContact CE1-CB 3.78Å; F223-F250 AromaticContact CE1-CD2 3.78Å; F223-F250 HydrophobicContact CE1-CD2 3.78Å; F223-F250 HydrophobicContact CE1-CG 4.22Å; F223-F250 HydrophobicContact CE2-CB 4.34Å; F223-F250 HydrophobicContact CE2-CD2 4.16Å; F223-F250 AromaticContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CD2 3.55Å; F223-F250 HydrophobicContact CG-CE2 4.05Å; F223-F250 HydrophobicContact CZ-CB 3.75Å; F223-F250 HydrophobicContact CZ-CD2 4.1Å; F223-F250 HydrophobicContact CZ-CG 4.45Å; S246-F250 WeakPolarHBondContact O-CB 3.13Å; S246-F250 PolarHBondContact O-N 3.04Å; L247-F250 PolarHBondContact O-N 3.43Å; F250-S252 VanDerWaalsContact C-N 3.32Å; F250-S252 PolarHBondContact O-N 3.47Å; F250-I253 PolarHBondContact O-N 2.74Å; F250-C254 HydrophobicContact CD1-CB 4.26Å; F250-C254 HydrophobicContact CE1-CB 3.97Å; F250-C254 HydrophobicContact CE2-CB 4.34Å; F250-C254 HydrophobicContact CZ-CB 4.03Å; F250-C254 WeakPolarHBondContact O-CB 3.35Å; F250-C254 PolarHBondContact O-N 3.35Å; F250-I264 HydrophobicContact CE2-CG2 3.96Å; F250-I264 HydrophobicContact CZ-CG2 4.32Å; F250-L266 HydrophobicContact CD2-CD1 4.38Å; F250-L266 HydrophobicContact CE2-CD1 4.11Å; F250-F307 HydrophobicContact CB-CD1 3.78Å; F250-F307 HydrophobicContact CB-CE1 3.8Å; F250-F307 HydrophobicContact CD1-CB 4.37Å; F250-F307 AromaticContact CD1-CD1 3.69Å; F250-F307 HydrophobicContact CD1-CD1 3.69Å; F250-F307 HydrophobicContact CD2-CD1 4.45Å; F250-F307 HydrophobicContact CE1-CB 4.39Å; F250-F307 HydrophobicContact CE1-CD1 4.4Å; F250-F307 WeakPolarHBondContact CE1-O 3.28Å; F250-F307 AromaticContact CG-CD1 3.71Å; F250-F307 HydrophobicContact CG-CD1 3.71Å; F250-F307 HydrophobicContact CG-CE1 4.22Å; F250-V310 HydrophobicContact CD1-CB 4.15Å; F250-V310 HydrophobicContact CD1-CG1 4.01Å; F250-I319 HydrophobicContact CZ-CD1 4.23Å; F250-I319 HydrophobicContact CZ-CG1 4.37Å; F250-I319 HydrophobicContact CZ-CG2 4.04Å
251D98.3Very high96.7Very high48 Ų4848.6 Ų48.626%0.25724%0.241SC..Hα-helixtrans-55.3-48.7174.1-175.821000111.5L247 Q248 I253 N255 V310 R312L247-D251 PolarHBondContact O-N 2.64Å; Q248-D251 PolarHBondContact O-N 3.14Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-I253 PolarHBondContact O-N 2.92Å; D251-N255 WeakPolarHBondContact O-CB 3.26Å; D251-N255 PolarHBondContact O-N 3.26Å; D251-N255 PolarHBondContact O-ND2 2.92Å; D251-N255 PolarHBondContact OD1-ND2 2.93Å; D251-V310 HydrophobicContact CB-CG1 3.37Å; D251-R312 VanDerWaalsContact CG-NH2 3.27Å; D251-R312 IonicContact OD1-CZ 2.73Å; D251-R312 IonicContact OD1-NE 3.12Å; D251-R312 IonicContact OD1-NH2 2.67Å; D251-R312 PolarHBondContact OD1-NH2 3.13Å; D251-R312 IonicContact OD2-NH2 3.04Å; D251-R312 PolarHBondContact OD2-NH2 3.16Å
252S97.4Very high96.4Very high81 Ų8148.3 Ų48.357%0.56624%0.24SC*.Hα-helixtrans-59.8-39.6179.8-56.90000112.5Q248 L249 F250 S256Q248-S252 PolarHBondContact O-N 3.42Å; Q248-S252 VanDerWaalsContact O-N 3.12Å; Q248-S252 PolarHBondContact O-OG 3.26Å; L249-S252 WeakPolarHBondContact O-CB 3.46Å; L249-S252 PolarHBondContact O-N 3.4Å; F250-S252 VanDerWaalsContact C-N 3.32Å; F250-S252 PolarHBondContact O-N 3.47Å; S252-S256 WeakPolarHBondContact O-CB 3.3Å; S252-S256 PolarHBondContact O-N 3.01Å
253I97Very high96.1Very high10 Ų1048.3 Ų48.35%0.05124%0.242CC..Hα-helixtrans-79.9-51.6-179.6-64.2-55.6000111.4L39 W211 F215 I221 F223 L249 F250 D251 N255 S256 F259L39-I253 HydrophobicContact CD1-CD1 3.75Å; L39-I253 HydrophobicContact CD1-CG1 3.99Å; L39-I253 HydrophobicContact CD1-CG2 3.83Å; W211-I253 HydrophobicContact CE3-CD1 4.22Å; W211-I253 HydrophobicContact CZ3-CD1 4.13Å; W211-I253 HydrophobicContact CZ3-CG1 4.38Å; F215-I253 HydrophobicContact CZ-CD1 4.06Å; I221-I253 HydrophobicContact CD1-CG2 3.9Å; I221-I253 HydrophobicContact CG2-CG2 4.33Å; F223-I253 HydrophobicContact CD2-CB 4.4Å; F223-I253 HydrophobicContact CD2-CG1 4.41Å; F223-I253 HydrophobicContact CD2-CG2 4.33Å; F223-I253 HydrophobicContact CE2-CB 4.33Å; F223-I253 HydrophobicContact CE2-CG1 4.04Å; L249-I253 WeakPolarHBondContact O-CG1 3.39Å; L249-I253 PolarHBondContact O-N 2.75Å; L249-I253 VanDerWaalsContact O-N 3.12Å; F250-I253 PolarHBondContact O-N 2.74Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-I253 PolarHBondContact O-N 2.92Å; I253-N255 PolarHBondContact O-N 3.2Å; I253-S256 VanDerWaalsContact O-CB 3.27Å; I253-S256 WeakPolarHBondContact O-CB 3.25Å; I253-S256 PolarHBondContact O-N 3.18Å; I253-S256 VanDerWaalsContact O-N 3.12Å; I253-F259 HydrophobicContact CD1-CE2 4.18Å; I253-F259 HydrophobicContact CG2-CD2 4.04Å; I253-F259 HydrophobicContact CG2-CE2 4.09Å
254C96.9Very high95.9Very high0 Ų048.3 Ų48.30%024%0.242CC..Hα-helixtrans-59-37.4-175.9-177.90000112F250 I264 R313F250-C254 HydrophobicContact CD1-CB 4.26Å; F250-C254 HydrophobicContact CE1-CB 3.97Å; F250-C254 HydrophobicContact CE2-CB 4.34Å; F250-C254 HydrophobicContact CZ-CB 4.03Å; F250-C254 WeakPolarHBondContact O-CB 3.35Å; F250-C254 PolarHBondContact O-N 3.35Å; C254-I264 HydrophobicContact CB-CD1 4.23Å; C254-R313 PolarHBondContact O-NH2 3.24Å
255N97Very high95.8Very high29 Ų2944.8 Ų44.816%0.15523%0.226CC..THydrogen-bonded Turntrans-100.27.2-178.6-61.3-53.2000113.6D251 I253 V310 R312D251-N255 WeakPolarHBondContact O-CB 3.26Å; D251-N255 PolarHBondContact O-N 3.26Å; D251-N255 PolarHBondContact O-ND2 2.92Å; D251-N255 PolarHBondContact OD1-ND2 2.93Å; I253-N255 PolarHBondContact O-N 3.2Å; N255-V310 PolarHBondContact ND2-O 2.89Å; N255-R312 PolarHBondContact ND2-NE 3.45Å; N255-R312 PolarHBondContact OD1-N 3.44Å; N255-R312 VanDerWaalsContact OD1-N 3.08Å
256S95.5Very high95.8Very high21 Ų2144.4 Ų44.415%0.14722%0.224CC..  trans-62148175.5-177.60000112.2S252 I253 W258 F259 R313S252-S256 WeakPolarHBondContact O-CB 3.3Å; S252-S256 PolarHBondContact O-N 3.01Å; I253-S256 VanDerWaalsContact O-CB 3.27Å; I253-S256 WeakPolarHBondContact O-CB 3.25Å; I253-S256 PolarHBondContact O-N 3.18Å; I253-S256 VanDerWaalsContact O-N 3.12Å; S256-W258 VanDerWaalsContact C-N 3.32Å; S256-W258 PolarHBondContact OG-N 3.23Å; S256-W258 VanDerWaalsContact OG-N 3.14Å; S256-F259 PolarHBondContact O-N 2.96Å; S256-R313 PolarHBondContact O-NH2 3.01Å
257Q94.8Very high95.8Very high156 Ų15644.2 Ų44.273%0.72922%0.223SC*.G310 helixtrans-74.6-22.1170.8-62.9-60.8-19.600112.6F259 V260Q257-F259 PolarHBondContact O-N 3.4Å; Q257-V260 WeakPolarHBondContact O-CG2 3.5Å
258W94.9Very high95.8Very high146 Ų14643.2 Ų43.255%0.55322%0.217SC*.G310 helixtrans-65.6-22.7173.8-72.197.9000112.9L212 F215 S256L212-W258 HydrophobicContact CD1-CZ2 3.79Å; F215-W258 HydrophobicContact CB-CB 4.45Å; F215-W258 HydrophobicContact CB-CD2 4.15Å; F215-W258 HydrophobicContact CB-CE3 4.06Å; F215-W258 HydrophobicContact CB-CG 4.34Å; F215-W258 HydrophobicContact CD2-CB 3.92Å; F215-W258 AromaticContact CD2-CD1 3.82Å; F215-W258 HydrophobicContact CD2-CD2 4.16Å; F215-W258 AromaticContact CD2-CG 3.68Å; F215-W258 HydrophobicContact CD2-CG 3.68Å; F215-W258 HydrophobicContact CG-CG 4.49Å; S256-W258 VanDerWaalsContact C-N 3.32Å; S256-W258 PolarHBondContact OG-N 3.23Å; S256-W258 VanDerWaalsContact OG-N 3.14Å
259F94.8Very high95.8Very high0 Ų037.7 Ų37.70%019%0.192CC..G310 helixtrans-125.232.7-168.1-54-48.1000112L37 F215 V218 I221 I253 S256 Q257 E261 T262 K317L37-F259 HydrophobicContact CD2-CZ 4.17Å; F215-F259 HydrophobicContact CB-CE1 4.2Å; F215-F259 HydrophobicContact CB-CZ 4.12Å; F215-F259 HydrophobicContact CD1-CE1 4.23Å; F215-F259 HydrophobicContact CD1-CE2 4.34Å; F215-F259 AromaticContact CD1-CZ 3.45Å; F215-F259 HydrophobicContact CD1-CZ 3.45Å; F215-F259 VanDerWaalsContact CD1-CZ 3.45Å; F215-F259 HydrophobicContact CD2-CE1 4.4Å; F215-F259 HydrophobicContact CD2-CE2 4.04Å; F215-F259 AromaticContact CD2-CZ 3.63Å; F215-F259 HydrophobicContact CD2-CZ 3.63Å; F215-F259 HydrophobicContact CE1-CE2 4.07Å; F215-F259 AromaticContact CE1-CZ 3.57Å; F215-F259 HydrophobicContact CE1-CZ 3.57Å; F215-F259 AromaticContact CE2-CE2 3.77Å; F215-F259 HydrophobicContact CE2-CE2 3.77Å; F215-F259 AromaticContact CE2-CZ 3.76Å; F215-F259 HydrophobicContact CE2-CZ 3.76Å; F215-F259 HydrophobicContact CG-CE1 4.05Å; F215-F259 HydrophobicContact CG-CE2 4.31Å; F215-F259 AromaticContact CG-CZ 3.46Å; F215-F259 HydrophobicContact CG-CZ 3.46Å; F215-F259 VanDerWaalsContact CG-CZ 3.46Å; F215-F259 AromaticContact CZ-CE2 3.78Å; F215-F259 HydrophobicContact CZ-CE2 3.78Å; F215-F259 AromaticContact CZ-CZ 3.73Å; F215-F259 HydrophobicContact CZ-CZ 3.73Å; V218-F259 HydrophobicContact CB-CE1 4.42Å; V218-F259 HydrophobicContact CG2-CE1 4.32Å; I221-F259 HydrophobicContact CD1-CB 3.99Å; I221-F259 HydrophobicContact CD1-CD1 3.58Å; I221-F259 HydrophobicContact CD1-CD2 3.45Å; I221-F259 VanDerWaalsContact CD1-CD2 3.45Å; I221-F259 HydrophobicContact CD1-CE1 3.79Å; I221-F259 HydrophobicContact CD1-CE2 3.68Å; I221-F259 HydrophobicContact CD1-CG 3.39Å; I221-F259 HydrophobicContact CD1-CZ 3.81Å; I221-F259 HydrophobicContact CG1-CD1 4.5Å; I221-F259 HydrophobicContact CG1-CE1 4.45Å; I253-F259 HydrophobicContact CD1-CE2 4.18Å; I253-F259 HydrophobicContact CG2-CD2 4.04Å; I253-F259 HydrophobicContact CG2-CE2 4.09Å; S256-F259 PolarHBondContact O-N 2.96Å; Q257-F259 PolarHBondContact O-N 3.4Å; F259-E261 VanDerWaalsContact C-N 3.34Å; F259-E261 PolarHBondContact O-N 3.04Å; F259-T262 HydrophobicContact CD1-CG2 4.35Å; F259-K317 PolarHBondContact O-NZ 3.02Å
260V92.5Very high95.8Very high65 Ų6538.1 Ų38.139%0.39419%0.193SC..SBendtrans-59.1-49.4180-177.20000110.6Q257Q257-V260 WeakPolarHBondContact O-CG2 3.5Å
261E88.8Confident95.8Very high184 Ų18440.8 Ų40.886%0.8621%0.205SC*.SBendtrans-95.8-8.7-176.3-61.3179.4165.200112.9F259 S263F259-E261 VanDerWaalsContact C-N 3.34Å; F259-E261 PolarHBondContact O-N 3.04Å; E261-S263 PolarHBondContact O-N 3.3Å
262T92.1Very high95.8Very high17 Ų1740.8 Ų40.810%0.10421%0.205CC..  trans-73.4126.1-179.5-50.70000111.7V218 I221 F259 K317V218-T262 HydrophobicContact CB-CG2 4.33Å; V218-T262 HydrophobicContact CG1-CG2 3.83Å; I221-T262 HydrophobicContact CD1-CG2 4.11Å; I221-T262 HydrophobicContact CG1-CG2 4.02Å; F259-T262 HydrophobicContact CD1-CG2 4.35Å; T262-K317 VanDerWaalsContact O-CE 3.25Å; T262-K317 WeakPolarHBondContact O-CE 3.3Å; T262-K317 PolarHBondContact O-NZ 3Å
263S91.6Very high95.8Very high17 Ų1738.8 Ų38.812%0.11919%0.188CC..EExtended strand (participates in β ladder)trans-61.1136.7171.5-77.30000111.4A220 I221 E261 S346A220-S263 CarbonylContact C-O 3.57Å; A220-S263 WeakPolarHBondContact CA-O 3.16Å; I221-S263 PolarHBondContact N-O 3.38Å; E261-S263 PolarHBondContact O-N 3.3Å; S263-S346 PolarHBondContact OG-OG 3.47Å
264I95.3Very high95.9Very high0 Ų038.3 Ų38.30%019%0.185CC..EExtended strand (participates in β ladder)trans-119.3122.8178.2-61.2-174.1000109.4I221 F250 C254 K317 I319 Y320I221-I264 HydrophobicContact CB-CG1 4.32Å; I221-I264 HydrophobicContact CD1-CD1 4.49Å; I221-I264 HydrophobicContact CD1-CG1 4.33Å; F250-I264 HydrophobicContact CE2-CG2 3.96Å; F250-I264 HydrophobicContact CZ-CG2 4.32Å; C254-I264 HydrophobicContact CB-CD1 4.23Å; I264-K317 VanDerWaalsContact CD1-CE 3.44Å; I264-I319 HydrophobicContact CB-CD1 3.75Å; I264-I319 HydrophobicContact CD1-CD1 4.28Å; I264-I319 HydrophobicContact CG1-CD1 4.47Å; I264-I319 HydrophobicContact CG2-CD1 3.96Å; I264-I319 HydrophobicContact CG2-CG2 4.48Å; I264-Y320 PolarHBondContact O-N 2.95Å
265I96.1Very high95.9Very high0 Ų039.7 Ų39.70%020%0.196CC..EExtended strand (participates in β ladder)trans-102.9128.3168.7-57.7103.2000108.2A220 I221 L222 F223 F267 Y320 V339A220-I265 HydrophobicContact CB-CD1 3.86Å; I221-I265 PolarHBondContact O-N 3.44Å; L222-I265 HydrophobicContact CD1-CB 3.89Å; L222-I265 HydrophobicContact CD1-CG2 3.66Å; F223-I265 PolarHBondContact N-O 3.2Å; I265-F267 HydrophobicContact CG2-CD1 3.86Å; I265-F267 HydrophobicContact CG2-CE1 3.64Å; I265-Y320 CarbonylContact C-O 3.58Å; I265-Y320 WeakPolarHBondContact CA-O 3.24Å; I265-Y320 WeakPolarHBondContact CG2-O 3.47Å; I265-V339 HydrophobicContact CB-CG2 4.4Å; I265-V339 HydrophobicContact CD1-CG1 3.76Å; I265-V339 HydrophobicContact CG1-CG1 3.96Å; I265-V339 HydrophobicContact CG1-CG2 4.13Å; I265-V339 HydrophobicContact CG2-CG2 3.57Å
266L97.8Very high95.9Very high0 Ų044.3 Ų44.30%022%0.217CC..EExtended strand (participates in β ladder)trans-105114.6178.1176.763.2000110F223 V225 F250 L268 F307 I319 Y320 T321 H322F223-L266 HydrophobicContact CD1-CD1 4Å; F223-L266 WeakPolarHBondContact O-CA 3.38Å; V225-L266 HydrophobicContact CG2-CD1 3.67Å; F250-L266 HydrophobicContact CD2-CD1 4.38Å; F250-L266 HydrophobicContact CE2-CD1 4.11Å; L266-L268 HydrophobicContact CD1-CD2 4.3Å; L266-L268 HydrophobicContact CD2-CD2 4.09Å; L266-L268 HydrophobicContact CD2-CG 4.45Å; L266-L268 HydrophobicContact CG-CD2 4.08Å; L266-L268 HydrophobicContact CG-CG 4.32Å; L266-F307 HydrophobicContact CD1-CD1 4.32Å; L266-F307 HydrophobicContact CD2-CB 3.5Å; L266-F307 HydrophobicContact CD2-CG 4.12Å; L266-I319 HydrophobicContact CB-CG2 3.67Å; L266-I319 HydrophobicContact CD2-CG2 4.27Å; L266-Y320 PolarHBondContact N-O 3.28Å; L266-T321 HydrophobicContact CB-CG2 4.25Å; L266-T321 HydrophobicContact CD2-CG2 3.85Å; L266-T321 HydrophobicContact CG-CG2 4.05Å; L266-T321 CarbonylContact O-C 3.44Å; L266-T321 WeakPolarHBondContact O-CA 3.43Å; L266-H322 PolarHBondContact O-N 3.47Å
267F98.3Very high96Very high0 Ų045.4 Ų45.40%022%0.219CC..EExtended strand (participates in β ladder)trans-94.3112.4169.9-8213.9000110V49 L222 F223 I224 V225 I265 N269 H322 T324 I332 V335 F336 V339V49-F267 HydrophobicContact CG1-CE2 4.23Å; V49-F267 HydrophobicContact CG2-CD2 4.3Å; V49-F267 HydrophobicContact CG2-CE2 4.42Å; L222-F267 HydrophobicContact CD1-CB 4.43Å; L222-F267 HydrophobicContact CD1-CD1 3.45Å; L222-F267 VanDerWaalsContact CD1-CD1 3.45Å; L222-F267 HydrophobicContact CD1-CD2 3.85Å; L222-F267 HydrophobicContact CD1-CE1 3.43Å; L222-F267 VanDerWaalsContact CD1-CE1 3.43Å; L222-F267 HydrophobicContact CD1-CE2 3.85Å; L222-F267 HydrophobicContact CD1-CG 3.64Å; L222-F267 HydrophobicContact CD1-CZ 3.63Å; L222-F267 HydrophobicContact CD2-CD2 4.14Å; L222-F267 HydrophobicContact CD2-CE2 3.75Å; L222-F267 HydrophobicContact CD2-CZ 4.01Å; L222-F267 HydrophobicContact CG-CD2 4.32Å; L222-F267 HydrophobicContact CG-CE2 4.32Å; L222-F267 HydrophobicContact CG-CG 4.48Å; L222-F267 HydrophobicContact CG-CZ 4.47Å; F223-F267 PolarHBondContact O-N 3.3Å; I224-F267 HydrophobicContact CB-CB 4.43Å; I224-F267 HydrophobicContact CG1-CB 4.16Å; I224-F267 HydrophobicContact CG1-CD2 4.47Å; I224-F267 HydrophobicContact CG2-CB 4.26Å; V225-F267 PolarHBondContact N-O 3.42Å; I265-F267 HydrophobicContact CG2-CD1 3.86Å; I265-F267 HydrophobicContact CG2-CE1 3.64Å; F267-N269 PolarHBondContact O-N 3.36Å; F267-H322 WeakPolarHBondContact CA-O 2.94Å; F267-H322 HydrophobicContact CD1-CB 4.14Å; F267-H322 HydrophobicContact CE1-CB 4.27Å; F267-T324 HydrophobicContact CB-CG2 4.25Å; F267-T324 HydrophobicContact CD1-CG2 3.9Å; F267-T324 HydrophobicContact CD2-CG2 3.74Å; F267-T324 HydrophobicContact CE1-CG2 4.19Å; F267-T324 HydrophobicContact CE2-CG2 4.02Å; F267-T324 HydrophobicContact CG-CG2 3.69Å; F267-T324 HydrophobicContact CZ-CG2 4.26Å; F267-I332 HydrophobicContact CE2-CD1 4.43Å; F267-V335 HydrophobicContact CD1-CG1 4.16Å; F267-V335 HydrophobicContact CE1-CG1 3.23Å; F267-V335 HydrophobicContact CE2-CG1 4.28Å; F267-V335 HydrophobicContact CZ-CB 4.46Å; F267-V335 HydrophobicContact CZ-CG1 3.32Å; F267-F336 HydrophobicContact CE2-CZ 4.5Å; F267-F336 HydrophobicContact CZ-CE1 4.48Å; F267-V339 HydrophobicContact CE1-CG2 3.96Å; F267-V339 HydrophobicContact CZ-CG2 4.28Å
268L98.7Very high96.1Very high0 Ų038 Ų380%019%0.185CC..EExtended strand (participates in β ladder)trans-86.385.7165.6-59.8179.8000107.4V225 M227 L266 I303 R304 F307 T321 H322 F323 T324V225-L268 HydrophobicContact CB-CD2 4.03Å; V225-L268 HydrophobicContact CG1-CD2 4.34Å; V225-L268 HydrophobicContact CG2-CD2 4.25Å; M227-L268 HydrophobicContact CG-CB 3.85Å; M227-L268 HydrophobicContact SD-CB 3.65Å; L266-L268 HydrophobicContact CD1-CD2 4.3Å; L266-L268 HydrophobicContact CD2-CD2 4.09Å; L266-L268 HydrophobicContact CD2-CG 4.45Å; L266-L268 HydrophobicContact CG-CD2 4.08Å; L266-L268 HydrophobicContact CG-CG 4.32Å; L268-I303 HydrophobicContact CD2-CG2 4.35Å; L268-R304 HydrophobicContact CD1-CB 3.64Å; L268-R304 HydrophobicContact CD1-CG 4.22Å; L268-F307 HydrophobicContact CD2-CD2 4.22Å; L268-T321 HydrophobicContact CD1-CG2 3.57Å; L268-T321 HydrophobicContact CG-CG2 3.81Å; L268-H322 PolarHBondContact N-O 3Å; L268-F323 HydrophobicContact CB-CD1 3.72Å; L268-F323 HydrophobicContact CB-CE1 4.03Å; L268-F323 HydrophobicContact CD1-CD1 3.93Å; L268-F323 HydrophobicContact CD1-CE1 3.4Å; L268-F323 HydrophobicContact CD1-CZ 3.95Å; L268-F323 HydrophobicContact CG-CD1 4.47Å; L268-F323 HydrophobicContact CG-CE1 4.36Å; L268-F323 CarbonylContact O-C 3.49Å; L268-F323 WeakPolarHBondContact O-CA 3.31Å; L268-T324 PolarHBondContact O-N 2.88Å
269N98.5Very high96.1Very high4 Ų437.6 Ų37.62%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-88.7167.9-169.9-171.236.3000113.2C44 I224 V225 M227 F267 K271 T324 A326C44-N269 PolarHBondContact O-ND2 2.97Å; I224-N269 HydrophobicContact CG2-CB 3.71Å; V225-N269 WeakPolarHBondContact O-CA 3.38Å; V225-N269 WeakPolarHBondContact O-CB 3.39Å; V225-N269 PolarHBondContact O-N 2.94Å; M227-N269 WeakPolarHBondContact CB-O 3.19Å; M227-N269 WeakPolarHBondContact CG-O 3.32Å; M227-N269 PolarHBondContact N-O 3.47Å; F267-N269 PolarHBondContact O-N 3.36Å; N269-K271 VanDerWaalsContact C-N 3.25Å; N269-K271 PolarHBondContact O-N 3.28Å; N269-T324 CarbonylContact C-O 3.19Å; N269-T324 VanDerWaalsContact CA-O 3.3Å; N269-T324 WeakPolarHBondContact CA-O 3.49Å; N269-T324 WeakPolarHBondContact CA-OG1 3.08Å; N269-T324 VanDerWaalsContact CB-OG1 3.31Å; N269-T324 WeakPolarHBondContact CB-OG1 3.48Å; N269-T324 PolarHBondContact OD1-O 3.48Å; N269-T324 PolarHBondContact OD1-OG1 3.44Å; N269-A326 PolarHBondContact OD1-N 2.81Å
270K98Very high96.2Very high23 Ų2346.2 Ų46.210%0.123%0.226CC..  trans59.437.4-176-50.9-175.9-172.5174.70111.6E43 D150 A226 S228 E229 D272 L273 F274 T324E43-K270 WeakPolarHBondContact O-CE 3.44Å; E43-K270 PolarHBondContact O-NZ 2.91Å; D150-K270 WeakPolarHBondContact OD2-CD 3.46Å; D150-K270 WeakPolarHBondContact OD2-CE 2.99Å; D150-K270 IonicContact OD2-NZ 3.39Å; D150-K270 PolarHBondContact OD2-NZ 3.35Å; A226-K270 HydrophobicContact CB-CD 3.72Å; A226-K270 HydrophobicContact CB-CG 4.29Å; S228-K270 WeakPolarHBondContact OG-CD 3.3Å; E229-K270 IonicContact OE1-NZ 2.73Å; E229-K270 PolarHBondContact OE1-NZ 3.08Å; K270-D272 VanDerWaalsContact C-OD1 3.3Å; K270-D272 WeakPolarHBondContact CA-OD1 3.49Å; K270-D272 PolarHBondContact O-N 3.37Å; K270-L273 HydrophobicContact CB-CB 4.39Å; K270-L273 HydrophobicContact CB-CD1 4.37Å; K270-L273 HydrophobicContact CD-CD1 4.25Å; K270-L273 PolarHBondContact O-N 2.91Å; K270-F274 WeakPolarHBondContact O-CB 3.24Å; K270-F274 PolarHBondContact O-N 2.8Å; K270-T324 PolarHBondContact N-O 2.76Å
271K98Very high96.3Very high56 Ų5643.3 Ų43.324%0.24321%0.209CC..Hα-helixtrans-59.1-31.2179.675.3179.2-175.3177.70112.4M227 N269 A275 Y296 F323 T324 C325 N331M227-K271 HydrophobicContact SD-CB 4.38Å; N269-K271 VanDerWaalsContact C-N 3.25Å; N269-K271 PolarHBondContact O-N 3.28Å; K271-A275 WeakPolarHBondContact O-CB 3.42Å; K271-A275 PolarHBondContact O-N 2.72Å; K271-Y296 HydrophobicContact CB-CE2 4.08Å; K271-F323 HydrophobicContact CD-CB 4.1Å; K271-T324 WeakPolarHBondContact CG-O 3.29Å; K271-T324 PolarHBondContact N-O 3.39Å; K271-T324 VanDerWaalsContact N-O 3.1Å; K271-C325 HydrophobicContact CG-CB 4.3Å; K271-N331 PolarHBondContact NZ-ND2 2.98Å
272D97.3Very high96.7Very high47 Ų4736.9 Ų36.925%0.25118%0.183SC..Hα-helixtrans-62.6-55.3175.554.9-50.7000111K270 F274 A275 E276 C325K270-D272 VanDerWaalsContact C-OD1 3.3Å; K270-D272 WeakPolarHBondContact CA-OD1 3.49Å; K270-D272 PolarHBondContact O-N 3.37Å; D272-F274 VanDerWaalsContact C-N 3.27Å; D272-F274 PolarHBondContact O-N 3.19Å; D272-A275 PolarHBondContact O-N 3.25Å; D272-E276 PolarHBondContact O-N 3.27Å; D272-C325 PolarHBondContact OD1-SG 3.26Å
273L97.7Very high97Very high40 Ų4036.2 Ų36.221%0.20918%0.179CC..Hα-helixtrans-65.2-33.9177.6-58.9-178.3000111.8D150 K270 K277D150-L273 HydrophobicContact CB-CD1 3.67Å; K270-L273 HydrophobicContact CB-CB 4.39Å; K270-L273 HydrophobicContact CB-CD1 4.37Å; K270-L273 HydrophobicContact CD-CD1 4.25Å; K270-L273 PolarHBondContact O-N 2.91Å; L273-K277 WeakPolarHBondContact O-CB 3.3Å; L273-K277 PolarHBondContact O-N 3.06Å
274F98.4Very high97.3Very high0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-64.3-44.9173.9178.1-103000111.8M227 Y230 K270 D272 E276 K277 I278 Y296 A299 I303M227-F274 HydrophobicContact CB-CB 3.75Å; M227-F274 HydrophobicContact CB-CD2 3.97Å; M227-F274 HydrophobicContact CB-CG 3.83Å; M227-F274 HydrophobicContact CE-CD1 3.64Å; M227-F274 HydrophobicContact CE-CE1 3.75Å; M227-F274 HydrophobicContact CE-CG 4.06Å; M227-F274 HydrophobicContact CE-CZ 4.24Å; M227-F274 WeakPolarHBondContact O-CD2 3.5Å; Y230-F274 AromaticContact CD1-CD2 3.79Å; Y230-F274 HydrophobicContact CD1-CD2 3.79Å; Y230-F274 AromaticContact CD1-CE2 3.76Å; Y230-F274 HydrophobicContact CD1-CE2 3.76Å; Y230-F274 AromaticContact CE1-CD2 3.7Å; Y230-F274 HydrophobicContact CE1-CD2 3.7Å; Y230-F274 AromaticContact CE1-CE2 3.73Å; Y230-F274 HydrophobicContact CE1-CE2 3.73Å; K270-F274 WeakPolarHBondContact O-CB 3.24Å; K270-F274 PolarHBondContact O-N 2.8Å; D272-F274 VanDerWaalsContact C-N 3.27Å; D272-F274 PolarHBondContact O-N 3.19Å; F274-E276 VanDerWaalsContact C-N 3.3Å; F274-E276 PolarHBondContact O-N 3.15Å; F274-K277 PolarHBondContact O-N 3.04Å; F274-I278 HydrophobicContact CE1-CB 4.47Å; F274-I278 HydrophobicContact CE2-CB 4.41Å; F274-I278 HydrophobicContact CE2-CD1 4.31Å; F274-I278 HydrophobicContact CZ-CB 4.25Å; F274-I278 HydrophobicContact CZ-CD1 4.18Å; F274-I278 HydrophobicContact CZ-CG1 4.2Å; F274-I278 WeakPolarHBondContact O-CB 3.37Å; F274-I278 WeakPolarHBondContact O-CG2 3.47Å; F274-I278 PolarHBondContact O-N 2.85Å; F274-Y296 AromaticContact CD1-CD2 3.67Å; F274-Y296 HydrophobicContact CD1-CD2 3.67Å; F274-Y296 AromaticContact CD1-CE2 3.89Å; F274-Y296 HydrophobicContact CD1-CE2 3.89Å; F274-Y296 HydrophobicContact CE1-CD2 4.07Å; F274-Y296 HydrophobicContact CE1-CE2 4.48Å; F274-A299 HydrophobicContact CE1-CB 4.18Å; F274-A299 HydrophobicContact CZ-CB 3.67Å; F274-I303 HydrophobicContact CD2-CD1 4.38Å; F274-I303 HydrophobicContact CE2-CD1 3.54Å; F274-I303 HydrophobicContact CZ-CD1 3.62Å
275A98.3Very high97.4Very high28 Ų2842 Ų4223%0.23121%0.21CC..Hα-helixtrans-61-36.5179.100000112.9K271 D272 Q279 Y296K271-A275 WeakPolarHBondContact O-CB 3.42Å; K271-A275 PolarHBondContact O-N 2.72Å; D272-A275 PolarHBondContact O-N 3.25Å; A275-Q279 PolarHBondContact O-NE2 3.46Å; A275-Y296 HydrophobicContact CB-CD2 3.63Å; A275-Y296 HydrophobicContact CB-CE2 4.28Å; A275-Y296 HydrophobicContact CB-CG 4.24Å
276E96.4Very high97.5Very high126 Ų12642.1 Ų42.159%0.58921%0.21SC*.Hα-helixtrans-72.2-43.9173.9-67.6178.5-157.100112.2D272 F274D272-E276 PolarHBondContact O-N 3.27Å; F274-E276 VanDerWaalsContact C-N 3.3Å; F274-E276 PolarHBondContact O-N 3.15Å
277K96.8Very high97.5Very high45 Ų4542.3 Ų42.320%0.19621%0.211CC..Hα-helixtrans-73.7-38.3-172.5-173.2-176.5-86.7-161.20112.8S228 Y230 D231 L273 F274 Q279 K280 S281S228-K277 WeakPolarHBondContact O-CD 3.09Å; S228-K277 WeakPolarHBondContact O-CE 3.41Å; S228-K277 PolarHBondContact O-NZ 3.37Å; Y230-K277 HydrophobicContact CD1-CD 4.47Å; Y230-K277 HydrophobicContact CE1-CB 4.46Å; Y230-K277 HydrophobicContact CE1-CD 3.68Å; Y230-K277 HydrophobicContact CE1-CG 4.05Å; Y230-K277 PolarHBondContact OH-O 3.16Å; D231-K277 VanDerWaalsContact OD1-CD 3.32Å; D231-K277 WeakPolarHBondContact OD1-CD 3.24Å; D231-K277 IonicContact OD1-NZ 2.62Å; D231-K277 PolarHBondContact OD1-NZ 3.28Å; L273-K277 WeakPolarHBondContact O-CB 3.3Å; L273-K277 PolarHBondContact O-N 3.06Å; F274-K277 PolarHBondContact O-N 3.04Å; K277-Q279 PolarHBondContact O-N 3.38Å; K277-Q279 VanDerWaalsContact O-N 3.15Å; K277-K280 PolarHBondContact O-N 3.01Å; K277-S281 PolarHBondContact O-N 3.24Å
278I97.7Very high97.5Very high1 Ų147.2 Ų47.21%0.00524%0.243CC..Hα-helixtrans-57.8-33.6-177.3-167.959.8000111.6Y230 F274 K280 L283 Q294 A299Y230-I278 VanDerWaalsContact OH-CA 3.31Å; Y230-I278 WeakPolarHBondContact OH-CA 3.45Å; Y230-I278 PolarHBondContact OH-N 3.15Å; F274-I278 HydrophobicContact CE1-CB 4.47Å; F274-I278 HydrophobicContact CE2-CB 4.41Å; F274-I278 HydrophobicContact CE2-CD1 4.31Å; F274-I278 HydrophobicContact CZ-CB 4.25Å; F274-I278 HydrophobicContact CZ-CD1 4.18Å; F274-I278 HydrophobicContact CZ-CG1 4.2Å; F274-I278 WeakPolarHBondContact O-CB 3.37Å; F274-I278 WeakPolarHBondContact O-CG2 3.47Å; F274-I278 PolarHBondContact O-N 2.85Å; I278-K280 PolarHBondContact O-N 3.48Å; I278-K280 VanDerWaalsContact O-N 3.13Å; I278-L283 HydrophobicContact CD1-CB 4.01Å; I278-Q294 HydrophobicContact CD1-CG 4.46Å; I278-Q294 HydrophobicContact CG1-CG 4.27Å; I278-Q294 VanDerWaalsContact O-CD 3.24Å; I278-Q294 WeakPolarHBondContact O-CG 3.47Å; I278-Q294 PolarHBondContact O-NE2 3.19Å; I278-A299 HydrophobicContact CD1-CB 3.84Å; I278-A299 HydrophobicContact CG1-CB 3.84Å
279Q96.2Very high97.4Very high137 Ų13752 Ų5264%0.6427%0.266SS*.THydrogen-bonded Turntrans-63-19.9177.7-61.5174.246.600114.1A275 K277A275-Q279 PolarHBondContact O-NE2 3.46Å; K277-Q279 PolarHBondContact O-N 3.38Å; K277-Q279 VanDerWaalsContact O-N 3.15Å
280K95.1Very high97.4Very high180 Ų18052.8 Ų52.878%0.78327%0.268SS*.THydrogen-bonded Turntrans-121.8-19.4-172.4-58.2175.5-172.4171.60113.6K277 I278K277-K280 PolarHBondContact O-N 3.01Å; I278-K280 PolarHBondContact O-N 3.48Å; I278-K280 VanDerWaalsContact O-N 3.13Å
281S96.3Very high97.3Very high4 Ų458.4 Ų58.43%0.02831%0.305CS..SBendtrans-129.7113.4-176.4-160.30000108.8K144 Y230 D231 K277 I285K144-S281 PolarHBondContact NZ-OG 2.91Å; Y230-S281 WeakPolarHBondContact CE2-O 3.36Å; Y230-S281 WeakPolarHBondContact OH-CB 3.39Å; Y230-S281 PolarHBondContact OH-O 3.02Å; D231-S281 VanDerWaalsContact OD2-CB 3.28Å; D231-S281 WeakPolarHBondContact OD2-CB 3.3Å; D231-S281 PolarHBondContact OD2-OG 3.1Å; K277-S281 PolarHBondContact O-N 3.24Å; S281-I285 WeakPolarHBondContact OG-CD1 3.42Å
282P97.2Very high97.2Very high50 Ų5057.2 Ų57.233%0.32531%0.308SS..  trans-70.8143.7-171.227.9-34.8000111.9T284 I285P282-T284 PolarHBondContact O-N 3.17Å; P282-T284 VanDerWaalsContact O-N 3.14Å; P282-I285 HydrophobicContact CG-CD1 4.21Å; P282-I285 HydrophobicContact CG-CG1 4.21Å; P282-I285 WeakPolarHBondContact O-CG1 3.48Å; P282-I285 PolarHBondContact O-N 3.3Å
283L98.2Very high97.1Very high3 Ų356.1 Ų56.12%0.01631%0.308CS..G310 helixtrans-61.7-23.8179.6-170.463.4000112.6Y230 I278 I285 C286 F287 Y290 A299 Y302 I303Y230-L283 HydrophobicContact CD2-CD1 3.93Å; Y230-L283 HydrophobicContact CE2-CD1 4.47Å; Y230-L283 HydrophobicContact CG-CD1 4.13Å; I278-L283 HydrophobicContact CD1-CB 4.01Å; L283-I285 PolarHBondContact O-N 3.31Å; L283-I285 VanDerWaalsContact O-N 3.1Å; L283-C286 PolarHBondContact O-N 2.96Å; L283-F287 HydrophobicContact CD1-CD2 3.91Å; L283-F287 HydrophobicContact CD1-CE2 4.26Å; L283-F287 HydrophobicContact CD2-CD2 4.26Å; L283-F287 HydrophobicContact CG-CD2 3.89Å; L283-F287 PolarHBondContact O-N 3.06Å; L283-Y290 HydrophobicContact CB-CD1 3.81Å; L283-Y290 HydrophobicContact CB-CE1 4.05Å; L283-Y290 HydrophobicContact CB-CG 4.36Å; L283-Y290 HydrophobicContact CD2-CD1 3.89Å; L283-Y290 HydrophobicContact CD2-CD2 3.8Å; L283-Y290 HydrophobicContact CD2-CE1 3.98Å; L283-Y290 HydrophobicContact CD2-CE2 3.9Å; L283-Y290 HydrophobicContact CD2-CG 3.77Å; L283-Y290 HydrophobicContact CG-CD1 4.28Å; L283-Y290 HydrophobicContact CG-CG 4.35Å; L283-A299 HydrophobicContact CD2-CB 3.95Å; L283-Y302 HydrophobicContact CD2-CD1 3.76Å; L283-Y302 HydrophobicContact CD2-CE1 4.46Å; L283-Y302 HydrophobicContact CD2-CG 4.41Å; L283-I303 HydrophobicContact CD1-CD1 3.99Å; L283-I303 HydrophobicContact CD1-CG1 4.23Å
284T98Very high97Very high60 Ų6058.6 Ų58.637%0.36832%0.319SS..G310 helixtrans-61.6-15.1177.952.70000114.6P282 C286 F287 P288 Y290P282-T284 PolarHBondContact O-N 3.17Å; P282-T284 VanDerWaalsContact O-N 3.14Å; T284-C286 VanDerWaalsContact C-N 3.26Å; T284-C286 PolarHBondContact O-N 3.05Å; T284-F287 WeakPolarHBondContact CA-O 3.34Å; T284-P288 WeakPolarHBondContact O-CA 3.49Å; T284-Y290 HydrophobicContact CG2-CD1 4.48Å; T284-Y290 WeakPolarHBondContact CG2-O 3.46Å
285I96.5Very high96.9Very high79 Ų7961.1 Ų61.141%0.40533%0.334SS..G310 helixtrans-60.6-38.7168.4-67170.4000111D231 S281 P282 L283D231-I285 HydrophobicContact CB-CD1 4.3Å; D231-I285 HydrophobicContact CB-CG2 4.3Å; S281-I285 WeakPolarHBondContact OG-CD1 3.42Å; P282-I285 HydrophobicContact CG-CD1 4.21Å; P282-I285 HydrophobicContact CG-CG1 4.21Å; P282-I285 WeakPolarHBondContact O-CG1 3.48Å; P282-I285 PolarHBondContact O-N 3.3Å; L283-I285 PolarHBondContact O-N 3.31Å; L283-I285 VanDerWaalsContact O-N 3.1Å
286C97.6Very high96.9Very high1 Ų162.4 Ų62.41%0.00733%0.333CS..THydrogen-bonded Turntrans-91.4-44.8176.8-171.70000111.7Y230 H244 L283 T284 P288Y230-C286 WeakPolarHBondContact O-CB 3.16Å; H244-C286 PolarHBondContact CE1-O 3.01Å; H244-C286 PolarHBondContact NE2-O 2.83Å; L283-C286 PolarHBondContact O-N 2.96Å; T284-C286 VanDerWaalsContact C-N 3.26Å; T284-C286 PolarHBondContact O-N 3.05Å; C286-P288 WeakPolarHBondContact O-CD 3.37Å
287F98Very high97Very high5 Ų562 Ų622%0.02233%0.331CS..  trans-123.382.5-172.9-58.6-68.3000110M243 L247 L283 T284 E289 Y290 Y302 I303 K306M243-F287 HydrophobicContact CG-CE2 4.1Å; M243-F287 HydrophobicContact CG-CZ 3.81Å; L247-F287 HydrophobicContact CD1-CE1 3.75Å; L247-F287 HydrophobicContact CD1-CZ 3.81Å; L283-F287 HydrophobicContact CD1-CD2 3.91Å; L283-F287 HydrophobicContact CD1-CE2 4.26Å; L283-F287 HydrophobicContact CD2-CD2 4.26Å; L283-F287 HydrophobicContact CG-CD2 3.89Å; L283-F287 PolarHBondContact O-N 3.06Å; T284-F287 WeakPolarHBondContact CA-O 3.34Å; F287-E289 WeakPolarHBondContact CA-OE2 3.39Å; F287-E289 PolarHBondContact O-N 3.01Å; F287-Y290 VanDerWaalsContact O-CB 3.23Å; F287-Y290 WeakPolarHBondContact O-CB 3.44Å; F287-Y290 PolarHBondContact O-N 2.91Å; F287-Y302 HydrophobicContact CB-CE1 3.73Å; F287-Y302 HydrophobicContact CD1-CE1 4.27Å; F287-Y302 HydrophobicContact CD2-CD1 4.22Å; F287-Y302 AromaticContact CD2-CE1 3.86Å; F287-Y302 HydrophobicContact CD2-CE1 3.86Å; F287-Y302 HydrophobicContact CG-CD1 4.49Å; F287-Y302 AromaticContact CG-CE1 3.7Å; F287-Y302 HydrophobicContact CG-CE1 3.7Å; F287-I303 HydrophobicContact CE2-CG1 4.18Å; F287-K306 HydrophobicContact CE1-CD 4.46Å; F287-K306 HydrophobicContact CE1-CG 4.16Å; F287-K306 HydrophobicContact CZ-CG 4.29Å
288P97.8Very high97Very high103 Ų10364.4 Ų64.467%0.66934%0.343SS*.THydrogen-bonded Turntrans-54.8-24.4-176.4-26.935.6000114.4T284 C286 Y290T284-P288 WeakPolarHBondContact O-CA 3.49Å; C286-P288 WeakPolarHBondContact O-CD 3.37Å; P288-Y290 VanDerWaalsContact C-N 3.34Å
289E97Very high97.1Very high100 Ų10064.3 Ų64.347%0.46734%0.343SS..THydrogen-bonded Turntrans-81.9-5.9177.978.3-72179.700114.5F287 T291 Y302 K306F287-E289 WeakPolarHBondContact CA-OE2 3.39Å; F287-E289 PolarHBondContact O-N 3.01Å; E289-T291 PolarHBondContact O-N 3Å; E289-Y302 WeakPolarHBondContact CG-OH 3.18Å; E289-Y302 PolarHBondContact OE1-OH 3.37Å; E289-K306 VanDerWaalsContact OE1-CE 3.31Å; E289-K306 WeakPolarHBondContact OE1-CE 3.46Å; E289-K306 IonicContact OE1-NZ 2.9Å; E289-K306 PolarHBondContact OE1-NZ 2.76Å
290Y98.1Very high97.2Very high20 Ų2058 Ų588%0.07831%0.313CS..  trans-67123177.9177.9-109.1000111.4L283 T284 F287 P288 G292 G293 E298 A299 Y302L283-Y290 HydrophobicContact CB-CD1 3.81Å; L283-Y290 HydrophobicContact CB-CE1 4.05Å; L283-Y290 HydrophobicContact CB-CG 4.36Å; L283-Y290 HydrophobicContact CD2-CD1 3.89Å; L283-Y290 HydrophobicContact CD2-CD2 3.8Å; L283-Y290 HydrophobicContact CD2-CE1 3.98Å; L283-Y290 HydrophobicContact CD2-CE2 3.9Å; L283-Y290 HydrophobicContact CD2-CG 3.77Å; L283-Y290 HydrophobicContact CG-CD1 4.28Å; L283-Y290 HydrophobicContact CG-CG 4.35Å; T284-Y290 HydrophobicContact CG2-CD1 4.48Å; T284-Y290 WeakPolarHBondContact CG2-O 3.46Å; F287-Y290 VanDerWaalsContact O-CB 3.23Å; F287-Y290 WeakPolarHBondContact O-CB 3.44Å; F287-Y290 PolarHBondContact O-N 2.91Å; P288-Y290 VanDerWaalsContact C-N 3.34Å; Y290-G292 VanDerWaalsContact CE1-C 3.47Å; Y290-G292 WeakPolarHBondContact CE1-O 3.41Å; Y290-G292 VanDerWaalsContact CZ-C 3.45Å; Y290-G292 VanDerWaalsContact CZ-CA 3.4Å; Y290-G292 VanDerWaalsContact OH-C 3.32Å; Y290-G292 WeakPolarHBondContact OH-CA 3.36Å; Y290-G293 WeakPolarHBondContact CE1-O 3.24Å; Y290-G293 PolarHBondContact OH-N 3.29Å; Y290-G293 PolarHBondContact OH-O 3.47Å; Y290-E298 WeakPolarHBondContact OH-CB 3.31Å; Y290-A299 PolarHBondContact OH-N 2.92Å; Y290-Y302 AromaticContact CD2-CD1 3.67Å; Y290-Y302 HydrophobicContact CD2-CD1 3.67Å; Y290-Y302 AromaticContact CD2-CD2 3.59Å; Y290-Y302 HydrophobicContact CD2-CD2 3.59Å; Y290-Y302 AromaticContact CD2-CE1 3.93Å; Y290-Y302 HydrophobicContact CD2-CE1 3.93Å; Y290-Y302 AromaticContact CD2-CE2 3.85Å; Y290-Y302 HydrophobicContact CD2-CE2 3.85Å; Y290-Y302 AromaticContact CD2-CG 3.46Å; Y290-Y302 HydrophobicContact CD2-CG 3.46Å; Y290-Y302 VanDerWaalsContact CD2-CG 3.46Å; Y290-Y302 AromaticContact CD2-CZ 3.99Å; Y290-Y302 HydrophobicContact CE2-CD1 4.21Å; Y290-Y302 AromaticContact CE2-CD2 3.96Å; Y290-Y302 HydrophobicContact CE2-CD2 3.96Å; Y290-Y302 AromaticContact CE2-CG 3.69Å; Y290-Y302 HydrophobicContact CE2-CG 3.69Å; Y290-Y302 HydrophobicContact CG-CD1 4.46Å; Y290-Y302 HydrophobicContact CG-CE1 4.45Å
291T97.1Very high97.3Very high142 Ų14252 Ų5287%0.87129%0.29SS*.  trans-111.9-1.9-179.154.80000113.9E289E289-T291 PolarHBondContact O-N 3Å
292G95.9Very high97.4Very high30 Ų3053.7 Ų53.731%0.30930%0.296SS..SBendtrans-75.6174.2-179.800000113.5Y290Y290-G292 VanDerWaalsContact CE1-C 3.47Å; Y290-G292 WeakPolarHBondContact CE1-O 3.41Å; Y290-G292 VanDerWaalsContact CZ-C 3.45Å; Y290-G292 VanDerWaalsContact CZ-CA 3.4Å; Y290-G292 VanDerWaalsContact OH-C 3.32Å; Y290-G292 WeakPolarHBondContact OH-CA 3.36Å
293G94.5Very high97.5Very high24 Ų2451.3 Ų51.325%0.24728%0.281CS..  trans-65.9157.9178.200000113.6Y290 T295 E298Y290-G293 WeakPolarHBondContact CE1-O 3.24Å; Y290-G293 PolarHBondContact OH-N 3.29Å; Y290-G293 PolarHBondContact OH-O 3.47Å; G293-T295 PolarHBondContact O-N 2.76Å; G293-E298 PolarHBondContact N-OE2 2.89Å
294Q95.1Very high97.5Very high93 Ų9354.6 Ų54.644%0.43529%0.293SS..SBendtrans-84.247.6173.9-166166.97.400111I278I278-Q294 HydrophobicContact CD1-CG 4.46Å; I278-Q294 HydrophobicContact CG1-CG 4.27Å; I278-Q294 VanDerWaalsContact O-CD 3.24Å; I278-Q294 WeakPolarHBondContact O-CG 3.47Å; I278-Q294 PolarHBondContact O-NE2 3.19Å
295T97.1Very high97.5Very high53 Ų5356.3 Ų56.333%0.32530%0.297SS..SBendtrans-109.1156.2-179.261.40000109.9G293 E297 E298 A299G293-T295 PolarHBondContact O-N 2.76Å; T295-E297 VanDerWaalsContact C-N 3.31Å; T295-E297 PolarHBondContact O-N 2.96Å; T295-E298 WeakPolarHBondContact OG1-CB 3.45Å; T295-E298 WeakPolarHBondContact OG1-CG 3.45Å; T295-E298 PolarHBondContact OG1-N 2.91Å; T295-E298 PolarHBondContact OG1-OE1 3.42Å; T295-A299 WeakPolarHBondContact O-CB 3.32Å; T295-A299 PolarHBondContact O-N 2.96Å
296Y98.3Very high97.6Very high54 Ų5455.4 Ų55.421%0.21229%0.29CS..Hα-helixtrans-59.8-46.1176.3169-95.5000110.5K271 F274 A275 S300K271-Y296 HydrophobicContact CB-CE2 4.08Å; F274-Y296 AromaticContact CD1-CD2 3.67Å; F274-Y296 HydrophobicContact CD1-CD2 3.67Å; F274-Y296 AromaticContact CD1-CE2 3.89Å; F274-Y296 HydrophobicContact CD1-CE2 3.89Å; F274-Y296 HydrophobicContact CE1-CD2 4.07Å; F274-Y296 HydrophobicContact CE1-CE2 4.48Å; A275-Y296 HydrophobicContact CB-CD2 3.63Å; A275-Y296 HydrophobicContact CB-CE2 4.28Å; A275-Y296 HydrophobicContact CB-CG 4.24Å; Y296-S300 WeakPolarHBondContact O-CA 2.95Å; Y296-S300 WeakPolarHBondContact O-CB 3.18Å; Y296-S300 PolarHBondContact O-N 2.97Å; Y296-S300 PolarHBondContact O-OG 2.86Å
297E98.1Very high97.7Very high118 Ų11855.4 Ų55.455%0.55129%0.29SS*.Hα-helixtrans-62.7-52.4-173.2-66.870.8-157.800111.8T295 S300 N301T295-E297 VanDerWaalsContact C-N 3.31Å; T295-E297 PolarHBondContact O-N 2.96Å; E297-S300 PolarHBondContact O-OG 3.16Å; E297-N301 VanDerWaalsContact O-CB 3.3Å; E297-N301 WeakPolarHBondContact O-CB 3.17Å; E297-N301 PolarHBondContact O-N 3.46Å; E297-N301 VanDerWaalsContact O-N 3.16Å; E297-N301 PolarHBondContact O-ND2 2.91Å
298E98.2Very high97.6Very high95 Ų9558 Ų5844%0.44430%0.302SS..Hα-helixtrans-68.5-46.3-178.6-66.7178.1-108.500111.5Y290 G293 T295 N301 Y302Y290-E298 WeakPolarHBondContact OH-CB 3.31Å; G293-E298 PolarHBondContact N-OE2 2.89Å; T295-E298 WeakPolarHBondContact OG1-CB 3.45Å; T295-E298 WeakPolarHBondContact OG1-CG 3.45Å; T295-E298 PolarHBondContact OG1-N 2.91Å; T295-E298 PolarHBondContact OG1-OE1 3.42Å; E298-N301 PolarHBondContact O-N 2.66Å; E298-Y302 WeakPolarHBondContact O-CB 3.3Å; E298-Y302 PolarHBondContact O-N 2.85Å
299A98.5Very high97.6Very high0 Ų057.8 Ų57.80%030%0.295CS..Hα-helixtrans-69.3-38-176.500000112.3F274 I278 L283 Y290 T295 Y302 I303F274-A299 HydrophobicContact CE1-CB 4.18Å; F274-A299 HydrophobicContact CZ-CB 3.67Å; I278-A299 HydrophobicContact CD1-CB 3.84Å; I278-A299 HydrophobicContact CG1-CB 3.84Å; L283-A299 HydrophobicContact CD2-CB 3.95Å; Y290-A299 PolarHBondContact OH-N 2.92Å; T295-A299 WeakPolarHBondContact O-CB 3.32Å; T295-A299 PolarHBondContact O-N 2.96Å; A299-Y302 PolarHBondContact O-N 3.2Å; A299-I303 WeakPolarHBondContact O-CG1 3.35Å; A299-I303 PolarHBondContact O-N 2.86Å
300S98.4Very high97.6Very high3 Ų354.5 Ų54.52%0.02128%0.282CS..Hα-helixtrans-67.3-41176.564.20000112.2Y296 E297 I303 R304Y296-S300 WeakPolarHBondContact O-CA 2.95Å; Y296-S300 WeakPolarHBondContact O-CB 3.18Å; Y296-S300 PolarHBondContact O-N 2.97Å; Y296-S300 PolarHBondContact O-OG 2.86Å; E297-S300 PolarHBondContact O-OG 3.16Å; S300-I303 PolarHBondContact O-N 3.44Å; S300-R304 PolarHBondContact O-N 2.97Å
301N98.3Very high97.6Very high55 Ų5553.9 Ų53.929%0.29428%0.28SS..Hα-helixtrans-65-40.9175.6-75.6-33.8000111.4E297 E298 R304 E305E297-N301 VanDerWaalsContact O-CB 3.3Å; E297-N301 WeakPolarHBondContact O-CB 3.17Å; E297-N301 PolarHBondContact O-N 3.46Å; E297-N301 VanDerWaalsContact O-N 3.16Å; E297-N301 PolarHBondContact O-ND2 2.91Å; E298-N301 PolarHBondContact O-N 2.66Å; N301-R304 WeakPolarHBondContact O-CB 3.39Å; N301-R304 PolarHBondContact O-N 3.21Å; N301-R304 VanDerWaalsContact OD1-CZ 3.22Å; N301-R304 PolarHBondContact OD1-NH1 3.4Å; N301-R304 PolarHBondContact OD1-NH2 3.47Å; N301-E305 WeakPolarHBondContact O-CG 3.3Å; N301-E305 PolarHBondContact O-N 3.22Å
302Y98.6Very high97.6Very high39 Ų3955.8 Ų55.815%0.15327%0.271CS..Hα-helixtrans-61.6-45174.8-174.6-96.3000112.5L283 F287 E289 Y290 E298 A299 R304 E305 K306L283-Y302 HydrophobicContact CD2-CD1 3.76Å; L283-Y302 HydrophobicContact CD2-CE1 4.46Å; L283-Y302 HydrophobicContact CD2-CG 4.41Å; F287-Y302 HydrophobicContact CB-CE1 3.73Å; F287-Y302 HydrophobicContact CD1-CE1 4.27Å; F287-Y302 HydrophobicContact CD2-CD1 4.22Å; F287-Y302 AromaticContact CD2-CE1 3.86Å; F287-Y302 HydrophobicContact CD2-CE1 3.86Å; F287-Y302 HydrophobicContact CG-CD1 4.49Å; F287-Y302 AromaticContact CG-CE1 3.7Å; F287-Y302 HydrophobicContact CG-CE1 3.7Å; E289-Y302 WeakPolarHBondContact CG-OH 3.18Å; E289-Y302 PolarHBondContact OE1-OH 3.37Å; Y290-Y302 AromaticContact CD2-CD1 3.67Å; Y290-Y302 HydrophobicContact CD2-CD1 3.67Å; Y290-Y302 AromaticContact CD2-CD2 3.59Å; Y290-Y302 HydrophobicContact CD2-CD2 3.59Å; Y290-Y302 AromaticContact CD2-CE1 3.93Å; Y290-Y302 HydrophobicContact CD2-CE1 3.93Å; Y290-Y302 AromaticContact CD2-CE2 3.85Å; Y290-Y302 HydrophobicContact CD2-CE2 3.85Å; Y290-Y302 AromaticContact CD2-CG 3.46Å; Y290-Y302 HydrophobicContact CD2-CG 3.46Å; Y290-Y302 VanDerWaalsContact CD2-CG 3.46Å; Y290-Y302 AromaticContact CD2-CZ 3.99Å; Y290-Y302 HydrophobicContact CE2-CD1 4.21Å; Y290-Y302 AromaticContact CE2-CD2 3.96Å; Y290-Y302 HydrophobicContact CE2-CD2 3.96Å; Y290-Y302 AromaticContact CE2-CG 3.69Å; Y290-Y302 HydrophobicContact CE2-CG 3.69Å; Y290-Y302 HydrophobicContact CG-CD1 4.46Å; Y290-Y302 HydrophobicContact CG-CE1 4.45Å; E298-Y302 WeakPolarHBondContact O-CB 3.3Å; E298-Y302 PolarHBondContact O-N 2.85Å; A299-Y302 PolarHBondContact O-N 3.2Å; Y302-R304 VanDerWaalsContact C-N 3.32Å; Y302-R304 PolarHBondContact O-N 2.96Å; Y302-E305 PolarHBondContact O-N 3.36Å; Y302-K306 HydrophobicContact CD1-CG 4.2Å; Y302-K306 HydrophobicContact CE1-CD 4.36Å; Y302-K306 VanDerWaalsContact CE1-CE 3.41Å; Y302-K306 HydrophobicContact CE1-CG 3.93Å; Y302-K306 WeakPolarHBondContact O-CG 3.31Å; Y302-K306 PolarHBondContact O-N 3.21Å; Y302-K306 WeakPolarHBondContact OH-CE 3.28Å; Y302-K306 PolarHBondContact OH-NZ 3.34Å; Y302-K306 VanDerWaalsContact OH-NZ 3.13Å
303I98.7Very high97.5Very high0 Ų056.4 Ų56.40%026%0.264CS..Hα-helixtrans-59.6-45.4174.6-70.2166.8000110.2M227 M243 L268 F274 L283 F287 A299 S300 E305 K306 F307M227-I303 HydrophobicContact CE-CD1 4.11Å; M243-I303 HydrophobicContact CE-CD1 4.29Å; M243-I303 HydrophobicContact CE-CG2 4.25Å; M243-I303 HydrophobicContact SD-CG2 4.42Å; L268-I303 HydrophobicContact CD2-CG2 4.35Å; F274-I303 HydrophobicContact CD2-CD1 4.38Å; F274-I303 HydrophobicContact CE2-CD1 3.54Å; F274-I303 HydrophobicContact CZ-CD1 3.62Å; L283-I303 HydrophobicContact CD1-CD1 3.99Å; L283-I303 HydrophobicContact CD1-CG1 4.23Å; F287-I303 HydrophobicContact CE2-CG1 4.18Å; A299-I303 WeakPolarHBondContact O-CG1 3.35Å; A299-I303 PolarHBondContact O-N 2.86Å; S300-I303 PolarHBondContact O-N 3.44Å; I303-E305 PolarHBondContact O-N 3.48Å; I303-K306 WeakPolarHBondContact O-CB 3.44Å; I303-K306 PolarHBondContact O-N 3.28Å; I303-F307 HydrophobicContact CG2-CD2 4.05Å; I303-F307 HydrophobicContact CG2-CE2 4.03Å; I303-F307 WeakPolarHBondContact O-CD2 3.47Å; I303-F307 PolarHBondContact O-N 3.47Å
304R98.6Very high97.3Very high72 Ų7260.9 Ų60.927%0.27228%0.277SS..Hα-helixtrans-54.5-51.6176.1173.3-178.469.3-160.8-5.1111.4L268 S300 N301 Y302 K306 F307 E308 T321 F323L268-R304 HydrophobicContact CD1-CB 3.64Å; L268-R304 HydrophobicContact CD1-CG 4.22Å; S300-R304 PolarHBondContact O-N 2.97Å; N301-R304 WeakPolarHBondContact O-CB 3.39Å; N301-R304 PolarHBondContact O-N 3.21Å; N301-R304 VanDerWaalsContact OD1-CZ 3.22Å; N301-R304 PolarHBondContact OD1-NH1 3.4Å; N301-R304 PolarHBondContact OD1-NH2 3.47Å; Y302-R304 VanDerWaalsContact C-N 3.32Å; Y302-R304 PolarHBondContact O-N 2.96Å; R304-K306 VanDerWaalsContact C-N 3.31Å; R304-K306 PolarHBondContact O-N 3.01Å; R304-F307 PolarHBondContact O-N 3.02Å; R304-F307 VanDerWaalsContact O-N 3.11Å; R304-E308 WeakPolarHBondContact CD-OE1 3.27Å; R304-E308 VanDerWaalsContact CG-CD 3.49Å; R304-E308 HydrophobicContact CG-CG 4.22Å; R304-E308 VanDerWaalsContact CG-OE1 3.26Å; R304-E308 WeakPolarHBondContact CG-OE1 3.42Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 3.4Å; R304-T321 HydrophobicContact CG-CG2 3.92Å; R304-F323 HydrophobicContact CB-CZ 4.11Å
305E98Very high97.1Very high96 Ų9663.1 Ų63.145%0.44930%0.297SS..Hα-helixtrans-58-43.5179.7-73.3171.6-171.200111.4N301 Y302 I303 F307 E308 D309N301-E305 WeakPolarHBondContact O-CG 3.3Å; N301-E305 PolarHBondContact O-N 3.22Å; Y302-E305 PolarHBondContact O-N 3.36Å; I303-E305 PolarHBondContact O-N 3.48Å; E305-F307 VanDerWaalsContact C-N 3.28Å; E305-F307 PolarHBondContact O-N 2.78Å; E305-E308 PolarHBondContact O-N 3.13Å; E305-D309 VanDerWaalsContact O-CB 3.24Å; E305-D309 WeakPolarHBondContact O-CB 3.46Å; E305-D309 VanDerWaalsContact O-CG 3.28Å; E305-D309 PolarHBondContact O-N 2.72Å
306K98.4Very high96.8Very high61 Ų6166.1 Ų66.127%0.26532%0.316SS..Hα-helixtrans-57-39175.9-72.1-64.5-171.8177.70113.4L247 F287 E289 Y302 I303 R304 V310L247-K306 HydrophobicContact CD2-CB 4.22Å; F287-K306 HydrophobicContact CE1-CD 4.46Å; F287-K306 HydrophobicContact CE1-CG 4.16Å; F287-K306 HydrophobicContact CZ-CG 4.29Å; E289-K306 VanDerWaalsContact OE1-CE 3.31Å; E289-K306 WeakPolarHBondContact OE1-CE 3.46Å; E289-K306 IonicContact OE1-NZ 2.9Å; E289-K306 PolarHBondContact OE1-NZ 2.76Å; Y302-K306 HydrophobicContact CD1-CG 4.2Å; Y302-K306 HydrophobicContact CE1-CD 4.36Å; Y302-K306 VanDerWaalsContact CE1-CE 3.41Å; Y302-K306 HydrophobicContact CE1-CG 3.93Å; Y302-K306 WeakPolarHBondContact O-CG 3.31Å; Y302-K306 PolarHBondContact O-N 3.21Å; Y302-K306 WeakPolarHBondContact OH-CE 3.28Å; Y302-K306 PolarHBondContact OH-NZ 3.34Å; Y302-K306 VanDerWaalsContact OH-NZ 3.13Å; I303-K306 WeakPolarHBondContact O-CB 3.44Å; I303-K306 PolarHBondContact O-N 3.28Å; R304-K306 VanDerWaalsContact C-N 3.31Å; R304-K306 PolarHBondContact O-N 3.01Å; K306-V310 VanDerWaalsContact O-CG2 3.3Å; K306-V310 WeakPolarHBondContact O-CG2 3.31Å
307F98.5Very high96.4Very high0 Ų064.1 Ų64.10%031%0.308CS..Hα-helixtrans-76.2-42.7175.8-82-89.5000112.1V225 M243 L247 F250 L266 L268 I303 R304 E305 D309 V310V225-F307 HydrophobicContact CB-CZ 4.19Å; V225-F307 HydrophobicContact CG1-CE1 4.3Å; V225-F307 HydrophobicContact CG1-CE2 3.74Å; V225-F307 HydrophobicContact CG1-CZ 3.51Å; V225-F307 HydrophobicContact CG2-CD1 4Å; V225-F307 HydrophobicContact CG2-CE1 3.45Å; V225-F307 VanDerWaalsContact CG2-CE1 3.45Å; V225-F307 HydrophobicContact CG2-CE2 4.17Å; V225-F307 HydrophobicContact CG2-CZ 3.56Å; M243-F307 HydrophobicContact SD-CE2 3.54Å; M243-F307 VanDerWaalsContact SD-CE2 3.54Å; M243-F307 HydrophobicContact SD-CZ 3.8Å; L247-F307 HydrophobicContact CD2-CD1 3.82Å; L247-F307 HydrophobicContact CD2-CD2 3.75Å; L247-F307 HydrophobicContact CD2-CE1 3.8Å; L247-F307 HydrophobicContact CD2-CE2 3.73Å; L247-F307 HydrophobicContact CD2-CG 3.78Å; L247-F307 HydrophobicContact CD2-CZ 3.75Å; L247-F307 HydrophobicContact CG-CD2 4.47Å; L247-F307 HydrophobicContact CG-CE1 4.08Å; L247-F307 HydrophobicContact CG-CE2 3.94Å; L247-F307 HydrophobicContact CG-CZ 3.72Å; F250-F307 HydrophobicContact CB-CD1 3.78Å; F250-F307 HydrophobicContact CB-CE1 3.8Å; F250-F307 HydrophobicContact CD1-CB 4.37Å; F250-F307 AromaticContact CD1-CD1 3.69Å; F250-F307 HydrophobicContact CD1-CD1 3.69Å; F250-F307 HydrophobicContact CD2-CD1 4.45Å; F250-F307 HydrophobicContact CE1-CB 4.39Å; F250-F307 HydrophobicContact CE1-CD1 4.4Å; F250-F307 WeakPolarHBondContact CE1-O 3.28Å; F250-F307 AromaticContact CG-CD1 3.71Å; F250-F307 HydrophobicContact CG-CD1 3.71Å; F250-F307 HydrophobicContact CG-CE1 4.22Å; L266-F307 HydrophobicContact CD1-CD1 4.32Å; L266-F307 HydrophobicContact CD2-CB 3.5Å; L266-F307 HydrophobicContact CD2-CG 4.12Å; L268-F307 HydrophobicContact CD2-CD2 4.22Å; I303-F307 HydrophobicContact CG2-CD2 4.05Å; I303-F307 HydrophobicContact CG2-CE2 4.03Å; I303-F307 WeakPolarHBondContact O-CD2 3.47Å; I303-F307 PolarHBondContact O-N 3.47Å; R304-F307 PolarHBondContact O-N 3.02Å; R304-F307 VanDerWaalsContact O-N 3.11Å; E305-F307 VanDerWaalsContact C-N 3.28Å; E305-F307 PolarHBondContact O-N 2.78Å; F307-D309 VanDerWaalsContact C-N 3.28Å; F307-D309 PolarHBondContact O-N 2.79Å; F307-V310 WeakPolarHBondContact O-CB 3.29Å; F307-V310 PolarHBondContact O-N 2.6Å
308E97.5Very high96.1Very high60 Ų6062.6 Ų62.628%0.2831%0.307SS..Hα-helixtrans-65.3-33-179.9-71.8175.7177.200112.3R304 E305 V310 N311 T321R304-E308 WeakPolarHBondContact CD-OE1 3.27Å; R304-E308 VanDerWaalsContact CG-CD 3.49Å; R304-E308 HydrophobicContact CG-CG 4.22Å; R304-E308 VanDerWaalsContact CG-OE1 3.26Å; R304-E308 WeakPolarHBondContact CG-OE1 3.42Å; R304-E308 WeakPolarHBondContact O-CG 3.49Å; R304-E308 PolarHBondContact O-N 3.4Å; E305-E308 PolarHBondContact O-N 3.13Å; E308-V310 VanDerWaalsContact C-N 3.26Å; E308-V310 PolarHBondContact O-N 3.4Å; E308-N311 WeakPolarHBondContact O-CB 3.38Å; E308-N311 PolarHBondContact O-N 3Å; E308-T321 VanDerWaalsContact OE1-CB 3.26Å; E308-T321 WeakPolarHBondContact OE1-CB 3.35Å; E308-T321 PolarHBondContact OE1-OG1 3.24Å
309D97.2Very high95.9Very high99 Ų9958.9 Ų58.953%0.52929%0.29SS..THydrogen-bonded Turntrans-70.4-20.2177.9-78.4-19.6000114.2E305 F307 N311 K314E305-D309 VanDerWaalsContact O-CB 3.24Å; E305-D309 WeakPolarHBondContact O-CB 3.46Å; E305-D309 VanDerWaalsContact O-CG 3.28Å; E305-D309 PolarHBondContact O-N 2.72Å; F307-D309 VanDerWaalsContact C-N 3.28Å; F307-D309 PolarHBondContact O-N 2.79Å; D309-N311 PolarHBondContact O-N 2.96Å; D309-K314 IonicContact OD1-NZ 3.15Å; D309-K314 PolarHBondContact OD1-NZ 3.35Å
310V97.1Very high95.8Very high31 Ų3163 Ų6319%0.18831%0.306CS..THydrogen-bonded Turntrans-68-25174.5167.90000111.7L247 F250 D251 N255 K306 F307 E308 R312L247-V310 HydrophobicContact CD2-CG2 4.16Å; F250-V310 HydrophobicContact CD1-CB 4.15Å; F250-V310 HydrophobicContact CD1-CG1 4.01Å; D251-V310 HydrophobicContact CB-CG1 3.37Å; N255-V310 PolarHBondContact ND2-O 2.89Å; K306-V310 VanDerWaalsContact O-CG2 3.3Å; K306-V310 WeakPolarHBondContact O-CG2 3.31Å; F307-V310 WeakPolarHBondContact O-CB 3.29Å; F307-V310 PolarHBondContact O-N 2.6Å; E308-V310 VanDerWaalsContact C-N 3.26Å; E308-V310 PolarHBondContact O-N 3.4Å; V310-R312 PolarHBondContact O-N 3.02Å; V310-R312 VanDerWaalsContact O-N 3.16Å
311N97.1Very high95.7Very high7 Ų764.2 Ų64.24%0.03731%0.313CS..  trans-68.6111.4177.5177.518.5000111.1E308 D309 R313 K314 K317 I319E308-N311 WeakPolarHBondContact O-CB 3.38Å; E308-N311 PolarHBondContact O-N 3Å; D309-N311 PolarHBondContact O-N 2.96Å; N311-R313 VanDerWaalsContact C-N 3.28Å; N311-R313 PolarHBondContact O-N 2.77Å; N311-R313 PolarHBondContact OD1-N 3.25Å; N311-K314 WeakPolarHBondContact O-CG 3.08Å; N311-K317 PolarHBondContact ND2-O 2.96Å; N311-I319 HydrophobicContact CB-CG1 4.08Å
312R96.6Very high95.6Very high182 Ų18263.7 Ų63.769%0.68731%0.309SS*.THydrogen-bonded Turntrans-81.2-9.3-179.9-57.4176.1-147.3-135.92.3113.1D251 N255 V310D251-R312 VanDerWaalsContact CG-NH2 3.27Å; D251-R312 IonicContact OD1-CZ 2.73Å; D251-R312 IonicContact OD1-NE 3.12Å; D251-R312 IonicContact OD1-NH2 2.67Å; D251-R312 PolarHBondContact OD1-NH2 3.13Å; D251-R312 IonicContact OD2-NH2 3.04Å; D251-R312 PolarHBondContact OD2-NH2 3.16Å; N255-R312 PolarHBondContact ND2-NE 3.45Å; N255-R312 PolarHBondContact OD1-N 3.44Å; N255-R312 VanDerWaalsContact OD1-N 3.08Å; V310-R312 PolarHBondContact O-N 3.02Å; V310-R312 VanDerWaalsContact O-N 3.16Å
313R94.4Very high95.6Very high43 Ų4364 Ų6416%0.16231%0.311CS..THydrogen-bonded Turntrans-109.237.2-175.9-67.2-179.3-75.9-144.53111.7C254 S256 N311 T315 T316 K317C254-R313 PolarHBondContact O-NH2 3.24Å; S256-R313 PolarHBondContact O-NH2 3.01Å; N311-R313 VanDerWaalsContact C-N 3.28Å; N311-R313 PolarHBondContact O-N 2.77Å; N311-R313 PolarHBondContact OD1-N 3.25Å; R313-T315 PolarHBondContact O-N 3.03Å; R313-T316 PolarHBondContact O-N 3.08Å; R313-K317 HydrophobicContact CB-CB 3.92Å; R313-K317 WeakPolarHBondContact O-CB 3.46Å; R313-K317 PolarHBondContact O-N 3.41Å
314K91.7Very high95.6Very high118 Ų11864 Ų6451%0.51331%0.311SS..THydrogen-bonded Turntrans-53.5-28.3-173.9-60-168.4175-175.70114.6D309 N311D309-K314 IonicContact OD1-NZ 3.15Å; D309-K314 PolarHBondContact OD1-NZ 3.35Å; N311-K314 WeakPolarHBondContact O-CG 3.08Å
315T90.6Very high95.5Very high140 Ų14060.9 Ų60.986%0.85930%0.301SS*.THydrogen-bonded Turntrans-78.2-25.1179.8520000113.9R313R313-T315 PolarHBondContact O-N 3.03Å
316T90.3Very high95.4Very high116 Ų11656.6 Ų56.671%0.71228%0.281SS*.THydrogen-bonded Turntrans-119.9-15.5-174.856.30000113.5R313R313-T316 PolarHBondContact O-N 3.08Å
317K90.6Very high95.3Very high12 Ų1255.1 Ų55.15%0.05228%0.278CS..  trans-130.3116.7-176.5-173165.3-167.7160.30110.8F259 T262 I264 N311 R313 I319F259-K317 PolarHBondContact O-NZ 3.02Å; T262-K317 VanDerWaalsContact O-CE 3.25Å; T262-K317 WeakPolarHBondContact O-CE 3.3Å; T262-K317 PolarHBondContact O-NZ 3Å; I264-K317 VanDerWaalsContact CD1-CE 3.44Å; N311-K317 PolarHBondContact ND2-O 2.96Å; R313-K317 HydrophobicContact CB-CB 3.92Å; R313-K317 WeakPolarHBondContact O-CB 3.46Å; R313-K317 PolarHBondContact O-N 3.41Å; K317-I319 HydrophobicContact CG-CD1 4.48Å
318T90.8Very high95.1Very high85 Ų8558 Ų5852%0.52129%0.293SS..  trans-92.8136.9173.2-54.20000110Y320T318-Y320 HydrophobicContact CG2-CD1 4.45Å; T318-Y320 HydrophobicContact CG2-CE1 4.14Å; T318-Y320 HydrophobicContact CG2-CE2 4.32Å
319I94.9Very high94.9Very high17 Ų1757.9 Ų57.99%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-100.5122169.9-54.3-56.4000107.4F250 I264 L266 N311 K317 T321F250-I319 HydrophobicContact CZ-CD1 4.23Å; F250-I319 HydrophobicContact CZ-CG1 4.37Å; F250-I319 HydrophobicContact CZ-CG2 4.04Å; I264-I319 HydrophobicContact CB-CD1 3.75Å; I264-I319 HydrophobicContact CD1-CD1 4.28Å; I264-I319 HydrophobicContact CG1-CD1 4.47Å; I264-I319 HydrophobicContact CG2-CD1 3.96Å; I264-I319 HydrophobicContact CG2-CG2 4.48Å; L266-I319 HydrophobicContact CB-CG2 3.67Å; L266-I319 HydrophobicContact CD2-CG2 4.27Å; N311-I319 HydrophobicContact CB-CG1 4.08Å; K317-I319 HydrophobicContact CG-CD1 4.48Å; I319-T321 PolarHBondContact O-N 3.1Å
320Y94.6Very high94.7Very high86 Ų8659.1 Ų59.134%0.33730%0.301SS..EExtended strand (participates in β ladder)trans-92.4100.5179.9-61.8-87.5000109.6I264 I265 L266 T318 V342I264-Y320 PolarHBondContact O-N 2.95Å; I265-Y320 CarbonylContact C-O 3.58Å; I265-Y320 WeakPolarHBondContact CA-O 3.24Å; I265-Y320 WeakPolarHBondContact CG2-O 3.47Å; L266-Y320 PolarHBondContact N-O 3.28Å; T318-Y320 HydrophobicContact CG2-CD1 4.45Å; T318-Y320 HydrophobicContact CG2-CE1 4.14Å; T318-Y320 HydrophobicContact CG2-CE2 4.32Å; Y320-V342 HydrophobicContact CD1-CG1 4.15Å; Y320-V342 HydrophobicContact CD1-CG2 3.61Å; Y320-V342 HydrophobicContact CD2-CG1 3.58Å; Y320-V342 HydrophobicContact CD2-CG2 4.49Å; Y320-V342 HydrophobicContact CE1-CB 4.49Å; Y320-V342 HydrophobicContact CE1-CG1 3.94Å; Y320-V342 HydrophobicContact CE1-CG2 3.67Å; Y320-V342 HydrophobicContact CE2-CG1 3.33Å; Y320-V342 HydrophobicContact CG-CG1 3.96Å; Y320-V342 HydrophobicContact CG-CG2 4.03Å
321T97Very high94.6Very high29 Ų2958.7 Ų58.718%0.17830%0.298CS..EExtended strand (participates in β ladder)trans-96.2131.2-172.5-50.10000112.7L266 L268 R304 E308 I319L266-T321 HydrophobicContact CB-CG2 4.25Å; L266-T321 HydrophobicContact CD2-CG2 3.85Å; L266-T321 HydrophobicContact CG-CG2 4.05Å; L266-T321 CarbonylContact O-C 3.44Å; L266-T321 WeakPolarHBondContact O-CA 3.43Å; L268-T321 HydrophobicContact CD1-CG2 3.57Å; L268-T321 HydrophobicContact CG-CG2 3.81Å; R304-T321 HydrophobicContact CG-CG2 3.92Å; E308-T321 VanDerWaalsContact OE1-CB 3.26Å; E308-T321 WeakPolarHBondContact OE1-CB 3.35Å; E308-T321 PolarHBondContact OE1-OG1 3.24Å; I319-T321 PolarHBondContact O-N 3.1Å
322H97.3Very high94.4Very high44 Ų4458.4 Ų58.420%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-132133.3177-63.5-87.9000111.6L266 F267 L268 T324 V335L266-H322 PolarHBondContact O-N 3.47Å; F267-H322 WeakPolarHBondContact CA-O 2.94Å; F267-H322 HydrophobicContact CD1-CB 4.14Å; F267-H322 HydrophobicContact CE1-CB 4.27Å; L268-H322 PolarHBondContact N-O 3Å; H322-T324 HydrophobicContact CB-CG2 4.21Å; H322-V335 HydrophobicContact CB-CG1 3.65Å; H322-V335 HydrophobicContact CB-CG2 4.21Å
323F97.9Very high94.1Very high45 Ų4556.1 Ų56.120%0.19729%0.287CS..EExtended strand (participates in β ladder)trans-79.6122168.3-64.6-73.7000110.1M227 L268 K271 R304 N331M227-F323 HydrophobicContact CE-CD1 4.12Å; M227-F323 HydrophobicContact CE-CE1 3.86Å; M227-F323 HydrophobicContact SD-CD1 3.7Å; M227-F323 HydrophobicContact SD-CE1 4.02Å; L268-F323 HydrophobicContact CB-CD1 3.72Å; L268-F323 HydrophobicContact CB-CE1 4.03Å; L268-F323 HydrophobicContact CD1-CD1 3.93Å; L268-F323 HydrophobicContact CD1-CE1 3.4Å; L268-F323 HydrophobicContact CD1-CZ 3.95Å; L268-F323 HydrophobicContact CG-CD1 4.47Å; L268-F323 HydrophobicContact CG-CE1 4.36Å; L268-F323 CarbonylContact O-C 3.49Å; L268-F323 WeakPolarHBondContact O-CA 3.31Å; K271-F323 HydrophobicContact CD-CB 4.1Å; R304-F323 HydrophobicContact CB-CZ 4.11Å; F323-N331 PolarHBondContact O-ND2 3.31Å
324T97.9Very high93.9Very high0 Ų058.9 Ų58.90%031%0.309CS..  trans-126.4152.8-170.956.90000113.8F267 L268 N269 K270 K271 H322 N331 I332 V335F267-T324 HydrophobicContact CB-CG2 4.25Å; F267-T324 HydrophobicContact CD1-CG2 3.9Å; F267-T324 HydrophobicContact CD2-CG2 3.74Å; F267-T324 HydrophobicContact CE1-CG2 4.19Å; F267-T324 HydrophobicContact CE2-CG2 4.02Å; F267-T324 HydrophobicContact CG-CG2 3.69Å; F267-T324 HydrophobicContact CZ-CG2 4.26Å; L268-T324 PolarHBondContact O-N 2.88Å; N269-T324 CarbonylContact C-O 3.19Å; N269-T324 VanDerWaalsContact CA-O 3.3Å; N269-T324 WeakPolarHBondContact CA-O 3.49Å; N269-T324 WeakPolarHBondContact CA-OG1 3.08Å; N269-T324 VanDerWaalsContact CB-OG1 3.31Å; N269-T324 WeakPolarHBondContact CB-OG1 3.48Å; N269-T324 PolarHBondContact OD1-O 3.48Å; N269-T324 PolarHBondContact OD1-OG1 3.44Å; K270-T324 PolarHBondContact N-O 2.76Å; K271-T324 WeakPolarHBondContact CG-O 3.29Å; K271-T324 PolarHBondContact N-O 3.39Å; K271-T324 VanDerWaalsContact N-O 3.1Å; H322-T324 HydrophobicContact CB-CG2 4.21Å; T324-N331 WeakPolarHBondContact CA-OD1 3.46Å; T324-I332 HydrophobicContact CG2-CD1 4.29Å; T324-V335 HydrophobicContact CG2-CB 4.35Å; T324-V335 HydrophobicContact CG2-CG1 3.91Å; T324-V335 HydrophobicContact CG2-CG2 4.09Å
325C97.3Very high93.8Very high8 Ų853.7 Ų53.75%0.05429%0.287CS..  trans-127.4102.3161.9175.20000106.7K271 D272 T327 D328 N331 I332K271-C325 HydrophobicContact CG-CB 4.3Å; D272-C325 PolarHBondContact OD1-SG 3.26Å; C325-T327 PolarHBondContact O-N 2.96Å; C325-T327 PolarHBondContact SG-OG1 3.02Å; C325-D328 HydrophobicContact CB-CB 3.91Å; C325-D328 PolarHBondContact O-N 2.95Å; C325-N331 PolarHBondContact N-OD1 3.46Å; C325-I332 WeakPolarHBondContact O-CG1 3.23Å
326A96Very high93.6Very high5 Ų547.3 Ų47.34%0.04125%0.247CC..THydrogen-bonded Turntrans-59.1-18.9-17700000113.9T48 V49 Q52 N269T48-A326 HydrophobicContact CG2-CB 3.6Å; V49-A326 HydrophobicContact CG2-CB 3.77Å; Q52-A326 WeakPolarHBondContact CG-O 3.1Å; Q52-A326 PolarHBondContact NE2-O 2.86Å; N269-A326 PolarHBondContact OD1-N 2.81Å
327T95Very high93.5Very high31 Ų3144.2 Ų44.219%0.1923%0.227CC..THydrogen-bonded Turntrans-933.7175.8610000113.9T48 Q172 L175 R176 C325T48-T327 HydrophobicContact CG2-CG2 4.14Å; Q172-T327 PolarHBondContact OE1-O 3.49Å; L175-T327 HydrophobicContact CB-CG2 4.36Å; R176-T327 HydrophobicContact CG-CG2 4.03Å; R176-T327 PolarHBondContact NH2-OG1 3.13Å; C325-T327 PolarHBondContact O-N 2.96Å; C325-T327 PolarHBondContact SG-OG1 3.02Å
328D95.9Very high93.3Very high61 Ų6145.3 Ų45.333%0.32624%0.237SC..  trans-106.6107.5176.3176.3-10.4000109.7C325 N330 N331 I332C325-D328 HydrophobicContact CB-CB 3.91Å; C325-D328 PolarHBondContact O-N 2.95Å; D328-N330 VanDerWaalsContact C-N 3.28Å; D328-N330 PolarHBondContact O-N 2.64Å; D328-N330 WeakPolarHBondContact OD1-CB 3.28Å; D328-N330 PolarHBondContact OD1-N 3.36Å; D328-N331 HydrophobicContact CB-CB 3.91Å; D328-N331 PolarHBondContact O-N 2.97Å; D328-N331 PolarHBondContact OD1-N 3.47Å; D328-N331 VanDerWaalsContact OD1-N 3.09Å; D328-N331 WeakPolarHBondContact OD2-CB 3.38Å; D328-I332 WeakPolarHBondContact O-CG1 3.36Å; D328-I332 PolarHBondContact O-N 2.74Å
329N92.4Very high93.1Very high57 Ų5741.3 Ų41.331%0.30521%0.213SC..Hα-helixtrans-58.3-39.3-177.6-65.86000112.1Q52 R333Q52-N329 PolarHBondContact NE2-OD1 2.98Å; Q52-N329 PolarHBondContact OE1-OD1 3.36Å; Q52-N329 VanDerWaalsContact OE1-OD1 3.1Å; N329-R333 VanDerWaalsContact O-CB 3.24Å; N329-R333 WeakPolarHBondContact O-CB 3.44Å; N329-R333 PolarHBondContact O-N 3.15Å
330N93.6Very high92.7Very high124 Ų12440.7 Ų40.766%0.66321%0.21SC*.Hα-helixtrans-71.9-45.5-177.3-71.3-30.3000110.7D328 I332 R333 V334D328-N330 VanDerWaalsContact C-N 3.28Å; D328-N330 PolarHBondContact O-N 2.64Å; D328-N330 WeakPolarHBondContact OD1-CB 3.28Å; D328-N330 PolarHBondContact OD1-N 3.36Å; N330-I332 VanDerWaalsContact C-N 3.35Å; N330-I332 PolarHBondContact O-N 3.11Å; N330-R333 PolarHBondContact O-N 3.36Å; N330-V334 WeakPolarHBondContact O-CG2 3.47Å; N330-V334 PolarHBondContact O-N 2.92Å; N330-V334 VanDerWaalsContact O-N 3.12Å
331N94.1Very high92.3Very high23 Ų2340.2 Ų40.212%0.12321%0.213CC..Hα-helixtrans-60.5-46.2177.5174.1-108000111.5K271 F323 T324 C325 D328 V335K271-N331 PolarHBondContact NZ-ND2 2.98Å; F323-N331 PolarHBondContact O-ND2 3.31Å; T324-N331 WeakPolarHBondContact CA-OD1 3.46Å; C325-N331 PolarHBondContact N-OD1 3.46Å; D328-N331 HydrophobicContact CB-CB 3.91Å; D328-N331 PolarHBondContact O-N 2.97Å; D328-N331 PolarHBondContact OD1-N 3.47Å; D328-N331 VanDerWaalsContact OD1-N 3.09Å; D328-N331 WeakPolarHBondContact OD2-CB 3.38Å; N331-V335 WeakPolarHBondContact O-CB 3.29Å; N331-V335 WeakPolarHBondContact O-CG2 3.35Å; N331-V335 PolarHBondContact O-N 3.1Å
332I92.7Very high91.6Very high1 Ų139.6 Ų39.61%0.00521%0.21CC..Hα-helixtrans-69.3-37.6-178.3-68-65.4000112Q52 I56 F267 T324 C325 D328 N330 V335 F336Q52-I332 HydrophobicContact CB-CG2 3.76Å; Q52-I332 HydrophobicContact CG-CB 4.46Å; Q52-I332 HydrophobicContact CG-CG1 4.37Å; Q52-I332 HydrophobicContact CG-CG2 4.17Å; I56-I332 HydrophobicContact CD1-CB 4.07Å; I56-I332 HydrophobicContact CD1-CG2 3.69Å; F267-I332 HydrophobicContact CE2-CD1 4.43Å; T324-I332 HydrophobicContact CG2-CD1 4.29Å; C325-I332 WeakPolarHBondContact O-CG1 3.23Å; D328-I332 WeakPolarHBondContact O-CG1 3.36Å; D328-I332 PolarHBondContact O-N 2.74Å; N330-I332 VanDerWaalsContact C-N 3.35Å; N330-I332 PolarHBondContact O-N 3.11Å; I332-V335 PolarHBondContact O-N 2.96Å; I332-F336 HydrophobicContact CG2-CD2 3.32Å; I332-F336 HydrophobicContact CG2-CE2 3.22Å; I332-F336 HydrophobicContact CG2-CZ 4.42Å; I332-F336 WeakPolarHBondContact O-CB 3.46Å; I332-F336 VanDerWaalsContact O-CD2 3.25Å; I332-F336 WeakPolarHBondContact O-CD2 3.42Å; I332-F336 PolarHBondContact O-N 2.69Å
333R91.4Very high91Very high133 Ų13337.6 Ų37.650%0.50220%0.2SC..Hα-helixtrans-58.7-52174.3-177.1-179.8-178.2109.51.8111.9I56 N329 N330 V335 F336 D337I56-R333 HydrophobicContact CD1-CB 4.12Å; I56-R333 HydrophobicContact CG2-CB 4.05Å; I56-R333 HydrophobicContact CG2-CG 3.86Å; N329-R333 VanDerWaalsContact O-CB 3.24Å; N329-R333 WeakPolarHBondContact O-CB 3.44Å; N329-R333 PolarHBondContact O-N 3.15Å; N330-R333 PolarHBondContact O-N 3.36Å; R333-V335 VanDerWaalsContact C-N 3.3Å; R333-V335 PolarHBondContact O-N 3.33Å; R333-F336 PolarHBondContact O-N 3.14Å; R333-D337 PolarHBondContact O-N 2.69Å
334V89.7Confident90.3Very high102 Ų10238 Ų3862%0.61820%0.204SC*.Hα-helixtrans-60.9-41.6-179.8171.60000111.3N330 A338N330-V334 WeakPolarHBondContact O-CG2 3.47Å; N330-V334 PolarHBondContact O-N 2.92Å; N330-V334 VanDerWaalsContact O-N 3.12Å; V334-A338 PolarHBondContact O-N 2.78Å
335V89.1Confident89.5Confident9 Ų944.8 Ų44.86%0.05523%0.233CC..Hα-helixtrans-69-40.2179.7173.60000110.9F267 H322 T324 N331 I332 R333 A338 V339F267-V335 HydrophobicContact CD1-CG1 4.16Å; F267-V335 HydrophobicContact CE1-CG1 3.23Å; F267-V335 HydrophobicContact CE2-CG1 4.28Å; F267-V335 HydrophobicContact CZ-CB 4.46Å; F267-V335 HydrophobicContact CZ-CG1 3.32Å; H322-V335 HydrophobicContact CB-CG1 3.65Å; H322-V335 HydrophobicContact CB-CG2 4.21Å; T324-V335 HydrophobicContact CG2-CB 4.35Å; T324-V335 HydrophobicContact CG2-CG1 3.91Å; T324-V335 HydrophobicContact CG2-CG2 4.09Å; N331-V335 WeakPolarHBondContact O-CB 3.29Å; N331-V335 WeakPolarHBondContact O-CG2 3.35Å; N331-V335 PolarHBondContact O-N 3.1Å; I332-V335 PolarHBondContact O-N 2.96Å; R333-V335 VanDerWaalsContact C-N 3.3Å; R333-V335 PolarHBondContact O-N 3.33Å; V335-A338 PolarHBondContact O-N 3.08Å; V335-V339 HydrophobicContact CG1-CG2 4.35Å; V335-V339 VanDerWaalsContact O-CG2 3.3Å; V335-V339 WeakPolarHBondContact O-CG2 3.47Å; V335-V339 PolarHBondContact O-N 3.21Å
336F86.9Confident88.6Confident6 Ų645.6 Ų45.63%0.02624%0.239CC..Hα-helixtrans-63.7-42.1176-88.6-54.9000113.2V49 M53 L222 F267 I332 R333 A338 V339 I340V49-F336 HydrophobicContact CG1-CE2 4.07Å; V49-F336 HydrophobicContact CG1-CZ 3.48Å; V49-F336 VanDerWaalsContact CG1-CZ 3.48Å; M53-F336 HydrophobicContact CE-CD1 4.41Å; M53-F336 HydrophobicContact CE-CE1 3.28Å; M53-F336 HydrophobicContact CE-CE2 4.29Å; M53-F336 HydrophobicContact CE-CZ 3.2Å; M53-F336 HydrophobicContact CG-CD2 4.46Å; M53-F336 HydrophobicContact CG-CE1 4.17Å; M53-F336 HydrophobicContact CG-CE2 3.64Å; M53-F336 HydrophobicContact CG-CZ 3.5Å; M53-F336 HydrophobicContact SD-CZ 4.15Å; L222-F336 HydrophobicContact CD2-CE1 4.23Å; L222-F336 HydrophobicContact CD2-CZ 4.4Å; F267-F336 HydrophobicContact CE2-CZ 4.5Å; F267-F336 HydrophobicContact CZ-CE1 4.48Å; I332-F336 HydrophobicContact CG2-CD2 3.32Å; I332-F336 HydrophobicContact CG2-CE2 3.22Å; I332-F336 HydrophobicContact CG2-CZ 4.42Å; I332-F336 WeakPolarHBondContact O-CB 3.46Å; I332-F336 VanDerWaalsContact O-CD2 3.25Å; I332-F336 WeakPolarHBondContact O-CD2 3.42Å; I332-F336 PolarHBondContact O-N 2.69Å; R333-F336 PolarHBondContact O-N 3.14Å; F336-A338 VanDerWaalsContact C-N 3.26Å; F336-A338 PolarHBondContact O-N 2.89Å; F336-V339 PolarHBondContact O-N 2.89Å; F336-V339 VanDerWaalsContact O-N 3.13Å; F336-I340 WeakPolarHBondContact O-CB 3.36Å; F336-I340 WeakPolarHBondContact O-CG1 3.47Å; F336-I340 PolarHBondContact O-N 3Å
337D87.8Confident87.6Confident51 Ų5147 Ų4727%0.27325%0.246SC..Hα-helixtrans-57.3-43.1175.7-73.1-31000110.8R333 I340 D341R333-D337 PolarHBondContact O-N 2.69Å; D337-I340 PolarHBondContact O-N 2.65Å; D337-D341 PolarHBondContact O-N 3.42Å; D337-D341 VanDerWaalsContact O-N 3.09Å
338A87.1Confident86.5Confident34 Ų3448.8 Ų48.828%0.28125%0.254SS..Hα-helixtrans-64.9-40.2175.300000113.3V334 V335 F336 I340 D341 V342V334-A338 PolarHBondContact O-N 2.78Å; V335-A338 PolarHBondContact O-N 3.08Å; F336-A338 VanDerWaalsContact C-N 3.26Å; F336-A338 PolarHBondContact O-N 2.89Å; A338-I340 VanDerWaalsContact C-N 3.34Å; A338-D341 PolarHBondContact O-N 2.72Å; A338-V342 WeakPolarHBondContact O-CG2 3.38Å; A338-V342 PolarHBondContact O-N 2.87Å
339V86.1Confident85.3Confident2 Ų253.2 Ų53.21%0.01227%0.27CS..Hα-helixtrans-63.7-40.8176.6168.20000111.4I265 F267 V335 F336 D341 V342 I343I265-V339 HydrophobicContact CB-CG2 4.4Å; I265-V339 HydrophobicContact CD1-CG1 3.76Å; I265-V339 HydrophobicContact CG1-CG1 3.96Å; I265-V339 HydrophobicContact CG1-CG2 4.13Å; I265-V339 HydrophobicContact CG2-CG2 3.57Å; F267-V339 HydrophobicContact CE1-CG2 3.96Å; F267-V339 HydrophobicContact CZ-CG2 4.28Å; V335-V339 HydrophobicContact CG1-CG2 4.35Å; V335-V339 VanDerWaalsContact O-CG2 3.3Å; V335-V339 WeakPolarHBondContact O-CG2 3.47Å; V335-V339 PolarHBondContact O-N 3.21Å; F336-V339 PolarHBondContact O-N 2.89Å; F336-V339 VanDerWaalsContact O-N 3.13Å; V339-D341 VanDerWaalsContact C-N 3.34Å; V339-V342 WeakPolarHBondContact O-CB 3.43Å; V339-V342 PolarHBondContact O-N 3.41Å; V339-I343 HydrophobicContact CG1-CD1 3.82Å; V339-I343 HydrophobicContact CG1-CG1 4.45Å; V339-I343 WeakPolarHBondContact O-CG1 3.38Å; V339-I343 PolarHBondContact O-N 3.17Å
340I86.5Confident84.2Confident4 Ų456.3 Ų56.32%0.02129%0.287CS..Hα-helixtrans-68.2-38.8-179.2-68.3169.2000110.4F191 F196 F336 D337 A338 V342 I343 I344F191-I340 HydrophobicContact CD1-CD1 3.41Å; F191-I340 VanDerWaalsContact CD1-CD1 3.41Å; F191-I340 HydrophobicContact CE1-CD1 3.29Å; F191-I340 HydrophobicContact CE1-CG2 4.32Å; F191-I340 HydrophobicContact CG-CD1 4.45Å; F191-I340 HydrophobicContact CZ-CD1 4.31Å; F196-I340 HydrophobicContact CE1-CG1 4.47Å; F196-I340 HydrophobicContact CZ-CD1 4.18Å; F196-I340 HydrophobicContact CZ-CG1 3.95Å; F336-I340 WeakPolarHBondContact O-CB 3.36Å; F336-I340 WeakPolarHBondContact O-CG1 3.47Å; F336-I340 PolarHBondContact O-N 3Å; D337-I340 PolarHBondContact O-N 2.65Å; A338-I340 VanDerWaalsContact C-N 3.34Å; I340-V342 VanDerWaalsContact C-N 3.27Å; I340-V342 PolarHBondContact O-N 2.86Å; I340-I343 PolarHBondContact O-N 3.46Å; I340-I344 HydrophobicContact CG2-CD1 3.68Å; I340-I344 HydrophobicContact CG2-CG1 4.27Å; I340-I344 WeakPolarHBondContact O-CB 3.29Å; I340-I344 VanDerWaalsContact O-CG1 3.28Å; I340-I344 WeakPolarHBondContact O-CG1 3.21Å; I340-I344 PolarHBondContact O-N 2.99Å
341D85.9Confident82.8Confident76 Ų7653.3 Ų53.341%0.40628%0.275SS..Hα-helixtrans-61.7-36.2173.6-72.8-10.4000112.1D337 A338 V339 K345D337-D341 PolarHBondContact O-N 3.42Å; D337-D341 VanDerWaalsContact O-N 3.09Å; A338-D341 PolarHBondContact O-N 2.72Å; V339-D341 VanDerWaalsContact C-N 3.34Å; D341-K345 WeakPolarHBondContact O-CB 3.41Å; D341-K345 WeakPolarHBondContact O-CD 3.45Å; D341-K345 WeakPolarHBondContact O-CG 3.4Å; D341-K345 PolarHBondContact O-N 3.1Å; D341-K345 VanDerWaalsContact O-N 3.09Å
342V83.9Confident81.1Confident16 Ų1655.2 Ų55.210%0.09730%0.3CS..Hα-helixtrans-66.2-47173.4169.50000111.3Y320 A338 V339 I340 I344 K345 S346Y320-V342 HydrophobicContact CD1-CG1 4.15Å; Y320-V342 HydrophobicContact CD1-CG2 3.61Å; Y320-V342 HydrophobicContact CD2-CG1 3.58Å; Y320-V342 HydrophobicContact CD2-CG2 4.49Å; Y320-V342 HydrophobicContact CE1-CB 4.49Å; Y320-V342 HydrophobicContact CE1-CG1 3.94Å; Y320-V342 HydrophobicContact CE1-CG2 3.67Å; Y320-V342 HydrophobicContact CE2-CG1 3.33Å; Y320-V342 HydrophobicContact CG-CG1 3.96Å; Y320-V342 HydrophobicContact CG-CG2 4.03Å; A338-V342 WeakPolarHBondContact O-CG2 3.38Å; A338-V342 PolarHBondContact O-N 2.87Å; V339-V342 WeakPolarHBondContact O-CB 3.43Å; V339-V342 PolarHBondContact O-N 3.41Å; I340-V342 VanDerWaalsContact C-N 3.27Å; I340-V342 PolarHBondContact O-N 2.86Å; V342-I344 PolarHBondContact O-N 3.37Å; V342-K345 PolarHBondContact O-N 2.93Å; V342-S346 PolarHBondContact O-N 3.06Å
343I84.9Confident79.3Confident2 Ų261 Ų611%0.0133%0.33CS..Hα-helixtrans-62.1-45.6180-68.5168.4000110.6V34 L36 F196 T219 A220 V339 I340 K345 S346 N347V34-I343 HydrophobicContact CG1-CD1 4.27Å; V34-I343 HydrophobicContact CG1-CG2 3.89Å; V34-I343 HydrophobicContact CG2-CG2 4.07Å; L36-I343 HydrophobicContact CD1-CD1 4.46Å; F196-I343 HydrophobicContact CE1-CD1 4.46Å; T219-I343 HydrophobicContact CG2-CG2 3.97Å; A220-I343 HydrophobicContact CB-CD1 4.05Å; A220-I343 HydrophobicContact CB-CG1 3.95Å; V339-I343 HydrophobicContact CG1-CD1 3.82Å; V339-I343 HydrophobicContact CG1-CG1 4.45Å; V339-I343 WeakPolarHBondContact O-CG1 3.38Å; V339-I343 PolarHBondContact O-N 3.17Å; I340-I343 PolarHBondContact O-N 3.46Å; I343-K345 VanDerWaalsContact C-N 3.35Å; I343-K345 PolarHBondContact O-N 3.42Å; I343-S346 WeakPolarHBondContact O-CB 3.38Å; I343-S346 PolarHBondContact O-N 2.89Å; I343-N347 PolarHBondContact O-N 3.25Å
344I82.9Confident77Confident52 Ų5265.5 Ų65.527%0.26735%0.354SS..Hα-helixtrans-60.9-45.3178.1-70.8169000110.5L194 I340 V342 S346 N347 L348L194-I344 HydrophobicContact CD1-CD1 4.08Å; L194-I344 HydrophobicContact CD1-CG1 3.77Å; I340-I344 HydrophobicContact CG2-CD1 3.68Å; I340-I344 HydrophobicContact CG2-CG1 4.27Å; I340-I344 WeakPolarHBondContact O-CB 3.29Å; I340-I344 VanDerWaalsContact O-CG1 3.28Å; I340-I344 WeakPolarHBondContact O-CG1 3.21Å; I340-I344 PolarHBondContact O-N 2.99Å; V342-I344 PolarHBondContact O-N 3.37Å; I344-S346 VanDerWaalsContact C-N 3.31Å; I344-S346 PolarHBondContact O-N 3.46Å; I344-N347 PolarHBondContact O-N 2.74Å; I344-L348 HydrophobicContact CG2-CD1 3.87Å; I344-L348 HydrophobicContact CG2-CG 4.33Å; I344-L348 WeakPolarHBondContact O-CB 3.38Å; I344-L348 VanDerWaalsContact O-CG 3.28Å; I344-L348 WeakPolarHBondContact O-CG 3.07Å; I344-L348 PolarHBondContact O-N 3.18Å
345K80.4Confident76.3Confident144 Ų14463.7 Ų63.763%0.62634%0.341SS*.Hα-helixtrans-60.6-40.6176.8-74.9170.5-172.9176.30112.2D341 V342 I343 K349D341-K345 WeakPolarHBondContact O-CB 3.41Å; D341-K345 WeakPolarHBondContact O-CD 3.45Å; D341-K345 WeakPolarHBondContact O-CG 3.4Å; D341-K345 PolarHBondContact O-N 3.1Å; D341-K345 VanDerWaalsContact O-N 3.09Å; V342-K345 PolarHBondContact O-N 2.93Å; I343-K345 VanDerWaalsContact C-N 3.35Å; I343-K345 PolarHBondContact O-N 3.42Å; K345-K349 PolarHBondContact O-N 3.3Å; K345-K349 VanDerWaalsContact O-N 3.15Å
346S77.5Confident75.7Confident25 Ų2566.5 Ų66.518%0.17536%0.356CS..Hα-helixtrans-63.3-51.7176.1-162.60000111.1S263 V342 I343 I344 L348 K349 D350S263-S346 PolarHBondContact OG-OG 3.47Å; V342-S346 PolarHBondContact O-N 3.06Å; I343-S346 WeakPolarHBondContact O-CB 3.38Å; I343-S346 PolarHBondContact O-N 2.89Å; I344-S346 VanDerWaalsContact C-N 3.31Å; I344-S346 PolarHBondContact O-N 3.46Å; S346-L348 VanDerWaalsContact C-N 3.3Å; S346-L348 PolarHBondContact O-N 3.38Å; S346-K349 WeakPolarHBondContact O-CB 3.31Å; S346-K349 PolarHBondContact O-N 3.21Å; S346-K349 VanDerWaalsContact O-N 3.09Å; S346-D350 PolarHBondContact O-N 3.49Å
347N75.2Confident75Confident34 Ų3469.9 Ų69.918%0.18237%0.374CS..Hα-helixtrans-59.6-39-179.9-76.40.8000112.4T219 I343 I344 D350 C351T219-N347 WeakPolarHBondContact CG2-OD1 3.37Å; I343-N347 PolarHBondContact O-N 3.25Å; I344-N347 PolarHBondContact O-N 2.74Å; N347-D350 PolarHBondContact O-N 3.43Å; N347-C351 PolarHBondContact O-N 2.79Å; N347-C351 PolarHBondContact O-SG 2.87Å
348L72.4Confident74.3Confident69 Ų6971 Ų7136%0.36138%0.38SS..Hα-helixtrans-66.9-37.2176.9-72.2173.6000112.6I344 S346 C351 G352 L353I344-L348 HydrophobicContact CG2-CD1 3.87Å; I344-L348 HydrophobicContact CG2-CG 4.33Å; I344-L348 WeakPolarHBondContact O-CB 3.38Å; I344-L348 VanDerWaalsContact O-CG 3.28Å; I344-L348 WeakPolarHBondContact O-CG 3.07Å; I344-L348 PolarHBondContact O-N 3.18Å; S346-L348 VanDerWaalsContact C-N 3.3Å; S346-L348 PolarHBondContact O-N 3.38Å; L348-C351 PolarHBondContact O-N 2.96Å; L348-G352 PolarHBondContact O-N 3.14Å; L348-L353 HydrophobicContact CD2-CD1 4.13Å; L348-L353 PolarHBondContact O-N 3.32Å
349K71.3Confident73.5Confident154 Ų15473.3 Ų73.367%0.6739%0.386SS*.Hα-helixtrans-65-43.2175.7-173.7-177.2176.9-173.40111.3K345 S346 C351 G352K345-K349 PolarHBondContact O-N 3.3Å; K345-K349 VanDerWaalsContact O-N 3.15Å; S346-K349 WeakPolarHBondContact O-CB 3.31Å; S346-K349 PolarHBondContact O-N 3.21Å; S346-K349 VanDerWaalsContact O-N 3.09Å; K349-C351 PolarHBondContact O-N 2.81Å; K349-G352 PolarHBondContact O-N 2.98Å
350D69Low72.6Confident121 Ų12178.1 Ų78.165%0.64741%0.411SS*.Hα-helixtrans-64.9-24.2178.7-62.6-23.3000112.2S346 N347S346-D350 PolarHBondContact O-N 3.49Å; N347-D350 PolarHBondContact O-N 3.43Å
351C64.8Low71.7Confident61 Ų6183.4 Ų83.441%0.41244%0.439SS..THydrogen-bonded Turntrans-86.2-1.1175.1-620000114.5M31 N347 L348 K349 L353M31-C351 HydrophobicContact CE-CB 4.47Å; N347-C351 PolarHBondContact O-N 2.79Å; N347-C351 PolarHBondContact O-SG 2.87Å; L348-C351 PolarHBondContact O-N 2.96Å; K349-C351 PolarHBondContact O-N 2.81Å; C351-L353 VanDerWaalsContact C-N 3.29Å; C351-L353 HydrophobicContact CB-CD1 4.23Å; C351-L353 HydrophobicContact CB-CG 4.32Å; C351-L353 PolarHBondContact O-N 3.37Å
352G58.2Low70.6Confident64 Ų6483.9 Ų83.966%0.6644%0.442SS*.THydrogen-bonded Turntrans70.121.5-177.900000114.7L348 K349 F354L348-G352 PolarHBondContact O-N 3.14Å; K349-G352 PolarHBondContact O-N 2.98Å; G352-F354 VanDerWaalsContact C-N 3.34Å
353L53.8Low69.5Low121 Ų12189.6 Ų89.663%0.63447%0.47SS*.  trans-92.613.8179.5-69.6171.4000113.3L348 C351L348-L353 HydrophobicContact CD2-CD1 4.13Å; L348-L353 PolarHBondContact O-N 3.32Å; C351-L353 VanDerWaalsContact C-N 3.29Å; C351-L353 HydrophobicContact CB-CD1 4.23Å; C351-L353 HydrophobicContact CB-CG 4.32Å; C351-L353 PolarHBondContact O-N 3.37Å
354F43.1Very low68.1Low228 Ų22897.5 Ų97.5100%151%0.512SS*.  trans-1370179.3-136.7-82.3000112.9G352G352-F354 VanDerWaalsContact C-N 3.34Å

Retrieved 354 of 354 residues in 358.2 ms (Link to these results)

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