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Guanine nucleotide-binding protein G(s) subunit alpha

Guanine nucleotide-binding proteins (G proteins) are involved as modulators or transducers in various transmembrane signaling systems. The G(s) protein is involved in hormonal regulation of adenylate cyclase: it activates the cyclase in response to beta-adrenergic stimuli.

AlphaFold DB , UniProt , Accession P30669, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 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
1M40.4Very low50.7Low231 Ų231119.2 Ų119.2100%1.13869%0.687SS**  0100.50-159.3175.9-166.700106.7I3M1-I3 PolarHBondContact O-N 3.16Å; M1-I3 VanDerWaalsContact O-N 3.16Å
2V41.9Very low52.6Low144 Ų144114 Ų11487%0.87366%0.663SS**  trans-75.3102.6179.7179.10000106.7G4V2-G4 PolarHBondContact O-N 2.88Å
3I42.7Very low54.4Low153 Ų153114.8 Ų114.879%0.78566%0.657SS**  trans-73.2106.5168.7-63.9169.4000105.2M1 C5M1-I3 PolarHBondContact O-N 3.16Å; M1-I3 VanDerWaalsContact O-N 3.16Å; I3-C5 PolarHBondContact O-N 3.19Å
4G45.6Very low56.3Low50 Ų50112.6 Ų112.652%0.51564%0.642SS.*  trans-59.1124.4-173.900000112.4V2 C6V2-G4 PolarHBondContact O-N 2.88Å; G4-C6 PolarHBondContact O-N 3.34Å
5C52.5Low58Low98 Ų98108.7 Ų108.766%0.66263%0.629SS**  trans-68.639173.3-73.20000113.9I3 T7I3-C5 PolarHBondContact O-N 3.19Å; C5-T7 PolarHBondContact O-N 3.25Å
6C51.5Low59.5Low104 Ų104110.9 Ų110.970%0.70363%0.629SS**THydrogen-bonded Turntrans-75.70.5177.9-66.70000113.5G4G4-C6 PolarHBondContact O-N 3.34Å
7T54Low61Low98 Ų98109.7 Ų109.760%0.60162%0.624SS**Hα-helixtrans-88.2-27179.939.20000114.5C5 I11C5-T7 PolarHBondContact O-N 3.25Å; T7-I11 WeakPolarHBondContact O-CD1 3.3Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.45Å
8L54.3Low62.3Low113 Ų113113.2 Ų113.259%0.59263%0.626SS**Hα-helixtrans-73.6-36.8-171.8-80.8156.4000114I11 S12L8-I11 PolarHBondContact O-N 3.29Å; L8-S12 PolarHBondContact O-N 3.38Å
9N55.5Low63.7Low120 Ų120109.7 Ų109.764%0.64261%0.611SS**Hα-helixtrans-67.3-42.3178.8-79.1-0.9000111.5I11 S12 E13N9-I11 VanDerWaalsContact C-N 3.34Å; N9-I11 PolarHBondContact O-N 3.16Å; N9-S12 PolarHBondContact O-N 2.87Å; N9-S12 VanDerWaalsContact O-N 3.16Å; N9-S12 PolarHBondContact O-OG 3Å; N9-E13 PolarHBondContact O-N 3.27Å; N9-E13 VanDerWaalsContact O-N 3.08Å
10N55.8Low65Low96 Ų96108.4 Ų108.451%0.51360%0.602SS.*Hα-helixtrans-60.7-40.9177.1-70.2-1.3000111.8S12 E13 D14N10-S12 VanDerWaalsContact C-N 3.31Å; N10-S12 PolarHBondContact O-N 3.39Å; N10-E13 PolarHBondContact O-N 3.35Å; N10-D14 VanDerWaalsContact O-CB 3.29Å; N10-D14 WeakPolarHBondContact O-CB 3.29Å; N10-D14 PolarHBondContact O-N 3.41Å
11I63.2Low66.1Low104 Ų104105.2 Ų105.253%0.53359%0.59SS.*Hα-helixtrans-63.4-37.1177.7-65.4164.1000111.5T7 L8 N9 A15T7-I11 WeakPolarHBondContact O-CD1 3.3Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.45Å; L8-I11 PolarHBondContact O-N 3.29Å; N9-I11 VanDerWaalsContact C-N 3.34Å; N9-I11 PolarHBondContact O-N 3.16Å; I11-A15 WeakPolarHBondContact O-CB 3.49Å; I11-A15 PolarHBondContact O-N 3.06Å
12S74.4Confident68.6Low57 Ų5798.7 Ų98.740%0.39956%0.56SS.*Hα-helixtrans-72.8-37.6-179.388.60000112.6L8 N9 N10 K16L8-S12 PolarHBondContact O-N 3.38Å; N9-S12 PolarHBondContact O-N 2.87Å; N9-S12 VanDerWaalsContact O-N 3.16Å; N9-S12 PolarHBondContact O-OG 3Å; N10-S12 VanDerWaalsContact C-N 3.31Å; N10-S12 PolarHBondContact O-N 3.39Å; S12-K16 WeakPolarHBondContact O-CG 3.34Å; S12-K16 PolarHBondContact O-N 3.08Å; S12-K16 VanDerWaalsContact O-N 3.12Å
13E75.4Confident71Confident125 Ų12597.1 Ų97.158%0.58454%0.541SS*.Hα-helixtrans-66.7-48.6173.4-72.4-175.8174.300109.4N9 N10 A15 K16 T17N9-E13 PolarHBondContact O-N 3.27Å; N9-E13 VanDerWaalsContact O-N 3.08Å; N10-E13 PolarHBondContact O-N 3.35Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 3.12Å; E13-K16 PolarHBondContact O-N 2.94Å; E13-T17 PolarHBondContact O-N 3.22Å; E13-T17 PolarHBondContact O-OG1 3.42Å
14D81Confident73.4Confident83 Ų8396.1 Ų96.144%0.44453%0.533SS..Hα-helixtrans-53.4-45.1175.1-76.4-18.1000111.9N10 T17 R18N10-D14 VanDerWaalsContact O-CB 3.29Å; N10-D14 WeakPolarHBondContact O-CB 3.29Å; N10-D14 PolarHBondContact O-N 3.41Å; D14-T17 WeakPolarHBondContact CA-OG1 3.24Å; D14-T17 PolarHBondContact O-N 2.86Å; D14-T17 PolarHBondContact O-OG1 2.73Å; D14-R18 WeakPolarHBondContact O-CB 3.39Å; D14-R18 VanDerWaalsContact O-CG 3.24Å; D14-R18 WeakPolarHBondContact O-CG 3.34Å; D14-R18 PolarHBondContact O-N 2.86Å
15A81.4Confident75.6Confident55 Ų5598 Ų9846%0.45553%0.53SS..Hα-helixtrans-64.4-40.8178.200000112.8I11 E13 R18 S19I11-A15 WeakPolarHBondContact O-CB 3.49Å; I11-A15 PolarHBondContact O-N 3.06Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 3.12Å; A15-R18 PolarHBondContact O-N 2.93Å; A15-S19 WeakPolarHBondContact O-CB 3.23Å; A15-S19 PolarHBondContact O-N 3.47Å
16K83.2Confident77.5Confident144 Ų14498.9 Ų98.963%0.62653%0.525SS*.Hα-helixtrans-65.1-48.3174.1-75.6178.6-178.3174.20111.3S12 E13 R18 S19 D20S12-K16 WeakPolarHBondContact O-CG 3.34Å; S12-K16 PolarHBondContact O-N 3.08Å; S12-K16 VanDerWaalsContact O-N 3.12Å; E13-K16 PolarHBondContact O-N 2.94Å; K16-R18 VanDerWaalsContact C-N 3.3Å; K16-R18 PolarHBondContact O-N 2.86Å; K16-S19 WeakPolarHBondContact O-CB 3.43Å; K16-S19 PolarHBondContact O-N 3.14Å; K16-S19 VanDerWaalsContact O-N 3.14Å; K16-D20 PolarHBondContact O-N 3.34Å
17T85.1Confident79.4Confident90 Ų90101.1 Ų101.155%0.55252%0.523SS*.Hα-helixtrans-58.2-40.3175.313.30000112.4E13 D14 D20 A21E13-T17 PolarHBondContact O-N 3.22Å; E13-T17 PolarHBondContact O-OG1 3.42Å; D14-T17 WeakPolarHBondContact CA-OG1 3.24Å; D14-T17 PolarHBondContact O-N 2.86Å; D14-T17 PolarHBondContact O-OG1 2.73Å; T17-D20 PolarHBondContact O-N 2.87Å; T17-A21 VanDerWaalsContact O-CB 3.23Å; T17-A21 WeakPolarHBondContact O-CB 3.48Å; T17-A21 PolarHBondContact O-N 3.48Å
18R83.7Confident81.3Confident172 Ų172101.3 Ų101.365%0.64952%0.519SS*.Hα-helixtrans-65.2-43.4174.6-74.5174.7-171.1-172.14.9112.4D14 A15 K16 A21 N22D14-R18 WeakPolarHBondContact O-CB 3.39Å; D14-R18 VanDerWaalsContact O-CG 3.24Å; D14-R18 WeakPolarHBondContact O-CG 3.34Å; D14-R18 PolarHBondContact O-N 2.86Å; A15-R18 PolarHBondContact O-N 2.93Å; K16-R18 VanDerWaalsContact C-N 3.3Å; K16-R18 PolarHBondContact O-N 2.86Å; R18-A21 PolarHBondContact O-N 2.87Å; R18-N22 WeakPolarHBondContact O-CB 3.35Å; R18-N22 VanDerWaalsContact O-CG 3.23Å; R18-N22 PolarHBondContact O-N 3.45Å
19S88.6Confident83.1Confident48 Ų4899.4 Ų99.434%0.33651%0.509SS..Hα-helixtrans-60.8-44.9175.3158.50000111.4A15 K16 N22 K23A15-S19 WeakPolarHBondContact O-CB 3.23Å; A15-S19 PolarHBondContact O-N 3.47Å; K16-S19 WeakPolarHBondContact O-CB 3.43Å; K16-S19 PolarHBondContact O-N 3.14Å; K16-S19 VanDerWaalsContact O-N 3.14Å; S19-N22 PolarHBondContact O-N 2.97Å; S19-K23 WeakPolarHBondContact O-CG 3.34Å; S19-K23 PolarHBondContact O-N 3.39Å
20D89.5Confident84.7Confident83 Ų83100.2 Ų100.244%0.44451%0.509SS..Hα-helixtrans-70.1-39.1-179.2-68.3-19.4000111.7K16 T17 K23 Q24K16-D20 PolarHBondContact O-N 3.34Å; T17-D20 PolarHBondContact O-N 2.87Å; D20-K23 PolarHBondContact O-N 3.46Å; D20-Q24 VanDerWaalsContact O-CG 3.3Å; D20-Q24 WeakPolarHBondContact O-CG 3.25Å; D20-Q24 PolarHBondContact O-N 3.21Å
21A89.4Confident86.4Confident42 Ų42102 Ų10235%0.34751%0.512SS..Hα-helixtrans-60.9-46170.900000111.7T17 R18 K23 Q24 I25T17-A21 VanDerWaalsContact O-CB 3.23Å; T17-A21 WeakPolarHBondContact O-CB 3.48Å; T17-A21 PolarHBondContact O-N 3.48Å; R18-A21 PolarHBondContact O-N 2.87Å; A21-K23 PolarHBondContact O-N 3.42Å; A21-Q24 PolarHBondContact O-N 3Å; A21-I25 VanDerWaalsContact O-CG1 3.25Å; A21-I25 WeakPolarHBondContact O-CG1 3.31Å; A21-I25 PolarHBondContact O-N 3.14Å
22N92.1Very high87.6Confident94 Ų94103.5 Ų103.550%0.50352%0.517SS..Hα-helixtrans-60.4-45.4177-76.7-8.2000111.7R18 S19 Q24 I25 E26R18-N22 WeakPolarHBondContact O-CB 3.35Å; R18-N22 VanDerWaalsContact O-CG 3.23Å; R18-N22 PolarHBondContact O-N 3.45Å; S19-N22 PolarHBondContact O-N 2.97Å; N22-Q24 VanDerWaalsContact C-N 3.31Å; N22-Q24 PolarHBondContact O-N 3.39Å; N22-I25 PolarHBondContact O-N 2.85Å; N22-E26 WeakPolarHBondContact O-CG 3.37Å; N22-E26 PolarHBondContact O-N 2.96Å
23K92.1Very high88.3Confident111 Ų111107.1 Ų107.148%0.48353%0.525SS..Hα-helixtrans-62-37175.5-72.6173-174.71730112.5S19 D20 A21 K27S19-K23 WeakPolarHBondContact O-CG 3.34Å; S19-K23 PolarHBondContact O-N 3.39Å; D20-K23 PolarHBondContact O-N 3.46Å; A21-K23 PolarHBondContact O-N 3.42Å; K23-K27 VanDerWaalsContact O-CG 3.31Å; K23-K27 WeakPolarHBondContact O-CG 3.28Å; K23-K27 PolarHBondContact O-N 2.87Å; K23-K27 VanDerWaalsContact O-N 3.14Å
24Q92.2Very high88.8Confident132 Ų132108.7 Ų108.762%0.61753%0.531SS*.Hα-helixtrans-67.3-43174.9-74176.97.100111.3D20 A21 N22 K27 L28D20-Q24 VanDerWaalsContact O-CG 3.3Å; D20-Q24 WeakPolarHBondContact O-CG 3.25Å; D20-Q24 PolarHBondContact O-N 3.21Å; A21-Q24 PolarHBondContact O-N 3Å; N22-Q24 VanDerWaalsContact C-N 3.31Å; N22-Q24 PolarHBondContact O-N 3.39Å; Q24-K27 PolarHBondContact O-N 3.39Å; Q24-L28 WeakPolarHBondContact O-CG 3.3Å; Q24-L28 PolarHBondContact O-N 3.18Å
25I91.9Very high89.1Confident88 Ų88108.2 Ų108.245%0.45153%0.528SS..Hα-helixtrans-61.7-46.5176.1-69.2164.3000110.6A21 N22 K27 L28 I29A21-I25 VanDerWaalsContact O-CG1 3.25Å; A21-I25 WeakPolarHBondContact O-CG1 3.31Å; A21-I25 PolarHBondContact O-N 3.14Å; N22-I25 PolarHBondContact O-N 2.85Å; I25-K27 PolarHBondContact O-N 2.86Å; I25-L28 WeakPolarHBondContact O-CB 3.33Å; I25-L28 PolarHBondContact O-N 3.15Å; I25-L28 VanDerWaalsContact O-N 3.15Å; I25-I29 HydrophobicContact CG2-CD1 3.66Å; I25-I29 HydrophobicContact CG2-CG1 4.29Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.43Å
26E92.7Very high89.3Confident117 Ų117109.4 Ų109.455%0.54752%0.523SS..Hα-helixtrans-58.4-46.2177.4-75.3173.3177.400111.8N22 L28 I29 E30N22-E26 WeakPolarHBondContact O-CG 3.37Å; N22-E26 PolarHBondContact O-N 2.96Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.91Å; E26-I29 PolarHBondContact O-N 3.46Å; E26-E30 WeakPolarHBondContact O-CG 3.28Å; E26-E30 PolarHBondContact O-N 3.06Å
27K92.8Very high89.3Confident151 Ų151108.6 Ų108.666%0.65752%0.519SS*.Hα-helixtrans-61-39.1175.4-74.9176.7-179.6-178.60112.6K23 Q24 I25 K31K23-K27 VanDerWaalsContact O-CG 3.31Å; K23-K27 WeakPolarHBondContact O-CG 3.28Å; K23-K27 PolarHBondContact O-N 2.87Å; K23-K27 VanDerWaalsContact O-N 3.14Å; Q24-K27 PolarHBondContact O-N 3.39Å; I25-K27 PolarHBondContact O-N 2.86Å; K27-K31 WeakPolarHBondContact O-CB 3.37Å; K27-K31 PolarHBondContact O-N 3.4Å
28L92Very high89.4Confident102 Ų102107 Ų10753%0.53451%0.512SS..Hα-helixtrans-66.5-43.8175.8-72.2173.1000111.1Q24 I25 E26 E30 K31 E32Q24-L28 WeakPolarHBondContact O-CG 3.3Å; Q24-L28 PolarHBondContact O-N 3.18Å; I25-L28 WeakPolarHBondContact O-CB 3.33Å; I25-L28 PolarHBondContact O-N 3.15Å; I25-L28 VanDerWaalsContact O-N 3.15Å; E26-L28 VanDerWaalsContact C-N 3.32Å; E26-L28 PolarHBondContact O-N 2.91Å; L28-E30 PolarHBondContact O-N 2.84Å; L28-K31 PolarHBondContact O-N 3.22Å; L28-E32 WeakPolarHBondContact O-CB 3.5Å; L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 3.4Å
29I92.1Very high89.9Confident73 Ų73100 Ų10037%0.37449%0.488SS..Hα-helixtrans-60.6-44.3176.6-69.5167.2000111I25 E26 E32 K33I25-I29 HydrophobicContact CG2-CD1 3.66Å; I25-I29 HydrophobicContact CG2-CG1 4.29Å; I25-I29 VanDerWaalsContact O-CG1 3.28Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 3.43Å; E26-I29 PolarHBondContact O-N 3.46Å; I29-E32 PolarHBondContact O-N 2.82Å; I29-K33 HydrophobicContact CG2-CD 4.05Å; I29-K33 HydrophobicContact CG2-CG 4.4Å; I29-K33 WeakPolarHBondContact O-CB 3.4Å; I29-K33 VanDerWaalsContact O-CG 3.28Å; I29-K33 WeakPolarHBondContact O-CG 3.43Å; I29-K33 PolarHBondContact O-N 3.26Å
30E91.1Very high90.1Very high138 Ų13898.2 Ų98.265%0.64548%0.475SS*.Hα-helixtrans-62.8-43.7176.9-74.8-178.6173.100112E26 L28 K33 K34E26-E30 WeakPolarHBondContact O-CG 3.28Å; E26-E30 PolarHBondContact O-N 3.06Å; L28-E30 PolarHBondContact O-N 2.84Å; E30-K33 PolarHBondContact O-N 3.42Å; E30-K34 PolarHBondContact O-N 3.49Å
31K89.9Confident90.4Very high134 Ų13496 Ų9658%0.58346%0.46SS*.Hα-helixtrans-62.7-44176.1-175-179.1177.7-176.30111.5K27 L28 K34 N35K27-K31 WeakPolarHBondContact O-CB 3.37Å; K27-K31 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 3.22Å; K31-K34 PolarHBondContact O-N 3.36Å; K31-N35 WeakPolarHBondContact O-CB 3.5Å; K31-N35 VanDerWaalsContact O-CG 3.26Å; K31-N35 PolarHBondContact O-N 3.19Å
32E89.1Confident90.7Very high134 Ų13494 Ų9463%0.62644%0.444SS*.Hα-helixtrans-65.7-41.9177-76.7-172.6168.800112.1L28 I29 K34 N35 F36L28-E32 WeakPolarHBondContact O-CB 3.5Å; L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 3.4Å; I29-E32 PolarHBondContact O-N 2.82Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.15Å; E32-N35 PolarHBondContact O-N 2.97Å; E32-F36 WeakPolarHBondContact O-CB 3.36Å; E32-F36 PolarHBondContact O-N 3.34Å
33K88.2Confident91Very high133 Ų13389.6 Ų89.658%0.57842%0.42SS*.Hα-helixtrans-59.3-42.5173.4-78.1176179.7176.60111.6I29 E30 F36 K37I29-K33 HydrophobicContact CG2-CD 4.05Å; I29-K33 HydrophobicContact CG2-CG 4.4Å; I29-K33 WeakPolarHBondContact O-CB 3.4Å; I29-K33 VanDerWaalsContact O-CG 3.28Å; I29-K33 WeakPolarHBondContact O-CG 3.43Å; I29-K33 PolarHBondContact O-N 3.26Å; E30-K33 PolarHBondContact O-N 3.42Å; K33-F36 PolarHBondContact O-N 3.41Å; K33-K37 WeakPolarHBondContact O-CB 3.46Å; K33-K37 WeakPolarHBondContact O-CG 3.43Å; K33-K37 PolarHBondContact O-N 3Å
34K86.5Confident91.3Very high159 Ų15984.3 Ų84.369%0.69140%0.397SS*.Hα-helixtrans-64.4-46.8176.7-172.3177.2-179.7178.30111.4E30 K31 E32 F36 K37 S38E30-K34 PolarHBondContact O-N 3.49Å; K31-K34 PolarHBondContact O-N 3.36Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.15Å; K34-F36 VanDerWaalsContact C-N 3.34Å; K34-F36 PolarHBondContact O-N 3.08Å; K34-K37 PolarHBondContact O-N 2.75Å; K34-S38 PolarHBondContact O-N 3.29Å; K34-S38 VanDerWaalsContact O-N 3.12Å; K34-S38 PolarHBondContact O-OG 3.34Å
35N86.6Confident91.6Very high73 Ų7378 Ų7839%0.3937%0.367SS..Hα-helixtrans-63.1-41177.5-72.8-10000111.9K31 E32 S38 T39K31-N35 WeakPolarHBondContact O-CB 3.5Å; K31-N35 VanDerWaalsContact O-CG 3.26Å; K31-N35 PolarHBondContact O-N 3.19Å; E32-N35 PolarHBondContact O-N 2.97Å; N35-S38 PolarHBondContact O-N 2.92Å; N35-S38 PolarHBondContact O-OG 3.34Å; N35-S38 VanDerWaalsContact O-OG 3.14Å; N35-T39 WeakPolarHBondContact O-CB 3.38Å; N35-T39 PolarHBondContact O-N 2.97Å; N35-T39 VanDerWaalsContact O-N 3.1Å; N35-T39 PolarHBondContact O-OG1 2.94Å
36F85.6Confident91.9Very high79 Ų7973.8 Ų73.835%0.34635%0.346SS..Hα-helixtrans-60.8-47.4176.7-177.6-91.3000110.7E32 K33 K34 S38 T39 D224E32-F36 WeakPolarHBondContact O-CB 3.36Å; E32-F36 PolarHBondContact O-N 3.34Å; K33-F36 PolarHBondContact O-N 3.41Å; K34-F36 VanDerWaalsContact C-N 3.34Å; K34-F36 PolarHBondContact O-N 3.08Å; F36-S38 VanDerWaalsContact C-N 3.29Å; F36-S38 PolarHBondContact O-N 3.14Å; F36-T39 PolarHBondContact O-N 3.32Å; F36-T39 VanDerWaalsContact O-N 3.16Å; F36-D224 HydrophobicContact CE1-CB 4.1Å; F36-D224 HydrophobicContact CZ-CB 3.67Å
37K84.7Confident92.1Very high128 Ų12868.6 Ų68.656%0.55732%0.323SS*.Hα-helixtrans-61.2-35.3178.2-76.3-175.2179.1-170.20113.2K33 K34 H372 Y376K33-K37 WeakPolarHBondContact O-CB 3.46Å; K33-K37 WeakPolarHBondContact O-CG 3.43Å; K33-K37 PolarHBondContact O-N 3Å; K34-K37 PolarHBondContact O-N 2.75Å; K37-H372 PolarHBondContact O-CE1 3.44Å; K37-H372 PolarHBondContact O-NE2 2.76Å; K37-Y376 WeakPolarHBondContact CA-OH 3.22Å; K37-Y376 HydrophobicContact CB-CE1 4.37Å; K37-Y376 HydrophobicContact CD-CE1 4.43Å; K37-Y376 HydrophobicContact CG-CE1 4.02Å; K37-Y376 WeakPolarHBondContact O-CE2 3.42Å; K37-Y376 PolarHBondContact O-OH 3.1Å
38S87.5Confident92.1Very high55 Ų5562.5 Ų62.539%0.38530%0.302SS..THydrogen-bonded Turntrans-88.1-1.2179.368.30000114.4K34 N35 F36K34-S38 PolarHBondContact O-N 3.29Å; K34-S38 VanDerWaalsContact O-N 3.12Å; K34-S38 PolarHBondContact O-OG 3.34Å; N35-S38 PolarHBondContact O-N 2.92Å; N35-S38 PolarHBondContact O-OG 3.34Å; N35-S38 VanDerWaalsContact O-OG 3.14Å; F36-S38 VanDerWaalsContact C-N 3.29Å; F36-S38 PolarHBondContact O-N 3.14Å
39T93Very high92.3Very high25 Ų2558.9 Ų58.915%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-95.1127.1-178.1-62.90000110N35 F36 N202 H204N35-T39 WeakPolarHBondContact O-CB 3.38Å; N35-T39 PolarHBondContact O-N 2.97Å; N35-T39 VanDerWaalsContact O-N 3.1Å; N35-T39 PolarHBondContact O-OG1 2.94Å; F36-T39 PolarHBondContact O-N 3.32Å; F36-T39 VanDerWaalsContact O-N 3.16Å; T39-N202 WeakPolarHBondContact CA-O 3.4Å; T39-N202 HydrophobicContact CG2-CB 4.13Å; T39-H204 HydrophobicContact CG2-CB 3.7Å
40H93.6Very high92.5Very high12 Ų1255.6 Ų55.66%0.05627%0.266CS..EExtended strand (participates in β ladder)trans-83.3120.7177-62.868.3000109.1V201 N202 F203 H204 T226 I368 H372H40-V201 VanDerWaalsContact CE1-CG1 3.45Å; H40-V201 WeakPolarHBondContact CE1-CG1 3.46Å; H40-V201 VanDerWaalsContact ND1-CG1 3.29Å; H40-V201 WeakPolarHBondContact ND1-CG1 3.41Å; H40-N202 PolarHBondContact N-O 3.4Å; H40-F203 HydrophobicContact CB-CD1 3.8Å; H40-F203 HydrophobicContact CB-CE1 3.92Å; H40-F203 CarbonylContact O-C 3.59Å; H40-F203 WeakPolarHBondContact O-CA 3.45Å; H40-H204 PolarHBondContact O-N 3.34Å; H40-T226 HydrophobicContact CB-CG2 4.48Å; H40-I368 HydrophobicContact CB-CG2 4.01Å; H40-I368 WeakPolarHBondContact CD2-CG2 3.37Å; H40-H372 VanDerWaalsContact CD2-CB 3.43Å; H40-H372 WeakPolarHBondContact CD2-CB 3.13Å; H40-H372 AromaticContact CD2-CG 3.58Å; H40-H372 AromaticContact CD2-ND1 3.75Å; H40-H372 AromaticContact CE1-CD2 3.75Å; H40-H372 AromaticContact CE1-CG 3.85Å; H40-H372 AromaticContact CE1-NE2 4Å; H40-H372 WeakPolarHBondContact NE2-CB 3.42Å; H40-H372 AromaticContact NE2-CD2 3.55Å; H40-H372 AromaticContact NE2-CG 3.29Å; H40-H372 VanDerWaalsContact NE2-CG 3.29Å; H40-H372 AromaticContact NE2-ND1 3.84Å
41R94.9Very high92.8Very high37 Ų3749.5 Ų49.514%0.1424%0.241CC..EExtended strand (participates in β ladder)trans-101112.7-175.1-67.3171.362941.7109.5H204 F206 D224 T226 A227R41-H204 CarbonylContact C-O 3.52Å; R41-H204 VanDerWaalsContact CA-O 3.31Å; R41-H204 WeakPolarHBondContact CA-O 3.32Å; R41-H204 HydrophobicContact CG-CB 4.27Å; R41-F206 HydrophobicContact CB-CE2 4.27Å; R41-F206 HydrophobicContact CG-CE2 4.49Å; R41-F206 VanDerWaalsContact NH2-CZ 3.27Å; R41-D224 VanDerWaalsContact CB-O 3.29Å; R41-D224 WeakPolarHBondContact CB-O 3.39Å; R41-D224 WeakPolarHBondContact CD-O 3.37Å; R41-D224 PolarHBondContact NE-O 3.34Å; R41-T226 PolarHBondContact N-OG1 3.12Å; R41-T226 WeakPolarHBondContact O-CB 3.38Å; R41-T226 PolarHBondContact O-N 2.59Å; R41-A227 PolarHBondContact O-N 3.35Å
42L96.4Very high93.2Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-107.1121.9-175-58.7-179.9000109.9F203 H204 M205 F206 A227 I229 F361 I368L42-F203 HydrophobicContact CD1-CD1 3.74Å; L42-F203 HydrophobicContact CD1-CE1 4.35Å; L42-F203 HydrophobicContact CG-CD1 4.25Å; L42-H204 PolarHBondContact N-O 3.46Å; L42-M205 HydrophobicContact CB-CE 4.49Å; L42-M205 HydrophobicContact CD1-CE 3.86Å; L42-M205 CarbonylContact O-C 3.54Å; L42-M205 WeakPolarHBondContact O-CA 3.18Å; L42-F206 PolarHBondContact O-N 3.41Å; L42-A227 HydrophobicContact CD2-CB 4.01Å; L42-I229 HydrophobicContact CD1-CD1 4.19Å; L42-F361 HydrophobicContact CD1-CE2 4.06Å; L42-F361 HydrophobicContact CD1-CZ 4.48Å; L42-I368 HydrophobicContact CD1-CD1 4.31Å; L42-I368 HydrophobicContact CD2-CD1 3.9Å; L42-I368 HydrophobicContact CD2-CG1 4.19Å; L42-I368 HydrophobicContact CD2-CG2 4.23Å
43L97.8Very high93.6Very high0 Ų038.4 Ų38.40%019%0.194CC..EExtended strand (participates in β ladder)trans-104.6117.6178178.957.5000110.4L45 F206 C221 F222 V225 A227 I228 I229L43-L45 HydrophobicContact CD1-CD2 4.06Å; L43-L45 HydrophobicContact CD2-CD1 4.06Å; L43-L45 HydrophobicContact CD2-CD2 4.05Å; L43-L45 HydrophobicContact CD2-CG 4.15Å; L43-L45 HydrophobicContact CG-CD1 4.33Å; L43-L45 HydrophobicContact CG-CD2 3.84Å; L43-L45 HydrophobicContact CG-CG 3.89Å; L43-F206 HydrophobicContact CD1-CB 3.81Å; L43-C221 HydrophobicContact CD1-CB 3.59Å; L43-C221 HydrophobicContact CD2-CB 4.24Å; L43-F222 HydrophobicContact CD2-CD1 3.7Å; L43-F222 HydrophobicContact CD2-CE1 3.91Å; L43-V225 HydrophobicContact CB-CG1 3.89Å; L43-V225 HydrophobicContact CB-CG2 4.11Å; L43-V225 HydrophobicContact CD2-CG2 4.09Å; L43-A227 PolarHBondContact N-O 3.16Å; L43-A227 VanDerWaalsContact N-O 3.11Å; L43-I228 CarbonylContact O-C 3.57Å; L43-I228 WeakPolarHBondContact O-CA 3.28Å; L43-I229 PolarHBondContact O-N 3.49Å
44L98.3Very high94.1Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-88.3116.1177.3-78.671.6000109.9K52 I55 V56 M205 F206 V208 I229L44-K52 HydrophobicContact CB-CB 4.21Å; L44-K52 HydrophobicContact CB-CD 4.14Å; L44-K52 HydrophobicContact CB-CG 4.23Å; L44-K52 HydrophobicContact CD2-CB 4.05Å; L44-K52 WeakPolarHBondContact CD2-O 3.43Å; L44-I55 HydrophobicContact CD2-CB 4.11Å; L44-I55 HydrophobicContact CD2-CG2 4.14Å; L44-V56 HydrophobicContact CD2-CG2 3.79Å; L44-M205 HydrophobicContact CD1-CE 4.08Å; L44-M205 HydrophobicContact CD1-CG 3.21Å; L44-M205 HydrophobicContact CD1-SD 3.6Å; L44-M205 HydrophobicContact CD2-SD 4.26Å; L44-F206 PolarHBondContact N-O 3.23Å; L44-V208 WeakPolarHBondContact O-CG2 3.47Å; L44-I229 WeakPolarHBondContact CA-O 3.33Å; L44-I229 HydrophobicContact CD1-CD1 4.49Å; L44-I229 HydrophobicContact CG-CB 4.26Å
45L98.3Very high94.6Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-120.5161.4177.3-59.7-178.3000111.2L43 V208 W218 F222 I228 I229 F230 V231 I260 L266L43-L45 HydrophobicContact CD1-CD2 4.06Å; L43-L45 HydrophobicContact CD2-CD1 4.06Å; L43-L45 HydrophobicContact CD2-CD2 4.05Å; L43-L45 HydrophobicContact CD2-CG 4.15Å; L43-L45 HydrophobicContact CG-CD1 4.33Å; L43-L45 HydrophobicContact CG-CD2 3.84Å; L43-L45 HydrophobicContact CG-CG 3.89Å; L45-V208 HydrophobicContact CD2-CG2 3.8Å; L45-W218 HydrophobicContact CB-CZ3 4.45Å; L45-W218 HydrophobicContact CD1-CE3 4.43Å; L45-W218 HydrophobicContact CD2-CB 4.44Å; L45-W218 HydrophobicContact CD2-CD2 3.7Å; L45-W218 HydrophobicContact CD2-CE3 3.78Å; L45-W218 HydrophobicContact CD2-CG 4.04Å; L45-W218 HydrophobicContact CD2-CZ2 4.45Å; L45-W218 HydrophobicContact CD2-CZ3 4.2Å; L45-F222 HydrophobicContact CD1-CE1 4.46Å; L45-I228 HydrophobicContact CB-CG2 4.26Å; L45-I228 HydrophobicContact CD1-CG2 3.96Å; L45-I228 HydrophobicContact CG-CG2 4.15Å; L45-I229 PolarHBondContact N-O 2.61Å; L45-F230 HydrophobicContact CB-CD2 4.11Å; L45-F230 CarbonylContact O-C 3.58Å; L45-F230 WeakPolarHBondContact O-CA 3.14Å; L45-V231 PolarHBondContact O-N 2.62Å; L45-I260 HydrophobicContact CB-CD1 3.77Å; L45-I260 HydrophobicContact CD1-CD1 3.71Å; L45-I260 HydrophobicContact CD1-CG1 4.02Å; L45-I260 HydrophobicContact CD1-CG2 4.08Å; L45-I260 HydrophobicContact CG-CD1 4.38Å; L45-L266 HydrophobicContact CD1-CD1 4.39Å
46G98.1Very high95.2Very high0 Ų022.9 Ų22.90%013%0.126CC..  trans140.1164.1-178.200000112.2K52 G210G46-K52 PolarHBondContact O-NZ 3.1Å; G46-G210 VanDerWaalsContact O-CA 3.31Å; G46-G210 WeakPolarHBondContact O-CA 3.43Å
47A97Very high95.8Very high8 Ų820.8 Ų20.87%0.06612%0.116CC..SBendtrans-60.3165.9-177.800000112.6S50 K52 L256A47-S50 WeakPolarHBondContact O-CB 3.07Å; A47-S50 PolarHBondContact O-N 3.3Å; A47-S50 PolarHBondContact O-OG 3.41Å; A47-S50 VanDerWaalsContact O-OG 3.13Å; A47-K52 PolarHBondContact O-NZ 3Å; A47-L256 HydrophobicContact CB-CD2 4.29Å
48G94.6Very high96.4Very high22 Ų2214.7 Ų14.723%0.2279%0.09CC..THydrogen-bonded Turntrans-52.1145.7168.200000110.4S50 G210G48-S50 PolarHBondContact O-N 3.06Å; G48-G210 VanDerWaalsContact N-C 3.28Å; G48-G210 PolarHBondContact N-O 2.89Å
49E94.8Very high96.9Very high27 Ų2712 Ų1213%0.1267%0.072CC..THydrogen-bonded Turntrans65.46.4176.6-57.1-179.3168.800115.6G51 R185 R249 K277E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.24Å; E49-R185 IonicContact OE1-NE 3.73Å; E49-R185 IonicContact OE1-NH2 2.77Å; E49-R249 IonicContact OE2-CZ 3.45Å; E49-R249 IonicContact OE2-NH1 3.22Å; E49-R249 PolarHBondContact OE2-NH1 3.09Å; E49-R249 IonicContact OE2-NH2 3.89Å; E49-R249 PolarHBondContact OE2-NH2 3.19Å; E49-R249 VanDerWaalsContact OE2-NH2 3.16Å; E49-K277 WeakPolarHBondContact O-CE 3.3Å; E49-K277 PolarHBondContact O-NZ 2.83Å
50S97.6Very high97Very high3 Ų313.6 Ų13.62%0.0218%0.075CC..SBendtrans-69.4-21.6-18067.90000114.8A47 G48 V231 N276A47-S50 WeakPolarHBondContact O-CB 3.07Å; A47-S50 PolarHBondContact O-N 3.3Å; A47-S50 PolarHBondContact O-OG 3.41Å; A47-S50 VanDerWaalsContact O-OG 3.13Å; G48-S50 PolarHBondContact O-N 3.06Å; S50-V231 WeakPolarHBondContact CB-O 3.43Å; S50-V231 WeakPolarHBondContact O-CG1 3.5Å; S50-V231 PolarHBondContact OG-O 2.91Å; S50-N276 PolarHBondContact O-ND2 2.99Å
51G97.3Very high97.2Very high11 Ų1114.2 Ų14.211%0.1138%0.078CC..SBendtrans113.311.2177.600000116E49 T54 I55E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.24Å; G51-T54 WeakPolarHBondContact O-CB 3.21Å; G51-T54 PolarHBondContact O-N 3.44Å; G51-T54 VanDerWaalsContact O-N 3.11Å; G51-I55 PolarHBondContact O-N 3.06Å; G51-I55 VanDerWaalsContact O-N 3.09Å
52K97.9Very high97.3Very high10 Ų1014.1 Ų14.14%0.0438%0.08CC..Hα-helixtrans-51.9-56.7178-61-176.4-61.8-69.40113.7L44 G46 A47 T54 I55 V56 D207 V208 V231L44-K52 HydrophobicContact CB-CB 4.21Å; L44-K52 HydrophobicContact CB-CD 4.14Å; L44-K52 HydrophobicContact CB-CG 4.23Å; L44-K52 HydrophobicContact CD2-CB 4.05Å; L44-K52 WeakPolarHBondContact CD2-O 3.43Å; G46-K52 PolarHBondContact O-NZ 3.1Å; A47-K52 PolarHBondContact O-NZ 3Å; K52-T54 PolarHBondContact O-N 3.28Å; K52-T54 VanDerWaalsContact O-N 3.16Å; K52-I55 WeakPolarHBondContact O-CB 3.46Å; K52-I55 PolarHBondContact O-N 3.16Å; K52-V56 PolarHBondContact O-N 3.49Å; K52-V56 VanDerWaalsContact O-N 3.12Å; K52-D207 VanDerWaalsContact CB-OD1 3.26Å; K52-D207 WeakPolarHBondContact CB-OD1 3.34Å; K52-V208 WeakPolarHBondContact CE-O 3.14Å; K52-V231 HydrophobicContact CG-CB 3.97Å; K52-V231 HydrophobicContact CG-CG2 3.85Å
53S97.8Very high97.3Very high25 Ų2516.7 Ų16.718%0.1759%0.092CC..Hα-helixtrans-62.3-25.9179.2-47.40000112.9V56 K57 T188 D207S53-V56 PolarHBondContact O-N 3.39Å; S53-K57 VanDerWaalsContact O-CG 3.26Å; S53-K57 WeakPolarHBondContact O-CG 3.28Å; S53-K57 PolarHBondContact O-N 3.03Å; S53-T188 PolarHBondContact OG-OG1 3.16Å; S53-D207 VanDerWaalsContact CA-OD2 3.28Å; S53-D207 WeakPolarHBondContact CA-OD2 3.34Å; S53-D207 WeakPolarHBondContact CB-OD2 3.44Å; S53-D207 PolarHBondContact OG-OD2 2.88Å
54T98Very high97.2Very high24 Ų2419.6 Ų19.615%0.14711%0.107CC..Hα-helixtrans-70.2-39.7173.6-51.70000111.1G51 K52 V56 K57 Q58 L182 A351 V352G51-T54 WeakPolarHBondContact O-CB 3.21Å; G51-T54 PolarHBondContact O-N 3.44Å; G51-T54 VanDerWaalsContact O-N 3.11Å; K52-T54 PolarHBondContact O-N 3.28Å; K52-T54 VanDerWaalsContact O-N 3.16Å; T54-V56 VanDerWaalsContact C-N 3.32Å; T54-V56 PolarHBondContact O-N 3.33Å; T54-K57 WeakPolarHBondContact O-CB 3.47Å; T54-K57 PolarHBondContact O-N 3.39Å; T54-Q58 WeakPolarHBondContact O-CG 3.41Å; T54-Q58 PolarHBondContact O-N 3.16Å; T54-L182 HydrophobicContact CG2-CB 4.33Å; T54-L182 HydrophobicContact CG2-CD2 3.82Å; T54-A351 HydrophobicContact CG2-CB 3.72Å; T54-A351 WeakPolarHBondContact CG2-O 3.41Å; T54-V352 HydrophobicContact CG2-CG1 3.99Å
55I98.1Very high97Very high2 Ų227.7 Ų27.71%0.0115%0.15CC..Hα-helixtrans-62.1-40.5173.3-65.3153.1000110.9L44 G51 K52 Q58 M59 V231 F274 A351 I357L44-I55 HydrophobicContact CD2-CB 4.11Å; L44-I55 HydrophobicContact CD2-CG2 4.14Å; G51-I55 PolarHBondContact O-N 3.06Å; G51-I55 VanDerWaalsContact O-N 3.09Å; K52-I55 WeakPolarHBondContact O-CB 3.46Å; K52-I55 PolarHBondContact O-N 3.16Å; I55-Q58 WeakPolarHBondContact O-CB 3.45Å; I55-Q58 PolarHBondContact O-N 3.36Å; I55-Q58 VanDerWaalsContact O-N 3.14Å; I55-M59 PolarHBondContact O-N 2.96Å; I55-V231 HydrophobicContact CD1-CB 4.35Å; I55-V231 HydrophobicContact CD1-CG1 3.9Å; I55-V231 HydrophobicContact CD1-CG2 3.46Å; I55-V231 VanDerWaalsContact CD1-CG2 3.46Å; I55-F274 HydrophobicContact CD1-CD2 3.63Å; I55-F274 HydrophobicContact CD1-CE2 4.18Å; I55-F274 HydrophobicContact CG1-CD2 4.35Å; I55-F274 HydrophobicContact CG2-CE2 4.42Å; I55-A351 HydrophobicContact CG1-CB 4.01Å; I55-I357 HydrophobicContact CG1-CD1 4.43Å
56V97.7Very high96.8Very high13 Ų1327.8 Ų27.88%0.07915%0.152CC..Hα-helixtrans-63.4-43.6175.2178.90000111.7L44 K52 S53 T54 Q58 M59 R60 T194 M205 D207L44-V56 HydrophobicContact CD2-CG2 3.79Å; K52-V56 PolarHBondContact O-N 3.49Å; K52-V56 VanDerWaalsContact O-N 3.12Å; S53-V56 PolarHBondContact O-N 3.39Å; T54-V56 VanDerWaalsContact C-N 3.32Å; T54-V56 PolarHBondContact O-N 3.33Å; V56-Q58 PolarHBondContact O-N 3.27Å; V56-M59 WeakPolarHBondContact O-CB 3.45Å; V56-M59 PolarHBondContact O-N 3.15Å; V56-M59 VanDerWaalsContact O-N 3.14Å; V56-R60 PolarHBondContact O-N 2.93Å; V56-R60 VanDerWaalsContact O-N 3.11Å; V56-T194 HydrophobicContact CG1-CG2 4.23Å; V56-T194 VanDerWaalsContact CG1-OG1 3.28Å; V56-T194 WeakPolarHBondContact CG1-OG1 3.33Å; V56-M205 HydrophobicContact CB-SD 4.43Å; V56-M205 HydrophobicContact CG2-CG 4.25Å; V56-M205 HydrophobicContact CG2-SD 3.7Å; V56-D207 HydrophobicContact CG2-CB 3.69Å
57K97.8Very high96.7Very high34 Ų3428.7 Ų28.715%0.14816%0.155CC..Hα-helixtrans-58.3-38.2172.6-70.3168.1-173.8178.40111.5S53 T54 R60 I61 F67 I181 L182 C184S53-K57 VanDerWaalsContact O-CG 3.26Å; S53-K57 WeakPolarHBondContact O-CG 3.28Å; S53-K57 PolarHBondContact O-N 3.03Å; T54-K57 WeakPolarHBondContact O-CB 3.47Å; T54-K57 PolarHBondContact O-N 3.39Å; K57-R60 WeakPolarHBondContact O-CB 3.31Å; K57-R60 PolarHBondContact O-N 2.93Å; K57-I61 WeakPolarHBondContact O-CG1 3.47Å; K57-I61 PolarHBondContact O-N 3.49Å; K57-F67 HydrophobicContact CB-CE2 4.47Å; K57-F67 HydrophobicContact CB-CZ 3.83Å; K57-F67 HydrophobicContact CG-CZ 3.91Å; K57-I181 HydrophobicContact CD-CG2 4.1Å; K57-I181 PolarHBondContact NZ-O 3.35Å; K57-L182 HydrophobicContact CB-CD2 3.78Å; K57-C184 PolarHBondContact NZ-O 3.4Å
58Q98Very high96.7Very high0 Ų030.8 Ų30.80%017%0.17CC..Hα-helixtrans-65.4-39.2175.2-69.7-72.821.800112.5T54 I55 V56 R60 I61 L62 L182 A351 T354 I357T54-Q58 WeakPolarHBondContact O-CG 3.41Å; T54-Q58 PolarHBondContact O-N 3.16Å; I55-Q58 WeakPolarHBondContact O-CB 3.45Å; I55-Q58 PolarHBondContact O-N 3.36Å; I55-Q58 VanDerWaalsContact O-N 3.14Å; V56-Q58 PolarHBondContact O-N 3.27Å; Q58-R60 PolarHBondContact O-N 2.85Å; Q58-I61 PolarHBondContact O-N 3.17Å; Q58-L62 WeakPolarHBondContact O-CB 3.29Å; Q58-L62 VanDerWaalsContact O-CG 3.31Å; Q58-L62 WeakPolarHBondContact O-CG 3.27Å; Q58-L62 PolarHBondContact O-N 3.08Å; Q58-L182 HydrophobicContact CG-CD2 3.8Å; Q58-A351 WeakPolarHBondContact CG-O 3.49Å; Q58-A351 PolarHBondContact NE2-O 3.18Å; Q58-T354 PolarHBondContact NE2-OG1 3.45Å; Q58-T354 PolarHBondContact OE1-OG1 2.99Å; Q58-I357 HydrophobicContact CB-CB 4.31Å; Q58-I357 HydrophobicContact CB-CG2 3.71Å; Q58-I357 HydrophobicContact CG-CB 4.28Å; Q58-I357 HydrophobicContact CG-CG1 4.15Å; Q58-I357 HydrophobicContact CG-CG2 4.18Å
59M97.1Very high96.7Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-61.4-34.3173.4-62.9-58.999.300111.7I55 V56 L62 H63 F196 M205 I357 F361I55-M59 PolarHBondContact O-N 2.96Å; V56-M59 WeakPolarHBondContact O-CB 3.45Å; V56-M59 PolarHBondContact O-N 3.15Å; V56-M59 VanDerWaalsContact O-N 3.14Å; M59-L62 HydrophobicContact CE-CD1 4.08Å; M59-H63 WeakPolarHBondContact O-CB 3.36Å; M59-H63 PolarHBondContact O-N 2.74Å; M59-F196 HydrophobicContact CB-CD1 4.22Å; M59-F196 HydrophobicContact CB-CE1 3.94Å; M59-F196 HydrophobicContact CB-CZ 4.15Å; M59-F196 HydrophobicContact CG-CE1 3.89Å; M59-F196 HydrophobicContact CG-CE2 4.45Å; M59-F196 HydrophobicContact CG-CZ 3.78Å; M59-F196 HydrophobicContact SD-CE1 4.33Å; M59-F196 HydrophobicContact SD-CE2 3.88Å; M59-F196 HydrophobicContact SD-CZ 3.6Å; M59-M205 HydrophobicContact CG-CE 3.66Å; M59-M205 HydrophobicContact CG-SD 3.85Å; M59-M205 HydrophobicContact SD-CE 4.23Å; M59-I357 HydrophobicContact CE-CG2 3.58Å; M59-F361 HydrophobicContact CE-CB 4.29Å; M59-F361 HydrophobicContact CE-CD2 4.07Å; M59-F361 HydrophobicContact CE-CG 4.08Å; M59-F361 HydrophobicContact SD-CD1 4.33Å; M59-F361 HydrophobicContact SD-CD2 3.8Å; M59-F361 HydrophobicContact SD-CE1 4.33Å; M59-F361 HydrophobicContact SD-CE2 3.79Å; M59-F361 HydrophobicContact SD-CG 4.08Å; M59-F361 HydrophobicContact SD-CZ 4.07Å
60R97Very high96.8Very high57 Ų5741.3 Ų41.322%0.21521%0.205CC..Hα-helixtrans-64.8-47.8172.4-64.4-170.153.8-176-11112.4V56 K57 Q58 L62 I64 G66 F67 E71 T194V56-R60 PolarHBondContact O-N 2.93Å; V56-R60 VanDerWaalsContact O-N 3.11Å; K57-R60 WeakPolarHBondContact O-CB 3.31Å; K57-R60 PolarHBondContact O-N 2.93Å; Q58-R60 PolarHBondContact O-N 2.85Å; R60-L62 VanDerWaalsContact C-N 3.35Å; R60-L62 PolarHBondContact O-N 2.94Å; R60-I64 HydrophobicContact CG-CD1 4.18Å; R60-I64 CarbonylContact O-C 3.44Å; R60-I64 VanDerWaalsContact O-CA 3.31Å; R60-I64 WeakPolarHBondContact O-CA 3.43Å; R60-I64 PolarHBondContact O-N 3.37Å; R60-G66 PolarHBondContact NH2-O 2.81Å; R60-G66 WeakPolarHBondContact O-CA 3.25Å; R60-G66 PolarHBondContact O-N 3.5Å; R60-F67 HydrophobicContact CB-CZ 4.27Å; R60-F67 VanDerWaalsContact CZ-CD1 3.47Å; R60-F67 VanDerWaalsContact CZ-CE1 3.41Å; R60-E71 IonicContact CZ-OE1 3.16Å; R60-E71 IonicContact NH1-OE1 3.87Å; R60-E71 PolarHBondContact NH1-OE1 3.07Å; R60-E71 VanDerWaalsContact NH2-CD 3.28Å; R60-E71 IonicContact NH2-OE1 2.78Å; R60-E71 PolarHBondContact NH2-OE1 2.89Å; R60-E71 IonicContact NH2-OE2 2.78Å; R60-E71 PolarHBondContact NH2-OE2 3.11Å; R60-E71 VanDerWaalsContact NH2-OE2 3.15Å; R60-T194 HydrophobicContact CG-CG2 4.4Å
61I97.2Very high96.7Very high26 Ų2643.6 Ų43.613%0.13322%0.216CC..Hα-helixtrans-60.4-45.5177.6-64.9168.6000110.9K57 Q58 F67 E178 L182 T354K57-I61 WeakPolarHBondContact O-CG1 3.47Å; K57-I61 PolarHBondContact O-N 3.49Å; Q58-I61 PolarHBondContact O-N 3.17Å; I61-F67 HydrophobicContact CD1-CE2 3.96Å; I61-F67 HydrophobicContact CG1-CD2 4.16Å; I61-F67 HydrophobicContact CG1-CE2 3.65Å; I61-E178 HydrophobicContact CD1-CB 4.13Å; I61-L182 HydrophobicContact CD1-CD1 3.8Å; I61-L182 HydrophobicContact CD1-CD2 3.92Å; I61-L182 HydrophobicContact CD1-CG 3.9Å; I61-T354 HydrophobicContact CG2-CG2 4.22Å
62L96.5Very high96.8Very high34 Ų3444.7 Ų44.718%0.17822%0.217CC..Hα-helixtrans-78-29.6-173.8-68.7173.1000113.7Q58 M59 R60 T354 I357 R358Q58-L62 WeakPolarHBondContact O-CB 3.29Å; Q58-L62 VanDerWaalsContact O-CG 3.31Å; Q58-L62 WeakPolarHBondContact O-CG 3.27Å; Q58-L62 PolarHBondContact O-N 3.08Å; M59-L62 HydrophobicContact CE-CD1 4.08Å; R60-L62 VanDerWaalsContact C-N 3.35Å; R60-L62 PolarHBondContact O-N 2.94Å; L62-T354 HydrophobicContact CD2-CG2 3.67Å; L62-T354 HydrophobicContact CG-CG2 4.23Å; L62-I357 HydrophobicContact CD1-CG2 4.21Å; L62-R358 HydrophobicContact CD1-CB 4.04Å; L62-R358 HydrophobicContact CD2-CB 4.07Å; L62-R358 HydrophobicContact CD2-CG 4.29Å
63H95.9Very high96.7Very high55 Ų5550 Ų5026%0.25524%0.24SC..Hα-helixtrans-137.5-1.1-165.9-53.6-52.5000115.5M59 F196M59-H63 WeakPolarHBondContact O-CB 3.36Å; M59-H63 PolarHBondContact O-N 2.74Å; H63-F196 HydrophobicContact CB-CB 4.1Å; H63-F196 HydrophobicContact CB-CD2 3.99Å; H63-F196 HydrophobicContact CB-CG 4.37Å; H63-F196 AromaticContact CD2-CD2 3.78Å; H63-F196 AromaticContact CD2-CE2 3.88Å
64I95.4Very high96.7Very high60 Ų6054.6 Ų54.631%0.30826%0.259SS..SBendtrans-139.943.6-178.1-36.9-179.8000111R60 G66 T194 K195 F196R60-I64 HydrophobicContact CG-CD1 4.18Å; R60-I64 CarbonylContact O-C 3.44Å; R60-I64 VanDerWaalsContact O-CA 3.31Å; R60-I64 WeakPolarHBondContact O-CA 3.43Å; R60-I64 PolarHBondContact O-N 3.37Å; I64-G66 PolarHBondContact O-N 3.46Å; I64-T194 HydrophobicContact CD1-CG2 3.7Å; I64-K195 WeakPolarHBondContact CD1-O 3.34Å; I64-F196 HydrophobicContact CD1-CB 3.9Å; I64-F196 HydrophobicContact CG1-CB 3.84Å
65D94.2Very high96.7Very high170 Ų17056.9 Ų56.991%0.90927%0.267SS*.  trans52.820.8175.7-54.5-45.8000115.4F67D65-F67 PolarHBondContact O-N 2.96Å
66G95.1Very high96.6Very high3 Ų358 Ų583%0.03127%0.272CS..  trans65.7-127.7179.600000114.6R60 I64R60-G66 PolarHBondContact NH2-O 2.81Å; R60-G66 WeakPolarHBondContact O-CA 3.25Å; R60-G66 PolarHBondContact O-N 3.5Å; I64-G66 PolarHBondContact O-N 3.46Å
67F96.6Very high96.6Very high18 Ų1862.7 Ų62.78%0.07930%0.297CS..  trans-127.1127-174-57.8-82.1000110.3K57 R60 I61 D65 E71 K72 I181K57-F67 HydrophobicContact CB-CE2 4.47Å; K57-F67 HydrophobicContact CB-CZ 3.83Å; K57-F67 HydrophobicContact CG-CZ 3.91Å; R60-F67 HydrophobicContact CB-CZ 4.27Å; R60-F67 VanDerWaalsContact CZ-CD1 3.47Å; R60-F67 VanDerWaalsContact CZ-CE1 3.41Å; I61-F67 HydrophobicContact CD1-CE2 3.96Å; I61-F67 HydrophobicContact CG1-CD2 4.16Å; I61-F67 HydrophobicContact CG1-CE2 3.65Å; D65-F67 PolarHBondContact O-N 2.96Å; F67-E71 HydrophobicContact CB-CB 4.5Å; F67-K72 HydrophobicContact CB-CG 4.23Å; F67-K72 WeakPolarHBondContact O-CE 3.49Å; F67-I181 HydrophobicContact CB-CD1 3.72Å; F67-I181 HydrophobicContact CD1-CD1 4.22Å; F67-I181 HydrophobicContact CD1-CG2 4.33Å; F67-I181 HydrophobicContact CD2-CB 4.46Å; F67-I181 HydrophobicContact CD2-CD1 3.72Å; F67-I181 HydrophobicContact CD2-CG2 4.04Å; F67-I181 HydrophobicContact CE1-CG2 3.97Å; F67-I181 HydrophobicContact CE2-CB 4.37Å; F67-I181 HydrophobicContact CE2-CD1 4.41Å; F67-I181 HydrophobicContact CE2-CG2 3.64Å; F67-I181 HydrophobicContact CG-CD1 3.62Å; F67-I181 HydrophobicContact CG-CG2 4.38Å; F67-I181 HydrophobicContact CZ-CG2 3.62Å
68S96.1Very high96.6Very high53 Ų5362.2 Ų62.237%0.37130%0.3SS..  trans-65.5158.6173.563.20000111.8R70 E71 K72S68-R70 PolarHBondContact O-N 2.97Å; S68-E71 PolarHBondContact N-OE2 3.39Å; S68-E71 PolarHBondContact O-N 3.45Å; S68-E71 VanDerWaalsContact O-N 3.07Å; S68-E71 VanDerWaalsContact OG-CG 3.31Å; S68-E71 WeakPolarHBondContact OG-CG 3.41Å; S68-E71 PolarHBondContact OG-N 2.98Å; S68-E71 PolarHBondContact OG-OE2 3.18Å; S68-K72 PolarHBondContact O-N 2.82Å
69E95.3Very high96.6Very high89 Ų8962.2 Ų62.242%0.41630%0.3SS..Hα-helixtrans-57.9-32175.6-68.9-58.1122.100112.9K72 K73 I175E69-K72 VanDerWaalsContact OE1-CD 3.28Å; E69-K72 WeakPolarHBondContact OE1-CD 3.43Å; E69-K72 IonicContact OE1-NZ 2.66Å; E69-K72 PolarHBondContact OE1-NZ 2.82Å; E69-K73 VanDerWaalsContact O-CG 3.32Å; E69-K73 WeakPolarHBondContact O-CG 3.28Å; E69-K73 PolarHBondContact O-N 2.85Å; E69-I175 VanDerWaalsContact OE2-CG2 3.29Å; E69-I175 WeakPolarHBondContact OE2-CG2 3.42Å
70R96.7Very high96.7Very high181 Ų18164.6 Ų64.668%0.68331%0.309SS*.Hα-helixtrans-64.7-49.4173.6-173.6-178.567.7-174.3-2.3111.2S68 K72 K73 E74S68-R70 PolarHBondContact O-N 2.97Å; R70-K72 VanDerWaalsContact C-N 3.32Å; R70-K72 PolarHBondContact O-N 2.84Å; R70-K73 PolarHBondContact O-N 2.72Å; R70-E74 IonicContact NE-OE1 2.59Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.98Å
71E96.1Very high96.7Very high50 Ų5066.7 Ų66.723%0.23432%0.319CS..Hα-helixtrans-64.8-36.1178.6-70.6172.8104.300112.4R60 F67 S68 E74 K75R60-E71 IonicContact CZ-OE1 3.16Å; R60-E71 IonicContact NH1-OE1 3.87Å; R60-E71 PolarHBondContact NH1-OE1 3.07Å; R60-E71 VanDerWaalsContact NH2-CD 3.28Å; R60-E71 IonicContact NH2-OE1 2.78Å; R60-E71 PolarHBondContact NH2-OE1 2.89Å; R60-E71 IonicContact NH2-OE2 2.78Å; R60-E71 PolarHBondContact NH2-OE2 3.11Å; R60-E71 VanDerWaalsContact NH2-OE2 3.15Å; F67-E71 HydrophobicContact CB-CB 4.5Å; S68-E71 PolarHBondContact N-OE2 3.39Å; S68-E71 PolarHBondContact O-N 3.45Å; S68-E71 VanDerWaalsContact O-N 3.07Å; S68-E71 VanDerWaalsContact OG-CG 3.31Å; S68-E71 WeakPolarHBondContact OG-CG 3.41Å; S68-E71 PolarHBondContact OG-N 2.98Å; S68-E71 PolarHBondContact OG-OE2 3.18Å; E71-E74 PolarHBondContact O-N 2.83Å; E71-K75 PolarHBondContact O-N 3.38Å
72K97.7Very high96.8Very high35 Ų3566 Ų6615%0.15232%0.316CS..Hα-helixtrans-58.9-48.6171.7-73.5169.1179.9178.90110.7F67 S68 E69 R70 E74 K75 I175 P176 I181F67-K72 HydrophobicContact CB-CG 4.23Å; F67-K72 WeakPolarHBondContact O-CE 3.49Å; S68-K72 PolarHBondContact O-N 2.82Å; E69-K72 VanDerWaalsContact OE1-CD 3.28Å; E69-K72 WeakPolarHBondContact OE1-CD 3.43Å; E69-K72 IonicContact OE1-NZ 2.66Å; E69-K72 PolarHBondContact OE1-NZ 2.82Å; R70-K72 VanDerWaalsContact C-N 3.32Å; R70-K72 PolarHBondContact O-N 2.84Å; K72-E74 VanDerWaalsContact C-N 3.32Å; K72-E74 PolarHBondContact O-N 3.33Å; K72-K75 WeakPolarHBondContact O-CB 3.29Å; K72-K75 PolarHBondContact O-N 2.92Å; K72-I175 HydrophobicContact CB-CG2 4.26Å; K72-I175 HydrophobicContact CD-CG2 4.21Å; K72-P176 HydrophobicContact CB-CB 4.49Å; K72-P176 WeakPolarHBondContact CD-O 3.35Å; K72-P176 WeakPolarHBondContact CG-O 3.38Å; K72-P176 WeakPolarHBondContact O-CD 3.41Å; K72-P176 VanDerWaalsContact O-CG 3.28Å; K72-P176 WeakPolarHBondContact O-CG 3.42Å; K72-I181 HydrophobicContact CB-CD1 4.37Å; K72-I181 HydrophobicContact CG-CD1 3.58Å
73K97.1Very high96.9Very high121 Ų12164.3 Ų64.353%0.52631%0.307SS..Hα-helixtrans-61.1-38.5178-73.7176.9-178.1-175.80112.9E69 R70 K75 I76E69-K73 VanDerWaalsContact O-CG 3.32Å; E69-K73 WeakPolarHBondContact O-CG 3.28Å; E69-K73 PolarHBondContact O-N 2.85Å; R70-K73 PolarHBondContact O-N 2.72Å; K73-K75 PolarHBondContact O-N 3.49Å; K73-K75 VanDerWaalsContact O-N 3.1Å; K73-I76 HydrophobicContact CB-CD1 4.26Å; K73-I76 HydrophobicContact CG-CD1 4.24Å; K73-I76 WeakPolarHBondContact O-CB 3.36Å; K73-I76 WeakPolarHBondContact O-CG1 3.29Å; K73-I76 PolarHBondContact O-N 2.99Å; K73-I76 VanDerWaalsContact O-N 3.1Å
74E96.7Very high97Very high122 Ų12262.8 Ų62.857%0.5730%0.299SS*.Hα-helixtrans-61.7-16.5174.9-70.4167.3-168.700113.5R70 E71 K72R70-E74 IonicContact NE-OE1 2.59Å; R70-E74 WeakPolarHBondContact O-CG 3.34Å; R70-E74 PolarHBondContact O-N 2.98Å; E71-E74 PolarHBondContact O-N 2.83Å; K72-E74 VanDerWaalsContact C-N 3.32Å; K72-E74 PolarHBondContact O-N 3.33Å
75K97.5Very high97.1Very high72 Ų7262.4 Ų62.431%0.31330%0.298SS..THydrogen-bonded Turntrans-90.8-9.1176.2-63.8-57.6178.1-163.50114.7E71 K72 K73 D77 A78 I79 I181E71-K75 PolarHBondContact O-N 3.38Å; K72-K75 WeakPolarHBondContact O-CB 3.29Å; K72-K75 PolarHBondContact O-N 2.92Å; K73-K75 PolarHBondContact O-N 3.49Å; K73-K75 VanDerWaalsContact O-N 3.1Å; K75-D77 VanDerWaalsContact C-N 3.35Å; K75-D77 PolarHBondContact O-N 3.2Å; K75-A78 PolarHBondContact O-N 2.79Å; K75-I79 HydrophobicContact CB-CD1 4.14Å; K75-I79 WeakPolarHBondContact O-CG1 3.35Å; K75-I79 PolarHBondContact O-N 3.28Å; K75-I181 HydrophobicContact CG-CG1 4.36Å
76I97.9Very high97.3Very high24 Ų2454.3 Ų54.312%0.12325%0.254CS..Hα-helixtrans-56.4-48.3-176.8-69170.7000111.2K73 A78 I79 R80 Y174 P176K73-I76 HydrophobicContact CB-CD1 4.26Å; K73-I76 HydrophobicContact CG-CD1 4.24Å; K73-I76 WeakPolarHBondContact O-CB 3.36Å; K73-I76 WeakPolarHBondContact O-CG1 3.29Å; K73-I76 PolarHBondContact O-N 2.99Å; K73-I76 VanDerWaalsContact O-N 3.1Å; I76-A78 VanDerWaalsContact C-N 3.35Å; I76-A78 PolarHBondContact O-N 3.08Å; I76-I79 PolarHBondContact O-N 2.89Å; I76-R80 HydrophobicContact CG2-CG 4.36Å; I76-R80 WeakPolarHBondContact O-CG 3.43Å; I76-R80 PolarHBondContact O-N 3.08Å; I76-Y174 WeakPolarHBondContact CD1-O 3.48Å; I76-Y174 HydrophobicContact CG1-CD1 4.34Å; I76-P176 HydrophobicContact CG1-CG 3.75Å
77D96.6Very high97.5Very high112 Ų11254.1 Ų54.160%0.59925%0.253SS*.Hα-helixtrans-64.2-40.3-177.8-63.6-21.2000112.1K75 I79 R80 K81K75-D77 VanDerWaalsContact C-N 3.35Å; K75-D77 PolarHBondContact O-N 3.2Å; D77-I79 VanDerWaalsContact C-N 3.35Å; D77-I79 PolarHBondContact O-N 2.92Å; D77-R80 PolarHBondContact O-N 3.33Å; D77-K81 VanDerWaalsContact O-CB 3.23Å; D77-K81 WeakPolarHBondContact O-CB 3.43Å; D77-K81 PolarHBondContact O-N 3.13Å
78A97.6Very high97.6Very high24 Ų2454.3 Ų54.320%0.19826%0.256CS..Hα-helixtrans-65.1-38.8176.300000112K75 I76 K81 N82 V186K75-A78 PolarHBondContact O-N 2.79Å; I76-A78 VanDerWaalsContact C-N 3.35Å; I76-A78 PolarHBondContact O-N 3.08Å; A78-K81 PolarHBondContact O-N 3.36Å; A78-N82 PolarHBondContact O-N 3.11Å; A78-N82 PolarHBondContact O-ND2 3.15Å; A78-N82 PolarHBondContact O-OD1 2.93Å; A78-V186 HydrophobicContact CB-CG2 4.12Å
79I98.5Very high97.7Very high0 Ų053.7 Ų53.70%025%0.252CS..Hα-helixtrans-67-48.2176.9-71.2162000110.8K75 I76 D77 K81 N82 L83 F162 V169 Y174 P176 D180 C184K75-I79 HydrophobicContact CB-CD1 4.14Å; K75-I79 WeakPolarHBondContact O-CG1 3.35Å; K75-I79 PolarHBondContact O-N 3.28Å; I76-I79 PolarHBondContact O-N 2.89Å; D77-I79 VanDerWaalsContact C-N 3.35Å; D77-I79 PolarHBondContact O-N 2.92Å; I79-K81 VanDerWaalsContact C-N 3.27Å; I79-K81 PolarHBondContact O-N 3.17Å; I79-N82 WeakPolarHBondContact O-CB 3.23Å; I79-N82 PolarHBondContact O-N 3.32Å; I79-N82 VanDerWaalsContact O-N 3.08Å; I79-L83 PolarHBondContact O-N 3.34Å; I79-F162 HydrophobicContact CB-CE1 4.42Å; I79-F162 HydrophobicContact CG1-CE1 4.21Å; I79-F162 HydrophobicContact CG1-CZ 4.04Å; I79-F162 HydrophobicContact CG2-CD1 3.74Å; I79-F162 HydrophobicContact CG2-CE1 3.49Å; I79-F162 VanDerWaalsContact CG2-CE1 3.49Å; I79-F162 HydrophobicContact CG2-CG 4.44Å; I79-F162 HydrophobicContact CG2-CZ 3.99Å; I79-V169 HydrophobicContact CG2-CG1 3.84Å; I79-V169 HydrophobicContact CG2-CG2 4.21Å; I79-Y174 HydrophobicContact CD1-CE1 4.42Å; I79-Y174 HydrophobicContact CG2-CE1 4.22Å; I79-P176 HydrophobicContact CD1-CB 3.59Å; I79-P176 HydrophobicContact CD1-CG 3.46Å; I79-P176 VanDerWaalsContact CD1-CG 3.46Å; I79-D180 HydrophobicContact CD1-CB 3.97Å; I79-C184 HydrophobicContact CG1-CB 3.86Å
80R98.2Very high97.8Very high50 Ų5049.4 Ų49.419%0.18923%0.232CC..Hα-helixtrans-59.9-40.5176.3-72.3177.8171.8169.9-1.8111.3I76 D77 L83 R84 Y126 F131 V169I76-R80 HydrophobicContact CG2-CG 4.36Å; I76-R80 WeakPolarHBondContact O-CG 3.43Å; I76-R80 PolarHBondContact O-N 3.08Å; D77-R80 PolarHBondContact O-N 3.33Å; R80-L83 PolarHBondContact O-N 3.35Å; R80-R84 WeakPolarHBondContact O-CB 3.45Å; R80-R84 PolarHBondContact O-N 3.13Å; R80-Y126 HydrophobicContact CB-CD1 3.81Å; R80-Y126 HydrophobicContact CB-CE1 3.81Å; R80-Y126 HydrophobicContact CB-CG 4.27Å; R80-Y126 WeakPolarHBondContact O-CE1 3.36Å; R80-F131 HydrophobicContact CG-CE1 4.08Å; R80-F131 HydrophobicContact CG-CZ 3.87Å; R80-V169 HydrophobicContact CG-CG1 3.89Å; R80-V169 PolarHBondContact NE-O 3.07Å
81K97.9Very high97.9Very high101 Ų10140.8 Ų40.844%0.43920%0.199SC..Hα-helixtrans-61.8-44.1171.6-175.8176.6178.7179.30112.7D77 A78 I79 L83 R84 D85 Y126D77-K81 VanDerWaalsContact O-CB 3.23Å; D77-K81 WeakPolarHBondContact O-CB 3.43Å; D77-K81 PolarHBondContact O-N 3.13Å; A78-K81 PolarHBondContact O-N 3.36Å; I79-K81 VanDerWaalsContact C-N 3.27Å; I79-K81 PolarHBondContact O-N 3.17Å; K81-L83 VanDerWaalsContact C-N 3.34Å; K81-L83 PolarHBondContact O-N 3.05Å; K81-R84 PolarHBondContact O-N 2.93Å; K81-D85 WeakPolarHBondContact CE-OD2 3.44Å; K81-D85 WeakPolarHBondContact CG-OD2 3.5Å; K81-D85 WeakPolarHBondContact O-CB 3.28Å; K81-D85 PolarHBondContact O-N 3.02Å; K81-Y126 VanDerWaalsContact CA-OH 3.32Å; K81-Y126 WeakPolarHBondContact CA-OH 3.49Å; K81-Y126 WeakPolarHBondContact CB-OH 3.4Å
82N98.5Very high98Very high11 Ų1140.2 Ų40.26%0.05921%0.206CC..Hα-helixtrans-59.1-45.1175.9-67.9166.3000111.8A78 I79 A86 I156 F162 C184 R185A78-N82 PolarHBondContact O-N 3.11Å; A78-N82 PolarHBondContact O-ND2 3.15Å; A78-N82 PolarHBondContact O-OD1 2.93Å; I79-N82 WeakPolarHBondContact O-CB 3.23Å; I79-N82 PolarHBondContact O-N 3.32Å; I79-N82 VanDerWaalsContact O-N 3.08Å; N82-A86 WeakPolarHBondContact O-CB 3.23Å; N82-A86 PolarHBondContact O-N 3.19Å; N82-I156 HydrophobicContact CB-CD1 3.88Å; N82-I156 WeakPolarHBondContact O-CD1 3.37Å; N82-F162 HydrophobicContact CB-CD2 4.15Å; N82-F162 HydrophobicContact CB-CE2 4.25Å; N82-C184 PolarHBondContact OD1-SG 3.36Å; N82-C184 VanDerWaalsContact OD1-SG 3.4Å; N82-R185 PolarHBondContact ND2-O 3.2Å; N82-R185 PolarHBondContact OD1-N 3.37Å; N82-R185 PolarHBondContact OD1-O 3.3Å
83L98.6Very high98Very high0 Ų038.8 Ų38.80%020%0.201CC..Hα-helixtrans-59.8-48.1176.2-176.6158.7000111.6I79 R80 K81 A86 I87 F130 F131 C134 F162 L163 A166 V169I79-L83 PolarHBondContact O-N 3.34Å; R80-L83 PolarHBondContact O-N 3.35Å; K81-L83 VanDerWaalsContact C-N 3.34Å; K81-L83 PolarHBondContact O-N 3.05Å; L83-A86 WeakPolarHBondContact O-CB 3.44Å; L83-A86 PolarHBondContact O-N 2.81Å; L83-I87 PolarHBondContact O-N 2.87Å; L83-F130 HydrophobicContact CD2-CE1 3.67Å; L83-F130 HydrophobicContact CD2-CZ 3.62Å; L83-F131 HydrophobicContact CD1-CD1 4.28Å; L83-F131 HydrophobicContact CD1-CE1 4.49Å; L83-C134 HydrophobicContact CD2-CB 4.07Å; L83-F162 HydrophobicContact CB-CB 4.21Å; L83-F162 HydrophobicContact CD1-CB 4.46Å; L83-L163 HydrophobicContact CD2-CD2 4.43Å; L83-L163 HydrophobicContact CG-CD2 4.19Å; L83-A166 HydrophobicContact CD1-CB 3.84Å; L83-V169 HydrophobicContact CD1-CB 4.12Å; L83-V169 HydrophobicContact CD1-CG1 4.09Å; L83-V169 HydrophobicContact CD1-CG2 4.47Å
84R98.4Very high98.1Very high22 Ų2233.2 Ų33.28%0.08318%0.177CC..Hα-helixtrans-60.7-51.2177.5-178.2-158.776162.43.9112.6R80 K81 A86 I87 C88 A119 K121 F124 Y126 F130R80-R84 WeakPolarHBondContact O-CB 3.45Å; R80-R84 PolarHBondContact O-N 3.13Å; K81-R84 PolarHBondContact O-N 2.93Å; R84-A86 PolarHBondContact O-N 2.82Å; R84-I87 VanDerWaalsContact O-CG2 3.29Å; R84-I87 WeakPolarHBondContact O-CG2 3.42Å; R84-I87 PolarHBondContact O-N 2.86Å; R84-C88 WeakPolarHBondContact O-CB 3.48Å; R84-C88 PolarHBondContact O-N 2.93Å; R84-C88 PolarHBondContact O-SG 3.18Å; R84-A119 WeakPolarHBondContact CD-O 3.43Å; R84-A119 WeakPolarHBondContact CG-O 3.31Å; R84-K121 PolarHBondContact NH1-O 2.83Å; R84-K121 VanDerWaalsContact NH1-O 3.14Å; R84-F124 HydrophobicContact CG-CD1 4.29Å; R84-Y126 HydrophobicContact CB-CE1 3.82Å; R84-Y126 HydrophobicContact CG-CE1 4.28Å; R84-F130 HydrophobicContact CB-CE1 4.39Å; R84-F130 HydrophobicContact CB-CE2 4.4Å; R84-F130 HydrophobicContact CB-CZ 3.67Å; R84-F130 HydrophobicContact CG-CE2 4.24Å; R84-F130 HydrophobicContact CG-CZ 3.97Å
85D98Very high98.1Very high52 Ų5229.8 Ų29.828%0.27818%0.175SC..Hα-helixtrans-63.1-35.6-179.6-66.2-5.7000110.3K81 S89K81-D85 WeakPolarHBondContact CE-OD2 3.44Å; K81-D85 WeakPolarHBondContact CG-OD2 3.5Å; K81-D85 WeakPolarHBondContact O-CB 3.28Å; K81-D85 PolarHBondContact O-N 3.02Å; D85-S89 VanDerWaalsContact O-CB 3.29Å; D85-S89 WeakPolarHBondContact O-CB 3.28Å; D85-S89 PolarHBondContact O-N 3.28Å; D85-S89 PolarHBondContact O-OG 2.86Å
86A98.6Very high98Very high0 Ų030.4 Ų30.40%019%0.188CC..Hα-helixtrans-63.1-54.8175.200000112.2N82 L83 R84 C88 S89 I90 L155 I156 A159 L163N82-A86 WeakPolarHBondContact O-CB 3.23Å; N82-A86 PolarHBondContact O-N 3.19Å; L83-A86 WeakPolarHBondContact O-CB 3.44Å; L83-A86 PolarHBondContact O-N 2.81Å; R84-A86 PolarHBondContact O-N 2.82Å; A86-C88 VanDerWaalsContact C-N 3.33Å; A86-C88 PolarHBondContact O-N 2.81Å; A86-S89 PolarHBondContact O-N 2.88Å; A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.36Å; A86-I90 PolarHBondContact O-N 2.86Å; A86-L155 HydrophobicContact CB-CD1 4.34Å; A86-I156 HydrophobicContact CB-CD1 4.34Å; A86-I156 HydrophobicContact CB-CG1 4.32Å; A86-A159 HydrophobicContact CB-CB 3.62Å; A86-L163 HydrophobicContact CB-CD1 4.26Å
87I98.7Very high98Very high0 Ų029.5 Ų29.50%018%0.184CC..Hα-helixtrans-65.5-37.1-178.4-166.360.8000112L83 R84 S89 I90 A91 I115 F130 L137 I143 L163L83-I87 PolarHBondContact O-N 2.87Å; R84-I87 VanDerWaalsContact O-CG2 3.29Å; R84-I87 WeakPolarHBondContact O-CG2 3.42Å; R84-I87 PolarHBondContact O-N 2.86Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 2.83Å; I87-I90 PolarHBondContact O-N 3.09Å; I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.19Å; I87-A91 PolarHBondContact O-N 3.3Å; I87-I115 HydrophobicContact CG1-CD1 4.5Å; I87-I115 HydrophobicContact CG1-CG2 4.29Å; I87-I115 HydrophobicContact CG2-CD1 4.1Å; I87-I115 HydrophobicContact CG2-CG2 4.03Å; I87-F130 HydrophobicContact CG2-CE2 4.32Å; I87-F130 HydrophobicContact CG2-CZ 4.47Å; I87-L137 HydrophobicContact CD1-CD2 4.09Å; I87-L137 HydrophobicContact CD1-CG 4.35Å; I87-L137 HydrophobicContact CG1-CD2 4.12Å; I87-I143 HydrophobicContact CD1-CG2 4.41Å; I87-L163 HydrophobicContact CB-CD2 3.92Å; I87-L163 HydrophobicContact CD1-CD2 4.24Å; I87-L163 HydrophobicContact CG1-CD2 4.47Å
88C98.5Very high98Very high21 Ų2132.9 Ų32.914%0.14219%0.193CC..Hα-helixtrans-62.9-42.2175.5-67.50000111.1R84 A86 G92 I115R84-C88 WeakPolarHBondContact O-CB 3.48Å; R84-C88 PolarHBondContact O-N 2.93Å; R84-C88 PolarHBondContact O-SG 3.18Å; A86-C88 VanDerWaalsContact C-N 3.33Å; A86-C88 PolarHBondContact O-N 2.81Å; C88-G92 PolarHBondContact O-N 2.94Å; C88-I115 HydrophobicContact CB-CG2 4.44Å
89S98.3Very high98Very high40 Ų4036.3 Ų36.328%0.2821%0.213SC..Hα-helixtrans-63-45.4178.1-59.60000111.5D85 A86 I87 A93D85-S89 VanDerWaalsContact O-CB 3.29Å; D85-S89 WeakPolarHBondContact O-CB 3.28Å; D85-S89 PolarHBondContact O-N 3.28Å; D85-S89 PolarHBondContact O-OG 2.86Å; A86-S89 PolarHBondContact O-N 2.88Å; I87-S89 VanDerWaalsContact C-N 3.34Å; I87-S89 PolarHBondContact O-N 2.83Å; S89-A93 VanDerWaalsContact O-CB 3.29Å; S89-A93 WeakPolarHBondContact O-CB 3.45Å; S89-A93 PolarHBondContact O-N 2.86Å
90I98.7Very high97.9Very high0 Ų040.4 Ų40.40%024%0.24CC..Hα-helixtrans-66.5-52.1179.8-60.3166000110.4A86 I87 G92 A93 M94 W138 I143 T146 F147 Y153 L155 L163A86-I90 VanDerWaalsContact O-CG1 3.31Å; A86-I90 WeakPolarHBondContact O-CG1 3.36Å; A86-I90 PolarHBondContact O-N 2.86Å; I87-I90 PolarHBondContact O-N 3.09Å; I90-G92 VanDerWaalsContact C-N 3.25Å; I90-G92 PolarHBondContact O-N 3.38Å; I90-A93 PolarHBondContact O-N 3.4Å; I90-M94 WeakPolarHBondContact O-CG 3.42Å; I90-M94 PolarHBondContact O-N 2.86Å; I90-W138 HydrophobicContact CD1-CE3 4.47Å; I90-W138 HydrophobicContact CD1-CZ3 3.81Å; I90-I143 HydrophobicContact CG2-CD1 4.4Å; I90-I143 HydrophobicContact CG2-CG2 3.92Å; I90-T146 HydrophobicContact CG2-CG2 3.87Å; I90-T146 VanDerWaalsContact O-CG2 3.25Å; I90-T146 WeakPolarHBondContact O-CG2 3.38Å; I90-F147 HydrophobicContact CD1-CB 4.44Å; I90-F147 HydrophobicContact CD1-CD2 4.11Å; I90-Y153 HydrophobicContact CG1-CE2 4.41Å; I90-L155 HydrophobicContact CD1-CD1 4.12Å; I90-L155 HydrophobicContact CD1-CD2 4.08Å; I90-L155 HydrophobicContact CG1-CD1 3.75Å; I90-L155 HydrophobicContact CG1-CD2 3.98Å; I90-L163 HydrophobicContact CD1-CD1 3.68Å
91A98.4Very high97.9Very high0 Ų038.5 Ų38.50%023%0.234CC..Hα-helixtrans-60.9-33.9-179.900000113.1I87 M94 R112 I115 L116 I143I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.19Å; I87-A91 PolarHBondContact O-N 3.3Å; A91-M94 WeakPolarHBondContact O-CG 3.41Å; A91-R112 HydrophobicContact CB-CG 4.27Å; A91-R112 PolarHBondContact O-NE 3.26Å; A91-R112 PolarHBondContact O-NH2 3Å; A91-R112 VanDerWaalsContact O-NH2 3.13Å; A91-I115 HydrophobicContact CB-CG2 4.18Å; A91-L116 HydrophobicContact CB-CD2 4.01Å; A91-L116 HydrophobicContact CB-CG 4.32Å; A91-I143 HydrophobicContact CB-CD1 4.33Å
92G98Very high97.9Very high37 Ų3742.2 Ų42.238%0.38125%0.25SC..Hα-helixtrans-73.7-38177.800000112.5C88 I90 M94C88-G92 PolarHBondContact O-N 2.94Å; I90-G92 VanDerWaalsContact C-N 3.25Å; I90-G92 PolarHBondContact O-N 3.38Å; G92-M94 VanDerWaalsContact C-N 3.3Å; G92-M94 PolarHBondContact O-N 2.93Å
93A98.3Very high97.9Very high5 Ų543.4 Ų43.44%0.04126%0.256CS..Hα-helixtrans-67.8-26.5-178.300000113.7S89 I90 G95 S96 L97 T146 Y153S89-A93 VanDerWaalsContact O-CB 3.29Å; S89-A93 WeakPolarHBondContact O-CB 3.45Å; S89-A93 PolarHBondContact O-N 2.86Å; I90-A93 PolarHBondContact O-N 3.4Å; A93-G95 PolarHBondContact O-N 3.12Å; A93-S96 WeakPolarHBondContact CA-OG 3.29Å; A93-S96 PolarHBondContact O-N 2.87Å; A93-S96 PolarHBondContact O-OG 3.42Å; A93-L97 WeakPolarHBondContact O-CG 3.29Å; A93-L97 PolarHBondContact O-N 3.33Å; A93-L97 VanDerWaalsContact O-N 3.13Å; A93-T146 HydrophobicContact CB-CG2 4.04Å; A93-Y153 HydrophobicContact CB-CD1 3.54Å; A93-Y153 HydrophobicContact CB-CD2 3.73Å; A93-Y153 HydrophobicContact CB-CE1 3.67Å; A93-Y153 HydrophobicContact CB-CE2 3.87Å; A93-Y153 HydrophobicContact CB-CG 3.58Å
94M98.3Very high97.8Very high4 Ų449.9 Ų49.92%0.0229%0.286CS..THydrogen-bonded Turntrans-46.9-42.2-175.9-58.2-173.574.300113.6I90 A91 G92 P100 V101 L103 I143 T146I90-M94 WeakPolarHBondContact O-CG 3.42Å; I90-M94 PolarHBondContact O-N 2.86Å; A91-M94 WeakPolarHBondContact O-CG 3.41Å; G92-M94 VanDerWaalsContact C-N 3.3Å; G92-M94 PolarHBondContact O-N 2.93Å; M94-P100 WeakPolarHBondContact O-CA 3.26Å; M94-V101 HydrophobicContact CE-CB 4.45Å; M94-V101 HydrophobicContact CE-CG1 4.15Å; M94-V101 PolarHBondContact O-N 3.19Å; M94-L103 HydrophobicContact CE-CD2 3.87Å; M94-L103 HydrophobicContact CE-CG 4.09Å; M94-L103 HydrophobicContact SD-CD2 4.08Å; M94-L103 HydrophobicContact SD-CG 4.48Å; M94-I143 HydrophobicContact CE-CD1 4.42Å; M94-I143 HydrophobicContact SD-CD1 3.59Å; M94-I143 VanDerWaalsContact SD-CD1 3.59Å; M94-I143 HydrophobicContact SD-CG1 4.38Å; M94-T146 HydrophobicContact CG-CG2 3.96Å; M94-T146 WeakPolarHBondContact CG-OG1 3.35Å
95G96.9Very high97.8Very high51 Ų5152.5 Ų52.553%0.52630%0.301SS..THydrogen-bonded Turntrans-82.4-24.2-17800000115A93A93-G95 PolarHBondContact O-N 3.12Å
96S95.8Very high97.6Very high84 Ų8454.8 Ų54.859%0.58732%0.322SS*.THydrogen-bonded Turntrans-87-19.7-179.353.90000113.7A93A93-S96 WeakPolarHBondContact CA-OG 3.29Å; A93-S96 PolarHBondContact O-N 2.87Å; A93-S96 PolarHBondContact O-OG 3.42Å
97L97.3Very high97.5Very high6 Ų660.2 Ų60.23%0.03135%0.347CS..SBendtrans-62.3153175.3-73.1178.5000111.5A93 P99 P100 V101 T146 R149 E152 Y153A93-L97 WeakPolarHBondContact O-CG 3.29Å; A93-L97 PolarHBondContact O-N 3.33Å; A93-L97 VanDerWaalsContact O-N 3.13Å; L97-P99 CarbonylContact C-O 3.36Å; L97-P99 CarbonylContact O-C 3.41Å; L97-P100 VanDerWaalsContact O-CA 3.28Å; L97-P100 WeakPolarHBondContact O-CA 3.29Å; L97-P100 WeakPolarHBondContact O-CD 3.35Å; L97-P100 WeakPolarHBondContact O-CG 3.48Å; L97-V101 HydrophobicContact CD1-CG2 3.85Å; L97-T146 HydrophobicContact CD1-CG2 3.78Å; L97-R149 HydrophobicContact CD1-CB 4.09Å; L97-R149 HydrophobicContact CD2-CB 4.31Å; L97-E152 HydrophobicContact CD2-CB 3.62Å; L97-E152 HydrophobicContact CD2-CG 4.29Å; L97-E152 WeakPolarHBondContact CD2-OE2 3Å; L97-Y153 HydrophobicContact CD2-CD1 4.2Å
98K96.2Very high97.4Very high182 Ų18260.2 Ų60.279%0.79135%0.347SS*.SBendtrans-124.3112178.4-66-176.6-177.6178.20110R149K98-R149 PolarHBondContact O-NH2 3.34Å
99P97.1Very high97.4Very high97 Ų9767.1 Ų67.163%0.6337%0.37SS*.SBendcis-65.5156.4-7.931.1-35.6000111.9L97 R149L97-P99 CarbonylContact C-O 3.36Å; L97-P99 CarbonylContact O-C 3.41Å; P99-R149 PolarHBondContact O-NH1 3.44Å
100P97.6Very high97.4Very high86 Ų8673.5 Ų73.556%0.55839%0.393SS*.PPolyproline II helixtrans-63.9146.3173.9-22.433.3000111.7M94 L97M94-P100 WeakPolarHBondContact O-CA 3.26Å; L97-P100 VanDerWaalsContact O-CA 3.28Å; L97-P100 WeakPolarHBondContact O-CA 3.29Å; L97-P100 WeakPolarHBondContact O-CD 3.35Å; L97-P100 WeakPolarHBondContact O-CG 3.48Å
101V98.1Very high97.3Very high10 Ų1074.5 Ų74.56%0.06140%0.398CS..PPolyproline II helixtrans-96.9138.2178.1-174.60000109.2M94 L97 G142 E145 T146M94-V101 HydrophobicContact CE-CB 4.45Å; M94-V101 HydrophobicContact CE-CG1 4.15Å; M94-V101 PolarHBondContact O-N 3.19Å; L97-V101 HydrophobicContact CD1-CG2 3.85Å; V101-G142 VanDerWaalsContact CG1-O 3.24Å; V101-G142 WeakPolarHBondContact CG1-O 3.49Å; V101-E145 HydrophobicContact CG1-CB 4.07Å; V101-E145 HydrophobicContact CG1-CG 4.19Å; V101-E145 HydrophobicContact CG2-CG 4.22Å; V101-T146 WeakPolarHBondContact CB-OG1 3.31Å
102K97.4Very high97.3Very high178 Ų17877.3 Ų77.377%0.77441%0.409SS*.  trans-105.5151175.5-64.6-179.1-176.6175.10109.2E104 G142K102-E104 PolarHBondContact O-N 3.09Å; K102-G142 WeakPolarHBondContact O-CA 3.45Å
103L98.2Very high97.3Very high36 Ų3678.1 Ų78.119%0.18840%0.404CS..  trans-59.3138.3168.3-68.4168.7000109.4M94 N108 R109 R112 L137 D140 I143M94-L103 HydrophobicContact CE-CD2 3.87Å; M94-L103 HydrophobicContact CE-CG 4.09Å; M94-L103 HydrophobicContact SD-CD2 4.08Å; M94-L103 HydrophobicContact SD-CG 4.48Å; L103-N108 HydrophobicContact CD1-CB 4.18Å; L103-N108 HydrophobicContact CD2-CB 4.33Å; L103-R109 HydrophobicContact CD1-CB 4.33Å; L103-R112 HydrophobicContact CD1-CB 4.04Å; L103-L137 HydrophobicContact CD2-CD1 3.86Å; L103-D140 WeakPolarHBondContact CA-OD1 3.5Å; L103-D140 HydrophobicContact CD2-CB 4.49Å; L103-I143 HydrophobicContact CD2-CD1 4.3Å; L103-I143 HydrophobicContact CD2-CG1 3.94Å
104E97.8Very high97.3Very high136 Ų13680.2 Ų80.264%0.63641%0.411SS*.SBendtrans-69.5-44.8174.4-176-177.3173.800110K102 D140 G141K102-E104 PolarHBondContact O-N 3.09Å; E104-D140 PolarHBondContact N-OD1 3.08Å; E104-D140 PolarHBondContact N-OD2 2.89Å; E104-G141 WeakPolarHBondContact OE2-CA 3.5Å; E104-G141 PolarHBondContact OE2-N 3.35Å
105L97Very high97.3Very high77 Ų7780 Ų8040%0.40341%0.41SS..SBendtrans-101.6120.3-178.7-56.7178.6000110.7E107 N108 D140L105-E107 HydrophobicContact CB-CG 3.95Å; L105-E107 PolarHBondContact O-N 2.83Å; L105-N108 WeakPolarHBondContact O-CB 3.34Å; L105-N108 PolarHBondContact O-N 2.83Å; L105-D140 PolarHBondContact N-OD2 3.13Å; L105-D140 VanDerWaalsContact N-OD2 3.1Å
106S95.1Very high97.3Very high101 Ų10179.9 Ų79.971%0.70640%0.397SS*.G310 helixtrans-61.3-30.5-178.560.60000113.3N108 R109S106-N108 VanDerWaalsContact C-N 3.25Å; S106-N108 PolarHBondContact O-N 2.84Å; S106-R109 VanDerWaalsContact O-CB 3.22Å; S106-R109 WeakPolarHBondContact O-CB 3.26Å; S106-R109 PolarHBondContact O-N 2.77Å
107E95.4Very high97.4Very high113 Ų11382.1 Ų82.153%0.52840%0.399SS..G310 helixtrans-63.1-27.2175.157.5-177.5-114.400113.8L105 R109 K136L105-E107 HydrophobicContact CB-CG 3.95Å; L105-E107 PolarHBondContact O-N 2.83Å; E107-R109 PolarHBondContact O-N 2.72Å; E107-K136 VanDerWaalsContact OE1-CE 3.26Å; E107-K136 WeakPolarHBondContact OE1-CE 3.33Å; E107-K136 IonicContact OE1-NZ 2.7Å; E107-K136 PolarHBondContact OE1-NZ 2.99Å
108N97.8Very high97.4Very high1 Ų184.4 Ų84.41%0.00541%0.413CS..G310 helixtrans-73.2-8.9178.5-74.4-21000112.6L103 L105 S106 K110 L111 R112 K136 L137 D140L103-N108 HydrophobicContact CD1-CB 4.18Å; L103-N108 HydrophobicContact CD2-CB 4.33Å; L105-N108 WeakPolarHBondContact O-CB 3.34Å; L105-N108 PolarHBondContact O-N 2.83Å; S106-N108 VanDerWaalsContact C-N 3.25Å; S106-N108 PolarHBondContact O-N 2.84Å; N108-K110 VanDerWaalsContact C-N 3.34Å; N108-K110 PolarHBondContact O-N 2.85Å; N108-L111 WeakPolarHBondContact O-CB 3.36Å; N108-L111 PolarHBondContact O-N 3.31Å; N108-L111 VanDerWaalsContact O-N 3.11Å; N108-L111 WeakPolarHBondContact OD1-CD1 3.48Å; N108-R112 PolarHBondContact O-N 3.14Å; N108-K136 VanDerWaalsContact OD1-CE 3.24Å; N108-K136 WeakPolarHBondContact OD1-CE 3.48Å; N108-L137 HydrophobicContact CB-CD1 4.04Å; N108-D140 WeakPolarHBondContact ND2-CB 3.34Å; N108-D140 PolarHBondContact ND2-OD2 2.93Å
109R97.6Very high97.5Very high166 Ų16675.7 Ų75.763%0.62638%0.375SS*.Hα-helixtrans-54.6-49.1176.6-175.5-178.3-62.4-1270.2111.8L103 S106 E107 L111 R112 D113L103-R109 HydrophobicContact CD1-CB 4.33Å; S106-R109 VanDerWaalsContact O-CB 3.22Å; S106-R109 WeakPolarHBondContact O-CB 3.26Å; S106-R109 PolarHBondContact O-N 2.77Å; E107-R109 PolarHBondContact O-N 2.72Å; R109-L111 VanDerWaalsContact C-N 3.25Å; R109-L111 PolarHBondContact O-N 2.82Å; R109-R112 WeakPolarHBondContact O-CB 3.25Å; R109-R112 PolarHBondContact O-N 2.69Å; R109-D113 PolarHBondContact O-N 3.42Å
110K97.4Very high97.4Very high174 Ų17473.9 Ų73.976%0.75736%0.364SS*.Hα-helixtrans-60.8-35.7178.9-67.1-177.4178.6-179.80112.4N108 Y114N108-K110 VanDerWaalsContact C-N 3.34Å; N108-K110 PolarHBondContact O-N 2.85Å; K110-Y114 WeakPolarHBondContact O-CB 3.42Å; K110-Y114 PolarHBondContact O-N 2.97Å
111L98Very high97.4Very high21 Ų2174.9 Ų74.911%0.1136%0.36CS..Hα-helixtrans-70.2-44.9177.9-51.9-176.4000110.6N108 R109 D113 Y114 I115 Y133 K136N108-L111 WeakPolarHBondContact O-CB 3.36Å; N108-L111 PolarHBondContact O-N 3.31Å; N108-L111 VanDerWaalsContact O-N 3.11Å; N108-L111 WeakPolarHBondContact OD1-CD1 3.48Å; R109-L111 VanDerWaalsContact C-N 3.25Å; R109-L111 PolarHBondContact O-N 2.82Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 2.77Å; L111-Y114 WeakPolarHBondContact O-CB 3.4Å; L111-Y114 PolarHBondContact O-N 3.47Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.48Å; L111-Y133 HydrophobicContact CD2-CD1 3.63Å; L111-Y133 HydrophobicContact CD2-CD2 4.19Å; L111-Y133 HydrophobicContact CD2-CE1 3.9Å; L111-Y133 HydrophobicContact CD2-CE2 4.42Å; L111-Y133 HydrophobicContact CD2-CG 3.8Å; L111-K136 HydrophobicContact CD1-CB 4.06Å; L111-K136 HydrophobicContact CD1-CD 3.69Å; L111-K136 HydrophobicContact CD1-CG 3.81Å
112R97.9Very high97.1Very high59 Ų5980.4 Ų80.422%0.22340%0.396CS..Hα-helixtrans-58.7-45.5174.6179.4-179.7175.7-82.5-3.1111.4A91 L103 N108 R109 I115 L116 L137A91-R112 HydrophobicContact CB-CG 4.27Å; A91-R112 PolarHBondContact O-NE 3.26Å; A91-R112 PolarHBondContact O-NH2 3Å; A91-R112 VanDerWaalsContact O-NH2 3.13Å; L103-R112 HydrophobicContact CD1-CB 4.04Å; N108-R112 PolarHBondContact O-N 3.14Å; R109-R112 WeakPolarHBondContact O-CB 3.25Å; R109-R112 PolarHBondContact O-N 2.69Å; R112-I115 PolarHBondContact O-N 3.48Å; R112-L116 HydrophobicContact CG-CD1 4Å; R112-L116 HydrophobicContact CG-CG 4.46Å; R112-L116 WeakPolarHBondContact O-CG 3.28Å; R112-L116 PolarHBondContact O-N 3.23Å; R112-L137 HydrophobicContact CB-CD1 4.42Å
113D98Very high96.9Very high53 Ų5378.2 Ų78.228%0.28339%0.393SS..Hα-helixtrans-62.8-44.2179-61-18.6000110.2R109 L111 I115 L116 E117R109-D113 PolarHBondContact O-N 3.42Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 2.77Å; D113-I115 VanDerWaalsContact C-N 3.35Å; D113-I115 PolarHBondContact O-N 2.86Å; D113-L116 PolarHBondContact O-N 3.43Å; D113-E117 VanDerWaalsContact O-CB 3.27Å; D113-E117 WeakPolarHBondContact O-CB 3.46Å; D113-E117 WeakPolarHBondContact O-CG 3.48Å; D113-E117 PolarHBondContact O-N 3.01Å
114Y98.3Very high96.8Very high49 Ų4977.3 Ų77.319%0.19239%0.388CS..Hα-helixtrans-56.6-44.8171.7173-89.3000112.7K110 L111 L116 T118 A119 F124 P127 F130 Y133K110-Y114 WeakPolarHBondContact O-CB 3.42Å; K110-Y114 PolarHBondContact O-N 2.97Å; L111-Y114 WeakPolarHBondContact O-CB 3.4Å; L111-Y114 PolarHBondContact O-N 3.47Å; Y114-L116 VanDerWaalsContact C-N 3.35Å; Y114-L116 PolarHBondContact O-N 3.13Å; Y114-T118 HydrophobicContact CD2-CG2 4.19Å; Y114-T118 HydrophobicContact CE2-CG2 3.72Å; Y114-T118 WeakPolarHBondContact O-CA 3.39Å; Y114-T118 VanDerWaalsContact O-CB 3.25Å; Y114-T118 WeakPolarHBondContact O-CB 3.38Å; Y114-T118 PolarHBondContact O-N 2.98Å; Y114-A119 HydrophobicContact CE1-CB 4.32Å; Y114-A119 PolarHBondContact O-N 3.05Å; Y114-F124 HydrophobicContact CE1-CZ 4.46Å; Y114-F124 WeakPolarHBondContact OH-CE2 3.32Å; Y114-P127 WeakPolarHBondContact OH-CG 3.22Å; Y114-F130 HydrophobicContact CE1-CB 4.3Å; Y114-F130 HydrophobicContact CE1-CD2 4.17Å; Y114-Y133 AromaticContact CD1-CD2 3.55Å; Y114-Y133 HydrophobicContact CD1-CD2 3.55Å; Y114-Y133 HydrophobicContact CD1-CE2 4.06Å; Y114-Y133 HydrophobicContact CD2-CE2 4.31Å; Y114-Y133 AromaticContact CE1-CD2 3.71Å; Y114-Y133 HydrophobicContact CE1-CD2 3.71Å; Y114-Y133 HydrophobicContact CE1-CE2 4.18Å; Y114-Y133 HydrophobicContact CE2-CE2 4.43Å; Y114-Y133 HydrophobicContact CG-CD2 4.02Å; Y114-Y133 HydrophobicContact CG-CE2 4.12Å
115I98.2Very high96.7Very high0 Ų077 Ų770%039%0.39CS..Iπ-helixtrans-62-43.6178.9-68.2-63.6000111I87 C88 A91 L111 R112 D113 A119 S120 F130 L137I87-I115 HydrophobicContact CG1-CD1 4.5Å; I87-I115 HydrophobicContact CG1-CG2 4.29Å; I87-I115 HydrophobicContact CG2-CD1 4.1Å; I87-I115 HydrophobicContact CG2-CG2 4.03Å; C88-I115 HydrophobicContact CB-CG2 4.44Å; A91-I115 HydrophobicContact CB-CG2 4.18Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.48Å; R112-I115 PolarHBondContact O-N 3.48Å; D113-I115 VanDerWaalsContact C-N 3.35Å; D113-I115 PolarHBondContact O-N 2.86Å; I115-A119 HydrophobicContact CD1-CB 4.12Å; I115-A119 PolarHBondContact O-N 3.35Å; I115-S120 PolarHBondContact O-N 3.12Å; I115-S120 VanDerWaalsContact O-N 3.09Å; I115-F130 HydrophobicContact CD1-CD2 3.85Å; I115-F130 HydrophobicContact CD1-CE2 3.71Å; I115-L137 HydrophobicContact CG1-CD2 3.93Å
116L97.7Very high96.7Very high48 Ų4875.2 Ų75.225%0.25138%0.378SS..Iπ-helixtrans-79.9-31.6-175.7-66179.1000114A91 R112 D113 Y114 S120A91-L116 HydrophobicContact CB-CD2 4.01Å; A91-L116 HydrophobicContact CB-CG 4.32Å; R112-L116 HydrophobicContact CG-CD1 4Å; R112-L116 HydrophobicContact CG-CG 4.46Å; R112-L116 WeakPolarHBondContact O-CG 3.28Å; R112-L116 PolarHBondContact O-N 3.23Å; D113-L116 PolarHBondContact O-N 3.43Å; Y114-L116 VanDerWaalsContact C-N 3.35Å; Y114-L116 PolarHBondContact O-N 3.13Å; L116-S120 WeakPolarHBondContact O-CB 3.4Å; L116-S120 PolarHBondContact O-OG 3.39Å
117E97.3Very high96.8Very high132 Ų13271.6 Ų71.662%0.61735%0.353SS*.Iπ-helixtrans-100.7-29-174.2-62.5178.3-18000113D113 K121D113-E117 VanDerWaalsContact O-CB 3.27Å; D113-E117 WeakPolarHBondContact O-CB 3.46Å; D113-E117 WeakPolarHBondContact O-CG 3.48Å; D113-E117 PolarHBondContact O-N 3.01Å; E117-K121 WeakPolarHBondContact O-CE 3.48Å
118T97.7Very high96.9Very high53 Ų5370.7 Ų70.733%0.32536%0.356SS..Iπ-helixtrans-110.4-56.2-177.3-54.60000111.6Y114 S120 K121 F124Y114-T118 HydrophobicContact CD2-CG2 4.19Å; Y114-T118 HydrophobicContact CE2-CG2 3.72Å; Y114-T118 WeakPolarHBondContact O-CA 3.39Å; Y114-T118 VanDerWaalsContact O-CB 3.25Å; Y114-T118 WeakPolarHBondContact O-CB 3.38Å; Y114-T118 PolarHBondContact O-N 2.98Å; T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 2.68Å; T118-K121 WeakPolarHBondContact O-CB 3.35Å; T118-K121 WeakPolarHBondContact O-CG 3.31Å; T118-K121 PolarHBondContact O-N 3.24Å; T118-F124 HydrophobicContact CG2-CE2 4.34Å
119A97.5Very high96.9Very high0 Ų075.4 Ų75.40%038%0.378CS..Iπ-helixtrans-70.5-20.9-174.900000113.8R84 Y114 I115 K121 F124 F130R84-A119 WeakPolarHBondContact CD-O 3.43Å; R84-A119 WeakPolarHBondContact CG-O 3.31Å; Y114-A119 HydrophobicContact CE1-CB 4.32Å; Y114-A119 PolarHBondContact O-N 3.05Å; I115-A119 HydrophobicContact CD1-CB 4.12Å; I115-A119 PolarHBondContact O-N 3.35Å; A119-K121 PolarHBondContact O-N 2.8Å; A119-F124 HydrophobicContact CB-CD1 4.46Å; A119-F124 HydrophobicContact CB-CD2 4.32Å; A119-F124 HydrophobicContact CB-CE1 4.05Å; A119-F124 HydrophobicContact CB-CE2 3.9Å; A119-F124 HydrophobicContact CB-CZ 3.73Å; A119-F130 HydrophobicContact CB-CD2 3.89Å; A119-F130 HydrophobicContact CB-CE2 3.78Å
120S96.3Very high96.9Very high58 Ų5867.5 Ų67.541%0.40635%0.349SS..THydrogen-bonded Turntrans-72.3-12.6177.367.80000114I115 L116 T118I115-S120 PolarHBondContact O-N 3.12Å; I115-S120 VanDerWaalsContact O-N 3.09Å; L116-S120 WeakPolarHBondContact O-CB 3.4Å; L116-S120 PolarHBondContact O-OG 3.39Å; T118-S120 VanDerWaalsContact C-N 3.26Å; T118-S120 PolarHBondContact O-N 2.68Å
121K96.5Very high97Very high107 Ų10759.4 Ų59.447%0.46531%0.313SS..SBendtrans-69.9146.3-175.8-66.2-179.4177.4169.90112.2R84 E117 T118 A119 D123 F124R84-K121 PolarHBondContact NH1-O 2.83Å; R84-K121 VanDerWaalsContact NH1-O 3.14Å; E117-K121 WeakPolarHBondContact O-CE 3.48Å; T118-K121 WeakPolarHBondContact O-CB 3.35Å; T118-K121 WeakPolarHBondContact O-CG 3.31Å; T118-K121 PolarHBondContact O-N 3.24Å; A119-K121 PolarHBondContact O-N 2.8Å; K121-D123 VanDerWaalsContact C-N 3.3Å; K121-D123 WeakPolarHBondContact CB-OD1 3.4Å; K121-D123 PolarHBondContact O-N 2.66Å; K121-F124 WeakPolarHBondContact O-CB 3.27Å; K121-F124 PolarHBondContact O-N 2.55Å
122P92.1Very high97Very high127 Ų12762 Ų6283%0.82533%0.33SS*.THydrogen-bonded Turntrans-60.8-34.6-179.1-24.934.9000114.6F124P122-F124 VanDerWaalsContact C-N 3.34Å
123D93Very high97Very high132 Ų13262.8 Ų62.871%0.70633%0.334SS*.THydrogen-bonded Turntrans-91.914.1-175.461.5-30.8000113.9K121 D125K121-D123 VanDerWaalsContact C-N 3.3Å; K121-D123 WeakPolarHBondContact CB-OD1 3.4Å; K121-D123 PolarHBondContact O-N 2.66Å; D123-D125 PolarHBondContact O-N 3.35Å
124F96.6Very high97Very high17 Ų1760.3 Ų60.38%0.07532%0.32CS..  trans-59132.6178.7-173.1-112.9000112.9R84 Y114 T118 A119 K121 P122 Y126 P127 F130R84-F124 HydrophobicContact CG-CD1 4.29Å; Y114-F124 HydrophobicContact CE1-CZ 4.46Å; Y114-F124 WeakPolarHBondContact OH-CE2 3.32Å; T118-F124 HydrophobicContact CG2-CE2 4.34Å; A119-F124 HydrophobicContact CB-CD1 4.46Å; A119-F124 HydrophobicContact CB-CD2 4.32Å; A119-F124 HydrophobicContact CB-CE1 4.05Å; A119-F124 HydrophobicContact CB-CE2 3.9Å; A119-F124 HydrophobicContact CB-CZ 3.73Å; K121-F124 WeakPolarHBondContact O-CB 3.27Å; K121-F124 PolarHBondContact O-N 2.55Å; P122-F124 VanDerWaalsContact C-N 3.34Å; F124-Y126 AromaticContact CD1-CD1 3.82Å; F124-Y126 HydrophobicContact CD1-CD1 3.82Å; F124-Y126 HydrophobicContact CD1-CD2 4.41Å; F124-Y126 AromaticContact CD1-CE1 3.99Å; F124-Y126 HydrophobicContact CD1-CE1 3.99Å; F124-Y126 HydrophobicContact CD1-CG 4.05Å; F124-Y126 AromaticContact CE1-CD1 3.83Å; F124-Y126 HydrophobicContact CE1-CD1 3.83Å; F124-Y126 HydrophobicContact CE1-CE1 4.34Å; F124-Y126 HydrophobicContact CE1-CG 4.17Å; F124-Y126 WeakPolarHBondContact O-CD2 3.49Å; F124-Y126 WeakPolarHBondContact O-CE2 3.15Å; F124-P127 HydrophobicContact CE2-CG 4.48Å; F124-P127 HydrophobicContact CZ-CG 4.35Å; F124-F130 HydrophobicContact CE1-CB 4.21Å; F124-F130 AromaticContact CE1-CD1 3.86Å; F124-F130 HydrophobicContact CE1-CD1 3.86Å; F124-F130 AromaticContact CE1-CD2 3.64Å; F124-F130 HydrophobicContact CE1-CD2 3.64Å; F124-F130 HydrophobicContact CE1-CE1 4.12Å; F124-F130 AromaticContact CE1-CE2 3.91Å; F124-F130 HydrophobicContact CE1-CE2 3.91Å; F124-F130 AromaticContact CE1-CG 3.62Å; F124-F130 HydrophobicContact CE1-CG 3.62Å; F124-F130 HydrophobicContact CE1-CZ 4.16Å; F124-F130 HydrophobicContact CZ-CB 3.72Å; F124-F130 HydrophobicContact CZ-CD1 4.23Å; F124-F130 AromaticContact CZ-CD2 3.5Å; F124-F130 HydrophobicContact CZ-CD2 3.5Å; F124-F130 VanDerWaalsContact CZ-CD2 3.5Å; F124-F130 HydrophobicContact CZ-CE2 4.17Å; F124-F130 AromaticContact CZ-CG 3.54Å; F124-F130 HydrophobicContact CZ-CG 3.54Å
125D95.6Very high97Very high128 Ų12858.8 Ų58.868%0.68432%0.318SS*.  trans-102.41.3-168.564.7-25000114.8D123 P127D123-D125 PolarHBondContact O-N 3.35Å; D125-P127 WeakPolarHBondContact OD1-CD 3.28Å
126Y97Very high97.1Very high40 Ų4063.2 Ų63.216%0.15734%0.337CS..  trans58.959.6175.5-52-88.9000114.5R80 K81 R84 F124 F130 F131R80-Y126 HydrophobicContact CB-CD1 3.81Å; R80-Y126 HydrophobicContact CB-CE1 3.81Å; R80-Y126 HydrophobicContact CB-CG 4.27Å; R80-Y126 WeakPolarHBondContact O-CE1 3.36Å; K81-Y126 VanDerWaalsContact CA-OH 3.32Å; K81-Y126 WeakPolarHBondContact CA-OH 3.49Å; K81-Y126 WeakPolarHBondContact CB-OH 3.4Å; R84-Y126 HydrophobicContact CB-CE1 3.82Å; R84-Y126 HydrophobicContact CG-CE1 4.28Å; F124-Y126 AromaticContact CD1-CD1 3.82Å; F124-Y126 HydrophobicContact CD1-CD1 3.82Å; F124-Y126 HydrophobicContact CD1-CD2 4.41Å; F124-Y126 AromaticContact CD1-CE1 3.99Å; F124-Y126 HydrophobicContact CD1-CE1 3.99Å; F124-Y126 HydrophobicContact CD1-CG 4.05Å; F124-Y126 AromaticContact CE1-CD1 3.83Å; F124-Y126 HydrophobicContact CE1-CD1 3.83Å; F124-Y126 HydrophobicContact CE1-CE1 4.34Å; F124-Y126 HydrophobicContact CE1-CG 4.17Å; F124-Y126 WeakPolarHBondContact O-CD2 3.49Å; F124-Y126 WeakPolarHBondContact O-CE2 3.15Å; Y126-F130 HydrophobicContact CD1-CD1 4.3Å; Y126-F130 AromaticContact CD1-CE1 3.97Å; Y126-F130 HydrophobicContact CD1-CE1 3.97Å; Y126-F131 HydrophobicContact CD1-CZ 4.42Å
127P97.2Very high97.1Very high26 Ų2661 Ų6117%0.16933%0.325CS..  trans-66.3155178.331.3-35.9000111.5Y114 F124 D125 E129 F130Y114-P127 WeakPolarHBondContact OH-CG 3.22Å; F124-P127 HydrophobicContact CE2-CG 4.48Å; F124-P127 HydrophobicContact CZ-CG 4.35Å; D125-P127 WeakPolarHBondContact OD1-CD 3.28Å; P127-E129 PolarHBondContact O-N 3.14Å; P127-E129 VanDerWaalsContact O-N 3.11Å; P127-F130 HydrophobicContact CG-CB 4.15Å; P127-F130 VanDerWaalsContact O-CB 3.27Å; P127-F130 WeakPolarHBondContact O-CB 3.36Å; P127-F130 PolarHBondContact O-N 3.35Å
128P97.2Very high97.1Very high93 Ų9355.3 Ų55.360%0.60430%0.298SS*.Hα-helixtrans-54.2-34.5-177.9-27.636.2000114.4F130 F131 T132P128-F130 VanDerWaalsContact C-N 3.26Å; P128-F130 PolarHBondContact O-N 3.45Å; P128-F131 PolarHBondContact O-N 3.49Å; P128-T132 PolarHBondContact O-N 3.12Å
129E97Very high97.2Very high101 Ų10161.1 Ų61.147%0.47232%0.319SS..Hα-helixtrans-63.4-32.4179.2-62.773.4-158.800112P127 F131 T132 Y133P127-E129 PolarHBondContact O-N 3.14Å; P127-E129 VanDerWaalsContact O-N 3.11Å; E129-F131 VanDerWaalsContact C-N 3.34Å; E129-F131 PolarHBondContact O-N 3.3Å; E129-T132 WeakPolarHBondContact O-CB 3.38Å; E129-T132 PolarHBondContact O-N 3.07Å; E129-T132 VanDerWaalsContact O-N 3.16Å; E129-Y133 HydrophobicContact CB-CE1 4.32Å; E129-Y133 HydrophobicContact CB-CE2 4.28Å; E129-Y133 VanDerWaalsContact O-CD1 3.31Å; E129-Y133 WeakPolarHBondContact O-CD1 3.46Å; E129-Y133 PolarHBondContact O-N 3.05Å
130F98.5Very high97.2Very high0 Ų061.2 Ų61.20%032%0.32CS..Hα-helixtrans-58.7-45.3178.4161-102.8000111.9L83 R84 I87 Y114 I115 A119 F124 Y126 P127 P128 T132 Y133 C134L83-F130 HydrophobicContact CD2-CE1 3.67Å; L83-F130 HydrophobicContact CD2-CZ 3.62Å; R84-F130 HydrophobicContact CB-CE1 4.39Å; R84-F130 HydrophobicContact CB-CE2 4.4Å; R84-F130 HydrophobicContact CB-CZ 3.67Å; R84-F130 HydrophobicContact CG-CE2 4.24Å; R84-F130 HydrophobicContact CG-CZ 3.97Å; I87-F130 HydrophobicContact CG2-CE2 4.32Å; I87-F130 HydrophobicContact CG2-CZ 4.47Å; Y114-F130 HydrophobicContact CE1-CB 4.3Å; Y114-F130 HydrophobicContact CE1-CD2 4.17Å; I115-F130 HydrophobicContact CD1-CD2 3.85Å; I115-F130 HydrophobicContact CD1-CE2 3.71Å; A119-F130 HydrophobicContact CB-CD2 3.89Å; A119-F130 HydrophobicContact CB-CE2 3.78Å; F124-F130 HydrophobicContact CE1-CB 4.21Å; F124-F130 AromaticContact CE1-CD1 3.86Å; F124-F130 HydrophobicContact CE1-CD1 3.86Å; F124-F130 AromaticContact CE1-CD2 3.64Å; F124-F130 HydrophobicContact CE1-CD2 3.64Å; F124-F130 HydrophobicContact CE1-CE1 4.12Å; F124-F130 AromaticContact CE1-CE2 3.91Å; F124-F130 HydrophobicContact CE1-CE2 3.91Å; F124-F130 AromaticContact CE1-CG 3.62Å; F124-F130 HydrophobicContact CE1-CG 3.62Å; F124-F130 HydrophobicContact CE1-CZ 4.16Å; F124-F130 HydrophobicContact CZ-CB 3.72Å; F124-F130 HydrophobicContact CZ-CD1 4.23Å; F124-F130 AromaticContact CZ-CD2 3.5Å; F124-F130 HydrophobicContact CZ-CD2 3.5Å; F124-F130 VanDerWaalsContact CZ-CD2 3.5Å; F124-F130 HydrophobicContact CZ-CE2 4.17Å; F124-F130 AromaticContact CZ-CG 3.54Å; F124-F130 HydrophobicContact CZ-CG 3.54Å; Y126-F130 HydrophobicContact CD1-CD1 4.3Å; Y126-F130 AromaticContact CD1-CE1 3.97Å; Y126-F130 HydrophobicContact CD1-CE1 3.97Å; P127-F130 HydrophobicContact CG-CB 4.15Å; P127-F130 VanDerWaalsContact O-CB 3.27Å; P127-F130 WeakPolarHBondContact O-CB 3.36Å; P127-F130 PolarHBondContact O-N 3.35Å; P128-F130 VanDerWaalsContact C-N 3.26Å; P128-F130 PolarHBondContact O-N 3.45Å; F130-T132 VanDerWaalsContact C-N 3.3Å; F130-T132 PolarHBondContact O-N 3.27Å; F130-Y133 PolarHBondContact O-N 2.87Å; F130-Y133 VanDerWaalsContact O-N 3.15Å; F130-C134 WeakPolarHBondContact CE2-SG 3.5Å; F130-C134 WeakPolarHBondContact CZ-SG 3.27Å; F130-C134 PolarHBondContact O-N 3.16Å; F130-C134 PolarHBondContact O-SG 2.99Å
131F98.6Very high97.3Very high4 Ų459.6 Ų59.62%0.01831%0.313CS..Hα-helixtrans-66.2-35.4179-60.3-80.1000111.9R80 L83 Y126 P128 E129 C134 A135 A166 V169 G170R80-F131 HydrophobicContact CG-CE1 4.08Å; R80-F131 HydrophobicContact CG-CZ 3.87Å; L83-F131 HydrophobicContact CD1-CD1 4.28Å; L83-F131 HydrophobicContact CD1-CE1 4.49Å; Y126-F131 HydrophobicContact CD1-CZ 4.42Å; P128-F131 PolarHBondContact O-N 3.49Å; E129-F131 VanDerWaalsContact C-N 3.34Å; E129-F131 PolarHBondContact O-N 3.3Å; F131-C134 PolarHBondContact O-N 2.95Å; F131-A135 WeakPolarHBondContact O-CB 3.5Å; F131-A135 PolarHBondContact O-N 3.37Å; F131-A166 WeakPolarHBondContact CD1-O 2.98Å; F131-V169 HydrophobicContact CE1-CG1 4.01Å; F131-G170 VanDerWaalsContact CD1-CA 3.47Å
132T98.4Very high97.4Very high75 Ų7554.6 Ų54.646%0.4629%0.291SS..Hα-helixtrans-63.2-43.3171.8-57.70000111.2P128 E129 F130 A135 K136P128-T132 PolarHBondContact O-N 3.12Å; E129-T132 WeakPolarHBondContact O-CB 3.38Å; E129-T132 PolarHBondContact O-N 3.07Å; E129-T132 VanDerWaalsContact O-N 3.16Å; F130-T132 VanDerWaalsContact C-N 3.3Å; F130-T132 PolarHBondContact O-N 3.27Å; T132-A135 PolarHBondContact O-N 3.42Å; T132-K136 PolarHBondContact O-N 3.12Å
133Y98.5Very high97.7Very high76 Ų7648.6 Ų48.630%0.29825%0.252SS..Hα-helixtrans-66.5-41.5177.7-63.2-10.2000111.7L111 Y114 E129 F130 K136 L137L111-Y133 HydrophobicContact CD2-CD1 3.63Å; L111-Y133 HydrophobicContact CD2-CD2 4.19Å; L111-Y133 HydrophobicContact CD2-CE1 3.9Å; L111-Y133 HydrophobicContact CD2-CE2 4.42Å; L111-Y133 HydrophobicContact CD2-CG 3.8Å; Y114-Y133 AromaticContact CD1-CD2 3.55Å; Y114-Y133 HydrophobicContact CD1-CD2 3.55Å; Y114-Y133 HydrophobicContact CD1-CE2 4.06Å; Y114-Y133 HydrophobicContact CD2-CE2 4.31Å; Y114-Y133 AromaticContact CE1-CD2 3.71Å; Y114-Y133 HydrophobicContact CE1-CD2 3.71Å; Y114-Y133 HydrophobicContact CE1-CE2 4.18Å; Y114-Y133 HydrophobicContact CE2-CE2 4.43Å; Y114-Y133 HydrophobicContact CG-CD2 4.02Å; Y114-Y133 HydrophobicContact CG-CE2 4.12Å; E129-Y133 HydrophobicContact CB-CE1 4.32Å; E129-Y133 HydrophobicContact CB-CE2 4.28Å; E129-Y133 VanDerWaalsContact O-CD1 3.31Å; E129-Y133 WeakPolarHBondContact O-CD1 3.46Å; E129-Y133 PolarHBondContact O-N 3.05Å; F130-Y133 PolarHBondContact O-N 2.87Å; F130-Y133 VanDerWaalsContact O-N 3.15Å; Y133-K136 PolarHBondContact O-N 3.38Å; Y133-L137 WeakPolarHBondContact O-CB 3.4Å; Y133-L137 PolarHBondContact O-N 3.39Å
134C98.7Very high98Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-59.2-47.8172.6-66.40000111.5L83 F130 F131 K136 L137 W138 A166L83-C134 HydrophobicContact CD2-CB 4.07Å; F130-C134 WeakPolarHBondContact CE2-SG 3.5Å; F130-C134 WeakPolarHBondContact CZ-SG 3.27Å; F130-C134 PolarHBondContact O-N 3.16Å; F130-C134 PolarHBondContact O-SG 2.99Å; F131-C134 PolarHBondContact O-N 2.95Å; C134-K136 VanDerWaalsContact C-N 3.31Å; C134-K136 PolarHBondContact O-N 3.13Å; C134-L137 PolarHBondContact O-N 2.86Å; C134-W138 WeakPolarHBondContact O-CB 3.42Å; C134-W138 PolarHBondContact O-N 2.9Å; C134-A166 HydrophobicContact CB-CB 4.13Å
135A98.5Very high98.1Very high18 Ų1848.8 Ų48.815%0.14925%0.249CC..Hα-helixtrans-63-36.318000000112.8F131 T132 K139 A166 L167F131-A135 WeakPolarHBondContact O-CB 3.5Å; F131-A135 PolarHBondContact O-N 3.37Å; T132-A135 PolarHBondContact O-N 3.42Å; A135-K139 WeakPolarHBondContact O-CG 3.03Å; A135-A166 HydrophobicContact CB-CB 4.26Å; A135-L167 HydrophobicContact CB-CD1 4.39Å; A135-L167 HydrophobicContact CB-CD2 3.91Å; A135-L167 HydrophobicContact CB-CG 3.84Å
136K98.3Very high98.2Very high93 Ų9342.7 Ų42.740%0.40422%0.217SC..Hα-helixtrans-73-48175.9-177.9166174.3-178.80111.8E107 N108 L111 T132 Y133 C134 W138 K139E107-K136 VanDerWaalsContact OE1-CE 3.26Å; E107-K136 WeakPolarHBondContact OE1-CE 3.33Å; E107-K136 IonicContact OE1-NZ 2.7Å; E107-K136 PolarHBondContact OE1-NZ 2.99Å; N108-K136 VanDerWaalsContact OD1-CE 3.24Å; N108-K136 WeakPolarHBondContact OD1-CE 3.48Å; L111-K136 HydrophobicContact CD1-CB 4.06Å; L111-K136 HydrophobicContact CD1-CD 3.69Å; L111-K136 HydrophobicContact CD1-CG 3.81Å; T132-K136 PolarHBondContact O-N 3.12Å; Y133-K136 PolarHBondContact O-N 3.38Å; C134-K136 VanDerWaalsContact C-N 3.31Å; C134-K136 PolarHBondContact O-N 3.13Å; K136-W138 VanDerWaalsContact C-N 3.33Å; K136-W138 PolarHBondContact O-N 2.78Å; K136-K139 PolarHBondContact O-N 2.8Å
137L98.2Very high98.2Very high0 Ų042 Ų420%021%0.214CC..Hα-helixtrans-66.1-36.6-179.3-171.362.7000111.5I87 L103 N108 R112 I115 Y133 C134 K139 D140 I143I87-L137 HydrophobicContact CD1-CD2 4.09Å; I87-L137 HydrophobicContact CD1-CG 4.35Å; I87-L137 HydrophobicContact CG1-CD2 4.12Å; L103-L137 HydrophobicContact CD2-CD1 3.86Å; N108-L137 HydrophobicContact CB-CD1 4.04Å; R112-L137 HydrophobicContact CB-CD1 4.42Å; I115-L137 HydrophobicContact CG1-CD2 3.93Å; Y133-L137 WeakPolarHBondContact O-CB 3.4Å; Y133-L137 PolarHBondContact O-N 3.39Å; C134-L137 PolarHBondContact O-N 2.86Å; L137-K139 PolarHBondContact O-N 2.96Å; L137-D140 VanDerWaalsContact O-CB 3.25Å; L137-D140 WeakPolarHBondContact O-CB 3.17Å; L137-D140 PolarHBondContact O-N 3.12Å; L137-I143 HydrophobicContact CD1-CD1 3.96Å; L137-I143 HydrophobicContact CD1-CG1 3.72Å; L137-I143 HydrophobicContact CD2-CD1 4.16Å; L137-I143 HydrophobicContact CG-CD1 3.83Å; L137-I143 HydrophobicContact CG-CG1 3.79Å; L137-I143 WeakPolarHBondContact O-CB 3.5Å; L137-I143 WeakPolarHBondContact O-CG1 3.4Å; L137-I143 WeakPolarHBondContact O-CG2 3.45Å
138W98.6Very high98.2Very high13 Ų1344.6 Ų44.65%0.04922%0.224CC..Hα-helixtrans-60-28.2176.2-176.6-129.1000112.7I90 C134 K136 D140 I143 Q144 F147 K160 L163 D164I90-W138 HydrophobicContact CD1-CE3 4.47Å; I90-W138 HydrophobicContact CD1-CZ3 3.81Å; C134-W138 WeakPolarHBondContact O-CB 3.42Å; C134-W138 PolarHBondContact O-N 2.9Å; K136-W138 VanDerWaalsContact C-N 3.33Å; K136-W138 PolarHBondContact O-N 2.78Å; W138-D140 VanDerWaalsContact C-N 3.34Å; W138-I143 HydrophobicContact CE3-CG2 3.82Å; W138-I143 HydrophobicContact CZ3-CG2 4.26Å; W138-Q144 VanDerWaalsContact CE3-NE2 3.32Å; W138-Q144 VanDerWaalsContact CZ2-NE2 3.32Å; W138-Q144 PolarHBondContact O-NE2 2.77Å; W138-F147 HydrophobicContact CH2-CB 3.88Å; W138-F147 AromaticContact CH2-CD1 3.75Å; W138-F147 HydrophobicContact CH2-CD1 3.75Å; W138-F147 AromaticContact CH2-CD2 3.67Å; W138-F147 HydrophobicContact CH2-CD2 3.67Å; W138-F147 HydrophobicContact CH2-CE1 4.23Å; W138-F147 HydrophobicContact CH2-CE2 4.15Å; W138-F147 AromaticContact CH2-CG 3.46Å; W138-F147 HydrophobicContact CH2-CG 3.46Å; W138-F147 VanDerWaalsContact CH2-CG 3.46Å; W138-F147 HydrophobicContact CH2-CZ 4.42Å; W138-F147 HydrophobicContact CZ3-CB 3.81Å; W138-F147 HydrophobicContact CZ3-CD2 4.12Å; W138-F147 AromaticContact CZ3-CG 3.9Å; W138-F147 HydrophobicContact CZ3-CG 3.9Å; W138-K160 HydrophobicContact CZ2-CB 4.23Å; W138-K160 HydrophobicContact CZ2-CG 4.12Å; W138-L163 HydrophobicContact CD2-CB 3.63Å; W138-L163 HydrophobicContact CD2-CD1 4Å; W138-L163 HydrophobicContact CD2-CG 4.35Å; W138-L163 HydrophobicContact CE3-CB 4.19Å; W138-L163 HydrophobicContact CE3-CD1 3.63Å; W138-L163 HydrophobicContact CE3-CG 4.45Å; W138-L163 HydrophobicContact CG-CB 3.79Å; W138-L163 HydrophobicContact CH2-CD1 4.19Å; W138-L163 HydrophobicContact CZ2-CB 4.26Å; W138-L163 HydrophobicContact CZ2-CD1 4.49Å; W138-L163 HydrophobicContact CZ3-CD1 3.76Å; W138-D164 PolarHBondContact NE1-OD1 3.25Å
139K98.4Very high98.1Very high176 Ų17641.8 Ų41.877%0.76520%0.202SC*.THydrogen-bonded Turntrans-83.7-4.9177.3-66.9176.4-179.2-178.20114.3A135 K136 L137A135-K139 WeakPolarHBondContact O-CG 3.03Å; K136-K139 PolarHBondContact O-N 2.8Å; L137-K139 PolarHBondContact O-N 2.96Å
140D98.6Very high98.1Very high1 Ų138.5 Ų38.51%0.00519%0.19CC..SBendtrans-71.6132.6178.3-171.1-83.6000110.9L103 E104 L105 N108 L137 W138 G142 I143 Q144L103-D140 WeakPolarHBondContact CA-OD1 3.5Å; L103-D140 HydrophobicContact CD2-CB 4.49Å; E104-D140 PolarHBondContact N-OD1 3.08Å; E104-D140 PolarHBondContact N-OD2 2.89Å; L105-D140 PolarHBondContact N-OD2 3.13Å; L105-D140 VanDerWaalsContact N-OD2 3.1Å; N108-D140 WeakPolarHBondContact ND2-CB 3.34Å; N108-D140 PolarHBondContact ND2-OD2 2.93Å; L137-D140 VanDerWaalsContact O-CB 3.25Å; L137-D140 WeakPolarHBondContact O-CB 3.17Å; L137-D140 PolarHBondContact O-N 3.12Å; W138-D140 VanDerWaalsContact C-N 3.34Å; D140-G142 VanDerWaalsContact C-N 3.25Å; D140-G142 PolarHBondContact O-N 3.27Å; D140-G142 WeakPolarHBondContact OD1-CA 3.24Å; D140-G142 PolarHBondContact OD1-N 3.06Å; D140-I143 HydrophobicContact CB-CB 4.12Å; D140-I143 HydrophobicContact CB-CG1 3.96Å; D140-I143 WeakPolarHBondContact O-CB 3.31Å; D140-I143 PolarHBondContact O-N 3.11Å; D140-Q144 PolarHBondContact O-N 2.89Å
141G98.3Very high98Very high25 Ų2540.6 Ų40.626%0.25820%0.201SC..Hα-helixtrans-60.2-32.7-179.700000113.8E104 Q144 E145E104-G141 WeakPolarHBondContact OE2-CA 3.5Å; E104-G141 PolarHBondContact OE2-N 3.35Å; G141-Q144 PolarHBondContact O-N 3.3Å; G141-E145 VanDerWaalsContact O-CB 3.3Å; G141-E145 WeakPolarHBondContact O-CB 3.42Å; G141-E145 PolarHBondContact O-N 2.61Å
142G98.4Very high97.8Very high2 Ų244.9 Ų44.92%0.02122%0.221CC..Hα-helixtrans-69.4-34.1175.200000112.9V101 K102 D140 T146V101-G142 VanDerWaalsContact CG1-O 3.24Å; V101-G142 WeakPolarHBondContact CG1-O 3.49Å; K102-G142 WeakPolarHBondContact O-CA 3.45Å; D140-G142 VanDerWaalsContact C-N 3.25Å; D140-G142 PolarHBondContact O-N 3.27Å; D140-G142 WeakPolarHBondContact OD1-CA 3.24Å; D140-G142 PolarHBondContact OD1-N 3.06Å; G142-T146 WeakPolarHBondContact O-CB 3.4Å; G142-T146 PolarHBondContact O-N 2.94Å; G142-T146 PolarHBondContact O-OG1 3.11Å
143I98.6Very high97.8Very high0 Ų042.8 Ų42.80%021%0.205CC..Hα-helixtrans-71.7-42.8174.9-67.4-77000110.3I87 I90 A91 M94 L103 L137 W138 D140 T146 F147I87-I143 HydrophobicContact CD1-CG2 4.41Å; I90-I143 HydrophobicContact CG2-CD1 4.4Å; I90-I143 HydrophobicContact CG2-CG2 3.92Å; A91-I143 HydrophobicContact CB-CD1 4.33Å; M94-I143 HydrophobicContact CE-CD1 4.42Å; M94-I143 HydrophobicContact SD-CD1 3.59Å; M94-I143 VanDerWaalsContact SD-CD1 3.59Å; M94-I143 HydrophobicContact SD-CG1 4.38Å; L103-I143 HydrophobicContact CD2-CD1 4.3Å; L103-I143 HydrophobicContact CD2-CG1 3.94Å; L137-I143 HydrophobicContact CD1-CD1 3.96Å; L137-I143 HydrophobicContact CD1-CG1 3.72Å; L137-I143 HydrophobicContact CD2-CD1 4.16Å; L137-I143 HydrophobicContact CG-CD1 3.83Å; L137-I143 HydrophobicContact CG-CG1 3.79Å; L137-I143 WeakPolarHBondContact O-CB 3.5Å; L137-I143 WeakPolarHBondContact O-CG1 3.4Å; L137-I143 WeakPolarHBondContact O-CG2 3.45Å; W138-I143 HydrophobicContact CE3-CG2 3.82Å; W138-I143 HydrophobicContact CZ3-CG2 4.26Å; D140-I143 HydrophobicContact CB-CB 4.12Å; D140-I143 HydrophobicContact CB-CG1 3.96Å; D140-I143 WeakPolarHBondContact O-CB 3.31Å; D140-I143 PolarHBondContact O-N 3.11Å; I143-T146 PolarHBondContact O-N 3.31Å; I143-F147 PolarHBondContact O-N 3.48Å
144Q98.4Very high97.7Very high57 Ų5741.5 Ų41.527%0.26620%0.202SC..Hα-helixtrans-61.8-46.6174-71.9-63.3-50.200111.5W138 D140 G141 T146 F147 E148W138-Q144 VanDerWaalsContact CE3-NE2 3.32Å; W138-Q144 VanDerWaalsContact CZ2-NE2 3.32Å; W138-Q144 PolarHBondContact O-NE2 2.77Å; D140-Q144 PolarHBondContact O-N 2.89Å; G141-Q144 PolarHBondContact O-N 3.3Å; Q144-T146 VanDerWaalsContact C-N 3.28Å; Q144-T146 PolarHBondContact O-N 3.29Å; Q144-F147 WeakPolarHBondContact O-CB 3.49Å; Q144-F147 PolarHBondContact O-N 2.87Å; Q144-F147 VanDerWaalsContact O-N 3.1Å; Q144-E148 WeakPolarHBondContact O-CG 3.23Å; Q144-E148 PolarHBondContact O-N 3.18Å
145E97.9Very high97.6Very high97 Ų9741.9 Ų41.945%0.45320%0.204SC..Hα-helixtrans-58.1-41.8174.9-176.9-173.7157.200111.7V101 G141 F147 E148 R149V101-E145 HydrophobicContact CG1-CB 4.07Å; V101-E145 HydrophobicContact CG1-CG 4.19Å; V101-E145 HydrophobicContact CG2-CG 4.22Å; G141-E145 VanDerWaalsContact O-CB 3.3Å; G141-E145 WeakPolarHBondContact O-CB 3.42Å; G141-E145 PolarHBondContact O-N 2.61Å; E145-F147 VanDerWaalsContact C-N 3.35Å; E145-F147 PolarHBondContact O-N 2.94Å; E145-E148 PolarHBondContact O-N 3.44Å; E145-R149 WeakPolarHBondContact O-CG 3.34Å; E145-R149 PolarHBondContact O-N 3.08Å
146T98.5Very high97.5Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-66.3-37.1176.8-580000111.9I90 A93 M94 L97 V101 G142 I143 Q144 R149 S150 Y153I90-T146 HydrophobicContact CG2-CG2 3.87Å; I90-T146 VanDerWaalsContact O-CG2 3.25Å; I90-T146 WeakPolarHBondContact O-CG2 3.38Å; A93-T146 HydrophobicContact CB-CG2 4.04Å; M94-T146 HydrophobicContact CG-CG2 3.96Å; M94-T146 WeakPolarHBondContact CG-OG1 3.35Å; L97-T146 HydrophobicContact CD1-CG2 3.78Å; V101-T146 WeakPolarHBondContact CB-OG1 3.31Å; G142-T146 WeakPolarHBondContact O-CB 3.4Å; G142-T146 PolarHBondContact O-N 2.94Å; G142-T146 PolarHBondContact O-OG1 3.11Å; I143-T146 PolarHBondContact O-N 3.31Å; Q144-T146 VanDerWaalsContact C-N 3.28Å; Q144-T146 PolarHBondContact O-N 3.29Å; T146-R149 CarbonylContact O-C 3.57Å; T146-R149 PolarHBondContact O-N 3.16Å; T146-S150 PolarHBondContact O-N 3.43Å; T146-Y153 HydrophobicContact CG2-CE1 4.08Å; T146-Y153 VanDerWaalsContact O-CE1 3.27Å; T146-Y153 WeakPolarHBondContact O-CE1 3.26Å; T146-Y153 PolarHBondContact O-OH 2.91Å
147F98Very high97.3Very high24 Ų2440.3 Ų40.311%0.10520%0.197CC..Hα-helixtrans-65.3-40.5173.5170.3-101.6000112.4I90 W138 I143 Q144 E145 R149 S150 L155 K160I90-F147 HydrophobicContact CD1-CB 4.44Å; I90-F147 HydrophobicContact CD1-CD2 4.11Å; W138-F147 HydrophobicContact CH2-CB 3.88Å; W138-F147 AromaticContact CH2-CD1 3.75Å; W138-F147 HydrophobicContact CH2-CD1 3.75Å; W138-F147 AromaticContact CH2-CD2 3.67Å; W138-F147 HydrophobicContact CH2-CD2 3.67Å; W138-F147 HydrophobicContact CH2-CE1 4.23Å; W138-F147 HydrophobicContact CH2-CE2 4.15Å; W138-F147 AromaticContact CH2-CG 3.46Å; W138-F147 HydrophobicContact CH2-CG 3.46Å; W138-F147 VanDerWaalsContact CH2-CG 3.46Å; W138-F147 HydrophobicContact CH2-CZ 4.42Å; W138-F147 HydrophobicContact CZ3-CB 3.81Å; W138-F147 HydrophobicContact CZ3-CD2 4.12Å; W138-F147 AromaticContact CZ3-CG 3.9Å; W138-F147 HydrophobicContact CZ3-CG 3.9Å; I143-F147 PolarHBondContact O-N 3.48Å; Q144-F147 WeakPolarHBondContact O-CB 3.49Å; Q144-F147 PolarHBondContact O-N 2.87Å; Q144-F147 VanDerWaalsContact O-N 3.1Å; E145-F147 VanDerWaalsContact C-N 3.35Å; E145-F147 PolarHBondContact O-N 2.94Å; F147-R149 PolarHBondContact O-N 3.44Å; F147-R149 VanDerWaalsContact O-N 3.15Å; F147-S150 WeakPolarHBondContact O-CB 3.45Å; F147-S150 PolarHBondContact O-N 2.68Å; F147-S150 PolarHBondContact O-OG 3.38Å; F147-L155 HydrophobicContact CD2-CD2 3.55Å; F147-L155 HydrophobicContact CE2-CD2 3.75Å; F147-K160 HydrophobicContact CE1-CB 4.39Å; F147-K160 HydrophobicContact CE1-CD 4.11Å; F147-K160 HydrophobicContact CE2-CB 4.04Å; F147-K160 HydrophobicContact CZ-CB 3.66Å; F147-K160 HydrophobicContact CZ-CD 4.06Å; F147-K160 HydrophobicContact CZ-CG 4.37Å
148E96.1Very high97.2Very high82 Ų8240.6 Ų40.638%0.38320%0.199SC..Hα-helixtrans-62.4-21.1175.8-69.4-58.9152.800113Q144 E145 K289Q144-E148 WeakPolarHBondContact O-CG 3.23Å; Q144-E148 PolarHBondContact O-N 3.18Å; E145-E148 PolarHBondContact O-N 3.44Å; E148-K289 IonicContact OE1-NZ 2.62Å; E148-K289 IonicContact OE2-NZ 2.76Å; E148-K289 PolarHBondContact OE2-NZ 3.01Å
149R96.3Very high97.2Very high34 Ų3440 Ų4013%0.12820%0.197CC..THydrogen-bonded Turntrans-98.717.9174.5-63.7176.463.5-179.10.8113.1L97 K98 P99 E145 T146 F147 N151 E152L97-R149 HydrophobicContact CD1-CB 4.09Å; L97-R149 HydrophobicContact CD2-CB 4.31Å; K98-R149 PolarHBondContact O-NH2 3.34Å; P99-R149 PolarHBondContact O-NH1 3.44Å; E145-R149 WeakPolarHBondContact O-CG 3.34Å; E145-R149 PolarHBondContact O-N 3.08Å; T146-R149 CarbonylContact O-C 3.57Å; T146-R149 PolarHBondContact O-N 3.16Å; F147-R149 PolarHBondContact O-N 3.44Å; F147-R149 VanDerWaalsContact O-N 3.15Å; R149-N151 PolarHBondContact O-N 2.89Å; R149-E152 WeakPolarHBondContact CB-OE1 3.31Å; R149-E152 IonicContact CZ-OE1 2.77Å; R149-E152 IonicContact CZ-OE2 3.7Å; R149-E152 IonicContact NE-OE1 3.06Å; R149-E152 PolarHBondContact NE-OE1 2.98Å; R149-E152 IonicContact NE-OE2 3.22Å; R149-E152 IonicContact NH2-OE1 3.44Å; R149-E152 PolarHBondContact NH2-OE1 3.15Å; R149-E152 IonicContact NH2-OE2 3.67Å; R149-E152 PolarHBondContact NH2-OE2 2.7Å; R149-E152 WeakPolarHBondContact O-CB 3.44Å; R149-E152 PolarHBondContact O-N 3.07Å
150S96.6Very high97.2Very high32 Ų3235.8 Ų35.822%0.22418%0.178CC..G310 helixtrans-61.9-9.9-177.254.80000115.3T146 F147 E152T146-S150 PolarHBondContact O-N 3.43Å; F147-S150 WeakPolarHBondContact O-CB 3.45Å; F147-S150 PolarHBondContact O-N 2.68Å; F147-S150 PolarHBondContact O-OG 3.38Å; S150-E152 VanDerWaalsContact C-N 3.26Å
151N95.3Very high97.1Very high43 Ų4338.3 Ų38.323%0.2319%0.188CC..G310 helixtrans-74.1-15.2169.165.9-79.4000113.6R149 N238R149-N151 PolarHBondContact O-N 2.89Å; N151-N238 HydrophobicContact CB-CB 4.47Å; N151-N238 WeakPolarHBondContact CB-ND2 3.35Å
152E95.8Very high97.2Very high95 Ų9537.1 Ų37.144%0.44418%0.176SC..G310 helixtrans-88.5-6.7179.9-62.6178.1-12600113.2L97 R149 S150L97-E152 HydrophobicContact CD2-CB 3.62Å; L97-E152 HydrophobicContact CD2-CG 4.29Å; L97-E152 WeakPolarHBondContact CD2-OE2 3Å; R149-E152 WeakPolarHBondContact CB-OE1 3.31Å; R149-E152 IonicContact CZ-OE1 2.77Å; R149-E152 IonicContact CZ-OE2 3.7Å; R149-E152 IonicContact NE-OE1 3.06Å; R149-E152 PolarHBondContact NE-OE1 2.98Å; R149-E152 IonicContact NE-OE2 3.22Å; R149-E152 IonicContact NH2-OE1 3.44Å; R149-E152 PolarHBondContact NH2-OE1 3.15Å; R149-E152 IonicContact NH2-OE2 3.67Å; R149-E152 PolarHBondContact NH2-OE2 2.7Å; R149-E152 WeakPolarHBondContact O-CB 3.44Å; R149-E152 PolarHBondContact O-N 3.07Å; S150-E152 VanDerWaalsContact C-N 3.26Å
153Y97.2Very high97.2Very high30 Ų3037.1 Ų37.112%0.11818%0.176CC..SBendtrans-146.7178176.860.2-84.7000111I90 A93 L97 T146 L155I90-Y153 HydrophobicContact CG1-CE2 4.41Å; A93-Y153 HydrophobicContact CB-CD1 3.54Å; A93-Y153 HydrophobicContact CB-CD2 3.73Å; A93-Y153 HydrophobicContact CB-CE1 3.67Å; A93-Y153 HydrophobicContact CB-CE2 3.87Å; A93-Y153 HydrophobicContact CB-CG 3.58Å; L97-Y153 HydrophobicContact CD2-CD1 4.2Å; T146-Y153 HydrophobicContact CG2-CE1 4.08Å; T146-Y153 VanDerWaalsContact O-CE1 3.27Å; T146-Y153 WeakPolarHBondContact O-CE1 3.26Å; T146-Y153 PolarHBondContact O-OH 2.91Å; Y153-L155 HydrophobicContact CD2-CB 4.33Å; Y153-L155 HydrophobicContact CE2-CB 3.91Å; Y153-L155 HydrophobicContact CE2-CD1 4.41Å; Y153-L155 HydrophobicContact CE2-CD2 4.45Å; Y153-L155 HydrophobicContact CE2-CG 4.49Å; Y153-L155 PolarHBondContact O-N 2.98Å
154Q96.5Very high97.2Very high49 Ų4941.5 Ų41.523%0.22920%0.199CC..  trans-90.299.1-176.8-62.9-65.2-35.700110.8V240 R242Q154-V240 PolarHBondContact NE2-O 2.88Å; Q154-R242 HydrophobicContact CG-CB 4.48Å; Q154-R242 HydrophobicContact CG-CG 4.45Å
155L97.4Very high97.2Very high9 Ų940.3 Ų40.35%0.04719%0.193CC..  trans-115142.1172.9-170.762.8000111.2A86 I90 F147 Y153 A159A86-L155 HydrophobicContact CB-CD1 4.34Å; I90-L155 HydrophobicContact CD1-CD1 4.12Å; I90-L155 HydrophobicContact CD1-CD2 4.08Å; I90-L155 HydrophobicContact CG1-CD1 3.75Å; I90-L155 HydrophobicContact CG1-CD2 3.98Å; F147-L155 HydrophobicContact CD2-CD2 3.55Å; F147-L155 HydrophobicContact CE2-CD2 3.75Å; Y153-L155 HydrophobicContact CD2-CB 4.33Å; Y153-L155 HydrophobicContact CE2-CB 3.91Å; Y153-L155 HydrophobicContact CE2-CD1 4.41Å; Y153-L155 HydrophobicContact CE2-CD2 4.45Å; Y153-L155 HydrophobicContact CE2-CG 4.49Å; Y153-L155 PolarHBondContact O-N 2.98Å; L155-A159 HydrophobicContact CD1-CB 3.78Å; L155-A159 HydrophobicContact CD2-CB 3.86Å; L155-A159 HydrophobicContact CG-CB 3.78Å
156I95.2Very high97.2Very high21 Ų2135.8 Ų35.811%0.10817%0.172CC..  trans-77.7140.7175.260.6179.9000110.9N82 A86 C158 A159N82-I156 HydrophobicContact CB-CD1 3.88Å; N82-I156 WeakPolarHBondContact O-CD1 3.37Å; A86-I156 HydrophobicContact CB-CD1 4.34Å; A86-I156 HydrophobicContact CB-CG1 4.32Å; I156-C158 PolarHBondContact O-N 3.48Å; I156-C158 VanDerWaalsContact O-N 3.11Å; I156-A159 HydrophobicContact CG1-CB 4.36Å; I156-A159 WeakPolarHBondContact O-CB 3.44Å; I156-A159 PolarHBondContact O-N 2.87Å
157D94Very high97.2Very high57 Ų5740.8 Ų40.831%0.30520%0.198SC..THydrogen-bonded Turntrans-61.9-25.3-174.3-55.6-52.8000114.2A159 K277 L280D157-A159 VanDerWaalsContact C-N 3.26Å; D157-A159 PolarHBondContact O-N 3.33Å; D157-K277 IonicContact OD1-NZ 3.14Å; D157-K277 IonicContact OD2-NZ 3.67Å; D157-K277 PolarHBondContact OD2-NZ 3.09Å; D157-L280 HydrophobicContact CB-CD1 4.02Å
158C96.7Very high97.2Very high6 Ų644.3 Ų44.34%0.04122%0.215CC..THydrogen-bonded Turntrans-83.12179.260.50000114I156 K160 Y161 F162 R183I156-C158 PolarHBondContact O-N 3.48Å; I156-C158 VanDerWaalsContact O-N 3.11Å; C158-K160 PolarHBondContact O-N 3.02Å; C158-Y161 PolarHBondContact O-N 3.19Å; C158-F162 HydrophobicContact CB-CD2 3.86Å; C158-F162 HydrophobicContact CB-CE2 3.74Å; C158-F162 WeakPolarHBondContact O-CD2 3.44Å; C158-F162 PolarHBondContact O-N 3.48Å; C158-F162 VanDerWaalsContact O-N 3.09Å; C158-R183 HydrophobicContact CB-CB 4.29Å; C158-R183 WeakPolarHBondContact CB-O 3.34Å; C158-R183 PolarHBondContact SG-O 3.18Å
159A98.3Very high97.3Very high1 Ų140.4 Ų40.41%0.00820%0.197CC..Hα-helixtrans-51.2-59.5-178.900000112.1A86 L155 I156 D157 Y161 F162 L163A86-A159 HydrophobicContact CB-CB 3.62Å; L155-A159 HydrophobicContact CD1-CB 3.78Å; L155-A159 HydrophobicContact CD2-CB 3.86Å; L155-A159 HydrophobicContact CG-CB 3.78Å; I156-A159 HydrophobicContact CG1-CB 4.36Å; I156-A159 WeakPolarHBondContact O-CB 3.44Å; I156-A159 PolarHBondContact O-N 2.87Å; D157-A159 VanDerWaalsContact C-N 3.26Å; D157-A159 PolarHBondContact O-N 3.33Å; A159-Y161 VanDerWaalsContact C-N 3.32Å; A159-Y161 PolarHBondContact O-N 3.11Å; A159-F162 PolarHBondContact O-N 2.95Å; A159-L163 HydrophobicContact CB-CD1 4.43Å; A159-L163 VanDerWaalsContact O-CB 3.32Å; A159-L163 WeakPolarHBondContact O-CB 3.18Å; A159-L163 WeakPolarHBondContact O-CD1 3.38Å; A159-L163 WeakPolarHBondContact O-CG 3.31Å; A159-L163 PolarHBondContact O-N 2.85Å
160K98.1Very high97.4Very high86 Ų8639.5 Ų39.537%0.37420%0.198SC..Hα-helixtrans-56.9-45.8178.8175.7171.3-172.8-53.80112W138 F147 C158 F162 L163 D164W138-K160 HydrophobicContact CZ2-CB 4.23Å; W138-K160 HydrophobicContact CZ2-CG 4.12Å; F147-K160 HydrophobicContact CE1-CB 4.39Å; F147-K160 HydrophobicContact CE1-CD 4.11Å; F147-K160 HydrophobicContact CE2-CB 4.04Å; F147-K160 HydrophobicContact CZ-CB 3.66Å; F147-K160 HydrophobicContact CZ-CD 4.06Å; F147-K160 HydrophobicContact CZ-CG 4.37Å; C158-K160 PolarHBondContact O-N 3.02Å; K160-F162 PolarHBondContact O-N 2.97Å; K160-L163 PolarHBondContact O-N 2.74Å; K160-D164 WeakPolarHBondContact CG-OD2 3.18Å; K160-D164 IonicContact NZ-OD2 2.71Å; K160-D164 PolarHBondContact NZ-OD2 2.99Å; K160-D164 VanDerWaalsContact O-CB 3.3Å; K160-D164 WeakPolarHBondContact O-CB 3.33Å; K160-D164 PolarHBondContact O-N 3.03Å
161Y98.4Very high97.4Very high55 Ų5539.2 Ų39.222%0.21620%0.198CC..Hα-helixtrans-56.1-46.7-178.4178.1-98.2000112.4C158 A159 K165 Q179 D180 R183C158-Y161 PolarHBondContact O-N 3.19Å; A159-Y161 VanDerWaalsContact C-N 3.32Å; A159-Y161 PolarHBondContact O-N 3.11Å; Y161-K165 HydrophobicContact CE1-CD 4.18Å; Y161-K165 WeakPolarHBondContact O-CG 3.45Å; Y161-Q179 HydrophobicContact CE2-CG 4Å; Y161-Q179 WeakPolarHBondContact OH-CG 3.36Å; Y161-D180 VanDerWaalsContact CE1-OD1 3.28Å; Y161-D180 WeakPolarHBondContact CE1-OD1 3.49Å; Y161-D180 PolarHBondContact OH-OD1 3.11Å; Y161-R183 HydrophobicContact CD1-CB 3.76Å; Y161-R183 HydrophobicContact CD1-CG 3.91Å; Y161-R183 HydrophobicContact CD2-CG 4.34Å; Y161-R183 HydrophobicContact CE1-CB 3.95Å; Y161-R183 HydrophobicContact CE1-CG 4.01Å; Y161-R183 HydrophobicContact CE2-CG 4.44Å; Y161-R183 HydrophobicContact CG-CB 4.34Å; Y161-R183 HydrophobicContact CG-CG 4.09Å
162F98.7Very high97.4Very high0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-81.7-31.4-179.8-68.8-57.8000113.6I79 N82 L83 C158 A159 K160 K165 A166 V169 D180 R183 C184I79-F162 HydrophobicContact CB-CE1 4.42Å; I79-F162 HydrophobicContact CG1-CE1 4.21Å; I79-F162 HydrophobicContact CG1-CZ 4.04Å; I79-F162 HydrophobicContact CG2-CD1 3.74Å; I79-F162 HydrophobicContact CG2-CE1 3.49Å; I79-F162 VanDerWaalsContact CG2-CE1 3.49Å; I79-F162 HydrophobicContact CG2-CG 4.44Å; I79-F162 HydrophobicContact CG2-CZ 3.99Å; N82-F162 HydrophobicContact CB-CD2 4.15Å; N82-F162 HydrophobicContact CB-CE2 4.25Å; L83-F162 HydrophobicContact CB-CB 4.21Å; L83-F162 HydrophobicContact CD1-CB 4.46Å; C158-F162 HydrophobicContact CB-CD2 3.86Å; C158-F162 HydrophobicContact CB-CE2 3.74Å; C158-F162 WeakPolarHBondContact O-CD2 3.44Å; C158-F162 PolarHBondContact O-N 3.48Å; C158-F162 VanDerWaalsContact O-N 3.09Å; A159-F162 PolarHBondContact O-N 2.95Å; K160-F162 PolarHBondContact O-N 2.97Å; F162-K165 CarbonylContact O-C 3.39Å; F162-K165 PolarHBondContact O-N 3.14Å; F162-A166 PolarHBondContact O-N 3.35Å; F162-A166 VanDerWaalsContact O-N 3.12Å; F162-V169 HydrophobicContact CD1-CG2 4.25Å; F162-D180 HydrophobicContact CE1-CB 4.22Å; F162-R183 HydrophobicContact CE2-CB 4.41Å; F162-R183 HydrophobicContact CZ-CB 4.21Å; F162-C184 HydrophobicContact CZ-CB 4.32Å
163L98.7Very high97.4Very high2 Ų245.1 Ų45.11%0.0124%0.239CC..Hα-helixtrans-69-37.1176.7-68.9169000112.1L83 A86 I87 I90 W138 A159 K160 K165 A166L83-L163 HydrophobicContact CD2-CD2 4.43Å; L83-L163 HydrophobicContact CG-CD2 4.19Å; A86-L163 HydrophobicContact CB-CD1 4.26Å; I87-L163 HydrophobicContact CB-CD2 3.92Å; I87-L163 HydrophobicContact CD1-CD2 4.24Å; I87-L163 HydrophobicContact CG1-CD2 4.47Å; I90-L163 HydrophobicContact CD1-CD1 3.68Å; W138-L163 HydrophobicContact CD2-CB 3.63Å; W138-L163 HydrophobicContact CD2-CD1 4Å; W138-L163 HydrophobicContact CD2-CG 4.35Å; W138-L163 HydrophobicContact CE3-CB 4.19Å; W138-L163 HydrophobicContact CE3-CD1 3.63Å; W138-L163 HydrophobicContact CE3-CG 4.45Å; W138-L163 HydrophobicContact CG-CB 3.79Å; W138-L163 HydrophobicContact CH2-CD1 4.19Å; W138-L163 HydrophobicContact CZ2-CB 4.26Å; W138-L163 HydrophobicContact CZ2-CD1 4.49Å; W138-L163 HydrophobicContact CZ3-CD1 3.76Å; A159-L163 HydrophobicContact CB-CD1 4.43Å; A159-L163 VanDerWaalsContact O-CB 3.32Å; A159-L163 WeakPolarHBondContact O-CB 3.18Å; A159-L163 WeakPolarHBondContact O-CD1 3.38Å; A159-L163 WeakPolarHBondContact O-CG 3.31Å; A159-L163 PolarHBondContact O-N 2.85Å; K160-L163 PolarHBondContact O-N 2.74Å; L163-K165 PolarHBondContact O-N 2.92Å; L163-A166 WeakPolarHBondContact O-CB 3.47Å; L163-A166 PolarHBondContact O-N 2.91Å
164D98.6Very high97.5Very high91 Ų9144.3 Ų44.349%0.48724%0.236SC..Hα-helixtrans-59.3-27.9174.6-75.2-14.1000112.2W138 K160W138-D164 PolarHBondContact NE1-OD1 3.25Å; K160-D164 WeakPolarHBondContact CG-OD2 3.18Å; K160-D164 IonicContact NZ-OD2 2.71Å; K160-D164 PolarHBondContact NZ-OD2 2.99Å; K160-D164 VanDerWaalsContact O-CB 3.3Å; K160-D164 WeakPolarHBondContact O-CB 3.33Å; K160-D164 PolarHBondContact O-N 3.03Å
165K98.1Very high97.5Very high32 Ų3245.6 Ų45.614%0.13924%0.244CC..THydrogen-bonded Turntrans-11728.2-179.965.8-179.5-74.6170.90113.8Y161 F162 L163 L167 E168 V169 D180Y161-K165 HydrophobicContact CE1-CD 4.18Å; Y161-K165 WeakPolarHBondContact O-CG 3.45Å; F162-K165 CarbonylContact O-C 3.39Å; F162-K165 PolarHBondContact O-N 3.14Å; L163-K165 PolarHBondContact O-N 2.92Å; K165-L167 VanDerWaalsContact C-N 3.26Å; K165-L167 PolarHBondContact O-N 3.06Å; K165-L167 VanDerWaalsContact O-N 3.14Å; K165-E168 HydrophobicContact CB-CB 4.25Å; K165-E168 WeakPolarHBondContact CE-OE1 3.23Å; K165-E168 VanDerWaalsContact CE-OE2 3.28Å; K165-E168 WeakPolarHBondContact CE-OE2 3.27Å; K165-E168 IonicContact NZ-OE1 3.92Å; K165-E168 PolarHBondContact NZ-OE1 3.09Å; K165-E168 IonicContact NZ-OE2 2.73Å; K165-E168 PolarHBondContact NZ-OE2 3.5Å; K165-E168 WeakPolarHBondContact O-CB 3.46Å; K165-E168 PolarHBondContact O-N 3.11Å; K165-V169 HydrophobicContact CD-CG2 4.41Å; K165-V169 HydrophobicContact CG-CG2 4.07Å; K165-V169 PolarHBondContact O-N 2.89Å; K165-V169 VanDerWaalsContact O-N 3.15Å; K165-D180 WeakPolarHBondContact CE-OD1 3.43Å; K165-D180 IonicContact NZ-OD1 2.79Å; K165-D180 PolarHBondContact NZ-OD1 3.25Å; K165-D180 IonicContact NZ-OD2 3.17Å; K165-D180 PolarHBondContact NZ-OD2 2.74Å; K165-D180 VanDerWaalsContact NZ-OD2 3.16Å
166A98.6Very high97.5Very high2 Ų245.2 Ų45.22%0.01724%0.242CC..Hα-helixtrans-54.3-39.6-172.300000114.1L83 F131 C134 A135 F162 L163 V169 G170L83-A166 HydrophobicContact CD1-CB 3.84Å; F131-A166 WeakPolarHBondContact CD1-O 2.98Å; C134-A166 HydrophobicContact CB-CB 4.13Å; A135-A166 HydrophobicContact CB-CB 4.26Å; F162-A166 PolarHBondContact O-N 3.35Å; F162-A166 VanDerWaalsContact O-N 3.12Å; L163-A166 WeakPolarHBondContact O-CB 3.47Å; L163-A166 PolarHBondContact O-N 2.91Å; A166-V169 PolarHBondContact O-N 3.18Å; A166-G170 PolarHBondContact O-N 3.37Å
167L98.4Very high97.6Very high105 Ų10546.4 Ų46.455%0.5525%0.252SS..Hα-helixtrans-66.8-36.2177.8-62.9178.9000112.9A135 K165 G170 A171A135-L167 HydrophobicContact CB-CD1 4.39Å; A135-L167 HydrophobicContact CB-CD2 3.91Å; A135-L167 HydrophobicContact CB-CG 3.84Å; K165-L167 VanDerWaalsContact C-N 3.26Å; K165-L167 PolarHBondContact O-N 3.06Å; K165-L167 VanDerWaalsContact O-N 3.14Å; L167-G170 PolarHBondContact O-N 3.08Å; L167-A171 PolarHBondContact O-N 2.95Å
168E98.3Very high97.8Very high98 Ų9847.4 Ų47.446%0.45826%0.255SS..Hα-helixtrans-66.3-45176.9-170.9-164.2133.500110.6K165 G170 A171 Y174K165-E168 HydrophobicContact CB-CB 4.25Å; K165-E168 WeakPolarHBondContact CE-OE1 3.23Å; K165-E168 VanDerWaalsContact CE-OE2 3.28Å; K165-E168 WeakPolarHBondContact CE-OE2 3.27Å; K165-E168 IonicContact NZ-OE1 3.92Å; K165-E168 PolarHBondContact NZ-OE1 3.09Å; K165-E168 IonicContact NZ-OE2 2.73Å; K165-E168 PolarHBondContact NZ-OE2 3.5Å; K165-E168 WeakPolarHBondContact O-CB 3.46Å; K165-E168 PolarHBondContact O-N 3.11Å; E168-G170 PolarHBondContact O-N 3.33Å; E168-A171 VanDerWaalsContact O-CB 3.28Å; E168-A171 WeakPolarHBondContact O-CB 3.45Å; E168-A171 PolarHBondContact O-N 2.97Å; E168-A171 VanDerWaalsContact O-N 3.09Å; E168-Y174 HydrophobicContact CG-CD2 4.23Å; E168-Y174 HydrophobicContact CG-CE2 4.41Å; E168-Y174 WeakPolarHBondContact O-CB 3.48Å; E168-Y174 WeakPolarHBondContact O-CD2 3.49Å
169V98.3Very high97.8Very high0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-63.3-30.7176.9174.60000112I79 R80 L83 F131 F162 K165 A166 A171 Y174I79-V169 HydrophobicContact CG2-CG1 3.84Å; I79-V169 HydrophobicContact CG2-CG2 4.21Å; R80-V169 HydrophobicContact CG-CG1 3.89Å; R80-V169 PolarHBondContact NE-O 3.07Å; L83-V169 HydrophobicContact CD1-CB 4.12Å; L83-V169 HydrophobicContact CD1-CG1 4.09Å; L83-V169 HydrophobicContact CD1-CG2 4.47Å; F131-V169 HydrophobicContact CE1-CG1 4.01Å; F162-V169 HydrophobicContact CD1-CG2 4.25Å; K165-V169 HydrophobicContact CD-CG2 4.41Å; K165-V169 HydrophobicContact CG-CG2 4.07Å; K165-V169 PolarHBondContact O-N 2.89Å; K165-V169 VanDerWaalsContact O-N 3.15Å; A166-V169 PolarHBondContact O-N 3.18Å; V169-A171 VanDerWaalsContact C-N 3.34Å; V169-Y174 HydrophobicContact CG1-CE1 4.32Å; V169-Y174 HydrophobicContact CG2-CE1 4.39Å; V169-Y174 HydrophobicContact CG2-CE2 4.44Å
170G97.8Very high97.8Very high15 Ų1550 Ų5016%0.15527%0.266CS..THydrogen-bonded Turntrans-78.7-12.117600000115.1F131 A166 L167 E168F131-G170 VanDerWaalsContact CD1-CA 3.47Å; A166-G170 PolarHBondContact O-N 3.37Å; L167-G170 PolarHBondContact O-N 3.08Å; E168-G170 PolarHBondContact O-N 3.33Å
171A97.9Very high97.8Very high26 Ų2646 Ų4622%0.21525%0.249CC..SBendtrans-65.2140.9-176.900000111.3L167 E168 V169 N173 Y174L167-A171 PolarHBondContact O-N 2.95Å; E168-A171 VanDerWaalsContact O-CB 3.28Å; E168-A171 WeakPolarHBondContact O-CB 3.45Å; E168-A171 PolarHBondContact O-N 2.97Å; E168-A171 VanDerWaalsContact O-N 3.09Å; V169-A171 VanDerWaalsContact C-N 3.34Å; A171-N173 PolarHBondContact O-N 3.16Å; A171-Y174 VanDerWaalsContact O-CB 3.23Å; A171-Y174 WeakPolarHBondContact O-CB 3.45Å; A171-Y174 PolarHBondContact O-N 2.7Å; A171-Y174 VanDerWaalsContact O-N 3.1Å
172P95.5Very high97.8Very high133 Ų13343.5 Ų43.586%0.86424%0.239SC*.THydrogen-bonded Turntrans-64.7-26.1-178.425.3-34.4000113
173N95.6Very high97.8Very high129 Ų12946.2 Ų46.269%0.6925%0.25SC*.THydrogen-bonded Turntrans-100.716.2177.565.9-35.6000113.1A171 I175A171-N173 PolarHBondContact O-N 3.16Å; N173-I175 PolarHBondContact O-N 2.6Å
174Y97.6Very high97.7Very high13 Ų1346.3 Ų46.35%0.05125%0.251CS..  trans-59.5127.2178.2176.7-118.7000111.3I76 I79 E168 V169 A171 P176 D180I76-Y174 WeakPolarHBondContact CD1-O 3.48Å; I76-Y174 HydrophobicContact CG1-CD1 4.34Å; I79-Y174 HydrophobicContact CD1-CE1 4.42Å; I79-Y174 HydrophobicContact CG2-CE1 4.22Å; E168-Y174 HydrophobicContact CG-CD2 4.23Å; E168-Y174 HydrophobicContact CG-CE2 4.41Å; E168-Y174 WeakPolarHBondContact O-CB 3.48Å; E168-Y174 WeakPolarHBondContact O-CD2 3.49Å; V169-Y174 HydrophobicContact CG1-CE1 4.32Å; V169-Y174 HydrophobicContact CG2-CE1 4.39Å; V169-Y174 HydrophobicContact CG2-CE2 4.44Å; A171-Y174 VanDerWaalsContact O-CB 3.23Å; A171-Y174 WeakPolarHBondContact O-CB 3.45Å; A171-Y174 PolarHBondContact O-N 2.7Å; A171-Y174 VanDerWaalsContact O-N 3.1Å; Y174-P176 HydrophobicContact CD1-CG 4.48Å; Y174-P176 HydrophobicContact CE1-CG 3.79Å; Y174-D180 WeakPolarHBondContact OH-CB 3.42Å; Y174-D180 PolarHBondContact OH-OD1 2.68Å; Y174-D180 PolarHBondContact OH-OD2 2.82Å
175I96.9Very high97.6Very high77 Ų7744.6 Ų44.640%0.39524%0.238SC..  trans-123.5121.1172-63.5176.1000107.3E69 K72 N173 S177E69-I175 VanDerWaalsContact OE2-CG2 3.29Å; E69-I175 WeakPolarHBondContact OE2-CG2 3.42Å; K72-I175 HydrophobicContact CB-CG2 4.26Å; K72-I175 HydrophobicContact CD-CG2 4.21Å; N173-I175 PolarHBondContact O-N 2.6Å; I175-S177 PolarHBondContact O-N 3.3Å
176P98.3Very high97.5Very high1 Ų146.5 Ų46.51%0.00625%0.252CS..  trans-58.4129.6178.6-30.539.5000112.9K72 I76 I79 Y174 D180 I181K72-P176 HydrophobicContact CB-CB 4.49Å; K72-P176 WeakPolarHBondContact CD-O 3.35Å; K72-P176 WeakPolarHBondContact CG-O 3.38Å; K72-P176 WeakPolarHBondContact O-CD 3.41Å; K72-P176 VanDerWaalsContact O-CG 3.28Å; K72-P176 WeakPolarHBondContact O-CG 3.42Å; I76-P176 HydrophobicContact CG1-CG 3.75Å; I79-P176 HydrophobicContact CD1-CB 3.59Å; I79-P176 HydrophobicContact CD1-CG 3.46Å; I79-P176 VanDerWaalsContact CD1-CG 3.46Å; Y174-P176 HydrophobicContact CD1-CG 4.48Å; Y174-P176 HydrophobicContact CE1-CG 3.79Å; P176-D180 HydrophobicContact CB-CB 3.95Å; P176-I181 HydrophobicContact CB-CG1 4.31Å
177S97.7Very high97.3Very high46 Ų4651.5 Ų51.532%0.32228%0.277SS..  trans-70.4167.3166.965.50000111.1I175 Q179 D180 I181I175-S177 PolarHBondContact O-N 3.3Å; S177-Q179 PolarHBondContact O-N 3.39Å; S177-Q179 PolarHBondContact OG-N 3.26Å; S177-D180 WeakPolarHBondContact CB-OD2 3.32Å; S177-D180 PolarHBondContact N-OD2 2.87Å; S177-D180 WeakPolarHBondContact O-CB 3.41Å; S177-D180 PolarHBondContact O-N 2.8Å; S177-D180 VanDerWaalsContact O-N 3.15Å; S177-D180 PolarHBondContact OG-N 3.43Å; S177-D180 VanDerWaalsContact OG-N 3.07Å; S177-D180 PolarHBondContact OG-OD2 3.22Å; S177-I181 PolarHBondContact O-N 2.99Å
178E97.2Very high97.1Very high78 Ų7847.3 Ų47.336%0.36426%0.256SS..Hα-helixtrans-58.9-34.2170.7-64.9-172145.600111.6I61 I181 L182I61-E178 HydrophobicContact CD1-CB 4.13Å; E178-I181 PolarHBondContact O-N 2.91Å; E178-L182 VanDerWaalsContact O-CG 3.31Å; E178-L182 WeakPolarHBondContact O-CG 3.39Å; E178-L182 PolarHBondContact O-N 3.03Å
179Q97.7Very high96.9Very high60 Ų6046 Ų4628%0.2826%0.258SS..Hα-helixtrans-68.6-37.1176.9-168.763.2-5.800112.3Y161 S177 I181 L182 R183 V352Y161-Q179 HydrophobicContact CE2-CG 4Å; Y161-Q179 WeakPolarHBondContact OH-CG 3.36Å; S177-Q179 PolarHBondContact O-N 3.39Å; S177-Q179 PolarHBondContact OG-N 3.26Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 3.41Å; Q179-L182 PolarHBondContact O-N 3.11Å; Q179-R183 HydrophobicContact CG-CG 4.37Å; Q179-R183 WeakPolarHBondContact O-CB 3.49Å; Q179-R183 WeakPolarHBondContact O-CG 3.49Å; Q179-R183 PolarHBondContact O-N 3.02Å; Q179-V352 PolarHBondContact NE2-O 3.38Å; Q179-V352 PolarHBondContact OE1-O 2.87Å
180D98.3Very high96.7Very high0 Ų046.8 Ų46.80%027%0.266CS..Hα-helixtrans-61.5-42.6171.1-63.6-53.4000110.7I79 Y161 F162 K165 Y174 P176 S177 R183 C184I79-D180 HydrophobicContact CD1-CB 3.97Å; Y161-D180 VanDerWaalsContact CE1-OD1 3.28Å; Y161-D180 WeakPolarHBondContact CE1-OD1 3.49Å; Y161-D180 PolarHBondContact OH-OD1 3.11Å; F162-D180 HydrophobicContact CE1-CB 4.22Å; K165-D180 WeakPolarHBondContact CE-OD1 3.43Å; K165-D180 IonicContact NZ-OD1 2.79Å; K165-D180 PolarHBondContact NZ-OD1 3.25Å; K165-D180 IonicContact NZ-OD2 3.17Å; K165-D180 PolarHBondContact NZ-OD2 2.74Å; K165-D180 VanDerWaalsContact NZ-OD2 3.16Å; Y174-D180 WeakPolarHBondContact OH-CB 3.42Å; Y174-D180 PolarHBondContact OH-OD1 2.68Å; Y174-D180 PolarHBondContact OH-OD2 2.82Å; P176-D180 HydrophobicContact CB-CB 3.95Å; S177-D180 WeakPolarHBondContact CB-OD2 3.32Å; S177-D180 PolarHBondContact N-OD2 2.87Å; S177-D180 WeakPolarHBondContact O-CB 3.41Å; S177-D180 PolarHBondContact O-N 2.8Å; S177-D180 VanDerWaalsContact O-N 3.15Å; S177-D180 PolarHBondContact OG-N 3.43Å; S177-D180 VanDerWaalsContact OG-N 3.07Å; S177-D180 PolarHBondContact OG-OD2 3.22Å; D180-R183 PolarHBondContact O-N 3.47Å; D180-C184 WeakPolarHBondContact O-CB 3.42Å; D180-C184 PolarHBondContact O-N 3.29Å
181I98.1Very high96.6Very high2 Ų248.5 Ų48.51%0.0127%0.271CS..Hα-helixtrans-64.2-43.7177.1-67.4173.4000111.3K57 F67 K72 K75 P176 S177 E178 Q179 R183 C184K57-I181 HydrophobicContact CD-CG2 4.1Å; K57-I181 PolarHBondContact NZ-O 3.35Å; F67-I181 HydrophobicContact CB-CD1 3.72Å; F67-I181 HydrophobicContact CD1-CD1 4.22Å; F67-I181 HydrophobicContact CD1-CG2 4.33Å; F67-I181 HydrophobicContact CD2-CB 4.46Å; F67-I181 HydrophobicContact CD2-CD1 3.72Å; F67-I181 HydrophobicContact CD2-CG2 4.04Å; F67-I181 HydrophobicContact CE1-CG2 3.97Å; F67-I181 HydrophobicContact CE2-CB 4.37Å; F67-I181 HydrophobicContact CE2-CD1 4.41Å; F67-I181 HydrophobicContact CE2-CG2 3.64Å; F67-I181 HydrophobicContact CG-CD1 3.62Å; F67-I181 HydrophobicContact CG-CG2 4.38Å; F67-I181 HydrophobicContact CZ-CG2 3.62Å; K72-I181 HydrophobicContact CB-CD1 4.37Å; K72-I181 HydrophobicContact CG-CD1 3.58Å; K75-I181 HydrophobicContact CG-CG1 4.36Å; P176-I181 HydrophobicContact CB-CG1 4.31Å; S177-I181 PolarHBondContact O-N 2.99Å; E178-I181 PolarHBondContact O-N 2.91Å; Q179-I181 VanDerWaalsContact C-N 3.31Å; Q179-I181 PolarHBondContact O-N 3.41Å; I181-R183 VanDerWaalsContact C-N 3.35Å; I181-C184 PolarHBondContact O-N 3.02Å
182L98Very high96.5Very high3 Ų352.5 Ų52.52%0.01628%0.284CS..Hα-helixtrans-63.1-40.6178.5-73.5170.1000111.9T54 K57 Q58 I61 E178 Q179T54-L182 HydrophobicContact CG2-CB 4.33Å; T54-L182 HydrophobicContact CG2-CD2 3.82Å; K57-L182 HydrophobicContact CB-CD2 3.78Å; Q58-L182 HydrophobicContact CG-CD2 3.8Å; I61-L182 HydrophobicContact CD1-CD1 3.8Å; I61-L182 HydrophobicContact CD1-CD2 3.92Å; I61-L182 HydrophobicContact CD1-CG 3.9Å; E178-L182 VanDerWaalsContact O-CG 3.31Å; E178-L182 WeakPolarHBondContact O-CG 3.39Å; E178-L182 PolarHBondContact O-N 3.03Å; Q179-L182 PolarHBondContact O-N 3.11Å
183R97.9Very high96.6Very high57 Ų5751.5 Ų51.522%0.21527%0.268CS..Hα-helixtrans-81.8-22.3-179.7-65.6-80.7179.8159.7-3.5113.3C158 Y161 F162 Q179 D180 I181 R185 D279 V352C158-R183 HydrophobicContact CB-CB 4.29Å; C158-R183 WeakPolarHBondContact CB-O 3.34Å; C158-R183 PolarHBondContact SG-O 3.18Å; Y161-R183 HydrophobicContact CD1-CB 3.76Å; Y161-R183 HydrophobicContact CD1-CG 3.91Å; Y161-R183 HydrophobicContact CD2-CG 4.34Å; Y161-R183 HydrophobicContact CE1-CB 3.95Å; Y161-R183 HydrophobicContact CE1-CG 4.01Å; Y161-R183 HydrophobicContact CE2-CG 4.44Å; Y161-R183 HydrophobicContact CG-CB 4.34Å; Y161-R183 HydrophobicContact CG-CG 4.09Å; F162-R183 HydrophobicContact CE2-CB 4.41Å; F162-R183 HydrophobicContact CZ-CB 4.21Å; Q179-R183 HydrophobicContact CG-CG 4.37Å; Q179-R183 WeakPolarHBondContact O-CB 3.49Å; Q179-R183 WeakPolarHBondContact O-CG 3.49Å; Q179-R183 PolarHBondContact O-N 3.02Å; D180-R183 PolarHBondContact O-N 3.47Å; I181-R183 VanDerWaalsContact C-N 3.35Å; R183-R185 PolarHBondContact O-N 2.78Å; R183-D279 IonicContact NH1-OD2 3.99Å; R183-D279 IonicContact NH2-OD2 2.66Å; R183-D279 PolarHBondContact NH2-OD2 3.39Å; R183-V352 HydrophobicContact CG-CG1 4.45Å; R183-V352 VanDerWaalsContact NH2-CG2 3.25Å
184C98Very high96.6Very high5 Ų546.4 Ų46.43%0.03424%0.241CC..  trans-62.2124.8177.9177.70000111.4K57 I79 N82 F162 D180 I181K57-C184 PolarHBondContact NZ-O 3.4Å; I79-C184 HydrophobicContact CG1-CB 3.86Å; N82-C184 PolarHBondContact OD1-SG 3.36Å; N82-C184 VanDerWaalsContact OD1-SG 3.4Å; F162-C184 HydrophobicContact CZ-CB 4.32Å; D180-C184 WeakPolarHBondContact O-CB 3.42Å; D180-C184 PolarHBondContact O-N 3.29Å; I181-C184 PolarHBondContact O-N 3.02Å
185R96.1Very high96.5Very high55 Ų5552.4 Ų52.421%0.20827%0.268CS..  trans-96.3115.3179.6-179.362.8179.4143.80.1110E49 N82 R183E49-R185 IonicContact OE1-NE 3.73Å; E49-R185 IonicContact OE1-NH2 2.77Å; N82-R185 PolarHBondContact ND2-O 3.2Å; N82-R185 PolarHBondContact OD1-N 3.37Å; N82-R185 PolarHBondContact OD1-O 3.3Å; R183-R185 PolarHBondContact O-N 2.78Å
186V95.5Very high96.5Very high72 Ų7249.4 Ų49.444%0.43625%0.252SS..  trans-118.5135.6164.3-178.60000107.6A78 T188A78-V186 HydrophobicContact CB-CG2 4.12Å; V186-T188 PolarHBondContact O-N 2.89Å
187L94.8Very high96.2Very high106 Ų10652.5 Ų52.556%0.55527%0.274SS*.  trans-68.9116.9173.8-67.8163.6000108.2S189L187-S189 PolarHBondContact O-N 3.18Å
188T94.4Very high96Very high17 Ų1750.9 Ų50.910%0.10426%0.262CS..  trans-75.3114.3175.1-44.40000108.9S53 V186 F192 G209S53-T188 PolarHBondContact OG-OG1 3.16Å; V186-T188 PolarHBondContact O-N 2.89Å; T188-F192 HydrophobicContact CG2-CD2 3.61Å; T188-F192 HydrophobicContact CG2-CE2 3.62Å; T188-G209 VanDerWaalsContact O-CA 3.29Å; T188-G209 WeakPolarHBondContact O-CA 3.48Å
189S93.8Very high95.6Very high70 Ų7052.8 Ų52.849%0.4927%0.274SS..  trans-117.3129.5168.6-175.60000109L187 F192 E214 K217L187-S189 PolarHBondContact O-N 3.18Å; S189-F192 VanDerWaalsContact O-CE2 3.29Å; S189-F192 WeakPolarHBondContact O-CE2 3.28Å; S189-E214 WeakPolarHBondContact CA-OE2 3.28Å; S189-E214 PolarHBondContact OG-OE1 3.33Å; S189-E214 PolarHBondContact OG-OE2 3.14Å; S189-K217 PolarHBondContact OG-NZ 3.41Å
190G93.6Very high95.1Very high18 Ų1859.7 Ų59.719%0.18630%0.304CS..SBendtrans93.8-159.7-174.600000114.1G209 E214G190-G209 PolarHBondContact O-N 3.36Å; G190-E214 PolarHBondContact N-OE2 3.08Å
191I95.6Very high94.8Very high50 Ų5061.4 Ų61.426%0.25631%0.314SS..EExtended strand (participates in β ladder)trans-121.7125.4-175.1-58.6163.5000107.1F206 V208 K217 Q220 C221I191-F206 HydrophobicContact CG2-CD1 4.35Å; I191-V208 HydrophobicContact CB-CG1 4.33Å; I191-V208 HydrophobicContact CG1-CG1 3.89Å; I191-V208 HydrophobicContact CG2-CG1 4.15Å; I191-K217 HydrophobicContact CD1-CB 4.5Å; I191-Q220 HydrophobicContact CD1-CB 3.82Å; I191-Q220 HydrophobicContact CD1-CG 4.49Å; I191-Q220 VanDerWaalsContact CD1-OE1 3.3Å; I191-C221 VanDerWaalsContact CG2-SG 3.53Å
192F96.6Very high94.6Very high110 Ų11064.2 Ų64.248%0.48233%0.329SS..EExtended strand (participates in β ladder)trans-117.1133.5177.8-64.5-89.2000109.7T188 S189 F206 D207T188-F192 HydrophobicContact CG2-CD2 3.61Å; T188-F192 HydrophobicContact CG2-CE2 3.62Å; S189-F192 VanDerWaalsContact O-CE2 3.29Å; S189-F192 WeakPolarHBondContact O-CE2 3.28Å; F192-F206 WeakPolarHBondContact O-CA 3.48Å; F192-D207 HydrophobicContact CB-CB 4.49Å; F192-D207 PolarHBondContact N-O 3.42Å; F192-D207 PolarHBondContact O-N 3.48Å
193E96.3Very high94.5Very high112 Ų11264.2 Ų64.252%0.52333%0.329SS..EExtended strand (participates in β ladder)trans-104.6139179.9-69.7-179.6-156.600110.1H204 M205 F206E193-H204 IonicContact OE2-CE1 3.37Å; E193-H204 PolarHBondContact OE2-CE1 2.59Å; E193-H204 IonicContact OE2-NE2 3.82Å; E193-H204 PolarHBondContact OE2-NE2 2.86Å; E193-M205 CarbonylContact C-O 3.59Å; E193-M205 WeakPolarHBondContact CA-O 3.38Å; E193-F206 HydrophobicContact CG-CD1 3.76Å; E193-F206 HydrophobicContact CG-CE1 3.69Å
194T96.5Very high94.4Very high22 Ų2262.1 Ų62.114%0.13532%0.321CS..EExtended strand (participates in β ladder)trans-135.9125.8171.8-63.40000109V56 R60 I64 F196 M205V56-T194 HydrophobicContact CG1-CG2 4.23Å; V56-T194 VanDerWaalsContact CG1-OG1 3.28Å; V56-T194 WeakPolarHBondContact CG1-OG1 3.33Å; R60-T194 HydrophobicContact CG-CG2 4.4Å; I64-T194 HydrophobicContact CD1-CG2 3.7Å; T194-F196 HydrophobicContact CG2-CD1 4.36Å; T194-M205 PolarHBondContact N-O 3.46Å; T194-M205 PolarHBondContact O-N 3.37Å
195K96.3Very high94.4Very high140 Ų14061.9 Ų61.961%0.60932%0.32SS*.EExtended strand (participates in β ladder)trans-112.9132.2-178.8-64.9173.8-174.5170.70108.8I64 F203 H204I64-K195 WeakPolarHBondContact CD1-O 3.34Å; K195-F203 WeakPolarHBondContact CA-O 3.49Å; K195-H204 VanDerWaalsContact CE-CE1 3.45Å; K195-H204 WeakPolarHBondContact CE-CE1 3.18Å; K195-H204 VanDerWaalsContact CE-NE2 3.28Å; K195-H204 WeakPolarHBondContact CE-NE2 3.38Å; K195-H204 HydrophobicContact CG-CB 4.48Å; K195-H204 VanDerWaalsContact CG-CD2 3.49Å; K195-H204 WeakPolarHBondContact CG-CD2 3.19Å
196F95.7Very high94.5Very high13 Ų1359.6 Ų59.66%0.05731%0.312CS..EExtended strand (participates in β ladder)trans-151.6165.1178.960.2-82.9000110.3M59 H63 I64 T194 V198 F203 M205 F361M59-F196 HydrophobicContact CB-CD1 4.22Å; M59-F196 HydrophobicContact CB-CE1 3.94Å; M59-F196 HydrophobicContact CB-CZ 4.15Å; M59-F196 HydrophobicContact CG-CE1 3.89Å; M59-F196 HydrophobicContact CG-CE2 4.45Å; M59-F196 HydrophobicContact CG-CZ 3.78Å; M59-F196 HydrophobicContact SD-CE1 4.33Å; M59-F196 HydrophobicContact SD-CE2 3.88Å; M59-F196 HydrophobicContact SD-CZ 3.6Å; H63-F196 HydrophobicContact CB-CB 4.1Å; H63-F196 HydrophobicContact CB-CD2 3.99Å; H63-F196 HydrophobicContact CB-CG 4.37Å; H63-F196 AromaticContact CD2-CD2 3.78Å; H63-F196 AromaticContact CD2-CE2 3.88Å; I64-F196 HydrophobicContact CD1-CB 3.9Å; I64-F196 HydrophobicContact CG1-CB 3.84Å; T194-F196 HydrophobicContact CG2-CD1 4.36Å; F196-V198 HydrophobicContact CD2-CG2 3.8Å; F196-V198 HydrophobicContact CE2-CG2 3.89Å; F196-F203 HydrophobicContact CD1-CB 4.11Å; F196-F203 HydrophobicContact CD2-CB 4.02Å; F196-F203 HydrophobicContact CD2-CD2 4.18Å; F196-F203 HydrophobicContact CD2-CG 4.39Å; F196-F203 HydrophobicContact CE1-CB 3.74Å; F196-F203 HydrophobicContact CE2-CB 3.64Å; F196-F203 AromaticContact CE2-CD2 3.8Å; F196-F203 HydrophobicContact CE2-CD2 3.8Å; F196-F203 AromaticContact CE2-CG 3.79Å; F196-F203 HydrophobicContact CE2-CG 3.79Å; F196-F203 HydrophobicContact CG-CB 4.24Å; F196-F203 HydrophobicContact CZ-CB 3.49Å; F196-F203 VanDerWaalsContact CZ-CB 3.49Å; F196-F203 HydrophobicContact CZ-CD2 4.41Å; F196-F203 AromaticContact CZ-CG 3.93Å; F196-F203 HydrophobicContact CZ-CG 3.93Å; F196-F203 PolarHBondContact N-O 2.91Å; F196-F203 VanDerWaalsContact N-O 3.09Å; F196-F203 PolarHBondContact O-N 3.1Å; F196-M205 HydrophobicContact CE1-CB 4.05Å; F196-M205 HydrophobicContact CE1-CE 3.97Å; F196-M205 HydrophobicContact CE1-SD 4.43Å; F196-M205 HydrophobicContact CZ-CE 3.95Å; F196-F361 HydrophobicContact CE2-CE1 4.04Å; F196-F361 AromaticContact CE2-CZ 3.67Å; F196-F361 HydrophobicContact CE2-CZ 3.67Å; F196-F361 HydrophobicContact CZ-CE2 4.24Å; F196-F361 AromaticContact CZ-CZ 3.8Å; F196-F361 HydrophobicContact CZ-CZ 3.8Å
197S93.2Very high94.6Very high66 Ų6656.6 Ų56.646%0.46229%0.293SS..EExtended strand (participates in β ladder)trans-126.3137.6177.361.60000110.8V201S197-V201 CarbonylContact C-O 3.57Å; S197-V201 VanDerWaalsContact CA-O 3.26Å; S197-V201 WeakPolarHBondContact CA-O 3.42Å
198V92.1Very high94.7Very high12 Ų1251.6 Ų51.67%0.07327%0.267CS..EExtended strand (participates in β ladder)trans-128.8123.5173.5-168.10000107.7F196 K200 V201 F203 F361F196-V198 HydrophobicContact CD2-CG2 3.8Å; F196-V198 HydrophobicContact CE2-CG2 3.89Å; V198-K200 VanDerWaalsContact C-N 3.25Å; V198-K200 PolarHBondContact O-N 3.2Å; V198-V201 PolarHBondContact N-O 3.03Å; V198-V201 WeakPolarHBondContact O-CB 3.23Å; V198-V201 PolarHBondContact O-N 3.04Å; V198-F203 HydrophobicContact CB-CD2 4.5Å; V198-F203 HydrophobicContact CB-CE2 4.04Å; V198-F203 HydrophobicContact CG2-CD2 4.17Å; V198-F203 HydrophobicContact CG2-CE2 4.1Å; V198-F361 HydrophobicContact CG2-CE1 4.08Å
199D89.2Confident94.8Very high118 Ų11850.9 Ų50.963%0.63126%0.262SS*.THydrogen-bonded Turntrans47.645.1-177.8-60.2-20000113.9V201 R365D199-V201 PolarHBondContact O-N 3.1Å; D199-R365 IonicContact OD2-CZ 3.92Å; D199-R365 IonicContact OD2-NH1 3.83Å; D199-R365 PolarHBondContact OD2-NH1 3.24Å; D199-R365 IonicContact OD2-NH2 3.38Å; D199-R365 PolarHBondContact OD2-NH2 3.42Å
200K87.7Confident94.9Very high206 Ų20647.6 Ų47.690%0.89624%0.24SC*.THydrogen-bonded Turntrans67.14.2-177.3-48.5174.1-178.2174.60115.3V198V198-K200 VanDerWaalsContact C-N 3.25Å; V198-K200 PolarHBondContact O-N 3.2Å
201V91.3Very high95Very high36 Ų3648.1 Ų48.122%0.21824%0.237CC..EExtended strand (participates in β ladder)trans-89.3124.7170.6-1770000108.9H40 S197 V198 D199 F203H40-V201 VanDerWaalsContact CE1-CG1 3.45Å; H40-V201 WeakPolarHBondContact CE1-CG1 3.46Å; H40-V201 VanDerWaalsContact ND1-CG1 3.29Å; H40-V201 WeakPolarHBondContact ND1-CG1 3.41Å; S197-V201 CarbonylContact C-O 3.57Å; S197-V201 VanDerWaalsContact CA-O 3.26Å; S197-V201 WeakPolarHBondContact CA-O 3.42Å; V198-V201 PolarHBondContact N-O 3.03Å; V198-V201 WeakPolarHBondContact O-CB 3.23Å; V198-V201 PolarHBondContact O-N 3.04Å; D199-V201 PolarHBondContact O-N 3.1Å; V201-F203 HydrophobicContact CB-CE2 3.92Å; V201-F203 HydrophobicContact CB-CZ 4.38Å; V201-F203 HydrophobicContact CG1-CD2 4.41Å; V201-F203 HydrophobicContact CG1-CE2 3.71Å; V201-F203 HydrophobicContact CG1-CZ 3.81Å; V201-F203 WeakPolarHBondContact O-CD2 3.35Å
202N94.1Very high95Very high60 Ų6050 Ų5032%0.32124%0.241SC..EExtended strand (participates in β ladder)trans-85.7134.3178.7-65.2-34.1000110.6T39 H40T39-N202 WeakPolarHBondContact CA-O 3.4Å; T39-N202 HydrophobicContact CG2-CB 4.13Å; H40-N202 PolarHBondContact N-O 3.4Å
203F95.9Very high94.9Very high3 Ų352.2 Ų52.21%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-118.6139.1174.7-66.9-88.9000110.2H40 L42 K195 F196 V198 V201 F361 R365 I368H40-F203 HydrophobicContact CB-CD1 3.8Å; H40-F203 HydrophobicContact CB-CE1 3.92Å; H40-F203 CarbonylContact O-C 3.59Å; H40-F203 WeakPolarHBondContact O-CA 3.45Å; L42-F203 HydrophobicContact CD1-CD1 3.74Å; L42-F203 HydrophobicContact CD1-CE1 4.35Å; L42-F203 HydrophobicContact CG-CD1 4.25Å; K195-F203 WeakPolarHBondContact CA-O 3.49Å; F196-F203 HydrophobicContact CD1-CB 4.11Å; F196-F203 HydrophobicContact CD2-CB 4.02Å; F196-F203 HydrophobicContact CD2-CD2 4.18Å; F196-F203 HydrophobicContact CD2-CG 4.39Å; F196-F203 HydrophobicContact CE1-CB 3.74Å; F196-F203 HydrophobicContact CE2-CB 3.64Å; F196-F203 AromaticContact CE2-CD2 3.8Å; F196-F203 HydrophobicContact CE2-CD2 3.8Å; F196-F203 AromaticContact CE2-CG 3.79Å; F196-F203 HydrophobicContact CE2-CG 3.79Å; F196-F203 HydrophobicContact CG-CB 4.24Å; F196-F203 HydrophobicContact CZ-CB 3.49Å; F196-F203 VanDerWaalsContact CZ-CB 3.49Å; F196-F203 HydrophobicContact CZ-CD2 4.41Å; F196-F203 AromaticContact CZ-CG 3.93Å; F196-F203 HydrophobicContact CZ-CG 3.93Å; F196-F203 PolarHBondContact N-O 2.91Å; F196-F203 VanDerWaalsContact N-O 3.09Å; F196-F203 PolarHBondContact O-N 3.1Å; V198-F203 HydrophobicContact CB-CD2 4.5Å; V198-F203 HydrophobicContact CB-CE2 4.04Å; V198-F203 HydrophobicContact CG2-CD2 4.17Å; V198-F203 HydrophobicContact CG2-CE2 4.1Å; V201-F203 HydrophobicContact CB-CE2 3.92Å; V201-F203 HydrophobicContact CB-CZ 4.38Å; V201-F203 HydrophobicContact CG1-CD2 4.41Å; V201-F203 HydrophobicContact CG1-CE2 3.71Å; V201-F203 HydrophobicContact CG1-CZ 3.81Å; V201-F203 WeakPolarHBondContact O-CD2 3.35Å; F203-F361 HydrophobicContact CD1-CZ 4.16Å; F203-F361 HydrophobicContact CE1-CZ 4.05Å; F203-F361 HydrophobicContact CE2-CZ 4.43Å; F203-F361 HydrophobicContact CG-CZ 4.39Å; F203-F361 HydrophobicContact CZ-CE1 4.49Å; F203-F361 HydrophobicContact CZ-CZ 4.2Å; F203-R365 HydrophobicContact CZ-CG 3.85Å; F203-I368 HydrophobicContact CE1-CG2 4.09Å
204H96.4Very high94.9Very high13 Ų1348 Ų486%0.0623%0.233CC..EExtended strand (participates in β ladder)trans-125.8108.7172.2-171-172000109.1T39 H40 R41 L42 E193 K195 F206T39-H204 HydrophobicContact CG2-CB 3.7Å; H40-H204 PolarHBondContact O-N 3.34Å; R41-H204 CarbonylContact C-O 3.52Å; R41-H204 VanDerWaalsContact CA-O 3.31Å; R41-H204 WeakPolarHBondContact CA-O 3.32Å; R41-H204 HydrophobicContact CG-CB 4.27Å; L42-H204 PolarHBondContact N-O 3.46Å; E193-H204 IonicContact OE2-CE1 3.37Å; E193-H204 PolarHBondContact OE2-CE1 2.59Å; E193-H204 IonicContact OE2-NE2 3.82Å; E193-H204 PolarHBondContact OE2-NE2 2.86Å; K195-H204 VanDerWaalsContact CE-CE1 3.45Å; K195-H204 WeakPolarHBondContact CE-CE1 3.18Å; K195-H204 VanDerWaalsContact CE-NE2 3.28Å; K195-H204 WeakPolarHBondContact CE-NE2 3.38Å; K195-H204 HydrophobicContact CG-CB 4.48Å; K195-H204 VanDerWaalsContact CG-CD2 3.49Å; K195-H204 WeakPolarHBondContact CG-CD2 3.19Å; H204-F206 AromaticContact CE1-CE1 3.72Å; H204-F206 AromaticContact CE1-CZ 3.27Å; H204-F206 WeakPolarHBondContact CE1-CZ 3.31Å; H204-F206 AromaticContact CG-CE2 3.93Å; H204-F206 AromaticContact CG-CZ 3.88Å; H204-F206 AromaticContact ND1-CE2 3.86Å; H204-F206 AromaticContact ND1-CZ 3.41Å; H204-F206 WeakPolarHBondContact ND1-CZ 3.46Å; H204-F206 AromaticContact NE2-CE1 3.9Å; H204-F206 AromaticContact NE2-CZ 3.71Å
205M97.2Very high94.9Very high0 Ų049.2 Ų49.20%024%0.236CC..EExtended strand (participates in β ladder)trans-105.1132-172.3-173.8172.9-76.600111L42 L44 V56 M59 E193 T194 F196 I229L42-M205 HydrophobicContact CB-CE 4.49Å; L42-M205 HydrophobicContact CD1-CE 3.86Å; L42-M205 CarbonylContact O-C 3.54Å; L42-M205 WeakPolarHBondContact O-CA 3.18Å; L44-M205 HydrophobicContact CD1-CE 4.08Å; L44-M205 HydrophobicContact CD1-CG 3.21Å; L44-M205 HydrophobicContact CD1-SD 3.6Å; L44-M205 HydrophobicContact CD2-SD 4.26Å; V56-M205 HydrophobicContact CB-SD 4.43Å; V56-M205 HydrophobicContact CG2-CG 4.25Å; V56-M205 HydrophobicContact CG2-SD 3.7Å; M59-M205 HydrophobicContact CG-CE 3.66Å; M59-M205 HydrophobicContact CG-SD 3.85Å; M59-M205 HydrophobicContact SD-CE 4.23Å; E193-M205 CarbonylContact C-O 3.59Å; E193-M205 WeakPolarHBondContact CA-O 3.38Å; T194-M205 PolarHBondContact N-O 3.46Å; T194-M205 PolarHBondContact O-N 3.37Å; F196-M205 HydrophobicContact CE1-CB 4.05Å; F196-M205 HydrophobicContact CE1-CE 3.97Å; F196-M205 HydrophobicContact CE1-SD 4.43Å; F196-M205 HydrophobicContact CZ-CE 3.95Å; M205-I229 HydrophobicContact CE-CD1 4.46Å
206F97.6Very high94.9Very high8 Ų852 Ų524%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-111.4116.9178.5-59.8-91.8000109.7R41 L42 L43 L44 I191 F192 E193 H204R41-F206 HydrophobicContact CB-CE2 4.27Å; R41-F206 HydrophobicContact CG-CE2 4.49Å; R41-F206 VanDerWaalsContact NH2-CZ 3.27Å; L42-F206 PolarHBondContact O-N 3.41Å; L43-F206 HydrophobicContact CD1-CB 3.81Å; L44-F206 PolarHBondContact N-O 3.23Å; I191-F206 HydrophobicContact CG2-CD1 4.35Å; F192-F206 WeakPolarHBondContact O-CA 3.48Å; E193-F206 HydrophobicContact CG-CD1 3.76Å; E193-F206 HydrophobicContact CG-CE1 3.69Å; H204-F206 AromaticContact CE1-CE1 3.72Å; H204-F206 AromaticContact CE1-CZ 3.27Å; H204-F206 WeakPolarHBondContact CE1-CZ 3.31Å; H204-F206 AromaticContact CG-CE2 3.93Å; H204-F206 AromaticContact CG-CZ 3.88Å; H204-F206 AromaticContact ND1-CE2 3.86Å; H204-F206 AromaticContact ND1-CZ 3.41Å; H204-F206 WeakPolarHBondContact ND1-CZ 3.46Å; H204-F206 AromaticContact NE2-CE1 3.9Å; H204-F206 AromaticContact NE2-CZ 3.71Å
207D97.6Very high94.9Very high9 Ų953.7 Ų53.75%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-103.5129.2171.4-175.732.5000110.2K52 S53 V56 F192K52-D207 VanDerWaalsContact CB-OD1 3.26Å; K52-D207 WeakPolarHBondContact CB-OD1 3.34Å; S53-D207 VanDerWaalsContact CA-OD2 3.28Å; S53-D207 WeakPolarHBondContact CA-OD2 3.34Å; S53-D207 WeakPolarHBondContact CB-OD2 3.44Å; S53-D207 PolarHBondContact OG-OD2 2.88Å; V56-D207 HydrophobicContact CG2-CB 3.69Å; F192-D207 HydrophobicContact CB-CB 4.49Å; F192-D207 PolarHBondContact N-O 3.42Å; F192-D207 PolarHBondContact O-N 3.48Å
208V97.3Very high95Very high1 Ų151.1 Ų51.11%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-128.6148.7-175-63.20000111.1L44 L45 K52 I191 G210 W218L44-V208 WeakPolarHBondContact O-CG2 3.47Å; L45-V208 HydrophobicContact CD2-CG2 3.8Å; K52-V208 WeakPolarHBondContact CE-O 3.14Å; I191-V208 HydrophobicContact CB-CG1 4.33Å; I191-V208 HydrophobicContact CG1-CG1 3.89Å; I191-V208 HydrophobicContact CG2-CG1 4.15Å; V208-G210 PolarHBondContact O-N 3.49Å; V208-W218 VanDerWaalsContact CG2-CD1 3.4Å; V208-W218 HydrophobicContact CG2-CD2 4.44Å; V208-W218 HydrophobicContact CG2-CG 4.12Å; V208-W218 VanDerWaalsContact CG2-NE1 3.28Å
209G96.5Very high95.1Very high1 Ų154.6 Ų54.61%0.0125%0.247CC..  trans-53.9132.6173.200000111.8T188 G190 W218T188-G209 VanDerWaalsContact O-CA 3.29Å; T188-G209 WeakPolarHBondContact O-CA 3.48Å; G190-G209 PolarHBondContact O-N 3.36Å; G209-W218 PolarHBondContact O-NE1 3.18Å
210G95.9Very high95.4Very high1 Ų155.5 Ų55.51%0.0125%0.247CC..  trans-96.5-14.9-175.700000115G46 G48 V208 R215G46-G210 VanDerWaalsContact O-CA 3.31Å; G46-G210 WeakPolarHBondContact O-CA 3.43Å; G48-G210 VanDerWaalsContact N-C 3.28Å; G48-G210 PolarHBondContact N-O 2.89Å; V208-G210 PolarHBondContact O-N 3.49Å; G210-R215 PolarHBondContact O-NE 3.19Å; G210-R215 VanDerWaalsContact O-NE 3.09Å
211Q96Very high95.8Very high30 Ų3046 Ų4614%0.1421%0.206CC..SBendtrans-63.5148.2178.4-63.787.3-36.500109.6E213 E214 R215 E243Q211-E213 PolarHBondContact O-N 3.49Å; Q211-E213 VanDerWaalsContact O-N 3.13Å; Q211-E214 HydrophobicContact CB-CG 4.4Å; Q211-E214 WeakPolarHBondContact O-CB 3.24Å; Q211-E214 PolarHBondContact O-N 3.21Å; Q211-R215 WeakPolarHBondContact O-CG 3.2Å; Q211-R215 PolarHBondContact O-N 2.89Å; Q211-E243 VanDerWaalsContact CA-OE1 3.31Å; Q211-E243 WeakPolarHBondContact CA-OE1 3.33Å; Q211-E243 WeakPolarHBondContact CB-OE1 3.29Å
212R96.1Very high95.9Very high89 Ų8945.2 Ų45.234%0.33620%0.2SC..G310 helixtrans-52.5-41.4-172.2-74.5-175.4171.3175.6-0.4113E214 R215 D244 E252R212-E214 VanDerWaalsContact C-N 3.28Å; R212-E214 PolarHBondContact O-N 3.38Å; R212-R215 PolarHBondContact O-N 3.38Å; R212-D244 IonicContact CZ-OD2 3.16Å; R212-D244 VanDerWaalsContact NH1-CB 3.27Å; R212-D244 IonicContact NH1-OD2 2.6Å; R212-D244 PolarHBondContact NH1-OD2 2.66Å; R212-D244 IonicContact NH2-OD2 2.7Å; R212-D244 PolarHBondContact NH2-OD2 2.99Å; R212-E252 IonicContact CZ-OE1 2.69Å; R212-E252 IonicContact CZ-OE2 2.72Å; R212-E252 IonicContact NE-OE1 3.62Å; R212-E252 PolarHBondContact NE-OE1 2.97Å; R212-E252 VanDerWaalsContact NE-OE1 3.14Å; R212-E252 IonicContact NE-OE2 2.82Å; R212-E252 IonicContact NH2-OE1 3.31Å; R212-E252 IonicContact NH2-OE2 3.52Å; R212-E252 PolarHBondContact NH2-OE2 3.02Å
213E94.7Very high95.7Very high156 Ų15647.6 Ų47.673%0.72921%0.213SC*.G310 helixtrans-67.7-23.2179.7-60.9178.8165.200114.4Q211 R216Q211-E213 PolarHBondContact O-N 3.49Å; Q211-E213 VanDerWaalsContact O-N 3.13Å; E213-R216 PolarHBondContact O-NE 2.8Å
214E96.5Very high95.3Very high24 Ų2451.2 Ų51.211%0.11223%0.233CC..G310 helixtrans-87.7-21.8-179.4-66.9-67.2133.300112.2S189 G190 Q211 R212 R216 K217S189-E214 WeakPolarHBondContact CA-OE2 3.28Å; S189-E214 PolarHBondContact OG-OE1 3.33Å; S189-E214 PolarHBondContact OG-OE2 3.14Å; G190-E214 PolarHBondContact N-OE2 3.08Å; Q211-E214 HydrophobicContact CB-CG 4.4Å; Q211-E214 WeakPolarHBondContact O-CB 3.24Å; Q211-E214 PolarHBondContact O-N 3.21Å; R212-E214 VanDerWaalsContact C-N 3.28Å; R212-E214 PolarHBondContact O-N 3.38Å; E214-R216 PolarHBondContact O-N 3.47Å; E214-R216 VanDerWaalsContact O-N 3.15Å; E214-K217 WeakPolarHBondContact O-CB 3.39Å; E214-K217 PolarHBondContact O-N 3.38Å; E214-K217 IonicContact OE1-NZ 3.18Å; E214-K217 PolarHBondContact OE1-NZ 2.95Å; E214-K217 WeakPolarHBondContact OE2-CD 3.44Å; E214-K217 WeakPolarHBondContact OE2-CE 3.49Å; E214-K217 IonicContact OE2-NZ 2.98Å; E214-K217 PolarHBondContact OE2-NZ 2.85Å
215R96.1Very high95.2Very high48 Ų4850.8 Ų50.818%0.18123%0.231CC..G310 helixtrans-62.3-27-173.7-56.9-169.1-172157.65.2114.1G210 Q211 R212 K217 W218 E252G210-R215 PolarHBondContact O-NE 3.19Å; G210-R215 VanDerWaalsContact O-NE 3.09Å; Q211-R215 WeakPolarHBondContact O-CG 3.2Å; Q211-R215 PolarHBondContact O-N 2.89Å; R212-R215 PolarHBondContact O-N 3.38Å; R215-K217 PolarHBondContact O-N 3.35Å; R215-W218 HydrophobicContact CB-CD2 4.12Å; R215-W218 HydrophobicContact CB-CE3 4.41Å; R215-W218 HydrophobicContact CB-CZ2 4.28Å; R215-W218 HydrophobicContact CG-CD2 4.41Å; R215-W218 HydrophobicContact CG-CH2 3.98Å; R215-W218 HydrophobicContact CG-CZ2 3.66Å; R215-W218 HydrophobicContact CG-CZ3 4.46Å; R215-W218 VanDerWaalsContact O-CB 3.29Å; R215-W218 WeakPolarHBondContact O-CB 3.27Å; R215-W218 PolarHBondContact O-N 3.35Å; R215-W218 VanDerWaalsContact O-N 3.08Å; R215-E252 IonicContact CZ-OE1 2.72Å; R215-E252 IonicContact NH1-OE1 3.15Å; R215-E252 PolarHBondContact NH1-OE1 3.5Å; R215-E252 IonicContact NH2-OE1 2.98Å; R215-E252 PolarHBondContact NH2-OE1 3.4Å
216R94.8Very high95Very high199 Ų19951 Ų5175%0.75123%0.232SC*.G310 helixtrans-59.2-25.5173.765.8-177.9171.9163.81.2113.2E213 E214 W218 I219E213-R216 PolarHBondContact O-NE 2.8Å; E214-R216 PolarHBondContact O-N 3.47Å; E214-R216 VanDerWaalsContact O-N 3.15Å; R216-W218 VanDerWaalsContact C-N 3.31Å; R216-I219 WeakPolarHBondContact O-CG2 3.26Å
217K96.2Very high94.8Very high47 Ų4750.7 Ų50.720%0.20423%0.231CC..G310 helixtrans-76.9-18.1179.5-58.2177.1-174.6166.20112.3S189 I191 E214 R215 I219 Q220S189-K217 PolarHBondContact OG-NZ 3.41Å; I191-K217 HydrophobicContact CD1-CB 4.5Å; E214-K217 WeakPolarHBondContact O-CB 3.39Å; E214-K217 PolarHBondContact O-N 3.38Å; E214-K217 IonicContact OE1-NZ 3.18Å; E214-K217 PolarHBondContact OE1-NZ 2.95Å; E214-K217 WeakPolarHBondContact OE2-CD 3.44Å; E214-K217 WeakPolarHBondContact OE2-CE 3.49Å; E214-K217 IonicContact OE2-NZ 2.98Å; E214-K217 PolarHBondContact OE2-NZ 2.85Å; R215-K217 PolarHBondContact O-N 3.35Å; K217-I219 VanDerWaalsContact C-N 3.28Å; K217-I219 PolarHBondContact O-N 3.46Å; K217-Q220 VanDerWaalsContact O-CB 3.28Å; K217-Q220 WeakPolarHBondContact O-CB 3.5Å; K217-Q220 WeakPolarHBondContact O-CG 3.5Å; K217-Q220 PolarHBondContact O-N 2.8Å; K217-Q220 VanDerWaalsContact O-N 3.09Å
218W96.8Very high94.8Very high13 Ų1350.3 Ų50.35%0.04923%0.229CC..G310 helixtrans-61-34.5-174.3-64.20.2000113.7L45 V208 G209 R215 R216 Q220 C221 F222 L256 I260L45-W218 HydrophobicContact CB-CZ3 4.45Å; L45-W218 HydrophobicContact CD1-CE3 4.43Å; L45-W218 HydrophobicContact CD2-CB 4.44Å; L45-W218 HydrophobicContact CD2-CD2 3.7Å; L45-W218 HydrophobicContact CD2-CE3 3.78Å; L45-W218 HydrophobicContact CD2-CG 4.04Å; L45-W218 HydrophobicContact CD2-CZ2 4.45Å; L45-W218 HydrophobicContact CD2-CZ3 4.2Å; V208-W218 VanDerWaalsContact CG2-CD1 3.4Å; V208-W218 HydrophobicContact CG2-CD2 4.44Å; V208-W218 HydrophobicContact CG2-CG 4.12Å; V208-W218 VanDerWaalsContact CG2-NE1 3.28Å; G209-W218 PolarHBondContact O-NE1 3.18Å; R215-W218 HydrophobicContact CB-CD2 4.12Å; R215-W218 HydrophobicContact CB-CE3 4.41Å; R215-W218 HydrophobicContact CB-CZ2 4.28Å; R215-W218 HydrophobicContact CG-CD2 4.41Å; R215-W218 HydrophobicContact CG-CH2 3.98Å; R215-W218 HydrophobicContact CG-CZ2 3.66Å; R215-W218 HydrophobicContact CG-CZ3 4.46Å; R215-W218 VanDerWaalsContact O-CB 3.29Å; R215-W218 WeakPolarHBondContact O-CB 3.27Å; R215-W218 PolarHBondContact O-N 3.35Å; R215-W218 VanDerWaalsContact O-N 3.08Å; R216-W218 VanDerWaalsContact C-N 3.31Å; W218-Q220 PolarHBondContact O-N 2.83Å; W218-C221 PolarHBondContact O-N 2.99Å; W218-F222 HydrophobicContact CB-CE1 3.91Å; W218-F222 HydrophobicContact CB-CZ 4.24Å; W218-F222 WeakPolarHBondContact O-CD1 3.38Å; W218-F222 WeakPolarHBondContact O-CE1 3.19Å; W218-L256 HydrophobicContact CH2-CD1 3.72Å; W218-L256 HydrophobicContact CH2-CD2 3.86Å; W218-L256 HydrophobicContact CH2-CG 4.16Å; W218-L256 HydrophobicContact CZ3-CD1 3.65Å; W218-L256 HydrophobicContact CZ3-CG 4.35Å; W218-I260 HydrophobicContact CZ3-CD1 3.97Å; W218-I260 HydrophobicContact CZ3-CG1 4.34Å
219I94.2Very high94.8Very high84 Ų8450.3 Ų50.343%0.43123%0.229SC..G310 helixtrans-54.1-29.4177.6-167.578.7000112.1R216 K217 C221 F222 W265R216-I219 WeakPolarHBondContact O-CG2 3.26Å; K217-I219 VanDerWaalsContact C-N 3.28Å; K217-I219 PolarHBondContact O-N 3.46Å; I219-C221 PolarHBondContact O-N 3.27Å; I219-F222 HydrophobicContact CD1-CD2 3.69Å; I219-F222 HydrophobicContact CD1-CE2 3.98Å; I219-F222 PolarHBondContact O-N 3.27Å; I219-W265 HydrophobicContact CD1-CG 4.3Å
220Q94.7Very high94.9Very high138 Ų13850.3 Ų50.365%0.64523%0.228SC*.G310 helixtrans-67.4-16.3179.4-57.117712.400112.6I191 K217 W218I191-Q220 HydrophobicContact CD1-CB 3.82Å; I191-Q220 HydrophobicContact CD1-CG 4.49Å; I191-Q220 VanDerWaalsContact CD1-OE1 3.3Å; K217-Q220 VanDerWaalsContact O-CB 3.28Å; K217-Q220 WeakPolarHBondContact O-CB 3.5Å; K217-Q220 WeakPolarHBondContact O-CG 3.5Å; K217-Q220 PolarHBondContact O-N 2.8Å; K217-Q220 VanDerWaalsContact O-N 3.09Å; W218-Q220 PolarHBondContact O-N 2.83Å
221C95.1Very high95.1Very high5 Ų550.2 Ų50.23%0.03423%0.228CC..G310 helixtrans-106.72.8-179.4-57.10000113.6L43 I191 W218 I219 N223 V225L43-C221 HydrophobicContact CD1-CB 3.59Å; L43-C221 HydrophobicContact CD2-CB 4.24Å; I191-C221 VanDerWaalsContact CG2-SG 3.53Å; W218-C221 PolarHBondContact O-N 2.99Å; I219-C221 PolarHBondContact O-N 3.27Å; C221-N223 VanDerWaalsContact C-N 3.31Å; C221-N223 PolarHBondContact O-N 2.97Å; C221-V225 WeakPolarHBondContact O-CG2 3.4Å
222F93.9Very high95.2Very high21 Ų2148.8 Ų48.89%0.09222%0.221CC..  trans-78-14.2-172.5-75.36.9000114.1L43 L45 W218 I219 W265 L266L43-F222 HydrophobicContact CD2-CD1 3.7Å; L43-F222 HydrophobicContact CD2-CE1 3.91Å; L45-F222 HydrophobicContact CD1-CE1 4.46Å; W218-F222 HydrophobicContact CB-CE1 3.91Å; W218-F222 HydrophobicContact CB-CZ 4.24Å; W218-F222 WeakPolarHBondContact O-CD1 3.38Å; W218-F222 WeakPolarHBondContact O-CE1 3.19Å; I219-F222 HydrophobicContact CD1-CD2 3.69Å; I219-F222 HydrophobicContact CD1-CE2 3.98Å; I219-F222 PolarHBondContact O-N 3.27Å; F222-W265 HydrophobicContact CD2-CB 3.73Å; F222-W265 HydrophobicContact CD2-CG 4.3Å; F222-W265 HydrophobicContact CE2-CB 4.46Å; F222-L266 HydrophobicContact CB-CD2 4.11Å; F222-L266 HydrophobicContact CD1-CD1 4.22Å; F222-L266 HydrophobicContact CD1-CD2 3.96Å; F222-L266 HydrophobicContact CD1-CG 4.43Å; F222-L266 HydrophobicContact CD2-CD1 4.23Å; F222-L266 HydrophobicContact CD2-CD2 4.03Å; F222-L266 HydrophobicContact CD2-CG 3.97Å; F222-L266 HydrophobicContact CE1-CD1 3.79Å; F222-L266 HydrophobicContact CE1-CD2 4.38Å; F222-L266 HydrophobicContact CE1-CG 4.44Å; F222-L266 HydrophobicContact CE2-CD1 3.79Å; F222-L266 HydrophobicContact CE2-CD2 4.45Å; F222-L266 HydrophobicContact CE2-CG 3.98Å; F222-L266 HydrophobicContact CG-CD1 4.44Å; F222-L266 HydrophobicContact CG-CD2 3.78Å; F222-L266 HydrophobicContact CG-CG 4.22Å; F222-L266 HydrophobicContact CZ-CD1 3.56Å; F222-L266 HydrophobicContact CZ-CG 4.23Å
223N89.5Confident95.3Very high110 Ų11045.1 Ų45.159%0.58821%0.21SC*.THydrogen-bonded Turntrans-75.4136.4178.4-67.8-17.6000111.7C221 V225C221-N223 VanDerWaalsContact C-N 3.31Å; C221-N223 PolarHBondContact O-N 2.97Å; N223-V225 PolarHBondContact O-N 3.42Å; N223-V225 VanDerWaalsContact O-N 3.16Å
224D89.2Confident95.4Very high79 Ų7937.8 Ų37.842%0.42218%0.176SC..THydrogen-bonded Turntrans56.129.7173-52.9-67.3000113.9F36 R41 T226F36-D224 HydrophobicContact CE1-CB 4.1Å; F36-D224 HydrophobicContact CZ-CB 3.67Å; R41-D224 VanDerWaalsContact CB-O 3.29Å; R41-D224 WeakPolarHBondContact CB-O 3.39Å; R41-D224 WeakPolarHBondContact CD-O 3.37Å; R41-D224 PolarHBondContact NE-O 3.34Å; D224-T226 PolarHBondContact O-N 2.94Å
225V93.7Very high95.5Very high3 Ų336.7 Ų36.72%0.01817%0.171CC..  trans-70.7129.3174.9179.70000109.2L43 C221 N223 A227 I228 I269L43-V225 HydrophobicContact CB-CG1 3.89Å; L43-V225 HydrophobicContact CB-CG2 4.11Å; L43-V225 HydrophobicContact CD2-CG2 4.09Å; C221-V225 WeakPolarHBondContact O-CG2 3.4Å; N223-V225 PolarHBondContact O-N 3.42Å; N223-V225 VanDerWaalsContact O-N 3.16Å; V225-A227 VanDerWaalsContact CG1-O 3.29Å; V225-A227 WeakPolarHBondContact CG1-O 3.42Å; V225-I228 HydrophobicContact CG1-CG1 4.25Å; V225-I269 HydrophobicContact CG1-CG2 3.99Å; V225-I269 VanDerWaalsContact O-CD1 3.3Å; V225-I269 WeakPolarHBondContact O-CD1 3.24Å
226T92.9Very high95.6Very high6 Ų634.6 Ų34.64%0.03716%0.163CC..SBendtrans-81.7-44.9173.6-54.60000111.1H40 R41 D224 I368 H372H40-T226 HydrophobicContact CB-CG2 4.48Å; R41-T226 PolarHBondContact N-OG1 3.12Å; R41-T226 WeakPolarHBondContact O-CB 3.38Å; R41-T226 PolarHBondContact O-N 2.59Å; D224-T226 PolarHBondContact O-N 2.94Å; T226-I368 HydrophobicContact CG2-CG2 4.3Å; T226-H372 HydrophobicContact CG2-CB 3.8Å
227A94.1Very high95.7Very high0 Ų025.1 Ų25.10%013%0.128CC..EExtended strand (participates in β ladder)trans-151.2150.5178.300000111.2R41 L42 L43 V225 I272 I368 M371R41-A227 PolarHBondContact O-N 3.35Å; L42-A227 HydrophobicContact CD2-CB 4.01Å; L43-A227 PolarHBondContact N-O 3.16Å; L43-A227 VanDerWaalsContact N-O 3.11Å; V225-A227 VanDerWaalsContact CG1-O 3.29Å; V225-A227 WeakPolarHBondContact CG1-O 3.42Å; A227-I272 HydrophobicContact CB-CD1 4.34Å; A227-I368 HydrophobicContact CB-CG1 4.38Å; A227-M371 HydrophobicContact CB-SD 3.54Å; A227-M371 VanDerWaalsContact CB-SD 3.54Å
228I96.7Very high95.8Very high1 Ų123.3 Ų23.31%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-97.1130.4170.9-65.1156.9000108.2L43 L45 V225 F230 I260 L266 I269 S270 V271 I272L43-I228 CarbonylContact O-C 3.57Å; L43-I228 WeakPolarHBondContact O-CA 3.28Å; L45-I228 HydrophobicContact CB-CG2 4.26Å; L45-I228 HydrophobicContact CD1-CG2 3.96Å; L45-I228 HydrophobicContact CG-CG2 4.15Å; V225-I228 HydrophobicContact CG1-CG1 4.25Å; I228-F230 HydrophobicContact CG2-CB 4.43Å; I228-I260 HydrophobicContact CD1-CG2 3.99Å; I228-L266 HydrophobicContact CD1-CB 4.08Å; I228-L266 HydrophobicContact CD1-CD1 3.78Å; I228-L266 HydrophobicContact CD1-CD2 4.15Å; I228-L266 HydrophobicContact CD1-CG 4.22Å; I228-I269 HydrophobicContact CD1-CB 4.12Å; I228-I269 HydrophobicContact CD1-CG2 3.83Å; I228-I269 HydrophobicContact CG1-CG2 3.79Å; I228-S270 PolarHBondContact N-O 2.73Å; I228-S270 VanDerWaalsContact N-O 3.13Å; I228-V271 HydrophobicContact CB-CG2 4.3Å; I228-V271 HydrophobicContact CD1-CG2 4.36Å; I228-V271 CarbonylContact O-C 3.57Å; I228-V271 WeakPolarHBondContact O-CA 3.17Å; I228-I272 PolarHBondContact O-N 3.29Å
229I98Very high95.8Very high2 Ų223.2 Ų23.21%0.0112%0.12CC..EExtended strand (participates in β ladder)trans-99.3103.1164.8-59.7177.2000107L42 L43 L44 L45 M205 V231 I272 F274L42-I229 HydrophobicContact CD1-CD1 4.19Å; L43-I229 PolarHBondContact O-N 3.49Å; L44-I229 WeakPolarHBondContact CA-O 3.33Å; L44-I229 HydrophobicContact CD1-CD1 4.49Å; L44-I229 HydrophobicContact CG-CB 4.26Å; L45-I229 PolarHBondContact N-O 2.61Å; M205-I229 HydrophobicContact CE-CD1 4.46Å; I229-V231 HydrophobicContact CG2-CG2 4.04Å; I229-I272 CarbonylContact C-O 3.43Å; I229-I272 WeakPolarHBondContact CA-O 3.45Å; I229-I272 HydrophobicContact CG1-CB 4.35Å; I229-F274 HydrophobicContact CG2-CD1 4.21Å; I229-F274 HydrophobicContact CG2-CD2 3.73Å; I229-F274 HydrophobicContact CG2-CE1 4.35Å; I229-F274 HydrophobicContact CG2-CE2 3.87Å; I229-F274 HydrophobicContact CG2-CG 3.9Å; I229-F274 HydrophobicContact CG2-CZ 4.18Å
230F98.6Very high96Very high0 Ų021.6 Ų21.60%011%0.114CC..EExtended strand (participates in β ladder)trans-90.7119.3176.5-173.3-92.6000110L45 I228 A232 S253 L256 L257 I260 V271 I272 L273 F274 F330L45-F230 HydrophobicContact CB-CD2 4.11Å; L45-F230 CarbonylContact O-C 3.58Å; L45-F230 WeakPolarHBondContact O-CA 3.14Å; I228-F230 HydrophobicContact CG2-CB 4.43Å; F230-A232 HydrophobicContact CD1-CB 4.47Å; F230-A232 HydrophobicContact CE1-CB 4.08Å; F230-S253 WeakPolarHBondContact CZ-O 3.35Å; F230-L256 HydrophobicContact CE2-CD2 4.02Å; F230-L256 HydrophobicContact CE2-CG 3.95Å; F230-L256 HydrophobicContact CZ-CB 4.35Å; F230-L256 HydrophobicContact CZ-CD2 4.16Å; F230-L256 HydrophobicContact CZ-CG 4.21Å; F230-L257 HydrophobicContact CB-CD1 4.26Å; F230-L257 HydrophobicContact CD1-CB 4.37Å; F230-L257 HydrophobicContact CD1-CD1 3.99Å; F230-L257 HydrophobicContact CD2-CD1 4.13Å; F230-L257 HydrophobicContact CE1-CB 3.88Å; F230-L257 HydrophobicContact CE1-CD1 4.36Å; F230-L257 HydrophobicContact CE2-CB 4.31Å; F230-L257 HydrophobicContact CG-CD1 3.84Å; F230-L257 HydrophobicContact CZ-CB 3.85Å; F230-I260 HydrophobicContact CD2-CD1 3.46Å; F230-I260 VanDerWaalsContact CD2-CD1 3.46Å; F230-I260 HydrophobicContact CE2-CD1 3.42Å; F230-I260 VanDerWaalsContact CE2-CD1 3.42Å; F230-V271 HydrophobicContact CB-CG1 3.65Å; F230-I272 PolarHBondContact N-O 2.83Å; F230-L273 HydrophobicContact CD1-CD1 3.7Å; F230-L273 HydrophobicContact CE1-CD1 4.48Å; F230-L273 CarbonylContact O-C 3.58Å; F230-F274 PolarHBondContact O-N 3.32Å; F230-F330 HydrophobicContact CE1-CE1 4.1Å
231V98.8Very high96.1Very high0 Ų015.5 Ų15.50%09%0.086CC..EExtended strand (participates in β ladder)trans-107.9120.2-174.9-168.60000109.8L45 S50 K52 I55 I229 F274 N276L45-V231 PolarHBondContact O-N 2.62Å; S50-V231 WeakPolarHBondContact CB-O 3.43Å; S50-V231 WeakPolarHBondContact O-CG1 3.5Å; S50-V231 PolarHBondContact OG-O 2.91Å; K52-V231 HydrophobicContact CG-CB 3.97Å; K52-V231 HydrophobicContact CG-CG2 3.85Å; I55-V231 HydrophobicContact CD1-CB 4.35Å; I55-V231 HydrophobicContact CD1-CG1 3.9Å; I55-V231 HydrophobicContact CD1-CG2 3.46Å; I55-V231 VanDerWaalsContact CD1-CG2 3.46Å; I229-V231 HydrophobicContact CG2-CG2 4.04Å; V231-F274 WeakPolarHBondContact CA-O 3.34Å; V231-F274 HydrophobicContact CG1-CB 4.34Å; V231-F274 HydrophobicContact CG2-CB 4.3Å; V231-N276 HydrophobicContact CG1-CB 3.74Å
232A98.7Very high96.1Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-120.4131.7179.700000111F230 C234 F274 L275 N276 F330F230-A232 HydrophobicContact CD1-CB 4.47Å; F230-A232 HydrophobicContact CE1-CB 4.08Å; A232-C234 PolarHBondContact O-N 3.44Å; A232-F274 PolarHBondContact N-O 3.29Å; A232-L275 HydrophobicContact CB-CD2 4.44Å; A232-L275 CarbonylContact O-C 3.55Å; A232-N276 PolarHBondContact O-N 3.39Å; A232-F330 HydrophobicContact CB-CE1 3.85Å; A232-F330 HydrophobicContact CB-CE2 3.95Å; A232-F330 HydrophobicContact CB-CZ 3.45Å; A232-F330 VanDerWaalsContact CB-CZ 3.45Å
233A98.4Very high96.1Very high12 Ų1224.2 Ų24.210%0.09912%0.121CC..EExtended strand (participates in β ladder)trans-94.689.9175.800000110.7S235 S236 K277A233-S235 PolarHBondContact O-N 3.45Å; A233-S236 WeakPolarHBondContact O-CB 3.3Å; A233-S236 PolarHBondContact O-N 3.31Å; A233-S236 VanDerWaalsContact O-N 3.11Å; A233-K277 HydrophobicContact CB-CD 3.75Å; A233-K277 HydrophobicContact CB-CG 4.23Å
234C97.6Very high96.5Very high1 Ų120.7 Ų20.71%0.00710%0.102CC..G310 helixtrans-63.9-26.9-178.1-59.60000112.7A232 S236 Y237 L281 F326A232-C234 PolarHBondContact O-N 3.44Å; C234-S236 PolarHBondContact O-N 2.88Å; C234-S236 VanDerWaalsContact O-N 3.07Å; C234-Y237 WeakPolarHBondContact O-CD1 3.45Å; C234-Y237 PolarHBondContact O-N 3.1Å; C234-L281 HydrophobicContact CB-CD2 4.11Å; C234-F326 HydrophobicContact CB-CB 4.13Å; C234-F326 HydrophobicContact CB-CD2 3.87Å; C234-F326 HydrophobicContact CB-CE2 4.49Å; C234-F326 HydrophobicContact CB-CG 3.95Å
235S97.9Very high96.8Very high1 Ų121.8 Ų21.81%0.00711%0.113CC..G310 helixtrans-61.7-13.5175.365.60000113.9A233 Y237 K277 K284A233-S235 PolarHBondContact O-N 3.45Å; S235-Y237 VanDerWaalsContact C-N 3.28Å; S235-Y237 PolarHBondContact O-N 3.39Å; S235-K277 WeakPolarHBondContact OG-CB 3.31Å; S235-K284 WeakPolarHBondContact O-CD 3.42Å; S235-K284 WeakPolarHBondContact O-CE 3.2Å; S235-K284 PolarHBondContact O-NZ 3.36Å
236S97.6Very high96.9Very high4 Ų426.7 Ų26.73%0.02815%0.148CC..G310 helixtrans-87.215.4177-61.20000113.9A233 C234 N238 M239A233-S236 WeakPolarHBondContact O-CB 3.3Å; A233-S236 PolarHBondContact O-N 3.31Å; A233-S236 VanDerWaalsContact O-N 3.11Å; C234-S236 PolarHBondContact O-N 2.88Å; C234-S236 VanDerWaalsContact O-N 3.07Å; S236-N238 PolarHBondContact O-N 3.05Å; S236-N238 VanDerWaalsContact O-N 3.11Å; S236-M239 PolarHBondContact O-N 2.86Å
237Y98.2Very high97.2Very high1 Ų127.7 Ų27.70%0.00415%0.152CC..THydrogen-bonded Turntrans-57-26.3-178.468.8-94.8000114.2C234 S235 N248 L281 K284 S290 I292 Y295 F326C234-Y237 WeakPolarHBondContact O-CD1 3.45Å; C234-Y237 PolarHBondContact O-N 3.1Å; S235-Y237 VanDerWaalsContact C-N 3.28Å; S235-Y237 PolarHBondContact O-N 3.39Å; Y237-N248 PolarHBondContact O-ND2 2.93Å; Y237-L281 HydrophobicContact CD1-CD1 3.97Å; Y237-L281 HydrophobicContact CE1-CD1 3.93Å; Y237-K284 HydrophobicContact CE1-CB 4.11Å; Y237-K284 HydrophobicContact CE1-CD 3.99Å; Y237-S290 WeakPolarHBondContact CE2-O 3.44Å; Y237-S290 PolarHBondContact OH-O 3.42Å; Y237-I292 HydrophobicContact CD1-CG1 4.36Å; Y237-I292 HydrophobicContact CD2-CB 4.45Å; Y237-I292 HydrophobicContact CD2-CG1 3.91Å; Y237-I292 HydrophobicContact CE1-CG1 4.16Å; Y237-I292 HydrophobicContact CE2-CB 4.4Å; Y237-I292 HydrophobicContact CE2-CG1 3.67Å; Y237-I292 HydrophobicContact CG-CG1 4.26Å; Y237-Y295 HydrophobicContact CD2-CD2 4.08Å; Y237-Y295 HydrophobicContact CE2-CD2 4.38Å; Y237-Y295 WeakPolarHBondContact O-CB 3.31Å; Y237-F326 VanDerWaalsContact CB-CZ 3.45Å; Y237-F326 HydrophobicContact CD1-CE2 4.34Å; Y237-F326 HydrophobicContact CD1-CZ 4.19Å; Y237-F326 AromaticContact CG-CZ 3.95Å; Y237-F326 HydrophobicContact CG-CZ 3.95Å
238N97.5Very high97.4Very high8 Ų828.4 Ų28.44%0.04316%0.156CC..THydrogen-bonded Turntrans-102.718.3179.467-21.9000113.7N151 S236 K284 S290 Y295N151-N238 HydrophobicContact CB-CB 4.47Å; N151-N238 WeakPolarHBondContact CB-ND2 3.35Å; S236-N238 PolarHBondContact O-N 3.05Å; S236-N238 VanDerWaalsContact O-N 3.11Å; N238-K284 PolarHBondContact OD1-NZ 3.09Å; N238-S290 WeakPolarHBondContact CB-OG 3.4Å; N238-S290 VanDerWaalsContact ND2-CB 3.34Å; N238-S290 WeakPolarHBondContact ND2-CB 3.29Å; N238-S290 PolarHBondContact ND2-OG 3.42Å; N238-Y295 HydrophobicContact CB-CD2 4.11Å; N238-Y295 HydrophobicContact CB-CE1 4.14Å; N238-Y295 HydrophobicContact CB-CE2 3.53Å
239M97.5Very high97.4Very high11 Ų1129.3 Ų29.35%0.05416%0.16CC..  trans-124.1155.1-175.9-60.417676.100111.4S236 N248 R249S236-M239 PolarHBondContact O-N 2.86Å; M239-N248 PolarHBondContact O-ND2 3.39Å; M239-R249 HydrophobicContact CB-CG 4.11Å; M239-R249 PolarHBondContact O-N 3.37Å
240V97.7Very high97.5Very high51 Ų5129.3 Ų29.331%0.30916%0.16SC..BIsolated β-bridgetrans-107.5159.7172.3-58.90000112Q154 P245 Q247 R249Q154-V240 PolarHBondContact NE2-O 2.88Å; V240-P245 WeakPolarHBondContact CG1-O 3.43Å; V240-P245 HydrophobicContact CG2-CB 4.39Å; V240-Q247 CarbonylContact C-O 3.59Å; V240-Q247 WeakPolarHBondContact CA-O 3.45Å; V240-Q247 WeakPolarHBondContact CB-O 3.48Å; V240-R249 VanDerWaalsContact C-CG 3.49Å; V240-R249 WeakPolarHBondContact O-CG 3.28Å; V240-R249 PolarHBondContact O-NE 2.99Å
241L96.8Very high97.5Very high9 Ų933.5 Ų33.55%0.04718%0.178CC..  trans-63.9150.1177.5-62.2172.9000111E243 D244 Q247 R249 E252L241-E243 VanDerWaalsContact C-N 3.31Å; L241-D244 HydrophobicContact CB-CB 4.33Å; L241-D244 HydrophobicContact CD1-CB 4.31Å; L241-D244 CarbonylContact O-C 3.58Å; L241-Q247 HydrophobicContact CD1-CB 3.94Å; L241-Q247 HydrophobicContact CD1-CG 3.7Å; L241-Q247 HydrophobicContact CG-CB 4.42Å; L241-Q247 HydrophobicContact CG-CG 4.31Å; L241-Q247 PolarHBondContact N-O 2.86Å; L241-R249 HydrophobicContact CD2-CB 4.49Å; L241-R249 HydrophobicContact CD2-CG 3.98Å; L241-R249 HydrophobicContact CG-CG 4.48Å; L241-E252 HydrophobicContact CD1-CB 3.93Å; L241-E252 HydrophobicContact CD1-CG 3.64Å; L241-E252 HydrophobicContact CD2-CB 4.17Å; L241-E252 HydrophobicContact CD2-CG 3.95Å; L241-E252 HydrophobicContact CG-CB 4.32Å; L241-E252 HydrophobicContact CG-CG 4.3Å
242R94.5Very high97.4Very high129 Ų12933.7 Ų33.749%0.48718%0.179SC..SBendtrans-71.3-35.8171.5-179.6179-78.4-169.9-6.4110.3Q154 D244Q154-R242 HydrophobicContact CG-CB 4.48Å; Q154-R242 HydrophobicContact CG-CG 4.45Å; R242-D244 VanDerWaalsContact C-N 3.31Å
243E95.4Very high97.4Very high80 Ų8034 Ų3437%0.37418%0.18SC..SBendtrans-75.4-19.3-179.9-54.495.6134.700113.1Q211 L241Q211-E243 VanDerWaalsContact CA-OE1 3.31Å; Q211-E243 WeakPolarHBondContact CA-OE1 3.33Å; Q211-E243 WeakPolarHBondContact CB-OE1 3.29Å; L241-E243 VanDerWaalsContact C-N 3.31Å
244D96.5Very high97.4Very high37 Ų3734.5 Ų34.520%0.19818%0.182CC..  trans-156.693.7-175.9-177.7-5.2000110.4R212 L241 R242 S246 Q247R212-D244 IonicContact CZ-OD2 3.16Å; R212-D244 VanDerWaalsContact NH1-CB 3.27Å; R212-D244 IonicContact NH1-OD2 2.6Å; R212-D244 PolarHBondContact NH1-OD2 2.66Å; R212-D244 IonicContact NH2-OD2 2.7Å; R212-D244 PolarHBondContact NH2-OD2 2.99Å; L241-D244 HydrophobicContact CB-CB 4.33Å; L241-D244 HydrophobicContact CD1-CB 4.31Å; L241-D244 CarbonylContact O-C 3.58Å; R242-D244 VanDerWaalsContact C-N 3.31Å; D244-S246 PolarHBondContact O-N 3.05Å; D244-S246 WeakPolarHBondContact OD1-CB 3.44Å; D244-S246 PolarHBondContact OD1-N 3.03Å; D244-S246 VanDerWaalsContact OD1-N 3.08Å; D244-S246 PolarHBondContact OD1-OG 3.11Å; D244-Q247 HydrophobicContact CB-CB 4.29Å; D244-Q247 PolarHBondContact O-N 2.97Å; D244-Q247 VanDerWaalsContact O-N 3.08Å
245P95.4Very high97.4Very high101 Ų10139.7 Ų39.766%0.65621%0.206SC*.THydrogen-bonded Turntrans-64.2-9.7-178.8-22.934.1000114.6V240V240-P245 WeakPolarHBondContact CG1-O 3.43Å; V240-P245 HydrophobicContact CG2-CB 4.39Å
246S96.8Very high97.4Very high107 Ų10740.1 Ų40.175%0.74821%0.208SC*.THydrogen-bonded Turntrans-85.4-17.1176.177.90000112.9D244D244-S246 PolarHBondContact O-N 3.05Å; D244-S246 WeakPolarHBondContact OD1-CB 3.44Å; D244-S246 PolarHBondContact OD1-N 3.03Å; D244-S246 VanDerWaalsContact OD1-N 3.08Å; D244-S246 PolarHBondContact OD1-OG 3.11Å
247Q97.8Very high97.5Very high27 Ų2739.9 Ų39.913%0.12621%0.206CC..SBendtrans-104.2128-173178.362.8-5500112.3V240 L241 D244 E252 E255V240-Q247 CarbonylContact C-O 3.59Å; V240-Q247 WeakPolarHBondContact CA-O 3.45Å; V240-Q247 WeakPolarHBondContact CB-O 3.48Å; L241-Q247 HydrophobicContact CD1-CB 3.94Å; L241-Q247 HydrophobicContact CD1-CG 3.7Å; L241-Q247 HydrophobicContact CG-CB 4.42Å; L241-Q247 HydrophobicContact CG-CG 4.31Å; L241-Q247 PolarHBondContact N-O 2.86Å; D244-Q247 HydrophobicContact CB-CB 4.29Å; D244-Q247 PolarHBondContact O-N 2.97Å; D244-Q247 VanDerWaalsContact O-N 3.08Å; Q247-E252 HydrophobicContact CG-CB 3.87Å; Q247-E255 VanDerWaalsContact NE2-CD 3.25Å; Q247-E255 PolarHBondContact NE2-OE1 2.93Å; Q247-E255 PolarHBondContact NE2-OE2 3.3Å
248N98.3Very high97.3Very high14 Ų1441.2 Ų41.28%0.07522%0.218CC..BIsolated β-bridgetrans-72.2136.7175.1177.9-85.9000111Y237 M239 V250 K251 E252Y237-N248 PolarHBondContact O-ND2 2.93Å; M239-N248 PolarHBondContact O-ND2 3.39Å; N248-V250 PolarHBondContact O-N 3.14Å; N248-V250 PolarHBondContact OD1-N 3.23Å; N248-K251 HydrophobicContact CB-CB 4.06Å; N248-K251 HydrophobicContact CB-CD 3.95Å; N248-K251 HydrophobicContact CB-CG 3.93Å; N248-K251 PolarHBondContact O-N 3.27Å; N248-K251 PolarHBondContact OD1-N 2.91Å; N248-K251 VanDerWaalsContact OD1-N 3.16Å; N248-E252 WeakPolarHBondContact O-CB 3.45Å; N248-E252 PolarHBondContact O-N 2.74Å
249R98.3Very high97.2Very high21 Ų2144.3 Ų44.38%0.07924%0.24CC..Hα-helixtrans-63.7-35.7-174.1-66.4-167.6176.5-162.4-5.1114E49 M239 V240 L241 S253E49-R249 IonicContact OE2-CZ 3.45Å; E49-R249 IonicContact OE2-NH1 3.22Å; E49-R249 PolarHBondContact OE2-NH1 3.09Å; E49-R249 IonicContact OE2-NH2 3.89Å; E49-R249 PolarHBondContact OE2-NH2 3.19Å; E49-R249 VanDerWaalsContact OE2-NH2 3.16Å; M239-R249 HydrophobicContact CB-CG 4.11Å; M239-R249 PolarHBondContact O-N 3.37Å; V240-R249 VanDerWaalsContact C-CG 3.49Å; V240-R249 WeakPolarHBondContact O-CG 3.28Å; V240-R249 PolarHBondContact O-NE 2.99Å; L241-R249 HydrophobicContact CD2-CB 4.49Å; L241-R249 HydrophobicContact CD2-CG 3.98Å; L241-R249 HydrophobicContact CG-CG 4.48Å; R249-S253 WeakPolarHBondContact O-CB 3.44Å; R249-S253 PolarHBondContact O-N 3.36Å; R249-S253 VanDerWaalsContact O-N 3.13Å
250V98.5Very high97.1Very high2 Ų244.1 Ų44.11%0.01224%0.239CC..Hα-helixtrans-76.7-38.3178173.50000110.6N248 S253 L254 F296 F326 F330N248-V250 PolarHBondContact O-N 3.14Å; N248-V250 PolarHBondContact OD1-N 3.23Å; V250-S253 WeakPolarHBondContact O-CB 3.47Å; V250-S253 PolarHBondContact O-N 3.22Å; V250-S253 VanDerWaalsContact O-N 3.11Å; V250-L254 HydrophobicContact CG1-CD1 4.4Å; V250-L254 WeakPolarHBondContact O-CG 3.25Å; V250-L254 PolarHBondContact O-N 3.07Å; V250-F296 HydrophobicContact CB-CE2 4.18Å; V250-F296 HydrophobicContact CB-CZ 3.7Å; V250-F296 HydrophobicContact CG1-CE1 4.18Å; V250-F296 HydrophobicContact CG1-CE2 4.29Å; V250-F296 HydrophobicContact CG1-CZ 3.58Å; V250-F326 HydrophobicContact CG1-CD1 4.05Å; V250-F326 HydrophobicContact CG1-CE1 4.03Å; V250-F330 HydrophobicContact CG1-CE2 4.35Å; V250-F330 HydrophobicContact CG1-CZ 4.47Å
251K98.4Very high96.9Very high87 Ų8742 Ų4238%0.37823%0.226SC..Hα-helixtrans-61.4-45.1173-63.1-176-176174.80112N248 S253 L254 E255 Y295 F296N248-K251 HydrophobicContact CB-CB 4.06Å; N248-K251 HydrophobicContact CB-CD 3.95Å; N248-K251 HydrophobicContact CB-CG 3.93Å; N248-K251 PolarHBondContact O-N 3.27Å; N248-K251 PolarHBondContact OD1-N 2.91Å; N248-K251 VanDerWaalsContact OD1-N 3.16Å; K251-S253 VanDerWaalsContact C-N 3.26Å; K251-S253 PolarHBondContact O-N 3.07Å; K251-L254 WeakPolarHBondContact O-CB 3.44Å; K251-L254 PolarHBondContact O-N 3.47Å; K251-L254 VanDerWaalsContact O-N 3.11Å; K251-E255 WeakPolarHBondContact O-CG 3.39Å; K251-E255 PolarHBondContact O-N 3Å; K251-Y295 PolarHBondContact NZ-O 2.83Å; K251-F296 HydrophobicContact CG-CE1 4.1Å; K251-F296 HydrophobicContact CG-CZ 3.92Å
252E98.3Very high96.7Very high5 Ų545.8 Ų45.82%0.02325%0.245CC..Hα-helixtrans-54.9-43.5170.7175.975.2177.300111.5R212 R215 L241 Q247 N248 L254 E255 L256R212-E252 IonicContact CZ-OE1 2.69Å; R212-E252 IonicContact CZ-OE2 2.72Å; R212-E252 IonicContact NE-OE1 3.62Å; R212-E252 PolarHBondContact NE-OE1 2.97Å; R212-E252 VanDerWaalsContact NE-OE1 3.14Å; R212-E252 IonicContact NE-OE2 2.82Å; R212-E252 IonicContact NH2-OE1 3.31Å; R212-E252 IonicContact NH2-OE2 3.52Å; R212-E252 PolarHBondContact NH2-OE2 3.02Å; R215-E252 IonicContact CZ-OE1 2.72Å; R215-E252 IonicContact NH1-OE1 3.15Å; R215-E252 PolarHBondContact NH1-OE1 3.5Å; R215-E252 IonicContact NH2-OE1 2.98Å; R215-E252 PolarHBondContact NH2-OE1 3.4Å; L241-E252 HydrophobicContact CD1-CB 3.93Å; L241-E252 HydrophobicContact CD1-CG 3.64Å; L241-E252 HydrophobicContact CD2-CB 4.17Å; L241-E252 HydrophobicContact CD2-CG 3.95Å; L241-E252 HydrophobicContact CG-CB 4.32Å; L241-E252 HydrophobicContact CG-CG 4.3Å; Q247-E252 HydrophobicContact CG-CB 3.87Å; N248-E252 WeakPolarHBondContact O-CB 3.45Å; N248-E252 PolarHBondContact O-N 2.74Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.43Å; E252-E255 PolarHBondContact O-N 3.16Å; E252-L256 WeakPolarHBondContact O-CB 3.44Å; E252-L256 PolarHBondContact O-N 2.93Å
253S98.6Very high96.6Very high5 Ų541.4 Ų41.44%0.03523%0.232CC..Hα-helixtrans-66.9-33.7-179.9-166.80000112.4F230 R249 V250 K251 L257F230-S253 WeakPolarHBondContact CZ-O 3.35Å; R249-S253 WeakPolarHBondContact O-CB 3.44Å; R249-S253 PolarHBondContact O-N 3.36Å; R249-S253 VanDerWaalsContact O-N 3.13Å; V250-S253 WeakPolarHBondContact O-CB 3.47Å; V250-S253 PolarHBondContact O-N 3.22Å; V250-S253 VanDerWaalsContact O-N 3.11Å; K251-S253 VanDerWaalsContact C-N 3.26Å; K251-S253 PolarHBondContact O-N 3.07Å; S253-L257 PolarHBondContact O-N 3.09Å
254L98.6Very high96.4Very high24 Ų2447.1 Ų47.113%0.12625%0.25CC..Hα-helixtrans-67.9-47.5174.2-71.5164.1000111.1V250 K251 E252 L256 L257 A258 F296 E329 F330 V333V250-L254 HydrophobicContact CG1-CD1 4.4Å; V250-L254 WeakPolarHBondContact O-CG 3.25Å; V250-L254 PolarHBondContact O-N 3.07Å; K251-L254 WeakPolarHBondContact O-CB 3.44Å; K251-L254 PolarHBondContact O-N 3.47Å; K251-L254 VanDerWaalsContact O-N 3.11Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.43Å; L254-L256 VanDerWaalsContact C-N 3.29Å; L254-L256 PolarHBondContact O-N 3.49Å; L254-L257 PolarHBondContact O-N 3.37Å; L254-A258 PolarHBondContact O-N 3.34Å; L254-F296 HydrophobicContact CD1-CE1 4.34Å; L254-E329 HydrophobicContact CD2-CB 4.32Å; L254-F330 HydrophobicContact CD2-CB 4.3Å; L254-F330 HydrophobicContact CD2-CD1 3.55Å; L254-F330 HydrophobicContact CD2-CD2 4.08Å; L254-F330 HydrophobicContact CD2-CE1 3.76Å; L254-F330 HydrophobicContact CD2-CE2 4.24Å; L254-F330 HydrophobicContact CD2-CG 3.72Å; L254-F330 HydrophobicContact CD2-CZ 4.09Å; L254-F330 HydrophobicContact CG-CD1 4.37Å; L254-F330 HydrophobicContact CG-CE1 4.08Å; L254-F330 HydrophobicContact CG-CZ 4.18Å; L254-V333 HydrophobicContact CB-CG2 4.39Å; L254-V333 HydrophobicContact CD2-CG2 3.83Å
255E97.9Very high96.2Very high109 Ų10952.3 Ų52.351%0.50927%0.267SS..Hα-helixtrans-60.1-41.1175.5-71.1170.8-162.800111.6Q247 K251 E252 A258 S259Q247-E255 VanDerWaalsContact NE2-CD 3.25Å; Q247-E255 PolarHBondContact NE2-OE1 2.93Å; Q247-E255 PolarHBondContact NE2-OE2 3.3Å; K251-E255 WeakPolarHBondContact O-CG 3.39Å; K251-E255 PolarHBondContact O-N 3Å; E252-E255 PolarHBondContact O-N 3.16Å; E255-A258 WeakPolarHBondContact O-CB 3.36Å; E255-A258 PolarHBondContact O-N 3.47Å; E255-S259 PolarHBondContact O-N 3.15Å
256L97.8Very high96Very high10 Ų1047.7 Ų47.75%0.05224%0.237CC..Hα-helixtrans-65.2-42.8177-177.162.1000112A47 W218 F230 E252 L254 A258 S259 I260A47-L256 HydrophobicContact CB-CD2 4.29Å; W218-L256 HydrophobicContact CH2-CD1 3.72Å; W218-L256 HydrophobicContact CH2-CD2 3.86Å; W218-L256 HydrophobicContact CH2-CG 4.16Å; W218-L256 HydrophobicContact CZ3-CD1 3.65Å; W218-L256 HydrophobicContact CZ3-CG 4.35Å; F230-L256 HydrophobicContact CE2-CD2 4.02Å; F230-L256 HydrophobicContact CE2-CG 3.95Å; F230-L256 HydrophobicContact CZ-CB 4.35Å; F230-L256 HydrophobicContact CZ-CD2 4.16Å; F230-L256 HydrophobicContact CZ-CG 4.21Å; E252-L256 WeakPolarHBondContact O-CB 3.44Å; E252-L256 PolarHBondContact O-N 2.93Å; L254-L256 VanDerWaalsContact C-N 3.29Å; L254-L256 PolarHBondContact O-N 3.49Å; L256-A258 VanDerWaalsContact C-N 3.33Å; L256-S259 WeakPolarHBondContact O-CB 3.45Å; L256-S259 PolarHBondContact O-N 3.48Å; L256-I260 HydrophobicContact CD1-CD1 4.49Å; L256-I260 HydrophobicContact CG-CD1 4.23Å; L256-I260 WeakPolarHBondContact O-CG1 3.28Å; L256-I260 PolarHBondContact O-N 2.88Å
257L97.7Very high95.6Very high0 Ų048.5 Ų48.50%022%0.223CC..Hα-helixtrans-62.2-43173.8-179.959.7000110.7F230 S253 L254 S259 I260 W261 V271 L273 F330 V333 T334F230-L257 HydrophobicContact CB-CD1 4.26Å; F230-L257 HydrophobicContact CD1-CB 4.37Å; F230-L257 HydrophobicContact CD1-CD1 3.99Å; F230-L257 HydrophobicContact CD2-CD1 4.13Å; F230-L257 HydrophobicContact CE1-CB 3.88Å; F230-L257 HydrophobicContact CE1-CD1 4.36Å; F230-L257 HydrophobicContact CE2-CB 4.31Å; F230-L257 HydrophobicContact CG-CD1 3.84Å; F230-L257 HydrophobicContact CZ-CB 3.85Å; S253-L257 PolarHBondContact O-N 3.09Å; L254-L257 PolarHBondContact O-N 3.37Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 2.94Å; L257-I260 PolarHBondContact O-N 3.14Å; L257-W261 VanDerWaalsContact O-CB 3.28Å; L257-W261 WeakPolarHBondContact O-CB 3.47Å; L257-W261 PolarHBondContact O-N 3.13Å; L257-V271 HydrophobicContact CD1-CG1 4.23Å; L257-L273 HydrophobicContact CD2-CD1 4.46Å; L257-F330 HydrophobicContact CB-CD1 4.47Å; L257-F330 HydrophobicContact CD2-CB 4.3Å; L257-F330 HydrophobicContact CD2-CD1 3.62Å; L257-F330 HydrophobicContact CD2-CE1 4.49Å; L257-F330 HydrophobicContact CD2-CG 4.45Å; L257-V333 HydrophobicContact CB-CG1 4.45Å; L257-V333 HydrophobicContact CG-CG1 4.27Å; L257-T334 HydrophobicContact CD1-CG2 4.36Å; L257-T334 HydrophobicContact CD2-CG2 3.74Å; L257-T334 HydrophobicContact CG-CG2 4.06Å
258A96Very high95.1Very high29 Ų2953.1 Ų53.124%0.2425%0.249CC..Hα-helixtrans-58.8-41.8176.900000111.9L254 E255 L256 N262 V333L254-A258 PolarHBondContact O-N 3.34Å; E255-A258 WeakPolarHBondContact O-CB 3.36Å; E255-A258 PolarHBondContact O-N 3.47Å; L256-A258 VanDerWaalsContact C-N 3.33Å; A258-N262 WeakPolarHBondContact O-CB 3.33Å; A258-N262 PolarHBondContact O-N 3Å; A258-N262 VanDerWaalsContact O-N 3.08Å; A258-N262 PolarHBondContact O-ND2 3.29Å; A258-V333 VanDerWaalsContact CA-CG1 3.46Å; A258-V333 HydrophobicContact CB-CG1 3.51Å
259S95.2Very high94.8Very high73 Ų7353.9 Ų53.951%0.5125%0.252SS..Hα-helixtrans-62.7-42176.11770000112.4E255 L256 L257 N263E255-S259 PolarHBondContact O-N 3.15Å; L256-S259 WeakPolarHBondContact O-CB 3.45Å; L256-S259 PolarHBondContact O-N 3.48Å; L257-S259 VanDerWaalsContact C-N 3.29Å; L257-S259 PolarHBondContact O-N 2.94Å; S259-N263 WeakPolarHBondContact O-CB 3.36Å; S259-N263 PolarHBondContact O-N 3.04Å
260I94.7Very high94.5Very high6 Ų653.2 Ų53.23%0.03125%0.251CS..Hα-helixtrans-69.2-47.4178.1-69.4163.9000110.8L45 W218 I228 F230 L256 L257 N262 N263 L266L45-I260 HydrophobicContact CB-CD1 3.77Å; L45-I260 HydrophobicContact CD1-CD1 3.71Å; L45-I260 HydrophobicContact CD1-CG1 4.02Å; L45-I260 HydrophobicContact CD1-CG2 4.08Å; L45-I260 HydrophobicContact CG-CD1 4.38Å; W218-I260 HydrophobicContact CZ3-CD1 3.97Å; W218-I260 HydrophobicContact CZ3-CG1 4.34Å; I228-I260 HydrophobicContact CD1-CG2 3.99Å; F230-I260 HydrophobicContact CD2-CD1 3.46Å; F230-I260 VanDerWaalsContact CD2-CD1 3.46Å; F230-I260 HydrophobicContact CE2-CD1 3.42Å; F230-I260 VanDerWaalsContact CE2-CD1 3.42Å; L256-I260 HydrophobicContact CD1-CD1 4.49Å; L256-I260 HydrophobicContact CG-CD1 4.23Å; L256-I260 WeakPolarHBondContact O-CG1 3.28Å; L256-I260 PolarHBondContact O-N 2.88Å; L257-I260 PolarHBondContact O-N 3.14Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 3.42Å; I260-N263 WeakPolarHBondContact O-CB 3.27Å; I260-N263 PolarHBondContact O-N 3.49Å; I260-L266 HydrophobicContact CG2-CD1 3.98Å
261W94.1Very high94.3Very high8 Ų853.2 Ų53.23%0.0325%0.251CS..Hα-helixtrans-58.5-41.6-178.7-172.8-100.9000112.1L257 N263 V271 T334 N336 N337 H342 C344L257-W261 VanDerWaalsContact O-CB 3.28Å; L257-W261 WeakPolarHBondContact O-CB 3.47Å; L257-W261 PolarHBondContact O-N 3.13Å; W261-N263 VanDerWaalsContact C-N 3.35Å; W261-V271 HydrophobicContact CE3-CB 4.48Å; W261-V271 HydrophobicContact CE3-CG2 3.91Å; W261-V271 HydrophobicContact CZ3-CB 4.23Å; W261-V271 HydrophobicContact CZ3-CG2 4.03Å; W261-T334 HydrophobicContact CD2-CG2 3.72Å; W261-T334 HydrophobicContact CE3-CG2 3.54Å; W261-T334 HydrophobicContact CG-CG2 4.23Å; W261-T334 HydrophobicContact CH2-CG2 4.39Å; W261-T334 WeakPolarHBondContact CZ2-O 3.4Å; W261-T334 HydrophobicContact CZ3-CG2 3.9Å; W261-N336 PolarHBondContact NE1-O 2.77Å; W261-N337 WeakPolarHBondContact CZ2-OD1 3.21Å; W261-H342 AromaticContact CD2-CD2 4Å; W261-H342 AromaticContact CD2-NE2 3.61Å; W261-H342 AromaticContact CE2-CD2 3.8Å; W261-H342 AromaticContact CE2-NE2 3.23Å; W261-H342 AromaticContact CE3-CD2 3.8Å; W261-H342 AromaticContact CE3-NE2 3.93Å; W261-H342 AromaticContact CH2-CD2 3.23Å; W261-H342 WeakPolarHBondContact CH2-CD2 3.48Å; W261-H342 AromaticContact CH2-NE2 3.59Å; W261-H342 AromaticContact CZ2-CD2 3.43Å; W261-H342 VanDerWaalsContact CZ2-CD2 3.43Å; W261-H342 WeakPolarHBondContact CZ2-CD2 3.46Å; W261-H342 AromaticContact CZ2-NE2 3.23Å; W261-H342 WeakPolarHBondContact CZ2-NE2 3.48Å; W261-H342 AromaticContact CZ3-CD2 3.43Å; W261-H342 VanDerWaalsContact CZ3-CD2 3.43Å; W261-H342 WeakPolarHBondContact CZ3-CD2 3.47Å; W261-H342 AromaticContact CZ3-NE2 3.92Å; W261-H342 AromaticContact NE1-NE2 3.74Å; W261-C344 HydrophobicContact CH2-CB 4.07Å; W261-C344 HydrophobicContact CZ3-CB 3.89Å
262N91.8Very high94.3Very high87 Ų8749.1 Ų49.147%0.46523%0.233SC..THydrogen-bonded Turntrans-91.15.9179.1-63.5-68.6000113.5A258 I260 R264 N338A258-N262 WeakPolarHBondContact O-CB 3.33Å; A258-N262 PolarHBondContact O-N 3Å; A258-N262 VanDerWaalsContact O-N 3.08Å; A258-N262 PolarHBondContact O-ND2 3.29Å; I260-N262 VanDerWaalsContact C-N 3.3Å; I260-N262 PolarHBondContact O-N 3.42Å; N262-R264 PolarHBondContact O-N 2.88Å; N262-N338 PolarHBondContact OD1-ND2 3.15Å
263N92.3Very high94.3Very high38 Ų3848.9 Ų48.920%0.20323%0.232CC..  trans-69124.4-178.5-167.7-61.4000110.6S259 I260 W261 W265 L266 R267S259-N263 WeakPolarHBondContact O-CB 3.36Å; S259-N263 PolarHBondContact O-N 3.04Å; I260-N263 WeakPolarHBondContact O-CB 3.27Å; I260-N263 PolarHBondContact O-N 3.49Å; W261-N263 VanDerWaalsContact C-N 3.35Å; N263-W265 PolarHBondContact O-N 3.15Å; N263-W265 VanDerWaalsContact O-N 3.08Å; N263-W265 WeakPolarHBondContact OD1-CB 3.44Å; N263-W265 PolarHBondContact OD1-N 2.78Å; N263-L266 HydrophobicContact CB-CB 4.18Å; N263-L266 HydrophobicContact CB-CD1 4.26Å; N263-L266 HydrophobicContact CB-CG 4.32Å; N263-L266 CarbonylContact O-C 3.5Å; N263-L266 PolarHBondContact O-N 3.34Å; N263-R267 PolarHBondContact O-N 3.41Å
264R91.4Very high94.3Very high199 Ų19948.8 Ų48.875%0.75123%0.231SC*.THydrogen-bonded Turntrans-55.7-30.4-178.670.3-179.8-176.5-172.8-1.3114.5N262N262-R264 PolarHBondContact O-N 2.88Å
265W92Very high94.3Very high147 Ų14747.7 Ų47.756%0.55723%0.225SC*.THydrogen-bonded Turntrans-82.2-18180-57.2108.6000112.8I219 F222 N263I219-W265 HydrophobicContact CD1-CG 4.3Å; F222-W265 HydrophobicContact CD2-CB 3.73Å; F222-W265 HydrophobicContact CD2-CG 4.3Å; F222-W265 HydrophobicContact CE2-CB 4.46Å; N263-W265 PolarHBondContact O-N 3.15Å; N263-W265 VanDerWaalsContact O-N 3.08Å; N263-W265 WeakPolarHBondContact OD1-CB 3.44Å; N263-W265 PolarHBondContact OD1-N 2.78Å
266L91.9Very high94.3Very high3 Ų342.6 Ų42.62%0.01620%0.202CC..THydrogen-bonded Turntrans-115.92.6-176.6-56.5175.6000113L45 F222 I228 I260 N263 N268 I269L45-L266 HydrophobicContact CD1-CD1 4.39Å; F222-L266 HydrophobicContact CB-CD2 4.11Å; F222-L266 HydrophobicContact CD1-CD1 4.22Å; F222-L266 HydrophobicContact CD1-CD2 3.96Å; F222-L266 HydrophobicContact CD1-CG 4.43Å; F222-L266 HydrophobicContact CD2-CD1 4.23Å; F222-L266 HydrophobicContact CD2-CD2 4.03Å; F222-L266 HydrophobicContact CD2-CG 3.97Å; F222-L266 HydrophobicContact CE1-CD1 3.79Å; F222-L266 HydrophobicContact CE1-CD2 4.38Å; F222-L266 HydrophobicContact CE1-CG 4.44Å; F222-L266 HydrophobicContact CE2-CD1 3.79Å; F222-L266 HydrophobicContact CE2-CD2 4.45Å; F222-L266 HydrophobicContact CE2-CG 3.98Å; F222-L266 HydrophobicContact CG-CD1 4.44Å; F222-L266 HydrophobicContact CG-CD2 3.78Å; F222-L266 HydrophobicContact CG-CG 4.22Å; F222-L266 HydrophobicContact CZ-CD1 3.56Å; F222-L266 HydrophobicContact CZ-CG 4.23Å; I228-L266 HydrophobicContact CD1-CB 4.08Å; I228-L266 HydrophobicContact CD1-CD1 3.78Å; I228-L266 HydrophobicContact CD1-CD2 4.15Å; I228-L266 HydrophobicContact CD1-CG 4.22Å; I260-L266 HydrophobicContact CG2-CD1 3.98Å; N263-L266 HydrophobicContact CB-CB 4.18Å; N263-L266 HydrophobicContact CB-CD1 4.26Å; N263-L266 HydrophobicContact CB-CG 4.32Å; N263-L266 CarbonylContact O-C 3.5Å; N263-L266 PolarHBondContact O-N 3.34Å; L266-N268 PolarHBondContact O-N 2.94Å; L266-I269 HydrophobicContact CD2-CG1 4.42Å; L266-I269 WeakPolarHBondContact O-CB 3.29Å; L266-I269 PolarHBondContact O-N 3.16Å
267R86.9Confident94.3Very high125 Ų12543 Ų4347%0.47220%0.203SC..THydrogen-bonded Turntrans-56.2-19.9-171.4-174.3176.5177.9-176.20.3115.3N263 N338 H342N263-R267 PolarHBondContact O-N 3.41Å; R267-N338 PolarHBondContact NH2-O 2.83Å; R267-H342 PolarHBondContact O-CE1 3.41Å; R267-H342 PolarHBondContact O-ND1 3.33Å
268N87.7Confident94.4Very high123 Ų12343.6 Ų43.666%0.65821%0.206SC*.THydrogen-bonded Turntrans-109.72177.7-67.6-29.1000113.2L266L266-N268 PolarHBondContact O-N 2.94Å
269I91.5Very high94.4Very high30 Ų3044.4 Ų44.415%0.15421%0.206CC..  trans-92.5125.3-179.2-53-53.4000108.6V225 I228 L266V225-I269 HydrophobicContact CG1-CG2 3.99Å; V225-I269 VanDerWaalsContact O-CD1 3.3Å; V225-I269 WeakPolarHBondContact O-CD1 3.24Å; I228-I269 HydrophobicContact CD1-CB 4.12Å; I228-I269 HydrophobicContact CD1-CG2 3.83Å; I228-I269 HydrophobicContact CG1-CG2 3.79Å; L266-I269 HydrophobicContact CD2-CG1 4.42Å; L266-I269 WeakPolarHBondContact O-CB 3.29Å; L266-I269 PolarHBondContact O-N 3.16Å
270S92.6Very high94.5Very high8 Ų842.1 Ų42.16%0.05619%0.188CC..  trans-75.6150.9177.4-66.20000111.2I228 H342 Y343I228-S270 PolarHBondContact N-O 2.73Å; I228-S270 VanDerWaalsContact N-O 3.13Å; S270-H342 WeakPolarHBondContact OG-CA 3.35Å; S270-Y343 WeakPolarHBondContact CA-O 3.35Å; S270-Y343 WeakPolarHBondContact CB-O 3.48Å; S270-Y343 PolarHBondContact OG-N 2.91Å; S270-Y343 VanDerWaalsContact OG-N 3.11Å
271V95.5Very high94.7Very high2 Ų241.9 Ų41.91%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-109.5127.2-176.9178.80000109.3I228 F230 L257 W261 Y343 C344 Y345I228-V271 HydrophobicContact CB-CG2 4.3Å; I228-V271 HydrophobicContact CD1-CG2 4.36Å; I228-V271 CarbonylContact O-C 3.57Å; I228-V271 WeakPolarHBondContact O-CA 3.17Å; F230-V271 HydrophobicContact CB-CG1 3.65Å; L257-V271 HydrophobicContact CD1-CG1 4.23Å; W261-V271 HydrophobicContact CE3-CB 4.48Å; W261-V271 HydrophobicContact CE3-CG2 3.91Å; W261-V271 HydrophobicContact CZ3-CB 4.23Å; W261-V271 HydrophobicContact CZ3-CG2 4.03Å; V271-Y343 PolarHBondContact N-O 3.31Å; V271-C344 CarbonylContact O-C 3.6Å; V271-C344 VanDerWaalsContact O-CA 3.27Å; V271-C344 WeakPolarHBondContact O-CA 3.21Å; V271-Y345 PolarHBondContact O-N 3.45Å
272I97.3Very high94.9Very high0 Ų043 Ų430%019%0.194CC..EExtended strand (participates in β ladder)trans-96.1111.8165.6-56.2175.7000106.1A227 I228 I229 F230 F274 Y345 C364 I368 M371A227-I272 HydrophobicContact CB-CD1 4.34Å; I228-I272 PolarHBondContact O-N 3.29Å; I229-I272 CarbonylContact C-O 3.43Å; I229-I272 WeakPolarHBondContact CA-O 3.45Å; I229-I272 HydrophobicContact CG1-CB 4.35Å; F230-I272 PolarHBondContact N-O 2.83Å; I272-F274 HydrophobicContact CG2-CD1 3.84Å; I272-F274 HydrophobicContact CG2-CE1 3.43Å; I272-F274 VanDerWaalsContact CG2-CE1 3.43Å; I272-F274 HydrophobicContact CG2-CZ 4.39Å; I272-Y345 CarbonylContact C-O 3.17Å; I272-C364 HydrophobicContact CD1-CB 4.07Å; I272-C364 WeakPolarHBondContact CG2-SG 3.32Å; I272-I368 HydrophobicContact CD1-CD1 3.88Å; I272-I368 HydrophobicContact CD1-CG1 3.62Å; I272-M371 HydrophobicContact CG1-CE 4.19Å
273L98.4Very high95.1Very high0 Ų043.5 Ų43.50%019%0.194CC..EExtended strand (participates in β ladder)trans-94.5107.6-173.3169.864000109.8F230 L257 L275 F330 Y345 P346 H347F230-L273 HydrophobicContact CD1-CD1 3.7Å; F230-L273 HydrophobicContact CE1-CD1 4.48Å; F230-L273 CarbonylContact O-C 3.58Å; L257-L273 HydrophobicContact CD2-CD1 4.46Å; L273-L275 HydrophobicContact CD1-CD2 3.98Å; L273-L275 HydrophobicContact CD2-CD2 4.02Å; L273-L275 HydrophobicContact CD2-CG 4.42Å; L273-L275 HydrophobicContact CG-CD2 3.92Å; L273-L275 HydrophobicContact CG-CG 4.17Å; L273-F330 HydrophobicContact CD1-CD1 4.28Å; L273-F330 HydrophobicContact CD1-CG 4.42Å; L273-F330 HydrophobicContact CD2-CB 3.52Å; L273-F330 HydrophobicContact CD2-CG 4.21Å; L273-Y345 PolarHBondContact N-O 3.07Å; L273-P346 HydrophobicContact CD2-CB 4.29Å; L273-P346 CarbonylContact O-C 3.52Å; L273-P346 WeakPolarHBondContact O-CA 3.18Å; L273-H347 PolarHBondContact O-N 3.15Å
274F98.7Very high95.3Very high3 Ų344.1 Ų44.11%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-91.3104.1173.9-78.212.7000109.8I55 I229 F230 V231 A232 I272 N276 H347 T349 V360I55-F274 HydrophobicContact CD1-CD2 3.63Å; I55-F274 HydrophobicContact CD1-CE2 4.18Å; I55-F274 HydrophobicContact CG1-CD2 4.35Å; I55-F274 HydrophobicContact CG2-CE2 4.42Å; I229-F274 HydrophobicContact CG2-CD1 4.21Å; I229-F274 HydrophobicContact CG2-CD2 3.73Å; I229-F274 HydrophobicContact CG2-CE1 4.35Å; I229-F274 HydrophobicContact CG2-CE2 3.87Å; I229-F274 HydrophobicContact CG2-CG 3.9Å; I229-F274 HydrophobicContact CG2-CZ 4.18Å; F230-F274 PolarHBondContact O-N 3.32Å; V231-F274 WeakPolarHBondContact CA-O 3.34Å; V231-F274 HydrophobicContact CG1-CB 4.34Å; V231-F274 HydrophobicContact CG2-CB 4.3Å; A232-F274 PolarHBondContact N-O 3.29Å; I272-F274 HydrophobicContact CG2-CD1 3.84Å; I272-F274 HydrophobicContact CG2-CE1 3.43Å; I272-F274 VanDerWaalsContact CG2-CE1 3.43Å; I272-F274 HydrophobicContact CG2-CZ 4.39Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.27Å; F274-N276 VanDerWaalsContact O-N 3.12Å; F274-H347 HydrophobicContact CD1-CB 4.05Å; F274-H347 HydrophobicContact CE1-CB 4.18Å; F274-T349 HydrophobicContact CB-CG2 4.17Å; F274-T349 HydrophobicContact CD1-CG2 4.04Å; F274-T349 HydrophobicContact CD2-CG2 3.87Å; F274-T349 HydrophobicContact CE1-CG2 4.39Å; F274-T349 HydrophobicContact CE2-CG2 4.26Å; F274-T349 HydrophobicContact CG-CG2 3.77Å; F274-V360 HydrophobicContact CD1-CG1 4.34Å; F274-V360 HydrophobicContact CE1-CG1 3.52Å; F274-V360 HydrophobicContact CE2-CG1 4.43Å; F274-V360 HydrophobicContact CZ-CG1 3.59Å
275L98.7Very high95.6Very high1 Ų135.8 Ų35.81%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-81.286.1169.7-58.1174.7000107.5A232 L273 Q278 R327 F330 H347 L348 T349A232-L275 HydrophobicContact CB-CD2 4.44Å; A232-L275 CarbonylContact O-C 3.55Å; L273-L275 HydrophobicContact CD1-CD2 3.98Å; L273-L275 HydrophobicContact CD2-CD2 4.02Å; L273-L275 HydrophobicContact CD2-CG 4.42Å; L273-L275 HydrophobicContact CG-CD2 3.92Å; L273-L275 HydrophobicContact CG-CG 4.17Å; L275-Q278 WeakPolarHBondContact O-CG 3.48Å; L275-Q278 PolarHBondContact O-NE2 2.98Å; L275-R327 VanDerWaalsContact CD1-CA 3.49Å; L275-R327 HydrophobicContact CD1-CB 3.57Å; L275-R327 HydrophobicContact CD1-CG 3.87Å; L275-F330 HydrophobicContact CD2-CB 4.45Å; L275-F330 HydrophobicContact CD2-CD2 3.55Å; L275-F330 HydrophobicContact CD2-CE2 4.02Å; L275-F330 HydrophobicContact CD2-CG 4.08Å; L275-H347 PolarHBondContact N-O 3.31Å; L275-L348 HydrophobicContact CB-CD2 4.19Å; L275-L348 HydrophobicContact CD1-CD2 4.05Å; L275-T349 PolarHBondContact O-N 2.93Å; L275-T349 PolarHBondContact O-OG1 3.29Å
276N98.6Very high95.9Very high3 Ų333.6 Ų33.62%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-88.2168.4-168.8-168.233.5000113.1S50 V231 A232 F274 T349 A351S50-N276 PolarHBondContact O-ND2 2.99Å; V231-N276 HydrophobicContact CG1-CB 3.74Å; A232-N276 PolarHBondContact O-N 3.39Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.27Å; F274-N276 VanDerWaalsContact O-N 3.12Å; N276-T349 CarbonylContact C-O 3.52Å; N276-T349 VanDerWaalsContact CA-O 3.27Å; N276-T349 WeakPolarHBondContact CA-O 3.39Å; N276-T349 VanDerWaalsContact CA-OG1 3.23Å; N276-T349 WeakPolarHBondContact CA-OG1 3.49Å; N276-T349 WeakPolarHBondContact CB-OG1 3.22Å; N276-T349 PolarHBondContact N-OG1 3.28Å; N276-T349 PolarHBondContact OD1-O 3.16Å; N276-A351 WeakPolarHBondContact OD1-CB 3.39Å; N276-A351 PolarHBondContact OD1-N 2.91Å
277K98Very high96.1Very high18 Ų1836 Ų368%0.07819%0.185CC..  trans62.642.6-178.6-51-172.7-170.6172.60112.6E49 D157 A233 S235 D279 L280 L281 T349E49-K277 WeakPolarHBondContact O-CE 3.3Å; E49-K277 PolarHBondContact O-NZ 2.83Å; D157-K277 IonicContact OD1-NZ 3.14Å; D157-K277 IonicContact OD2-NZ 3.67Å; D157-K277 PolarHBondContact OD2-NZ 3.09Å; A233-K277 HydrophobicContact CB-CD 3.75Å; A233-K277 HydrophobicContact CB-CG 4.23Å; S235-K277 WeakPolarHBondContact OG-CB 3.31Å; K277-D279 VanDerWaalsContact C-OD1 3.25Å; K277-D279 VanDerWaalsContact CA-OD1 3.28Å; K277-D279 WeakPolarHBondContact CA-OD1 3.24Å; K277-D279 PolarHBondContact O-N 2.78Å; K277-L280 HydrophobicContact CB-CB 4.38Å; K277-L280 HydrophobicContact CB-CD1 4.41Å; K277-L280 HydrophobicContact CD-CD1 4.04Å; K277-L280 PolarHBondContact O-N 3.32Å; K277-L281 PolarHBondContact O-N 2.88Å; K277-T349 PolarHBondContact N-O 3.33Å; K277-T349 VanDerWaalsContact N-O 3.14Å
278Q98.2Very high96.4Very high13 Ų1331.2 Ų31.26%0.06118%0.175CC..Hα-helixtrans-62.5-28.2176.4-67.3-58.6-3700112.6L275 T282 L348 T349L275-Q278 WeakPolarHBondContact O-CG 3.48Å; L275-Q278 PolarHBondContact O-NE2 2.98Å; Q278-T282 VanDerWaalsContact O-CB 3.23Å; Q278-T282 WeakPolarHBondContact O-CB 3.45Å; Q278-T282 PolarHBondContact O-N 3.12Å; Q278-T282 PolarHBondContact O-OG1 3.37Å; Q278-L348 HydrophobicContact CG-CB 4.15Å; Q278-T349 VanDerWaalsContact CG-O 3.24Å; Q278-T349 WeakPolarHBondContact CG-O 3.45Å; Q278-T349 PolarHBondContact N-O 2.94Å
279D97.2Very high96.6Very high46 Ų4632 Ų3225%0.24617%0.172CC..Hα-helixtrans-56.8-55.1169.660-33.4000111.5R183 K277 L281 T282 E283R183-D279 IonicContact NH1-OD2 3.99Å; R183-D279 IonicContact NH2-OD2 2.66Å; R183-D279 PolarHBondContact NH2-OD2 3.39Å; K277-D279 VanDerWaalsContact C-OD1 3.25Å; K277-D279 VanDerWaalsContact CA-OD1 3.28Å; K277-D279 WeakPolarHBondContact CA-OD1 3.24Å; K277-D279 PolarHBondContact O-N 2.78Å; D279-L281 PolarHBondContact O-N 3.01Å; D279-T282 PolarHBondContact O-N 2.96Å; D279-E283 PolarHBondContact O-N 3.02Å
280L97.5Very high96.7Very high25 Ų2531.5 Ų31.513%0.13117%0.172CC..Hα-helixtrans-70.8-32-178.7-60.9-177.7000112.8D157 K277 K284D157-L280 HydrophobicContact CB-CD1 4.02Å; K277-L280 HydrophobicContact CB-CB 4.38Å; K277-L280 HydrophobicContact CB-CD1 4.41Å; K277-L280 HydrophobicContact CD-CD1 4.04Å; K277-L280 PolarHBondContact O-N 3.32Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 WeakPolarHBondContact O-CG 3.46Å; L280-K284 PolarHBondContact O-N 3.49Å; L280-K284 VanDerWaalsContact O-N 3.1Å
281L98.3Very high96.9Very high1 Ų136.2 Ų36.21%0.00519%0.191CC..Hα-helixtrans-64.5-45.4173.517862.3000110C234 Y237 K277 D279 K284 V285 R323 F326C234-L281 HydrophobicContact CB-CD2 4.11Å; Y237-L281 HydrophobicContact CD1-CD1 3.97Å; Y237-L281 HydrophobicContact CE1-CD1 3.93Å; K277-L281 PolarHBondContact O-N 2.88Å; D279-L281 PolarHBondContact O-N 3.01Å; L281-K284 PolarHBondContact O-N 2.93Å; L281-V285 HydrophobicContact CD1-CG2 4.07Å; L281-V285 HydrophobicContact CG-CG2 4.4Å; L281-V285 WeakPolarHBondContact O-CB 3.03Å; L281-V285 VanDerWaalsContact O-CG2 3.25Å; L281-V285 WeakPolarHBondContact O-CG2 3.33Å; L281-V285 PolarHBondContact O-N 3.48Å; L281-R323 HydrophobicContact CD2-CG 4.22Å; L281-F326 HydrophobicContact CD1-CD2 4.34Å; L281-F326 HydrophobicContact CD1-CE2 3.9Å; L281-F326 HydrophobicContact CD2-CD2 4.15Å
282T97.8Very high97.1Very high30 Ų3036.3 Ų36.318%0.18419%0.192CC..Hα-helixtrans-61.5-47.2179.3-60.30000110.4Q278 D279 K284 V285 L286 V319 R323Q278-T282 VanDerWaalsContact O-CB 3.23Å; Q278-T282 WeakPolarHBondContact O-CB 3.45Å; Q278-T282 PolarHBondContact O-N 3.12Å; Q278-T282 PolarHBondContact O-OG1 3.37Å; D279-T282 PolarHBondContact O-N 2.96Å; T282-K284 PolarHBondContact O-N 2.92Å; T282-V285 PolarHBondContact O-N 3.23Å; T282-L286 HydrophobicContact CG2-CD1 3.85Å; T282-L286 HydrophobicContact CG2-CG 4.37Å; T282-L286 WeakPolarHBondContact O-CB 3.49Å; T282-L286 VanDerWaalsContact O-CG 3.29Å; T282-L286 WeakPolarHBondContact O-CG 3.44Å; T282-L286 PolarHBondContact O-N 3.38Å; T282-V319 HydrophobicContact CG2-CG1 3.94Å; T282-V319 HydrophobicContact CG2-CG2 3.98Å; T282-V319 WeakPolarHBondContact OG1-CG1 3.25Å; T282-R323 PolarHBondContact OG1-NH2 3.34Å
283E96.5Very high97.1Very high98 Ų9839.8 Ų39.846%0.45821%0.208SC..Hα-helixtrans-55.5-49.9175.8-176.1179.5172.200112.2D279 V285 L286 A287D279-E283 PolarHBondContact O-N 3.02Å; E283-V285 PolarHBondContact O-N 3.45Å; E283-L286 PolarHBondContact O-N 3.35Å; E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.23Å; E283-A287 PolarHBondContact O-N 2.91Å
284K96.8Very high97.1Very high51 Ų5144.9 Ų44.922%0.22224%0.239CC..Hα-helixtrans-65.2-40.4-179-73.3-178.6177.6-174.60113.2S235 Y237 N238 L280 L281 T282 G288S235-K284 WeakPolarHBondContact O-CD 3.42Å; S235-K284 WeakPolarHBondContact O-CE 3.2Å; S235-K284 PolarHBondContact O-NZ 3.36Å; Y237-K284 HydrophobicContact CE1-CB 4.11Å; Y237-K284 HydrophobicContact CE1-CD 3.99Å; N238-K284 PolarHBondContact OD1-NZ 3.09Å; L280-K284 WeakPolarHBondContact O-CB 3.29Å; L280-K284 WeakPolarHBondContact O-CG 3.46Å; L280-K284 PolarHBondContact O-N 3.49Å; L280-K284 VanDerWaalsContact O-N 3.1Å; L281-K284 PolarHBondContact O-N 2.93Å; T282-K284 PolarHBondContact O-N 2.92Å; K284-G288 PolarHBondContact O-N 3.34Å
285V97.7Very high97Very high24 Ų2447.8 Ų47.815%0.14525%0.25CC..Hα-helixtrans-64.8-47.8178.4170.30000110.4L281 T282 E283 G288 I292 E318 V319 A322L281-V285 HydrophobicContact CD1-CG2 4.07Å; L281-V285 HydrophobicContact CG-CG2 4.4Å; L281-V285 WeakPolarHBondContact O-CB 3.03Å; L281-V285 VanDerWaalsContact O-CG2 3.25Å; L281-V285 WeakPolarHBondContact O-CG2 3.33Å; L281-V285 PolarHBondContact O-N 3.48Å; T282-V285 PolarHBondContact O-N 3.23Å; E283-V285 PolarHBondContact O-N 3.45Å; V285-G288 PolarHBondContact O-N 3.49Å; V285-I292 HydrophobicContact CG2-CD1 4.01Å; V285-E318 HydrophobicContact CG1-CB 3.96Å; V285-V319 HydrophobicContact CB-CG2 4.38Å; V285-V319 HydrophobicContact CG1-CG2 4.01Å; V285-A322 HydrophobicContact CG2-CB 3.67Å
286L97.6Very high97Very high102 Ų10248.3 Ų48.353%0.53425%0.252SS..Hα-helixtrans-67.3-36.7180-67178.7000112.6T282 E283 G288 N316 V319T282-L286 HydrophobicContact CG2-CD1 3.85Å; T282-L286 HydrophobicContact CG2-CG 4.37Å; T282-L286 WeakPolarHBondContact O-CB 3.49Å; T282-L286 VanDerWaalsContact O-CG 3.29Å; T282-L286 WeakPolarHBondContact O-CG 3.44Å; T282-L286 PolarHBondContact O-N 3.38Å; E283-L286 PolarHBondContact O-N 3.35Å; L286-G288 PolarHBondContact O-N 2.96Å; L286-N316 HydrophobicContact CD2-CB 4.07Å; L286-V319 HydrophobicContact CD1-CG2 4.45Å; L286-V319 HydrophobicContact CD2-CG2 3.69Å; L286-V319 HydrophobicContact CG-CG2 3.84Å
287A95.6Very high97Very high53 Ų5352.3 Ų52.344%0.43828%0.279SS..Hα-helixtrans-63.2-28.517500000112.2E283 K289E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.23Å; E283-A287 PolarHBondContact O-N 2.91Å; A287-K289 HydrophobicContact CB-CG 4.34Å; A287-K289 PolarHBondContact O-N 2.93Å
288G94.3Very high96.9Very high25 Ų2558 Ų5826%0.25831%0.305SS..  trans674.6173.800000115.7K284 V285 L286 K291K284-G288 PolarHBondContact O-N 3.34Å; V285-G288 PolarHBondContact O-N 3.49Å; L286-G288 PolarHBondContact O-N 2.96Å; G288-K291 VanDerWaalsContact O-CE 3.22Å; G288-K291 WeakPolarHBondContact O-CE 3.25Å; G288-K291 PolarHBondContact O-NZ 3.22Å
289K92.3Very high96.9Very high139 Ų13957.8 Ų57.860%0.60430%0.304SS*.SBendtrans-73.3-36.6-174.9-61.9-177.8-177.3177.90113.5E148 A287E148-K289 IonicContact OE1-NZ 2.62Å; E148-K289 IonicContact OE2-NZ 2.76Å; E148-K289 PolarHBondContact OE2-NZ 3.01Å; A287-K289 HydrophobicContact CB-CG 4.34Å; A287-K289 PolarHBondContact O-N 2.93Å
290S93.9Very high96.9Very high20 Ų2058.4 Ų58.414%0.1432%0.315CS..SBendtrans-122.197.5-178.9178.40000109.9Y237 N238 Y295Y237-S290 WeakPolarHBondContact CE2-O 3.44Å; Y237-S290 PolarHBondContact OH-O 3.42Å; N238-S290 WeakPolarHBondContact CB-OG 3.4Å; N238-S290 VanDerWaalsContact ND2-CB 3.34Å; N238-S290 WeakPolarHBondContact ND2-CB 3.29Å; N238-S290 PolarHBondContact ND2-OG 3.42Å; S290-Y295 WeakPolarHBondContact OG-CE2 3.36Å
291K96.5Very high96.9Very high106 Ų10662.8 Ų62.846%0.46134%0.343SS..  trans-67.6135.8-177.1-62.3-59-177.4-174.80112G288 E293 V294 Y295G288-K291 VanDerWaalsContact O-CE 3.22Å; G288-K291 WeakPolarHBondContact O-CE 3.25Å; G288-K291 PolarHBondContact O-NZ 3.22Å; K291-E293 VanDerWaalsContact C-N 3.32Å; K291-E293 HydrophobicContact CB-CG 4.23Å; K291-E293 PolarHBondContact O-N 3.41Å; K291-V294 HydrophobicContact CB-CG2 4.06Å; K291-V294 PolarHBondContact O-N 3.04Å; K291-Y295 WeakPolarHBondContact O-CD2 3.27Å
292I98.4Very high96.8Very high5 Ų564.1 Ų64.13%0.02635%0.348CS..G310 helixtrans-66.4-38.8-176.8-68.6168.9000110.2Y237 V285 V294 Y295 F296 Y299 A322 F325 F326Y237-I292 HydrophobicContact CD1-CG1 4.36Å; Y237-I292 HydrophobicContact CD2-CB 4.45Å; Y237-I292 HydrophobicContact CD2-CG1 3.91Å; Y237-I292 HydrophobicContact CE1-CG1 4.16Å; Y237-I292 HydrophobicContact CE2-CB 4.4Å; Y237-I292 HydrophobicContact CE2-CG1 3.67Å; Y237-I292 HydrophobicContact CG-CG1 4.26Å; V285-I292 HydrophobicContact CG2-CD1 4.01Å; I292-V294 PolarHBondContact O-N 3.45Å; I292-V294 VanDerWaalsContact O-N 3.14Å; I292-Y295 PolarHBondContact O-N 3.36Å; I292-F296 HydrophobicContact CG2-CB 4.16Å; I292-F296 HydrophobicContact CG2-CD2 4.47Å; I292-F296 PolarHBondContact O-N 3.2Å; I292-Y299 HydrophobicContact CB-CD1 3.62Å; I292-Y299 HydrophobicContact CB-CD2 4.48Å; I292-Y299 HydrophobicContact CB-CE1 3.95Å; I292-Y299 HydrophobicContact CB-CG 3.91Å; I292-Y299 HydrophobicContact CD1-CE1 4.15Å; I292-Y299 HydrophobicContact CD1-CE2 4.23Å; I292-Y299 HydrophobicContact CG2-CD1 3.84Å; I292-Y299 HydrophobicContact CG2-CD2 3.96Å; I292-Y299 HydrophobicContact CG2-CE1 4.45Å; I292-Y299 HydrophobicContact CG2-CG 3.55Å; I292-A322 HydrophobicContact CD1-CB 3.59Å; I292-F325 HydrophobicContact CG2-CD1 4.34Å; I292-F325 HydrophobicContact CG2-CE1 4.19Å; I292-F326 HydrophobicContact CD1-CE2 3.97Å; I292-F326 HydrophobicContact CD1-CZ 4.38Å; I292-F326 HydrophobicContact CG1-CZ 4.48Å; I292-F326 HydrophobicContact CG2-CE2 4.47Å; I292-F326 HydrophobicContact CG2-CZ 3.91Å
293E97.8Very high96.6Very high72 Ų7270.8 Ų70.834%0.33638%0.377SS..G310 helixtrans-61-20.1-179.160.5-89.2-153.500114.4K291 Y295 F296 P297 Y299 A300K291-E293 VanDerWaalsContact C-N 3.32Å; K291-E293 HydrophobicContact CB-CG 4.23Å; K291-E293 PolarHBondContact O-N 3.41Å; E293-Y295 VanDerWaalsContact C-N 3.29Å; E293-Y295 PolarHBondContact O-N 3.41Å; E293-F296 WeakPolarHBondContact CA-O 3.38Å; E293-P297 VanDerWaalsContact O-CA 3.31Å; E293-P297 WeakPolarHBondContact O-CA 3.42Å; E293-Y299 HydrophobicContact CB-CD1 4.35Å; E293-Y299 WeakPolarHBondContact OE2-CD1 3.25Å; E293-A300 HydrophobicContact CB-CB 4.02Å
294V97.6Very high96.4Very high107 Ų10766.6 Ų66.665%0.64836%0.36SS*.G310 helixtrans-66.2-34.1172173.40000111.3K291 I292K291-V294 HydrophobicContact CB-CG2 4.06Å; K291-V294 PolarHBondContact O-N 3.04Å; I292-V294 PolarHBondContact O-N 3.45Å; I292-V294 VanDerWaalsContact O-N 3.14Å
295Y97.9Very high96Very high64 Ų6466.8 Ų66.825%0.25137%0.366SS..THydrogen-bonded Turntrans-102.1-30.1-176.2-56.4-89.6000112.3Y237 N238 K251 S290 K291 I292 E293Y237-Y295 HydrophobicContact CD2-CD2 4.08Å; Y237-Y295 HydrophobicContact CE2-CD2 4.38Å; Y237-Y295 WeakPolarHBondContact O-CB 3.31Å; N238-Y295 HydrophobicContact CB-CD2 4.11Å; N238-Y295 HydrophobicContact CB-CE1 4.14Å; N238-Y295 HydrophobicContact CB-CE2 3.53Å; K251-Y295 PolarHBondContact NZ-O 2.83Å; S290-Y295 WeakPolarHBondContact OG-CE2 3.36Å; K291-Y295 WeakPolarHBondContact O-CD2 3.27Å; I292-Y295 PolarHBondContact O-N 3.36Å; E293-Y295 VanDerWaalsContact C-N 3.29Å; E293-Y295 PolarHBondContact O-N 3.41Å
296F98.3Very high95.4Very high13 Ų1369.3 Ų69.36%0.05739%0.389CS..  trans-129.980.7-179.4-68.4-91.9000109.8V250 K251 L254 I292 E293 H298 Y299 F325 F326V250-F296 HydrophobicContact CB-CE2 4.18Å; V250-F296 HydrophobicContact CB-CZ 3.7Å; V250-F296 HydrophobicContact CG1-CE1 4.18Å; V250-F296 HydrophobicContact CG1-CE2 4.29Å; V250-F296 HydrophobicContact CG1-CZ 3.58Å; K251-F296 HydrophobicContact CG-CE1 4.1Å; K251-F296 HydrophobicContact CG-CZ 3.92Å; L254-F296 HydrophobicContact CD1-CE1 4.34Å; I292-F296 HydrophobicContact CG2-CB 4.16Å; I292-F296 HydrophobicContact CG2-CD2 4.47Å; I292-F296 PolarHBondContact O-N 3.2Å; E293-F296 WeakPolarHBondContact CA-O 3.38Å; F296-H298 PolarHBondContact O-N 3.01Å; F296-Y299 WeakPolarHBondContact O-CB 3.41Å; F296-Y299 PolarHBondContact O-N 3.27Å; F296-F325 HydrophobicContact CB-CE1 3.77Å; F296-F325 HydrophobicContact CB-CZ 3.73Å; F296-F325 HydrophobicContact CD1-CE1 4.16Å; F296-F325 HydrophobicContact CD1-CZ 4.21Å; F296-F325 HydrophobicContact CG-CE1 4Å; F296-F325 HydrophobicContact CG-CZ 4.23Å; F296-F326 HydrophobicContact CD2-CE1 4.14Å; F296-F326 HydrophobicContact CE2-CE1 4.1Å; F296-F326 HydrophobicContact CG-CE1 4.48Å; F296-F326 HydrophobicContact CZ-CE1 4.37Å
297P98.1Very high95Very high87 Ų8771 Ų7157%0.56540%0.399SS*.G310 helixtrans-53.1-33.5-172.1-30.637000115.2E293 Y299 A300E293-P297 VanDerWaalsContact O-CA 3.31Å; E293-P297 WeakPolarHBondContact O-CA 3.42Å; P297-Y299 PolarHBondContact O-N 3.1Å; P297-Y299 VanDerWaalsContact O-N 3.15Å; P297-A300 WeakPolarHBondContact O-CB 3.49Å; P297-A300 PolarHBondContact O-N 2.96Å; P297-A300 VanDerWaalsContact O-N 3.15Å
298H96.6Very high94.4Very high137 Ų13769.1 Ų69.163%0.63438%0.382SS*.G310 helixtrans-64-16.6177.3-60.9-53.5000114.3F296 A300 T301 Y302F296-H298 PolarHBondContact O-N 3.01Å; H298-A300 PolarHBondContact O-N 2.74Å; H298-T301 PolarHBondContact O-N 2.78Å; H298-T301 PolarHBondContact O-OG1 2.97Å; H298-Y302 PolarHBondContact O-N 3.48Å
299Y98.1Very high93.9Very high8 Ų871.5 Ų71.53%0.03139%0.388CS..G310 helixtrans-60.1-36173.1-176.2-108.6000111.9I292 E293 F296 P297 T301 Y302 R321 A322 F325I292-Y299 HydrophobicContact CB-CD1 3.62Å; I292-Y299 HydrophobicContact CB-CD2 4.48Å; I292-Y299 HydrophobicContact CB-CE1 3.95Å; I292-Y299 HydrophobicContact CB-CG 3.91Å; I292-Y299 HydrophobicContact CD1-CE1 4.15Å; I292-Y299 HydrophobicContact CD1-CE2 4.23Å; I292-Y299 HydrophobicContact CG2-CD1 3.84Å; I292-Y299 HydrophobicContact CG2-CD2 3.96Å; I292-Y299 HydrophobicContact CG2-CE1 4.45Å; I292-Y299 HydrophobicContact CG2-CG 3.55Å; E293-Y299 HydrophobicContact CB-CD1 4.35Å; E293-Y299 WeakPolarHBondContact OE2-CD1 3.25Å; F296-Y299 WeakPolarHBondContact O-CB 3.41Å; F296-Y299 PolarHBondContact O-N 3.27Å; P297-Y299 PolarHBondContact O-N 3.1Å; P297-Y299 VanDerWaalsContact O-N 3.15Å; Y299-T301 PolarHBondContact O-N 2.66Å; Y299-T301 VanDerWaalsContact O-N 3.13Å; Y299-Y302 WeakPolarHBondContact O-CB 3.34Å; Y299-Y302 PolarHBondContact O-N 3.28Å; Y299-R321 HydrophobicContact CE2-CG 4.01Å; Y299-R321 PolarHBondContact O-NH2 3.27Å; Y299-A322 HydrophobicContact CE2-CB 4.4Å; Y299-A322 PolarHBondContact OH-N 3.07Å; Y299-F325 HydrophobicContact CD2-CB 3.7Å; Y299-F325 AromaticContact CD2-CD1 3.69Å; Y299-F325 HydrophobicContact CD2-CD1 3.69Å; Y299-F325 AromaticContact CD2-CD2 3.86Å; Y299-F325 HydrophobicContact CD2-CD2 3.86Å; Y299-F325 HydrophobicContact CD2-CE1 4.3Å; Y299-F325 HydrophobicContact CD2-CE2 4.43Å; Y299-F325 AromaticContact CD2-CG 3.45Å; Y299-F325 HydrophobicContact CD2-CG 3.45Å; Y299-F325 VanDerWaalsContact CD2-CG 3.45Å; Y299-F325 HydrophobicContact CE2-CB 3.85Å; Y299-F325 HydrophobicContact CE2-CD1 4.42Å; Y299-F325 HydrophobicContact CE2-CG 4.11Å; Y299-F325 HydrophobicContact CG-CD1 4.47Å; Y299-F325 HydrophobicContact CG-CG 4.47Å
300A97.1Very high93.7Very high59 Ų5968 Ų6849%0.48839%0.385SS..G310 helixtrans-54.4-37.9-176.900000112.7E293 P297 H298 R321E293-A300 HydrophobicContact CB-CB 4.02Å; P297-A300 WeakPolarHBondContact O-CB 3.49Å; P297-A300 PolarHBondContact O-N 2.96Å; P297-A300 VanDerWaalsContact O-N 3.15Å; H298-A300 PolarHBondContact O-N 2.74Å; A300-R321 PolarHBondContact O-NH2 3.36Å; A300-R321 VanDerWaalsContact O-NH2 3.11Å
301T96.7Very high93.4Very high118 Ų11873.7 Ų73.772%0.72441%0.41SS*.G310 helixtrans-102.1-1.1179.857.80000113.6H298 Y299H298-T301 PolarHBondContact O-N 2.78Å; H298-T301 PolarHBondContact O-OG1 2.97Å; Y299-T301 PolarHBondContact O-N 2.66Å; Y299-T301 VanDerWaalsContact O-N 3.13Å
302Y97.3Very high93.2Very high29 Ų2971.3 Ų71.311%0.11440%0.398CS..  trans-70.5132.2-178.5177.4-94.7000111.3H298 Y299 A304 R321 F324 F325 D328H298-Y302 PolarHBondContact O-N 3.48Å; Y299-Y302 WeakPolarHBondContact O-CB 3.34Å; Y299-Y302 PolarHBondContact O-N 3.28Å; Y302-A304 HydrophobicContact CE1-CB 4.21Å; Y302-R321 HydrophobicContact CD1-CG 3.96Å; Y302-R321 HydrophobicContact CE1-CG 4.34Å; Y302-R321 WeakPolarHBondContact CE1-O 3.44Å; Y302-R321 PolarHBondContact O-NE 3.03Å; Y302-R321 PolarHBondContact O-NH2 2.66Å; Y302-F324 WeakPolarHBondContact OH-CB 3.42Å; Y302-F324 PolarHBondContact OH-O 3.07Å; Y302-F325 HydrophobicContact CD1-CB 3.69Å; Y302-F325 HydrophobicContact CD1-CD2 4.13Å; Y302-F325 HydrophobicContact CD1-CG 4.39Å; Y302-F325 AromaticContact CD2-CD2 3.82Å; Y302-F325 HydrophobicContact CD2-CD2 3.82Å; Y302-F325 HydrophobicContact CE1-CB 3.74Å; Y302-F325 HydrophobicContact CE2-CD2 4.4Å; Y302-F325 HydrophobicContact CG-CB 4.12Å; Y302-F325 AromaticContact CG-CD2 3.66Å; Y302-F325 HydrophobicContact CG-CD2 3.66Å; Y302-F325 HydrophobicContact CG-CG 4.36Å; Y302-F325 PolarHBondContact OH-N 3.17Å; Y302-D328 HydrophobicContact CE2-CB 4.34Å; Y302-D328 WeakPolarHBondContact CE2-OD2 3.3Å; Y302-D328 PolarHBondContact OH-OD2 2.96Å
303Q94.2Very high92.6Very high169 Ų16980 Ų8079%0.7943%0.431SS*.  trans-118.8130.3170.4-63.3-176.56.300108.9
304A90.8Very high92.3Very high11 Ų1184.3 Ų84.39%0.09145%0.45CS..  trans-68.2148.2172.300000110.1Y302 L309 F324Y302-A304 HydrophobicContact CE1-CB 4.21Å; A304-L309 HydrophobicContact CB-CD2 4.11Å; A304-L309 HydrophobicContact CB-CG 4.22Å; A304-F324 HydrophobicContact CB-CB 4.27Å
305P88.3Confident92.1Very high55 Ų5583 Ų8336%0.35744%0.437SS..  trans-54.6140.9175.8-25.334.4000112.3D307 T308 L309P305-D307 VanDerWaalsContact C-N 3.3Å; P305-D307 PolarHBondContact O-N 3.13Å; P305-T308 VanDerWaalsContact O-CB 3.3Å; P305-T308 WeakPolarHBondContact O-CB 3.47Å; P305-T308 PolarHBondContact O-N 3Å; P305-T308 VanDerWaalsContact O-N 3.09Å; P305-L309 PolarHBondContact O-N 3.04Å; P305-L309 VanDerWaalsContact O-N 3.15Å
306A86.8Confident91.9Very high76 Ų7683.7 Ų83.763%0.62845%0.445SS*.Hα-helixtrans-57.9-40.9-17700000112.8T308 L309 A310A306-T308 VanDerWaalsContact C-N 3.28Å; A306-T308 PolarHBondContact O-N 3.49Å; A306-L309 PolarHBondContact O-N 3.48Å; A306-L309 VanDerWaalsContact O-N 3.12Å; A306-A310 PolarHBondContact O-N 3.37Å; A306-A310 VanDerWaalsContact O-N 3.07Å
307D88.1Confident91.7Very high139 Ų13986.5 Ų86.574%0.74347%0.467SS*.Hα-helixtrans-61.7-37.9178.3-60.7-21000112P305 A310 E311P305-D307 VanDerWaalsContact C-N 3.3Å; P305-D307 PolarHBondContact O-N 3.13Å; D307-A310 PolarHBondContact O-N 2.89Å; D307-E311 PolarHBondContact O-N 3.45Å; D307-E311 VanDerWaalsContact O-N 3.09Å
308T84.4Confident91.5Very high13 Ų1386.2 Ų86.28%0.0846%0.458CS..Hα-helixtrans-64-45.3173.9-68.60000111.2P305 A306 A310 E311 Y312 V320 F324P305-T308 VanDerWaalsContact O-CB 3.3Å; P305-T308 WeakPolarHBondContact O-CB 3.47Å; P305-T308 PolarHBondContact O-N 3Å; P305-T308 VanDerWaalsContact O-N 3.09Å; A306-T308 VanDerWaalsContact C-N 3.28Å; A306-T308 PolarHBondContact O-N 3.49Å; T308-A310 PolarHBondContact O-N 3.05Å; T308-E311 PolarHBondContact O-N 3.37Å; T308-Y312 HydrophobicContact CG2-CD2 4.05Å; T308-Y312 HydrophobicContact CG2-CE2 4.49Å; T308-Y312 VanDerWaalsContact O-CD2 3.31Å; T308-Y312 WeakPolarHBondContact O-CD2 3.48Å; T308-Y312 PolarHBondContact O-N 3Å; T308-V320 HydrophobicContact CG2-CG1 4.03Å; T308-F324 HydrophobicContact CG2-CD1 3.45Å; T308-F324 VanDerWaalsContact CG2-CD1 3.45Å; T308-F324 HydrophobicContact CG2-CD2 3.54Å; T308-F324 HydrophobicContact CG2-CE1 3.22Å; T308-F324 HydrophobicContact CG2-CE2 3.31Å; T308-F324 HydrophobicContact CG2-CG 3.63Å; T308-F324 HydrophobicContact CG2-CZ 3.18Å; T308-F324 WeakPolarHBondContact OG1-CE1 3.28Å
309L83.2Confident91.5Very high74 Ų7479.8 Ų79.839%0.38743%0.428SS..Hα-helixtrans-62.1-33.4179-67.1172.7000111.7A304 P305 A306 Y312 R313 V320A304-L309 HydrophobicContact CB-CD2 4.11Å; A304-L309 HydrophobicContact CB-CG 4.22Å; P305-L309 PolarHBondContact O-N 3.04Å; P305-L309 VanDerWaalsContact O-N 3.15Å; A306-L309 PolarHBondContact O-N 3.48Å; A306-L309 VanDerWaalsContact O-N 3.12Å; L309-Y312 CarbonylContact O-C 3.17Å; L309-R313 WeakPolarHBondContact O-CA 3.28Å; L309-R313 PolarHBondContact O-N 3.29Å; L309-R313 VanDerWaalsContact O-N 3.16Å; L309-V320 HydrophobicContact CD2-CG1 4.04Å
310A86.9Confident91.4Very high65 Ų6579.5 Ų79.554%0.53743%0.427SS..Hα-helixtrans-68.3-43175.400000112.8A306 D307 T308 Y312 R313A306-A310 PolarHBondContact O-N 3.37Å; A306-A310 VanDerWaalsContact O-N 3.07Å; D307-A310 PolarHBondContact O-N 2.89Å; T308-A310 PolarHBondContact O-N 3.05Å; A310-Y312 VanDerWaalsContact C-N 3.33Å; A310-Y312 PolarHBondContact O-N 3.5Å; A310-R313 WeakPolarHBondContact O-CB 3.31Å; A310-R313 PolarHBondContact O-N 2.98Å
311E89.3Confident91.4Very high140 Ų14079.2 Ų79.265%0.65441%0.414SS*.Hα-helixtrans-61.9-40.5176.2-174-173.2171.500111.6D307 T308D307-E311 PolarHBondContact O-N 3.45Å; D307-E311 VanDerWaalsContact O-N 3.09Å; T308-E311 PolarHBondContact O-N 3.37Å
312Y90.5Very high91.5Very high56 Ų5673.6 Ų73.622%0.2238%0.379CS..THydrogen-bonded Turntrans-99.624.5-176.6-67.3-94.9000113.6T308 L309 A310 H314 E315 V320 F324T308-Y312 HydrophobicContact CG2-CD2 4.05Å; T308-Y312 HydrophobicContact CG2-CE2 4.49Å; T308-Y312 VanDerWaalsContact O-CD2 3.31Å; T308-Y312 WeakPolarHBondContact O-CD2 3.48Å; T308-Y312 PolarHBondContact O-N 3Å; L309-Y312 CarbonylContact O-C 3.17Å; A310-Y312 VanDerWaalsContact C-N 3.33Å; A310-Y312 PolarHBondContact O-N 3.5Å; Y312-H314 PolarHBondContact O-N 3.46Å; Y312-E315 VanDerWaalsContact CD1-OE1 3.25Å; Y312-E315 WeakPolarHBondContact CD1-OE1 3.42Å; Y312-E315 PolarHBondContact O-N 3.49Å; Y312-V320 HydrophobicContact CG-CG1 4.36Å; Y312-V320 HydrophobicContact CG-CG2 4.3Å; Y312-F324 HydrophobicContact CD2-CE2 4.05Å; Y312-F324 HydrophobicContact CD2-CZ 4Å; Y312-F324 AromaticContact CE2-CE2 3.92Å; Y312-F324 HydrophobicContact CE2-CE2 3.92Å; Y312-F324 AromaticContact CE2-CZ 3.53Å; Y312-F324 HydrophobicContact CE2-CZ 3.53Å
313R87.6Confident91.5Very high189 Ų18973.6 Ų73.671%0.71338%0.379SS*.THydrogen-bonded Turntrans-56.8-20.7-174.870.4-176.2-173.7-167.1-1.5115.7L309 A310L309-R313 WeakPolarHBondContact O-CA 3.28Å; L309-R313 PolarHBondContact O-N 3.29Å; L309-R313 VanDerWaalsContact O-N 3.16Å; A310-R313 WeakPolarHBondContact O-CB 3.31Å; A310-R313 PolarHBondContact O-N 2.98Å
314H91.4Very high91.6Very high161 Ų16165.9 Ų65.975%0.74534%0.343SS*.THydrogen-bonded Turntrans-91.3-4.5179.8-62.9-63.6000113.1Y312Y312-H314 PolarHBondContact O-N 3.46Å
315E92.4Very high91.9Very high79 Ų7965.5 Ų65.537%0.36934%0.339SS..SBendtrans-100.9162.3176.9-65.1-159-129.800111.8Y312 S317 V320 R323Y312-E315 VanDerWaalsContact CD1-OE1 3.25Å; Y312-E315 WeakPolarHBondContact CD1-OE1 3.42Å; Y312-E315 PolarHBondContact O-N 3.49Å; E315-S317 PolarHBondContact O-N 3.05Å; E315-V320 HydrophobicContact CB-CG2 3.79Å; E315-R323 VanDerWaalsContact CD-NH1 3.28Å; E315-R323 IonicContact OE1-NH1 3.18Å; E315-R323 PolarHBondContact OE1-NH1 3.11Å; E315-R323 IonicContact OE2-CZ 2.68Å; E315-R323 IonicContact OE2-NH1 3.15Å; E315-R323 PolarHBondContact OE2-NH1 2.99Å; E315-R323 IonicContact OE2-NH2 3.86Å; E315-R323 PolarHBondContact OE2-NH2 3.21Å
316N94.5Very high92.4Very high79 Ų7962.9 Ų62.942%0.42232%0.322SS..  trans-64.1126.3176-178.2-69.9000110.6L286 E318 V319 V320L286-N316 HydrophobicContact CD2-CB 4.07Å; N316-E318 VanDerWaalsContact C-N 3.3Å; N316-E318 PolarHBondContact O-N 3.23Å; N316-E318 WeakPolarHBondContact OD1-CB 3.48Å; N316-E318 PolarHBondContact OD1-N 3.49Å; N316-V319 HydrophobicContact CB-CB 4.2Å; N316-V319 HydrophobicContact CB-CG2 3.87Å; N316-V319 WeakPolarHBondContact O-CB 3.39Å; N316-V319 PolarHBondContact O-N 3.09Å; N316-V319 PolarHBondContact OD1-N 2.79Å; N316-V320 WeakPolarHBondContact O-CG2 3.25Å; N316-V320 PolarHBondContact O-N 2.87Å
317S93.2Very high93Very high73 Ų7361.9 Ų61.951%0.5130%0.302SS..Hα-helixtrans-60.1-34.9-174.458.20000113.9E315 V320 R321E315-S317 PolarHBondContact O-N 3.05Å; S317-V320 PolarHBondContact O-N 2.69Å; S317-R321 VanDerWaalsContact O-CB 3.25Å; S317-R321 WeakPolarHBondContact O-CB 3.23Å; S317-R321 PolarHBondContact O-N 3.46Å
318E94.6Very high93.4Very high81 Ų8156.8 Ų56.838%0.37928%0.275SS..Hα-helixtrans-71.2-34.9177.1-67.1-54.7127.400111.7V285 N316 R321 A322V285-E318 HydrophobicContact CG1-CB 3.96Å; N316-E318 VanDerWaalsContact C-N 3.3Å; N316-E318 PolarHBondContact O-N 3.23Å; N316-E318 WeakPolarHBondContact OD1-CB 3.48Å; N316-E318 PolarHBondContact OD1-N 3.49Å; E318-R321 PolarHBondContact O-N 2.86Å; E318-R321 IonicContact OE2-NH1 3.46Å; E318-R321 PolarHBondContact OE2-NH1 3.29Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 3.12Å
319V96.5Very high94Very high2 Ų257.7 Ų57.71%0.01228%0.278CS..Hα-helixtrans-65.8-48.3174.41770000109.8T282 V285 L286 N316 R321 A322 R323T282-V319 HydrophobicContact CG2-CG1 3.94Å; T282-V319 HydrophobicContact CG2-CG2 3.98Å; T282-V319 WeakPolarHBondContact OG1-CG1 3.25Å; V285-V319 HydrophobicContact CB-CG2 4.38Å; V285-V319 HydrophobicContact CG1-CG2 4.01Å; L286-V319 HydrophobicContact CD1-CG2 4.45Å; L286-V319 HydrophobicContact CD2-CG2 3.69Å; L286-V319 HydrophobicContact CG-CG2 3.84Å; N316-V319 HydrophobicContact CB-CB 4.2Å; N316-V319 HydrophobicContact CB-CG2 3.87Å; N316-V319 WeakPolarHBondContact O-CB 3.39Å; N316-V319 PolarHBondContact O-N 3.09Å; N316-V319 PolarHBondContact OD1-N 2.79Å; V319-R321 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 3.22Å; V319-A322 PolarHBondContact O-N 2.77Å; V319-R323 VanDerWaalsContact O-CG 3.26Å; V319-R323 WeakPolarHBondContact O-CG 3.27Å; V319-R323 PolarHBondContact O-N 3.1Å
320V96.4Very high94.8Very high2 Ų254.2 Ų54.21%0.01226%0.26CS..Hα-helixtrans-57.4-49.9175.1179.20000109.8T308 L309 Y312 E315 N316 S317 A322 R323 F324T308-V320 HydrophobicContact CG2-CG1 4.03Å; L309-V320 HydrophobicContact CD2-CG1 4.04Å; Y312-V320 HydrophobicContact CG-CG1 4.36Å; Y312-V320 HydrophobicContact CG-CG2 4.3Å; E315-V320 HydrophobicContact CB-CG2 3.79Å; N316-V320 WeakPolarHBondContact O-CG2 3.25Å; N316-V320 PolarHBondContact O-N 2.87Å; S317-V320 PolarHBondContact O-N 2.69Å; V320-A322 VanDerWaalsContact C-N 3.34Å; V320-A322 PolarHBondContact O-N 3.06Å; V320-R323 WeakPolarHBondContact O-CB 3.42Å; V320-R323 PolarHBondContact O-N 3.24Å; V320-R323 VanDerWaalsContact O-N 3.16Å; V320-F324 HydrophobicContact CG1-CD2 3.81Å; V320-F324 HydrophobicContact CG1-CE2 3.96Å; V320-F324 VanDerWaalsContact O-CD2 3.24Å; V320-F324 WeakPolarHBondContact O-CD2 3.33Å; V320-F324 PolarHBondContact O-N 3.09Å
321R96.4Very high95.2Very high53 Ų5353.3 Ų53.320%0.225%0.246CC..Hα-helixtrans-55.3-46.1178-175.5-178.8168.3-144.51.4112.8Y299 A300 Y302 S317 E318 V319 F325Y299-R321 HydrophobicContact CE2-CG 4.01Å; Y299-R321 PolarHBondContact O-NH2 3.27Å; A300-R321 PolarHBondContact O-NH2 3.36Å; A300-R321 VanDerWaalsContact O-NH2 3.11Å; Y302-R321 HydrophobicContact CD1-CG 3.96Å; Y302-R321 HydrophobicContact CE1-CG 4.34Å; Y302-R321 WeakPolarHBondContact CE1-O 3.44Å; Y302-R321 PolarHBondContact O-NE 3.03Å; Y302-R321 PolarHBondContact O-NH2 2.66Å; S317-R321 VanDerWaalsContact O-CB 3.25Å; S317-R321 WeakPolarHBondContact O-CB 3.23Å; S317-R321 PolarHBondContact O-N 3.46Å; E318-R321 PolarHBondContact O-N 2.86Å; E318-R321 IonicContact OE2-NH1 3.46Å; E318-R321 PolarHBondContact OE2-NH1 3.29Å; V319-R321 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 3.22Å; R321-F325 WeakPolarHBondContact O-CB 3.19Å; R321-F325 PolarHBondContact O-N 3.32Å
322A98Very high95.5Very high0 Ų052.4 Ų52.40%024%0.24CC..Hα-helixtrans-62.3-44177.100000112.9V285 I292 Y299 E318 V319 V320 F324 F325 F326V285-A322 HydrophobicContact CG2-CB 3.67Å; I292-A322 HydrophobicContact CD1-CB 3.59Å; Y299-A322 HydrophobicContact CE2-CB 4.4Å; Y299-A322 PolarHBondContact OH-N 3.07Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 3.12Å; V319-A322 PolarHBondContact O-N 2.77Å; V320-A322 VanDerWaalsContact C-N 3.34Å; V320-A322 PolarHBondContact O-N 3.06Å; A322-F324 PolarHBondContact O-N 3.35Å; A322-F325 PolarHBondContact O-N 3.11Å; A322-F326 WeakPolarHBondContact O-CD2 3.42Å; A322-F326 PolarHBondContact O-N 3.15Å
323R97.4Very high95.7Very high28 Ų2851.6 Ų51.611%0.10624%0.24CC..Hα-helixtrans-58.6-48.6178.6-71.3-177.3-177.5159.910111.9L281 T282 E315 V319 V320 R327 L348L281-R323 HydrophobicContact CD2-CG 4.22Å; T282-R323 PolarHBondContact OG1-NH2 3.34Å; E315-R323 VanDerWaalsContact CD-NH1 3.28Å; E315-R323 IonicContact OE1-NH1 3.18Å; E315-R323 PolarHBondContact OE1-NH1 3.11Å; E315-R323 IonicContact OE2-CZ 2.68Å; E315-R323 IonicContact OE2-NH1 3.15Å; E315-R323 PolarHBondContact OE2-NH1 2.99Å; E315-R323 IonicContact OE2-NH2 3.86Å; E315-R323 PolarHBondContact OE2-NH2 3.21Å; V319-R323 VanDerWaalsContact O-CG 3.26Å; V319-R323 WeakPolarHBondContact O-CG 3.27Å; V319-R323 PolarHBondContact O-N 3.1Å; V320-R323 WeakPolarHBondContact O-CB 3.42Å; V320-R323 PolarHBondContact O-N 3.24Å; V320-R323 VanDerWaalsContact O-N 3.16Å; R323-R327 WeakPolarHBondContact O-CB 3.48Å; R323-R327 PolarHBondContact O-N 3.4Å; R323-L348 HydrophobicContact CB-CD1 4.45Å; R323-L348 HydrophobicContact CB-CD2 4.12Å; R323-L348 HydrophobicContact CG-CD2 4.46Å
324F96.9Very high96Very high8 Ų843 Ų434%0.03521%0.209CC..Hα-helixtrans-76.8-30.4-175.6-76.1-97.1000112.2Y302 A304 T308 Y312 V320 A322 R327 D328 L348Y302-F324 WeakPolarHBondContact OH-CB 3.42Å; Y302-F324 PolarHBondContact OH-O 3.07Å; A304-F324 HydrophobicContact CB-CB 4.27Å; T308-F324 HydrophobicContact CG2-CD1 3.45Å; T308-F324 VanDerWaalsContact CG2-CD1 3.45Å; T308-F324 HydrophobicContact CG2-CD2 3.54Å; T308-F324 HydrophobicContact CG2-CE1 3.22Å; T308-F324 HydrophobicContact CG2-CE2 3.31Å; T308-F324 HydrophobicContact CG2-CG 3.63Å; T308-F324 HydrophobicContact CG2-CZ 3.18Å; T308-F324 WeakPolarHBondContact OG1-CE1 3.28Å; Y312-F324 HydrophobicContact CD2-CE2 4.05Å; Y312-F324 HydrophobicContact CD2-CZ 4Å; Y312-F324 AromaticContact CE2-CE2 3.92Å; Y312-F324 HydrophobicContact CE2-CE2 3.92Å; Y312-F324 AromaticContact CE2-CZ 3.53Å; Y312-F324 HydrophobicContact CE2-CZ 3.53Å; V320-F324 HydrophobicContact CG1-CD2 3.81Å; V320-F324 HydrophobicContact CG1-CE2 3.96Å; V320-F324 VanDerWaalsContact O-CD2 3.24Å; V320-F324 WeakPolarHBondContact O-CD2 3.33Å; V320-F324 PolarHBondContact O-N 3.09Å; A322-F324 PolarHBondContact O-N 3.35Å; F324-R327 VanDerWaalsContact CD1-NH1 3.28Å; F324-R327 WeakPolarHBondContact O-CB 3.35Å; F324-R327 PolarHBondContact O-N 3.15Å; F324-D328 WeakPolarHBondContact O-CB 3.46Å; F324-D328 PolarHBondContact O-N 3.24Å; F324-L348 HydrophobicContact CE2-CD1 4.4Å
325F98.2Very high96Very high2 Ų239 Ų391%0.00920%0.2CC..Hα-helixtrans-55.1-56.5168172.1-105.9000111.5I292 F296 Y299 Y302 R321 A322 R327 D328 E329I292-F325 HydrophobicContact CG2-CD1 4.34Å; I292-F325 HydrophobicContact CG2-CE1 4.19Å; F296-F325 HydrophobicContact CB-CE1 3.77Å; F296-F325 HydrophobicContact CB-CZ 3.73Å; F296-F325 HydrophobicContact CD1-CE1 4.16Å; F296-F325 HydrophobicContact CD1-CZ 4.21Å; F296-F325 HydrophobicContact CG-CE1 4Å; F296-F325 HydrophobicContact CG-CZ 4.23Å; Y299-F325 HydrophobicContact CD2-CB 3.7Å; Y299-F325 AromaticContact CD2-CD1 3.69Å; Y299-F325 HydrophobicContact CD2-CD1 3.69Å; Y299-F325 AromaticContact CD2-CD2 3.86Å; Y299-F325 HydrophobicContact CD2-CD2 3.86Å; Y299-F325 HydrophobicContact CD2-CE1 4.3Å; Y299-F325 HydrophobicContact CD2-CE2 4.43Å; Y299-F325 AromaticContact CD2-CG 3.45Å; Y299-F325 HydrophobicContact CD2-CG 3.45Å; Y299-F325 VanDerWaalsContact CD2-CG 3.45Å; Y299-F325 HydrophobicContact CE2-CB 3.85Å; Y299-F325 HydrophobicContact CE2-CD1 4.42Å; Y299-F325 HydrophobicContact CE2-CG 4.11Å; Y299-F325 HydrophobicContact CG-CD1 4.47Å; Y299-F325 HydrophobicContact CG-CG 4.47Å; Y302-F325 HydrophobicContact CD1-CB 3.69Å; Y302-F325 HydrophobicContact CD1-CD2 4.13Å; Y302-F325 HydrophobicContact CD1-CG 4.39Å; Y302-F325 AromaticContact CD2-CD2 3.82Å; Y302-F325 HydrophobicContact CD2-CD2 3.82Å; Y302-F325 HydrophobicContact CE1-CB 3.74Å; Y302-F325 HydrophobicContact CE2-CD2 4.4Å; Y302-F325 HydrophobicContact CG-CB 4.12Å; Y302-F325 AromaticContact CG-CD2 3.66Å; Y302-F325 HydrophobicContact CG-CD2 3.66Å; Y302-F325 HydrophobicContact CG-CG 4.36Å; Y302-F325 PolarHBondContact OH-N 3.17Å; R321-F325 WeakPolarHBondContact O-CB 3.19Å; R321-F325 PolarHBondContact O-N 3.32Å; A322-F325 PolarHBondContact O-N 3.11Å; F325-R327 VanDerWaalsContact C-N 3.32Å; F325-R327 PolarHBondContact O-N 3.42Å; F325-D328 PolarHBondContact O-N 3.12Å; F325-E329 HydrophobicContact CD1-CG 4.41Å; F325-E329 HydrophobicContact CD2-CG 4.33Å; F325-E329 HydrophobicContact CE1-CG 3.93Å; F325-E329 HydrophobicContact CE2-CG 3.84Å; F325-E329 HydrophobicContact CZ-CG 3.6Å; F325-E329 WeakPolarHBondContact O-CG 3.48Å; F325-E329 PolarHBondContact O-N 3.26Å
326F98.5Very high95.5Very high1 Ų140.4 Ų40.40%0.00421%0.209CC..Hα-helixtrans-64.1-38.9-179.7-71.7-61.8000111.8C234 Y237 V250 L281 I292 F296 A322 D328 E329 F330C234-F326 HydrophobicContact CB-CB 4.13Å; C234-F326 HydrophobicContact CB-CD2 3.87Å; C234-F326 HydrophobicContact CB-CE2 4.49Å; C234-F326 HydrophobicContact CB-CG 3.95Å; Y237-F326 VanDerWaalsContact CB-CZ 3.45Å; Y237-F326 HydrophobicContact CD1-CE2 4.34Å; Y237-F326 HydrophobicContact CD1-CZ 4.19Å; Y237-F326 AromaticContact CG-CZ 3.95Å; Y237-F326 HydrophobicContact CG-CZ 3.95Å; V250-F326 HydrophobicContact CG1-CD1 4.05Å; V250-F326 HydrophobicContact CG1-CE1 4.03Å; L281-F326 HydrophobicContact CD1-CD2 4.34Å; L281-F326 HydrophobicContact CD1-CE2 3.9Å; L281-F326 HydrophobicContact CD2-CD2 4.15Å; I292-F326 HydrophobicContact CD1-CE2 3.97Å; I292-F326 HydrophobicContact CD1-CZ 4.38Å; I292-F326 HydrophobicContact CG1-CZ 4.48Å; I292-F326 HydrophobicContact CG2-CE2 4.47Å; I292-F326 HydrophobicContact CG2-CZ 3.91Å; F296-F326 HydrophobicContact CD2-CE1 4.14Å; F296-F326 HydrophobicContact CE2-CE1 4.1Å; F296-F326 HydrophobicContact CG-CE1 4.48Å; F296-F326 HydrophobicContact CZ-CE1 4.37Å; A322-F326 WeakPolarHBondContact O-CD2 3.42Å; A322-F326 PolarHBondContact O-N 3.15Å; F326-D328 VanDerWaalsContact C-N 3.29Å; F326-D328 PolarHBondContact O-N 3.45Å; F326-E329 PolarHBondContact O-N 3.46Å; F326-F330 VanDerWaalsContact O-CD2 3.24Å; F326-F330 WeakPolarHBondContact O-CD2 3.46Å; F326-F330 PolarHBondContact O-N 2.73Å
327R97.8Very high94.3Very high55 Ų5539.3 Ų39.321%0.20820%0.204CC..Hα-helixtrans-53.3-50.3173.3-174.5-161.170.7172.9-2111.1L275 R323 F324 F325 F330 L331 P346L275-R327 VanDerWaalsContact CD1-CA 3.49Å; L275-R327 HydrophobicContact CD1-CB 3.57Å; L275-R327 HydrophobicContact CD1-CG 3.87Å; R323-R327 WeakPolarHBondContact O-CB 3.48Å; R323-R327 PolarHBondContact O-N 3.4Å; F324-R327 VanDerWaalsContact CD1-NH1 3.28Å; F324-R327 WeakPolarHBondContact O-CB 3.35Å; F324-R327 PolarHBondContact O-N 3.15Å; F325-R327 VanDerWaalsContact C-N 3.32Å; F325-R327 PolarHBondContact O-N 3.42Å; R327-F330 PolarHBondContact O-N 2.84Å; R327-L331 HydrophobicContact CG-CD1 3.98Å; R327-L331 HydrophobicContact CG-CG 4.39Å; R327-L331 WeakPolarHBondContact O-CB 3.37Å; R327-L331 VanDerWaalsContact O-CG 3.31Å; R327-L331 WeakPolarHBondContact O-CG 3.47Å; R327-L331 PolarHBondContact O-N 3.23Å; R327-P346 HydrophobicContact CG-CB 3.9Å; R327-P346 HydrophobicContact CG-CG 4.25Å
328D97.5Very high93.1Very high31 Ų3140.5 Ų40.517%0.16620%0.204CC..Hα-helixtrans-69.5-35.7-176.7-64.6-7.8000111.5Y302 F324 F325 F326 F330 L331 K332Y302-D328 HydrophobicContact CE2-CB 4.34Å; Y302-D328 WeakPolarHBondContact CE2-OD2 3.3Å; Y302-D328 PolarHBondContact OH-OD2 2.96Å; F324-D328 WeakPolarHBondContact O-CB 3.46Å; F324-D328 PolarHBondContact O-N 3.24Å; F325-D328 PolarHBondContact O-N 3.12Å; F326-D328 VanDerWaalsContact C-N 3.29Å; F326-D328 PolarHBondContact O-N 3.45Å; D328-F330 PolarHBondContact O-N 3.32Å; D328-L331 PolarHBondContact O-N 3.37Å; D328-K332 VanDerWaalsContact O-CG 3.23Å; D328-K332 WeakPolarHBondContact O-CG 3.29Å; D328-K332 PolarHBondContact O-N 2.92Å
329E97.9Very high91.9Very high33 Ų3340.5 Ų40.515%0.15423%0.226CC..Hα-helixtrans-58.7-45.4171.8-71-62.1103.300112L254 F325 F326 K332L254-E329 HydrophobicContact CD2-CB 4.32Å; F325-E329 HydrophobicContact CD1-CG 4.41Å; F325-E329 HydrophobicContact CD2-CG 4.33Å; F325-E329 HydrophobicContact CE1-CG 3.93Å; F325-E329 HydrophobicContact CE2-CG 3.84Å; F325-E329 HydrophobicContact CZ-CG 3.6Å; F325-E329 WeakPolarHBondContact O-CG 3.48Å; F325-E329 PolarHBondContact O-N 3.26Å; F326-E329 PolarHBondContact O-N 3.46Å; E329-K332 IonicContact OE1-NZ 2.94Å; E329-K332 PolarHBondContact OE1-NZ 3.14Å
330F98.1Very high90.5Very high1 Ų140.9 Ų40.90%0.00423%0.231CC..Hα-helixtrans-69-38.3175.9-81.2-79.7000112.5F230 A232 V250 L254 L257 L273 L275 F326 R327 D328 K332 V333 T334F230-F330 HydrophobicContact CE1-CE1 4.1Å; A232-F330 HydrophobicContact CB-CE1 3.85Å; A232-F330 HydrophobicContact CB-CE2 3.95Å; A232-F330 HydrophobicContact CB-CZ 3.45Å; A232-F330 VanDerWaalsContact CB-CZ 3.45Å; V250-F330 HydrophobicContact CG1-CE2 4.35Å; V250-F330 HydrophobicContact CG1-CZ 4.47Å; L254-F330 HydrophobicContact CD2-CB 4.3Å; L254-F330 HydrophobicContact CD2-CD1 3.55Å; L254-F330 HydrophobicContact CD2-CD2 4.08Å; L254-F330 HydrophobicContact CD2-CE1 3.76Å; L254-F330 HydrophobicContact CD2-CE2 4.24Å; L254-F330 HydrophobicContact CD2-CG 3.72Å; L254-F330 HydrophobicContact CD2-CZ 4.09Å; L254-F330 HydrophobicContact CG-CD1 4.37Å; L254-F330 HydrophobicContact CG-CE1 4.08Å; L254-F330 HydrophobicContact CG-CZ 4.18Å; L257-F330 HydrophobicContact CB-CD1 4.47Å; L257-F330 HydrophobicContact CD2-CB 4.3Å; L257-F330 HydrophobicContact CD2-CD1 3.62Å; L257-F330 HydrophobicContact CD2-CE1 4.49Å; L257-F330 HydrophobicContact CD2-CG 4.45Å; L273-F330 HydrophobicContact CD1-CD1 4.28Å; L273-F330 HydrophobicContact CD1-CG 4.42Å; L273-F330 HydrophobicContact CD2-CB 3.52Å; L273-F330 HydrophobicContact CD2-CG 4.21Å; L275-F330 HydrophobicContact CD2-CB 4.45Å; L275-F330 HydrophobicContact CD2-CD2 3.55Å; L275-F330 HydrophobicContact CD2-CE2 4.02Å; L275-F330 HydrophobicContact CD2-CG 4.08Å; F326-F330 VanDerWaalsContact O-CD2 3.24Å; F326-F330 WeakPolarHBondContact O-CD2 3.46Å; F326-F330 PolarHBondContact O-N 2.73Å; R327-F330 PolarHBondContact O-N 2.84Å; D328-F330 PolarHBondContact O-N 3.32Å; F330-K332 VanDerWaalsContact C-N 3.33Å; F330-K332 PolarHBondContact O-N 3.19Å; F330-V333 WeakPolarHBondContact O-CB 3.46Å; F330-V333 PolarHBondContact O-N 3Å; F330-T334 PolarHBondContact O-N 3.31Å
331L96.6Very high89.6Confident46 Ų4651 Ų5124%0.24127%0.268CS..Hα-helixtrans-68.5-30.9178-71.6177.5000113R327 D328 V333 T334 S335 C344 P346R327-L331 HydrophobicContact CG-CD1 3.98Å; R327-L331 HydrophobicContact CG-CG 4.39Å; R327-L331 WeakPolarHBondContact O-CB 3.37Å; R327-L331 VanDerWaalsContact O-CG 3.31Å; R327-L331 WeakPolarHBondContact O-CG 3.47Å; R327-L331 PolarHBondContact O-N 3.23Å; D328-L331 PolarHBondContact O-N 3.37Å; L331-V333 PolarHBondContact O-N 3.18Å; L331-T334 CarbonylContact O-C 3.54Å; L331-T334 PolarHBondContact O-N 3.47Å; L331-T334 VanDerWaalsContact O-N 3.12Å; L331-T334 PolarHBondContact O-OG1 2.89Å; L331-T334 VanDerWaalsContact O-OG1 3.13Å; L331-S335 PolarHBondContact O-N 3.33Å; L331-C344 HydrophobicContact CD2-CB 4.27Å; L331-P346 HydrophobicContact CD1-CG 4.19Å; L331-P346 HydrophobicContact CD2-CB 4.39Å; L331-P346 HydrophobicContact CD2-CG 4.1Å
332K95.8Very high89.1Confident120 Ų12048.6 Ų48.652%0.52226%0.26SS..Hα-helixtrans-58.1-40.4171.9-76.7168.6-169.9174.80111D328 E329 F330 T334 S335D328-K332 VanDerWaalsContact O-CG 3.23Å; D328-K332 WeakPolarHBondContact O-CG 3.29Å; D328-K332 PolarHBondContact O-N 2.92Å; E329-K332 IonicContact OE1-NZ 2.94Å; E329-K332 PolarHBondContact OE1-NZ 3.14Å; F330-K332 VanDerWaalsContact C-N 3.33Å; F330-K332 PolarHBondContact O-N 3.19Å; K332-T334 PolarHBondContact O-N 3.47Å; K332-S335 WeakPolarHBondContact O-CB 3.45Å; K332-S335 PolarHBondContact O-N 3.34Å; K332-S335 PolarHBondContact O-OG 2.88Å
333V94.9Very high88.8Confident39 Ų3953.9 Ų53.924%0.23628%0.28CS..Hα-helixtrans-61.6-36.3177.3177.30000111.5L254 L257 A258 F330 L331L254-V333 HydrophobicContact CB-CG2 4.39Å; L254-V333 HydrophobicContact CD2-CG2 3.83Å; L257-V333 HydrophobicContact CB-CG1 4.45Å; L257-V333 HydrophobicContact CG-CG1 4.27Å; A258-V333 VanDerWaalsContact CA-CG1 3.46Å; A258-V333 HydrophobicContact CB-CG1 3.51Å; F330-V333 WeakPolarHBondContact O-CB 3.46Å; F330-V333 PolarHBondContact O-N 3Å; L331-V333 PolarHBondContact O-N 3.18Å
334T93.7Very high88.6Confident9 Ų953.6 Ų53.66%0.05528%0.282CS..THydrogen-bonded Turntrans-96.413.7-178.563.30000113.4L257 W261 F330 L331 K332 C344L257-T334 HydrophobicContact CD1-CG2 4.36Å; L257-T334 HydrophobicContact CD2-CG2 3.74Å; L257-T334 HydrophobicContact CG-CG2 4.06Å; W261-T334 HydrophobicContact CD2-CG2 3.72Å; W261-T334 HydrophobicContact CE3-CG2 3.54Å; W261-T334 HydrophobicContact CG-CG2 4.23Å; W261-T334 HydrophobicContact CH2-CG2 4.39Å; W261-T334 WeakPolarHBondContact CZ2-O 3.4Å; W261-T334 HydrophobicContact CZ3-CG2 3.9Å; F330-T334 PolarHBondContact O-N 3.31Å; L331-T334 CarbonylContact O-C 3.54Å; L331-T334 PolarHBondContact O-N 3.47Å; L331-T334 VanDerWaalsContact O-N 3.12Å; L331-T334 PolarHBondContact O-OG1 2.89Å; L331-T334 VanDerWaalsContact O-OG1 3.13Å; K332-T334 PolarHBondContact O-N 3.47Å; T334-C344 HydrophobicContact CG2-CB 3.98Å; T334-C344 WeakPolarHBondContact OG1-CB 3.36Å
335S90.2Very high88.6Confident78 Ų7856 Ų5655%0.54529%0.292SS..  trans-78-28.6-177.863.40000112.9L331 K332 N337L331-S335 PolarHBondContact O-N 3.33Å; K332-S335 WeakPolarHBondContact O-CB 3.45Å; K332-S335 PolarHBondContact O-N 3.34Å; K332-S335 PolarHBondContact O-OG 2.88Å; S335-N337 PolarHBondContact O-N 3.13Å
336N81.5Confident88.5Confident108 Ų10858.1 Ų58.158%0.57831%0.306SS*.  trans-84.898.9179-73-20.6000110.3W261 N338W261-N336 PolarHBondContact NE1-O 2.77Å; N336-N338 VanDerWaalsContact C-N 3.31Å; N336-N338 PolarHBondContact O-N 2.89Å
337N70.5Confident88.4Confident56 Ų5659.6 Ų59.630%0.29931%0.312SS..  trans-77.8-12.3179.9-75.23.6000113.7W261 S335 G339 G340W261-N337 WeakPolarHBondContact CZ2-OD1 3.21Å; S335-N337 PolarHBondContact O-N 3.13Å; N337-G339 PolarHBondContact O-N 3.22Å; N337-G340 WeakPolarHBondContact O-CA 3.41Å; N337-G340 PolarHBondContact O-N 3.5Å
338N68.5Low88.4Confident97 Ų9758.5 Ų58.552%0.51931%0.311SS..THydrogen-bonded Turntrans44.337.1-179.8-70.1-24000113.6N262 R267 N336 G340N262-N338 PolarHBondContact OD1-ND2 3.15Å; R267-N338 PolarHBondContact NH2-O 2.83Å; N336-N338 VanDerWaalsContact C-N 3.31Å; N336-N338 PolarHBondContact O-N 2.89Å; N338-G340 VanDerWaalsContact C-N 3.29Å; N338-G340 PolarHBondContact O-N 3.1Å
339G68.3Low88.5Confident81 Ų8157 Ų5784%0.83530%0.303SS*.THydrogen-bonded Turntrans75.62.5-176.300000116.3N337N337-G339 PolarHBondContact O-N 3.22Å
340G67.6Low88.5Confident11 Ų1156.1 Ų56.111%0.11330%0.3CS..  trans-74.8148.9174.600000113N337 N338 H342N337-G340 WeakPolarHBondContact O-CA 3.41Å; N337-G340 PolarHBondContact O-N 3.5Å; N338-G340 VanDerWaalsContact C-N 3.29Å; N338-G340 PolarHBondContact O-N 3.1Å; G340-H342 VanDerWaalsContact C-N 3.33Å; G340-H342 PolarHBondContact O-N 3.29Å
341R76.9Confident88.5Confident213 Ų21356.2 Ų56.280%0.80430%0.3SS*.  trans-97.641.2175.1-62.617978.5178.13.3111.8
342H85.9Confident88.5Confident4 Ų455.1 Ų55.12%0.01930%0.296CS..  trans-115.1154.9177.464.5-73.4000110.4W261 R267 S270 G340W261-H342 AromaticContact CD2-CD2 4Å; W261-H342 AromaticContact CD2-NE2 3.61Å; W261-H342 AromaticContact CE2-CD2 3.8Å; W261-H342 AromaticContact CE2-NE2 3.23Å; W261-H342 AromaticContact CE3-CD2 3.8Å; W261-H342 AromaticContact CE3-NE2 3.93Å; W261-H342 AromaticContact CH2-CD2 3.23Å; W261-H342 WeakPolarHBondContact CH2-CD2 3.48Å; W261-H342 AromaticContact CH2-NE2 3.59Å; W261-H342 AromaticContact CZ2-CD2 3.43Å; W261-H342 VanDerWaalsContact CZ2-CD2 3.43Å; W261-H342 WeakPolarHBondContact CZ2-CD2 3.46Å; W261-H342 AromaticContact CZ2-NE2 3.23Å; W261-H342 WeakPolarHBondContact CZ2-NE2 3.48Å; W261-H342 AromaticContact CZ3-CD2 3.43Å; W261-H342 VanDerWaalsContact CZ3-CD2 3.43Å; W261-H342 WeakPolarHBondContact CZ3-CD2 3.47Å; W261-H342 AromaticContact CZ3-NE2 3.92Å; W261-H342 AromaticContact NE1-NE2 3.74Å; R267-H342 PolarHBondContact O-CE1 3.41Å; R267-H342 PolarHBondContact O-ND1 3.33Å; S270-H342 WeakPolarHBondContact OG-CA 3.35Å; G340-H342 VanDerWaalsContact C-N 3.33Å; G340-H342 PolarHBondContact O-N 3.29Å
343Y91Very high88.6Confident110 Ų11052.7 Ų52.743%0.43129%0.289SS..  trans-133.2156.8-173.3-62.4-90.2000110.4S270 V271 Y345S270-Y343 WeakPolarHBondContact CA-O 3.35Å; S270-Y343 WeakPolarHBondContact CB-O 3.48Å; S270-Y343 PolarHBondContact OG-N 2.91Å; S270-Y343 VanDerWaalsContact OG-N 3.11Å; V271-Y343 PolarHBondContact N-O 3.31Å; Y343-Y345 WeakPolarHBondContact CB-OH 3.28Å
344C94.6Very high88.8Confident22 Ų2252.6 Ų52.615%0.14929%0.288CS..EExtended strand (participates in β ladder)trans-108124.3171.7-174.60000109.8W261 V271 L331 T334 P346W261-C344 HydrophobicContact CH2-CB 4.07Å; W261-C344 HydrophobicContact CZ3-CB 3.89Å; V271-C344 CarbonylContact O-C 3.6Å; V271-C344 VanDerWaalsContact O-CA 3.27Å; V271-C344 WeakPolarHBondContact O-CA 3.21Å; L331-C344 HydrophobicContact CD2-CB 4.27Å; T334-C344 HydrophobicContact CG2-CB 3.98Å; T334-C344 WeakPolarHBondContact OG1-CB 3.36Å; C344-P346 WeakPolarHBondContact O-CD 3.29Å
345Y95.6Very high89Confident60 Ų6057.4 Ų57.424%0.23531%0.31CS..EExtended strand (participates in β ladder)trans-11399.9-177.6-59.4-84.4000110V271 I272 L273 Y343 H347 I367 M371V271-Y345 PolarHBondContact O-N 3.45Å; I272-Y345 CarbonylContact C-O 3.17Å; L273-Y345 PolarHBondContact N-O 3.07Å; Y343-Y345 WeakPolarHBondContact CB-OH 3.28Å; Y345-H347 PolarHBondContact O-CD2 3.15Å; Y345-I367 HydrophobicContact CD1-CD1 3.75Å; Y345-I367 HydrophobicContact CD1-CG2 4.1Å; Y345-I367 HydrophobicContact CD2-CG2 3.72Å; Y345-I367 HydrophobicContact CE1-CD1 4.34Å; Y345-I367 HydrophobicContact CE1-CG2 3.88Å; Y345-I367 HydrophobicContact CE2-CG2 3.49Å; Y345-I367 VanDerWaalsContact CE2-CG2 3.49Å; Y345-I367 HydrophobicContact CG-CD1 3.87Å; Y345-I367 HydrophobicContact CG-CG2 4.01Å; Y345-M371 HydrophobicContact CD2-CE 3.64Å; Y345-M371 HydrophobicContact CE2-CE 3.38Å
346P96.8Very high89.3Confident46 Ų4654.8 Ų54.830%0.29929%0.29SS..EExtended strand (participates in β ladder)trans-80.2134.3-176.232.6-35.5000112.3L273 R327 L331 C344L273-P346 HydrophobicContact CD2-CB 4.29Å; L273-P346 CarbonylContact O-C 3.52Å; L273-P346 WeakPolarHBondContact O-CA 3.18Å; R327-P346 HydrophobicContact CG-CB 3.9Å; R327-P346 HydrophobicContact CG-CG 4.25Å; L331-P346 HydrophobicContact CD1-CG 4.19Å; L331-P346 HydrophobicContact CD2-CB 4.39Å; L331-P346 HydrophobicContact CD2-CG 4.1Å; C344-P346 WeakPolarHBondContact O-CD 3.29Å
347H97.6Very high90.1Very high31 Ų3149.7 Ų49.714%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-132.1132.6172.4-64.2-91.7000110.6L273 F274 L275 Y345 T349 V360L273-H347 PolarHBondContact O-N 3.15Å; F274-H347 HydrophobicContact CD1-CB 4.05Å; F274-H347 HydrophobicContact CE1-CB 4.18Å; L275-H347 PolarHBondContact N-O 3.31Å; Y345-H347 PolarHBondContact O-CD2 3.15Å; H347-T349 HydrophobicContact CB-CG2 4.3Å; H347-V360 HydrophobicContact CB-CG1 3.64Å; H347-V360 HydrophobicContact CB-CG2 4.48Å
348L97.4Very high91.4Very high33 Ų3351.5 Ų51.517%0.17327%0.265CS..EExtended strand (participates in β ladder)trans-79.2119.9171.6-61.3171.6000108.6L275 Q278 R323 F324L275-L348 HydrophobicContact CB-CD2 4.19Å; L275-L348 HydrophobicContact CD1-CD2 4.05Å; Q278-L348 HydrophobicContact CG-CB 4.15Å; R323-L348 HydrophobicContact CB-CD1 4.45Å; R323-L348 HydrophobicContact CB-CD2 4.12Å; R323-L348 HydrophobicContact CG-CD2 4.46Å; F324-L348 HydrophobicContact CE2-CD1 4.4Å
349T98.3Very high92.7Very high0 Ų053.1 Ų53.10%026%0.264CS..  trans-128148.3-171.449.90000113.9F274 L275 N276 K277 Q278 H347 N356 I357 V360F274-T349 HydrophobicContact CB-CG2 4.17Å; F274-T349 HydrophobicContact CD1-CG2 4.04Å; F274-T349 HydrophobicContact CD2-CG2 3.87Å; F274-T349 HydrophobicContact CE1-CG2 4.39Å; F274-T349 HydrophobicContact CE2-CG2 4.26Å; F274-T349 HydrophobicContact CG-CG2 3.77Å; L275-T349 PolarHBondContact O-N 2.93Å; L275-T349 PolarHBondContact O-OG1 3.29Å; N276-T349 CarbonylContact C-O 3.52Å; N276-T349 VanDerWaalsContact CA-O 3.27Å; N276-T349 WeakPolarHBondContact CA-O 3.39Å; N276-T349 VanDerWaalsContact CA-OG1 3.23Å; N276-T349 WeakPolarHBondContact CA-OG1 3.49Å; N276-T349 WeakPolarHBondContact CB-OG1 3.22Å; N276-T349 PolarHBondContact N-OG1 3.28Å; N276-T349 PolarHBondContact OD1-O 3.16Å; K277-T349 PolarHBondContact N-O 3.33Å; K277-T349 VanDerWaalsContact N-O 3.14Å; Q278-T349 VanDerWaalsContact CG-O 3.24Å; Q278-T349 WeakPolarHBondContact CG-O 3.45Å; Q278-T349 PolarHBondContact N-O 2.94Å; H347-T349 HydrophobicContact CB-CG2 4.3Å; T349-N356 VanDerWaalsContact CA-OD1 3.27Å; T349-N356 WeakPolarHBondContact CA-OD1 3.46Å; T349-I357 HydrophobicContact CG2-CD1 4.29Å; T349-V360 HydrophobicContact CG2-CB 4.28Å; T349-V360 HydrophobicContact CG2-CG1 3.81Å; T349-V360 HydrophobicContact CG2-CG2 4.09Å
350C98.1Very high93.9Very high14 Ų1449.3 Ų49.310%0.09522%0.224CC..  trans-126.896.1166.4-177.20000107.2V352 D353 N356C350-V352 PolarHBondContact O-N 3.31Å; C350-V352 WeakPolarHBondContact SG-CG2 3.31Å; C350-D353 HydrophobicContact CB-CB 3.86Å; C350-D353 WeakPolarHBondContact O-CB 3.45Å; C350-D353 PolarHBondContact O-N 3.24Å; C350-N356 PolarHBondContact N-OD1 2.62Å
351A97.9Very high95.2Very high2 Ų249 Ų492%0.01722%0.22CC..THydrogen-bonded Turntrans-61.5-20.4-172.900000114.2T54 I55 Q58 N276 D353T54-A351 HydrophobicContact CG2-CB 3.72Å; T54-A351 WeakPolarHBondContact CG2-O 3.41Å; I55-A351 HydrophobicContact CG1-CB 4.01Å; Q58-A351 WeakPolarHBondContact CG-O 3.49Å; Q58-A351 PolarHBondContact NE2-O 3.18Å; N276-A351 WeakPolarHBondContact OD1-CB 3.39Å; N276-A351 PolarHBondContact OD1-N 2.91Å; A351-D353 VanDerWaalsContact C-N 3.33Å
352V97.5Very high96Very high24 Ų2442.2 Ų42.215%0.14520%0.2CC..THydrogen-bonded Turntrans-90.62.6176.4-64.30000112.9T54 Q179 R183 C350T54-V352 HydrophobicContact CG2-CG1 3.99Å; Q179-V352 PolarHBondContact NE2-O 3.38Å; Q179-V352 PolarHBondContact OE1-O 2.87Å; R183-V352 HydrophobicContact CG-CG1 4.45Å; R183-V352 VanDerWaalsContact NH2-CG2 3.25Å; C350-V352 PolarHBondContact O-N 3.31Å; C350-V352 WeakPolarHBondContact SG-CG2 3.31Å
353D98Very high96.2Very high69 Ų6945.5 Ų45.537%0.36922%0.218SC..  trans-108.8108172.3177-13.7000108.8C350 A351 E355 N356 I357C350-D353 HydrophobicContact CB-CB 3.86Å; C350-D353 WeakPolarHBondContact O-CB 3.45Å; C350-D353 PolarHBondContact O-N 3.24Å; A351-D353 VanDerWaalsContact C-N 3.33Å; D353-E355 VanDerWaalsContact C-N 3.31Å; D353-E355 PolarHBondContact O-N 3.26Å; D353-E355 PolarHBondContact OD1-N 3.05Å; D353-N356 HydrophobicContact CB-CB 3.83Å; D353-N356 PolarHBondContact O-N 3.33Å; D353-N356 PolarHBondContact OD1-N 2.92Å; D353-I357 PolarHBondContact O-N 3.16Å; D353-I357 VanDerWaalsContact O-N 3.1Å
354T97.9Very high96.3Very high36 Ų3640.3 Ų40.322%0.22120%0.197CC..Hα-helixtrans-64.6-33.6-176.4-53.40000112.5Q58 I61 L62 R358Q58-T354 PolarHBondContact NE2-OG1 3.45Å; Q58-T354 PolarHBondContact OE1-OG1 2.99Å; I61-T354 HydrophobicContact CG2-CG2 4.22Å; L62-T354 HydrophobicContact CD2-CG2 3.67Å; L62-T354 HydrophobicContact CG-CG2 4.23Å; T354-R358 WeakPolarHBondContact O-CB 3.37Å; T354-R358 PolarHBondContact O-N 3.18Å
355E97.8Very high96Very high110 Ų11041.8 Ų41.851%0.51420%0.2SC..Hα-helixtrans-72-44.1178.1-170.763.2-114.300110.8D353 I357 R358 R359D353-E355 VanDerWaalsContact C-N 3.31Å; D353-E355 PolarHBondContact O-N 3.26Å; D353-E355 PolarHBondContact OD1-N 3.05Å; E355-I357 VanDerWaalsContact C-N 3.31Å; E355-I357 PolarHBondContact O-N 2.81Å; E355-R358 PolarHBondContact O-N 2.99Å; E355-R358 IonicContact OE1-NH1 3.19Å; E355-R358 PolarHBondContact OE1-NH1 3.34Å; E355-R358 IonicContact OE2-CZ 2.8Å; E355-R358 IonicContact OE2-NH1 2.83Å; E355-R358 PolarHBondContact OE2-NH1 2.97Å; E355-R359 PolarHBondContact O-N 2.84Å
356N97.8Very high95.5Very high24 Ų2443.3 Ų43.313%0.12821%0.212CC..Hα-helixtrans-56.1-47.8175.6178.5-92.1000111.3T349 C350 D353 R359 V360T349-N356 VanDerWaalsContact CA-OD1 3.27Å; T349-N356 WeakPolarHBondContact CA-OD1 3.46Å; C350-N356 PolarHBondContact N-OD1 2.62Å; D353-N356 HydrophobicContact CB-CB 3.83Å; D353-N356 PolarHBondContact O-N 3.33Å; D353-N356 PolarHBondContact OD1-N 2.92Å; N356-R359 PolarHBondContact O-N 2.97Å; N356-V360 WeakPolarHBondContact O-CB 3.1Å; N356-V360 WeakPolarHBondContact O-CG2 3.42Å; N356-V360 PolarHBondContact O-N 3.36Å
357I98Very high95Very high1 Ų142.4 Ų42.41%0.00520%0.204CC..Hα-helixtrans-68.5-38179.9-66.3-60.2000112.2I55 Q58 M59 L62 T349 D353 E355 R359 F361I55-I357 HydrophobicContact CG1-CD1 4.43Å; Q58-I357 HydrophobicContact CB-CB 4.31Å; Q58-I357 HydrophobicContact CB-CG2 3.71Å; Q58-I357 HydrophobicContact CG-CB 4.28Å; Q58-I357 HydrophobicContact CG-CG1 4.15Å; Q58-I357 HydrophobicContact CG-CG2 4.18Å; M59-I357 HydrophobicContact CE-CG2 3.58Å; L62-I357 HydrophobicContact CD1-CG2 4.21Å; T349-I357 HydrophobicContact CG2-CD1 4.29Å; D353-I357 PolarHBondContact O-N 3.16Å; D353-I357 VanDerWaalsContact O-N 3.1Å; E355-I357 VanDerWaalsContact C-N 3.31Å; E355-I357 PolarHBondContact O-N 2.81Å; I357-R359 PolarHBondContact O-N 3Å; I357-F361 WeakPolarHBondContact O-CB 3.46Å; I357-F361 PolarHBondContact O-N 3.34Å
358R96.9Very high94.6Very high93 Ų9341 Ų4135%0.35120%0.198SC..Hα-helixtrans-57.7-50.4173.7-173.7-173.6-59.1122.11.2111.2L62 T354 E355 N362L62-R358 HydrophobicContact CD1-CB 4.04Å; L62-R358 HydrophobicContact CD2-CB 4.07Å; L62-R358 HydrophobicContact CD2-CG 4.29Å; T354-R358 WeakPolarHBondContact O-CB 3.37Å; T354-R358 PolarHBondContact O-N 3.18Å; E355-R358 PolarHBondContact O-N 2.99Å; E355-R358 IonicContact OE1-NH1 3.19Å; E355-R358 PolarHBondContact OE1-NH1 3.34Å; E355-R358 IonicContact OE2-CZ 2.8Å; E355-R358 IonicContact OE2-NH1 2.83Å; E355-R358 PolarHBondContact OE2-NH1 2.97Å; R358-N362 VanDerWaalsContact O-CG 3.26Å; R358-N362 PolarHBondContact O-N 3.49Å; R358-N362 PolarHBondContact O-ND2 3.35Å
359R96.1Very high94Very high131 Ų13144 Ų4449%0.49421%0.211SC..Hα-helixtrans-62-52179.8-175.4179.961.277.7-5.7111.6E355 N356 I357 F361 N362 D363E355-R359 PolarHBondContact O-N 2.84Å; N356-R359 PolarHBondContact O-N 2.97Å; I357-R359 PolarHBondContact O-N 3Å; R359-F361 VanDerWaalsContact C-N 3.31Å; R359-F361 PolarHBondContact O-N 3.47Å; R359-N362 WeakPolarHBondContact O-CB 3.18Å; R359-N362 PolarHBondContact O-N 3.29Å; R359-D363 IonicContact NH1-OD2 3.03Å; R359-D363 PolarHBondContact NH1-OD2 2.83Å; R359-D363 VanDerWaalsContact O-CG 3.3Å; R359-D363 PolarHBondContact O-N 3Å
360V94.9Very high93.3Very high1 Ų151.6 Ų51.61%0.00624%0.239CC..Hα-helixtrans-62.9-38.8-178.1170.90000111.4F274 H347 T349 N356 D363 C364F274-V360 HydrophobicContact CD1-CG1 4.34Å; F274-V360 HydrophobicContact CE1-CG1 3.52Å; F274-V360 HydrophobicContact CE2-CG1 4.43Å; F274-V360 HydrophobicContact CZ-CG1 3.59Å; H347-V360 HydrophobicContact CB-CG1 3.64Å; H347-V360 HydrophobicContact CB-CG2 4.48Å; T349-V360 HydrophobicContact CG2-CB 4.28Å; T349-V360 HydrophobicContact CG2-CG1 3.81Å; T349-V360 HydrophobicContact CG2-CG2 4.09Å; N356-V360 WeakPolarHBondContact O-CB 3.1Å; N356-V360 WeakPolarHBondContact O-CG2 3.42Å; N356-V360 PolarHBondContact O-N 3.36Å; V360-D363 PolarHBondContact O-N 3.16Å; V360-C364 WeakPolarHBondContact O-CB 3.46Å; V360-C364 PolarHBondContact O-N 3.41Å; V360-C364 PolarHBondContact O-SG 2.96Å
361F94.2Very high92.6Very high5 Ų551.5 Ų51.52%0.02224%0.238CC..Hα-helixtrans-66.4-38.7177.2-171-99.4000112.2L42 M59 F196 V198 F203 I357 R359 C364 R365L42-F361 HydrophobicContact CD1-CE2 4.06Å; L42-F361 HydrophobicContact CD1-CZ 4.48Å; M59-F361 HydrophobicContact CE-CB 4.29Å; M59-F361 HydrophobicContact CE-CD2 4.07Å; M59-F361 HydrophobicContact CE-CG 4.08Å; M59-F361 HydrophobicContact SD-CD1 4.33Å; M59-F361 HydrophobicContact SD-CD2 3.8Å; M59-F361 HydrophobicContact SD-CE1 4.33Å; M59-F361 HydrophobicContact SD-CE2 3.79Å; M59-F361 HydrophobicContact SD-CG 4.08Å; M59-F361 HydrophobicContact SD-CZ 4.07Å; F196-F361 HydrophobicContact CE2-CE1 4.04Å; F196-F361 AromaticContact CE2-CZ 3.67Å; F196-F361 HydrophobicContact CE2-CZ 3.67Å; F196-F361 HydrophobicContact CZ-CE2 4.24Å; F196-F361 AromaticContact CZ-CZ 3.8Å; F196-F361 HydrophobicContact CZ-CZ 3.8Å; V198-F361 HydrophobicContact CG2-CE1 4.08Å; F203-F361 HydrophobicContact CD1-CZ 4.16Å; F203-F361 HydrophobicContact CE1-CZ 4.05Å; F203-F361 HydrophobicContact CE2-CZ 4.43Å; F203-F361 HydrophobicContact CG-CZ 4.39Å; F203-F361 HydrophobicContact CZ-CE1 4.49Å; F203-F361 HydrophobicContact CZ-CZ 4.2Å; I357-F361 WeakPolarHBondContact O-CB 3.46Å; I357-F361 PolarHBondContact O-N 3.34Å; R359-F361 VanDerWaalsContact C-N 3.31Å; R359-F361 PolarHBondContact O-N 3.47Å; F361-C364 PolarHBondContact O-N 3.36Å; F361-R365 PolarHBondContact O-N 3.11Å
362N93.1Very high91.9Very high70 Ų7052.3 Ų52.337%0.37424%0.241SC..Hα-helixtrans-61.6-44.9172.7-72.7-20.4000111.6R358 R359 C364 R365R358-N362 VanDerWaalsContact O-CG 3.26Å; R358-N362 PolarHBondContact O-N 3.49Å; R358-N362 PolarHBondContact O-ND2 3.35Å; R359-N362 WeakPolarHBondContact O-CB 3.18Å; R359-N362 PolarHBondContact O-N 3.29Å; N362-C364 VanDerWaalsContact C-N 3.28Å; N362-C364 PolarHBondContact O-N 3.39Å; N362-R365 VanDerWaalsContact O-CB 3.27Å; N362-R365 WeakPolarHBondContact O-CB 3.22Å; N362-R365 PolarHBondContact O-N 3.39Å; N362-R365 VanDerWaalsContact O-N 3.12Å
363D91.1Very high91.2Very high74 Ų7453.8 Ų53.840%0.39625%0.248SC..Hα-helixtrans-60.1-39.6176-62.2-20.9000111.6R359 V360 R365R359-D363 IonicContact NH1-OD2 3.03Å; R359-D363 PolarHBondContact NH1-OD2 2.83Å; R359-D363 VanDerWaalsContact O-CG 3.3Å; R359-D363 PolarHBondContact O-N 3Å; V360-D363 PolarHBondContact O-N 3.16Å; D363-R365 VanDerWaalsContact C-N 3.28Å; D363-R365 PolarHBondContact O-N 3.18Å
364C91.8Very high90.3Very high1 Ų155.8 Ų55.81%0.00725%0.251CS..Hα-helixtrans-69.3-25.6178.5-69.20000113I272 V360 F361 N362 D366 I367 I368I272-C364 HydrophobicContact CD1-CB 4.07Å; I272-C364 WeakPolarHBondContact CG2-SG 3.32Å; V360-C364 WeakPolarHBondContact O-CB 3.46Å; V360-C364 PolarHBondContact O-N 3.41Å; V360-C364 PolarHBondContact O-SG 2.96Å; F361-C364 PolarHBondContact O-N 3.36Å; N362-C364 VanDerWaalsContact C-N 3.28Å; N362-C364 PolarHBondContact O-N 3.39Å; C364-D366 PolarHBondContact O-N 2.8Å; C364-I367 WeakPolarHBondContact O-CB 3.33Å; C364-I367 PolarHBondContact O-N 2.77Å; C364-I367 VanDerWaalsContact O-N 3.12Å; C364-I368 HydrophobicContact CB-CD1 4.03Å; C364-I368 WeakPolarHBondContact O-CB 3.49Å; C364-I368 WeakPolarHBondContact O-CD1 3.4Å; C364-I368 VanDerWaalsContact O-CG1 3.25Å; C364-I368 WeakPolarHBondContact O-CG1 3.32Å; C364-I368 PolarHBondContact O-N 2.76Å
365R89.2Confident89.3Confident52 Ų5257.7 Ų57.720%0.19626%0.257CS..Hα-helixtrans-62.5-42.3-171.1-139.4179.572.8-178.79.5112.2D199 F203 F361 N362 D363 I367 I368 Q369D199-R365 IonicContact OD2-CZ 3.92Å; D199-R365 IonicContact OD2-NH1 3.83Å; D199-R365 PolarHBondContact OD2-NH1 3.24Å; D199-R365 IonicContact OD2-NH2 3.38Å; D199-R365 PolarHBondContact OD2-NH2 3.42Å; F203-R365 HydrophobicContact CZ-CG 3.85Å; F361-R365 PolarHBondContact O-N 3.11Å; N362-R365 VanDerWaalsContact O-CB 3.27Å; N362-R365 WeakPolarHBondContact O-CB 3.22Å; N362-R365 PolarHBondContact O-N 3.39Å; N362-R365 VanDerWaalsContact O-N 3.12Å; D363-R365 VanDerWaalsContact C-N 3.28Å; D363-R365 PolarHBondContact O-N 3.18Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 2.89Å; R365-I368 PolarHBondContact O-N 3.25Å; R365-Q369 WeakPolarHBondContact O-CB 3.32Å; R365-Q369 PolarHBondContact O-N 3.21Å
366D85.9Confident88.2Confident92 Ų9256 Ų5649%0.49225%0.246SC..Hα-helixtrans-63.7-38.2176.4-72.5-7.9000111.7C364 R370C364-D366 PolarHBondContact O-N 2.8Å; D366-R370 VanDerWaalsContact O-CG 3.28Å; D366-R370 WeakPolarHBondContact O-CG 3.38Å; D366-R370 PolarHBondContact O-N 3.21Å; D366-R370 VanDerWaalsContact O-N 3.08Å
367I86.2Confident87Confident28 Ų2863.1 Ų63.114%0.14428%0.279CS..Hα-helixtrans-67.2-48.4177.6-47.8176.6000109.5Y345 C364 R365 Q369 R370 M371Y345-I367 HydrophobicContact CD1-CD1 3.75Å; Y345-I367 HydrophobicContact CD1-CG2 4.1Å; Y345-I367 HydrophobicContact CD2-CG2 3.72Å; Y345-I367 HydrophobicContact CE1-CD1 4.34Å; Y345-I367 HydrophobicContact CE1-CG2 3.88Å; Y345-I367 HydrophobicContact CE2-CG2 3.49Å; Y345-I367 VanDerWaalsContact CE2-CG2 3.49Å; Y345-I367 HydrophobicContact CG-CD1 3.87Å; Y345-I367 HydrophobicContact CG-CG2 4.01Å; C364-I367 WeakPolarHBondContact O-CB 3.33Å; C364-I367 PolarHBondContact O-N 2.77Å; C364-I367 VanDerWaalsContact O-N 3.12Å; R365-I367 VanDerWaalsContact C-N 3.29Å; R365-I367 PolarHBondContact O-N 2.89Å; I367-Q369 VanDerWaalsContact C-N 3.32Å; I367-Q369 PolarHBondContact O-N 3.21Å; I367-R370 PolarHBondContact O-N 2.72Å; I367-M371 HydrophobicContact CB-CE 4.42Å; I367-M371 HydrophobicContact CG2-CE 3.31Å; I367-M371 HydrophobicContact CG2-SD 4.48Å; I367-M371 VanDerWaalsContact O-CG 3.28Å; I367-M371 WeakPolarHBondContact O-CG 3.24Å; I367-M371 PolarHBondContact O-N 3.47Å
368I87.8Confident85.5Confident1 Ų168.8 Ų68.81%0.00531%0.308CS..Hα-helixtrans-59.7-43178.9-69.8162.2000110.8H40 L42 F203 T226 A227 I272 C364 R365 M371 H372H40-I368 HydrophobicContact CB-CG2 4.01Å; H40-I368 WeakPolarHBondContact CD2-CG2 3.37Å; L42-I368 HydrophobicContact CD1-CD1 4.31Å; L42-I368 HydrophobicContact CD2-CD1 3.9Å; L42-I368 HydrophobicContact CD2-CG1 4.19Å; L42-I368 HydrophobicContact CD2-CG2 4.23Å; F203-I368 HydrophobicContact CE1-CG2 4.09Å; T226-I368 HydrophobicContact CG2-CG2 4.3Å; A227-I368 HydrophobicContact CB-CG1 4.38Å; I272-I368 HydrophobicContact CD1-CD1 3.88Å; I272-I368 HydrophobicContact CD1-CG1 3.62Å; C364-I368 HydrophobicContact CB-CD1 4.03Å; C364-I368 WeakPolarHBondContact O-CB 3.49Å; C364-I368 WeakPolarHBondContact O-CD1 3.4Å; C364-I368 VanDerWaalsContact O-CG1 3.25Å; C364-I368 WeakPolarHBondContact O-CG1 3.32Å; C364-I368 PolarHBondContact O-N 2.76Å; R365-I368 PolarHBondContact O-N 3.25Å; I368-M371 WeakPolarHBondContact O-CB 3.25Å; I368-M371 PolarHBondContact O-N 3.05Å; I368-H372 WeakPolarHBondContact O-CB 3.3Å; I368-H372 PolarHBondContact O-N 2.86Å
369Q85.9Confident83.5Confident95 Ų9571.7 Ų71.744%0.44433%0.33SS..Hα-helixtrans-63.4-43.3177.1-172174.97.600111.6R365 I367 M371 H372 L373R365-Q369 WeakPolarHBondContact O-CB 3.32Å; R365-Q369 PolarHBondContact O-N 3.21Å; I367-Q369 VanDerWaalsContact C-N 3.32Å; I367-Q369 PolarHBondContact O-N 3.21Å; Q369-M371 PolarHBondContact O-N 2.96Å; Q369-H372 PolarHBondContact O-N 2.81Å; Q369-L373 HydrophobicContact CG-CD1 4.5Å; Q369-L373 WeakPolarHBondContact O-CG 3.46Å; Q369-L373 PolarHBondContact O-N 2.94Å
370R84.2Confident82.9Confident160 Ų16068.8 Ų68.860%0.60432%0.322SS*.Hα-helixtrans-63.1-40.2174.5-71.4173.3-172.9-171.34.2112.3D366 I367 R374D366-R370 VanDerWaalsContact O-CG 3.28Å; D366-R370 WeakPolarHBondContact O-CG 3.38Å; D366-R370 PolarHBondContact O-N 3.21Å; D366-R370 VanDerWaalsContact O-N 3.08Å; I367-R370 PolarHBondContact O-N 2.72Å; R370-R374 WeakPolarHBondContact O-CG 3.5Å; R370-R374 PolarHBondContact O-N 3.05Å; R370-R374 VanDerWaalsContact O-N 3.16Å
371M83.3Confident82.2Confident13 Ų1372.3 Ų72.36%0.06434%0.339CS..Hα-helixtrans-61.8-44.7175.7-68.8174.5-169.200111.1A227 I272 Y345 I367 I368 Q369 R374 Q375A227-M371 HydrophobicContact CB-SD 3.54Å; A227-M371 VanDerWaalsContact CB-SD 3.54Å; I272-M371 HydrophobicContact CG1-CE 4.19Å; Y345-M371 HydrophobicContact CD2-CE 3.64Å; Y345-M371 HydrophobicContact CE2-CE 3.38Å; I367-M371 HydrophobicContact CB-CE 4.42Å; I367-M371 HydrophobicContact CG2-CE 3.31Å; I367-M371 HydrophobicContact CG2-SD 4.48Å; I367-M371 VanDerWaalsContact O-CG 3.28Å; I367-M371 WeakPolarHBondContact O-CG 3.24Å; I367-M371 PolarHBondContact O-N 3.47Å; I368-M371 WeakPolarHBondContact O-CB 3.25Å; I368-M371 PolarHBondContact O-N 3.05Å; Q369-M371 PolarHBondContact O-N 2.96Å; M371-R374 PolarHBondContact O-N 3.02Å; M371-Q375 PolarHBondContact O-N 3.26Å
372H82.5Confident81.6Confident18 Ų1876.1 Ų76.18%0.08336%0.356CS..Hα-helixtrans-63-45.7178.7-171.882.3000112.5K37 H40 T226 I368 Q369 R374 Q375 Y376K37-H372 PolarHBondContact O-CE1 3.44Å; K37-H372 PolarHBondContact O-NE2 2.76Å; H40-H372 VanDerWaalsContact CD2-CB 3.43Å; H40-H372 WeakPolarHBondContact CD2-CB 3.13Å; H40-H372 AromaticContact CD2-CG 3.58Å; H40-H372 AromaticContact CD2-ND1 3.75Å; H40-H372 AromaticContact CE1-CD2 3.75Å; H40-H372 AromaticContact CE1-CG 3.85Å; H40-H372 AromaticContact CE1-NE2 4Å; H40-H372 WeakPolarHBondContact NE2-CB 3.42Å; H40-H372 AromaticContact NE2-CD2 3.55Å; H40-H372 AromaticContact NE2-CG 3.29Å; H40-H372 VanDerWaalsContact NE2-CG 3.29Å; H40-H372 AromaticContact NE2-ND1 3.84Å; T226-H372 HydrophobicContact CG2-CB 3.8Å; I368-H372 WeakPolarHBondContact O-CB 3.3Å; I368-H372 PolarHBondContact O-N 2.86Å; Q369-H372 PolarHBondContact O-N 2.81Å; H372-R374 VanDerWaalsContact C-N 3.31Å; H372-R374 PolarHBondContact O-N 2.72Å; H372-Q375 WeakPolarHBondContact O-CB 3.24Å; H372-Q375 PolarHBondContact O-N 2.71Å; H372-Q375 VanDerWaalsContact O-N 3.15Å; H372-Y376 AromaticContact CE1-CE2 3.42Å; H372-Y376 VanDerWaalsContact CE1-CE2 3.42Å; H372-Y376 WeakPolarHBondContact CE1-CE2 3.11Å; H372-Y376 AromaticContact ND1-CE2 3.82Å; H372-Y376 AromaticContact NE2-CD2 3.98Å; H372-Y376 AromaticContact NE2-CE2 3.74Å; H372-Y376 WeakPolarHBondContact O-CD2 3.26Å; H372-Y376 PolarHBondContact O-N 3.36Å
373L82.2Confident80.9Confident55 Ų5576.4 Ų76.429%0.28836%0.355SS..Hα-helixtrans-60.7-39.9177.1-69.7173.5000112.2Q369 Y376 E377 L378 L379Q369-L373 HydrophobicContact CG-CD1 4.5Å; Q369-L373 WeakPolarHBondContact O-CG 3.46Å; Q369-L373 PolarHBondContact O-N 2.94Å; L373-Y376 PolarHBondContact O-N 3.04Å; L373-E377 PolarHBondContact O-N 3.45Å; L373-L378 HydrophobicContact CB-CB 4.42Å; L373-L378 HydrophobicContact CD2-CB 4.06Å; L373-L378 HydrophobicContact CD2-CD1 3.82Å; L373-L378 PolarHBondContact O-N 2.96Å; L373-L379 HydrophobicContact CB-CD1 3.67Å; L373-L379 HydrophobicContact CB-CG 3.97Å; L373-L379 HydrophobicContact CD1-CD1 4.13Å; L373-L379 HydrophobicContact CD1-CG 4.48Å
374R79.2Confident80.3Confident112 Ų11276.6 Ų76.642%0.42335%0.353SS..Hα-helixtrans-64.1-39.6174.2-72.4176-174.2169.82.6112.6R370 M371 H372 Y376 E377 L379R370-R374 WeakPolarHBondContact O-CG 3.5Å; R370-R374 PolarHBondContact O-N 3.05Å; R370-R374 VanDerWaalsContact O-N 3.16Å; M371-R374 PolarHBondContact O-N 3.02Å; H372-R374 VanDerWaalsContact C-N 3.31Å; H372-R374 PolarHBondContact O-N 2.72Å; R374-Y376 PolarHBondContact O-N 3.22Å; R374-E377 PolarHBondContact O-N 3.49Å; R374-E377 VanDerWaalsContact O-N 3.15Å; R374-L379 HydrophobicContact CG-CB 4.44Å; R374-L379 HydrophobicContact CG-CD1 4.32Å
375Q76.7Confident79.5Confident76 Ų7681.6 Ų81.636%0.35538%0.376SS..Hα-helixtrans-61.3-29.9-179.9-174.51783.600112.3M371 H372M371-Q375 PolarHBondContact O-N 3.26Å; H372-Q375 WeakPolarHBondContact O-CB 3.24Å; H372-Q375 PolarHBondContact O-N 2.71Å; H372-Q375 VanDerWaalsContact O-N 3.15Å
376Y75.2Confident78.8Confident74 Ų7483.7 Ų83.729%0.2939%0.389SS..THydrogen-bonded Turntrans-101.515178.1-69.7-74.9000114K37 H372 L373 R374 L378K37-Y376 WeakPolarHBondContact CA-OH 3.22Å; K37-Y376 HydrophobicContact CB-CE1 4.37Å; K37-Y376 HydrophobicContact CD-CE1 4.43Å; K37-Y376 HydrophobicContact CG-CE1 4.02Å; K37-Y376 WeakPolarHBondContact O-CE2 3.42Å; K37-Y376 PolarHBondContact O-OH 3.1Å; H372-Y376 AromaticContact CE1-CE2 3.42Å; H372-Y376 VanDerWaalsContact CE1-CE2 3.42Å; H372-Y376 WeakPolarHBondContact CE1-CE2 3.11Å; H372-Y376 AromaticContact ND1-CE2 3.82Å; H372-Y376 AromaticContact NE2-CD2 3.98Å; H372-Y376 AromaticContact NE2-CE2 3.74Å; H372-Y376 WeakPolarHBondContact O-CD2 3.26Å; H372-Y376 PolarHBondContact O-N 3.36Å; L373-Y376 PolarHBondContact O-N 3.04Å; R374-Y376 PolarHBondContact O-N 3.22Å; Y376-L378 PolarHBondContact O-N 2.8Å
377E73.5Confident78.2Confident173 Ų17383.1 Ų83.181%0.80838%0.381SS*.THydrogen-bonded Turntrans55.831.7179.5-55.6-178160.200113.6L373 R374 L379L373-E377 PolarHBondContact O-N 3.45Å; R374-E377 PolarHBondContact O-N 3.49Å; R374-E377 VanDerWaalsContact O-N 3.15Å; E377-L379 VanDerWaalsContact C-N 3.31Å
378L65.5Low77.6Confident120 Ų12087.7 Ų87.763%0.62840%0.4SS*.  trans-89.50.8176.9-60.9175000112.9L373 Y376L373-L378 HydrophobicContact CB-CB 4.42Å; L373-L378 HydrophobicContact CD2-CB 4.06Å; L373-L378 HydrophobicContact CD2-CD1 3.82Å; L373-L378 PolarHBondContact O-N 2.96Å; Y376-L378 PolarHBondContact O-N 2.8Å
379L55.1Low76.7Confident155 Ų15595.5 Ų95.581%0.81244%0.436SS*.  trans-140.50175-72172.4000108.1L373 R374 E377L373-L379 HydrophobicContact CB-CD1 3.67Å; L373-L379 HydrophobicContact CB-CG 3.97Å; L373-L379 HydrophobicContact CD1-CD1 4.13Å; L373-L379 HydrophobicContact CD1-CG 4.48Å; R374-L379 HydrophobicContact CG-CB 4.44Å; R374-L379 HydrophobicContact CG-CD1 4.32Å; E377-L379 VanDerWaalsContact C-N 3.31Å

Retrieved 379 of 379 residues in 201 ms (Link to these results)

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