A0A096NEL8_PAPAN Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A096NEL8, Species PAPAN (Papio anubis, Olive baboon), Gene HS6ST3, Length 469 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
1M43Very low61Low230 Ų230148.2 Ų148.2100%1.13369%0.69SS**  0111.30-72177.5-90.500105.7
2D54.8Low62.9Low84 Ų84141.5 Ų141.545%0.44967%0.669SS.*  cis-167.476.620.2-135.5-12.6000112.6R4 F5D2-R4 PolarHBondContact O-N 3.23Å; D2-F5 HydrophobicContact CB-CB 3.72Å; D2-F5 HydrophobicContact CB-CG 4.49Å; D2-F5 WeakPolarHBondContact O-CB 3.46Å; D2-F5 PolarHBondContact O-N 2.98Å; D2-F5 WeakPolarHBondContact OD2-CD2 3.48Å
3E55.3Low64.5Low183 Ų183136.5 Ų136.586%0.85565%0.653SS**Hα-helixtrans-63.5-16.1168.6-78.3-158.1148.900112.8
4R55.6Low66Low206 Ų206133.9 Ų133.978%0.77764%0.644SS**Hα-helixtrans-73.3-29.7170.9-69.6-173.2-160.7-171.16.2112.2D2 N6 W8D2-R4 PolarHBondContact O-N 3.23Å; R4-N6 VanDerWaalsContact C-N 3.34Å; R4-N6 PolarHBondContact O-N 3.47Å; R4-W8 PolarHBondContact O-N 3.4Å
5F54.7Low67.4Low136 Ų136130.3 Ų130.360%0.59663%0.634SS**Hα-helixtrans-71.2-32-177.7-140.2-89000111.8D2 W8 L9D2-F5 HydrophobicContact CB-CB 3.72Å; D2-F5 HydrophobicContact CB-CG 4.49Å; D2-F5 WeakPolarHBondContact O-CB 3.46Å; D2-F5 PolarHBondContact O-N 2.98Å; D2-F5 WeakPolarHBondContact OD2-CD2 3.48Å; F5-W8 PolarHBondContact O-N 3.41Å; F5-L9 PolarHBondContact O-N 3.5Å
6N57.5Low68.6Low118 Ų118129.6 Ų129.663%0.63163%0.633SS**Hα-helixtrans-71.8-32.6-179.8-13812.3000112.6R4 L10R4-N6 VanDerWaalsContact C-N 3.34Å; R4-N6 PolarHBondContact O-N 3.47Å; N6-L10 VanDerWaalsContact O-CB 3.32Å; N6-L10 WeakPolarHBondContact O-CB 3.42Å; N6-L10 PolarHBondContact O-N 3.04Å; N6-L10 VanDerWaalsContact O-N 3.12Å
7K59Low69.6Low161 Ų161127.5 Ų127.570%0.763%0.625SS**Hα-helixtrans-72.7-32.4175.5-74.8-177.3177.2177.70113.1T11K7-T11 PolarHBondContact O-OG1 2.98Å
8W66Low70.6Confident216 Ų216127.9 Ų127.982%0.81862%0.623SS**Hα-helixtrans-74.2-25.2178.7-8780.7000113.5R4 F5 P12R4-W8 PolarHBondContact O-N 3.4Å; F5-W8 PolarHBondContact O-N 3.41Å; W8-P12 WeakPolarHBondContact O-CD 3.37Å; W8-P12 VanDerWaalsContact O-CG 3.28Å; W8-P12 WeakPolarHBondContact O-CG 3.4Å
9L69.9Low71.3Confident106 Ų106126.3 Ų126.356%0.55562%0.621SS**Hα-helixtrans-92.2-31.9176.2-131.987.3000113.5F5 T11 P12 V13F5-L9 PolarHBondContact O-N 3.5Å; L9-T11 PolarHBondContact O-N 2.96Å; L9-P12 VanDerWaalsContact O-CD 3.31Å; L9-P12 WeakPolarHBondContact O-CD 3.34Å; L9-P12 VanDerWaalsContact O-CG 3.32Å; L9-P12 WeakPolarHBondContact O-CG 3.44Å; L9-V13 VanDerWaalsContact O-CG2 3.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.46Å
10L75.8Confident71.6Confident100 Ų100123.4 Ų123.452%0.52461%0.611SS.*Hα-helixtrans-66.8-40.2-176.6-151.689000112.4N6 V13 L14N6-L10 VanDerWaalsContact O-CB 3.32Å; N6-L10 WeakPolarHBondContact O-CB 3.42Å; N6-L10 PolarHBondContact O-N 3.04Å; N6-L10 VanDerWaalsContact O-N 3.12Å; L10-V13 PolarHBondContact O-N 3.07Å; L10-L14 HydrophobicContact CD2-CD1 3.77Å; L10-L14 HydrophobicContact CG-CD1 3.91Å; L10-L14 WeakPolarHBondContact O-CB 3.31Å; L10-L14 PolarHBondContact O-N 3.1Å
11T79.7Confident72Confident90 Ų90121.1 Ų121.155%0.55260%0.6SS**Hα-helixtrans-62.9-51-177.3-41.20000112.6K7 L9 V13 L14 T15K7-T11 PolarHBondContact O-OG1 2.98Å; L9-T11 PolarHBondContact O-N 2.96Å; T11-V13 VanDerWaalsContact C-N 3.32Å; T11-V13 PolarHBondContact O-N 2.9Å; T11-L14 PolarHBondContact O-N 3.38Å; T11-T15 PolarHBondContact O-N 3.19Å; T11-T15 PolarHBondContact O-OG1 3Å; T11-T15 VanDerWaalsContact O-OG1 3.08Å
12P83.4Confident73.6Confident68 Ų68114.4 Ų114.444%0.44257%0.567SS.*Hα-helixtrans-64.6-33.9176.822.6-31.9000113.1W8 L9 T15 L16W8-P12 WeakPolarHBondContact O-CD 3.37Å; W8-P12 VanDerWaalsContact O-CG 3.28Å; W8-P12 WeakPolarHBondContact O-CG 3.4Å; L9-P12 VanDerWaalsContact O-CD 3.31Å; L9-P12 WeakPolarHBondContact O-CD 3.34Å; L9-P12 VanDerWaalsContact O-CG 3.32Å; L9-P12 WeakPolarHBondContact O-CG 3.44Å; P12-T15 VanDerWaalsContact C-OG1 3.27Å; P12-T15 WeakPolarHBondContact CA-OG1 3.43Å; P12-T15 PolarHBondContact O-N 3.49Å; P12-T15 PolarHBondContact O-OG1 2.92Å; P12-L16 WeakPolarHBondContact O-CB 3.47Å; P12-L16 PolarHBondContact O-N 3.35Å
13V84.4Confident74.3Confident76 Ų76118.9 Ų118.946%0.46158%0.579SS.*Hα-helixtrans-68.9-43.2177.4172.50000111.5L9 L10 T11 L16 L17L9-V13 VanDerWaalsContact O-CG2 3.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.48Å; L9-V13 PolarHBondContact O-N 3.46Å; L10-V13 PolarHBondContact O-N 3.07Å; T11-V13 VanDerWaalsContact C-N 3.32Å; T11-V13 PolarHBondContact O-N 2.9Å; V13-L16 PolarHBondContact O-N 3.17Å; V13-L17 PolarHBondContact O-N 3.38Å
14L85.3Confident75.1Confident101 Ų101116.9 Ų116.953%0.52957%0.569SS.*Hα-helixtrans-64.8-39.5175.1-83.6160.5000111.8L10 T11 L17 F18L10-L14 HydrophobicContact CD2-CD1 3.77Å; L10-L14 HydrophobicContact CG-CD1 3.91Å; L10-L14 WeakPolarHBondContact O-CB 3.31Å; L10-L14 PolarHBondContact O-N 3.1Å; T11-L14 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 3.03Å; L14-F18 WeakPolarHBondContact O-CB 3.29Å; L14-F18 PolarHBondContact O-N 3.13Å
15T86.9Confident75.5Confident79 Ų79116.1 Ų116.149%0.48557%0.568SS.*Hα-helixtrans-65.2-38.4174.147.30000112.4T11 P12 F18 V19T11-T15 PolarHBondContact O-N 3.19Å; T11-T15 PolarHBondContact O-OG1 3Å; T11-T15 VanDerWaalsContact O-OG1 3.08Å; P12-T15 VanDerWaalsContact C-OG1 3.27Å; P12-T15 WeakPolarHBondContact CA-OG1 3.43Å; P12-T15 PolarHBondContact O-N 3.49Å; P12-T15 PolarHBondContact O-OG1 2.92Å; T15-F18 PolarHBondContact O-N 3.45Å; T15-V19 WeakPolarHBondContact O-CB 3.42Å; T15-V19 VanDerWaalsContact O-CG2 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.37Å; T15-V19 PolarHBondContact O-N 3Å
16L86.6Confident76Confident119 Ų119114.3 Ų114.362%0.62357%0.568SS**Hα-helixtrans-64.9-43.9175.7-16683.3000111.1P12 V13 F18 V19 V20P12-L16 WeakPolarHBondContact O-CB 3.47Å; P12-L16 PolarHBondContact O-N 3.35Å; V13-L16 PolarHBondContact O-N 3.17Å; L16-F18 VanDerWaalsContact C-N 3.35Å; L16-F18 PolarHBondContact O-N 3.12Å; L16-V19 PolarHBondContact O-N 2.95Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 2.85Å
17L85.1Confident75.1Confident94 Ų94111.9 Ų111.949%0.49256%0.56SS.*Hα-helixtrans-61-42.3174.9-109.6154.4000111.8V13 L14 V20 I21V13-L17 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 3.03Å; L17-V20 PolarHBondContact O-N 3.04Å; L17-I21 HydrophobicContact CD2-CD1 4.25Å; L17-I21 WeakPolarHBondContact O-CB 3.32Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.14Å; L17-I21 PolarHBondContact O-N 3.05Å
18F88.7Confident74.1Confident136 Ų136110 Ų11060%0.59657%0.565SS**Hα-helixtrans-67.5-37.3178.2-145.7-92.2000112.2L14 T15 L16 I21 M22L14-F18 WeakPolarHBondContact O-CB 3.29Å; L14-F18 PolarHBondContact O-N 3.13Å; T15-F18 PolarHBondContact O-N 3.45Å; L16-F18 VanDerWaalsContact C-N 3.35Å; L16-F18 PolarHBondContact O-N 3.12Å; F18-I21 PolarHBondContact O-N 3.46Å; F18-M22 HydrophobicContact CD1-CG 4.1Å; F18-M22 HydrophobicContact CE1-CE 3.85Å; F18-M22 HydrophobicContact CE1-CG 4.25Å; F18-M22 HydrophobicContact CZ-CE 4.35Å; F18-M22 VanDerWaalsContact O-CB 3.32Å; F18-M22 WeakPolarHBondContact O-CB 3.42Å; F18-M22 VanDerWaalsContact O-CG 3.3Å; F18-M22 WeakPolarHBondContact O-CG 3.21Å; F18-M22 PolarHBondContact O-N 3.22Å
19V82.6Confident72.7Confident96 Ų96105.2 Ų105.258%0.58256%0.564SS**Hα-helixtrans-67-39.6173.3170.80000111.3T15 L16 M22 Y23T15-V19 WeakPolarHBondContact O-CB 3.42Å; T15-V19 VanDerWaalsContact O-CG2 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.37Å; T15-V19 PolarHBondContact O-N 3Å; L16-V19 PolarHBondContact O-N 2.95Å; V19-M22 PolarHBondContact O-N 3.49Å; V19-Y23 VanDerWaalsContact O-CB 3.28Å; V19-Y23 WeakPolarHBondContact O-CB 3.3Å; V19-Y23 PolarHBondContact O-N 3.05Å
20V78.1Confident70.7Confident68 Ų68106.1 Ų106.141%0.41258%0.578SS.*Hα-helixtrans-66.8-40.5175.7170.80000111.5L16 L17 Y23 Q24L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 2.85Å; L17-V20 PolarHBondContact O-N 3.04Å; V20-Y23 PolarHBondContact O-N 3.12Å; V20-Q24 WeakPolarHBondContact O-CG 3.48Å; V20-Q24 PolarHBondContact O-N 3.35Å
21I80.4Confident68.7Low76 Ų76107.8 Ų107.839%0.3959%0.592SS.*Hα-helixtrans-66.6-45.2175-68.1165.7000110.1L17 F18 Y23 Q24 Y25L17-I21 HydrophobicContact CD2-CD1 4.25Å; L17-I21 WeakPolarHBondContact O-CB 3.32Å; L17-I21 VanDerWaalsContact O-CG1 3.24Å; L17-I21 WeakPolarHBondContact O-CG1 3.14Å; L17-I21 PolarHBondContact O-N 3.05Å; F18-I21 PolarHBondContact O-N 3.46Å; I21-Y23 VanDerWaalsContact C-N 3.3Å; I21-Y23 PolarHBondContact O-N 3.35Å; I21-Q24 PolarHBondContact O-N 2.96Å; I21-Q24 VanDerWaalsContact O-N 3.16Å; I21-Y25 HydrophobicContact CG2-CD2 4.1Å; I21-Y25 HydrophobicContact CG2-CE2 4.5Å; I21-Y25 WeakPolarHBondContact O-CB 3.49Å; I21-Y25 VanDerWaalsContact O-CD2 3.32Å; I21-Y25 WeakPolarHBondContact O-CD2 3.48Å; I21-Y25 PolarHBondContact O-N 2.95Å
22M75.4Confident66.5Low89 Ų89108.7 Ų108.744%0.43860%0.602SS.*Hα-helixtrans-62.7-35.8174.4-76.7-71.8150.100112.1F18 V19 Q24 Y25 V26F18-M22 HydrophobicContact CD1-CG 4.1Å; F18-M22 HydrophobicContact CE1-CE 3.85Å; F18-M22 HydrophobicContact CE1-CG 4.25Å; F18-M22 HydrophobicContact CZ-CE 4.35Å; F18-M22 VanDerWaalsContact O-CB 3.32Å; F18-M22 WeakPolarHBondContact O-CB 3.42Å; F18-M22 VanDerWaalsContact O-CG 3.3Å; F18-M22 WeakPolarHBondContact O-CG 3.21Å; F18-M22 PolarHBondContact O-N 3.22Å; V19-M22 PolarHBondContact O-N 3.49Å; M22-Q24 VanDerWaalsContact C-N 3.35Å; M22-Y25 PolarHBondContact O-N 3.45Å; M22-V26 WeakPolarHBondContact O-CA 3.43Å; M22-V26 WeakPolarHBondContact O-CB 3.31Å; M22-V26 WeakPolarHBondContact O-CG2 3.4Å; M22-V26 PolarHBondContact O-N 3.44Å; M22-V26 HydrophobicContact SD-CG2 3.58Å; M22-V26 VanDerWaalsContact SD-CG2 3.58Å
23Y70.8Confident64Low179 Ų179110.8 Ų110.870%0.70262%0.618SS**Hα-helixtrans-69.1-32.7175-161.7-96.4000112.5V19 V20 I21 Y25V19-Y23 VanDerWaalsContact O-CB 3.28Å; V19-Y23 WeakPolarHBondContact O-CB 3.3Å; V19-Y23 PolarHBondContact O-N 3.05Å; V20-Y23 PolarHBondContact O-N 3.12Å; I21-Y23 VanDerWaalsContact C-N 3.3Å; I21-Y23 PolarHBondContact O-N 3.35Å; Y23-Y25 VanDerWaalsContact C-N 3.33Å
24Q70.4Confident61.3Low140 Ų140113 Ų11365%0.65464%0.636SS**Hα-helixtrans-73.4-22.3172.8-7417830.100113.4V20 I21 M22V20-Q24 WeakPolarHBondContact O-CG 3.48Å; V20-Q24 PolarHBondContact O-N 3.35Å; I21-Q24 PolarHBondContact O-N 2.96Å; I21-Q24 VanDerWaalsContact O-N 3.16Å; M22-Q24 VanDerWaalsContact C-N 3.35Å
25Y64.5Low58.7Low190 Ų190114.1 Ų114.175%0.74565%0.647SS**Hα-helixtrans-116.1-13.1-173.5-79.8-91000115.6I21 M22 Y23I21-Y25 HydrophobicContact CG2-CD2 4.1Å; I21-Y25 HydrophobicContact CG2-CE2 4.5Å; I21-Y25 WeakPolarHBondContact O-CB 3.49Å; I21-Y25 VanDerWaalsContact O-CD2 3.32Å; I21-Y25 WeakPolarHBondContact O-CD2 3.48Å; I21-Y25 PolarHBondContact O-N 2.95Å; M22-Y25 PolarHBondContact O-N 3.45Å; Y23-Y25 VanDerWaalsContact C-N 3.33Å
26V64.9Low56.1Low98 Ų98118.3 Ų118.359%0.59467%0.667SS**SBendtrans-126.216.3-171.8-168.90000113M22M22-V26 WeakPolarHBondContact O-CA 3.43Å; M22-V26 WeakPolarHBondContact O-CB 3.31Å; M22-V26 WeakPolarHBondContact O-CG2 3.4Å; M22-V26 PolarHBondContact O-N 3.44Å; M22-V26 HydrophobicContact SD-CG2 3.58Å; M22-V26 VanDerWaalsContact SD-CG2 3.58Å
27S39.7Very low53.4Low68 Ų68122.7 Ų122.748%0.47668%0.681SS.*SBendtrans-137.8128.3164.4-690000111.7S29S27-S29 PolarHBondContact O-N 3.02Å
28P37.8Very low50.7Low122 Ų122121.5 Ų121.579%0.79269%0.692SS**  trans-75111.1-164.129.3-32.4000110.3C30P28-C30 PolarHBondContact O-N 2.96Å; P28-C30 VanDerWaalsContact O-N 3.13Å
29S36.7Very low47.9Very low115 Ų115124.5 Ų124.580%0.80471%0.708SS**  trans-71.8103.3157.4-66.50000106.9S27 T31S27-S29 PolarHBondContact O-N 3.02Å; S29-T31 PolarHBondContact O-N 2.84Å
30C27.8Very low45.4Very low125 Ų125128.2 Ų128.285%0.84572%0.719SS**  trans-45.1101.1-178.9-70.20000112.4P28P28-C30 PolarHBondContact O-N 2.96Å; P28-C30 VanDerWaalsContact O-N 3.13Å
31T34.3Very low43.3Very low134 Ų134130.9 Ų130.982%0.82274%0.738SS**  trans-78.2131.2145.641.50000107.8S29S29-T31 PolarHBondContact O-N 2.84Å
32S33.1Very low40.9Very low109 Ų109138.8 Ų138.876%0.76276%0.762SS**  trans-145.277.6155.6620000108.6
33S31.8Very low38.8Very low112 Ų112139.5 Ų139.578%0.78378%0.782SS**  trans-73.4128.5141.4-65.10000107.1
34C27.3Very low36.8Very low123 Ų123134.8 Ų134.883%0.83179%0.788SS**  trans-93.3107.4164.5-74.40000108.2
35T30.3Very low35Very low124 Ų124137.8 Ų137.876%0.76180%0.802SS**  trans-122.9111155.645.40000106.3
36N31.6Very low33.4Very low168 Ų168133.6 Ų133.690%0.89881%0.807SS**PPolyproline II helixtrans-97.3116.8166.7-84.6-27.4000108.2
37F29.7Very low32Very low210 Ų210132.3 Ų132.392%0.92181%0.813SS**PPolyproline II helixtrans-95.8123.7155.3-112.7-90.2000106.6
38G29.2Very low32.1Very low70 Ų70135.3 Ų135.372%0.72283%0.831SS**PPolyproline II helixtrans-95.8136.5163.600000109.2
39E30Very low32.1Very low198 Ų198135.2 Ų135.293%0.92583%0.831SS**PPolyproline II helixtrans-61.1153.9-176.7-77.4167.8116.600114.9
40Q30.5Very low32Very low175 Ų175134.3 Ų134.382%0.81883%0.83SS**PPolyproline II helixtrans-90.3157.5177.4-157.3166.19.900110.3
41P32.8Very low32.4Very low124 Ų124134.7 Ų134.781%0.80583%0.829SS**  trans-112.2135.7142.39.59.5000110.9
42R31.2Very low32.5Very low241 Ų241134.3 Ų134.391%0.90983%0.828SS**  trans-65.9143.3173.3-75.5176.4167.2163.9-4.3112
43A30.2Very low32.6Very low104 Ų104132 Ų13286%0.8682%0.822SS**  trans-159.3131.8142.100000110.9
44G28.8Very low33Very low80 Ų80133.1 Ų133.183%0.82583%0.827SS**  trans98.495.7144.900000118.4
45E33.1Very low33.4Very low203 Ų203132.3 Ų132.395%0.94983%0.828SS**  trans-58.8138.3155.1-70.5168.5115.700111.7
46A31.8Very low33.4Very low103 Ų103138 Ų13885%0.85184%0.836SS**  trans-161.3126.4146.100000109.6
47G34.8Very low33.4Very low70 Ų70141.1 Ų141.172%0.72284%0.835SS**  trans-69.6179.1-178.300000115.2
48P41.9Very low33.5Very low131 Ų131136 Ų13685%0.85183%0.832SS**  trans-87.1154.6-167.935.3-32.8000111.9
49P38.5Very low33.6Very low121 Ų121140.8 Ų140.879%0.78684%0.835SS**  trans-120.2128.9151.730.5-15.5000113.1
50A33.1Very low33.9Very low96 Ų96136 Ų13679%0.79383%0.83SS**  63.8112.2127.800000121.3
51V36.3Very low34.3Very low133 Ų133133.3 Ų133.381%0.80683%0.827SS**  trans-49.9145.9148.2178.90000112.2
52P37.4Very low34.7Very low125 Ų125133.3 Ų133.381%0.81283%0.827SS**  trans-112.3126.4144.78.511.4000111.4
53G34.1Very low34.8Very low62 Ų62130.3 Ų130.364%0.63982%0.824SS**  trans-78-167.2167.300000113.2
54P41.2Very low34.8Very low135 Ų135134.8 Ų134.888%0.87783%0.827SS**  -97.1146.8-122.334.8-35000114.3
55A34.2Very low35Very low105 Ų105139.9 Ų139.987%0.86882%0.821SS**  trans-105.2122.4166.800000111.4
56R31.9Very low34.9Very low243 Ų243137.2 Ų137.292%0.91781%0.809SS**  trans-32.5127.8176.8-69.4168.7171.5-177.3-3.8118
57R30.7Very low35Very low235 Ų235144.3 Ų144.389%0.88781%0.814SS**  15109.7121.4-143.7177.4-158.2178.95116
58A31.9Very low35Very low103 Ų103152.3 Ų152.385%0.85182%0.822SS**  trans-124.8131.7152.200000108.4
59Q30.6Very low34.9Very low169 Ų169152 Ų15279%0.7982%0.82SS**  trans-79.2145.6-171.6-67.2161.9-2.600110.9
60A36.1Very low34.8Very low98 Ų98155.5 Ų155.581%0.8183%0.826SS**  trans-72.1153.4163.100000111
61P39.1Very low35.3Very low118 Ų118158.9 Ų158.977%0.76683%0.83SS**  trans-144.6178131.942-27000112.1
62P42Very low35.9Very low124 Ų124157.8 Ų157.881%0.80583%0.825SS**  -112.9171-84.227.6-7.7000112.7
63E33.2Very low36.6Very low179 Ų179157.5 Ų157.584%0.83682%0.824SS**  trans-58.9133.9171.2-61.3-179145.400112.2
64E29.6Very low37.1Very low198 Ų198160.2 Ų160.293%0.92583%0.83SS**  trans-120.989.6164-152.3172.4-155.200108
65W32.4Very low37.2Very low186 Ų186160 Ų16071%0.70583%0.828SS**  trans-78.5115.9164.357.9-76.7000106.8
66E32.5Very low37.4Very low148 Ų148166.8 Ų166.869%0.69283%0.831SS**  trans157.6105.8149.3-93.7171.5161.900109.9
67R33.1Very low37.8Very low251 Ų251158.6 Ų158.695%0.94782%0.823SS**  trans-178.2103.7137.6-98.4166.3-150-149.210109.8
68R35.5Very low38.4Very low239 Ų239153.5 Ų153.590%0.90282%0.82SS**PPolyproline II helixtrans-79.5136.4159.1-73.9-178.2-162.1-139.60.4109.2
69P39.5Very low38.8Very low124 Ų124154.8 Ų154.881%0.80582%0.82SS**PPolyproline II helixtrans-79.3129.6157.4-9.627000110
70Q37Very low39Very low194 Ų194156.5 Ų156.591%0.90783%0.828SS**PPolyproline II helixtrans-75.2134.9174.2-62.9179.315.800110.4
71L41.9Very low38.8Very low167 Ų167155.2 Ų155.287%0.87483%0.825SS**PPolyproline II helixtrans-97.9140.8168.6-80.7160.1000109.6
72P49.1Very low38.8Very low111 Ų111156.1 Ų156.172%0.72183%0.83SS**PPolyproline II helixtrans-78.1155.4-177.831.4-33.6000112.6
73P52.1Low38.4Very low119 Ų119162.4 Ų162.477%0.77384%0.838SS**PPolyproline II helixtrans-79.1149.1-179.431.4-33.6000112.7
74P45.2Very low38.1Very low118 Ų118157.7 Ų157.777%0.76684%0.837SS**PPolyproline II helixtrans-79.115317530.8-32.7000112.8
75P43.7Very low38Very low130 Ų130152.9 Ų152.984%0.84483%0.831SS**PPolyproline II helixtrans-79.5154.4-172.331-33.7000114.2
76R39Very low37.9Very low248 Ų248148.8 Ų148.894%0.93684%0.837SS**PPolyproline II helixtrans-70.3139.3178.2-66.7176.5177.6-179.8-1.9111.6
77G40.7Very low37.7Very low72 Ų72146 Ų14674%0.74284%0.839SS**PPolyproline II helixtrans-74.4158.7174.700000113.8
78P42Very low37.9Very low128 Ų128140.2 Ų140.283%0.83183%0.834SS**PPolyproline II helixtrans-102169.3168.534-23000113
79P41.7Very low37.7Very low129 Ų129137.5 Ų137.584%0.83883%0.832SS**  trans-107.2172-13439-32.9000116.1
80E34.7Very low37.3Very low205 Ų205140.1 Ų140.196%0.95883%0.833SS**  trans-77.3147.7175.4-70.8-176.2144.200114.8
81G30.4Very low37Very low72 Ų72139.2 Ų139.274%0.74283%0.829SS**  trans136.6158.3148.500000114.4
82P40.6Very low36.3Very low136 Ų136139.1 Ų139.188%0.88383%0.829SS**  cis-132.7-176.8-16.138.1-18.8000114.4
83R32.9Very low35.4Very low257 Ų257142.9 Ų142.997%0.9784%0.837SS**  trans-63.2158.8-178.2-65.3171169.9-173.3-4.9116.3
84G27.7Very low34.9Very low80 Ų80146.5 Ų146.583%0.82584%0.844SS**  trans134.5146.4156.400000111.2
85A27.1Very low34.5Very low96 Ų96146.7 Ų146.779%0.79385%0.845SS**  cis-170159.6-9.600000106.2
86A28.8Very low33.8Very low100 Ų100143.5 Ų143.583%0.82684%0.836SS**  trans60.9124.7149.300000120.9
87A29.7Very low33.7Very low89 Ų89139.4 Ų139.474%0.73683%0.832SS**  trans-63.1170.5157.500000112
88P36.9Very low33.4Very low130 Ų130147 Ų14784%0.84484%0.839SS**  -137.2162.5104.332.7-17.3000115
89E32.2Very low33Very low183 Ų183144.3 Ų144.386%0.85583%0.834SS**  trans-68.4155.3175.5-58.2167.6151.600112.5
90E30Very low32.6Very low178 Ų178146.6 Ų146.683%0.83283%0.833SS**  trans162.3141.6155.6-94.6172.6-155.600105.1
91E29.9Very low32.5Very low175 Ų175145.7 Ų145.782%0.81883%0.829SS**  cis-169.4157.3-9.2-113.1177.9-175.600104.2
92D28.8Very low32.6Very low165 Ų165149.5 Ų149.588%0.88283%0.828SS**  trans-63.9131.6-175.3-65.9-60.8000114.8
93E30.3Very low32.5Very low191 Ų191152 Ų15289%0.89383%0.827SS**  trans-139.2116.2152.3-79.1-165.2156.800110.2
94E40.2Very low32.9Very low195 Ų195145.5 Ų145.591%0.91181%0.808SS**  trans-62.5145.3167.6-88.2-169.7151.600111.7
95P37.4Very low33.4Very low121 Ų121150.7 Ų150.779%0.78681%0.811SS**  trans-131.4116146.732.3-16.1000113.3
96G29.3Very low34.3Very low63 Ų63152 Ų15265%0.64981%0.805SS**  32.3113.2126.500000120R98G96-R98 PolarHBondContact O-N 2.89Å
97D37Very low34.8Very low162 Ų162156.2 Ų156.287%0.86681%0.807SS**  trans-10.3100.1153.4-167.320.2000115.7
98R34.6Very low35.3Very low233 Ų233157.4 Ų157.488%0.87981%0.807SS**  trans-123.8115.6157.7-79.1-175.1176.8-177.61.3106.9G96 E100G96-R98 PolarHBondContact O-N 2.89Å; R98-E100 PolarHBondContact O-N 3.05Å
99G33.9Very low35.8Very low70 Ų70154.8 Ų154.872%0.72279%0.786SS**  trans-41.5119.4-177.600000112.8E101G99-E101 PolarHBondContact O-N 2.91Å
100E31.7Very low36.5Very low177 Ų177152.3 Ų152.383%0.82779%0.786SS**  trans-63.3103.2173.4-65.9176.2163.900108.4R98 E102R98-E100 PolarHBondContact O-N 3.05Å; E100-E102 PolarHBondContact O-N 3.06Å
101E33.1Very low37.5Very low186 Ų186148.7 Ų148.787%0.86977%0.769SS**  trans-6695.9149.9-70.1-171.1168.900105.7G99 E103G99-E101 PolarHBondContact O-N 2.91Å; E101-E103 PolarHBondContact O-N 3.37Å
102E33.4Very low38Very low153 Ų153143.1 Ų143.172%0.71575%0.753SS**  trans-53.6101.3171.2-71.4176.116100108.7E100 E104E100-E102 PolarHBondContact O-N 3.06Å; E102-E104 PolarHBondContact O-N 3.42Å
103E37.8Very low38.6Very low188 Ų188138.7 Ų138.788%0.87973%0.733SS**  trans-66.681.6157.3-72.4-167.6159.400106.8E101 E105E101-E103 PolarHBondContact O-N 3.37Å; E103-E105 PolarHBondContact O-N 3.34Å
104E40.4Very low39.3Very low121 Ų121139.2 Ų139.257%0.56574%0.736SS**  trans-57.9113.5171.9-85.4-175.2154.900108.7E102 D106E102-E104 PolarHBondContact O-N 3.42Å; E104-D106 PolarHBondContact O-N 3.4Å
105E39.1Very low39.3Very low188 Ų188136.1 Ų136.188%0.87973%0.725SS**PPolyproline II helixtrans-48.9125.8172.9-66-176153.300110.2E103 E107E103-E105 PolarHBondContact O-N 3.34Å; E105-E107 PolarHBondContact O-N 2.92Å
106D44.8Very low39.4Very low125 Ų125134.8 Ų134.867%0.66873%0.734SS**PPolyproline II helixtrans-57.6127.2175.3-77.8-46.4000109.7E104 R429E104-D106 PolarHBondContact O-N 3.4Å; D106-R429 IonicContact OD1-NH2 3.55Å; D106-R429 PolarHBondContact OD1-NH2 2.96Å
107E39.8Very low39.8Very low188 Ų188136.6 Ų136.688%0.87974%0.736SS**PPolyproline II helixtrans-52.6126.9169.6-85.1-153.9155.200109.6E105 D109E105-E107 PolarHBondContact O-N 2.92Å; E107-D109 PolarHBondContact O-N 3.34Å
108P40.3Very low40.1Very low113 Ų113135.7 Ų135.773%0.73473%0.728SS**PPolyproline II helixtrans-61.5131.6179.9-16.527000110.1P110P108-P110 WeakPolarHBondContact O-CD 3.47Å; P108-P110 VanDerWaalsContact O-N 3.16Å
109D46.9Very low40.5Very low75 Ų75130 Ų13040%0.40172%0.722SS.*PPolyproline II helixtrans-54.1121.2169.8-177.81.4000108.5E107 E111 A112E107-D109 PolarHBondContact O-N 3.34Å; D109-E111 PolarHBondContact O-N 3.44Å; D109-E111 PolarHBondContact OD1-N 2.97Å; D109-E111 VanDerWaalsContact OD1-N 3.14Å; D109-A112 HydrophobicContact CB-CB 4.26Å; D109-A112 VanDerWaalsContact O-CB 3.26Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 3.18Å
110P46.8Very low42.1Very low131 Ų131137.8 Ų137.885%0.85173%0.73SS**THydrogen-bonded Turntrans-65-2.5179.223.7-32.4000113.7P108P108-P110 WeakPolarHBondContact O-CD 3.47Å; P108-P110 VanDerWaalsContact O-N 3.16Å
111E51.7Low44.4Very low103 Ų103132 Ų13248%0.48170%0.702SS.*THydrogen-bonded Turntrans-104.75.7168-65-174.117300114D109 P113 R356D109-E111 PolarHBondContact O-N 3.44Å; D109-E111 PolarHBondContact OD1-N 2.97Å; D109-E111 VanDerWaalsContact OD1-N 3.14Å; E111-P113 WeakPolarHBondContact O-CD 3.42Å; E111-R356 WeakPolarHBondContact OE1-CB 3.43Å; E111-R356 WeakPolarHBondContact OE1-CG 3.5Å
112A41.8Very low46.9Very low58 Ų58128.3 Ų128.348%0.47969%0.691SS.*SBendtrans-74.2121.2169.900000109.3D109D109-A112 HydrophobicContact CB-CB 4.26Å; D109-A112 VanDerWaalsContact O-CB 3.26Å; D109-A112 WeakPolarHBondContact O-CB 3.4Å; D109-A112 PolarHBondContact O-N 3.18Å
113P40.1Very low49.6Very low71 Ų71124.5 Ų124.546%0.46168%0.68SS.*  trans-64.4139.9176.419.7-22.8000110.3E111 N115 M118E111-P113 WeakPolarHBondContact O-CD 3.42Å; P113-N115 CarbonylContact O-C 3.55Å; P113-N115 PolarHBondContact O-N 2.92Å; P113-M118 HydrophobicContact CG-CB 4.43Å; P113-M118 HydrophobicContact CG-CG 3.74Å
114E45Very low52.3Low203 Ų203124.2 Ų124.295%0.94967%0.671SS**SBendtrans-57.8-6.6-176-67.7-178.1153.400115
115N40Very low54.9Low130 Ų130121.7 Ų121.770%0.69566%0.658SS**SBendtrans-117.3112.4171-82.1-26.5000109.3P113 S117P113-N115 CarbonylContact O-C 3.55Å; P113-N115 PolarHBondContact O-N 2.92Å; N115-S117 PolarHBondContact O-N 2.79Å
116G39Very low57.6Low93 Ų93120.7 Ų120.796%0.95966%0.659SS**SBendtrans-64.452-175.800000116.6
117S39.5Very low60.2Low101 Ų101115.5 Ų115.571%0.70663%0.63SS**  trans-132.528.2179.963.20000113.9N115N115-S117 PolarHBondContact O-N 2.79Å
118M41.6Very low62.9Low142 Ų142110.2 Ų110.270%0.761%0.611SS**SBendtrans-81.9127.1157.6-85.5-99.4-86.100108.7P113 R120P113-M118 HydrophobicContact CG-CB 4.43Å; P113-M118 HydrophobicContact CG-CG 3.74Å; M118-R120 PolarHBondContact O-N 3.34Å
119P44.5Very low65.6Low115 Ų115110.4 Ų110.475%0.74761%0.605SS**  trans-57.5119174.321.2-29.2000108.3F121P119-F121 PolarHBondContact O-N 3.31Å
120R66.8Low67.9Low233 Ų233115 Ų11588%0.87962%0.622SS**  trans-42.1124.9170.8-162175.2-170.8157.83.2107.1M118 V122M118-R120 PolarHBondContact O-N 3.34Å; R120-V122 WeakPolarHBondContact O-CG2 3.46Å; R120-V122 PolarHBondContact O-N 2.66Å
121F79.2Confident70.3Confident56 Ų56109.4 Ų109.425%0.24658%0.584CS.*  trans-49.5118.4-175.5164.7-111.3000110P119 P123 D411 Q414 Q415 H418P119-F121 PolarHBondContact O-N 3.31Å; F121-P123 HydrophobicContact CE1-CG 4.23Å; F121-P123 WeakPolarHBondContact O-CD 3.33Å; F121-D411 WeakPolarHBondContact CZ-OD1 3.38Å; F121-Q414 HydrophobicContact CD1-CB 4.23Å; F121-Q414 HydrophobicContact CD2-CB 3.98Å; F121-Q414 HydrophobicContact CE1-CB 3.78Å; F121-Q414 HydrophobicContact CE2-CB 3.49Å; F121-Q414 VanDerWaalsContact CE2-CB 3.49Å; F121-Q414 HydrophobicContact CE2-CG 4.22Å; F121-Q414 HydrophobicContact CG-CB 4.29Å; F121-Q414 HydrophobicContact CZ-CB 3.36Å; F121-Q415 HydrophobicContact CE1-CB 4.41Å; F121-Q415 HydrophobicContact CE1-CG 3.54Å; F121-Q415 HydrophobicContact CZ-CG 3.73Å; F121-H418 AromaticContact CD1-CE1 3.46Å; F121-H418 VanDerWaalsContact CD1-CE1 3.46Å; F121-H418 WeakPolarHBondContact CD1-CE1 3.38Å; F121-H418 AromaticContact CD1-ND1 3.48Å; F121-H418 WeakPolarHBondContact CD1-ND1 3.38Å; F121-H418 AromaticContact CE1-ND1 3.92Å; F121-H418 AromaticContact CG-CE1 3.74Å
122V85.9Confident72.5Confident107 Ų107105.4 Ų105.465%0.64857%0.567SS**  trans-102.2114.3179.8-173.50000108.2R120 R124R120-V122 WeakPolarHBondContact O-CG2 3.46Å; R120-V122 PolarHBondContact O-N 2.66Å; V122-R124 PolarHBondContact O-N 3.05Å
123P91.1Very high75Confident73 Ų73105.7 Ų105.747%0.47456%0.562SS.*  trans-50.9131.1171-31.239000111.9F121 D411 Q415F121-P123 HydrophobicContact CE1-CG 4.23Å; F121-P123 WeakPolarHBondContact O-CD 3.33Å; P123-D411 WeakPolarHBondContact CA-OD1 3.44Å; P123-Q415 HydrophobicContact CB-CG 4.39Å; P123-Q415 HydrophobicContact CG-CG 4.33Å
124R93.4Very high77.6Confident182 Ų182104.7 Ų104.769%0.68755%0.549SS*.  trans-95.6-35175.1-70.4-168.9177.8-174.5-2.1112.6V122 E407 D411V122-R124 PolarHBondContact O-N 3.05Å; R124-E407 WeakPolarHBondContact CD-OE1 3.28Å; R124-E407 IonicContact CZ-OE1 3.81Å; R124-E407 IonicContact NE-OE1 3.74Å; R124-E407 IonicContact NH1-OE1 2.74Å; R124-E407 PolarHBondContact NH1-OE1 2.82Å; R124-D411 PolarHBondContact N-OD1 2.68Å; R124-D411 VanDerWaalsContact N-OD1 3.15Å; R124-D411 PolarHBondContact N-OD2 2.98Å; R124-D411 VanDerWaalsContact N-OD2 3.13Å
125F96Very high80Confident69 Ų69101.4 Ų101.430%0.30353%0.532SS..SBendtrans-115.4146.6-178.9-58.6-82.8000109.8F127 E407 Y408 D411 Q415F125-F127 HydrophobicContact CB-CD2 4.37Å; F125-F127 HydrophobicContact CB-CE1 4.34Å; F125-F127 HydrophobicContact CB-CE2 3.72Å; F125-F127 HydrophobicContact CB-CZ 3.7Å; F125-F127 HydrophobicContact CD2-CZ 4.45Å; F125-F127 HydrophobicContact CG-CZ 4.3Å; F125-F127 PolarHBondContact O-N 3.38Å; F125-E407 HydrophobicContact CE2-CG 4.33Å; F125-Y408 HydrophobicContact CD1-CD2 4.39Å; F125-Y408 HydrophobicContact CD2-CD2 4.22Å; F125-Y408 HydrophobicContact CE2-CD2 4.37Å; F125-Y408 HydrophobicContact CG-CD2 4.26Å; F125-D411 WeakPolarHBondContact CA-OD2 3.18Å; F125-D411 WeakPolarHBondContact CB-OD2 3.47Å; F125-D411 HydrophobicContact CD2-CB 3.94Å; F125-D411 VanDerWaalsContact CD2-OD2 3.24Å; F125-D411 WeakPolarHBondContact CD2-OD2 3.47Å; F125-D411 HydrophobicContact CE2-CB 4.5Å; F125-D411 PolarHBondContact N-OD2 3.26Å; F125-Q415 PolarHBondContact O-NE2 3.14Å
126N96.1Very high82.7Confident166 Ų16695.8 Ų95.889%0.88850%0.503SS*.  trans-90101.5175.9-167.5-0.9000109.8
127F97.8Very high85.3Confident17 Ų1797.5 Ų97.58%0.07549%0.49CS..  trans-93.8140.9177.4-69-61.9000111.4F125 D131 L132 Y408 D411 L412F125-F127 HydrophobicContact CB-CD2 4.37Å; F125-F127 HydrophobicContact CB-CE1 4.34Å; F125-F127 HydrophobicContact CB-CE2 3.72Å; F125-F127 HydrophobicContact CB-CZ 3.7Å; F125-F127 HydrophobicContact CD2-CZ 4.45Å; F125-F127 HydrophobicContact CG-CZ 4.3Å; F125-F127 PolarHBondContact O-N 3.38Å; F127-D131 HydrophobicContact CB-CB 4.06Å; F127-D131 HydrophobicContact CD1-CB 4.25Å; F127-L132 HydrophobicContact CB-CD2 3.71Å; F127-L132 HydrophobicContact CB-CG 4.08Å; F127-L132 HydrophobicContact CD2-CD2 4.39Å; F127-L132 HydrophobicContact CG-CD2 4.32Å; F127-Y408 HydrophobicContact CE1-CD2 4.23Å; F127-Y408 HydrophobicContact CE1-CE1 4.45Å; F127-Y408 AromaticContact CE1-CE2 3.4Å; F127-Y408 HydrophobicContact CE1-CE2 3.4Å; F127-Y408 AromaticContact CE1-CZ 3.53Å; F127-Y408 WeakPolarHBondContact CE1-OH 3.25Å; F127-Y408 AromaticContact CZ-CD2 3.91Å; F127-Y408 HydrophobicContact CZ-CD2 3.91Å; F127-Y408 AromaticContact CZ-CE2 3.55Å; F127-Y408 HydrophobicContact CZ-CE2 3.55Å; F127-Y408 AromaticContact CZ-CZ 3.89Å; F127-D411 HydrophobicContact CE2-CB 4.42Å; F127-L412 HydrophobicContact CB-CD1 4.46Å; F127-L412 HydrophobicContact CD1-CD1 3.86Å; F127-L412 HydrophobicContact CD2-CB 4.27Å; F127-L412 HydrophobicContact CD2-CD1 3.85Å; F127-L412 HydrophobicContact CE1-CB 4.25Å; F127-L412 HydrophobicContact CE1-CD1 4.04Å; F127-L412 HydrophobicContact CE1-CG 4.5Å; F127-L412 VanDerWaalsContact CE2-CA 3.43Å; F127-L412 HydrophobicContact CE2-CB 3.63Å; F127-L412 HydrophobicContact CE2-CD1 4.05Å; F127-L412 HydrophobicContact CE2-CG 4.42Å; F127-L412 HydrophobicContact CG-CD1 3.78Å; F127-L412 HydrophobicContact CZ-CB 3.62Å; F127-L412 HydrophobicContact CZ-CD1 4.15Å; F127-L412 HydrophobicContact CZ-CG 4.33Å
128T97.8Very high88.1Confident77 Ų7793.7 Ų93.747%0.47246%0.461SS..  trans-71.6159.7175.268.40000110.7K130 D131 L132T128-K130 PolarHBondContact O-N 3.49Å; T128-K130 VanDerWaalsContact O-N 3.17Å; T128-K130 PolarHBondContact OG1-N 3.17Å; T128-D131 WeakPolarHBondContact CB-OD2 3.46Å; T128-D131 PolarHBondContact N-OD2 2.9Å; T128-D131 WeakPolarHBondContact O-CA 3.29Å; T128-D131 WeakPolarHBondContact O-CB 3.17Å; T128-D131 PolarHBondContact O-N 2.88Å; T128-D131 PolarHBondContact OG1-N 3.33Å; T128-D131 PolarHBondContact OG1-OD2 3.47Å; T128-L132 PolarHBondContact O-N 3.34Å; T128-L132 VanDerWaalsContact O-N 3.14Å
129L95.8Very high90.6Very high117 Ų11790.8 Ų90.861%0.61345%0.448SS*.Hα-helixtrans-54.5-36.7172.1-173.865.1000111.8D131 L132 T133 H419L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 3.43Å; L129-L132 PolarHBondContact O-N 3.02Å; L129-T133 WeakPolarHBondContact O-CB 3.38Å; L129-T133 PolarHBondContact O-N 3.2Å; L129-T133 PolarHBondContact O-OG1 2.84Å; L129-H419 WeakPolarHBondContact CD1-NE2 3.15Å
130K96.2Very high93.1Very high171 Ų17186.7 Ų86.774%0.74342%0.42SS*.Hα-helixtrans-62.5-32.8174.4-175.8-179.7178.2-177.90112.1T128 R134T128-K130 PolarHBondContact O-N 3.49Å; T128-K130 VanDerWaalsContact O-N 3.17Å; T128-K130 PolarHBondContact OG1-N 3.17Å; K130-R134 PolarHBondContact O-NH1 3.26Å
131D97.2Very high94.4Very high13 Ų1380.5 Ų80.57%0.0740%0.399CS..Hα-helixtrans-75.9-32.4178-60.1-49.8000112F127 T128 L129 K344 L412 R416F127-D131 HydrophobicContact CB-CB 4.06Å; F127-D131 HydrophobicContact CD1-CB 4.25Å; T128-D131 WeakPolarHBondContact CB-OD2 3.46Å; T128-D131 PolarHBondContact N-OD2 2.9Å; T128-D131 WeakPolarHBondContact O-CA 3.29Å; T128-D131 WeakPolarHBondContact O-CB 3.17Å; T128-D131 PolarHBondContact O-N 2.88Å; T128-D131 PolarHBondContact OG1-N 3.33Å; T128-D131 PolarHBondContact OG1-OD2 3.47Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 3.43Å; D131-K344 HydrophobicContact CB-CD 4.3Å; D131-K344 HydrophobicContact CB-CG 4.44Å; D131-K344 WeakPolarHBondContact OD1-CD 3.4Å; D131-K344 WeakPolarHBondContact OD1-CE 3.33Å; D131-K344 IonicContact OD1-NZ 3.81Å; D131-K344 PolarHBondContact OD1-NZ 3.03Å; D131-K344 IonicContact OD2-NZ 2.79Å; D131-L412 HydrophobicContact CB-CD1 4.49Å; D131-R416 PolarHBondContact O-NE 3.26Å; D131-R416 PolarHBondContact O-NH2 3.15Å
132L97.3Very high95Very high20 Ų2078.6 Ų78.611%0.10540%0.395CS..Hα-helixtrans-82.5-33.5-179.1-59-175.2000113.4F127 T128 L129 R134 L412 Q415 R416 H419F127-L132 HydrophobicContact CB-CD2 3.71Å; F127-L132 HydrophobicContact CB-CG 4.08Å; F127-L132 HydrophobicContact CD2-CD2 4.39Å; F127-L132 HydrophobicContact CG-CD2 4.32Å; T128-L132 PolarHBondContact O-N 3.34Å; T128-L132 VanDerWaalsContact O-N 3.14Å; L129-L132 PolarHBondContact O-N 3.02Å; L132-R134 PolarHBondContact O-N 3.45Å; L132-L412 HydrophobicContact CD2-CD1 4.07Å; L132-Q415 HydrophobicContact CD2-CB 3.55Å; L132-R416 HydrophobicContact CD2-CG 4.25Å; L132-H419 HydrophobicContact CB-CB 4.41Å; L132-H419 HydrophobicContact CD1-CB 4.28Å
133T94.6Very high95.2Very high64 Ų6477.6 Ų77.639%0.39338%0.38SS..  trans-85.9108.9-179.1-61.40000110.6L129 H419L129-T133 WeakPolarHBondContact O-CB 3.38Å; L129-T133 PolarHBondContact O-N 3.2Å; L129-T133 PolarHBondContact O-OG1 2.84Å; T133-H419 PolarHBondContact OG1-CE1 3.35Å
134R95.3Very high95.5Very high49 Ų4974.7 Ų74.719%0.18536%0.36CS..  trans-118.8102.9168.6-70.5-70.8172.4-80.1-0.1108.6K130 L132 K344 M346 A347 T365 R416K130-R134 PolarHBondContact O-NH1 3.26Å; L132-R134 PolarHBondContact O-N 3.45Å; R134-K344 PolarHBondContact NH2-O 2.88Å; R134-M346 PolarHBondContact NE-O 3.49Å; R134-A347 WeakPolarHBondContact CD-O 3.49Å; R134-T365 HydrophobicContact CB-CG2 4.16Å; R134-R416 VanDerWaalsContact CZ-NH2 3.32Å
135F95.3Very high95.7Very high134 Ų13466 Ų6659%0.58833%0.327SS*.  trans-129129.2169.4176.9-98.5000107.6D137 N367F135-D137 HydrophobicContact CE1-CB 4.36Å; F135-N367 HydrophobicContact CE2-CB 4.49Å
136V95.6Very high95.8Very high13 Ų1362.8 Ų62.88%0.07931%0.313CS..  trans-122.9118.6-179.9178.90000106.7F138 Y237 A347 T365 F366V136-F138 HydrophobicContact CG1-CB 4.11Å; V136-F138 PolarHBondContact O-N 2.92Å; V136-Y237 HydrophobicContact CG1-CD1 3.8Å; V136-Y237 HydrophobicContact CG1-CD2 3.9Å; V136-Y237 HydrophobicContact CG1-CE1 3.42Å; V136-Y237 VanDerWaalsContact CG1-CE1 3.42Å; V136-Y237 HydrophobicContact CG1-CE2 3.49Å; V136-Y237 VanDerWaalsContact CG1-CE2 3.49Å; V136-Y237 HydrophobicContact CG1-CG 4.03Å; V136-Y237 HydrophobicContact CG2-CD1 4.22Å; V136-Y237 HydrophobicContact CG2-CE1 4.28Å; V136-A347 HydrophobicContact CG2-CB 4.17Å; V136-T365 WeakPolarHBondContact CB-O 3.49Å; V136-T365 HydrophobicContact CG2-CG2 4Å; V136-T365 PolarHBondContact N-O 2.87Å; V136-F366 HydrophobicContact CB-CD1 4.06Å; V136-F366 HydrophobicContact CB-CE1 4.25Å; V136-F366 HydrophobicContact CG1-CD1 4.16Å; V136-F366 HydrophobicContact CG1-CE1 4.25Å; V136-F366 HydrophobicContact CG2-CD1 4.5Å; V136-F366 HydrophobicContact CG2-CE1 4.25Å
137D95.1Very high95.9Very high129 Ų12954.9 Ų54.969%0.6927%0.271SS*.  trans-72.975.2168.6-174.825.8000109.2F135 N139F135-D137 HydrophobicContact CE1-CB 4.36Å; D137-N139 PolarHBondContact O-N 3.29Å
138F97Very high96Very high21 Ų2154.6 Ų54.69%0.09227%0.27CS..  trans-76.6107.4-171.5177.6-108.1000111V136 I140 D144 I146 W193 Y237 F366 L368V136-F138 HydrophobicContact CG1-CB 4.11Å; V136-F138 PolarHBondContact O-N 2.92Å; F138-I140 HydrophobicContact CD1-CB 4.45Å; F138-I140 HydrophobicContact CE1-CB 3.78Å; F138-I140 HydrophobicContact CE1-CD1 4.49Å; F138-I140 HydrophobicContact CE1-CG1 4.13Å; F138-I140 HydrophobicContact CZ-CB 4.32Å; F138-I140 HydrophobicContact CZ-CG1 4.42Å; F138-I140 PolarHBondContact O-N 3.43Å; F138-D144 HydrophobicContact CD2-CB 3.73Å; F138-D144 HydrophobicContact CE2-CB 3.63Å; F138-I146 HydrophobicContact CD2-CD1 4.43Å; F138-I146 HydrophobicContact CD2-CG1 4.25Å; F138-I146 HydrophobicContact CE1-CD1 4.29Å; F138-I146 HydrophobicContact CE2-CD1 4.05Å; F138-I146 HydrophobicContact CE2-CG1 3.73Å; F138-I146 HydrophobicContact CZ-CD1 3.98Å; F138-I146 HydrophobicContact CZ-CG1 4.05Å; F138-W193 HydrophobicContact CE1-CE3 4.4Å; F138-W193 AromaticContact CZ-CE3 3.96Å; F138-W193 HydrophobicContact CZ-CE3 3.96Å; F138-Y237 AromaticContact CD2-CD2 3.89Å; F138-Y237 HydrophobicContact CD2-CD2 3.89Å; F138-Y237 AromaticContact CD2-CE2 3.98Å; F138-Y237 HydrophobicContact CD2-CE2 3.98Å; F138-Y237 HydrophobicContact CE2-CD2 4.35Å; F138-F366 HydrophobicContact CB-CB 4.33Å; F138-F366 HydrophobicContact CB-CD1 4.01Å; F138-F366 HydrophobicContact CD2-CD1 4.34Å; F138-F366 HydrophobicContact CG-CD1 4.17Å; F138-L368 HydrophobicContact CD1-CD1 4.1Å; F138-L368 HydrophobicContact CE1-CD1 4.25Å
139N95.8Very high96Very high81 Ų8150.9 Ų50.943%0.43325%0.247SC..  trans-96.391.8179-173-5.9000111.6D137 K141 G142 D144D137-N139 PolarHBondContact O-N 3.29Å; N139-K141 PolarHBondContact O-N 3.14Å; N139-K141 PolarHBondContact OD1-N 3.05Å; N139-K141 VanDerWaalsContact OD1-N 3.09Å; N139-G142 WeakPolarHBondContact O-CA 3.24Å; N139-G142 PolarHBondContact O-N 3.05Å; N139-G142 PolarHBondContact OD1-N 2.92Å; N139-D144 PolarHBondContact N-OD2 2.82Å
140I95.6Very high96.2Very high29 Ų2945.8 Ų45.815%0.14922%0.22CC..THydrogen-bonded Turntrans-60.5-28.9176.9-162.3172.3000113.3F138 L169 R186 W193F138-I140 HydrophobicContact CD1-CB 4.45Å; F138-I140 HydrophobicContact CE1-CB 3.78Å; F138-I140 HydrophobicContact CE1-CD1 4.49Å; F138-I140 HydrophobicContact CE1-CG1 4.13Å; F138-I140 HydrophobicContact CZ-CB 4.32Å; F138-I140 HydrophobicContact CZ-CG1 4.42Å; F138-I140 PolarHBondContact O-N 3.43Å; I140-L169 HydrophobicContact CD1-CD1 4.48Å; I140-L169 HydrophobicContact CD1-CD2 3.76Å; I140-R186 WeakPolarHBondContact O-CD 3.41Å; I140-R186 WeakPolarHBondContact O-CG 3.48Å; I140-R186 PolarHBondContact O-NH1 3Å; I140-W193 HydrophobicContact CD1-CD2 3.86Å; I140-W193 HydrophobicContact CD1-CE3 4.47Å; I140-W193 HydrophobicContact CD1-CG 3.92Å; I140-W193 HydrophobicContact CD1-CZ2 4.49Å; I140-W193 HydrophobicContact CG1-CB 3.99Å; I140-W193 HydrophobicContact CG1-CD2 4.09Å; I140-W193 HydrophobicContact CG1-CG 3.71Å
141K94.1Very high96.3Very high103 Ų10337.7 Ų37.745%0.44819%0.185SC..THydrogen-bonded Turntrans-80.5-23177.2-63.1-175.8-179.7-173.90112.5N139 E170 P187 K189N139-K141 PolarHBondContact O-N 3.14Å; N139-K141 PolarHBondContact OD1-N 3.05Å; N139-K141 VanDerWaalsContact OD1-N 3.09Å; K141-E170 WeakPolarHBondContact CE-OE2 3.16Å; K141-E170 IonicContact NZ-OE1 2.84Å; K141-E170 PolarHBondContact NZ-OE1 3.48Å; K141-E170 IonicContact NZ-OE2 3.86Å; K141-E170 PolarHBondContact NZ-OE2 2.73Å; K141-P187 HydrophobicContact CG-CG 4.23Å; K141-K189 PolarHBondContact O-NZ 3.27Å
142G91.8Very high96.3Very high16 Ų1637.2 Ų37.217%0.16518%0.182CC..THydrogen-bonded Turntrans-76.9-137.317800000113.1N139 R186N139-G142 WeakPolarHBondContact O-CA 3.24Å; N139-G142 PolarHBondContact O-N 3.05Å; N139-G142 PolarHBondContact OD1-N 2.92Å; G142-R186 WeakPolarHBondContact O-CD 3.36Å; G142-R186 PolarHBondContact O-NE 3.34Å; G142-R186 VanDerWaalsContact O-NE 3.07Å; G142-R186 PolarHBondContact O-NH1 2.84Å
143R91.1Very high96.4Very high86 Ų8638.4 Ų38.433%0.32519%0.186SC..THydrogen-bonded Turntrans-115.66.7-176-65-177.768.874.3-5.2113.6R186 H232 R234R143-R186 PolarHBondContact O-NH2 2.78Å; R143-H232 PolarHBondContact NE-O 3.31Å; R143-R234 HydrophobicContact CB-CG 4.2Å; R143-R234 WeakPolarHBondContact O-CD 3.12Å
144D95.9Very high96.5Very high11 Ų1135.3 Ų35.36%0.05917%0.168CC..  trans-72.4139.4-175.5-66.6-6000111.8F138 N139 R186 N235 Y237F138-D144 HydrophobicContact CD2-CB 3.73Å; F138-D144 HydrophobicContact CE2-CB 3.63Å; N139-D144 PolarHBondContact N-OD2 2.82Å; D144-R186 PolarHBondContact O-NH1 3.27Å; D144-R186 PolarHBondContact O-NH2 2.77Å; D144-N235 WeakPolarHBondContact OD1-CB 3.41Å; D144-N235 PolarHBondContact OD1-ND2 3.46Å; D144-Y237 HydrophobicContact CB-CD2 4.31Å; D144-Y237 HydrophobicContact CB-CE2 3.75Å
145V97.6Very high96.5Very high0 Ų034.2 Ų34.20%017%0.172CC..EExtended strand (participates in β ladder)trans-130.8123.8-178.9-179.70000109.8V147 W193 F195 M221 N235 F236 Y237V145-V147 HydrophobicContact CG1-CG2 4.19Å; V145-W193 VanDerWaalsContact CA-O 3.31Å; V145-W193 WeakPolarHBondContact CA-O 3.42Å; V145-F195 HydrophobicContact CG1-CB 4.11Å; V145-M221 HydrophobicContact CG1-CE 4.03Å; V145-M221 HydrophobicContact CG2-CE 3.86Å; V145-N235 PolarHBondContact N-O 3.39Å; V145-F236 HydrophobicContact CB-CD1 3.85Å; V145-F236 HydrophobicContact CB-CE1 4.09Å; V145-F236 HydrophobicContact CG1-CD1 4.2Å; V145-F236 HydrophobicContact CG1-CE1 4.4Å; V145-F236 HydrophobicContact CG2-CD1 4.46Å; V145-F236 HydrophobicContact CG2-CE1 4.22Å; V145-F236 WeakPolarHBondContact O-CA 3.46Å; V145-Y237 PolarHBondContact O-N 3.47Å
146I98.7Very high96.5Very high1 Ų127.9 Ų27.91%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-81.3130.2167.7-68.1174.3000108.6F138 W193 L194 F195 Y237 I239 F362 F366F138-I146 HydrophobicContact CD2-CD1 4.43Å; F138-I146 HydrophobicContact CD2-CG1 4.25Å; F138-I146 HydrophobicContact CE1-CD1 4.29Å; F138-I146 HydrophobicContact CE2-CD1 4.05Å; F138-I146 HydrophobicContact CE2-CG1 3.73Å; F138-I146 HydrophobicContact CZ-CD1 3.98Å; F138-I146 HydrophobicContact CZ-CG1 4.05Å; I146-W193 HydrophobicContact CD1-CZ3 4.36Å; I146-W193 PolarHBondContact N-O 3.26Å; I146-L194 HydrophobicContact CB-CD1 3.95Å; I146-L194 HydrophobicContact CG2-CD1 3.79Å; I146-F195 PolarHBondContact O-N 3.47Å; I146-Y237 WeakPolarHBondContact CA-O 3.42Å; I146-I239 HydrophobicContact CG2-CD1 3.48Å; I146-I239 VanDerWaalsContact CG2-CD1 3.48Å; I146-I239 HydrophobicContact CG2-CG1 3.91Å; I146-I239 HydrophobicContact CG2-CG2 4.38Å; I146-F362 HydrophobicContact CD1-CZ 4.36Å; I146-F366 HydrophobicContact CD1-CD1 4Å; I146-F366 HydrophobicContact CD1-CD2 4.47Å; I146-F366 HydrophobicContact CD1-CE1 4.04Å; I146-F366 HydrophobicContact CD1-CE2 4.49Å; I146-F366 HydrophobicContact CD1-CG 4.23Å; I146-F366 HydrophobicContact CD1-CZ 4.28Å; I146-F366 HydrophobicContact CG1-CD1 4.37Å; I146-F366 HydrophobicContact CG1-CE1 4Å; I146-F366 HydrophobicContact CG1-CZ 4.31Å
147V98.8Very high96.5Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-115.2111.3179.5-174.50000109.2V145 F195 L213 V217 F236 Y237 Y238 I239V145-V147 HydrophobicContact CG1-CG2 4.19Å; V147-F195 HydrophobicContact CG1-CB 4.35Å; V147-F195 HydrophobicContact CG1-CD1 4.1Å; V147-F195 HydrophobicContact CG2-CB 4.21Å; V147-L213 HydrophobicContact CG1-CD1 4.36Å; V147-V217 HydrophobicContact CG1-CG2 4.13Å; V147-V217 HydrophobicContact CG2-CG1 3.99Å; V147-F236 HydrophobicContact CG2-CB 4.17Å; V147-F236 HydrophobicContact CG2-CD1 3.96Å; V147-Y237 PolarHBondContact N-O 2.85Å; V147-Y238 HydrophobicContact CB-CD1 3.93Å; V147-Y238 HydrophobicContact CB-CE1 4.04Å; V147-Y238 HydrophobicContact CB-CG 4.25Å; V147-Y238 HydrophobicContact CG1-CD1 3.83Å; V147-Y238 HydrophobicContact CG1-CE1 3.65Å; V147-Y238 HydrophobicContact CG2-CE1 4.49Å; V147-Y238 CarbonylContact O-C 3.57Å; V147-Y238 WeakPolarHBondContact O-CA 3.28Å; V147-I239 PolarHBondContact O-N 2.88Å
148F98.9Very high96.6Very high11 Ų1125.9 Ų25.95%0.04814%0.136CC..EExtended strand (participates in β ladder)trans-94.1103.6-179.5177.9-144.2000111.8H150 G156 F159 L163 F195 I239 M241F148-H150 HydrophobicContact CD1-CB 4.45Å; F148-H150 HydrophobicContact CE1-CB 4.01Å; F148-H150 HydrophobicContact CE2-CB 4.46Å; F148-H150 HydrophobicContact CZ-CB 4Å; F148-H150 PolarHBondContact O-N 3.21Å; F148-G156 WeakPolarHBondContact CE1-O 3.41Å; F148-F159 HydrophobicContact CD2-CD1 4.3Å; F148-F159 HydrophobicContact CD2-CE1 4.35Å; F148-F159 HydrophobicContact CE1-CD1 4.17Å; F148-F159 AromaticContact CE2-CD1 3.81Å; F148-F159 HydrophobicContact CE2-CD1 3.81Å; F148-F159 HydrophobicContact CE2-CE1 4.23Å; F148-F159 AromaticContact CZ-CD1 3.74Å; F148-F159 HydrophobicContact CZ-CD1 3.74Å; F148-L163 HydrophobicContact CB-CD1 4.08Å; F148-L163 HydrophobicContact CD1-CD1 4.02Å; F148-L163 HydrophobicContact CG-CD1 4.07Å; F148-F195 PolarHBondContact N-O 3.06Å; F148-I239 HydrophobicContact CB-CD1 4.37Å; F148-I239 HydrophobicContact CB-CG1 4.06Å; F148-I239 HydrophobicContact CD2-CG1 4.06Å; F148-I239 HydrophobicContact CG-CG1 4.44Å; F148-M241 HydrophobicContact CE2-CG 4.25Å; F148-M241 HydrophobicContact CZ-CG 4.41Å
149L98.9Very high96.6Very high0 Ų024.9 Ų24.90%013%0.132CC..EExtended strand (participates in β ladder)trans-76.7106.8170-170.2168.4000108.9I151 W210 L213 I239 T240 L312 M346L149-I151 HydrophobicContact CD2-CD1 4.09Å; L149-I151 HydrophobicContact CD2-CG1 3.41Å; L149-I151 VanDerWaalsContact CD2-CG1 3.41Å; L149-W210 HydrophobicContact CD1-CB 3.86Å; L149-L213 HydrophobicContact CB-CD1 3.7Å; L149-L213 HydrophobicContact CD1-CD1 4.16Å; L149-L213 HydrophobicContact CG-CD1 3.72Å; L149-I239 PolarHBondContact N-O 2.97Å; L149-T240 WeakPolarHBondContact O-CB 3.49Å; L149-T240 PolarHBondContact O-OG1 2.87Å; L149-L312 HydrophobicContact CD1-CD2 4.12Å; L149-M346 HydrophobicContact CD1-CE 4.06Å
150H98.8Very high96.7Very high10 Ų1021.1 Ų21.15%0.04611%0.112CC..  trans-98.298.3-176178.8-165.9000111.1F148 G156 W202 H207F148-H150 HydrophobicContact CD1-CB 4.45Å; F148-H150 HydrophobicContact CE1-CB 4.01Å; F148-H150 HydrophobicContact CE2-CB 4.46Å; F148-H150 HydrophobicContact CZ-CB 4Å; F148-H150 PolarHBondContact O-N 3.21Å; H150-G156 WeakPolarHBondContact NE2-CA 3.26Å; H150-W202 HydrophobicContact CB-CH2 4.39Å; H150-W202 AromaticContact ND1-CH2 3.86Å; H150-H207 AromaticContact CE1-CE1 3.62Å; H150-H207 AromaticContact CG-CE1 3.9Å; H150-H207 AromaticContact ND1-CE1 3.61Å; H150-H207 AromaticContact NE2-CE1 3.92Å; H150-H207 PolarHBondContact O-ND1 2.91Å
151I98.8Very high96.8Very high0 Ų025.9 Ų25.90%013%0.128CC..  trans-73.1139.5171.8-55.8174.7000109.7L149 K153 T154 L242 R307 Q308 M311 L312L149-I151 HydrophobicContact CD2-CD1 4.09Å; L149-I151 HydrophobicContact CD2-CG1 3.41Å; L149-I151 VanDerWaalsContact CD2-CG1 3.41Å; I151-K153 PolarHBondContact O-N 3.38Å; I151-T154 HydrophobicContact CB-CG2 3.92Å; I151-T154 HydrophobicContact CG2-CG2 3.94Å; I151-T154 PolarHBondContact O-OG1 2.89Å; I151-L242 HydrophobicContact CD1-CD2 3.83Å; I151-R307 HydrophobicContact CG2-CG 4.03Å; I151-Q308 HydrophobicContact CD1-CB 4.37Å; I151-Q308 HydrophobicContact CD1-CG 4.33Å; I151-Q308 HydrophobicContact CG2-CG 4.12Å; I151-M311 HydrophobicContact CB-SD 4.42Å; I151-M311 HydrophobicContact CD1-CB 4.48Å; I151-M311 HydrophobicContact CG1-CB 4.25Å; I151-M311 HydrophobicContact CG1-CE 4.39Å; I151-M311 HydrophobicContact CG1-SD 4.41Å; I151-M311 HydrophobicContact CG2-SD 3.9Å; I151-L312 HydrophobicContact CD1-CD1 4.17Å; I151-L312 HydrophobicContact CD1-CD2 4.33Å; I151-L312 HydrophobicContact CD1-CG 3.98Å
152Q98.6Very high97Very high4 Ų422.4 Ų22.42%0.01911%0.113CC..THydrogen-bonded Turntrans-57.4134.6178.9-66.880.7-12.400110.5T154 H207 W262 R307 M311Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 3.29Å; Q152-H207 VanDerWaalsContact NE2-CG 3.32Å; Q152-W262 HydrophobicContact CB-CH2 4.22Å; Q152-W262 HydrophobicContact CB-CZ2 4.01Å; Q152-W262 HydrophobicContact CG-CD2 3.91Å; Q152-W262 HydrophobicContact CG-CE3 4.3Å; Q152-W262 HydrophobicContact CG-CG 4.42Å; Q152-W262 HydrophobicContact CG-CH2 4.09Å; Q152-W262 HydrophobicContact CG-CZ2 3.64Å; Q152-W262 HydrophobicContact CG-CZ3 4.39Å; Q152-R307 VanDerWaalsContact CD-NH1 3.25Å; Q152-M311 PolarHBondContact OE1-SD 3.27Å
153K97.6Very high97.3Very high44 Ų4421.7 Ų21.719%0.19111%0.106CC..THydrogen-bonded Turntrans67.717.5169.6-42.1-51.1-56-1720116.6I151 G155 R243 R248 S251 E252 H255 W262I151-K153 PolarHBondContact O-N 3.38Å; K153-G155 VanDerWaalsContact C-N 3.34Å; K153-G155 PolarHBondContact O-N 2.72Å; K153-R243 WeakPolarHBondContact O-CD 3.37Å; K153-R243 PolarHBondContact O-NH1 2.95Å; K153-R248 HydrophobicContact CB-CG 4.23Å; K153-S251 VanDerWaalsContact CE-O 3.27Å; K153-S251 WeakPolarHBondContact CE-O 3.26Å; K153-S251 WeakPolarHBondContact CE-OG 3.17Å; K153-E252 HydrophobicContact CG-CB 3.77Å; K153-E252 HydrophobicContact CG-CG 4.29Å; K153-H255 HydrophobicContact CD-CB 4.23Å; K153-H255 VanDerWaalsContact NZ-CG 3.33Å; K153-H255 PolarHBondContact NZ-ND1 3.02Å; K153-W262 HydrophobicContact CD-CH2 4.15Å; K153-W262 HydrophobicContact CD-CZ2 4.16Å
154T97.8Very high97.7Very high0 Ų018 Ų180%09%0.093CC..SBendtrans-95.729.8173.762.40000113.4I151 Q152 G156 M241 R243 R248 T352I151-T154 HydrophobicContact CB-CG2 3.92Å; I151-T154 HydrophobicContact CG2-CG2 3.94Å; I151-T154 PolarHBondContact O-OG1 2.89Å; Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 3.29Å; T154-G156 PolarHBondContact O-N 3.47Å; T154-G156 VanDerWaalsContact O-N 3.09Å; T154-M241 WeakPolarHBondContact CB-O 3.25Å; T154-M241 WeakPolarHBondContact CG2-O 3.21Å; T154-M241 WeakPolarHBondContact O-CB 3.48Å; T154-M241 PolarHBondContact OG1-O 2.97Å; T154-R243 HydrophobicContact CG2-CB 4.18Å; T154-R248 HydrophobicContact CG2-CG 4.21Å; T154-T352 VanDerWaalsContact C-OG1 3.3Å; T154-T352 PolarHBondContact O-OG1 3.13Å; T154-T352 VanDerWaalsContact O-OG1 3.05Å
155G95.8Very high97.7Very high26 Ų2624.1 Ų24.127%0.26812%0.119SC..SBendtrans68.86.9-177.300000114.9K153 T157 T158 F159K153-G155 VanDerWaalsContact C-N 3.34Å; K153-G155 PolarHBondContact O-N 2.72Å; G155-T157 PolarHBondContact O-N 2.71Å; G155-T158 WeakPolarHBondContact O-CB 3.43Å; G155-T158 PolarHBondContact O-N 2.89Å; G155-F159 PolarHBondContact O-N 3.42Å
156G95Very high97.8Very high1 Ų124.9 Ų24.91%0.0112%0.123CC..Hα-helixtrans-63.4-16.7-173.900000115.9F148 H150 T154 G160F148-G156 WeakPolarHBondContact CE1-O 3.41Å; H150-G156 WeakPolarHBondContact NE2-CA 3.26Å; T154-G156 PolarHBondContact O-N 3.47Å; T154-G156 VanDerWaalsContact O-N 3.09Å; G156-G160 WeakPolarHBondContact O-CA 3.23Å; G156-G160 PolarHBondContact O-N 3.48Å
157T95.2Very high97.7Very high46 Ų4625.2 Ų25.228%0.28213%0.125SC..Hα-helixtrans-68.1-39.2168.9-66.60000111.9G155 R161 R197 F198G155-T157 PolarHBondContact O-N 2.71Å; T157-R161 VanDerWaalsContact O-CG 3.3Å; T157-R161 WeakPolarHBondContact O-CG 3.13Å; T157-R161 PolarHBondContact O-N 2.99Å; T157-R197 PolarHBondContact OG1-NH1 2.69Å; T157-F198 HydrophobicContact CG2-CZ 4.18Å; T157-F198 WeakPolarHBondContact O-CE2 3.34Å
158T96.6Very high97.7Very high53 Ų5333.3 Ų33.333%0.32516%0.155SC..Hα-helixtrans-72.2-51.3176.4-58.60000110G155 G160 R161 H162G155-T158 WeakPolarHBondContact O-CB 3.43Å; G155-T158 PolarHBondContact O-N 2.89Å; T158-G160 PolarHBondContact O-N 3.38Å; T158-R161 WeakPolarHBondContact O-CB 3.48Å; T158-R161 PolarHBondContact O-N 3.41Å; T158-H162 PolarHBondContact O-CD2 3.27Å; T158-H162 PolarHBondContact O-N 3.15Å; T158-H162 VanDerWaalsContact O-N 3.09Å
159F98.2Very high97.6Very high1 Ų134.1 Ų34.10%0.00416%0.16CC..Hα-helixtrans-59.1-45.9178.7-174.9-110.1000112.5F148 G155 R161 H162 L163 I239 M241 F348 T358 F362 F374F148-F159 HydrophobicContact CD2-CD1 4.3Å; F148-F159 HydrophobicContact CD2-CE1 4.35Å; F148-F159 HydrophobicContact CE1-CD1 4.17Å; F148-F159 AromaticContact CE2-CD1 3.81Å; F148-F159 HydrophobicContact CE2-CD1 3.81Å; F148-F159 HydrophobicContact CE2-CE1 4.23Å; F148-F159 AromaticContact CZ-CD1 3.74Å; F148-F159 HydrophobicContact CZ-CD1 3.74Å; G155-F159 PolarHBondContact O-N 3.42Å; F159-R161 PolarHBondContact O-N 2.88Å; F159-H162 WeakPolarHBondContact O-CA 3.49Å; F159-H162 WeakPolarHBondContact O-CB 3.41Å; F159-H162 PolarHBondContact O-N 3.37Å; F159-L163 HydrophobicContact CD1-CD1 4.22Å; F159-L163 HydrophobicContact CD1-CG 4.45Å; F159-L163 HydrophobicContact CE1-CD1 3.91Å; F159-L163 HydrophobicContact CE1-CD2 4.14Å; F159-L163 HydrophobicContact CE1-CG 4.17Å; F159-L163 HydrophobicContact CZ-CD2 3.98Å; F159-L163 HydrophobicContact CZ-CG 4.43Å; F159-L163 PolarHBondContact O-N 2.98Å; F159-L163 VanDerWaalsContact O-N 3.09Å; F159-I239 HydrophobicContact CE1-CD1 3.84Å; F159-I239 HydrophobicContact CZ-CD1 4.22Å; F159-M241 HydrophobicContact CB-CG 3.85Å; F159-M241 HydrophobicContact CB-SD 4.22Å; F159-M241 HydrophobicContact CD1-CG 3.63Å; F159-M241 HydrophobicContact CD1-SD 4.04Å; F159-M241 HydrophobicContact CD2-CG 4.45Å; F159-M241 HydrophobicContact CD2-SD 3.9Å; F159-M241 HydrophobicContact CE1-CG 4.29Å; F159-M241 HydrophobicContact CE1-SD 4.38Å; F159-M241 HydrophobicContact CE2-SD 4.26Å; F159-M241 HydrophobicContact CG-CG 3.72Å; F159-M241 HydrophobicContact CG-SD 3.78Å; F159-M241 HydrophobicContact CZ-SD 4.49Å; F159-F348 HydrophobicContact CE2-CE1 4.29Å; F159-F348 HydrophobicContact CZ-CD1 4.43Å; F159-F348 AromaticContact CZ-CE1 3.82Å; F159-F348 HydrophobicContact CZ-CE1 3.82Å; F159-T358 HydrophobicContact CD2-CG2 4.39Å; F159-T358 HydrophobicContact CE2-CG2 4.18Å; F159-F362 HydrophobicContact CE2-CD2 4.45Å; F159-F362 AromaticContact CZ-CD2 3.88Å; F159-F362 HydrophobicContact CZ-CD2 3.88Å; F159-F362 HydrophobicContact CZ-CE2 4.16Å; F159-F374 AromaticContact CD2-CE2 3.83Å; F159-F374 HydrophobicContact CD2-CE2 3.83Å; F159-F374 HydrophobicContact CD2-CZ 4.13Å; F159-F374 HydrophobicContact CE2-CE2 4.04Å; F159-F374 HydrophobicContact CE2-CZ 4.19Å
160G97.9Very high97.4Very high1 Ų141.1 Ų41.11%0.0119%0.193CC..Hα-helixtrans-59.8-32.9176.300000113.4G156 T158 L163 V164G156-G160 WeakPolarHBondContact O-CA 3.23Å; G156-G160 PolarHBondContact O-N 3.48Å; T158-G160 PolarHBondContact O-N 3.38Å; G160-L163 PolarHBondContact O-N 3.27Å; G160-V164 PolarHBondContact O-N 2.68Å
161R97.3Very high97.3Very high130 Ų13044 Ų4449%0.49121%0.206SC..Hα-helixtrans-69.3-38.5173-75.2176.1-165141.5-3.3111.6T157 T158 F159 L163 V164 K165 F198T157-R161 VanDerWaalsContact O-CG 3.3Å; T157-R161 WeakPolarHBondContact O-CG 3.13Å; T157-R161 PolarHBondContact O-N 2.99Å; T158-R161 WeakPolarHBondContact O-CB 3.48Å; T158-R161 PolarHBondContact O-N 3.41Å; F159-R161 PolarHBondContact O-N 2.88Å; R161-L163 VanDerWaalsContact C-N 3.27Å; R161-L163 PolarHBondContact O-N 3.13Å; R161-V164 PolarHBondContact O-N 3.49Å; R161-K165 WeakPolarHBondContact O-CB 3.16Å; R161-K165 PolarHBondContact O-N 2.72Å; R161-F198 HydrophobicContact CG-CD2 4.32Å; R161-F198 HydrophobicContact CG-CE2 3.85Å; R161-F198 HydrophobicContact CG-CZ 4.38Å
162H98.3Very high97.2Very high29 Ų2948.4 Ų48.413%0.13424%0.235CC..Hα-helixtrans-58.9-41.3173.9-70.2-60.7000111.3T158 F159 V164 N166 I167 F370 F374T158-H162 PolarHBondContact O-CD2 3.27Å; T158-H162 PolarHBondContact O-N 3.15Å; T158-H162 VanDerWaalsContact O-N 3.09Å; F159-H162 WeakPolarHBondContact O-CA 3.49Å; F159-H162 WeakPolarHBondContact O-CB 3.41Å; F159-H162 PolarHBondContact O-N 3.37Å; H162-V164 VanDerWaalsContact C-N 3.31Å; H162-V164 PolarHBondContact O-N 3Å; H162-N166 HydrophobicContact CB-CB 4.07Å; H162-N166 PolarHBondContact ND1-ND2 3.02Å; H162-N166 WeakPolarHBondContact O-CA 3.19Å; H162-N166 WeakPolarHBondContact O-CB 3.46Å; H162-N166 PolarHBondContact O-N 2.98Å; H162-I167 PolarHBondContact O-N 3.21Å; H162-F370 HydrophobicContact CB-CD1 4.25Å; H162-F370 HydrophobicContact CB-CE1 3.83Å; H162-F374 HydrophobicContact CB-CE1 3.65Å; H162-F374 HydrophobicContact CB-CZ 3.66Å; H162-F374 AromaticContact CD2-CD1 3.83Å; H162-F374 AromaticContact CD2-CE1 3.53Å; H162-F374 AromaticContact CD2-CE2 3.96Å; H162-F374 AromaticContact CD2-CZ 3.6Å; H162-F374 AromaticContact CE1-CD1 3.7Å; H162-F374 AromaticContact CE1-CE1 3.92Å; H162-F374 AromaticContact CG-CD1 3.92Å; H162-F374 AromaticContact CG-CE1 3.33Å; H162-F374 AromaticContact CG-CZ 3.64Å; H162-F374 AromaticContact ND1-CD1 3.84Å; H162-F374 AromaticContact ND1-CE1 3.6Å; H162-F374 AromaticContact NE2-CD1 3.74Å; H162-F374 AromaticContact NE2-CE1 3.94Å; H162-F374 AromaticContact NE2-CG 3.98Å
163L98.4Very high97.2Very high1 Ų149 Ų491%0.00524%0.239CC..Hα-helixtrans-60.4-36.3178.3-61.4178.7000113.8F148 F159 G160 R161 I167 L194 I239 F362F148-L163 HydrophobicContact CB-CD1 4.08Å; F148-L163 HydrophobicContact CD1-CD1 4.02Å; F148-L163 HydrophobicContact CG-CD1 4.07Å; F159-L163 HydrophobicContact CD1-CD1 4.22Å; F159-L163 HydrophobicContact CD1-CG 4.45Å; F159-L163 HydrophobicContact CE1-CD1 3.91Å; F159-L163 HydrophobicContact CE1-CD2 4.14Å; F159-L163 HydrophobicContact CE1-CG 4.17Å; F159-L163 HydrophobicContact CZ-CD2 3.98Å; F159-L163 HydrophobicContact CZ-CG 4.43Å; F159-L163 PolarHBondContact O-N 2.98Å; F159-L163 VanDerWaalsContact O-N 3.09Å; G160-L163 PolarHBondContact O-N 3.27Å; R161-L163 VanDerWaalsContact C-N 3.27Å; R161-L163 PolarHBondContact O-N 3.13Å; L163-I167 HydrophobicContact CD2-CD1 4.11Å; L163-L194 HydrophobicContact CB-CD2 3.95Å; L163-L194 HydrophobicContact CD1-CD1 4.23Å; L163-I239 HydrophobicContact CD1-CD1 4Å; L163-I239 HydrophobicContact CD2-CD1 4.37Å; L163-F362 HydrophobicContact CD2-CE1 4.45Å; L163-F362 HydrophobicContact CD2-CE2 3.65Å; L163-F362 HydrophobicContact CD2-CZ 3.59Å
164V98.1Very high97.1Very high8 Ų850.1 Ų50.15%0.04825%0.253CS..Hα-helixtrans-97.4-17.9-176.2-61.40000114.5G160 R161 H162 C173 C182 L194 F198G160-V164 PolarHBondContact O-N 2.68Å; R161-V164 PolarHBondContact O-N 3.49Å; H162-V164 VanDerWaalsContact C-N 3.31Å; H162-V164 PolarHBondContact O-N 3Å; V164-C173 WeakPolarHBondContact O-CB 3.42Å; V164-C182 HydrophobicContact CB-CB 4.32Å; V164-L194 HydrophobicContact CG1-CD2 3.69Å; V164-F198 HydrophobicContact CG1-CB 3.92Å; V164-F198 HydrophobicContact CG2-CB 4.01Å
165K97.3Very high97.1Very high140 Ų14052.1 Ų52.161%0.60927%0.266SS*.Hα-helixtrans-126-16.9-173.7-73.7178.2179-162.60115.1R161R161-K165 WeakPolarHBondContact O-CB 3.16Å; R161-K165 PolarHBondContact O-N 2.72Å
166N97.9Very high96.9Very high16 Ų1657.3 Ų57.39%0.08628%0.281CS..SBendtrans-120.81.8-167.7-162.736.2000113.6H162 F370 I371 S372H162-N166 HydrophobicContact CB-CB 4.07Å; H162-N166 PolarHBondContact ND1-ND2 3.02Å; H162-N166 WeakPolarHBondContact O-CA 3.19Å; H162-N166 WeakPolarHBondContact O-CB 3.46Å; H162-N166 PolarHBondContact O-N 2.98Å; N166-F370 HydrophobicContact CB-CD1 4.06Å; N166-F370 CarbonylContact O-C 3.59Å; N166-F370 WeakPolarHBondContact O-CA 3.35Å; N166-F370 WeakPolarHBondContact O-CB 3.48Å; N166-F370 WeakPolarHBondContact O-CD1 3.31Å; N166-I371 PolarHBondContact O-N 3.18Å; N166-S372 PolarHBondContact ND2-O 2.83Å; N166-S372 WeakPolarHBondContact OD1-CB 3.33Å; N166-S372 PolarHBondContact OD1-N 3.32Å
167I98.1Very high96.6Very high9 Ų962.3 Ų62.35%0.04632%0.322CS..BIsolated β-bridgetrans-87133.7173.7-58179.1000108.8H162 L163 L169 W193 F362 L368 F370H162-I167 PolarHBondContact O-N 3.21Å; L163-I167 HydrophobicContact CD2-CD1 4.11Å; I167-L169 HydrophobicContact CB-CD1 4.44Å; I167-L169 HydrophobicContact CB-CD2 4.42Å; I167-L169 HydrophobicContact CB-CG 4.16Å; I167-L169 HydrophobicContact CG2-CD1 4.46Å; I167-L169 HydrophobicContact CG2-CD2 3.59Å; I167-L169 HydrophobicContact CG2-CG 3.8Å; I167-L169 PolarHBondContact O-N 2.81Å; I167-W193 HydrophobicContact CD1-CH2 4.25Å; I167-F362 HydrophobicContact CD1-CE1 4.03Å; I167-F362 HydrophobicContact CD1-CZ 4.12Å; I167-L368 HydrophobicContact CD1-CD1 4.49Å; I167-L368 HydrophobicContact CG2-CB 4.24Å; I167-L368 HydrophobicContact CG2-CD1 4.28Å; I167-L368 HydrophobicContact CG2-CD2 4.43Å; I167-F370 HydrophobicContact CD1-CE1 4.16Å; I167-F370 HydrophobicContact CG1-CD1 3.79Å; I167-F370 HydrophobicContact CG1-CE1 3.47Å; I167-F370 VanDerWaalsContact CG1-CE1 3.47Å; I167-F370 HydrophobicContact CG1-CZ 4.25Å
168R97.9Very high96.1Very high170 Ų17064.3 Ų64.364%0.64235%0.352SS*.  trans-73.6109.9171.4-175.2176.7-67.8171.40.4108.9K369 I371R168-K369 PolarHBondContact N-O 2.95Å; R168-I371 HydrophobicContact CB-CG1 4.06Å
169L97Very high95.8Very high28 Ų2867.3 Ų67.315%0.14736%0.363CS..  trans-128.3147.8-176.6-62.6175.6000110.2I140 I167 Q171 W193 L368I140-L169 HydrophobicContact CD1-CD1 4.48Å; I140-L169 HydrophobicContact CD1-CD2 3.76Å; I167-L169 HydrophobicContact CB-CD1 4.44Å; I167-L169 HydrophobicContact CB-CD2 4.42Å; I167-L169 HydrophobicContact CB-CG 4.16Å; I167-L169 HydrophobicContact CG2-CD1 4.46Å; I167-L169 HydrophobicContact CG2-CD2 3.59Å; I167-L169 HydrophobicContact CG2-CG 3.8Å; I167-L169 PolarHBondContact O-N 2.81Å; L169-Q171 VanDerWaalsContact C-N 3.26Å; L169-Q171 PolarHBondContact O-N 2.95Å; L169-W193 HydrophobicContact CD1-CH2 4.09Å; L169-W193 HydrophobicContact CD1-CZ2 3.44Å; L169-W193 VanDerWaalsContact CD1-CZ2 3.44Å; L169-L368 HydrophobicContact CD2-CD2 4.34Å
170E95.1Very high95.3Very high146 Ų14675.5 Ų75.568%0.68240%0.398SS*.SBendtrans-56.4-43.8169.5-178.8-175.6153.700111K141K141-E170 WeakPolarHBondContact CE-OE2 3.16Å; K141-E170 IonicContact NZ-OE1 2.84Å; K141-E170 PolarHBondContact NZ-OE1 3.48Å; K141-E170 IonicContact NZ-OE2 3.86Å; K141-E170 PolarHBondContact NZ-OE2 2.73Å
171Q96.5Very high95.2Very high72 Ų7280.9 Ų80.934%0.33642%0.421SS..SBendtrans-120.7102.7171.7-169.4-176.5-82.600109.5L169 H185 R186 P187L169-Q171 VanDerWaalsContact C-N 3.26Å; L169-Q171 PolarHBondContact O-N 2.95Å; Q171-H185 PolarHBondContact NE2-O 3.24Å; Q171-H185 VanDerWaalsContact NE2-O 3.14Å; Q171-R186 PolarHBondContact NE2-O 3.39Å; Q171-P187 HydrophobicContact CB-CB 4.32Å; Q171-P187 HydrophobicContact CB-CG 4.15Å
172P97.1Very high95.2Very high91 Ų9174.9 Ų74.959%0.59140%0.399SS*.  trans-64.3158.8177.2-22.834.1000112.9
173C97.6Very high95.1Very high17 Ų1776.4 Ų76.412%0.11541%0.411CS..  trans-66.7139170.4-570000111V164 C175 C182 T183 C184V164-C173 WeakPolarHBondContact O-CB 3.42Å; C173-C175 PolarHBondContact O-N 3.36Å; C173-C182 HydrophobicContact CB-CB 4.25Å; C173-T183 CarbonylContact C-O 3.51Å; C173-T183 VanDerWaalsContact CA-O 3.29Å; C173-T183 WeakPolarHBondContact CA-O 3.43Å; C173-C184 HydrophobicContact CB-CB 4.07Å; C173-C184 WeakPolarHBondContact CB-SG 3.34Å; C173-C184 VanDerWaalsContact SG-CA 3.51Å; C173-C184 WeakPolarHBondContact SG-CB 3.33Å; C173-C184 CovalentContact SG-SG 2.04Å; C173-C184 PolarHBondContact SG-SG 2.87Å
174S96.9Very high95.1Very high68 Ų6876.4 Ų76.448%0.47641%0.411SS..BIsolated β-bridgetrans-85.8106.2173.6-1740000110.4C182 T183S174-C182 CarbonylContact O-C 3.58Å; S174-C182 WeakPolarHBondContact O-CA 3.26Å; S174-T183 PolarHBondContact N-O 3.05Å; S174-T183 PolarHBondContact O-N 2.93Å
175C95.9Very high95Very high41 Ų4178.5 Ų78.528%0.27742%0.42SS..  trans-109.3103.6178.2-64.30000110.5C173 C182C173-C175 PolarHBondContact O-N 3.36Å; C175-C182 HydrophobicContact CB-CB 4.02Å; C175-C182 WeakPolarHBondContact CB-SG 3.32Å; C175-C182 WeakPolarHBondContact SG-CB 3.43Å; C175-C182 CovalentContact SG-SG 2.03Å; C175-C182 PolarHBondContact SG-SG 2.97Å
176K92Very high95Very high136 Ų13671.9 Ų71.959%0.59139%0.391SS*.  trans-76.5137.7176.7-63.2-176.6179.5-176.10111Q179K176-Q179 HydrophobicContact CB-CB 4.35Å; K176-Q179 HydrophobicContact CB-CG 4.12Å; K176-Q179 PolarHBondContact O-N 3.09Å; K176-Q179 VanDerWaalsContact O-N 3.1Å
177A88.8Confident94.8Very high105 Ų10572.2 Ų72.287%0.86839%0.394SS*.THydrogen-bonded Turntrans-56.4140.9173.800000110.6Q179A177-Q179 PolarHBondContact O-N 2.83Å
178G85.9Confident94.6Very high89 Ų8975.5 Ų75.592%0.91843%0.431SS*.THydrogen-bonded Turntrans79.5-20.4-174.700000115.3
179Q89.1Confident94.3Very high116 Ų11672 Ų7254%0.54242%0.42SS..  trans-88.3130.9176.1-63-169.5-13.400111.4K176 A177 K181K176-Q179 HydrophobicContact CB-CB 4.35Å; K176-Q179 HydrophobicContact CB-CG 4.12Å; K176-Q179 PolarHBondContact O-N 3.09Å; K176-Q179 VanDerWaalsContact O-N 3.1Å; A177-Q179 PolarHBondContact O-N 2.83Å; Q179-K181 VanDerWaalsContact C-N 3.3Å
180K88.9Confident93.9Very high172 Ų17279.7 Ų79.775%0.74845%0.452SS*.SBendtrans-73.7-22.7175-68.7178.7-179.5168.70112.4F198K180-F198 VanDerWaalsContact O-CD1 3.23Å; K180-F198 WeakPolarHBondContact O-CD1 3.47Å
181K95.7Very high93.8Very high114 Ų11474.7 Ų74.750%0.49643%0.429SS..  trans-107.7130.7-176.1-167.8-179.175.61760110.1Q179 S199Q179-K181 VanDerWaalsContact C-N 3.3Å; K181-S199 VanDerWaalsContact CD-O 3.22Å; K181-S199 WeakPolarHBondContact CD-O 3.14Å; K181-S199 WeakPolarHBondContact CG-O 3.09Å
182C96.9Very high93.7Very high5 Ų572.7 Ų72.73%0.03442%0.421CS..  trans-97.3158.1171.7-55.20000110.6V164 C173 S174 C175 F198 S199V164-C182 HydrophobicContact CB-CB 4.32Å; C173-C182 HydrophobicContact CB-CB 4.25Å; S174-C182 CarbonylContact O-C 3.58Å; S174-C182 WeakPolarHBondContact O-CA 3.26Å; C175-C182 HydrophobicContact CB-CB 4.02Å; C175-C182 WeakPolarHBondContact CB-SG 3.32Å; C175-C182 WeakPolarHBondContact SG-CB 3.43Å; C175-C182 CovalentContact SG-SG 2.03Å; C175-C182 PolarHBondContact SG-SG 2.97Å; C182-F198 WeakPolarHBondContact CB-O 3.5Å; C182-F198 PolarHBondContact N-O 3.25Å; C182-S199 WeakPolarHBondContact O-CA 3.24Å
183T96.9Very high93.7Very high61 Ų6168.4 Ų68.437%0.37439%0.393SS..BIsolated β-bridgetrans-99.7105.4174.4-55.10000108.8C173 S174 H185C173-T183 CarbonylContact C-O 3.51Å; C173-T183 VanDerWaalsContact CA-O 3.29Å; C173-T183 WeakPolarHBondContact CA-O 3.43Å; S174-T183 PolarHBondContact N-O 3.05Å; S174-T183 PolarHBondContact O-N 2.93Å; T183-H185 WeakPolarHBondContact CG2-CE1 3.17Å; T183-H185 WeakPolarHBondContact CG2-NE2 3.38Å
184C97.3Very high93.7Very high1 Ų167.6 Ų67.61%0.00739%0.388CS..  trans-106.173.1-176.9-68.80000110.9C173 T192 W193 L194C173-C184 HydrophobicContact CB-CB 4.07Å; C173-C184 WeakPolarHBondContact CB-SG 3.34Å; C173-C184 VanDerWaalsContact SG-CA 3.51Å; C173-C184 WeakPolarHBondContact SG-CB 3.33Å; C173-C184 CovalentContact SG-SG 2.04Å; C173-C184 PolarHBondContact SG-SG 2.87Å; C184-T192 WeakPolarHBondContact O-CA 3.3Å; C184-W193 HydrophobicContact CB-CZ2 4.25Å; C184-W193 VanDerWaalsContact O-CD1 3.23Å; C184-W193 PolarHBondContact O-N 3.39Å; C184-W193 PolarHBondContact O-NE1 3.09Å; C184-L194 HydrophobicContact CB-CB 4.3Å
185H96.6Very high93.8Very high52 Ų5264.7 Ų64.724%0.24137%0.367CS..BIsolated β-bridgetrans-87.6153.8-178.7-67.6168.3000112.9Q171 T183 K189 K190 E191Q171-H185 PolarHBondContact NE2-O 3.24Å; Q171-H185 VanDerWaalsContact NE2-O 3.14Å; T183-H185 WeakPolarHBondContact CG2-CE1 3.17Å; T183-H185 WeakPolarHBondContact CG2-NE2 3.38Å; H185-K189 WeakPolarHBondContact CB-O 2.91Å; H185-K190 PolarHBondContact NE2-O 2.96Å; H185-E191 CarbonylContact C-O 3.6Å; H185-E191 WeakPolarHBondContact CA-O 3.35Å
186R95.9Very high93.9Very high1 Ų162.9 Ų62.90%0.00436%0.355CS..PPolyproline II helixtrans-63.3152.3169.3-54.9-178.1-174.3-74-4110.3I140 G142 R143 D144 Q171 G188 K189 E191 W193I140-R186 WeakPolarHBondContact O-CD 3.41Å; I140-R186 WeakPolarHBondContact O-CG 3.48Å; I140-R186 PolarHBondContact O-NH1 3Å; G142-R186 WeakPolarHBondContact O-CD 3.36Å; G142-R186 PolarHBondContact O-NE 3.34Å; G142-R186 VanDerWaalsContact O-NE 3.07Å; G142-R186 PolarHBondContact O-NH1 2.84Å; R143-R186 PolarHBondContact O-NH2 2.78Å; D144-R186 PolarHBondContact O-NH1 3.27Å; D144-R186 PolarHBondContact O-NH2 2.77Å; Q171-R186 PolarHBondContact NE2-O 3.39Å; R186-G188 PolarHBondContact O-N 2.91Å; R186-K189 HydrophobicContact CB-CB 4.24Å; R186-K189 PolarHBondContact O-N 2.86Å; R186-E191 HydrophobicContact CG-CB 4.35Å; R186-E191 PolarHBondContact N-O 3.36Å; R186-E191 IonicContact NE-OE2 3.49Å; R186-E191 PolarHBondContact NE-OE2 3.02Å; R186-W193 HydrophobicContact CG-CB 4.16Å
187P95.4Very high94.2Very high22 Ų2260 Ų6014%0.14334%0.34CS..THydrogen-bonded Turntrans-52.6123.2173.5-26.335.2000111.5K141 Q171 K189K141-P187 HydrophobicContact CG-CG 4.23Å; Q171-P187 HydrophobicContact CB-CB 4.32Å; Q171-P187 HydrophobicContact CB-CG 4.15Å; P187-K189 VanDerWaalsContact C-N 3.25Å; P187-K189 PolarHBondContact O-N 3.33Å
188G92.3Very high94.6Very high79 Ų7955.9 Ų55.981%0.81430%0.303SS*.THydrogen-bonded Turntrans70.85.5176.900000116.6R186R186-G188 PolarHBondContact O-N 2.91Å
189K91.6Very high95.1Very high95 Ų9552 Ų5241%0.41326%0.262SS..SBendtrans-126.1164.2178.5-58.7177.4179.2172.50111.5K141 H185 R186 P187 E191K141-K189 PolarHBondContact O-NZ 3.27Å; H185-K189 WeakPolarHBondContact CB-O 2.91Å; R186-K189 HydrophobicContact CB-CB 4.24Å; R186-K189 PolarHBondContact O-N 2.86Å; P187-K189 VanDerWaalsContact C-N 3.25Å; P187-K189 PolarHBondContact O-N 3.33Å; K189-E191 HydrophobicContact CB-CB 4.47Å
190K90.4Very high95.5Very high190 Ų19047.1 Ų47.183%0.82624%0.24SC*.SBendtrans-94.88.2171.6-65.4-177.9-179.9176.20113.3H185H185-K190 PolarHBondContact NE2-O 2.96Å
191E91.4Very high95.8Very high42 Ų4239.7 Ų39.720%0.19621%0.212CC..  trans-82.2143.6177.6-65.7175.3-158.800110.8H185 R186 K189H185-E191 CarbonylContact C-O 3.6Å; H185-E191 WeakPolarHBondContact CA-O 3.35Å; R186-E191 HydrophobicContact CG-CB 4.35Å; R186-E191 PolarHBondContact N-O 3.36Å; R186-E191 IonicContact NE-OE2 3.49Å; R186-E191 PolarHBondContact NE-OE2 3.02Å; K189-E191 HydrophobicContact CB-CB 4.47Å
192T95.1Very high95.9Very high29 Ų2938.4 Ų38.418%0.17820%0.204CC..BIsolated β-bridgetrans-93134.2179.5-63.30000111.2C184 L194 T200 M221C184-T192 WeakPolarHBondContact O-CA 3.3Å; T192-L194 WeakPolarHBondContact CG2-O 3.4Å; T192-T200 HydrophobicContact CG2-CG2 3.99Å; T192-M221 WeakPolarHBondContact O-CE 3.16Å
193W96.8Very high95.9Very high1 Ų140.5 Ų40.50%0.00422%0.219CC..SBendtrans-98.1-8.9176.762.3-95.7000113.9F138 I140 V145 I146 I167 L169 C184 R186F138-W193 HydrophobicContact CE1-CE3 4.4Å; F138-W193 AromaticContact CZ-CE3 3.96Å; F138-W193 HydrophobicContact CZ-CE3 3.96Å; I140-W193 HydrophobicContact CD1-CD2 3.86Å; I140-W193 HydrophobicContact CD1-CE3 4.47Å; I140-W193 HydrophobicContact CD1-CG 3.92Å; I140-W193 HydrophobicContact CD1-CZ2 4.49Å; I140-W193 HydrophobicContact CG1-CB 3.99Å; I140-W193 HydrophobicContact CG1-CD2 4.09Å; I140-W193 HydrophobicContact CG1-CG 3.71Å; V145-W193 VanDerWaalsContact CA-O 3.31Å; V145-W193 WeakPolarHBondContact CA-O 3.42Å; I146-W193 HydrophobicContact CD1-CZ3 4.36Å; I146-W193 PolarHBondContact N-O 3.26Å; I167-W193 HydrophobicContact CD1-CH2 4.25Å; L169-W193 HydrophobicContact CD1-CH2 4.09Å; L169-W193 HydrophobicContact CD1-CZ2 3.44Å; L169-W193 VanDerWaalsContact CD1-CZ2 3.44Å; C184-W193 HydrophobicContact CB-CZ2 4.25Å; C184-W193 VanDerWaalsContact O-CD1 3.23Å; C184-W193 PolarHBondContact O-N 3.39Å; C184-W193 PolarHBondContact O-NE1 3.09Å; R186-W193 HydrophobicContact CG-CB 4.16Å
194L98.3Very high95.9Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-125.9122.3-178.6179.964.4000110.3I146 L163 V164 C184 T192 S199I146-L194 HydrophobicContact CB-CD1 3.95Å; I146-L194 HydrophobicContact CG2-CD1 3.79Å; L163-L194 HydrophobicContact CB-CD2 3.95Å; L163-L194 HydrophobicContact CD1-CD1 4.23Å; V164-L194 HydrophobicContact CG1-CD2 3.69Å; C184-L194 HydrophobicContact CB-CB 4.3Å; T192-L194 WeakPolarHBondContact CG2-O 3.4Å; L194-S199 WeakPolarHBondContact O-CB 3.11Å; L194-S199 PolarHBondContact O-OG 2.86Å
195F98.4Very high95.9Very high8 Ų838.3 Ų38.34%0.03521%0.208CC..EExtended strand (participates in β ladder)trans-100.7109169.1-168-78.2000109.5V145 I146 V147 F148 T200 C204 L213 V217 I220 M221V145-F195 HydrophobicContact CG1-CB 4.11Å; I146-F195 PolarHBondContact O-N 3.47Å; V147-F195 HydrophobicContact CG1-CB 4.35Å; V147-F195 HydrophobicContact CG1-CD1 4.1Å; V147-F195 HydrophobicContact CG2-CB 4.21Å; F148-F195 PolarHBondContact N-O 3.06Å; F195-T200 HydrophobicContact CD2-CG2 3.86Å; F195-T200 HydrophobicContact CE2-CG2 4.37Å; F195-T200 HydrophobicContact CG-CG2 4.34Å; F195-C204 HydrophobicContact CZ-CB 4.26Å; F195-C204 VanDerWaalsContact CZ-SG 3.59Å; F195-L213 HydrophobicContact CD1-CD2 4.35Å; F195-L213 HydrophobicContact CE1-CD2 3.77Å; F195-V217 HydrophobicContact CD1-CG2 3.96Å; F195-V217 HydrophobicContact CD2-CG1 4.2Å; F195-V217 HydrophobicContact CD2-CG2 4.31Å; F195-V217 HydrophobicContact CE1-CG2 3.77Å; F195-V217 HydrophobicContact CE2-CG2 4.14Å; F195-V217 HydrophobicContact CG-CG1 4.33Å; F195-V217 HydrophobicContact CG-CG2 4.23Å; F195-V217 HydrophobicContact CZ-CG2 3.86Å; F195-I220 HydrophobicContact CE2-CG2 4.26Å; F195-M221 HydrophobicContact CD2-CG 4.2Å; F195-M221 HydrophobicContact CD2-SD 3.8Å; F195-M221 HydrophobicContact CE2-SD 4.46Å
196S98.4Very high96Very high3 Ų337.2 Ų37.22%0.02120%0.203CC..SBendtrans-162165.3-178.776.30000111.8F198 S199 T200 G201S196-F198 PolarHBondContact O-N 3.42Å; S196-F198 VanDerWaalsContact O-N 3.08Å; S196-F198 PolarHBondContact OG-N 2.96Å; S196-S199 WeakPolarHBondContact CA-OG 3.49Å; S196-S199 PolarHBondContact N-OG 3.42Å; S196-S199 PolarHBondContact O-N 2.71Å; S196-S199 PolarHBondContact O-OG 3.45Å; S196-S199 VanDerWaalsContact O-OG 3.1Å; S196-S199 PolarHBondContact OG-N 3.13Å; S196-S199 PolarHBondContact OG-OG 3.1Å; S196-T200 PolarHBondContact N-OG1 3.38Å; S196-T200 PolarHBondContact O-N 3.27Å; S196-T200 PolarHBondContact O-OG1 3Å; S196-G201 PolarHBondContact O-N 3.36Å; S196-G201 VanDerWaalsContact O-N 3.1Å
197R97.8Very high96.1Very high74 Ų7437.9 Ų37.928%0.27921%0.206SC..THydrogen-bonded Turntrans-45.7-42.1171.9177.7-169.8-179.2-169.23.2113.3T157 G201 W202T157-R197 PolarHBondContact OG1-NH1 2.69Å; R197-G201 VanDerWaalsContact O-CA 3.29Å; R197-G201 WeakPolarHBondContact O-CA 3.44Å; R197-G201 PolarHBondContact O-N 2.8Å; R197-W202 HydrophobicContact CB-CD2 4.49Å; R197-W202 HydrophobicContact CB-CH2 3.99Å; R197-W202 HydrophobicContact CB-CZ2 3.92Å; R197-W202 HydrophobicContact CB-CZ3 4.27Å; R197-W202 VanDerWaalsContact CD-CZ2 3.48Å; R197-W202 HydrophobicContact CG-CD2 4.38Å; R197-W202 HydrophobicContact CG-CH2 4.2Å; R197-W202 HydrophobicContact CG-CZ2 3.6Å
198F97.8Very high96.3Very high20 Ų2037.1 Ų37.19%0.08820%0.202CC..THydrogen-bonded Turntrans-92.83.2-174-63.7-45.4000114T157 R161 V164 K180 C182 S196T157-F198 HydrophobicContact CG2-CZ 4.18Å; T157-F198 WeakPolarHBondContact O-CE2 3.34Å; R161-F198 HydrophobicContact CG-CD2 4.32Å; R161-F198 HydrophobicContact CG-CE2 3.85Å; R161-F198 HydrophobicContact CG-CZ 4.38Å; V164-F198 HydrophobicContact CG1-CB 3.92Å; V164-F198 HydrophobicContact CG2-CB 4.01Å; K180-F198 VanDerWaalsContact O-CD1 3.23Å; K180-F198 WeakPolarHBondContact O-CD1 3.47Å; C182-F198 WeakPolarHBondContact CB-O 3.5Å; C182-F198 PolarHBondContact N-O 3.25Å; S196-F198 PolarHBondContact O-N 3.42Å; S196-F198 VanDerWaalsContact O-N 3.08Å; S196-F198 PolarHBondContact OG-N 2.96Å
199S96.9Very high96.6Very high8 Ų833.4 Ų33.46%0.05616%0.163CC..THydrogen-bonded Turntrans-121.6-59.1178.452.40000111.5K181 C182 L194 S196K181-S199 VanDerWaalsContact CD-O 3.22Å; K181-S199 WeakPolarHBondContact CD-O 3.14Å; K181-S199 WeakPolarHBondContact CG-O 3.09Å; C182-S199 WeakPolarHBondContact O-CA 3.24Å; L194-S199 WeakPolarHBondContact O-CB 3.11Å; L194-S199 PolarHBondContact O-OG 2.86Å; S196-S199 WeakPolarHBondContact CA-OG 3.49Å; S196-S199 PolarHBondContact N-OG 3.42Å; S196-S199 PolarHBondContact O-N 2.71Å; S196-S199 PolarHBondContact O-OG 3.45Å; S196-S199 VanDerWaalsContact O-OG 3.1Å; S196-S199 PolarHBondContact OG-N 3.13Å; S196-S199 PolarHBondContact OG-OG 3.1Å
200T96.4Very high96.9Very high12 Ų1231 Ų317%0.07415%0.151CC..THydrogen-bonded Turntrans-98.4-10.2179.554.90000112.7T192 F195 S196 S203T192-T200 HydrophobicContact CG2-CG2 3.99Å; F195-T200 HydrophobicContact CD2-CG2 3.86Å; F195-T200 HydrophobicContact CE2-CG2 4.37Å; F195-T200 HydrophobicContact CG-CG2 4.34Å; S196-T200 PolarHBondContact N-OG1 3.38Å; S196-T200 PolarHBondContact O-N 3.27Å; S196-T200 PolarHBondContact O-OG1 3Å; T200-S203 PolarHBondContact O-OG 3.33Å
201G96.5Very high97.3Very high17 Ų1722 Ų2218%0.17511%0.113CC..  trans76.7-157.3-172.800000111.5S196 R197 S203S196-G201 PolarHBondContact O-N 3.36Å; S196-G201 VanDerWaalsContact O-N 3.1Å; R197-G201 VanDerWaalsContact O-CA 3.29Å; R197-G201 WeakPolarHBondContact O-CA 3.44Å; R197-G201 PolarHBondContact O-N 2.8Å; G201-S203 PolarHBondContact O-N 3.47Å
202W96.9Very high97.6Very high86 Ų8620.3 Ų20.333%0.32611%0.105SC..SBendtrans-91.551.7177.3-62.7123.6000111.3H150 R197 C204 G205 L206 H207H150-W202 HydrophobicContact CB-CH2 4.39Å; H150-W202 AromaticContact ND1-CH2 3.86Å; R197-W202 HydrophobicContact CB-CD2 4.49Å; R197-W202 HydrophobicContact CB-CH2 3.99Å; R197-W202 HydrophobicContact CB-CZ2 3.92Å; R197-W202 HydrophobicContact CB-CZ3 4.27Å; R197-W202 VanDerWaalsContact CD-CZ2 3.48Å; R197-W202 HydrophobicContact CG-CD2 4.38Å; R197-W202 HydrophobicContact CG-CH2 4.2Å; R197-W202 HydrophobicContact CG-CZ2 3.6Å; W202-C204 PolarHBondContact O-N 2.82Å; W202-G205 PolarHBondContact O-N 3.49Å; W202-G205 VanDerWaalsContact O-N 3.1Å; W202-L206 HydrophobicContact CD2-CD1 3.93Å; W202-L206 VanDerWaalsContact CE2-CD1 3.42Å; W202-L206 HydrophobicContact CG-CD1 4.09Å; W202-L206 HydrophobicContact CZ2-CD1 3.76Å; W202-L206 VanDerWaalsContact NE1-CD1 3.3Å; W202-H207 HydrophobicContact CH2-CB 4.31Å; W202-H207 AromaticContact CH2-CD2 3.82Å; W202-H207 AromaticContact CH2-CE1 3.8Å; W202-H207 AromaticContact CH2-CG 3.67Å; W202-H207 AromaticContact CH2-ND1 3.66Å; W202-H207 AromaticContact CH2-NE2 3.9Å; W202-H207 AromaticContact CZ2-CD2 3.85Å; W202-H207 AromaticContact CZ2-NE2 3.84Å; W202-H207 VanDerWaalsContact CZ3-CA 3.42Å; W202-H207 HydrophobicContact CZ3-CB 4.45Å
203S96.6Very high97.8Very high49 Ų4919.2 Ų19.234%0.34310%0.098SC..THydrogen-bonded Turntrans-62.3-26.3-173.4-68.50000113.3T200 G201 I220T200-S203 PolarHBondContact O-OG 3.33Å; G201-S203 PolarHBondContact O-N 3.47Å; S203-I220 WeakPolarHBondContact O-CD1 3.3Å
204C97.7Very high97.8Very high9 Ų921 Ų216%0.06111%0.109CC..THydrogen-bonded Turntrans-106.216177.1-69.70000113.6F195 W202 A208 L213 C216F195-C204 HydrophobicContact CZ-CB 4.26Å; F195-C204 VanDerWaalsContact CZ-SG 3.59Å; W202-C204 PolarHBondContact O-N 2.82Å; C204-A208 HydrophobicContact CB-CB 4.03Å; C204-A208 WeakPolarHBondContact O-CB 3.38Å; C204-L213 HydrophobicContact CB-CD2 4.07Å; C204-C216 WeakPolarHBondContact CA-SG 3.45Å; C204-C216 HydrophobicContact CB-CB 3.67Å; C204-C216 WeakPolarHBondContact CB-SG 3.33Å; C204-C216 WeakPolarHBondContact SG-CB 3.21Å; C204-C216 CovalentContact SG-SG 2.04Å; C204-C216 PolarHBondContact SG-SG 3.27Å
205G97.1Very high97.8Very high8 Ų826.9 Ų26.98%0.08214%0.14CC..  trans109.7153.2-173.100000113.2W202 H207 A208W202-G205 PolarHBondContact O-N 3.49Å; W202-G205 VanDerWaalsContact O-N 3.1Å; G205-H207 PolarHBondContact O-N 3.07Å; G205-A208 PolarHBondContact O-N 3.34Å
206L98.1Very high97.7Very high29 Ų2927.9 Ų27.915%0.15215%0.148CC..THydrogen-bonded Turntrans-66121.1177172.862.2000109.4W202 A208 W262 T264 S265W202-L206 HydrophobicContact CD2-CD1 3.93Å; W202-L206 VanDerWaalsContact CE2-CD1 3.42Å; W202-L206 HydrophobicContact CG-CD1 4.09Å; W202-L206 HydrophobicContact CZ2-CD1 3.76Å; W202-L206 VanDerWaalsContact NE1-CD1 3.3Å; L206-A208 PolarHBondContact O-N 3.26Å; L206-W262 HydrophobicContact CD2-CB 3.92Å; L206-W262 HydrophobicContact CD2-CG 4.42Å; L206-T264 VanDerWaalsContact CD2-OG1 3.31Å; L206-T264 WeakPolarHBondContact CD2-OG1 3.49Å; L206-S265 PolarHBondContact O-OG 2.86Å
207H98.3Very high97.6Very high15 Ų1527.8 Ų27.87%0.06915%0.147CC..THydrogen-bonded Turntrans5440.5-176.3-76.1-83.1000113.3H150 Q152 W202 G205 D209 W262 M311H150-H207 AromaticContact CE1-CE1 3.62Å; H150-H207 AromaticContact CG-CE1 3.9Å; H150-H207 AromaticContact ND1-CE1 3.61Å; H150-H207 AromaticContact NE2-CE1 3.92Å; H150-H207 PolarHBondContact O-ND1 2.91Å; Q152-H207 VanDerWaalsContact NE2-CG 3.32Å; W202-H207 HydrophobicContact CH2-CB 4.31Å; W202-H207 AromaticContact CH2-CD2 3.82Å; W202-H207 AromaticContact CH2-CE1 3.8Å; W202-H207 AromaticContact CH2-CG 3.67Å; W202-H207 AromaticContact CH2-ND1 3.66Å; W202-H207 AromaticContact CH2-NE2 3.9Å; W202-H207 AromaticContact CZ2-CD2 3.85Å; W202-H207 AromaticContact CZ2-NE2 3.84Å; W202-H207 VanDerWaalsContact CZ3-CA 3.42Å; W202-H207 HydrophobicContact CZ3-CB 4.45Å; G205-H207 PolarHBondContact O-N 3.07Å; H207-D209 PolarHBondContact O-N 3.05Å; H207-W262 AromaticContact CD2-CD1 3.45Å; H207-W262 VanDerWaalsContact CD2-CD1 3.45Å; H207-W262 AromaticContact CD2-NE1 3.6Å; H207-W262 AromaticContact NE2-CD1 3.79Å; H207-W262 AromaticContact NE2-NE1 3.43Å; H207-W262 PolarHBondContact NE2-NE1 3.46Å; H207-M311 HydrophobicContact CB-CE 4.34Å; H207-M311 WeakPolarHBondContact O-CE 3.45Å
208A98.6Very high97.4Very high5 Ų526.1 Ų26.14%0.04115%0.146CC..  trans-47.5125.9177.800000112C204 G205 L206 E212 L213C204-A208 HydrophobicContact CB-CB 4.03Å; C204-A208 WeakPolarHBondContact O-CB 3.38Å; G205-A208 PolarHBondContact O-N 3.34Å; L206-A208 PolarHBondContact O-N 3.26Å; A208-E212 VanDerWaalsContact CA-OE2 3.24Å; A208-E212 WeakPolarHBondContact CA-OE2 3.5Å; A208-E212 HydrophobicContact CB-CB 3.97Å; A208-L213 HydrophobicContact CB-CD2 3.71Å; A208-L213 HydrophobicContact CB-CG 3.8Å; A208-L213 WeakPolarHBondContact O-CD1 3.34Å
209D98.7Very high97.1Very high2 Ų228 Ų281%0.01117%0.166CC..  trans-84.8-174.5-178.27032000113.2H207 T211 E212 L213 M311H207-D209 PolarHBondContact O-N 3.05Å; D209-T211 VanDerWaalsContact C-N 3.31Å; D209-T211 PolarHBondContact O-N 3.4Å; D209-T211 WeakPolarHBondContact OD1-CA 3.31Å; D209-T211 WeakPolarHBondContact OD1-CB 3.28Å; D209-T211 PolarHBondContact OD1-N 2.95Å; D209-E212 PolarHBondContact N-OE2 2.99Å; D209-E212 VanDerWaalsContact N-OE2 3.08Å; D209-E212 PolarHBondContact O-N 3.13Å; D209-E212 PolarHBondContact OD1-N 3.38Å; D209-L213 VanDerWaalsContact O-CB 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.45Å; D209-L213 VanDerWaalsContact O-CG 3.22Å; D209-L213 WeakPolarHBondContact O-CG 3.49Å; D209-L213 PolarHBondContact O-N 3.42Å; D209-M311 HydrophobicContact CB-CB 3.85Å; D209-M311 HydrophobicContact CB-CE 4.12Å; D209-M311 HydrophobicContact CB-CG 3.98Å; D209-M311 WeakPolarHBondContact CB-O 3.36Å
210W98.8Very high96.8Very high43 Ų4329.6 Ų29.616%0.16317%0.173CC..Hα-helixtrans-60.3-41.6-179.5-177.495.5000111.8L149 T214 M311 D314 N342L149-W210 HydrophobicContact CD1-CB 3.86Å; W210-T214 HydrophobicContact CD2-CG2 3.98Å; W210-T214 HydrophobicContact CE3-CG2 4.47Å; W210-T214 HydrophobicContact CG-CG2 4.36Å; W210-T214 HydrophobicContact CH2-CG2 4.43Å; W210-T214 HydrophobicContact CZ2-CG2 3.96Å; W210-T214 WeakPolarHBondContact O-CB 3.47Å; W210-T214 VanDerWaalsContact O-CG2 3.28Å; W210-T214 WeakPolarHBondContact O-CG2 3.42Å; W210-T214 PolarHBondContact O-N 2.64Å; W210-T214 PolarHBondContact O-OG1 2.97Å; W210-M311 WeakPolarHBondContact CB-O 3.47Å; W210-M311 PolarHBondContact N-O 3.43Å; W210-D314 HydrophobicContact CE3-CB 3.86Å; W210-D314 HydrophobicContact CH2-CB 3.86Å; W210-D314 HydrophobicContact CZ3-CB 3.24Å; W210-N342 VanDerWaalsContact CD2-ND2 3.28Å; W210-N342 VanDerWaalsContact CE2-CG 3.43Å; W210-N342 WeakPolarHBondContact CZ2-ND2 3.45Å
211T98.6Very high96.4Very high2 Ų229.6 Ų29.61%0.01217%0.172CC..Hα-helixtrans-66.2-44.5-180-570000109.7D209 T214 N215 C269 A313 L315D209-T211 VanDerWaalsContact C-N 3.31Å; D209-T211 PolarHBondContact O-N 3.4Å; D209-T211 WeakPolarHBondContact OD1-CA 3.31Å; D209-T211 WeakPolarHBondContact OD1-CB 3.28Å; D209-T211 PolarHBondContact OD1-N 2.95Å; T211-T214 PolarHBondContact O-OG1 3.37Å; T211-N215 PolarHBondContact O-N 2.92Å; T211-N215 PolarHBondContact O-ND2 2.95Å; T211-C269 HydrophobicContact CG2-CB 4.25Å; T211-A313 PolarHBondContact OG1-O 3.41Å; T211-A313 VanDerWaalsContact OG1-O 3.11Å; T211-L315 HydrophobicContact CG2-CB 4.47Å; T211-L315 PolarHBondContact OG1-N 2.91Å
212E98.6Very high95.6Very high6 Ų633.3 Ų33.33%0.02819%0.185CC..Hα-helixtrans-66.7-48.1178.1-64.7-178.3108.100112A208 D209 N215 C216 H267 M268A208-E212 VanDerWaalsContact CA-OE2 3.24Å; A208-E212 WeakPolarHBondContact CA-OE2 3.5Å; A208-E212 HydrophobicContact CB-CB 3.97Å; D209-E212 PolarHBondContact N-OE2 2.99Å; D209-E212 VanDerWaalsContact N-OE2 3.08Å; D209-E212 PolarHBondContact O-N 3.13Å; D209-E212 PolarHBondContact OD1-N 3.38Å; E212-N215 PolarHBondContact O-N 3.14Å; E212-C216 WeakPolarHBondContact O-CB 3.39Å; E212-C216 PolarHBondContact O-N 2.86Å; E212-H267 WeakPolarHBondContact OE1-CA 3.3Å; E212-H267 PolarHBondContact OE1-N 2.97Å; E212-M268 HydrophobicContact CG-CB 4.05Å; E212-M268 WeakPolarHBondContact CG-O 3.41Å; E212-M268 PolarHBondContact OE1-N 3.27Å
213L98.4Very high94.1Very high6 Ų638.5 Ų38.53%0.03121%0.21CC..Hα-helixtrans-69.7-38.7-173.9-70.9171.6000113V147 L149 F195 C204 A208 D209 N215 C216 V217 Y238V147-L213 HydrophobicContact CG1-CD1 4.36Å; L149-L213 HydrophobicContact CB-CD1 3.7Å; L149-L213 HydrophobicContact CD1-CD1 4.16Å; L149-L213 HydrophobicContact CG-CD1 3.72Å; F195-L213 HydrophobicContact CD1-CD2 4.35Å; F195-L213 HydrophobicContact CE1-CD2 3.77Å; C204-L213 HydrophobicContact CB-CD2 4.07Å; A208-L213 HydrophobicContact CB-CD2 3.71Å; A208-L213 HydrophobicContact CB-CG 3.8Å; A208-L213 WeakPolarHBondContact O-CD1 3.34Å; D209-L213 VanDerWaalsContact O-CB 3.28Å; D209-L213 WeakPolarHBondContact O-CB 3.45Å; D209-L213 VanDerWaalsContact O-CG 3.22Å; D209-L213 WeakPolarHBondContact O-CG 3.49Å; D209-L213 PolarHBondContact O-N 3.42Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-C216 PolarHBondContact O-N 2.87Å; L213-V217 HydrophobicContact CB-CG2 4.14Å; L213-V217 HydrophobicContact CD2-CG2 3.71Å; L213-V217 VanDerWaalsContact O-CB 3.25Å; L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 VanDerWaalsContact O-CG2 3.23Å; L213-V217 WeakPolarHBondContact O-CG2 3.35Å; L213-V217 PolarHBondContact O-N 3.28Å; L213-Y238 HydrophobicContact CB-CE1 3.91Å; L213-Y238 PolarHBondContact O-OH 2.83Å
214T97.7Very high92.3Very high38 Ų3842.6 Ų42.623%0.23322%0.221CC..Hα-helixtrans-68-33.5179.552.30000112W210 T211 P218 Y238W210-T214 HydrophobicContact CD2-CG2 3.98Å; W210-T214 HydrophobicContact CE3-CG2 4.47Å; W210-T214 HydrophobicContact CG-CG2 4.36Å; W210-T214 HydrophobicContact CH2-CG2 4.43Å; W210-T214 HydrophobicContact CZ2-CG2 3.96Å; W210-T214 WeakPolarHBondContact O-CB 3.47Å; W210-T214 VanDerWaalsContact O-CG2 3.28Å; W210-T214 WeakPolarHBondContact O-CG2 3.42Å; W210-T214 PolarHBondContact O-N 2.64Å; W210-T214 PolarHBondContact O-OG1 2.97Å; T211-T214 PolarHBondContact O-OG1 3.37Å; T214-P218 WeakPolarHBondContact O-CD 3.41Å; T214-Y238 WeakPolarHBondContact CA-OH 3.37Å; T214-Y238 HydrophobicContact CG2-CE1 4.18Å
215N96.9Very high90.4Very high124 Ų12444.1 Ų44.166%0.66323%0.229SC*.Hα-helixtrans-83.4-20.1176.7-72.7-69.7000114.1T211 E212 L213T211-N215 PolarHBondContact O-N 2.92Å; T211-N215 PolarHBondContact O-ND2 2.95Å; E212-N215 PolarHBondContact O-N 3.14Å; L213-N215 VanDerWaalsContact C-N 3.31Å
216C96.9Very high88.1Confident30 Ų3049.3 Ų49.320%0.20326%0.263CS..Hα-helixtrans-106.9-42.2-173.7170.70000114.9C204 E212 L213 A219 I220C204-C216 WeakPolarHBondContact CA-SG 3.45Å; C204-C216 HydrophobicContact CB-CB 3.67Å; C204-C216 WeakPolarHBondContact CB-SG 3.33Å; C204-C216 WeakPolarHBondContact SG-CB 3.21Å; C204-C216 CovalentContact SG-SG 2.04Å; C204-C216 PolarHBondContact SG-SG 3.27Å; E212-C216 WeakPolarHBondContact O-CB 3.39Å; E212-C216 PolarHBondContact O-N 2.86Å; L213-C216 PolarHBondContact O-N 2.87Å; C216-A219 PolarHBondContact O-N 3Å; C216-I220 PolarHBondContact O-N 3.4Å; C216-I220 VanDerWaalsContact O-N 3.1Å; C216-I220 WeakPolarHBondContact SG-CD1 3.32Å
217V96.2Very high85.6Confident0 Ų053.7 Ų53.70%029%0.293CS..Hα-helixtrans-61.1-45-169.7171.60000113.1V147 F195 L213 A219 I220 M221 F236V147-V217 HydrophobicContact CG1-CG2 4.13Å; V147-V217 HydrophobicContact CG2-CG1 3.99Å; F195-V217 HydrophobicContact CD1-CG2 3.96Å; F195-V217 HydrophobicContact CD2-CG1 4.2Å; F195-V217 HydrophobicContact CD2-CG2 4.31Å; F195-V217 HydrophobicContact CE1-CG2 3.77Å; F195-V217 HydrophobicContact CE2-CG2 4.14Å; F195-V217 HydrophobicContact CG-CG1 4.33Å; F195-V217 HydrophobicContact CG-CG2 4.23Å; F195-V217 HydrophobicContact CZ-CG2 3.86Å; L213-V217 HydrophobicContact CB-CG2 4.14Å; L213-V217 HydrophobicContact CD2-CG2 3.71Å; L213-V217 VanDerWaalsContact O-CB 3.25Å; L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 VanDerWaalsContact O-CG2 3.23Å; L213-V217 WeakPolarHBondContact O-CG2 3.35Å; L213-V217 PolarHBondContact O-N 3.28Å; V217-A219 PolarHBondContact O-N 3.07Å; V217-I220 PolarHBondContact O-N 3.36Å; V217-M221 HydrophobicContact CG1-CG 3.95Å; V217-M221 WeakPolarHBondContact O-CB 3.45Å; V217-M221 VanDerWaalsContact O-CG 3.3Å; V217-M221 WeakPolarHBondContact O-CG 3.31Å; V217-M221 PolarHBondContact O-N 2.97Å; V217-F236 HydrophobicContact CG1-CD1 3.83Å; V217-F236 HydrophobicContact CG1-CE1 3.71Å; V217-F236 HydrophobicContact CG1-CZ 4.43Å
218P93.6Very high83.3Confident40 Ų4063.7 Ų63.726%0.2633%0.33SS..Hα-helixtrans-55-50178.3-2736.3000112.3T214 I220 M221 E222 F236T214-P218 WeakPolarHBondContact O-CD 3.41Å; P218-I220 PolarHBondContact O-N 3.15Å; P218-M221 PolarHBondContact O-N 3.38Å; P218-E222 WeakPolarHBondContact O-CB 3.21Å; P218-E222 VanDerWaalsContact O-CG 3.31Å; P218-E222 WeakPolarHBondContact O-CG 3.37Å; P218-E222 PolarHBondContact O-N 3.23Å; P218-F236 HydrophobicContact CB-CE2 3.98Å; P218-F236 HydrophobicContact CB-CZ 4.31Å; P218-F236 HydrophobicContact CG-CD2 4.36Å; P218-F236 HydrophobicContact CG-CE2 3.95Å; P218-F236 HydrophobicContact CG-CZ 4.48Å
219A91.3Very high80.8Confident60 Ų6070.3 Ų70.350%0.49637%0.365SS..Hα-helixtrans-62.6-44.4-179.600000112.8C216 V217 K223C216-A219 PolarHBondContact O-N 3Å; V217-A219 PolarHBondContact O-N 3.07Å; A219-K223 VanDerWaalsContact O-CB 3.23Å; A219-K223 WeakPolarHBondContact O-CB 3.33Å; A219-K223 PolarHBondContact O-N 3.07Å
220I90.8Very high78.5Confident41 Ų4179.6 Ų79.621%0.2141%0.408CS..Hα-helixtrans-65.4-42.4179.5-70.8-166.2000111.7F195 S203 C216 V217 P218F195-I220 HydrophobicContact CE2-CG2 4.26Å; S203-I220 WeakPolarHBondContact O-CD1 3.3Å; C216-I220 PolarHBondContact O-N 3.4Å; C216-I220 VanDerWaalsContact O-N 3.1Å; C216-I220 WeakPolarHBondContact SG-CD1 3.32Å; V217-I220 PolarHBondContact O-N 3.36Å; P218-I220 PolarHBondContact O-N 3.15Å
221M87.6Confident76.2Confident11 Ų1181.7 Ų81.75%0.05443%0.429CS..Hα-helixtrans-71.9-39.5-177.6-66.8-62.2-72.100109.9V145 T192 F195 V217 P218 R234 F236V145-M221 HydrophobicContact CG1-CE 4.03Å; V145-M221 HydrophobicContact CG2-CE 3.86Å; T192-M221 WeakPolarHBondContact O-CE 3.16Å; F195-M221 HydrophobicContact CD2-CG 4.2Å; F195-M221 HydrophobicContact CD2-SD 3.8Å; F195-M221 HydrophobicContact CE2-SD 4.46Å; V217-M221 HydrophobicContact CG1-CG 3.95Å; V217-M221 WeakPolarHBondContact O-CB 3.45Å; V217-M221 VanDerWaalsContact O-CG 3.3Å; V217-M221 WeakPolarHBondContact O-CG 3.31Å; V217-M221 PolarHBondContact O-N 2.97Å; P218-M221 PolarHBondContact O-N 3.38Å; M221-R234 VanDerWaalsContact CB-NH1 3.34Å; M221-R234 PolarHBondContact O-NH1 2.92Å; M221-R234 PolarHBondContact O-NH2 2.87Å; M221-F236 HydrophobicContact CB-CE1 4.15Å; M221-F236 HydrophobicContact CB-CZ 4.26Å; M221-F236 HydrophobicContact CG-CE1 4.1Å
222E81Confident74.3Confident95 Ų9588 Ų8844%0.44446%0.458SS..Hα-helixtrans-69.9-43.1179.7-73.2179.7-179.800112.7P218 K224 D225 R234P218-E222 WeakPolarHBondContact O-CB 3.21Å; P218-E222 VanDerWaalsContact O-CG 3.31Å; P218-E222 WeakPolarHBondContact O-CG 3.37Å; P218-E222 PolarHBondContact O-N 3.23Å; E222-K224 PolarHBondContact O-N 3.21Å; E222-K224 VanDerWaalsContact O-N 3.07Å; E222-D225 PolarHBondContact O-N 3.45Å; E222-R234 VanDerWaalsContact CA-NH1 3.28Å; E222-R234 VanDerWaalsContact CG-NH1 3.31Å
223K65.4Low73Confident195 Ų19593.4 Ų93.485%0.84849%0.491SS*.Hα-helixtrans-60.9-21.2179.5-171.5172.7-178.7175.30114.2A219A219-K223 VanDerWaalsContact O-CB 3.23Å; A219-K223 WeakPolarHBondContact O-CB 3.33Å; A219-K223 PolarHBondContact O-N 3.07Å
224K58.5Low72.4Confident135 Ų13593.8 Ų93.859%0.58749%0.492SS*.THydrogen-bonded Turntrans-80.6-18.5176.8-81-178.2177.51720114.1E222E222-K224 PolarHBondContact O-N 3.21Å; E222-K224 VanDerWaalsContact O-N 3.07Å
225D57.1Low72.3Confident42 Ų4295.5 Ų95.523%0.22550%0.5CS..SBendtrans-110.1125.9179.2-66.62.1000108.4E222 R234E222-D225 PolarHBondContact O-N 3.45Å; D225-R234 IonicContact OD1-NH2 3.13Å; D225-R234 IonicContact OD2-CZ 3.61Å; D225-R234 IonicContact OD2-NE 2.71Å; D225-R234 IonicContact OD2-NH2 3.27Å; D225-R234 PolarHBondContact OD2-NH2 3.46Å
226C48.3Very low72.3Confident117 Ų11791.7 Ų91.779%0.79148%0.478SS*.  trans-47.7154.8-171.2-700000115.8R228C226-R228 PolarHBondContact O-N 2.91Å
227P47.3Very low72.3Confident120 Ų12092.7 Ų92.778%0.77948%0.478SS*.SBendtrans-81.351.4-171.135.9-37.6000113.5
228R48.2Very low72.5Confident225 Ų22594.3 Ų94.385%0.84948%0.484SS*.  trans-132.291.4175.8-76.9-172.2168.8160.8-2.8110.5C226C226-R228 PolarHBondContact O-N 2.91Å
229N47.1Very low72.7Confident145 Ų14592.4 Ų92.478%0.77547%0.471SS*.  trans129.388.1158.5-66.9-13.5000112.1S231N229-S231 PolarHBondContact O-N 3.5Å
230H49.6Very low73.1Confident197 Ų19789.5 Ų89.591%0.91245%0.448SS*.THydrogen-bonded Turntrans-66.417.3172.9-71.9-66.5000114.8
231S51Low73.5Confident86 Ų8687.6 Ų87.660%0.60144%0.438SS*.THydrogen-bonded Turntrans-95.7-12.4-168.4-162.90000115.1N229N229-S231 PolarHBondContact O-N 3.5Å
232H58.1Low74Confident136 Ų13687.1 Ų87.163%0.6344%0.436SS*.  trans-143.5105.9-175.6-56.3-65.3000113.5R143R143-H232 PolarHBondContact NE-O 3.31Å
233T72.4Confident74.8Confident118 Ų11883.5 Ų83.572%0.72442%0.418SS*.PPolyproline II helixtrans-59.5140.7171.448.50000110.9
234R86.6Confident76.4Confident14 Ų1475.7 Ų75.75%0.05339%0.385CS..PPolyproline II helixtrans-75.5145172.8-62.6-152-169.889-9.3110.6R143 M221 E222 D225 F236R143-R234 HydrophobicContact CB-CG 4.2Å; R143-R234 WeakPolarHBondContact O-CD 3.12Å; M221-R234 VanDerWaalsContact CB-NH1 3.34Å; M221-R234 PolarHBondContact O-NH1 2.92Å; M221-R234 PolarHBondContact O-NH2 2.87Å; E222-R234 VanDerWaalsContact CA-NH1 3.28Å; E222-R234 VanDerWaalsContact CG-NH1 3.31Å; D225-R234 IonicContact OD1-NH2 3.13Å; D225-R234 IonicContact OD2-CZ 3.61Å; D225-R234 IonicContact OD2-NE 2.71Å; D225-R234 IonicContact OD2-NH2 3.27Å; D225-R234 PolarHBondContact OD2-NH2 3.46Å; R234-F236 HydrophobicContact CB-CE1 4.36Å; R234-F236 HydrophobicContact CB-CE2 4.05Å; R234-F236 HydrophobicContact CB-CZ 3.85Å
235N93.8Very high78.3Confident75 Ų7569.3 Ų69.340%0.40136%0.358SS..PPolyproline II helixtrans-87.7125.4170.6-56.5-45.5000109.8D144 V145 Y237D144-N235 WeakPolarHBondContact OD1-CB 3.41Å; D144-N235 PolarHBondContact OD1-ND2 3.46Å; V145-N235 PolarHBondContact N-O 3.39Å; N235-Y237 HydrophobicContact CB-CE1 4.41Å; N235-Y237 HydrophobicContact CB-CE2 4Å
236F97.1Very high80.2Confident44 Ų4467.4 Ų67.419%0.19335%0.348CS..EExtended strand (participates in β ladder)trans-108.4114.6176.8-62.4-72.8000110.3V145 V147 V217 P218 M221 R234 Y238V145-F236 HydrophobicContact CB-CD1 3.85Å; V145-F236 HydrophobicContact CB-CE1 4.09Å; V145-F236 HydrophobicContact CG1-CD1 4.2Å; V145-F236 HydrophobicContact CG1-CE1 4.4Å; V145-F236 HydrophobicContact CG2-CD1 4.46Å; V145-F236 HydrophobicContact CG2-CE1 4.22Å; V145-F236 WeakPolarHBondContact O-CA 3.46Å; V147-F236 HydrophobicContact CG2-CB 4.17Å; V147-F236 HydrophobicContact CG2-CD1 3.96Å; V217-F236 HydrophobicContact CG1-CD1 3.83Å; V217-F236 HydrophobicContact CG1-CE1 3.71Å; V217-F236 HydrophobicContact CG1-CZ 4.43Å; P218-F236 HydrophobicContact CB-CE2 3.98Å; P218-F236 HydrophobicContact CB-CZ 4.31Å; P218-F236 HydrophobicContact CG-CD2 4.36Å; P218-F236 HydrophobicContact CG-CE2 3.95Å; P218-F236 HydrophobicContact CG-CZ 4.48Å; M221-F236 HydrophobicContact CB-CE1 4.15Å; M221-F236 HydrophobicContact CB-CZ 4.26Å; M221-F236 HydrophobicContact CG-CE1 4.1Å; R234-F236 HydrophobicContact CB-CE1 4.36Å; R234-F236 HydrophobicContact CB-CE2 4.05Å; R234-F236 HydrophobicContact CB-CZ 3.85Å; F236-Y238 HydrophobicContact CB-CD2 4.25Å; F236-Y238 HydrophobicContact CB-CE2 3.69Å
237Y98.5Very high82.5Confident50 Ų5063.6 Ų63.620%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-100.994.8178.9-59.4-61.2000109.8V136 F138 D144 V145 I146 V147 N235 A347 F366V136-Y237 HydrophobicContact CG1-CD1 3.8Å; V136-Y237 HydrophobicContact CG1-CD2 3.9Å; V136-Y237 HydrophobicContact CG1-CE1 3.42Å; V136-Y237 VanDerWaalsContact CG1-CE1 3.42Å; V136-Y237 HydrophobicContact CG1-CE2 3.49Å; V136-Y237 VanDerWaalsContact CG1-CE2 3.49Å; V136-Y237 HydrophobicContact CG1-CG 4.03Å; V136-Y237 HydrophobicContact CG2-CD1 4.22Å; V136-Y237 HydrophobicContact CG2-CE1 4.28Å; F138-Y237 AromaticContact CD2-CD2 3.89Å; F138-Y237 HydrophobicContact CD2-CD2 3.89Å; F138-Y237 AromaticContact CD2-CE2 3.98Å; F138-Y237 HydrophobicContact CD2-CE2 3.98Å; F138-Y237 HydrophobicContact CE2-CD2 4.35Å; D144-Y237 HydrophobicContact CB-CD2 4.31Å; D144-Y237 HydrophobicContact CB-CE2 3.75Å; V145-Y237 PolarHBondContact O-N 3.47Å; I146-Y237 WeakPolarHBondContact CA-O 3.42Å; V147-Y237 PolarHBondContact N-O 2.85Å; N235-Y237 HydrophobicContact CB-CE1 4.41Å; N235-Y237 HydrophobicContact CB-CE2 4Å; Y237-A347 HydrophobicContact CD1-CB 4.18Å; Y237-A347 HydrophobicContact CG-CB 4.39Å; Y237-F366 HydrophobicContact CD2-CE1 4.4Å; Y237-F366 HydrophobicContact CG-CE1 4.13Å
238Y98.8Very high85Confident34 Ų3457.9 Ų57.913%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-70.6134.6178.3-72.3-98.5000110.9V147 L213 T214 F236 M346 A347V147-Y238 HydrophobicContact CB-CD1 3.93Å; V147-Y238 HydrophobicContact CB-CE1 4.04Å; V147-Y238 HydrophobicContact CB-CG 4.25Å; V147-Y238 HydrophobicContact CG1-CD1 3.83Å; V147-Y238 HydrophobicContact CG1-CE1 3.65Å; V147-Y238 HydrophobicContact CG2-CE1 4.49Å; V147-Y238 CarbonylContact O-C 3.57Å; V147-Y238 WeakPolarHBondContact O-CA 3.28Å; L213-Y238 HydrophobicContact CB-CE1 3.91Å; L213-Y238 PolarHBondContact O-OH 2.83Å; T214-Y238 WeakPolarHBondContact CA-OH 3.37Å; T214-Y238 HydrophobicContact CG2-CE1 4.18Å; F236-Y238 HydrophobicContact CB-CD2 4.25Å; F236-Y238 HydrophobicContact CB-CE2 3.69Å; Y238-M346 WeakPolarHBondContact O-CB 3.18Å; Y238-A347 PolarHBondContact O-N 3.01Å
239I98.9Very high87.4Confident0 Ų047.2 Ų47.20%025%0.245CC..EExtended strand (participates in β ladder)trans-136.1154.4175.469.3174.1000111.7I146 V147 F148 L149 F159 L163 A347 F348 F362 F366I146-I239 HydrophobicContact CG2-CD1 3.48Å; I146-I239 VanDerWaalsContact CG2-CD1 3.48Å; I146-I239 HydrophobicContact CG2-CG1 3.91Å; I146-I239 HydrophobicContact CG2-CG2 4.38Å; V147-I239 PolarHBondContact O-N 2.88Å; F148-I239 HydrophobicContact CB-CD1 4.37Å; F148-I239 HydrophobicContact CB-CG1 4.06Å; F148-I239 HydrophobicContact CD2-CG1 4.06Å; F148-I239 HydrophobicContact CG-CG1 4.44Å; L149-I239 PolarHBondContact N-O 2.97Å; F159-I239 HydrophobicContact CE1-CD1 3.84Å; F159-I239 HydrophobicContact CZ-CD1 4.22Å; L163-I239 HydrophobicContact CD1-CD1 4Å; L163-I239 HydrophobicContact CD2-CD1 4.37Å; I239-A347 HydrophobicContact CG2-CB 4.46Å; I239-F348 WeakPolarHBondContact CA-O 3.42Å; I239-F348 HydrophobicContact CB-CD1 4.24Å; I239-F348 WeakPolarHBondContact CB-O 3.29Å; I239-F348 HydrophobicContact CG2-CB 3.8Å; I239-F348 HydrophobicContact CG2-CD1 4.27Å; I239-F362 HydrophobicContact CD1-CE2 3.93Å; I239-F366 HydrophobicContact CG2-CE2 3.9Å; I239-F366 HydrophobicContact CG2-CZ 3.65Å
240T98.9Very high89.8Confident0 Ų040.7 Ų40.70%021%0.21CC..EExtended strand (participates in β ladder)trans-149.5176.5176-161.30000113.2L149 L312 L343 M346 F348 F349 G350L149-T240 WeakPolarHBondContact O-CB 3.49Å; L149-T240 PolarHBondContact O-OG1 2.87Å; T240-L312 HydrophobicContact CG2-CD2 4.19Å; T240-L343 HydrophobicContact CG2-CD1 3.73Å; T240-M346 HydrophobicContact CG2-CE 4.45Å; T240-M346 HydrophobicContact CG2-SD 3.73Å; T240-F348 PolarHBondContact N-O 2.85Å; T240-F349 HydrophobicContact CG2-CB 3.8Å; T240-F349 VanDerWaalsContact O-CA 3.28Å; T240-F349 WeakPolarHBondContact O-CA 3.5Å; T240-G350 PolarHBondContact O-N 2.76Å
241M98.8Very high92Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-128.1135.4171.5-70.1-67.2-60.800109.1F148 T154 F159 G350 T358F148-M241 HydrophobicContact CE2-CG 4.25Å; F148-M241 HydrophobicContact CZ-CG 4.41Å; T154-M241 WeakPolarHBondContact CB-O 3.25Å; T154-M241 WeakPolarHBondContact CG2-O 3.21Å; T154-M241 WeakPolarHBondContact O-CB 3.48Å; T154-M241 PolarHBondContact OG1-O 2.97Å; F159-M241 HydrophobicContact CB-CG 3.85Å; F159-M241 HydrophobicContact CB-SD 4.22Å; F159-M241 HydrophobicContact CD1-CG 3.63Å; F159-M241 HydrophobicContact CD1-SD 4.04Å; F159-M241 HydrophobicContact CD2-CG 4.45Å; F159-M241 HydrophobicContact CD2-SD 3.9Å; F159-M241 HydrophobicContact CE1-CG 4.29Å; F159-M241 HydrophobicContact CE1-SD 4.38Å; F159-M241 HydrophobicContact CE2-SD 4.26Å; F159-M241 HydrophobicContact CG-CG 3.72Å; F159-M241 HydrophobicContact CG-SD 3.78Å; F159-M241 HydrophobicContact CZ-SD 4.49Å; M241-G350 WeakPolarHBondContact CA-O 3.43Å; M241-G350 VanDerWaalsContact SD-CA 3.54Å; M241-T358 HydrophobicContact CE-CG2 4.08Å; M241-T358 HydrophobicContact SD-CG2 3.88Å
242L98.9Very high94.3Very high1 Ų128 Ų281%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-113.2168173.4-58.3179.9000111.8I151 Q308 L312 L343 F349 G350 L351 T352 Y406 A409I151-L242 HydrophobicContact CD1-CD2 3.83Å; L242-Q308 HydrophobicContact CD2-CB 4.19Å; L242-Q308 HydrophobicContact CD2-CG 4.14Å; L242-Q308 VanDerWaalsContact CD2-OE1 3.3Å; L242-L312 HydrophobicContact CD2-CD1 3.88Å; L242-L343 HydrophobicContact CD1-CD1 3.98Å; L242-L343 HydrophobicContact CD1-CD2 3.57Å; L242-L343 HydrophobicContact CD1-CG 4.44Å; L242-F349 HydrophobicContact CD1-CD2 4.47Å; L242-G350 PolarHBondContact N-O 3.44Å; L242-L351 HydrophobicContact CB-CD2 3.79Å; L242-T352 PolarHBondContact O-N 2.82Å; L242-T352 PolarHBondContact O-OG1 3.21Å; L242-Y406 HydrophobicContact CB-CD2 4.33Å; L242-Y406 HydrophobicContact CB-CE2 4.4Å; L242-A409 HydrophobicContact CD1-CB 3.6Å
243R98.3Very high96.2Very high20 Ų2022.3 Ų22.38%0.07512%0.116CC..  trans-150.9149.8177.8-173.4173.7-174.3-173.20.9109.9K153 T154 R248 S251 Q308 T352 T380 Y406K153-R243 WeakPolarHBondContact O-CD 3.37Å; K153-R243 PolarHBondContact O-NH1 2.95Å; T154-R243 HydrophobicContact CG2-CB 4.18Å; R243-R248 HydrophobicContact CB-CB 4.1Å; R243-R248 HydrophobicContact CB-CG 4.45Å; R243-R248 HydrophobicContact CG-CB 4.21Å; R243-S251 PolarHBondContact NH1-OG 2.91Å; R243-Q308 PolarHBondContact O-NE2 2.04Å; R243-Q308 PolarHBondContact O-OE1 3.14Å; R243-T352 HydrophobicContact CG-CG2 4.41Å; R243-T380 PolarHBondContact NH2-OG1 3.15Å; R243-Y406 VanDerWaalsContact C-CD2 3.49Å; R243-Y406 WeakPolarHBondContact O-CD2 3.37Å
244D97.8Very high97.3Very high30 Ų3018.6 Ų18.616%0.169%0.09CC..  trans-41.6124167.8166.1-108.4000110.6V246 S247 R248 E353 Y406D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.49Å; D244-S247 PolarHBondContact O-N 3.44Å; D244-S247 VanDerWaalsContact OD1-CB 3.22Å; D244-S247 WeakPolarHBondContact OD1-CB 3.34Å; D244-S247 PolarHBondContact OD1-N 2.93Å; D244-S247 PolarHBondContact OD1-OG 3.04Å; D244-R248 VanDerWaalsContact O-CB 3.29Å; D244-R248 WeakPolarHBondContact O-CB 3.36Å; D244-R248 PolarHBondContact O-N 2.84Å; D244-E353 WeakPolarHBondContact CA-OE1 3.3Å; D244-E353 WeakPolarHBondContact CB-OE1 3.4Å; D244-E353 PolarHBondContact N-OE1 3.27Å; D244-Y406 HydrophobicContact CB-CE1 4.09Å
245P98.6Very high97.8Very high1 Ų120.9 Ų20.91%0.00610%0.101CC..Hα-helixtrans-59.6-39.3-170.5-29.637.8000114R248 Y249 N399 D402 M403 Y406P245-R248 PolarHBondContact O-N 3.4Å; P245-Y249 WeakPolarHBondContact O-CB 3.18Å; P245-Y249 PolarHBondContact O-N 3.09Å; P245-N399 HydrophobicContact CB-CB 4.16Å; P245-D402 HydrophobicContact CB-CB 3.87Å; P245-D402 VanDerWaalsContact CG-C 3.46Å; P245-D402 HydrophobicContact CG-CB 3.82Å; P245-D402 WeakPolarHBondContact CG-O 3.06Å; P245-M403 HydrophobicContact CB-CG 4.48Å; P245-M403 HydrophobicContact CB-SD 3.68Å; P245-M403 HydrophobicContact CG-CG 4.43Å; P245-M403 HydrophobicContact CG-SD 3.62Å; P245-Y406 HydrophobicContact CG-CG 4.36Å
246V97.8Very high98Very high3 Ų317.8 Ų17.82%0.0189%0.085CC..Hα-helixtrans-63.3-51.3178.1179.20000109.8D244 R248 Y249 L250 I387 I395 E396 M403D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.49Å; V246-R248 VanDerWaalsContact C-N 3.3Å; V246-R248 PolarHBondContact O-N 2.9Å; V246-Y249 PolarHBondContact O-N 3.44Å; V246-L250 HydrophobicContact CG1-CD1 4.09Å; V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 2.95Å; V246-I387 HydrophobicContact CG1-CD1 4.19Å; V246-I395 HydrophobicContact CB-CG2 4.34Å; V246-I395 HydrophobicContact CG1-CG2 4.24Å; V246-I395 HydrophobicContact CG2-CG2 4.17Å; V246-E396 HydrophobicContact CG2-CG 3.54Å; V246-M403 HydrophobicContact CG2-SD 4.45Å
247S96.9Very high98Very high37 Ų3718.2 Ų18.226%0.2599%0.087SC..Hα-helixtrans-60.9-38.6178.1-61.30000112.8D244 S251 A382D244-S247 PolarHBondContact O-N 3.44Å; D244-S247 VanDerWaalsContact OD1-CB 3.22Å; D244-S247 WeakPolarHBondContact OD1-CB 3.34Å; D244-S247 PolarHBondContact OD1-N 2.93Å; D244-S247 PolarHBondContact OD1-OG 3.04Å; S247-S251 VanDerWaalsContact O-CB 3.25Å; S247-S251 WeakPolarHBondContact O-CB 3.4Å; S247-S251 PolarHBondContact O-N 3.5Å; S247-S251 VanDerWaalsContact O-N 3.09Å; S247-A382 VanDerWaalsContact O-CB 3.28Å; S247-A382 WeakPolarHBondContact O-CB 3.05Å
248R98.3Very high97.8Very high0 Ų022.3 Ų22.30%010%0.103CC..Hα-helixtrans-66.9-46.9176.4-172.5-144.963.871.24.6111K153 T154 R243 D244 P245 V246 S251 E252 A304 N399 D402K153-R248 HydrophobicContact CB-CG 4.23Å; T154-R248 HydrophobicContact CG2-CG 4.21Å; R243-R248 HydrophobicContact CB-CB 4.1Å; R243-R248 HydrophobicContact CB-CG 4.45Å; R243-R248 HydrophobicContact CG-CB 4.21Å; D244-R248 VanDerWaalsContact O-CB 3.29Å; D244-R248 WeakPolarHBondContact O-CB 3.36Å; D244-R248 PolarHBondContact O-N 2.84Å; P245-R248 PolarHBondContact O-N 3.4Å; V246-R248 VanDerWaalsContact C-N 3.3Å; V246-R248 PolarHBondContact O-N 2.9Å; R248-S251 WeakPolarHBondContact O-CB 3.12Å; R248-S251 PolarHBondContact O-N 2.88Å; R248-E252 IonicContact CZ-OE2 3.8Å; R248-E252 IonicContact NH1-OE2 2.64Å; R248-E252 PolarHBondContact NH1-OE2 3.34Å; R248-E252 PolarHBondContact O-N 3.38Å; R248-A304 PolarHBondContact NH2-O 3.1Å; R248-N399 PolarHBondContact NH2-OD1 3.43Å; R248-D402 IonicContact NE-OD2 3.66Å
249Y98.5Very high97.6Very high0 Ų021.9 Ų21.90%011%0.108CC..Hα-helixtrans-62.1-49.3179.8-170.7-90.2000111.6P245 V246 S251 E252 W253 F296 M297 A304 N305 I395 N399P245-Y249 WeakPolarHBondContact O-CB 3.18Å; P245-Y249 PolarHBondContact O-N 3.09Å; V246-Y249 PolarHBondContact O-N 3.44Å; Y249-S251 VanDerWaalsContact C-N 3.28Å; Y249-S251 PolarHBondContact O-N 3.19Å; Y249-E252 WeakPolarHBondContact O-CA 3.41Å; Y249-E252 WeakPolarHBondContact O-CB 3.41Å; Y249-E252 PolarHBondContact O-N 3Å; Y249-W253 PolarHBondContact O-N 2.86Å; Y249-F296 HydrophobicContact CD1-CD1 4.45Å; Y249-F296 HydrophobicContact CD1-CE1 4.2Å; Y249-F296 HydrophobicContact CD2-CE1 4.45Å; Y249-F296 AromaticContact CE1-CD1 3.55Å; Y249-F296 HydrophobicContact CE1-CD1 3.55Å; Y249-F296 AromaticContact CE1-CE1 3.6Å; Y249-F296 HydrophobicContact CE1-CE1 3.6Å; Y249-F296 HydrophobicContact CE2-CD1 4.44Å; Y249-F296 AromaticContact CE2-CE1 3.88Å; Y249-F296 HydrophobicContact CE2-CE1 3.88Å; Y249-F296 AromaticContact CZ-CD1 3.54Å; Y249-F296 AromaticContact CZ-CE1 3.41Å; Y249-F296 VanDerWaalsContact CZ-CE1 3.41Å; Y249-F296 WeakPolarHBondContact OH-CD1 3.21Å; Y249-F296 PolarHBondContact OH-O 3.45Å; Y249-M297 HydrophobicContact CE1-CG 3.91Å; Y249-A304 HydrophobicContact CD2-CB 3.82Å; Y249-A304 HydrophobicContact CE2-CB 3.52Å; Y249-N305 VanDerWaalsContact CE2-OD1 3.31Å; Y249-N305 WeakPolarHBondContact CE2-OD1 3.36Å; Y249-N305 PolarHBondContact OH-OD1 2.96Å; Y249-I395 HydrophobicContact CD1-CD1 4.3Å; Y249-I395 HydrophobicContact CD1-CG1 4.04Å; Y249-I395 HydrophobicContact CD1-CG2 3.75Å; Y249-I395 HydrophobicContact CE1-CG1 4.17Å; Y249-I395 HydrophobicContact CE1-CG2 4.47Å; Y249-I395 HydrophobicContact CG-CG2 3.89Å; Y249-N399 WeakPolarHBondContact CD2-ND2 3.3Å
250L97.8Very high97.5Very high8 Ų822.6 Ų22.64%0.04211%0.114CC..Hα-helixtrans-60.7-38.1174.9-68.2174.3000112.2V246 E252 W253 K254 L293 A382 V385 I387 I395V246-L250 HydrophobicContact CG1-CD1 4.09Å; V246-L250 WeakPolarHBondContact O-CG 3.39Å; V246-L250 PolarHBondContact O-N 2.95Å; L250-E252 VanDerWaalsContact C-N 3.27Å; L250-E252 PolarHBondContact O-N 3.28Å; L250-W253 HydrophobicContact CD2-CE3 4.17Å; L250-K254 WeakPolarHBondContact O-CB 3.42Å; L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 3.29Å; L250-L293 HydrophobicContact CD2-CD1 4.04Å; L250-L293 HydrophobicContact CD2-CD2 4.15Å; L250-A382 HydrophobicContact CB-CB 4.13Å; L250-V385 HydrophobicContact CD2-CG1 4.4Å; L250-I387 HydrophobicContact CD1-CD1 4.01Å; L250-I387 HydrophobicContact CD1-CG2 4.44Å; L250-I387 HydrophobicContact CD2-CG2 4.08Å; L250-I395 HydrophobicContact CD2-CD1 3.66Å; L250-I395 HydrophobicContact CG-CD1 4.19Å
251S97.1Very high97.3Very high13 Ų1324.5 Ų24.59%0.09113%0.126CC..Hα-helixtrans-65.1-33.6175.3-1660000112.4K153 R243 S247 R248 Y249 H255K153-S251 VanDerWaalsContact CE-O 3.27Å; K153-S251 WeakPolarHBondContact CE-O 3.26Å; K153-S251 WeakPolarHBondContact CE-OG 3.17Å; R243-S251 PolarHBondContact NH1-OG 2.91Å; S247-S251 VanDerWaalsContact O-CB 3.25Å; S247-S251 WeakPolarHBondContact O-CB 3.4Å; S247-S251 PolarHBondContact O-N 3.5Å; S247-S251 VanDerWaalsContact O-N 3.09Å; R248-S251 WeakPolarHBondContact O-CB 3.12Å; R248-S251 PolarHBondContact O-N 2.88Å; Y249-S251 VanDerWaalsContact C-N 3.28Å; Y249-S251 PolarHBondContact O-N 3.19Å; S251-H255 PolarHBondContact O-N 3.18Å
252E98.4Very high97.2Very high3 Ų326.3 Ų26.31%0.01413%0.133CC..Hα-helixtrans-71.3-51.7175.5-171.1163.3153.800111.3K153 R248 Y249 L250 K254 H255 V256 W262 F296 A304 R307K153-E252 HydrophobicContact CG-CB 3.77Å; K153-E252 HydrophobicContact CG-CG 4.29Å; R248-E252 IonicContact CZ-OE2 3.8Å; R248-E252 IonicContact NH1-OE2 2.64Å; R248-E252 PolarHBondContact NH1-OE2 3.34Å; R248-E252 PolarHBondContact O-N 3.38Å; Y249-E252 WeakPolarHBondContact O-CA 3.41Å; Y249-E252 WeakPolarHBondContact O-CB 3.41Å; Y249-E252 PolarHBondContact O-N 3Å; L250-E252 VanDerWaalsContact C-N 3.27Å; L250-E252 PolarHBondContact O-N 3.28Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 2.98Å; E252-H255 CarbonylContact O-C 3.18Å; E252-H255 WeakPolarHBondContact O-CA 3.34Å; E252-H255 WeakPolarHBondContact O-CB 3.23Å; E252-H255 PolarHBondContact O-N 3.01Å; E252-V256 HydrophobicContact CG-CG2 4.19Å; E252-V256 WeakPolarHBondContact O-CG2 3.5Å; E252-V256 PolarHBondContact O-N 2.55Å; E252-W262 HydrophobicContact CG-CH2 3.9Å; E252-W262 HydrophobicContact CG-CZ3 3.86Å; E252-F296 HydrophobicContact CG-CZ 4.27Å; E252-A304 HydrophobicContact CG-CB 4.28Å; E252-A304 WeakPolarHBondContact OE1-CA 3.4Å; E252-A304 WeakPolarHBondContact OE1-CB 3.31Å; E252-R307 VanDerWaalsContact CD-NE 3.34Å; E252-R307 IonicContact OE1-CZ 2.68Å; E252-R307 VanDerWaalsContact OE1-CZ 3.31Å; E252-R307 IonicContact OE1-NE 3.63Å; E252-R307 PolarHBondContact OE1-NE 2.72Å; E252-R307 VanDerWaalsContact OE1-NE 3.11Å; E252-R307 IonicContact OE1-NH2 2.71Å; E252-R307 PolarHBondContact OE1-NH2 2.89Å; E252-R307 WeakPolarHBondContact OE2-CD 3.48Å; E252-R307 IonicContact OE2-CZ 3.49Å; E252-R307 IonicContact OE2-NE 3.45Å; E252-R307 PolarHBondContact OE2-NE 3.33Å; E252-R307 IonicContact OE2-NH2 3.49Å
253W97.9Very high96.9Very high17 Ų1732 Ų326%0.06416%0.157CC..Hα-helixtrans-49.1-52.5173164.754.1000111.2Y249 L250 H255 V256 Q257 V291 S292 L293 F296 V385Y249-W253 PolarHBondContact O-N 2.86Å; L250-W253 HydrophobicContact CD2-CE3 4.17Å; W253-H255 PolarHBondContact O-N 2.83Å; W253-H255 VanDerWaalsContact O-N 3.12Å; W253-V256 PolarHBondContact O-N 3.26Å; W253-V256 VanDerWaalsContact O-N 3.15Å; W253-Q257 VanDerWaalsContact O-CB 3.3Å; W253-Q257 WeakPolarHBondContact O-CB 3.45Å; W253-Q257 PolarHBondContact O-N 2.82Å; W253-V291 PolarHBondContact NE1-O 3.48Å; W253-S292 PolarHBondContact NE1-O 2.84Å; W253-L293 HydrophobicContact CB-CD1 4.49Å; W253-L293 HydrophobicContact CD2-CB 4.13Å; W253-L293 HydrophobicContact CD2-CD1 3.85Å; W253-L293 HydrophobicContact CE3-CB 4.33Å; W253-L293 HydrophobicContact CE3-CD1 3.9Å; W253-L293 HydrophobicContact CG-CD1 4.09Å; W253-L293 HydrophobicContact CH2-CB 3.79Å; W253-L293 HydrophobicContact CZ2-CB 3.64Å; W253-L293 HydrophobicContact CZ3-CB 4.16Å; W253-L293 HydrophobicContact CZ3-CD1 4.38Å; W253-L293 HydrophobicContact CZ3-CD2 4.35Å; W253-F296 HydrophobicContact CB-CD1 3.67Å; W253-F296 HydrophobicContact CB-CE1 3.73Å; W253-F296 HydrophobicContact CB-CG 4.08Å; W253-F296 HydrophobicContact CB-CZ 4.2Å; W253-F296 AromaticContact CD1-CG 3.74Å; W253-F296 HydrophobicContact CG-CB 4.43Å; W253-F296 HydrophobicContact CG-CD1 4.19Å; W253-F296 HydrophobicContact CG-CG 4.21Å; W253-V385 HydrophobicContact CH2-CG1 4.45Å; W253-V385 HydrophobicContact CZ3-CG1 3.69Å; W253-V385 HydrophobicContact CZ3-CG2 4.1Å
254K96.9Very high96.8Very high41 Ų4135.8 Ų35.818%0.17818%0.183CC..Hα-helixtrans-62.8-21177.8-74.5-51.8-165-1680113.9L250 E252 Q257 R258 V385L250-K254 WeakPolarHBondContact O-CB 3.42Å; L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 3.29Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 2.98Å; K254-Q257 VanDerWaalsContact NZ-OE1 3.17Å; K254-R258 VanDerWaalsContact O-CD 3.28Å; K254-R258 WeakPolarHBondContact O-CD 3.23Å; K254-R258 VanDerWaalsContact O-CG 3.25Å; K254-R258 WeakPolarHBondContact O-CG 3.24Å; K254-R258 PolarHBondContact O-NE 2.88Å; K254-V385 HydrophobicContact CD-CG2 4.36Å; K254-V385 HydrophobicContact CG-CG2 3.98Å
255H96.4Very high96.8Very high62 Ų6235.1 Ų35.129%0.28718%0.181SC..Hα-helixtrans-84.2-41.4175.2-158.3-167.8000111K153 S251 E252 W253 R258 A260 W262K153-H255 HydrophobicContact CD-CB 4.23Å; K153-H255 VanDerWaalsContact NZ-CG 3.33Å; K153-H255 PolarHBondContact NZ-ND1 3.02Å; S251-H255 PolarHBondContact O-N 3.18Å; E252-H255 CarbonylContact O-C 3.18Å; E252-H255 WeakPolarHBondContact O-CA 3.34Å; E252-H255 WeakPolarHBondContact O-CB 3.23Å; E252-H255 PolarHBondContact O-N 3.01Å; W253-H255 PolarHBondContact O-N 2.83Å; W253-H255 VanDerWaalsContact O-N 3.12Å; H255-R258 PolarHBondContact O-N 2.87Å; H255-R258 VanDerWaalsContact O-N 3.12Å; H255-A260 HydrophobicContact CB-CB 4.15Å; H255-A260 VanDerWaalsContact O-CB 3.28Å; H255-A260 WeakPolarHBondContact O-CB 3.27Å; H255-A260 PolarHBondContact O-N 3.41Å; H255-W262 HydrophobicContact CB-CH2 4.43Å; H255-W262 AromaticContact CE1-CZ2 3.97Å; H255-W262 AromaticContact ND1-CH2 3.74Å; H255-W262 AromaticContact ND1-CZ2 3.39Å; H255-W262 WeakPolarHBondContact ND1-CZ2 3.33Å
256V97.4Very high96.7Very high9 Ų938.7 Ų38.76%0.05520%0.2CC..Hα-helixtrans-64.1-44.3177.1172.80000110.9E252 W253 R258 G259 A260 W262 W288 V291 F296E252-V256 HydrophobicContact CG-CG2 4.19Å; E252-V256 WeakPolarHBondContact O-CG2 3.5Å; E252-V256 PolarHBondContact O-N 2.55Å; W253-V256 PolarHBondContact O-N 3.26Å; W253-V256 VanDerWaalsContact O-N 3.15Å; V256-R258 PolarHBondContact O-N 3.44Å; V256-G259 PolarHBondContact O-N 2.83Å; V256-A260 WeakPolarHBondContact CA-O 3.35Å; V256-A260 WeakPolarHBondContact CG2-O 3.34Å; V256-W262 HydrophobicContact CG2-CZ3 3.93Å; V256-W288 HydrophobicContact CG1-CB 3.68Å; V256-W288 HydrophobicContact CG1-CD2 4.31Å; V256-W288 HydrophobicContact CG1-CE3 3.88Å; V256-W288 HydrophobicContact CG1-CG 4.27Å; V256-V291 HydrophobicContact CG1-CG1 4.11Å; V256-F296 HydrophobicContact CB-CE2 4Å; V256-F296 HydrophobicContact CG1-CD2 4.32Å; V256-F296 HydrophobicContact CG1-CE2 3.98Å; V256-F296 HydrophobicContact CG2-CE2 3.96Å; V256-F296 HydrophobicContact CG2-CZ 4.44Å
257Q96.5Very high96.7Very high53 Ų5339.9 Ų39.925%0.24821%0.205CC..THydrogen-bonded Turntrans-53.2-21.3172.3-176.8174.763.800113.2W253 K254 G290 V291W253-Q257 VanDerWaalsContact O-CB 3.3Å; W253-Q257 WeakPolarHBondContact O-CB 3.45Å; W253-Q257 PolarHBondContact O-N 2.82Å; K254-Q257 VanDerWaalsContact NZ-OE1 3.17Å; Q257-G290 PolarHBondContact O-N 3.24Å; Q257-V291 HydrophobicContact CB-CG1 4.34Å; Q257-V291 PolarHBondContact NE2-O 3.37Å
258R95.3Very high96.7Very high137 Ų13741.2 Ų41.252%0.51721%0.208SC..THydrogen-bonded Turntrans-103.914178.5-52.7173.8-152.5-107.4-4.9113.1K254 H255 V256K254-R258 VanDerWaalsContact O-CD 3.28Å; K254-R258 WeakPolarHBondContact O-CD 3.23Å; K254-R258 VanDerWaalsContact O-CG 3.25Å; K254-R258 WeakPolarHBondContact O-CG 3.24Å; K254-R258 PolarHBondContact O-NE 2.88Å; H255-R258 PolarHBondContact O-N 2.87Å; H255-R258 VanDerWaalsContact O-N 3.12Å; V256-R258 PolarHBondContact O-N 3.44Å
259G95.4Very high96.7Very high25 Ų2541.5 Ų41.526%0.25821%0.209SC..THydrogen-bonded Turntrans989.5176.200000115.8V256 T261V256-G259 PolarHBondContact O-N 2.83Å; G259-T261 PolarHBondContact O-N 3.4Å
260A95.8Very high96.6Very high15 Ų1546.9 Ų46.912%0.12424%0.238CC..  trans-75.4127.7173.800000111.1H255 V256 W262H255-A260 HydrophobicContact CB-CB 4.15Å; H255-A260 VanDerWaalsContact O-CB 3.28Å; H255-A260 WeakPolarHBondContact O-CB 3.27Å; H255-A260 PolarHBondContact O-N 3.41Å; V256-A260 WeakPolarHBondContact CA-O 3.35Å; V256-A260 WeakPolarHBondContact CG2-O 3.34Å; A260-W262 HydrophobicContact CB-CH2 4.23Å; A260-W262 HydrophobicContact CB-CZ2 4.32Å; A260-W262 HydrophobicContact CB-CZ3 4.44Å
261T94.9Very high96.5Very high40 Ų4049.8 Ų49.825%0.24527%0.27CS..  trans-121.9-36.3177.758.30000113.1G259 K263 Y283 D287G259-T261 PolarHBondContact O-N 3.4Å; T261-K263 PolarHBondContact O-N 3.42Å; T261-K263 WeakPolarHBondContact OG1-CG 3.42Å; T261-K263 PolarHBondContact OG1-N 3.48Å; T261-Y283 WeakPolarHBondContact CB-OH 3.18Å; T261-Y283 HydrophobicContact CG2-CE1 4.26Å; T261-Y283 HydrophobicContact CG2-CE2 4.31Å; T261-Y283 WeakPolarHBondContact CG2-OH 3.37Å; T261-D287 HydrophobicContact CG2-CB 3.41Å; T261-D287 VanDerWaalsContact CG2-CB 3.41Å
262W95.9Very high96.5Very high38 Ų3854.4 Ų54.414%0.14429%0.286CS..  trans5329-165.5-51.3-82.1000113.4Q152 K153 L206 H207 E252 H255 V256 A260 T264 S265Q152-W262 HydrophobicContact CB-CH2 4.22Å; Q152-W262 HydrophobicContact CB-CZ2 4.01Å; Q152-W262 HydrophobicContact CG-CD2 3.91Å; Q152-W262 HydrophobicContact CG-CE3 4.3Å; Q152-W262 HydrophobicContact CG-CG 4.42Å; Q152-W262 HydrophobicContact CG-CH2 4.09Å; Q152-W262 HydrophobicContact CG-CZ2 3.64Å; Q152-W262 HydrophobicContact CG-CZ3 4.39Å; K153-W262 HydrophobicContact CD-CH2 4.15Å; K153-W262 HydrophobicContact CD-CZ2 4.16Å; L206-W262 HydrophobicContact CD2-CB 3.92Å; L206-W262 HydrophobicContact CD2-CG 4.42Å; H207-W262 AromaticContact CD2-CD1 3.45Å; H207-W262 VanDerWaalsContact CD2-CD1 3.45Å; H207-W262 AromaticContact CD2-NE1 3.6Å; H207-W262 AromaticContact NE2-CD1 3.79Å; H207-W262 AromaticContact NE2-NE1 3.43Å; H207-W262 PolarHBondContact NE2-NE1 3.46Å; E252-W262 HydrophobicContact CG-CH2 3.9Å; E252-W262 HydrophobicContact CG-CZ3 3.86Å; H255-W262 HydrophobicContact CB-CH2 4.43Å; H255-W262 AromaticContact CE1-CZ2 3.97Å; H255-W262 AromaticContact ND1-CH2 3.74Å; H255-W262 AromaticContact ND1-CZ2 3.39Å; H255-W262 WeakPolarHBondContact ND1-CZ2 3.33Å; V256-W262 HydrophobicContact CG2-CZ3 3.93Å; A260-W262 HydrophobicContact CB-CH2 4.23Å; A260-W262 HydrophobicContact CB-CZ2 4.32Å; A260-W262 HydrophobicContact CB-CZ3 4.44Å; W262-T264 PolarHBondContact O-N 3.11Å; W262-S265 WeakPolarHBondContact O-CB 3.23Å; W262-S265 PolarHBondContact O-N 3.26Å; W262-S265 PolarHBondContact O-OG 2.93Å
263K93.6Very high96.5Very high119 Ų11956.8 Ų56.852%0.51730%0.303SS..THydrogen-bonded Turntrans-61.2-12.9-175.767.9-175.1179.2-176.80115.7T261 D286T261-K263 PolarHBondContact O-N 3.42Å; T261-K263 WeakPolarHBondContact OG1-CG 3.42Å; T261-K263 PolarHBondContact OG1-N 3.48Å; K263-D286 PolarHBondContact NZ-O 2.87Å; K263-D286 IonicContact NZ-OD1 3.25Å; K263-D286 PolarHBondContact NZ-OD1 2.61Å
264T95.6Very high96.5Very high100 Ų10057.1 Ų57.161%0.61331%0.307SS*.THydrogen-bonded Turntrans-94.312175.461.80000113.4L206 W262L206-T264 VanDerWaalsContact CD2-OG1 3.31Å; L206-T264 WeakPolarHBondContact CD2-OG1 3.49Å; W262-T264 PolarHBondContact O-N 3.11Å
265S97.3Very high96.4Very high16 Ų1658.2 Ų58.211%0.11232%0.317CS..  trans-67.2139168.9-51.30000109L206 W262 H267L206-S265 PolarHBondContact O-OG 2.86Å; W262-S265 WeakPolarHBondContact O-CB 3.23Å; W262-S265 PolarHBondContact O-N 3.26Å; W262-S265 PolarHBondContact O-OG 2.93Å; S265-H267 WeakPolarHBondContact CB-NE2 3.4Å
266L97.1Very high96.3Very high77 Ų7760.3 Ų60.340%0.40334%0.336SS..  trans-84-34.2-173.6-56.5176.2000111.8M268 S273L266-M268 HydrophobicContact CB-CG 3.77Å; L266-M268 HydrophobicContact CD1-CG 4.35Å; L266-M268 PolarHBondContact O-N 2.88Å; L266-S273 VanDerWaalsContact O-CB 3.28Å; L266-S273 WeakPolarHBondContact O-CB 3.25Å; L266-S273 PolarHBondContact O-OG 3.4Å
267H97.9Very high96.1Very high27 Ų2767 Ų6713%0.12537%0.372CS..  trans56.339.7-176.8-63.4-49.7000111.4E212 S265 C269 P274 Y321E212-H267 WeakPolarHBondContact OE1-CA 3.3Å; E212-H267 PolarHBondContact OE1-N 2.97Å; S265-H267 WeakPolarHBondContact CB-NE2 3.4Å; H267-C269 PolarHBondContact O-N 3.42Å; H267-P274 HydrophobicContact CB-CG 3.74Å; H267-P274 WeakPolarHBondContact O-CD 3.5Å; H267-Y321 HydrophobicContact CB-CE2 3.74Å; H267-Y321 WeakPolarHBondContact CB-OH 3.4Å; H267-Y321 PolarHBondContact ND1-OH 2.75Å; H267-Y321 VanDerWaalsContact O-CE2 3.3Å; H267-Y321 WeakPolarHBondContact O-CE2 2.97Å
268M97.8Very high96Very high66 Ų6666.4 Ų66.433%0.32537%0.369SS..  trans-66.6124.5-176.7-72.6-71.3-65.200111E212 L266 G271 R272E212-M268 HydrophobicContact CG-CB 4.05Å; E212-M268 WeakPolarHBondContact CG-O 3.41Å; E212-M268 PolarHBondContact OE1-N 3.27Å; L266-M268 HydrophobicContact CB-CG 3.77Å; L266-M268 HydrophobicContact CD1-CG 4.35Å; L266-M268 PolarHBondContact O-N 2.88Å; M268-G271 WeakPolarHBondContact CE-O 3.39Å; M268-R272 WeakPolarHBondContact CA-O 3.28Å
269C98.1Very high96Very high5 Ų561.6 Ų61.63%0.03435%0.353CS..BIsolated β-bridgetrans-146.6137.5173.2-176.60000108.3T211 H267 G271 R272 C320 Y321T211-C269 HydrophobicContact CG2-CB 4.25Å; H267-C269 PolarHBondContact O-N 3.42Å; C269-G271 PolarHBondContact O-N 3.34Å; C269-G271 VanDerWaalsContact O-N 3.12Å; C269-R272 PolarHBondContact N-O 2.99Å; C269-R272 PolarHBondContact O-N 3.1Å; C269-R272 VanDerWaalsContact O-N 3.12Å; C269-C320 VanDerWaalsContact C-SG 3.58Å; C269-C320 HydrophobicContact CB-CB 3.57Å; C269-C320 WeakPolarHBondContact CB-SG 3.07Å; C269-C320 VanDerWaalsContact SG-CA 3.53Å; C269-C320 WeakPolarHBondContact SG-CB 3.33Å; C269-C320 CovalentContact SG-SG 2.03Å; C269-C320 PolarHBondContact SG-SG 2.88Å; C269-Y321 HydrophobicContact CB-CE2 4.42Å
270D96.3Very high96Very high114 Ų11462.8 Ų62.861%0.6136%0.357SS*.THydrogen-bonded Turntrans47.940.3-174-63.5-11.4000114R272 S316 C320D270-R272 VanDerWaalsContact C-N 3.34Å; D270-R272 PolarHBondContact O-N 3.34Å; D270-S316 VanDerWaalsContact OD1-CB 3.24Å; D270-S316 WeakPolarHBondContact OD1-CB 3.43Å; D270-C320 VanDerWaalsContact CG-SG 3.53Å; D270-C320 PolarHBondContact OD2-SG 3.47Å; D270-C320 VanDerWaalsContact OD2-SG 3.42Å
271G95.4Very high96Very high69 Ų6966.4 Ų66.471%0.71138%0.377SS*.THydrogen-bonded Turntrans78.87.1174.700000115.8M268 C269M268-G271 WeakPolarHBondContact CE-O 3.39Å; C269-G271 PolarHBondContact O-N 3.34Å; C269-G271 VanDerWaalsContact O-N 3.12Å
272R97.2Very high96.1Very high109 Ų10965.7 Ų65.741%0.41137%0.374SS..BIsolated β-bridgetrans-140.2160.3176.566.6176.5-175.188.2-3.9113.7M268 C269 D270 E278M268-R272 WeakPolarHBondContact CA-O 3.28Å; C269-R272 PolarHBondContact N-O 2.99Å; C269-R272 PolarHBondContact O-N 3.1Å; C269-R272 VanDerWaalsContact O-N 3.12Å; D270-R272 VanDerWaalsContact C-N 3.34Å; D270-R272 PolarHBondContact O-N 3.34Å; R272-E278 IonicContact CZ-OE1 3.73Å; R272-E278 IonicContact CZ-OE2 2.7Å; R272-E278 IonicContact NH1-OE1 3.88Å; R272-E278 PolarHBondContact NH1-OE1 2.6Å; R272-E278 IonicContact NH1-OE2 3.11Å; R272-E278 PolarHBondContact NH1-OE2 3.01Å; R272-E278 IonicContact NH2-OE1 3.31Å; R272-E278 PolarHBondContact NH2-OE1 3.07Å; R272-E278 IonicContact NH2-OE2 2.79Å
273S97.6Very high96Very high53 Ų5365.3 Ų65.337%0.37137%0.372SS..PPolyproline II helixtrans-80.5152165.8-690000110.8L266L266-S273 VanDerWaalsContact O-CB 3.28Å; L266-S273 WeakPolarHBondContact O-CB 3.25Å; L266-S273 PolarHBondContact O-OG 3.4Å
274P97.3Very high95.7Very high25 Ų2565.5 Ų65.516%0.16239%0.386CS..PPolyproline II helixtrans-66.2149.1173.428-34.8000111H267 E278 L279 Y321H267-P274 HydrophobicContact CB-CG 3.74Å; H267-P274 WeakPolarHBondContact O-CD 3.5Å; P274-E278 WeakPolarHBondContact CA-OE2 3.28Å; P274-E278 HydrophobicContact CB-CB 4.1Å; P274-L279 HydrophobicContact CB-CB 4.03Å; P274-L279 HydrophobicContact CG-CB 4.09Å; P274-L279 HydrophobicContact CG-CD1 4.11Å; P274-Y321 HydrophobicContact CB-CD2 3.86Å; P274-Y321 HydrophobicContact CB-CG 4.01Å; P274-Y321 HydrophobicContact CG-CD2 3.9Å; P274-Y321 HydrophobicContact CG-CE2 4.23Å; P274-Y321 HydrophobicContact CG-CG 4.27Å
275T95.5Very high95.6Very high63 Ų6364.2 Ų64.239%0.38739%0.392SS..PPolyproline II helixtrans-74.5161.4169.961.70000111D277 E278 L279T275-D277 PolarHBondContact O-N 2.91Å; T275-E278 PolarHBondContact N-OE2 3.35Å; T275-E278 PolarHBondContact O-N 2.7Å; T275-E278 VanDerWaalsContact O-N 3.12Å; T275-E278 WeakPolarHBondContact OG1-CG 3.31Å; T275-E278 PolarHBondContact OG1-N 3.37Å; T275-E278 PolarHBondContact OG1-OE2 3.27Å; T275-E278 VanDerWaalsContact OG1-OE2 3.13Å; T275-L279 PolarHBondContact O-N 3.06Å
276P93.7Very high95.3Very high106 Ų10669.3 Ų69.369%0.68842%0.418SS*.THydrogen-bonded Turntrans-58.3-25.1172.7-25.735.8000114.2L279 P280P276-L279 CarbonylContact O-C 3.52Å; P276-L279 VanDerWaalsContact O-C 3.27Å; P276-P280 VanDerWaalsContact O-CA 3.3Å; P276-P280 WeakPolarHBondContact O-CA 3.4Å; P276-P280 WeakPolarHBondContact O-CG 3.22Å; P276-P280 VanDerWaalsContact O-N 3.16Å
277D93.6Very high95.3Very high151 Ų15168.3 Ų68.381%0.80741%0.413SS*.THydrogen-bonded Turntrans-75.5-37176-63-28.7000111.8T275T275-D277 PolarHBondContact O-N 2.91Å
278E95.3Very high95.2Very high40 Ų4068.8 Ų68.819%0.18741%0.414CS..THydrogen-bonded Turntrans-74.5-30.5174.9-70.2168.6135.700112.3R272 P274 T275R272-E278 IonicContact CZ-OE1 3.73Å; R272-E278 IonicContact CZ-OE2 2.7Å; R272-E278 IonicContact NH1-OE1 3.88Å; R272-E278 PolarHBondContact NH1-OE1 2.6Å; R272-E278 IonicContact NH1-OE2 3.11Å; R272-E278 PolarHBondContact NH1-OE2 3.01Å; R272-E278 IonicContact NH2-OE1 3.31Å; R272-E278 PolarHBondContact NH2-OE1 3.07Å; R272-E278 IonicContact NH2-OE2 2.79Å; P274-E278 WeakPolarHBondContact CA-OE2 3.28Å; P274-E278 HydrophobicContact CB-CB 4.1Å; T275-E278 PolarHBondContact N-OE2 3.35Å; T275-E278 PolarHBondContact O-N 2.7Å; T275-E278 VanDerWaalsContact O-N 3.12Å; T275-E278 WeakPolarHBondContact OG1-CG 3.31Å; T275-E278 PolarHBondContact OG1-N 3.37Å; T275-E278 PolarHBondContact OG1-OE2 3.27Å; T275-E278 VanDerWaalsContact OG1-OE2 3.13Å
279L95.6Very high95.1Very high35 Ų3569 Ų6918%0.18342%0.422CS..SBendtrans-138.782.7179.6-162.6143.4000111.2P274 T275 P276 L303 Y321P274-L279 HydrophobicContact CB-CB 4.03Å; P274-L279 HydrophobicContact CG-CB 4.09Å; P274-L279 HydrophobicContact CG-CD1 4.11Å; T275-L279 PolarHBondContact O-N 3.06Å; P276-L279 CarbonylContact O-C 3.52Å; P276-L279 VanDerWaalsContact O-C 3.27Å; L279-L303 HydrophobicContact CD1-CD1 4.31Å; L279-L303 HydrophobicContact CD1-CD2 3.87Å; L279-L303 HydrophobicContact CD2-CD1 4.09Å; L279-L303 HydrophobicContact CG-CD2 4.38Å; L279-Y321 HydrophobicContact CD1-CD1 3.57Å; L279-Y321 HydrophobicContact CD1-CE1 3.63Å; L279-Y321 HydrophobicContact CD1-CG 4.23Å
280P95.5Very high95Very high51 Ų5171.6 Ų71.633%0.33145%0.45SS..  trans-68.5158.7178.1-20.633.5000113.4P276 Y301P276-P280 VanDerWaalsContact O-CA 3.3Å; P276-P280 WeakPolarHBondContact O-CA 3.4Å; P276-P280 WeakPolarHBondContact O-CG 3.22Å; P276-P280 VanDerWaalsContact O-N 3.16Å; P280-Y301 HydrophobicContact CB-CD1 4.19Å; P280-Y301 HydrophobicContact CB-CD2 3.89Å; P280-Y301 HydrophobicContact CB-CE1 4.19Å; P280-Y301 HydrophobicContact CB-CE2 3.86Å; P280-Y301 HydrophobicContact CB-CG 4.04Å; P280-Y301 HydrophobicContact CG-CD1 4.44Å; P280-Y301 HydrophobicContact CG-CG 4.34Å; P280-Y301 WeakPolarHBondContact O-CD2 3.38Å; P280-Y301 WeakPolarHBondContact O-CE2 2.96Å
281T94.9Very high95.1Very high90 Ų9066.4 Ų66.455%0.55242%0.422SS*.  trans-96.6135.9179.455.50000112.6Y283 Y301T281-Y283 PolarHBondContact O-N 3.15Å; T281-Y283 PolarHBondContact OG1-O 3.29Å; T281-Y301 VanDerWaalsContact O-CE2 3.22Å; T281-Y301 WeakPolarHBondContact O-CE2 3.35Å; T281-Y301 PolarHBondContact O-OH 2.84Å
282C96.4Very high95.1Very high25 Ų2565.1 Ų65.117%0.16940%0.402CS..SBendtrans-79.8-6.3-170.8-74.20000113W288 C299 Y301 N302C282-W288 HydrophobicContact CB-CD2 4.13Å; C282-W288 HydrophobicContact CB-CE3 3.7Å; C282-W288 HydrophobicContact CB-CH2 3.35Å; C282-W288 HydrophobicContact CB-CZ2 3.77Å; C282-W288 HydrophobicContact CB-CZ3 3.29Å; C282-C299 HydrophobicContact CB-CB 3.84Å; C282-C299 WeakPolarHBondContact CB-SG 3.29Å; C282-C299 WeakPolarHBondContact SG-CB 3.33Å; C282-C299 CovalentContact SG-SG 2.04Å; C282-C299 PolarHBondContact SG-SG 3.01Å; C282-Y301 VanDerWaalsContact CA-CE2 3.46Å; C282-Y301 HydrophobicContact CB-CE2 4.02Å; C282-Y301 WeakPolarHBondContact SG-CE2 3.41Å; C282-N302 VanDerWaalsContact SG-CA 3.51Å
283Y94.1Very high95.1Very high31 Ų3161.3 Ų61.312%0.12239%0.39CS..SBendtrans-133.9143.3-17454-89.8000109.2T261 T281 D287 W288T261-Y283 WeakPolarHBondContact CB-OH 3.18Å; T261-Y283 HydrophobicContact CG2-CE1 4.26Å; T261-Y283 HydrophobicContact CG2-CE2 4.31Å; T261-Y283 WeakPolarHBondContact CG2-OH 3.37Å; T281-Y283 PolarHBondContact O-N 3.15Å; T281-Y283 PolarHBondContact OG1-O 3.29Å; Y283-D287 VanDerWaalsContact CD2-O 3.27Å; Y283-D287 WeakPolarHBondContact CD2-O 3.37Å; Y283-W288 HydrophobicContact CD1-CB 3.59Å; Y283-W288 HydrophobicContact CD1-CD2 4.23Å; Y283-W288 HydrophobicContact CD1-CE3 4.32Å; Y283-W288 AromaticContact CD1-CG 3.98Å; Y283-W288 HydrophobicContact CD1-CG 3.98Å; Y283-W288 HydrophobicContact CE1-CB 4.4Å; Y283-W288 HydrophobicContact CG-CB 3.75Å; Y283-W288 HydrophobicContact CG-CG 4.09Å
284P88.8Confident95.1Very high123 Ų12367.9 Ų67.980%0.79941%0.406SS*.SBendtrans-75.2148165.332.3-32.7000110
285G91.8Very high95.1Very high72 Ų7271.8 Ų71.874%0.74242%0.423SS*.SBendtrans78.5-140.3172.600000114.8
286D92.6Very high95.2Very high124 Ų12468.9 Ų68.966%0.66341%0.405SS*.SBendtrans-84.5-39.1-163.8-88.5-43.3000115.3K263K263-D286 PolarHBondContact NZ-O 2.87Å; K263-D286 IonicContact NZ-OD1 3.25Å; K263-D286 PolarHBondContact NZ-OD1 2.61Å
287D95.2Very high95.4Very high56 Ų5664.5 Ų64.530%0.29938%0.375SS..  trans-153.7179.4-179.669.733.4000112.8T261 Y283 S289T261-D287 HydrophobicContact CG2-CB 3.41Å; T261-D287 VanDerWaalsContact CG2-CB 3.41Å; Y283-D287 VanDerWaalsContact CD2-O 3.27Å; Y283-D287 WeakPolarHBondContact CD2-O 3.37Å; D287-S289 WeakPolarHBondContact OD1-CB 3.46Å; D287-S289 PolarHBondContact OD1-N 2.8Å; D287-S289 PolarHBondContact OD1-OG 3.46Å
288W96.6Very high95.6Very high36 Ų3662.1 Ų62.114%0.13636%0.363CS..  trans-110.938.1178.1-149.67.3000111.7V256 C282 Y283 V291 E295 F296 C299V256-W288 HydrophobicContact CG1-CB 3.68Å; V256-W288 HydrophobicContact CG1-CD2 4.31Å; V256-W288 HydrophobicContact CG1-CE3 3.88Å; V256-W288 HydrophobicContact CG1-CG 4.27Å; C282-W288 HydrophobicContact CB-CD2 4.13Å; C282-W288 HydrophobicContact CB-CE3 3.7Å; C282-W288 HydrophobicContact CB-CH2 3.35Å; C282-W288 HydrophobicContact CB-CZ2 3.77Å; C282-W288 HydrophobicContact CB-CZ3 3.29Å; Y283-W288 HydrophobicContact CD1-CB 3.59Å; Y283-W288 HydrophobicContact CD1-CD2 4.23Å; Y283-W288 HydrophobicContact CD1-CE3 4.32Å; Y283-W288 AromaticContact CD1-CG 3.98Å; Y283-W288 HydrophobicContact CD1-CG 3.98Å; Y283-W288 HydrophobicContact CE1-CB 4.4Å; Y283-W288 HydrophobicContact CG-CB 3.75Å; Y283-W288 HydrophobicContact CG-CG 4.09Å; W288-V291 HydrophobicContact CD2-CB 4.12Å; W288-V291 HydrophobicContact CD2-CG1 4.23Å; W288-V291 HydrophobicContact CD2-CG2 3.88Å; W288-V291 HydrophobicContact CG-CB 3.88Å; W288-V291 HydrophobicContact CG-CG1 4.14Å; W288-V291 HydrophobicContact CG-CG2 4.12Å; W288-V291 HydrophobicContact CH2-CG2 4.47Å; W288-V291 HydrophobicContact CZ2-CG2 3.69Å; W288-V291 VanDerWaalsContact NE1-CG2 3.27Å; W288-V291 WeakPolarHBondContact O-CB 3.29Å; W288-V291 VanDerWaalsContact O-CG1 3.29Å; W288-V291 WeakPolarHBondContact O-CG1 3.32Å; W288-V291 PolarHBondContact O-N 2.96Å; W288-E295 WeakPolarHBondContact CZ2-O 3.17Å; W288-F296 AromaticContact CE3-CD2 3.85Å; W288-F296 HydrophobicContact CE3-CD2 3.85Å; W288-F296 HydrophobicContact CE3-CE2 4.13Å; W288-F296 HydrophobicContact CH2-CB 4.46Å; W288-F296 AromaticContact CH2-CD2 3.92Å; W288-F296 HydrophobicContact CH2-CD2 3.92Å; W288-F296 HydrophobicContact CH2-CG 4.49Å; W288-F296 AromaticContact CZ3-CD2 3.43Å; W288-F296 HydrophobicContact CZ3-CD2 3.43Å; W288-F296 VanDerWaalsContact CZ3-CD2 3.43Å; W288-F296 AromaticContact CZ3-CE2 3.79Å; W288-F296 HydrophobicContact CZ3-CE2 3.79Å; W288-F296 HydrophobicContact CZ3-CG 4.37Å; W288-C299 HydrophobicContact CH2-CB 3.64Å; W288-C299 HydrophobicContact CZ2-CB 4.24Å
289S96.8Very high95.7Very high71 Ų7160.9 Ų60.950%0.49736%0.358SS..THydrogen-bonded Turntrans-61.3145178.354.90000111.5D287 V291D287-S289 WeakPolarHBondContact OD1-CB 3.46Å; D287-S289 PolarHBondContact OD1-N 2.8Å; D287-S289 PolarHBondContact OD1-OG 3.46Å; S289-V291 PolarHBondContact O-N 3.47Å
290G95.9Very high95.7Very high60 Ų6064.1 Ų64.162%0.61938%0.384SS*.THydrogen-bonded Turntrans77.4-10.5-178.800000116.1Q257 S292Q257-G290 PolarHBondContact O-N 3.24Å; G290-S292 PolarHBondContact O-N 2.72Å
291V97.3Very high95.6Very high4 Ų466.2 Ų66.22%0.02439%0.386CS..  trans-49.1131.8-176.769.20000113.2W253 V256 Q257 W288 S289 E295 F296W253-V291 PolarHBondContact NE1-O 3.48Å; V256-V291 HydrophobicContact CG1-CG1 4.11Å; Q257-V291 HydrophobicContact CB-CG1 4.34Å; Q257-V291 PolarHBondContact NE2-O 3.37Å; W288-V291 HydrophobicContact CD2-CB 4.12Å; W288-V291 HydrophobicContact CD2-CG1 4.23Å; W288-V291 HydrophobicContact CD2-CG2 3.88Å; W288-V291 HydrophobicContact CG-CB 3.88Å; W288-V291 HydrophobicContact CG-CG1 4.14Å; W288-V291 HydrophobicContact CG-CG2 4.12Å; W288-V291 HydrophobicContact CH2-CG2 4.47Å; W288-V291 HydrophobicContact CZ2-CG2 3.69Å; W288-V291 VanDerWaalsContact NE1-CG2 3.27Å; W288-V291 WeakPolarHBondContact O-CB 3.29Å; W288-V291 VanDerWaalsContact O-CG1 3.29Å; W288-V291 WeakPolarHBondContact O-CG1 3.32Å; W288-V291 PolarHBondContact O-N 2.96Å; S289-V291 PolarHBondContact O-N 3.47Å; V291-E295 HydrophobicContact CG2-CB 3.67Å; V291-F296 HydrophobicContact CG1-CD2 4.25Å; V291-F296 HydrophobicContact CG2-CB 4.17Å
292S96.8Very high95.7Very high43 Ų4362.5 Ų62.530%0.30136%0.363SS..  trans-72.6161.8173.669.70000111.5W253 G290 R294 E295 F296W253-S292 PolarHBondContact NE1-O 2.84Å; G290-S292 PolarHBondContact O-N 2.72Å; S292-R294 PolarHBondContact O-N 2.94Å; S292-E295 VanDerWaalsContact CB-OE2 3.28Å; S292-E295 WeakPolarHBondContact CB-OE2 3.46Å; S292-E295 PolarHBondContact N-OE2 3.05Å; S292-E295 VanDerWaalsContact OG-CD 3.27Å; S292-E295 VanDerWaalsContact OG-CG 3.28Å; S292-E295 WeakPolarHBondContact OG-CG 3.5Å; S292-E295 PolarHBondContact OG-N 3Å; S292-E295 PolarHBondContact OG-OE2 2.96Å; S292-F296 WeakPolarHBondContact O-CB 3.03Å; S292-F296 PolarHBondContact O-N 2.94Å
293L96.6Very high95.8Very high28 Ų2863.1 Ų63.115%0.14736%0.364CS..Hα-helixtrans-62-37.1176.4178.957.6000111.2L250 W253 F296 M297 I387 I395L250-L293 HydrophobicContact CD2-CD1 4.04Å; L250-L293 HydrophobicContact CD2-CD2 4.15Å; W253-L293 HydrophobicContact CB-CD1 4.49Å; W253-L293 HydrophobicContact CD2-CB 4.13Å; W253-L293 HydrophobicContact CD2-CD1 3.85Å; W253-L293 HydrophobicContact CE3-CB 4.33Å; W253-L293 HydrophobicContact CE3-CD1 3.9Å; W253-L293 HydrophobicContact CG-CD1 4.09Å; W253-L293 HydrophobicContact CH2-CB 3.79Å; W253-L293 HydrophobicContact CZ2-CB 3.64Å; W253-L293 HydrophobicContact CZ3-CB 4.16Å; W253-L293 HydrophobicContact CZ3-CD1 4.38Å; W253-L293 HydrophobicContact CZ3-CD2 4.35Å; L293-F296 PolarHBondContact O-N 3.35Å; L293-M297 HydrophobicContact CD1-CG 4.15Å; L293-M297 HydrophobicContact CD1-SD 3.71Å; L293-M297 HydrophobicContact CD2-SD 4.3Å; L293-M297 HydrophobicContact CG-SD 3.63Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.33Å; L293-M297 PolarHBondContact O-N 3.29Å; L293-I387 HydrophobicContact CD2-CG2 3.88Å; L293-I395 HydrophobicContact CD1-CD1 4.45Å
294R96.6Very high96Very high191 Ų19161.7 Ų61.772%0.72136%0.358SS*.Hα-helixtrans-62-55.1178.8-178.9175.7179.6175.62.7111.5S292 F296 M297 D298S292-R294 PolarHBondContact O-N 2.94Å; R294-F296 PolarHBondContact O-N 3.44Å; R294-M297 PolarHBondContact O-N 3.41Å; R294-D298 WeakPolarHBondContact CG-OD2 3.25Å; R294-D298 IonicContact NE-OD2 3.82Å; R294-D298 WeakPolarHBondContact O-CB 3.49Å; R294-D298 PolarHBondContact O-N 3.48Å
295E97.4Very high96.5Very high108 Ų10856.9 Ų56.951%0.50533%0.326SS..Hα-helixtrans-59.7-36.3177.6-68.1160.813800112W288 V291 S292 M297 D298 C299W288-E295 WeakPolarHBondContact CZ2-O 3.17Å; V291-E295 HydrophobicContact CG2-CB 3.67Å; S292-E295 VanDerWaalsContact CB-OE2 3.28Å; S292-E295 WeakPolarHBondContact CB-OE2 3.46Å; S292-E295 PolarHBondContact N-OE2 3.05Å; S292-E295 VanDerWaalsContact OG-CD 3.27Å; S292-E295 VanDerWaalsContact OG-CG 3.28Å; S292-E295 WeakPolarHBondContact OG-CG 3.5Å; S292-E295 PolarHBondContact OG-N 3Å; S292-E295 PolarHBondContact OG-OE2 2.96Å; E295-M297 VanDerWaalsContact C-N 3.3Å; E295-M297 PolarHBondContact O-N 3.11Å; E295-D298 PolarHBondContact O-N 3.45Å; E295-C299 PolarHBondContact O-N 2.9Å
296F98.1Very high96.8Very high1 Ų154.6 Ų54.60%0.00430%0.297CS..Hα-helixtrans-63.4-36.3176.1-169.6-101.3000112.5Y249 E252 W253 V256 W288 V291 S292 L293 R294 N302 A304Y249-F296 HydrophobicContact CD1-CD1 4.45Å; Y249-F296 HydrophobicContact CD1-CE1 4.2Å; Y249-F296 HydrophobicContact CD2-CE1 4.45Å; Y249-F296 AromaticContact CE1-CD1 3.55Å; Y249-F296 HydrophobicContact CE1-CD1 3.55Å; Y249-F296 AromaticContact CE1-CE1 3.6Å; Y249-F296 HydrophobicContact CE1-CE1 3.6Å; Y249-F296 HydrophobicContact CE2-CD1 4.44Å; Y249-F296 AromaticContact CE2-CE1 3.88Å; Y249-F296 HydrophobicContact CE2-CE1 3.88Å; Y249-F296 AromaticContact CZ-CD1 3.54Å; Y249-F296 AromaticContact CZ-CE1 3.41Å; Y249-F296 VanDerWaalsContact CZ-CE1 3.41Å; Y249-F296 WeakPolarHBondContact OH-CD1 3.21Å; Y249-F296 PolarHBondContact OH-O 3.45Å; E252-F296 HydrophobicContact CG-CZ 4.27Å; W253-F296 HydrophobicContact CB-CD1 3.67Å; W253-F296 HydrophobicContact CB-CE1 3.73Å; W253-F296 HydrophobicContact CB-CG 4.08Å; W253-F296 HydrophobicContact CB-CZ 4.2Å; W253-F296 AromaticContact CD1-CG 3.74Å; W253-F296 HydrophobicContact CG-CB 4.43Å; W253-F296 HydrophobicContact CG-CD1 4.19Å; W253-F296 HydrophobicContact CG-CG 4.21Å; V256-F296 HydrophobicContact CB-CE2 4Å; V256-F296 HydrophobicContact CG1-CD2 4.32Å; V256-F296 HydrophobicContact CG1-CE2 3.98Å; V256-F296 HydrophobicContact CG2-CE2 3.96Å; V256-F296 HydrophobicContact CG2-CZ 4.44Å; W288-F296 AromaticContact CE3-CD2 3.85Å; W288-F296 HydrophobicContact CE3-CD2 3.85Å; W288-F296 HydrophobicContact CE3-CE2 4.13Å; W288-F296 HydrophobicContact CH2-CB 4.46Å; W288-F296 AromaticContact CH2-CD2 3.92Å; W288-F296 HydrophobicContact CH2-CD2 3.92Å; W288-F296 HydrophobicContact CH2-CG 4.49Å; W288-F296 AromaticContact CZ3-CD2 3.43Å; W288-F296 HydrophobicContact CZ3-CD2 3.43Å; W288-F296 VanDerWaalsContact CZ3-CD2 3.43Å; W288-F296 AromaticContact CZ3-CE2 3.79Å; W288-F296 HydrophobicContact CZ3-CE2 3.79Å; W288-F296 HydrophobicContact CZ3-CG 4.37Å; V291-F296 HydrophobicContact CG1-CD2 4.25Å; V291-F296 HydrophobicContact CG2-CB 4.17Å; S292-F296 WeakPolarHBondContact O-CB 3.03Å; S292-F296 PolarHBondContact O-N 2.94Å; L293-F296 PolarHBondContact O-N 3.35Å; R294-F296 PolarHBondContact O-N 3.44Å; F296-N302 WeakPolarHBondContact CD2-ND2 3.41Å; F296-N302 WeakPolarHBondContact CE1-ND2 3.35Å; F296-N302 VanDerWaalsContact CE2-ND2 3.29Å; F296-N302 WeakPolarHBondContact CE2-ND2 3.4Å; F296-N302 VanDerWaalsContact CZ-ND2 3.3Å; F296-N302 WeakPolarHBondContact CZ-ND2 3.09Å; F296-N302 PolarHBondContact O-ND2 2.89Å; F296-A304 HydrophobicContact CE1-CB 3.72Å; F296-A304 HydrophobicContact CZ-CB 3.52Å
297M98.1Very high97.1Very high15 Ų1549.1 Ų49.17%0.07427%0.267CS..Hα-helixtrans-80.6-26.5177.5-70.6167.263.900113.4Y249 L293 R294 E295 R394 I395 L398Y249-M297 HydrophobicContact CE1-CG 3.91Å; L293-M297 HydrophobicContact CD1-CG 4.15Å; L293-M297 HydrophobicContact CD1-SD 3.71Å; L293-M297 HydrophobicContact CD2-SD 4.3Å; L293-M297 HydrophobicContact CG-SD 3.63Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.33Å; L293-M297 PolarHBondContact O-N 3.29Å; R294-M297 PolarHBondContact O-N 3.41Å; E295-M297 VanDerWaalsContact C-N 3.3Å; E295-M297 PolarHBondContact O-N 3.11Å; M297-R394 HydrophobicContact CE-CB 3.47Å; M297-R394 VanDerWaalsContact CE-CB 3.47Å; M297-R394 HydrophobicContact CE-CG 3.14Å; M297-I395 HydrophobicContact CE-CG1 3.76Å; M297-I395 HydrophobicContact CG-CG1 4.47Å; M297-I395 HydrophobicContact SD-CD1 4.27Å; M297-I395 HydrophobicContact SD-CG1 3.79Å; M297-L398 HydrophobicContact CB-CD1 3.74Å; M297-L398 HydrophobicContact CE-CD1 4.28Å; M297-L398 HydrophobicContact CG-CD1 3.87Å
298D97.6Very high97.3Very high101 Ų10146.5 Ų46.554%0.5425%0.253SS..Hα-helixtrans-79.9-18.5-176.3-70.6-16.3000113R294 E295 S300R294-D298 WeakPolarHBondContact CG-OD2 3.25Å; R294-D298 IonicContact NE-OD2 3.82Å; R294-D298 WeakPolarHBondContact O-CB 3.49Å; R294-D298 PolarHBondContact O-N 3.48Å; E295-D298 PolarHBondContact O-N 3.45Å; D298-S300 PolarHBondContact O-N 2.88Å
299C97.3Very high97.4Very high14 Ų1444.8 Ų44.810%0.09525%0.246CC..  trans-73.6110.9174.5-176.40000111.8C282 W288 E295 Y301 N302C282-C299 HydrophobicContact CB-CB 3.84Å; C282-C299 WeakPolarHBondContact CB-SG 3.29Å; C282-C299 WeakPolarHBondContact SG-CB 3.33Å; C282-C299 CovalentContact SG-SG 2.04Å; C282-C299 PolarHBondContact SG-SG 3.01Å; W288-C299 HydrophobicContact CH2-CB 3.64Å; W288-C299 HydrophobicContact CZ2-CB 4.24Å; E295-C299 PolarHBondContact O-N 2.9Å; C299-Y301 VanDerWaalsContact C-N 3.31Å; C299-Y301 PolarHBondContact O-N 2.78Å; C299-Y301 VanDerWaalsContact SG-CD2 3.51Å; C299-Y301 WeakPolarHBondContact SG-CE2 3.43Å; C299-N302 HydrophobicContact CB-CB 4.14Å; C299-N302 VanDerWaalsContact O-CB 3.3Å; C299-N302 WeakPolarHBondContact O-CB 3.19Å; C299-N302 PolarHBondContact O-N 3.29Å
300S94.6Very high97.5Very high103 Ų10342.5 Ų42.572%0.7223%0.227SC*.THydrogen-bonded Turntrans-63.8-31.8-175.855.70000114.3D298D298-S300 PolarHBondContact O-N 2.88Å
301Y94.2Very high97.7Very high94 Ų9439.9 Ų39.937%0.36920%0.198SC..THydrogen-bonded Turntrans-100.518.9-178.351.9-96.7000112.5P280 T281 C282 C299 L303P280-Y301 HydrophobicContact CB-CD1 4.19Å; P280-Y301 HydrophobicContact CB-CD2 3.89Å; P280-Y301 HydrophobicContact CB-CE1 4.19Å; P280-Y301 HydrophobicContact CB-CE2 3.86Å; P280-Y301 HydrophobicContact CB-CG 4.04Å; P280-Y301 HydrophobicContact CG-CD1 4.44Å; P280-Y301 HydrophobicContact CG-CG 4.34Å; P280-Y301 WeakPolarHBondContact O-CD2 3.38Å; P280-Y301 WeakPolarHBondContact O-CE2 2.96Å; T281-Y301 VanDerWaalsContact O-CE2 3.22Å; T281-Y301 WeakPolarHBondContact O-CE2 3.35Å; T281-Y301 PolarHBondContact O-OH 2.84Å; C282-Y301 VanDerWaalsContact CA-CE2 3.46Å; C282-Y301 HydrophobicContact CB-CE2 4.02Å; C282-Y301 WeakPolarHBondContact SG-CE2 3.41Å; C299-Y301 VanDerWaalsContact C-N 3.31Å; C299-Y301 PolarHBondContact O-N 2.78Å; C299-Y301 VanDerWaalsContact SG-CD2 3.51Å; C299-Y301 WeakPolarHBondContact SG-CE2 3.43Å; Y301-L303 PolarHBondContact O-N 3.46Å; Y301-L303 VanDerWaalsContact O-N 3.16Å
302N98Very high97.7Very high13 Ų1339.7 Ų39.77%0.0720%0.197CC..  trans-62116.7174.8-171.5-13.5000111.2C282 F296 C299 A304 N305C282-N302 VanDerWaalsContact SG-CA 3.51Å; F296-N302 WeakPolarHBondContact CD2-ND2 3.41Å; F296-N302 WeakPolarHBondContact CE1-ND2 3.35Å; F296-N302 VanDerWaalsContact CE2-ND2 3.29Å; F296-N302 WeakPolarHBondContact CE2-ND2 3.4Å; F296-N302 VanDerWaalsContact CZ-ND2 3.3Å; F296-N302 WeakPolarHBondContact CZ-ND2 3.09Å; F296-N302 PolarHBondContact O-ND2 2.89Å; C299-N302 HydrophobicContact CB-CB 4.14Å; C299-N302 VanDerWaalsContact O-CB 3.3Å; C299-N302 WeakPolarHBondContact O-CB 3.19Å; C299-N302 PolarHBondContact O-N 3.29Å; N302-A304 PolarHBondContact O-N 3.17Å; N302-A304 VanDerWaalsContact OD1-CB 3.24Å; N302-A304 WeakPolarHBondContact OD1-CB 3.34Å; N302-A304 PolarHBondContact OD1-N 3.19Å; N302-N305 WeakPolarHBondContact O-CB 3.38Å; N302-N305 PolarHBondContact O-N 2.82Å
303L98.3Very high97.9Very high38 Ų3837.6 Ų37.620%0.19918%0.183CC..THydrogen-bonded Turntrans-64.1-9.5178-69.4-178.7000114.3L279 Y301 N305 R307 R310L279-L303 HydrophobicContact CD1-CD1 4.31Å; L279-L303 HydrophobicContact CD1-CD2 3.87Å; L279-L303 HydrophobicContact CD2-CD1 4.09Å; L279-L303 HydrophobicContact CG-CD2 4.38Å; Y301-L303 PolarHBondContact O-N 3.46Å; Y301-L303 VanDerWaalsContact O-N 3.16Å; L303-N305 VanDerWaalsContact C-N 3.26Å; L303-R307 PolarHBondContact O-NH2 2.95Å; L303-R310 VanDerWaalsContact O-CZ 3.27Å; L303-R310 PolarHBondContact O-NH1 3.31Å; L303-R310 PolarHBondContact O-NH2 3.02Å
304A98.6Very high98Very high0 Ų037.8 Ų37.80%018%0.184CC..THydrogen-bonded Turntrans-65.8-30.1168.200000112R248 Y249 E252 F296 N302 N306 N399R248-A304 PolarHBondContact NH2-O 3.1Å; Y249-A304 HydrophobicContact CD2-CB 3.82Å; Y249-A304 HydrophobicContact CE2-CB 3.52Å; E252-A304 HydrophobicContact CG-CB 4.28Å; E252-A304 WeakPolarHBondContact OE1-CA 3.4Å; E252-A304 WeakPolarHBondContact OE1-CB 3.31Å; F296-A304 HydrophobicContact CE1-CB 3.72Å; F296-A304 HydrophobicContact CZ-CB 3.52Å; N302-A304 PolarHBondContact O-N 3.17Å; N302-A304 VanDerWaalsContact OD1-CB 3.24Å; N302-A304 WeakPolarHBondContact OD1-CB 3.34Å; N302-A304 PolarHBondContact OD1-N 3.19Å; A304-N306 PolarHBondContact O-N 2.9Å; A304-N399 PolarHBondContact O-OD1 3.18Å
305N98.6Very high98Very high23 Ų2328.7 Ų28.712%0.12315%0.15CC..THydrogen-bonded Turntrans-64.9128.5178.9-62.1-17.3000110Y249 N302 L303 R307 R310Y249-N305 VanDerWaalsContact CE2-OD1 3.31Å; Y249-N305 WeakPolarHBondContact CE2-OD1 3.36Å; Y249-N305 PolarHBondContact OH-OD1 2.96Å; N302-N305 WeakPolarHBondContact O-CB 3.38Å; N302-N305 PolarHBondContact O-N 2.82Å; L303-N305 VanDerWaalsContact C-N 3.26Å; N305-R307 PolarHBondContact O-N 2.9Å; N305-R310 PolarHBondContact O-NH1 3.13Å; N305-R310 VanDerWaalsContact O-NH1 3.12Å
306N98.8Very high98.1Very high23 Ų2325.5 Ų25.512%0.12314%0.139CC..THydrogen-bonded Turntrans47.637.4178.4-64.6-51.9000113.8A304 Q308 V309 R310 L398 N399 F400 L401 D402A304-N306 PolarHBondContact O-N 2.9Å; N306-Q308 PolarHBondContact O-N 3.11Å; N306-V309 PolarHBondContact O-N 2.96Å; N306-R310 WeakPolarHBondContact O-CB 3.37Å; N306-R310 PolarHBondContact O-N 3.16Å; N306-L398 PolarHBondContact ND2-O 2.7Å; N306-N399 PolarHBondContact N-OD1 3.14Å; N306-N399 WeakPolarHBondContact OD1-CA 3.38Å; N306-N399 PolarHBondContact OD1-O 3.28Å; N306-F400 PolarHBondContact OD1-N 3.48Å; N306-L401 HydrophobicContact CB-CB 4.23Å; N306-L401 HydrophobicContact CB-CD1 4.31Å; N306-L401 WeakPolarHBondContact OD1-CA 3.31Å; N306-L401 WeakPolarHBondContact OD1-CB 3.22Å; N306-L401 PolarHBondContact OD1-N 3.03Å; N306-D402 VanDerWaalsContact CA-OD1 3.29Å; N306-D402 WeakPolarHBondContact CA-OD1 3.3Å; N306-D402 PolarHBondContact OD1-N 2.94Å; N306-D402 VanDerWaalsContact OD1-N 3.13Å
307R98.9Very high98.1Very high9 Ų929.6 Ų29.63%0.03416%0.161CC..Hα-helixtrans-60.9-42.3-173.7178.5178.2-73.3-72.8-2.6112I151 Q152 E252 L303 N305 M311 D402I151-R307 HydrophobicContact CG2-CG 4.03Å; Q152-R307 VanDerWaalsContact CD-NH1 3.25Å; E252-R307 VanDerWaalsContact CD-NE 3.34Å; E252-R307 IonicContact OE1-CZ 2.68Å; E252-R307 VanDerWaalsContact OE1-CZ 3.31Å; E252-R307 IonicContact OE1-NE 3.63Å; E252-R307 PolarHBondContact OE1-NE 2.72Å; E252-R307 VanDerWaalsContact OE1-NE 3.11Å; E252-R307 IonicContact OE1-NH2 2.71Å; E252-R307 PolarHBondContact OE1-NH2 2.89Å; E252-R307 WeakPolarHBondContact OE2-CD 3.48Å; E252-R307 IonicContact OE2-CZ 3.49Å; E252-R307 IonicContact OE2-NE 3.45Å; E252-R307 PolarHBondContact OE2-NE 3.33Å; E252-R307 IonicContact OE2-NH2 3.49Å; L303-R307 PolarHBondContact O-NH2 2.95Å; N305-R307 PolarHBondContact O-N 2.9Å; R307-M311 HydrophobicContact CG-CG 4.14Å; R307-M311 HydrophobicContact CG-SD 3.58Å; R307-M311 VanDerWaalsContact CG-SD 3.58Å; R307-M311 VanDerWaalsContact O-CB 3.3Å; R307-M311 WeakPolarHBondContact O-CB 3.05Å; R307-M311 VanDerWaalsContact O-CG 3.27Å; R307-M311 WeakPolarHBondContact O-CG 3.46Å; R307-M311 PolarHBondContact O-N 2.82Å; R307-D402 PolarHBondContact N-OD2 3.07Å
308Q98.9Very high98.1Very high1 Ų128.9 Ų28.91%0.00516%0.157CC..Hα-helixtrans-67.6-43.7-175.6-64.5175.3111.700111I151 L242 R243 N306 M311 L312 D402 L405I151-Q308 HydrophobicContact CD1-CB 4.37Å; I151-Q308 HydrophobicContact CD1-CG 4.33Å; I151-Q308 HydrophobicContact CG2-CG 4.12Å; L242-Q308 HydrophobicContact CD2-CB 4.19Å; L242-Q308 HydrophobicContact CD2-CG 4.14Å; L242-Q308 VanDerWaalsContact CD2-OE1 3.3Å; R243-Q308 PolarHBondContact O-NE2 2.04Å; R243-Q308 PolarHBondContact O-OE1 3.14Å; N306-Q308 PolarHBondContact O-N 3.11Å; Q308-M311 PolarHBondContact O-N 2.97Å; Q308-L312 WeakPolarHBondContact O-CB 3.18Å; Q308-L312 WeakPolarHBondContact O-CD1 3.39Å; Q308-L312 VanDerWaalsContact O-CG 3.29Å; Q308-L312 WeakPolarHBondContact O-CG 3.42Å; Q308-L312 PolarHBondContact O-N 3.48Å; Q308-L312 VanDerWaalsContact O-N 3.11Å; Q308-D402 WeakPolarHBondContact CB-OD2 3.34Å; Q308-D402 WeakPolarHBondContact CG-OD2 3.47Å; Q308-D402 PolarHBondContact N-OD1 3.26Å; Q308-D402 PolarHBondContact N-OD2 3.09Å; Q308-D402 PolarHBondContact NE2-OD2 2.82Å; Q308-L405 HydrophobicContact CB-CD2 4.04Å
309V98.9Very high98.1Very high1 Ų124.8 Ų24.81%0.00614%0.138CC..Hα-helixtrans-61.6-52.3174.6168.50000110.7N306 M311 L312 A313 L335 L336 A339 L401 D402 L405N306-V309 PolarHBondContact O-N 2.96Å; V309-M311 VanDerWaalsContact C-N 3.28Å; V309-M311 PolarHBondContact O-N 3.4Å; V309-L312 PolarHBondContact O-N 2.89Å; V309-L312 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.31Å; V309-A313 WeakPolarHBondContact O-CB 3.31Å; V309-A313 PolarHBondContact O-N 3.45Å; V309-L335 HydrophobicContact CG1-CB 3.86Å; V309-L336 HydrophobicContact CG2-CD1 4.17Å; V309-A339 HydrophobicContact CB-CB 4.4Å; V309-A339 HydrophobicContact CG1-CB 4.12Å; V309-A339 HydrophobicContact CG2-CB 4.42Å; V309-L401 HydrophobicContact CB-CB 4.16Å; V309-L401 HydrophobicContact CG1-CB 4.17Å; V309-L401 HydrophobicContact CG1-CD1 4.26Å; V309-L401 HydrophobicContact CG2-CB 3.81Å; V309-L401 WeakPolarHBondContact CG2-O 3.23Å; V309-D402 PolarHBondContact N-OD1 3.26Å; V309-L405 HydrophobicContact CB-CD2 4.41Å; V309-L405 HydrophobicContact CG2-CB 3.57Å; V309-L405 HydrophobicContact CG2-CD2 3.54Å; V309-L405 HydrophobicContact CG2-CG 4.12Å
310R98.8Very high98.1Very high22 Ų2224.4 Ų24.48%0.08314%0.136CC..Hα-helixtrans-57.3-42.2-179.7-172.9-175.565.8-109.4-2.7112L303 N305 N306 L312 L315L303-R310 VanDerWaalsContact O-CZ 3.27Å; L303-R310 PolarHBondContact O-NH1 3.31Å; L303-R310 PolarHBondContact O-NH2 3.02Å; N305-R310 PolarHBondContact O-NH1 3.13Å; N305-R310 VanDerWaalsContact O-NH1 3.12Å; N306-R310 WeakPolarHBondContact O-CB 3.37Å; N306-R310 PolarHBondContact O-N 3.16Å; R310-L312 VanDerWaalsContact C-N 3.32Å; R310-L312 PolarHBondContact O-N 3.35Å; R310-L315 HydrophobicContact CG-CD1 4.22Å; R310-L315 HydrophobicContact CG-CD2 3.93Å
311M98.9Very high98.2Very high5 Ų520.1 Ų20.13%0.02510%0.104CC..Hα-helixtrans-80-11.2-176.9-68.9-175.269.200114.5I151 Q152 H207 D209 W210 R307 Q308 V309I151-M311 HydrophobicContact CB-SD 4.42Å; I151-M311 HydrophobicContact CD1-CB 4.48Å; I151-M311 HydrophobicContact CG1-CB 4.25Å; I151-M311 HydrophobicContact CG1-CE 4.39Å; I151-M311 HydrophobicContact CG1-SD 4.41Å; I151-M311 HydrophobicContact CG2-SD 3.9Å; Q152-M311 PolarHBondContact OE1-SD 3.27Å; H207-M311 HydrophobicContact CB-CE 4.34Å; H207-M311 WeakPolarHBondContact O-CE 3.45Å; D209-M311 HydrophobicContact CB-CB 3.85Å; D209-M311 HydrophobicContact CB-CE 4.12Å; D209-M311 HydrophobicContact CB-CG 3.98Å; D209-M311 WeakPolarHBondContact CB-O 3.36Å; W210-M311 WeakPolarHBondContact CB-O 3.47Å; W210-M311 PolarHBondContact N-O 3.43Å; R307-M311 HydrophobicContact CG-CG 4.14Å; R307-M311 HydrophobicContact CG-SD 3.58Å; R307-M311 VanDerWaalsContact CG-SD 3.58Å; R307-M311 VanDerWaalsContact O-CB 3.3Å; R307-M311 WeakPolarHBondContact O-CB 3.05Å; R307-M311 VanDerWaalsContact O-CG 3.27Å; R307-M311 WeakPolarHBondContact O-CG 3.46Å; R307-M311 PolarHBondContact O-N 2.82Å; Q308-M311 PolarHBondContact O-N 2.97Å; V309-M311 VanDerWaalsContact C-N 3.28Å; V309-M311 PolarHBondContact O-N 3.4Å
312L98.9Very high98.3Very high0 Ų018.2 Ų18.20%010%0.1CC..Hα-helixtrans-104.9-21.9177-73.2172.1000113.2L149 I151 T240 L242 Q308 V309 R310 A339 N342 L343 M346 L405L149-L312 HydrophobicContact CD1-CD2 4.12Å; I151-L312 HydrophobicContact CD1-CD1 4.17Å; I151-L312 HydrophobicContact CD1-CD2 4.33Å; I151-L312 HydrophobicContact CD1-CG 3.98Å; T240-L312 HydrophobicContact CG2-CD2 4.19Å; L242-L312 HydrophobicContact CD2-CD1 3.88Å; Q308-L312 WeakPolarHBondContact O-CB 3.18Å; Q308-L312 WeakPolarHBondContact O-CD1 3.39Å; Q308-L312 VanDerWaalsContact O-CG 3.29Å; Q308-L312 WeakPolarHBondContact O-CG 3.42Å; Q308-L312 PolarHBondContact O-N 3.48Å; Q308-L312 VanDerWaalsContact O-N 3.11Å; V309-L312 PolarHBondContact O-N 2.89Å; V309-L312 VanDerWaalsContact O-N 3.14Å; R310-L312 VanDerWaalsContact C-N 3.32Å; R310-L312 PolarHBondContact O-N 3.35Å; L312-A339 HydrophobicContact CB-CB 3.92Å; L312-N342 WeakPolarHBondContact O-CB 3.39Å; L312-N342 PolarHBondContact O-ND2 2.87Å; L312-L343 HydrophobicContact CD1-CB 4.4Å; L312-L343 HydrophobicContact CD1-CD1 4.11Å; L312-M346 HydrophobicContact CD2-CE 3.49Å; L312-M346 VanDerWaalsContact CD2-CE 3.49Å; L312-M346 HydrophobicContact CD2-SD 4.46Å; L312-L405 HydrophobicContact CD1-CD2 3.87Å
313A98.9Very high98.1Very high0 Ų023.1 Ų23.10%013%0.126CC..SBendtrans-73.4154.6176.400000111.6T211 V309 L315 L335 A339T211-A313 PolarHBondContact OG1-O 3.41Å; T211-A313 VanDerWaalsContact OG1-O 3.11Å; V309-A313 VanDerWaalsContact O-CB 3.31Å; V309-A313 WeakPolarHBondContact O-CB 3.31Å; V309-A313 PolarHBondContact O-N 3.45Å; A313-L315 HydrophobicContact CB-CD2 4.41Å; A313-L315 PolarHBondContact O-N 3.38Å; A313-L335 HydrophobicContact CB-CD2 3.64Å; A313-A339 HydrophobicContact CB-CB 4.32Å
314D98.7Very high97.9Very high31 Ų3127.1 Ų27.117%0.16615%0.152CC..  trans-75.6109.5158.3-170.2-16.7000109.1W210 S316 L317 S338W210-D314 HydrophobicContact CE3-CB 3.86Å; W210-D314 HydrophobicContact CH2-CB 3.86Å; W210-D314 HydrophobicContact CZ3-CB 3.24Å; D314-S316 VanDerWaalsContact C-N 3.31Å; D314-S316 VanDerWaalsContact CG-OG 3.26Å; D314-S316 WeakPolarHBondContact OD1-CB 2.99Å; D314-S316 PolarHBondContact OD1-N 3.17Å; D314-S316 PolarHBondContact OD1-OG 3.02Å; D314-S316 PolarHBondContact OD2-OG 3.09Å; D314-L317 HydrophobicContact CB-CD1 3.83Å; D314-L317 HydrophobicContact CB-CG 3.88Å; D314-S338 PolarHBondContact N-OG 3.12Å
315L98.6Very high97.8Very high1 Ų132.9 Ų32.91%0.00518%0.178CC..SBendtrans-76.6-19.2-177.8-60.6-176.4000112.5T211 R310 A313 L317 V318 C320 Y321 L335T211-L315 HydrophobicContact CG2-CB 4.47Å; T211-L315 PolarHBondContact OG1-N 2.91Å; R310-L315 HydrophobicContact CG-CD1 4.22Å; R310-L315 HydrophobicContact CG-CD2 3.93Å; A313-L315 HydrophobicContact CB-CD2 4.41Å; A313-L315 PolarHBondContact O-N 3.38Å; L315-L317 PolarHBondContact O-N 2.83Å; L315-V318 WeakPolarHBondContact O-CG2 3.41Å; L315-V318 PolarHBondContact O-N 2.93Å; L315-V318 VanDerWaalsContact O-N 3.15Å; L315-C320 VanDerWaalsContact O-CA 3.27Å; L315-C320 WeakPolarHBondContact O-CA 3Å; L315-C320 PolarHBondContact O-N 2.82Å; L315-Y321 HydrophobicContact CD1-CE1 4.23Å; L315-Y321 HydrophobicContact CD1-CE2 4.11Å; L315-L335 HydrophobicContact CD2-CD2 3.65Å
316S98.2Very high97.7Very high41 Ų4133.3 Ų33.329%0.28718%0.179SC..G310 helixtrans-62.3-31.3176.970.30000111.6D270 D314 V318 G319D270-S316 VanDerWaalsContact OD1-CB 3.24Å; D270-S316 WeakPolarHBondContact OD1-CB 3.43Å; D314-S316 VanDerWaalsContact C-N 3.31Å; D314-S316 VanDerWaalsContact CG-OG 3.26Å; D314-S316 WeakPolarHBondContact OD1-CB 2.99Å; D314-S316 PolarHBondContact OD1-N 3.17Å; D314-S316 PolarHBondContact OD1-OG 3.02Å; D314-S316 PolarHBondContact OD2-OG 3.09Å; S316-V318 PolarHBondContact O-N 3Å; S316-G319 PolarHBondContact O-N 3.24Å
317L98.3Very high97.6Very high87 Ų8738.1 Ų38.146%0.45521%0.205SC..G310 helixtrans-61.6-18.6178-59179.1000113.9D314 L315 I334D314-L317 HydrophobicContact CB-CD1 3.83Å; D314-L317 HydrophobicContact CB-CG 3.88Å; L315-L317 PolarHBondContact O-N 2.83Å; L317-I334 HydrophobicContact CB-CG2 3.68Å; L317-I334 HydrophobicContact CD1-CG2 4.2Å
318V98.1Very high97.5Very high0 Ų044.1 Ų44.10%023%0.233CC..G310 helixtrans-12321.9-176.5-60.20000113.2L315 S316 C320 F325 M326 R331 I334 L335L315-V318 WeakPolarHBondContact O-CG2 3.41Å; L315-V318 PolarHBondContact O-N 2.93Å; L315-V318 VanDerWaalsContact O-N 3.15Å; S316-V318 PolarHBondContact O-N 3Å; V318-C320 VanDerWaalsContact C-N 3.34Å; V318-F325 VanDerWaalsContact C-CD1 3.43Å; V318-F325 WeakPolarHBondContact O-CD1 3.17Å; V318-M326 HydrophobicContact CB-CE 4.36Å; V318-M326 HydrophobicContact CB-SD 4.05Å; V318-M326 HydrophobicContact CG1-CE 4.33Å; V318-M326 HydrophobicContact CG1-SD 3.91Å; V318-R331 HydrophobicContact CB-CG 3.98Å; V318-R331 HydrophobicContact CG1-CG 4.05Å; V318-R331 HydrophobicContact CG2-CG 4.34Å; V318-I334 HydrophobicContact CG1-CB 3.77Å; V318-I334 HydrophobicContact CG1-CD1 4.37Å; V318-I334 HydrophobicContact CG1-CG2 3.51Å; V318-L335 HydrophobicContact CG1-CD2 4.33Å; V318-L335 HydrophobicContact CG1-CG 4.18Å; V318-L335 HydrophobicContact CG2-CD2 3.8Å; V318-L335 HydrophobicContact CG2-CG 4.25Å
319G97.2Very high97.4Very high14 Ų1448.5 Ų48.514%0.14426%0.264CS..THydrogen-bonded Turntrans69.632.9-178.300000112.9S316 Y321 N322S316-G319 PolarHBondContact O-N 3.24Å; G319-Y321 PolarHBondContact O-N 3.45Å; G319-N322 WeakPolarHBondContact O-CB 3.31Å; G319-N322 PolarHBondContact O-N 2.74Å
320C97.6Very high97.3Very high6 Ų653.4 Ų53.44%0.04129%0.287CS..THydrogen-bonded Turntrans58.1-118.1179.6-60.90000112.9C269 D270 L315 V318C269-C320 VanDerWaalsContact C-SG 3.58Å; C269-C320 HydrophobicContact CB-CB 3.57Å; C269-C320 WeakPolarHBondContact CB-SG 3.07Å; C269-C320 VanDerWaalsContact SG-CA 3.53Å; C269-C320 WeakPolarHBondContact SG-CB 3.33Å; C269-C320 CovalentContact SG-SG 2.03Å; C269-C320 PolarHBondContact SG-SG 2.88Å; D270-C320 VanDerWaalsContact CG-SG 3.53Å; D270-C320 PolarHBondContact OD2-SG 3.47Å; D270-C320 VanDerWaalsContact OD2-SG 3.42Å; L315-C320 VanDerWaalsContact O-CA 3.27Å; L315-C320 WeakPolarHBondContact O-CA 3Å; L315-C320 PolarHBondContact O-N 2.82Å; V318-C320 VanDerWaalsContact C-N 3.34Å
321Y96.9Very high97.3Very high13 Ų1354 Ų545%0.05129%0.289CS..THydrogen-bonded Turntrans-98.21.6179.7-64-82.2000112.7H267 C269 P274 L279 L315 G319 L323H267-Y321 HydrophobicContact CB-CE2 3.74Å; H267-Y321 WeakPolarHBondContact CB-OH 3.4Å; H267-Y321 PolarHBondContact ND1-OH 2.75Å; H267-Y321 VanDerWaalsContact O-CE2 3.3Å; H267-Y321 WeakPolarHBondContact O-CE2 2.97Å; C269-Y321 HydrophobicContact CB-CE2 4.42Å; P274-Y321 HydrophobicContact CB-CD2 3.86Å; P274-Y321 HydrophobicContact CB-CG 4.01Å; P274-Y321 HydrophobicContact CG-CD2 3.9Å; P274-Y321 HydrophobicContact CG-CE2 4.23Å; P274-Y321 HydrophobicContact CG-CG 4.27Å; L279-Y321 HydrophobicContact CD1-CD1 3.57Å; L279-Y321 HydrophobicContact CD1-CE1 3.63Å; L279-Y321 HydrophobicContact CD1-CG 4.23Å; L315-Y321 HydrophobicContact CD1-CE1 4.23Å; L315-Y321 HydrophobicContact CD1-CE2 4.11Å; G319-Y321 PolarHBondContact O-N 3.45Å; Y321-L323 PolarHBondContact O-N 2.84Å; Y321-L323 VanDerWaalsContact O-N 3.07Å
322N96.1Very high97.3Very high55 Ų5554.7 Ų54.729%0.29429%0.293SS..  trans-76.797174.5-178.34.4000110.4G319 T324 F325G319-N322 WeakPolarHBondContact O-CB 3.31Å; G319-N322 PolarHBondContact O-N 2.74Å; N322-T324 PolarHBondContact O-N 3.2Å; N322-T324 PolarHBondContact OD1-N 2.88Å; N322-T324 PolarHBondContact OD1-OG1 3.34Å; N322-F325 HydrophobicContact CB-CB 4.48Å; N322-F325 VanDerWaalsContact O-CB 3.31Å; N322-F325 WeakPolarHBondContact O-CB 2.98Å; N322-F325 PolarHBondContact O-N 2.8Å
323L94Very high97.3Very high115 Ų11558.5 Ų58.560%0.60232%0.316SS*.THydrogen-bonded Turntrans-66.5-15.6-179.8-59.2-179.2000113.8Y321 F325Y321-L323 PolarHBondContact O-N 2.84Å; Y321-L323 VanDerWaalsContact O-N 3.07Å; L323-F325 VanDerWaalsContact C-N 3.34Å
324T95.1Very high97.2Very high123 Ų12360.7 Ų60.776%0.75533%0.328SS*.THydrogen-bonded Turntrans-85.6-7.7178.368.60000113.5N322 M326N322-T324 PolarHBondContact O-N 3.2Å; N322-T324 PolarHBondContact OD1-N 2.88Å; N322-T324 PolarHBondContact OD1-OG1 3.34Å; T324-M326 VanDerWaalsContact C-N 3.29Å; T324-M326 PolarHBondContact O-N 3.01Å
325F95.4Very high97.3Very high121 Ų12159.4 Ų59.453%0.53132%0.321SS..SBendtrans-63-33.9-176.8179.1-108.1000113.2V318 N322 L323V318-F325 VanDerWaalsContact C-CD1 3.43Å; V318-F325 WeakPolarHBondContact O-CD1 3.17Å; N322-F325 HydrophobicContact CB-CB 4.48Å; N322-F325 VanDerWaalsContact O-CB 3.31Å; N322-F325 WeakPolarHBondContact O-CB 2.98Å; N322-F325 PolarHBondContact O-N 2.8Å; L323-F325 VanDerWaalsContact C-N 3.34Å
326M96.6Very high97.3Very high31 Ų3159.9 Ų59.915%0.15332%0.323CS..SBendtrans-155.7168.1179.660.2171.658.300111.2V318 T324 E330 R331 I334V318-M326 HydrophobicContact CB-CE 4.36Å; V318-M326 HydrophobicContact CB-SD 4.05Å; V318-M326 HydrophobicContact CG1-CE 4.33Å; V318-M326 HydrophobicContact CG1-SD 3.91Å; T324-M326 VanDerWaalsContact C-N 3.29Å; T324-M326 PolarHBondContact O-N 3.01Å; M326-E330 HydrophobicContact SD-CG 4.2Å; M326-R331 HydrophobicContact CG-CB 3.93Å; M326-R331 VanDerWaalsContact SD-CA 3.5Å; M326-R331 HydrophobicContact SD-CB 3.74Å; M326-R331 HydrophobicContact SD-CG 4.4Å; M326-I334 HydrophobicContact CE-CD1 3.78Å; M326-I334 HydrophobicContact SD-CD1 3.84Å
327N97.2Very high97.3Very high124 Ų12463.2 Ų63.266%0.66333%0.334SS*.  trans-65.4147.1177.9-67.6-31.5000111.7S329 E330 R331N327-S329 VanDerWaalsContact C-N 3.32Å; N327-S329 PolarHBondContact O-N 2.88Å; N327-E330 PolarHBondContact O-N 3.12Å; N327-R331 WeakPolarHBondContact O-CB 3.49Å; N327-R331 PolarHBondContact O-N 3.19Å
328E96.1Very high97.3Very high136 Ų13659.6 Ų59.664%0.63632%0.316SS*.Hα-helixtrans-59.7-40.9-176.2-156.6-160.214100112.6E330 R331 N332E328-E330 PolarHBondContact O-N 3.41Å; E328-R331 WeakPolarHBondContact O-CB 3.22Å; E328-R331 PolarHBondContact O-N 3.07Å; E328-N332 WeakPolarHBondContact O-CB 3.2Å; E328-N332 PolarHBondContact O-N 2.96Å; E328-N332 PolarHBondContact O-ND2 2.03Å; E328-N332 VanDerWaalsContact O-ND2 3.1Å; E328-N332 PolarHBondContact OE1-ND2 3.32Å
329S96.6Very high97.4Very high93 Ų9359.6 Ų59.665%0.6532%0.316SS*.Hα-helixtrans-62.1-42.3179.3-178.10000112.7N327 T333N327-S329 VanDerWaalsContact C-N 3.32Å; N327-S329 PolarHBondContact O-N 2.88Å; S329-T333 PolarHBondContact O-N 2.64Å; S329-T333 VanDerWaalsContact O-N 3.15Å; S329-T333 PolarHBondContact O-OG1 2.04Å
330E97.8Very high97.4Very high104 Ų10460.2 Ų60.249%0.48632%0.315SS..Hα-helixtrans-67.1-48.2176.5-176.7176.1-170.600110.5M326 N327 E328 N332 T333 I334M326-E330 HydrophobicContact SD-CG 4.2Å; N327-E330 PolarHBondContact O-N 3.12Å; E328-E330 PolarHBondContact O-N 3.41Å; E330-N332 VanDerWaalsContact C-N 3.33Å; E330-N332 PolarHBondContact O-N 3.12Å; E330-T333 WeakPolarHBondContact O-CB 3.24Å; E330-T333 PolarHBondContact O-N 3.21Å; E330-T333 VanDerWaalsContact O-N 3.15Å; E330-I334 HydrophobicContact CG-CD1 3.95Å; E330-I334 WeakPolarHBondContact O-CG1 3.48Å; E330-I334 PolarHBondContact O-N 3.02Å
331R98.3Very high97.5Very high34 Ų3463.7 Ų63.713%0.12833%0.333CS..Hα-helixtrans-53.7-49.2175.4-178.7170-172-80.5-1.7112.2V318 M326 N327 E328 T333 I334 L335V318-R331 HydrophobicContact CB-CG 3.98Å; V318-R331 HydrophobicContact CG1-CG 4.05Å; V318-R331 HydrophobicContact CG2-CG 4.34Å; M326-R331 HydrophobicContact CG-CB 3.93Å; M326-R331 VanDerWaalsContact SD-CA 3.5Å; M326-R331 HydrophobicContact SD-CB 3.74Å; M326-R331 HydrophobicContact SD-CG 4.4Å; N327-R331 WeakPolarHBondContact O-CB 3.49Å; N327-R331 PolarHBondContact O-N 3.19Å; E328-R331 WeakPolarHBondContact O-CB 3.22Å; E328-R331 PolarHBondContact O-N 3.07Å; R331-T333 VanDerWaalsContact C-N 3.3Å; R331-T333 PolarHBondContact O-N 3.05Å; R331-I334 PolarHBondContact O-N 3.36Å; R331-L335 HydrophobicContact CG-CD1 3.95Å; R331-L335 HydrophobicContact CG-CG 4.36Å; R331-L335 WeakPolarHBondContact O-CB 3.09Å; R331-L335 VanDerWaalsContact O-CG 3.28Å; R331-L335 WeakPolarHBondContact O-CG 3.21Å; R331-L335 PolarHBondContact O-N 3.26Å
332N98.4Very high97.6Very high20 Ų2063.9 Ų63.911%0.10734%0.335CS..Hα-helixtrans-61-40.4-179.1-74.3-18.4000111.4E328 E330 L336 F400 L401E328-N332 WeakPolarHBondContact O-CB 3.2Å; E328-N332 PolarHBondContact O-N 2.96Å; E328-N332 PolarHBondContact O-ND2 2.03Å; E328-N332 VanDerWaalsContact O-ND2 3.1Å; E328-N332 PolarHBondContact OE1-ND2 3.32Å; E330-N332 VanDerWaalsContact C-N 3.33Å; E330-N332 PolarHBondContact O-N 3.12Å; N332-L336 WeakPolarHBondContact O-CB 3.3Å; N332-L336 PolarHBondContact O-N 3.25Å; N332-L336 VanDerWaalsContact O-N 3.09Å; N332-F400 HydrophobicContact CB-CZ 4.34Å; N332-F400 WeakPolarHBondContact ND2-CZ 3.39Å; N332-L401 HydrophobicContact CB-CD1 4.25Å; N332-L401 HydrophobicContact CB-CD2 4.01Å
333T98.6Very high97.7Very high80 Ų8061.3 Ų61.349%0.49132%0.321SS..Hα-helixtrans-65.4-48.6176.4-58.10000111.4S329 E330 R331 L335 L336 Q337S329-T333 PolarHBondContact O-N 2.64Å; S329-T333 VanDerWaalsContact O-N 3.15Å; S329-T333 PolarHBondContact O-OG1 2.04Å; E330-T333 WeakPolarHBondContact O-CB 3.24Å; E330-T333 PolarHBondContact O-N 3.21Å; E330-T333 VanDerWaalsContact O-N 3.15Å; R331-T333 VanDerWaalsContact C-N 3.3Å; R331-T333 PolarHBondContact O-N 3.05Å; T333-L335 PolarHBondContact O-N 3.36Å; T333-L336 PolarHBondContact O-N 2.94Å; T333-Q337 VanDerWaalsContact O-CG 3.32Å; T333-Q337 WeakPolarHBondContact O-CG 3.44Å; T333-Q337 PolarHBondContact O-N 3.39Å
334I98.8Very high97.9Very high46 Ų4658 Ų5824%0.23630%0.302CS..Hα-helixtrans-61.8-46.6179.8-66.9168.2000110.8L317 V318 M326 E330 R331 L336 Q337 S338L317-I334 HydrophobicContact CB-CG2 3.68Å; L317-I334 HydrophobicContact CD1-CG2 4.2Å; V318-I334 HydrophobicContact CG1-CB 3.77Å; V318-I334 HydrophobicContact CG1-CD1 4.37Å; V318-I334 HydrophobicContact CG1-CG2 3.51Å; M326-I334 HydrophobicContact CE-CD1 3.78Å; M326-I334 HydrophobicContact SD-CD1 3.84Å; E330-I334 HydrophobicContact CG-CD1 3.95Å; E330-I334 WeakPolarHBondContact O-CG1 3.48Å; E330-I334 PolarHBondContact O-N 3.02Å; R331-I334 PolarHBondContact O-N 3.36Å; I334-L336 PolarHBondContact O-N 3.33Å; I334-Q337 PolarHBondContact O-N 3.08Å; I334-S338 WeakPolarHBondContact O-CB 3.03Å; I334-S338 PolarHBondContact O-N 2.92Å
335L98.8Very high98.1Very high4 Ų456.3 Ų56.32%0.02129%0.288CS..Hα-helixtrans-59.3-47.5178.7-75.4176.5000112.1V309 A313 L315 V318 R331 T333 S338 A339V309-L335 HydrophobicContact CG1-CB 3.86Å; A313-L335 HydrophobicContact CB-CD2 3.64Å; L315-L335 HydrophobicContact CD2-CD2 3.65Å; V318-L335 HydrophobicContact CG1-CD2 4.33Å; V318-L335 HydrophobicContact CG1-CG 4.18Å; V318-L335 HydrophobicContact CG2-CD2 3.8Å; V318-L335 HydrophobicContact CG2-CG 4.25Å; R331-L335 HydrophobicContact CG-CD1 3.95Å; R331-L335 HydrophobicContact CG-CG 4.36Å; R331-L335 WeakPolarHBondContact O-CB 3.09Å; R331-L335 VanDerWaalsContact O-CG 3.28Å; R331-L335 WeakPolarHBondContact O-CG 3.21Å; R331-L335 PolarHBondContact O-N 3.26Å; T333-L335 PolarHBondContact O-N 3.36Å; L335-S338 PolarHBondContact O-N 2.87Å; L335-A339 VanDerWaalsContact O-CB 3.3Å; L335-A339 WeakPolarHBondContact O-CB 3.27Å; L335-A339 PolarHBondContact O-N 3.08Å
336L98.9Very high98.3Very high10 Ų1050.9 Ų50.95%0.05227%0.265CS..Hα-helixtrans-64-44.4-179.6-178.560.5000111.7V309 N332 T333 I334 A339 K340 L401 Q404 L405V309-L336 HydrophobicContact CG2-CD1 4.17Å; N332-L336 WeakPolarHBondContact O-CB 3.3Å; N332-L336 PolarHBondContact O-N 3.25Å; N332-L336 VanDerWaalsContact O-N 3.09Å; T333-L336 PolarHBondContact O-N 2.94Å; I334-L336 PolarHBondContact O-N 3.33Å; L336-A339 PolarHBondContact O-N 2.74Å; L336-K340 HydrophobicContact CD1-CD 4.43Å; L336-K340 HydrophobicContact CD1-CG 4.38Å; L336-K340 HydrophobicContact CG-CD 4.35Å; L336-K340 WeakPolarHBondContact O-CB 3.41Å; L336-K340 WeakPolarHBondContact O-CG 3.1Å; L336-K340 PolarHBondContact O-N 3.34Å; L336-L401 HydrophobicContact CB-CD2 4.32Å; L336-Q404 HydrophobicContact CD1-CB 4.09Å; L336-Q404 HydrophobicContact CD2-CB 3.86Å; L336-Q404 HydrophobicContact CD2-CG 4.46Å; L336-Q404 VanDerWaalsContact CD2-OE1 3.28Å; L336-L405 HydrophobicContact CD1-CB 4Å
337Q98.8Very high98.3Very high111 Ų11149.9 Ų49.952%0.51926%0.262SS..Hα-helixtrans-65.9-43.1178.8-67.3-59.2-20.200111.7T333 I334 K340 N341T333-Q337 VanDerWaalsContact O-CG 3.32Å; T333-Q337 WeakPolarHBondContact O-CG 3.44Å; T333-Q337 PolarHBondContact O-N 3.39Å; I334-Q337 PolarHBondContact O-N 3.08Å; Q337-K340 PolarHBondContact O-N 3.23Å; Q337-N341 WeakPolarHBondContact O-CB 3.5Å; Q337-N341 PolarHBondContact O-N 3.21Å
338S98.9Very high98.4Very high11 Ų1144.2 Ų44.28%0.07723%0.231CC..Hα-helixtrans-59.7-49.3175.5-174.50000111.2D314 I334 L335 K340 N341 N342D314-S338 PolarHBondContact N-OG 3.12Å; I334-S338 WeakPolarHBondContact O-CB 3.03Å; I334-S338 PolarHBondContact O-N 2.92Å; L335-S338 PolarHBondContact O-N 2.87Å; S338-K340 PolarHBondContact O-N 3.02Å; S338-N341 PolarHBondContact O-N 2.9Å; S338-N342 WeakPolarHBondContact O-CB 3.43Å; S338-N342 PolarHBondContact O-N 2.84Å; S338-N342 PolarHBondContact O-ND2 3.35Å
339A98.9Very high98.6Very high0 Ų037.8 Ų37.80%020%0.201CC..Hα-helixtrans-61-43.9177.500000112.8V309 L312 A313 L335 L336 L343 L405V309-A339 HydrophobicContact CB-CB 4.4Å; V309-A339 HydrophobicContact CG1-CB 4.12Å; V309-A339 HydrophobicContact CG2-CB 4.42Å; L312-A339 HydrophobicContact CB-CB 3.92Å; A313-A339 HydrophobicContact CB-CB 4.32Å; L335-A339 VanDerWaalsContact O-CB 3.3Å; L335-A339 WeakPolarHBondContact O-CB 3.27Å; L335-A339 PolarHBondContact O-N 3.08Å; L336-A339 PolarHBondContact O-N 2.74Å; A339-L343 WeakPolarHBondContact O-CB 3Å; A339-L343 PolarHBondContact O-N 3.1Å; A339-L405 HydrophobicContact CB-CD1 4.17Å; A339-L405 HydrophobicContact CB-CD2 4.28Å
340K98.9Very high98.7Very high27 Ų2733.4 Ų33.412%0.11717%0.17CC..Hα-helixtrans-61.2-45.5175.8-77-178.6177.1-178.90111.6L336 Q337 S338 K344 L405 Y408L336-K340 HydrophobicContact CD1-CD 4.43Å; L336-K340 HydrophobicContact CD1-CG 4.38Å; L336-K340 HydrophobicContact CG-CD 4.35Å; L336-K340 WeakPolarHBondContact O-CB 3.41Å; L336-K340 WeakPolarHBondContact O-CG 3.1Å; L336-K340 PolarHBondContact O-N 3.34Å; Q337-K340 PolarHBondContact O-N 3.23Å; S338-K340 PolarHBondContact O-N 3.02Å; K340-K344 WeakPolarHBondContact O-CB 3.4Å; K340-K344 PolarHBondContact O-N 3.08Å; K340-L405 HydrophobicContact CG-CD1 3.87Å; K340-Y408 HydrophobicContact CB-CD1 4.2Å; K340-Y408 HydrophobicContact CB-CE1 3.89Å; K340-Y408 HydrophobicContact CD-CD1 4.14Å; K340-Y408 HydrophobicContact CD-CD2 3.99Å; K340-Y408 HydrophobicContact CD-CE1 4.43Å; K340-Y408 HydrophobicContact CD-CE2 4.27Å; K340-Y408 HydrophobicContact CD-CG 3.89Å; K340-Y408 HydrophobicContact CG-CD1 3.72Å; K340-Y408 HydrophobicContact CG-CD2 4.47Å; K340-Y408 HydrophobicContact CG-CE1 3.95Å; K340-Y408 HydrophobicContact CG-CG 3.99Å
341N98.8Very high98.7Very high79 Ų7928.4 Ų28.442%0.42215%0.147SC..Hα-helixtrans-64.9-48.9179.6-176.356.7000111.5Q337 S338 K344 N345Q337-N341 WeakPolarHBondContact O-CB 3.5Å; Q337-N341 PolarHBondContact O-N 3.21Å; S338-N341 PolarHBondContact O-N 2.9Å; N341-K344 PolarHBondContact O-N 2.8Å; N341-N345 WeakPolarHBondContact O-CB 3.29Å; N341-N345 PolarHBondContact O-N 3.45Å; N341-N345 PolarHBondContact O-ND2 3.42Å; N341-N345 VanDerWaalsContact O-ND2 3.09Å; N341-N345 PolarHBondContact OD1-ND2 3.43Å
342N98.8Very high98.7Very high18 Ų1827.8 Ų27.810%0.09615%0.147CC..Hα-helixtrans-61.3-48179.6-70.8-12.9000111.3W210 L312 S338 K344 N345 M346W210-N342 VanDerWaalsContact CD2-ND2 3.28Å; W210-N342 VanDerWaalsContact CE2-CG 3.43Å; W210-N342 WeakPolarHBondContact CZ2-ND2 3.45Å; L312-N342 WeakPolarHBondContact O-CB 3.39Å; L312-N342 PolarHBondContact O-ND2 2.87Å; S338-N342 WeakPolarHBondContact O-CB 3.43Å; S338-N342 PolarHBondContact O-N 2.84Å; S338-N342 PolarHBondContact O-ND2 3.35Å; N342-K344 PolarHBondContact O-N 3.48Å; N342-N345 PolarHBondContact O-N 3.04Å; N342-M346 WeakPolarHBondContact O-CG 3.44Å; N342-M346 PolarHBondContact O-N 3.24Å
343L98.8Very high98.5Very high0 Ų029.4 Ų29.40%015%0.154CC..Hα-helixtrans-60.5-44.7176.8-17870000112.3T240 L242 L312 A339 N345 M346 F349 L405 A409T240-L343 HydrophobicContact CG2-CD1 3.73Å; L242-L343 HydrophobicContact CD1-CD1 3.98Å; L242-L343 HydrophobicContact CD1-CD2 3.57Å; L242-L343 HydrophobicContact CD1-CG 4.44Å; L312-L343 HydrophobicContact CD1-CB 4.4Å; L312-L343 HydrophobicContact CD1-CD1 4.11Å; A339-L343 WeakPolarHBondContact O-CB 3Å; A339-L343 PolarHBondContact O-N 3.1Å; L343-N345 VanDerWaalsContact C-N 3.27Å; L343-N345 PolarHBondContact O-N 3.42Å; L343-M346 HydrophobicContact CD1-SD 4.42Å; L343-M346 WeakPolarHBondContact O-CB 3.33Å; L343-M346 PolarHBondContact O-N 3.3Å; L343-F349 HydrophobicContact CD1-CB 3.8Å; L343-F349 HydrophobicContact CD1-CD1 3.76Å; L343-F349 HydrophobicContact CD1-CD2 4.12Å; L343-F349 HydrophobicContact CD1-CE1 4.37Å; L343-F349 HydrophobicContact CD1-CG 3.63Å; L343-F349 HydrophobicContact CD2-CE1 4.48Å; L343-F349 HydrophobicContact CD2-CE2 4.49Å; L343-F349 HydrophobicContact CD2-CZ 4.41Å; L343-F349 HydrophobicContact CG-CD1 3.93Å; L343-F349 HydrophobicContact CG-CE1 4.06Å; L343-F349 HydrophobicContact CG-CG 4.22Å; L343-F349 HydrophobicContact CG-CZ 4.46Å; L343-L405 HydrophobicContact CD2-CD1 4.09Å; L343-A409 HydrophobicContact CD2-CB 3.59Å
344K98.6Very high98.4Very high45 Ų4527.9 Ų27.920%0.19614%0.14CC..Hα-helixtrans-60.1-40.1178.2-174.4-176.478.9149.90111.4D131 R134 K340 N341 N342 Y408 L412 R416D131-K344 HydrophobicContact CB-CD 4.3Å; D131-K344 HydrophobicContact CB-CG 4.44Å; D131-K344 WeakPolarHBondContact OD1-CD 3.4Å; D131-K344 WeakPolarHBondContact OD1-CE 3.33Å; D131-K344 IonicContact OD1-NZ 3.81Å; D131-K344 PolarHBondContact OD1-NZ 3.03Å; D131-K344 IonicContact OD2-NZ 2.79Å; R134-K344 PolarHBondContact NH2-O 2.88Å; K340-K344 WeakPolarHBondContact O-CB 3.4Å; K340-K344 PolarHBondContact O-N 3.08Å; N341-K344 PolarHBondContact O-N 2.8Å; N342-K344 PolarHBondContact O-N 3.48Å; K344-Y408 WeakPolarHBondContact CD-OH 3.39Å; K344-L412 HydrophobicContact CB-CD2 4.24Å; K344-L412 HydrophobicContact CG-CD2 4.07Å; K344-R416 PolarHBondContact O-NH2 3.26Å
345N98.4Very high98.4Very high89 Ų8926.4 Ų26.448%0.47613%0.133SC..Hα-helixtrans-85.1-10.2-175.9-64.2-26.7000114N341 N342 L343N341-N345 WeakPolarHBondContact O-CB 3.29Å; N341-N345 PolarHBondContact O-N 3.45Å; N341-N345 PolarHBondContact O-ND2 3.42Å; N341-N345 VanDerWaalsContact O-ND2 3.09Å; N341-N345 PolarHBondContact OD1-ND2 3.43Å; N342-N345 PolarHBondContact O-N 3.04Å; L343-N345 VanDerWaalsContact C-N 3.27Å; L343-N345 PolarHBondContact O-N 3.42Å
346M98.6Very high98.3Very high6 Ų631.6 Ų31.63%0.0315%0.152CC..SBendtrans-56150.8167.9-76.1-174-176.700111.2R134 L149 Y238 T240 L312 N342 L343 F348R134-M346 PolarHBondContact NE-O 3.49Å; L149-M346 HydrophobicContact CD1-CE 4.06Å; Y238-M346 WeakPolarHBondContact O-CB 3.18Å; T240-M346 HydrophobicContact CG2-CE 4.45Å; T240-M346 HydrophobicContact CG2-SD 3.73Å; L312-M346 HydrophobicContact CD2-CE 3.49Å; L312-M346 VanDerWaalsContact CD2-CE 3.49Å; L312-M346 HydrophobicContact CD2-SD 4.46Å; N342-M346 WeakPolarHBondContact O-CG 3.44Å; N342-M346 PolarHBondContact O-N 3.24Å; L343-M346 HydrophobicContact CD1-SD 4.42Å; L343-M346 WeakPolarHBondContact O-CB 3.33Å; L343-M346 PolarHBondContact O-N 3.3Å; M346-F348 VanDerWaalsContact C-N 3.27Å; M346-F348 PolarHBondContact O-N 3.33Å
347A98.5Very high98.3Very high11 Ų1132.6 Ų32.69%0.09116%0.156CC..SBendtrans-60.2-42.9175.900000110.4R134 V136 Y237 Y238 I239 T365 F366R134-A347 WeakPolarHBondContact CD-O 3.49Å; V136-A347 HydrophobicContact CG2-CB 4.17Å; Y237-A347 HydrophobicContact CD1-CB 4.18Å; Y237-A347 HydrophobicContact CG-CB 4.39Å; Y238-A347 PolarHBondContact O-N 3.01Å; I239-A347 HydrophobicContact CG2-CB 4.46Å; A347-T365 WeakPolarHBondContact O-CG2 3.19Å; A347-F366 HydrophobicContact CB-CE1 4.12Å; A347-F366 HydrophobicContact CB-CZ 3.73Å
348F98.8Very high98.3Very high4 Ų427.3 Ų27.32%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-154.5148.2-179.3168.3-95.8000111.4F159 I239 T240 M346 T358 L361 F362 T365 F366F159-F348 HydrophobicContact CE2-CE1 4.29Å; F159-F348 HydrophobicContact CZ-CD1 4.43Å; F159-F348 AromaticContact CZ-CE1 3.82Å; F159-F348 HydrophobicContact CZ-CE1 3.82Å; I239-F348 WeakPolarHBondContact CA-O 3.42Å; I239-F348 HydrophobicContact CB-CD1 4.24Å; I239-F348 WeakPolarHBondContact CB-O 3.29Å; I239-F348 HydrophobicContact CG2-CB 3.8Å; I239-F348 HydrophobicContact CG2-CD1 4.27Å; T240-F348 PolarHBondContact N-O 2.85Å; M346-F348 VanDerWaalsContact C-N 3.27Å; M346-F348 PolarHBondContact O-N 3.33Å; F348-T358 HydrophobicContact CE1-CG2 4.4Å; F348-T358 HydrophobicContact CZ-CG2 3.87Å; F348-T358 WeakPolarHBondContact CZ-O 3.33Å; F348-L361 HydrophobicContact CD2-CB 4.21Å; F348-L361 HydrophobicContact CE2-CB 3.62Å; F348-F362 HydrophobicContact CD1-CB 4.44Å; F348-F362 AromaticContact CD1-CD2 3.74Å; F348-F362 HydrophobicContact CD1-CD2 3.74Å; F348-F362 HydrophobicContact CD2-CB 4.33Å; F348-F362 HydrophobicContact CE1-CB 4.06Å; F348-F362 AromaticContact CE1-CD2 3.85Å; F348-F362 HydrophobicContact CE1-CD2 3.85Å; F348-F362 HydrophobicContact CE1-CG 4.47Å; F348-F362 HydrophobicContact CE2-CB 3.95Å; F348-F362 VanDerWaalsContact CE2-N 3.32Å; F348-F362 HydrophobicContact CG-CD2 4.24Å; F348-F362 HydrophobicContact CZ-CB 3.79Å; F348-F362 HydrophobicContact CZ-CD2 4.45Å; F348-T365 HydrophobicContact CB-CG2 4.2Å; F348-F366 HydrophobicContact CB-CE2 3.78Å; F348-F366 HydrophobicContact CB-CZ 4.3Å; F348-F366 HydrophobicContact CG-CE2 4.44Å
349F98.9Very high98.2Very high2 Ų227.9 Ų27.91%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-141.6151.1161.369.5-90000110.2T240 L242 L343 L351 A409 L412 F413 R416T240-F349 HydrophobicContact CG2-CB 3.8Å; T240-F349 VanDerWaalsContact O-CA 3.28Å; T240-F349 WeakPolarHBondContact O-CA 3.5Å; L242-F349 HydrophobicContact CD1-CD2 4.47Å; L343-F349 HydrophobicContact CD1-CB 3.8Å; L343-F349 HydrophobicContact CD1-CD1 3.76Å; L343-F349 HydrophobicContact CD1-CD2 4.12Å; L343-F349 HydrophobicContact CD1-CE1 4.37Å; L343-F349 HydrophobicContact CD1-CG 3.63Å; L343-F349 HydrophobicContact CD2-CE1 4.48Å; L343-F349 HydrophobicContact CD2-CE2 4.49Å; L343-F349 HydrophobicContact CD2-CZ 4.41Å; L343-F349 HydrophobicContact CG-CD1 3.93Å; L343-F349 HydrophobicContact CG-CE1 4.06Å; L343-F349 HydrophobicContact CG-CG 4.22Å; L343-F349 HydrophobicContact CG-CZ 4.46Å; F349-L351 HydrophobicContact CD2-CD2 4.34Å; F349-L351 HydrophobicContact CE2-CD2 4.22Å; F349-A409 HydrophobicContact CE2-CB 4.04Å; F349-A409 HydrophobicContact CZ-CB 4.37Å; F349-L412 HydrophobicContact CE1-CD2 3.88Å; F349-L412 HydrophobicContact CE1-CG 4.29Å; F349-L412 HydrophobicContact CZ-CB 4.36Å; F349-L412 HydrophobicContact CZ-CD2 4.08Å; F349-L412 HydrophobicContact CZ-CG 4.18Å; F349-F413 HydrophobicContact CD2-CD2 4.44Å; F349-F413 HydrophobicContact CE2-CB 3.84Å; F349-F413 HydrophobicContact CE2-CD2 4.16Å; F349-F413 HydrophobicContact CE2-CG 4.45Å; F349-F413 HydrophobicContact CZ-CB 4.06Å; F349-F413 WeakPolarHBondContact O-CD2 3.4Å; F349-R416 VanDerWaalsContact CE1-NH1 3.32Å
350G98.7Very high98.2Very high0 Ų028.8 Ų28.80%014%0.137CC..EExtended strand (participates in β ladder)trans-115166.2177.100000113.2T240 M241 L242T240-G350 PolarHBondContact O-N 2.76Å; M241-G350 WeakPolarHBondContact CA-O 3.43Å; M241-G350 VanDerWaalsContact SD-CA 3.54Å; L242-G350 PolarHBondContact N-O 3.44Å
351L98.7Very high98.2Very high0 Ų027.9 Ų27.90%013%0.133CC..EExtended strand (participates in β ladder)trans-120.5134.5176.6-60.2-175.9000109.6L242 F349 E353 F354 T358 Y406 K410 F413L242-L351 HydrophobicContact CB-CD2 3.79Å; F349-L351 HydrophobicContact CD2-CD2 4.34Å; F349-L351 HydrophobicContact CE2-CD2 4.22Å; L351-E353 PolarHBondContact O-N 2.03Å; L351-F354 HydrophobicContact CB-CD2 3.79Å; L351-F354 HydrophobicContact CD1-CD2 3.76Å; L351-F354 HydrophobicContact CD1-CE2 4.02Å; L351-F354 HydrophobicContact CG-CD2 4.4Å; L351-F354 PolarHBondContact O-N 3.2Å; L351-F354 VanDerWaalsContact O-N 3.11Å; L351-T358 PolarHBondContact N-OG1 3.27Å; L351-T358 PolarHBondContact O-OG1 2.82Å; L351-Y406 HydrophobicContact CD2-CE2 3.96Å; L351-K410 HydrophobicContact CD1-CB 4.26Å; L351-K410 HydrophobicContact CD1-CG 4.3Å; L351-F413 HydrophobicContact CD1-CB 3.75Å; L351-F413 HydrophobicContact CD1-CD1 3.57Å; L351-F413 HydrophobicContact CD1-CD2 4.38Å; L351-F413 HydrophobicContact CD1-CE1 4.24Å; L351-F413 HydrophobicContact CD1-CG 3.65Å; L351-F413 HydrophobicContact CG-CB 4.21Å; L351-F413 HydrophobicContact CG-CD1 4.01Å; L351-F413 HydrophobicContact CG-CD2 4.06Å; L351-F413 HydrophobicContact CG-CE1 4.38Å; L351-F413 HydrophobicContact CG-CE2 4.43Å; L351-F413 HydrophobicContact CG-CG 3.83Å
352T97.5Very high98.2Very high20 Ų2024.1 Ų24.112%0.12311%0.113CC..THydrogen-bonded Turntrans-60.7-32.6-173.9-56.80000112.2T154 L242 R243 F354 Q355 Q376T154-T352 VanDerWaalsContact C-OG1 3.3Å; T154-T352 PolarHBondContact O-OG1 3.13Å; T154-T352 VanDerWaalsContact O-OG1 3.05Å; L242-T352 PolarHBondContact O-N 2.82Å; L242-T352 PolarHBondContact O-OG1 3.21Å; R243-T352 HydrophobicContact CG-CG2 4.41Å; T352-F354 VanDerWaalsContact C-N 3.3Å; T352-F354 PolarHBondContact O-N 3.17Å; T352-Q355 PolarHBondContact O-NE2 3.01Å; T352-Q376 PolarHBondContact O-NE2 3.32Å
353E95.4Very high98.2Very high55 Ų5524.1 Ų24.126%0.25711%0.112SC..THydrogen-bonded Turntrans-79.6-10.7-176.8-58.192.5125.900113.2D244 L351 Q376 Y406D244-E353 WeakPolarHBondContact CA-OE1 3.3Å; D244-E353 WeakPolarHBondContact CB-OE1 3.4Å; D244-E353 PolarHBondContact N-OE1 3.27Å; L351-E353 PolarHBondContact O-N 2.03Å; E353-Q376 PolarHBondContact O-OE1 3.39Å; E353-Y406 VanDerWaalsContact OE1-CZ 3.27Å; E353-Y406 PolarHBondContact OE1-OH 3.22Å; E353-Y406 PolarHBondContact OE2-OH 3.28Å
354F97Very high98.2Very high48 Ų4827.1 Ų27.121%0.21112%0.123CC..  trans-13062.7-176.3-55.4-69.8000111.1L351 T352 R356 K357 T358 K410 F413L351-F354 HydrophobicContact CB-CD2 3.79Å; L351-F354 HydrophobicContact CD1-CD2 3.76Å; L351-F354 HydrophobicContact CD1-CE2 4.02Å; L351-F354 HydrophobicContact CG-CD2 4.4Å; L351-F354 PolarHBondContact O-N 3.2Å; L351-F354 VanDerWaalsContact O-N 3.11Å; T352-F354 VanDerWaalsContact C-N 3.3Å; T352-F354 PolarHBondContact O-N 3.17Å; F354-R356 PolarHBondContact O-N 3.06Å; F354-K357 HydrophobicContact CB-CB 4.13Å; F354-K357 HydrophobicContact CB-CG 4.48Å; F354-K357 HydrophobicContact CD1-CD 4.49Å; F354-K357 PolarHBondContact O-N 3.37Å; F354-T358 WeakPolarHBondContact O-CB 3.22Å; F354-T358 PolarHBondContact O-N 2.88Å; F354-T358 PolarHBondContact O-OG1 3.39Å; F354-K410 HydrophobicContact CE2-CG 4.37Å; F354-F413 HydrophobicContact CB-CE1 3.85Å; F354-F413 HydrophobicContact CB-CZ 4.32Å; F354-F413 HydrophobicContact CD2-CD1 4.47Å; F354-F413 HydrophobicContact CD2-CE1 4.23Å; F354-F413 HydrophobicContact CG-CE1 4.28Å
355Q97.1Very high98.2Very high15 Ų1525.2 Ų25.27%0.0712%0.116CC..Hα-helixtrans-60.3-41.9-174.5-70-61.1-50.900113.2T352 T358 Q359 F374T352-Q355 PolarHBondContact O-NE2 3.01Å; Q355-T358 WeakPolarHBondContact O-CB 3.43Å; Q355-T358 PolarHBondContact O-N 2.84Å; Q355-Q359 PolarHBondContact O-N 3.37Å; Q355-F374 HydrophobicContact CB-CB 4.05Å; Q355-F374 WeakPolarHBondContact O-CD2 3.44Å
356R97.4Very high98.2Very high112 Ų11221.1 Ų21.142%0.4239%0.094SC..Hα-helixtrans-68-44.7178.6-70.1-61.1-163.61451.6113E111 F354 T358 Q359 F360 F374E111-R356 WeakPolarHBondContact OE1-CB 3.43Å; E111-R356 WeakPolarHBondContact OE1-CG 3.5Å; F354-R356 PolarHBondContact O-N 3.06Å; R356-T358 VanDerWaalsContact C-N 3.29Å; R356-T358 PolarHBondContact O-N 3.49Å; R356-Q359 WeakPolarHBondContact O-CB 3.45Å; R356-Q359 PolarHBondContact O-N 3.48Å; R356-F360 WeakPolarHBondContact O-CB 2.94Å; R356-F360 PolarHBondContact O-N 3.09Å; R356-F374 VanDerWaalsContact CD-O 3.23Å; R356-F374 WeakPolarHBondContact CD-O 3.36Å; R356-F374 PolarHBondContact NE-O 3.47Å
357K98.3Very high98.1Very high32 Ų3226.6 Ų26.614%0.13912%0.123CC..Hα-helixtrans-64.3-36.5174.7-56.8-170.5176.1-177.20111.5F354 F360 L361 F413 Y417F354-K357 HydrophobicContact CB-CB 4.13Å; F354-K357 HydrophobicContact CB-CG 4.48Å; F354-K357 HydrophobicContact CD1-CD 4.49Å; F354-K357 PolarHBondContact O-N 3.37Å; K357-F360 PolarHBondContact O-N 3.17Å; K357-L361 WeakPolarHBondContact O-CB 3.33Å; K357-L361 PolarHBondContact O-N 3.39Å; K357-F413 HydrophobicContact CB-CE1 3.8Å; K357-F413 HydrophobicContact CB-CZ 3.89Å; K357-Y417 HydrophobicContact CB-CD2 3.7Å; K357-Y417 HydrophobicContact CB-CE2 3.91Å; K357-Y417 HydrophobicContact CB-CG 4.29Å; K357-Y417 HydrophobicContact CD-CD1 3.93Å; K357-Y417 HydrophobicContact CD-CD2 4.09Å; K357-Y417 HydrophobicContact CD-CE1 3.97Å; K357-Y417 HydrophobicContact CD-CE2 4.12Å; K357-Y417 HydrophobicContact CD-CG 3.99Å; K357-Y417 HydrophobicContact CG-CD1 4.5Å; K357-Y417 HydrophobicContact CG-CD2 3.81Å; K357-Y417 HydrophobicContact CG-CE1 4.35Å; K357-Y417 HydrophobicContact CG-CE2 3.63Å; K357-Y417 HydrophobicContact CG-CG 4.24Å
358T98.6Very high98Very high0 Ų027.1 Ų27.10%012%0.124CC..Hα-helixtrans-61.4-47.7173.7-690000110.8F159 M241 F348 L351 F354 Q355 R356 F362 F374F159-T358 HydrophobicContact CD2-CG2 4.39Å; F159-T358 HydrophobicContact CE2-CG2 4.18Å; M241-T358 HydrophobicContact CE-CG2 4.08Å; M241-T358 HydrophobicContact SD-CG2 3.88Å; F348-T358 HydrophobicContact CE1-CG2 4.4Å; F348-T358 HydrophobicContact CZ-CG2 3.87Å; F348-T358 WeakPolarHBondContact CZ-O 3.33Å; L351-T358 PolarHBondContact N-OG1 3.27Å; L351-T358 PolarHBondContact O-OG1 2.82Å; F354-T358 WeakPolarHBondContact O-CB 3.22Å; F354-T358 PolarHBondContact O-N 2.88Å; F354-T358 PolarHBondContact O-OG1 3.39Å; Q355-T358 WeakPolarHBondContact O-CB 3.43Å; Q355-T358 PolarHBondContact O-N 2.84Å; R356-T358 VanDerWaalsContact C-N 3.29Å; R356-T358 PolarHBondContact O-N 3.49Å; T358-F362 WeakPolarHBondContact O-CB 3.3Å; T358-F362 PolarHBondContact O-N 3.07Å; T358-F374 HydrophobicContact CG2-CE2 4.2Å
359Q98.6Very high98Very high22 Ų2231 Ų3110%0.10314%0.141CC..Hα-helixtrans-57-53.2173.7-172.9-167.2-23.200110.8Q355 R356 L361 F362 E363 F370 F374Q355-Q359 PolarHBondContact O-N 3.37Å; R356-Q359 WeakPolarHBondContact O-CB 3.45Å; R356-Q359 PolarHBondContact O-N 3.48Å; Q359-L361 PolarHBondContact O-N 3.38Å; Q359-F362 PolarHBondContact O-N 3.31Å; Q359-E363 HydrophobicContact CG-CG 4.45Å; Q359-E363 PolarHBondContact NE2-OE1 2.92Å; Q359-E363 WeakPolarHBondContact O-CG 3.12Å; Q359-E363 PolarHBondContact O-N 3.05Å; Q359-F370 HydrophobicContact CG-CB 4.44Å; Q359-F370 HydrophobicContact CG-CD2 3.48Å; Q359-F370 VanDerWaalsContact CG-CD2 3.48Å; Q359-F370 HydrophobicContact CG-CE2 4.08Å; Q359-F370 HydrophobicContact CG-CG 4.27Å; Q359-F374 HydrophobicContact CB-CB 4.23Å; Q359-F374 HydrophobicContact CB-CD1 4.09Å; Q359-F374 HydrophobicContact CB-CD2 3.87Å; Q359-F374 HydrophobicContact CB-CE1 4.41Å; Q359-F374 HydrophobicContact CB-CE2 4.19Å; Q359-F374 HydrophobicContact CB-CG 3.81Å; Q359-F374 HydrophobicContact CB-CZ 4.46Å; Q359-F374 HydrophobicContact CG-CD1 3.95Å; Q359-F374 HydrophobicContact CG-CE1 4.13Å; Q359-F374 HydrophobicContact CG-CG 4.18Å
360F98.6Very high98Very high20 Ų2031.5 Ų31.59%0.08814%0.143CC..Hα-helixtrans-54.3-51.7-177.8174.3-92.9000112.4R356 K357 E363 R364 Y417 T420 K421 E424R356-F360 WeakPolarHBondContact O-CB 2.94Å; R356-F360 PolarHBondContact O-N 3.09Å; K357-F360 PolarHBondContact O-N 3.17Å; F360-E363 PolarHBondContact O-N 2.9Å; F360-R364 VanDerWaalsContact CE2-NE 3.29Å; F360-R364 HydrophobicContact CZ-CG 4.41Å; F360-R364 WeakPolarHBondContact O-CD 3.21Å; F360-R364 PolarHBondContact O-N 3.05Å; F360-R364 VanDerWaalsContact O-N 3.13Å; F360-Y417 HydrophobicContact CB-CE2 4.25Å; F360-Y417 AromaticContact CD1-CD2 3.6Å; F360-Y417 HydrophobicContact CD1-CD2 3.6Å; F360-Y417 AromaticContact CD1-CE2 3.64Å; F360-Y417 HydrophobicContact CD1-CE2 3.64Å; F360-Y417 HydrophobicContact CE1-CD2 4.14Å; F360-Y417 HydrophobicContact CE1-CE2 4.19Å; F360-Y417 HydrophobicContact CG-CD2 4.34Å; F360-Y417 AromaticContact CG-CE2 3.97Å; F360-Y417 HydrophobicContact CG-CE2 3.97Å; F360-T420 HydrophobicContact CE1-CG2 3.79Å; F360-T420 HydrophobicContact CZ-CG2 4.12Å; F360-K421 HydrophobicContact CE1-CD 4.11Å; F360-K421 HydrophobicContact CE1-CG 3.83Å; F360-K421 HydrophobicContact CE2-CD 3.78Å; F360-K421 VanDerWaalsContact CE2-CE 3.41Å; F360-K421 HydrophobicContact CE2-CG 4.41Å; F360-K421 HydrophobicContact CZ-CD 3.49Å; F360-K421 VanDerWaalsContact CZ-CD 3.49Å; F360-K421 HydrophobicContact CZ-CG 3.71Å; F360-E424 WeakPolarHBondContact CE2-OE2 3.39Å; F360-E424 VanDerWaalsContact CZ-OE2 3.23Å; F360-E424 WeakPolarHBondContact CZ-OE2 3.44Å
361L98.6Very high97.9Very high8 Ų836 Ų364%0.04217%0.166CC..Hα-helixtrans-66.5-39.1-179-80178.2000112.3F348 K357 Q359 R364 T365 F413 R416 Y417F348-L361 HydrophobicContact CD2-CB 4.21Å; F348-L361 HydrophobicContact CE2-CB 3.62Å; K357-L361 WeakPolarHBondContact O-CB 3.33Å; K357-L361 PolarHBondContact O-N 3.39Å; Q359-L361 PolarHBondContact O-N 3.38Å; L361-R364 PolarHBondContact O-N 3.09Å; L361-T365 VanDerWaalsContact O-CB 3.3Å; L361-T365 WeakPolarHBondContact O-CB 3.41Å; L361-T365 PolarHBondContact O-N 3.47Å; L361-T365 PolarHBondContact O-OG1 3.16Å; L361-F413 HydrophobicContact CD1-CD2 3.85Å; L361-F413 HydrophobicContact CD1-CE2 3.6Å; L361-F413 HydrophobicContact CD1-CG 4.43Å; L361-F413 HydrophobicContact CD1-CZ 3.99Å; L361-R416 HydrophobicContact CD1-CB 4.18Å; L361-R416 HydrophobicContact CD2-CB 4.31Å; L361-Y417 HydrophobicContact CG-CD2 4.49Å
362F98.8Very high97.9Very high0 Ų039 Ų390%019%0.187CC..Hα-helixtrans-60.6-47.2175.8-179-82.3000111.1I146 F159 L163 I167 I239 F348 T358 Q359 R364 T365 F366 L368 F370I146-F362 HydrophobicContact CD1-CZ 4.36Å; F159-F362 HydrophobicContact CE2-CD2 4.45Å; F159-F362 AromaticContact CZ-CD2 3.88Å; F159-F362 HydrophobicContact CZ-CD2 3.88Å; F159-F362 HydrophobicContact CZ-CE2 4.16Å; L163-F362 HydrophobicContact CD2-CE1 4.45Å; L163-F362 HydrophobicContact CD2-CE2 3.65Å; L163-F362 HydrophobicContact CD2-CZ 3.59Å; I167-F362 HydrophobicContact CD1-CE1 4.03Å; I167-F362 HydrophobicContact CD1-CZ 4.12Å; I239-F362 HydrophobicContact CD1-CE2 3.93Å; F348-F362 HydrophobicContact CD1-CB 4.44Å; F348-F362 AromaticContact CD1-CD2 3.74Å; F348-F362 HydrophobicContact CD1-CD2 3.74Å; F348-F362 HydrophobicContact CD2-CB 4.33Å; F348-F362 HydrophobicContact CE1-CB 4.06Å; F348-F362 AromaticContact CE1-CD2 3.85Å; F348-F362 HydrophobicContact CE1-CD2 3.85Å; F348-F362 HydrophobicContact CE1-CG 4.47Å; F348-F362 HydrophobicContact CE2-CB 3.95Å; F348-F362 VanDerWaalsContact CE2-N 3.32Å; F348-F362 HydrophobicContact CG-CD2 4.24Å; F348-F362 HydrophobicContact CZ-CB 3.79Å; F348-F362 HydrophobicContact CZ-CD2 4.45Å; T358-F362 WeakPolarHBondContact O-CB 3.3Å; T358-F362 PolarHBondContact O-N 3.07Å; Q359-F362 PolarHBondContact O-N 3.31Å; F362-R364 VanDerWaalsContact C-N 3.34Å; F362-R364 PolarHBondContact O-N 3.04Å; F362-T365 PolarHBondContact O-N 3.32Å; F362-F366 HydrophobicContact CD1-CD2 4.37Å; F362-F366 AromaticContact CD2-CD2 3.88Å; F362-F366 HydrophobicContact CD2-CD2 3.88Å; F362-F366 AromaticContact CD2-CE2 3.93Å; F362-F366 HydrophobicContact CD2-CE2 3.93Å; F362-F366 HydrophobicContact CE1-CD2 4.19Å; F362-F366 AromaticContact CE2-CD2 3.68Å; F362-F366 HydrophobicContact CE2-CD2 3.68Å; F362-F366 AromaticContact CE2-CE2 3.71Å; F362-F366 HydrophobicContact CE2-CE2 3.71Å; F362-F366 HydrophobicContact CG-CD2 4.23Å; F362-F366 AromaticContact CZ-CD2 3.84Å; F362-F366 HydrophobicContact CZ-CD2 3.84Å; F362-F366 HydrophobicContact CZ-CE2 4.28Å; F362-F366 PolarHBondContact O-N 3.4Å; F362-F366 VanDerWaalsContact O-N 3.13Å; F362-L368 HydrophobicContact CE1-CB 4.41Å; F362-L368 HydrophobicContact CE1-CD1 4.2Å; F362-F370 HydrophobicContact CB-CE2 4.12Å; F362-F370 HydrophobicContact CD1-CD2 4.44Å; F362-F370 AromaticContact CD1-CE2 3.32Å; F362-F370 HydrophobicContact CD1-CE2 3.32Å; F362-F370 AromaticContact CD1-CZ 3.41Å; F362-F370 HydrophobicContact CD1-CZ 3.41Å; F362-F370 VanDerWaalsContact CD1-CZ 3.41Å; F362-F370 AromaticContact CE1-CE2 3.98Å; F362-F370 HydrophobicContact CE1-CE2 3.98Å; F362-F370 AromaticContact CE1-CZ 3.65Å; F362-F370 HydrophobicContact CE1-CZ 3.65Å; F362-F370 AromaticContact CG-CE2 3.9Å; F362-F370 HydrophobicContact CG-CE2 3.9Å; F362-F370 AromaticContact CG-CZ 3.97Å; F362-F370 HydrophobicContact CG-CZ 3.97Å; F362-F370 HydrophobicContact CZ-CZ 4.37Å
363E98.5Very high97.9Very high17 Ų1741.1 Ų41.18%0.07920%0.202CC..Hα-helixtrans-58.8-44.6179.8-72.5-173.8175.200112.1Q359 F360 N367 L368 K369 F370Q359-E363 HydrophobicContact CG-CG 4.45Å; Q359-E363 PolarHBondContact NE2-OE1 2.92Å; Q359-E363 WeakPolarHBondContact O-CG 3.12Å; Q359-E363 PolarHBondContact O-N 3.05Å; F360-E363 PolarHBondContact O-N 2.9Å; E363-N367 CarbonylContact O-C 3.4Å; E363-N367 WeakPolarHBondContact O-CA 3.28Å; E363-N367 PolarHBondContact O-N 3.05Å; E363-L368 CarbonylContact C-O 3.56Å; E363-L368 WeakPolarHBondContact CA-O 3.42Å; E363-L368 WeakPolarHBondContact CB-O 3.49Å; E363-L368 VanDerWaalsContact CG-O 3.24Å; E363-L368 WeakPolarHBondContact CG-O 3.38Å; E363-L368 PolarHBondContact O-N 2.99Å; E363-L368 VanDerWaalsContact O-N 3.1Å; E363-K369 HydrophobicContact CB-CD 4.48Å; E363-K369 HydrophobicContact CG-CD 4.36Å; E363-K369 WeakPolarHBondContact OE2-CD 3.29Å; E363-K369 IonicContact OE2-NZ 3.27Å; E363-F370 HydrophobicContact CG-CD2 3.77Å; E363-F370 HydrophobicContact CG-CE2 4.21Å; E363-F370 PolarHBondContact OE1-N 3.35Å
364R97.9Very high97.9Very high63 Ų6338.5 Ų38.524%0.23819%0.189CC..Hα-helixtrans-72.8-35179.3-8673.1-174.8152.9-4.2112.2F360 L361 F362 T420 E424F360-R364 VanDerWaalsContact CE2-NE 3.29Å; F360-R364 HydrophobicContact CZ-CG 4.41Å; F360-R364 WeakPolarHBondContact O-CD 3.21Å; F360-R364 PolarHBondContact O-N 3.05Å; F360-R364 VanDerWaalsContact O-N 3.13Å; L361-R364 PolarHBondContact O-N 3.09Å; F362-R364 VanDerWaalsContact C-N 3.34Å; F362-R364 PolarHBondContact O-N 3.04Å; R364-T420 HydrophobicContact CB-CG2 3.96Å; R364-T420 HydrophobicContact CG-CG2 3.9Å; R364-E424 IonicContact CZ-OE1 3.38Å; R364-E424 IonicContact CZ-OE2 3.91Å; R364-E424 IonicContact NE-OE1 3.8Å; R364-E424 PolarHBondContact NE-OE1 2.91Å; R364-E424 IonicContact NE-OE2 3.61Å; R364-E424 PolarHBondContact NE-OE2 2.91Å; R364-E424 VanDerWaalsContact NE-OE2 3.13Å; R364-E424 IonicContact NH2-OE1 2.6Å; R364-E424 PolarHBondContact NH2-OE1 3.12Å; R364-E424 IonicContact NH2-OE2 3.51Å; R364-E424 PolarHBondContact NH2-OE2 2.82Å
365T98.4Very high97.7Very high6 Ų639.5 Ų39.54%0.03720%0.2CC..Hα-helixtrans-63.5-47.4180-59.40000111.3R134 V136 A347 F348 L361 F362R134-T365 HydrophobicContact CB-CG2 4.16Å; V136-T365 WeakPolarHBondContact CB-O 3.49Å; V136-T365 HydrophobicContact CG2-CG2 4Å; V136-T365 PolarHBondContact N-O 2.87Å; A347-T365 WeakPolarHBondContact O-CG2 3.19Å; F348-T365 HydrophobicContact CB-CG2 4.2Å; L361-T365 VanDerWaalsContact O-CB 3.3Å; L361-T365 WeakPolarHBondContact O-CB 3.41Å; L361-T365 PolarHBondContact O-N 3.47Å; L361-T365 PolarHBondContact O-OG1 3.16Å; F362-T365 PolarHBondContact O-N 3.32Å
366F98.4Very high97.5Very high3 Ų342.1 Ų42.11%0.01321%0.212CC..Hα-helixtrans-102.32.5-174.4-65.1-74000113.9V136 F138 I146 Y237 I239 A347 F348 F362 L368V136-F366 HydrophobicContact CB-CD1 4.06Å; V136-F366 HydrophobicContact CB-CE1 4.25Å; V136-F366 HydrophobicContact CG1-CD1 4.16Å; V136-F366 HydrophobicContact CG1-CE1 4.25Å; V136-F366 HydrophobicContact CG2-CD1 4.5Å; V136-F366 HydrophobicContact CG2-CE1 4.25Å; F138-F366 HydrophobicContact CB-CB 4.33Å; F138-F366 HydrophobicContact CB-CD1 4.01Å; F138-F366 HydrophobicContact CD2-CD1 4.34Å; F138-F366 HydrophobicContact CG-CD1 4.17Å; I146-F366 HydrophobicContact CD1-CD1 4Å; I146-F366 HydrophobicContact CD1-CD2 4.47Å; I146-F366 HydrophobicContact CD1-CE1 4.04Å; I146-F366 HydrophobicContact CD1-CE2 4.49Å; I146-F366 HydrophobicContact CD1-CG 4.23Å; I146-F366 HydrophobicContact CD1-CZ 4.28Å; I146-F366 HydrophobicContact CG1-CD1 4.37Å; I146-F366 HydrophobicContact CG1-CE1 4Å; I146-F366 HydrophobicContact CG1-CZ 4.31Å; Y237-F366 HydrophobicContact CD2-CE1 4.4Å; Y237-F366 HydrophobicContact CG-CE1 4.13Å; I239-F366 HydrophobicContact CG2-CE2 3.9Å; I239-F366 HydrophobicContact CG2-CZ 3.65Å; A347-F366 HydrophobicContact CB-CE1 4.12Å; A347-F366 HydrophobicContact CB-CZ 3.73Å; F348-F366 HydrophobicContact CB-CE2 3.78Å; F348-F366 HydrophobicContact CB-CZ 4.3Å; F348-F366 HydrophobicContact CG-CE2 4.44Å; F362-F366 HydrophobicContact CD1-CD2 4.37Å; F362-F366 AromaticContact CD2-CD2 3.88Å; F362-F366 HydrophobicContact CD2-CD2 3.88Å; F362-F366 AromaticContact CD2-CE2 3.93Å; F362-F366 HydrophobicContact CD2-CE2 3.93Å; F362-F366 HydrophobicContact CE1-CD2 4.19Å; F362-F366 AromaticContact CE2-CD2 3.68Å; F362-F366 HydrophobicContact CE2-CD2 3.68Å; F362-F366 AromaticContact CE2-CE2 3.71Å; F362-F366 HydrophobicContact CE2-CE2 3.71Å; F362-F366 HydrophobicContact CG-CD2 4.23Å; F362-F366 AromaticContact CZ-CD2 3.84Å; F362-F366 HydrophobicContact CZ-CD2 3.84Å; F362-F366 HydrophobicContact CZ-CE2 4.28Å; F362-F366 PolarHBondContact O-N 3.4Å; F362-F366 VanDerWaalsContact O-N 3.13Å; F366-L368 HydrophobicContact CB-CB 4.44Å; F366-L368 HydrophobicContact CB-CD1 3.9Å; F366-L368 HydrophobicContact CB-CG 3.99Å; F366-L368 PolarHBondContact O-N 2.94Å
367N97.4Very high96.8Very high120 Ų12043.3 Ų43.364%0.64222%0.22SC*.THydrogen-bonded Turntrans49.941.3-170.2-165.433.2000113F135 E363F135-N367 HydrophobicContact CE2-CB 4.49Å; E363-N367 CarbonylContact O-C 3.4Å; E363-N367 WeakPolarHBondContact O-CA 3.28Å; E363-N367 PolarHBondContact O-N 3.05Å
368L97.4Very high95.7Very high23 Ų2347.4 Ų47.412%0.1224%0.243CC..  trans-111.5164.5177.1-68.1175000109.8F138 I167 L169 F362 E363 F366F138-L368 HydrophobicContact CD1-CD1 4.1Å; F138-L368 HydrophobicContact CE1-CD1 4.25Å; I167-L368 HydrophobicContact CD1-CD1 4.49Å; I167-L368 HydrophobicContact CG2-CB 4.24Å; I167-L368 HydrophobicContact CG2-CD1 4.28Å; I167-L368 HydrophobicContact CG2-CD2 4.43Å; L169-L368 HydrophobicContact CD2-CD2 4.34Å; F362-L368 HydrophobicContact CE1-CB 4.41Å; F362-L368 HydrophobicContact CE1-CD1 4.2Å; E363-L368 CarbonylContact C-O 3.56Å; E363-L368 WeakPolarHBondContact CA-O 3.42Å; E363-L368 WeakPolarHBondContact CB-O 3.49Å; E363-L368 VanDerWaalsContact CG-O 3.24Å; E363-L368 WeakPolarHBondContact CG-O 3.38Å; E363-L368 PolarHBondContact O-N 2.99Å; E363-L368 VanDerWaalsContact O-N 3.1Å; F366-L368 HydrophobicContact CB-CB 4.44Å; F366-L368 HydrophobicContact CB-CD1 3.9Å; F366-L368 HydrophobicContact CB-CG 3.99Å; F366-L368 PolarHBondContact O-N 2.94Å
369K97.9Very high94.5Very high86 Ų8654.2 Ų54.237%0.37428%0.278SS..  trans-129.3138.1176.4-64.6-66.4176.4176.30110.8R168 E363R168-K369 PolarHBondContact N-O 2.95Å; E363-K369 HydrophobicContact CB-CD 4.48Å; E363-K369 HydrophobicContact CG-CD 4.36Å; E363-K369 WeakPolarHBondContact OE2-CD 3.29Å; E363-K369 IonicContact OE2-NZ 3.27Å
370F98.3Very high93.4Very high11 Ų1154.9 Ų54.95%0.04828%0.284CS..BIsolated β-bridgetrans-81.5150.1167.4-66.9-81.5000110.6H162 N166 I167 Q359 F362 E363 F374H162-F370 HydrophobicContact CB-CD1 4.25Å; H162-F370 HydrophobicContact CB-CE1 3.83Å; N166-F370 HydrophobicContact CB-CD1 4.06Å; N166-F370 CarbonylContact O-C 3.59Å; N166-F370 WeakPolarHBondContact O-CA 3.35Å; N166-F370 WeakPolarHBondContact O-CB 3.48Å; N166-F370 WeakPolarHBondContact O-CD1 3.31Å; I167-F370 HydrophobicContact CD1-CE1 4.16Å; I167-F370 HydrophobicContact CG1-CD1 3.79Å; I167-F370 HydrophobicContact CG1-CE1 3.47Å; I167-F370 VanDerWaalsContact CG1-CE1 3.47Å; I167-F370 HydrophobicContact CG1-CZ 4.25Å; Q359-F370 HydrophobicContact CG-CB 4.44Å; Q359-F370 HydrophobicContact CG-CD2 3.48Å; Q359-F370 VanDerWaalsContact CG-CD2 3.48Å; Q359-F370 HydrophobicContact CG-CE2 4.08Å; Q359-F370 HydrophobicContact CG-CG 4.27Å; F362-F370 HydrophobicContact CB-CE2 4.12Å; F362-F370 HydrophobicContact CD1-CD2 4.44Å; F362-F370 AromaticContact CD1-CE2 3.32Å; F362-F370 HydrophobicContact CD1-CE2 3.32Å; F362-F370 AromaticContact CD1-CZ 3.41Å; F362-F370 HydrophobicContact CD1-CZ 3.41Å; F362-F370 VanDerWaalsContact CD1-CZ 3.41Å; F362-F370 AromaticContact CE1-CE2 3.98Å; F362-F370 HydrophobicContact CE1-CE2 3.98Å; F362-F370 AromaticContact CE1-CZ 3.65Å; F362-F370 HydrophobicContact CE1-CZ 3.65Å; F362-F370 AromaticContact CG-CE2 3.9Å; F362-F370 HydrophobicContact CG-CE2 3.9Å; F362-F370 AromaticContact CG-CZ 3.97Å; F362-F370 HydrophobicContact CG-CZ 3.97Å; F362-F370 HydrophobicContact CZ-CZ 4.37Å; E363-F370 HydrophobicContact CG-CD2 3.77Å; E363-F370 HydrophobicContact CG-CE2 4.21Å; E363-F370 PolarHBondContact OE1-N 3.35Å; F370-F374 HydrophobicContact CB-CE1 4.4Å; F370-F374 AromaticContact CD1-CE1 3.65Å; F370-F374 HydrophobicContact CD1-CE1 3.65Å; F370-F374 HydrophobicContact CD1-CZ 4.16Å; F370-F374 AromaticContact CD2-CE1 3.82Å; F370-F374 HydrophobicContact CD2-CE1 3.82Å; F370-F374 HydrophobicContact CD2-CZ 4.13Å; F370-F374 AromaticContact CE1-CE1 3.75Å; F370-F374 HydrophobicContact CE1-CE1 3.75Å; F370-F374 AromaticContact CE1-CZ 3.77Å; F370-F374 HydrophobicContact CE1-CZ 3.77Å; F370-F374 AromaticContact CE2-CE1 3.89Å; F370-F374 HydrophobicContact CE2-CE1 3.89Å; F370-F374 AromaticContact CE2-CZ 3.7Å; F370-F374 HydrophobicContact CE2-CZ 3.7Å; F370-F374 AromaticContact CG-CE1 3.68Å; F370-F374 HydrophobicContact CG-CE1 3.68Å; F370-F374 HydrophobicContact CG-CZ 4.33Å; F370-F374 AromaticContact CZ-CE1 3.86Å; F370-F374 HydrophobicContact CZ-CE1 3.86Å; F370-F374 AromaticContact CZ-CZ 3.52Å; F370-F374 HydrophobicContact CZ-CZ 3.52Å
371I98Very high92.4Very high94 Ų9461 Ų6148%0.48231%0.307SS..SBendtrans-76-53.9180-59166.4000109N166 R168N166-I371 PolarHBondContact O-N 3.18Å; R168-I371 HydrophobicContact CB-CG1 4.06Å
372S97.1Very high91.2Very high64 Ų6460.8 Ų60.845%0.44831%0.306SS..SBendtrans-106.3144176.4-58.40000110.8N166N166-S372 PolarHBondContact ND2-O 2.83Å; N166-S372 WeakPolarHBondContact OD1-CB 3.33Å; N166-S372 PolarHBondContact OD1-N 3.32Å
373P97.1Very high90.1Very high65 Ų6563.9 Ų63.942%0.42233%0.328SS..  trans-61.9150.6175.324.9-33.8000113
374F96.9Very high89.2Confident0 Ų068.6 Ų68.60%035%0.354CS..  trans-72.9144.7171.1-73.318.9000110.1F159 H162 Q355 R356 T358 Q359 F370F159-F374 AromaticContact CD2-CE2 3.83Å; F159-F374 HydrophobicContact CD2-CE2 3.83Å; F159-F374 HydrophobicContact CD2-CZ 4.13Å; F159-F374 HydrophobicContact CE2-CE2 4.04Å; F159-F374 HydrophobicContact CE2-CZ 4.19Å; H162-F374 HydrophobicContact CB-CE1 3.65Å; H162-F374 HydrophobicContact CB-CZ 3.66Å; H162-F374 AromaticContact CD2-CD1 3.83Å; H162-F374 AromaticContact CD2-CE1 3.53Å; H162-F374 AromaticContact CD2-CE2 3.96Å; H162-F374 AromaticContact CD2-CZ 3.6Å; H162-F374 AromaticContact CE1-CD1 3.7Å; H162-F374 AromaticContact CE1-CE1 3.92Å; H162-F374 AromaticContact CG-CD1 3.92Å; H162-F374 AromaticContact CG-CE1 3.33Å; H162-F374 AromaticContact CG-CZ 3.64Å; H162-F374 AromaticContact ND1-CD1 3.84Å; H162-F374 AromaticContact ND1-CE1 3.6Å; H162-F374 AromaticContact NE2-CD1 3.74Å; H162-F374 AromaticContact NE2-CE1 3.94Å; H162-F374 AromaticContact NE2-CG 3.98Å; Q355-F374 HydrophobicContact CB-CB 4.05Å; Q355-F374 WeakPolarHBondContact O-CD2 3.44Å; R356-F374 VanDerWaalsContact CD-O 3.23Å; R356-F374 WeakPolarHBondContact CD-O 3.36Å; R356-F374 PolarHBondContact NE-O 3.47Å; T358-F374 HydrophobicContact CG2-CE2 4.2Å; Q359-F374 HydrophobicContact CB-CB 4.23Å; Q359-F374 HydrophobicContact CB-CD1 4.09Å; Q359-F374 HydrophobicContact CB-CD2 3.87Å; Q359-F374 HydrophobicContact CB-CE1 4.41Å; Q359-F374 HydrophobicContact CB-CE2 4.19Å; Q359-F374 HydrophobicContact CB-CG 3.81Å; Q359-F374 HydrophobicContact CB-CZ 4.46Å; Q359-F374 HydrophobicContact CG-CD1 3.95Å; Q359-F374 HydrophobicContact CG-CE1 4.13Å; Q359-F374 HydrophobicContact CG-CG 4.18Å; F370-F374 HydrophobicContact CB-CE1 4.4Å; F370-F374 AromaticContact CD1-CE1 3.65Å; F370-F374 HydrophobicContact CD1-CE1 3.65Å; F370-F374 HydrophobicContact CD1-CZ 4.16Å; F370-F374 AromaticContact CD2-CE1 3.82Å; F370-F374 HydrophobicContact CD2-CE1 3.82Å; F370-F374 HydrophobicContact CD2-CZ 4.13Å; F370-F374 AromaticContact CE1-CE1 3.75Å; F370-F374 HydrophobicContact CE1-CE1 3.75Å; F370-F374 AromaticContact CE1-CZ 3.77Å; F370-F374 HydrophobicContact CE1-CZ 3.77Å; F370-F374 AromaticContact CE2-CE1 3.89Å; F370-F374 HydrophobicContact CE2-CE1 3.89Å; F370-F374 AromaticContact CE2-CZ 3.7Å; F370-F374 HydrophobicContact CE2-CZ 3.7Å; F370-F374 AromaticContact CG-CE1 3.68Å; F370-F374 HydrophobicContact CG-CE1 3.68Å; F370-F374 HydrophobicContact CG-CZ 4.33Å; F370-F374 AromaticContact CZ-CE1 3.86Å; F370-F374 HydrophobicContact CZ-CE1 3.86Å; F370-F374 AromaticContact CZ-CZ 3.52Å; F370-F374 HydrophobicContact CZ-CZ 3.52Å
375T93.1Very high88.5Confident69 Ų6966.6 Ų66.642%0.42335%0.349SS..  trans-113.8131.2-179.452.80000110.3F377T375-F377 WeakPolarHBondContact O-CD2 3.24Å; T375-F377 WeakPolarHBondContact OG1-CE2 3.37Å; T375-F377 WeakPolarHBondContact OG1-CZ 3.43Å
376Q92.4Very high87.8Confident70 Ų7075.7 Ų75.733%0.32739%0.39SS..  trans-78.8124.5177.4-172.462.141.700109.9T352 E353 N378T352-Q376 PolarHBondContact O-NE2 3.32Å; E353-Q376 PolarHBondContact O-OE1 3.39Å; Q376-N378 WeakPolarHBondContact CG-OD1 3.49Å; Q376-N378 PolarHBondContact NE2-OD1 2.7Å
377F82.5Confident87.4Confident137 Ų13777.7 Ų77.760%0.60140%0.401SS*.  trans-116.693175.7-63.7-72.8000109.4T375 T380T375-F377 WeakPolarHBondContact O-CD2 3.24Å; T375-F377 WeakPolarHBondContact OG1-CE2 3.37Å; T375-F377 WeakPolarHBondContact OG1-CZ 3.43Å; F377-T380 WeakPolarHBondContact O-CG2 3.23Å
378N75.1Confident87.2Confident117 Ų11777.5 Ų77.563%0.62640%0.4SS*.  trans-78.4-29.8-178.9-67.7-20.3000112.4Q376 T380 S383Q376-N378 WeakPolarHBondContact CG-OD1 3.49Å; Q376-N378 PolarHBondContact NE2-OD1 2.7Å; N378-T380 PolarHBondContact O-N 2.88Å; N378-T380 VanDerWaalsContact O-N 3.14Å; N378-S383 PolarHBondContact O-OG 3.24Å
379I72.4Confident87Confident143 Ų14382.6 Ų82.673%0.73342%0.423SS*.  trans-77.8101173.9-54174.4000108.6
380T77.4Confident86.9Confident37 Ų3780.8 Ų80.823%0.22743%0.428CS..  trans-121.2164.3176.771.80000110.5R243 F377 N378 A382 S383 N384R243-T380 PolarHBondContact NH2-OG1 3.15Å; F377-T380 WeakPolarHBondContact O-CG2 3.23Å; N378-T380 PolarHBondContact O-N 2.88Å; N378-T380 VanDerWaalsContact O-N 3.14Å; T380-A382 PolarHBondContact O-N 3.4Å; T380-A382 PolarHBondContact OG1-N 3.42Å; T380-S383 PolarHBondContact N-OG 3.29Å; T380-S383 PolarHBondContact O-N 3.19Å; T380-S383 PolarHBondContact O-OG 3.14Å; T380-S383 PolarHBondContact OG1-N 2.88Å; T380-N384 PolarHBondContact O-N 2.71Å; T380-N384 PolarHBondContact O-OD1 3.05Å
381R76.1Confident86.8Confident147 Ų14781.2 Ų81.256%0.55543%0.434SS*.THydrogen-bonded Turntrans-56.6-21.4172.5-70.9179.1179.3159.43.3113.9V385R381-V385 WeakPolarHBondContact O-CG2 3.38Å
382A74.9Confident86.7Confident4 Ų480.8 Ų80.83%0.03343%0.427CS..THydrogen-bonded Turntrans-83.8-37.3176.100000112.4S247 L250 T380 N384 V385S247-A382 VanDerWaalsContact O-CB 3.28Å; S247-A382 WeakPolarHBondContact O-CB 3.05Å; L250-A382 HydrophobicContact CB-CB 4.13Å; T380-A382 PolarHBondContact O-N 3.4Å; T380-A382 PolarHBondContact OG1-N 3.42Å; A382-N384 PolarHBondContact O-N 3.37Å; A382-V385 WeakPolarHBondContact O-CB 3.33Å; A382-V385 PolarHBondContact O-N 2.78Å; A382-V385 VanDerWaalsContact O-N 3.15Å
383S74.4Confident86.8Confident66 Ų6682.8 Ų82.846%0.46243%0.429SS..THydrogen-bonded Turntrans-69-22.9177.161.90000112.6N378 T380 V385N378-S383 PolarHBondContact O-OG 3.24Å; T380-S383 PolarHBondContact N-OG 3.29Å; T380-S383 PolarHBondContact O-N 3.19Å; T380-S383 PolarHBondContact O-OG 3.14Å; T380-S383 PolarHBondContact OG1-N 2.88Å; S383-V385 PolarHBondContact O-N 2.84Å
384N79.6Confident86.8Confident115 Ų11585.1 Ų85.162%0.61543%0.429SS*.THydrogen-bonded Turntrans-82.92.3175.6-63.47.6000112.9T380 A382T380-N384 PolarHBondContact O-N 2.71Å; T380-N384 PolarHBondContact O-OD1 3.05Å; A382-N384 PolarHBondContact O-N 3.37Å
385V83.4Confident86.9Confident22 Ų2285.1 Ų85.113%0.13343%0.429CS..  trans-92.6110.4173.6-174.20000107.9L250 W253 K254 R381 A382 S383 I387L250-V385 HydrophobicContact CD2-CG1 4.4Å; W253-V385 HydrophobicContact CH2-CG1 4.45Å; W253-V385 HydrophobicContact CZ3-CG1 3.69Å; W253-V385 HydrophobicContact CZ3-CG2 4.1Å; K254-V385 HydrophobicContact CD-CG2 4.36Å; K254-V385 HydrophobicContact CG-CG2 3.98Å; R381-V385 WeakPolarHBondContact O-CG2 3.38Å; A382-V385 WeakPolarHBondContact O-CB 3.33Å; A382-V385 PolarHBondContact O-N 2.78Å; A382-V385 VanDerWaalsContact O-N 3.15Å; S383-V385 PolarHBondContact O-N 2.84Å; V385-I387 HydrophobicContact CG1-CG2 3.62Å; V385-I387 PolarHBondContact O-N 3.13Å
386E83.6Confident87.1Confident196 Ų19684.4 Ų84.492%0.91642%0.421SS*.  trans-75119.5165.2-67.6176.5-172.200108.5
387I90.2Very high87.4Confident46 Ų4685.4 Ų85.424%0.23643%0.426CS..  trans-121.3143.8172.459.1168.8000108.7V246 L250 L293 V385 A391 R392 I395V246-I387 HydrophobicContact CG1-CD1 4.19Å; L250-I387 HydrophobicContact CD1-CD1 4.01Å; L250-I387 HydrophobicContact CD1-CG2 4.44Å; L250-I387 HydrophobicContact CD2-CG2 4.08Å; L293-I387 HydrophobicContact CD2-CG2 3.88Å; V385-I387 HydrophobicContact CG1-CG2 3.62Å; V385-I387 PolarHBondContact O-N 3.13Å; I387-A391 HydrophobicContact CB-CB 4.26Å; I387-R392 HydrophobicContact CD1-CB 3.78Å; I387-I395 HydrophobicContact CD1-CD1 4.16Å
388N92.4Very high88.2Confident115 Ų11580.1 Ų80.162%0.61540%0.404SS*.  trans-75.4165.5171.666.419.7000110.6G390 A391 R392N388-G390 VanDerWaalsContact C-N 3.29Å; N388-G390 PolarHBondContact O-N 2.94Å; N388-A391 PolarHBondContact O-N 2.89Å; N388-A391 WeakPolarHBondContact OD1-CB 3.47Å; N388-A391 PolarHBondContact OD1-N 3.1Å; N388-R392 PolarHBondContact O-N 3.21Å
389E93.8Very high89.3Confident131 Ų13174.6 Ų74.661%0.61237%0.374SS*.Hα-helixtrans-61.2-38-176.6-166.156.1-143.100112.4A391 R392 Q393E389-A391 PolarHBondContact O-N 2.98Å; E389-R392 WeakPolarHBondContact O-CB 3.41Å; E389-R392 PolarHBondContact O-N 2.71Å; E389-Q393 PolarHBondContact O-N 3.34Å
390G96.3Very high90.6Very high47 Ų4771.3 Ų71.349%0.48536%0.355SS..Hα-helixtrans-62.1-40.517700000113.1N388 R394N388-G390 VanDerWaalsContact C-N 3.29Å; N388-G390 PolarHBondContact O-N 2.94Å; G390-R394 WeakPolarHBondContact O-CB 3.24Å; G390-R394 PolarHBondContact O-N 3.32Å
391A95.6Very high91.6Very high21 Ų2169.8 Ų69.817%0.17435%0.345CS..Hα-helixtrans-68.4-38.417500000111.5I387 N388 E389 R394 I395I387-A391 HydrophobicContact CB-CB 4.26Å; N388-A391 PolarHBondContact O-N 2.89Å; N388-A391 WeakPolarHBondContact OD1-CB 3.47Å; N388-A391 PolarHBondContact OD1-N 3.1Å; E389-A391 PolarHBondContact O-N 2.98Å; A391-R394 PolarHBondContact O-N 3.23Å; A391-I395 WeakPolarHBondContact O-CD1 3.27Å; A391-I395 VanDerWaalsContact O-CG1 3.24Å; A391-I395 WeakPolarHBondContact O-CG1 3.25Å; A391-I395 PolarHBondContact O-N 3.1Å
392R96.9Very high92.7Very high85 Ų8562.8 Ų62.832%0.32132%0.319SS..Hα-helixtrans-58.8-54.5173.4168.7178.2-97.8-82.34.7110.7I387 N388 E389 R394 I395 E396I387-R392 HydrophobicContact CD1-CB 3.78Å; N388-R392 PolarHBondContact O-N 3.21Å; E389-R392 WeakPolarHBondContact O-CB 3.41Å; E389-R392 PolarHBondContact O-N 2.71Å; R392-R394 VanDerWaalsContact C-N 3.28Å; R392-R394 PolarHBondContact O-N 3.44Å; R392-I395 WeakPolarHBondContact O-CB 3.19Å; R392-I395 PolarHBondContact O-N 3.16Å; R392-E396 HydrophobicContact CG-CG 4.49Å; R392-E396 WeakPolarHBondContact CG-OE1 3.5Å; R392-E396 IonicContact CZ-OE1 3.37Å; R392-E396 IonicContact NH1-OE1 3.69Å; R392-E396 PolarHBondContact NH1-OE1 3.49Å; R392-E396 WeakPolarHBondContact O-CG 3.17Å; R392-E396 PolarHBondContact O-N 2.75Å
393Q97.9Very high93.8Very high106 Ų10665.2 Ų65.250%0.49533%0.33SS..Hα-helixtrans-56.5-44.3-179.9-176179.1-2.700111.2E389 I395 E396 E397E389-Q393 PolarHBondContact O-N 3.34Å; Q393-I395 VanDerWaalsContact C-N 3.34Å; Q393-I395 PolarHBondContact O-N 2.87Å; Q393-E396 WeakPolarHBondContact O-CB 3.39Å; Q393-E396 PolarHBondContact O-N 3.23Å; Q393-E396 VanDerWaalsContact O-N 3.16Å; Q393-E397 WeakPolarHBondContact O-CG 3.35Å; Q393-E397 PolarHBondContact O-N 2.94Å
394R98.1Very high95Very high113 Ų11365.9 Ų65.943%0.42633%0.326SS..Hα-helixtrans-64.4-36.2177.6-177.260.8176.9179.5-0.4113.1M297 G390 A391 R392 E397 L398M297-R394 HydrophobicContact CE-CB 3.47Å; M297-R394 VanDerWaalsContact CE-CB 3.47Å; M297-R394 HydrophobicContact CE-CG 3.14Å; G390-R394 WeakPolarHBondContact O-CB 3.24Å; G390-R394 PolarHBondContact O-N 3.32Å; A391-R394 PolarHBondContact O-N 3.23Å; R392-R394 VanDerWaalsContact C-N 3.28Å; R392-R394 PolarHBondContact O-N 3.44Å; R394-E397 WeakPolarHBondContact CD-OE2 3.5Å; R394-E397 IonicContact NH1-OE2 2.78Å; R394-E397 PolarHBondContact NH1-OE2 3.03Å; R394-E397 PolarHBondContact O-N 3.29Å; R394-L398 WeakPolarHBondContact O-CG 3.5Å; R394-L398 PolarHBondContact O-N 2.93Å
395I98.5Very high95.9Very high0 Ų060.4 Ų60.40%030%0.297CS..Hα-helixtrans-66.6-40.6173.8-68.6164.8000110.5V246 Y249 L250 L293 M297 I387 A391 R392 Q393 E397 L398 N399V246-I395 HydrophobicContact CB-CG2 4.34Å; V246-I395 HydrophobicContact CG1-CG2 4.24Å; V246-I395 HydrophobicContact CG2-CG2 4.17Å; Y249-I395 HydrophobicContact CD1-CD1 4.3Å; Y249-I395 HydrophobicContact CD1-CG1 4.04Å; Y249-I395 HydrophobicContact CD1-CG2 3.75Å; Y249-I395 HydrophobicContact CE1-CG1 4.17Å; Y249-I395 HydrophobicContact CE1-CG2 4.47Å; Y249-I395 HydrophobicContact CG-CG2 3.89Å; L250-I395 HydrophobicContact CD2-CD1 3.66Å; L250-I395 HydrophobicContact CG-CD1 4.19Å; L293-I395 HydrophobicContact CD1-CD1 4.45Å; M297-I395 HydrophobicContact CE-CG1 3.76Å; M297-I395 HydrophobicContact CG-CG1 4.47Å; M297-I395 HydrophobicContact SD-CD1 4.27Å; M297-I395 HydrophobicContact SD-CG1 3.79Å; I387-I395 HydrophobicContact CD1-CD1 4.16Å; A391-I395 WeakPolarHBondContact O-CD1 3.27Å; A391-I395 VanDerWaalsContact O-CG1 3.24Å; A391-I395 WeakPolarHBondContact O-CG1 3.25Å; A391-I395 PolarHBondContact O-N 3.1Å; R392-I395 WeakPolarHBondContact O-CB 3.19Å; R392-I395 PolarHBondContact O-N 3.16Å; Q393-I395 VanDerWaalsContact C-N 3.34Å; Q393-I395 PolarHBondContact O-N 2.87Å; I395-E397 VanDerWaalsContact C-N 3.35Å; I395-L398 PolarHBondContact O-N 3.36Å; I395-N399 WeakPolarHBondContact O-CB 3.28Å; I395-N399 PolarHBondContact O-N 2.79Å; I395-N399 PolarHBondContact O-ND2 2.77Å
396E98.5Very high96.6Very high55 Ų5560.2 Ų60.226%0.25729%0.294SS..Hα-helixtrans-62-42.5175.7-67.9174.2-178.400111.2V246 R392 Q393 N399 F400 M403V246-E396 HydrophobicContact CG2-CG 3.54Å; R392-E396 HydrophobicContact CG-CG 4.49Å; R392-E396 WeakPolarHBondContact CG-OE1 3.5Å; R392-E396 IonicContact CZ-OE1 3.37Å; R392-E396 IonicContact NH1-OE1 3.69Å; R392-E396 PolarHBondContact NH1-OE1 3.49Å; R392-E396 WeakPolarHBondContact O-CG 3.17Å; R392-E396 PolarHBondContact O-N 2.75Å; Q393-E396 WeakPolarHBondContact O-CB 3.39Å; Q393-E396 PolarHBondContact O-N 3.23Å; Q393-E396 VanDerWaalsContact O-N 3.16Å; E396-N399 CarbonylContact O-C 3.27Å; E396-N399 PolarHBondContact O-N 3.11Å; E396-N399 VanDerWaalsContact O-N 3.17Å; E396-F400 VanDerWaalsContact O-CA 3.31Å; E396-F400 WeakPolarHBondContact O-CA 3.35Å; E396-F400 PolarHBondContact O-N 3.34Å; E396-M403 HydrophobicContact CB-CG 4.39Å; E396-M403 HydrophobicContact CG-CE 3.98Å; E396-M403 HydrophobicContact CG-SD 4.18Å
397E98.4Very high97.4Very high91 Ų9154.4 Ų54.443%0.42527%0.266SS..Hα-helixtrans-60.5-47173.4-72.4169.3-170.600112.3Q393 R394 I395 N399 F400Q393-E397 WeakPolarHBondContact O-CG 3.35Å; Q393-E397 PolarHBondContact O-N 2.94Å; R394-E397 WeakPolarHBondContact CD-OE2 3.5Å; R394-E397 IonicContact NH1-OE2 2.78Å; R394-E397 PolarHBondContact NH1-OE2 3.03Å; R394-E397 PolarHBondContact O-N 3.29Å; I395-E397 VanDerWaalsContact C-N 3.35Å; E397-N399 PolarHBondContact O-N 2.67Å; E397-F400 VanDerWaalsContact O-CD1 3.25Å; E397-F400 WeakPolarHBondContact O-CD1 3.05Å; E397-F400 PolarHBondContact O-N 3.31Å
398L98.6Very high97.8Very high26 Ų2653.4 Ų53.414%0.13626%0.26CS..Hα-helixtrans-64.3-21.8177-72171.5000113M297 N306 R394 I395M297-L398 HydrophobicContact CB-CD1 3.74Å; M297-L398 HydrophobicContact CE-CD1 4.28Å; M297-L398 HydrophobicContact CG-CD1 3.87Å; N306-L398 PolarHBondContact ND2-O 2.7Å; R394-L398 WeakPolarHBondContact O-CG 3.5Å; R394-L398 PolarHBondContact O-N 2.93Å; I395-L398 PolarHBondContact O-N 3.36Å
399N98.8Very high98.1Very high0 Ų047.9 Ų47.90%023%0.231CC..THydrogen-bonded Turntrans-118.927.1-176.8-65.9-91.1000112P245 R248 Y249 A304 N306 I395 E396 E397 L401 D402 M403P245-N399 HydrophobicContact CB-CB 4.16Å; R248-N399 PolarHBondContact NH2-OD1 3.43Å; Y249-N399 WeakPolarHBondContact CD2-ND2 3.3Å; A304-N399 PolarHBondContact O-OD1 3.18Å; N306-N399 PolarHBondContact N-OD1 3.14Å; N306-N399 WeakPolarHBondContact OD1-CA 3.38Å; N306-N399 PolarHBondContact OD1-O 3.28Å; I395-N399 WeakPolarHBondContact O-CB 3.28Å; I395-N399 PolarHBondContact O-N 2.79Å; I395-N399 PolarHBondContact O-ND2 2.77Å; E396-N399 CarbonylContact O-C 3.27Å; E396-N399 PolarHBondContact O-N 3.11Å; E396-N399 VanDerWaalsContact O-N 3.17Å; E397-N399 PolarHBondContact O-N 2.67Å; N399-L401 VanDerWaalsContact C-N 3.25Å; N399-L401 PolarHBondContact O-N 2.96Å; N399-L401 VanDerWaalsContact O-N 3.16Å; N399-D402 HydrophobicContact CB-CB 4.12Å; N399-D402 CarbonylContact O-C 3.55Å; N399-D402 WeakPolarHBondContact O-CA 3.48Å; N399-D402 WeakPolarHBondContact O-CB 3.12Å; N399-D402 PolarHBondContact O-N 3.34Å; N399-M403 WeakPolarHBondContact O-CG 3.3Å; N399-M403 PolarHBondContact O-N 2.64Å
400F98.8Very high98.3Very high74 Ų7445.7 Ų45.733%0.32522%0.219SC..Hα-helixtrans-61.1-28.7-171.375-79.8000114.2N306 N332 E396 E397 Q404N306-F400 PolarHBondContact OD1-N 3.48Å; N332-F400 HydrophobicContact CB-CZ 4.34Å; N332-F400 WeakPolarHBondContact ND2-CZ 3.39Å; E396-F400 VanDerWaalsContact O-CA 3.31Å; E396-F400 WeakPolarHBondContact O-CA 3.35Å; E396-F400 PolarHBondContact O-N 3.34Å; E397-F400 VanDerWaalsContact O-CD1 3.25Å; E397-F400 WeakPolarHBondContact O-CD1 3.05Å; E397-F400 PolarHBondContact O-N 3.31Å; F400-Q404 WeakPolarHBondContact O-CG 3.29Å; F400-Q404 PolarHBondContact O-N 3.19Å; F400-Q404 PolarHBondContact O-NE2 3.33Å
401L98.9Very high98.4Very high6 Ų643.7 Ų43.73%0.03120%0.197CC..Hα-helixtrans-73.8-43.3172.9-56.9175.3000110.4N306 V309 N332 L336 N399 M403 Q404 L405N306-L401 HydrophobicContact CB-CB 4.23Å; N306-L401 HydrophobicContact CB-CD1 4.31Å; N306-L401 WeakPolarHBondContact OD1-CA 3.31Å; N306-L401 WeakPolarHBondContact OD1-CB 3.22Å; N306-L401 PolarHBondContact OD1-N 3.03Å; V309-L401 HydrophobicContact CB-CB 4.16Å; V309-L401 HydrophobicContact CG1-CB 4.17Å; V309-L401 HydrophobicContact CG1-CD1 4.26Å; V309-L401 HydrophobicContact CG2-CB 3.81Å; V309-L401 WeakPolarHBondContact CG2-O 3.23Å; N332-L401 HydrophobicContact CB-CD1 4.25Å; N332-L401 HydrophobicContact CB-CD2 4.01Å; L336-L401 HydrophobicContact CB-CD2 4.32Å; N399-L401 VanDerWaalsContact C-N 3.25Å; N399-L401 PolarHBondContact O-N 2.96Å; N399-L401 VanDerWaalsContact O-N 3.16Å; L401-M403 VanDerWaalsContact C-N 3.26Å; L401-M403 PolarHBondContact O-N 3.44Å; L401-Q404 PolarHBondContact O-N 2.88Å; L401-L405 WeakPolarHBondContact O-CB 3.44Å; L401-L405 PolarHBondContact O-N 3.05Å
402D98.9Very high98.6Very high0 Ų042.7 Ų42.70%019%0.189CC..Hα-helixtrans-60.9-36.3175-94.829.9000111.2P245 R248 N306 R307 Q308 V309 N399 L405 Y406P245-D402 HydrophobicContact CB-CB 3.87Å; P245-D402 VanDerWaalsContact CG-C 3.46Å; P245-D402 HydrophobicContact CG-CB 3.82Å; P245-D402 WeakPolarHBondContact CG-O 3.06Å; R248-D402 IonicContact NE-OD2 3.66Å; N306-D402 VanDerWaalsContact CA-OD1 3.29Å; N306-D402 WeakPolarHBondContact CA-OD1 3.3Å; N306-D402 PolarHBondContact OD1-N 2.94Å; N306-D402 VanDerWaalsContact OD1-N 3.13Å; R307-D402 PolarHBondContact N-OD2 3.07Å; Q308-D402 WeakPolarHBondContact CB-OD2 3.34Å; Q308-D402 WeakPolarHBondContact CG-OD2 3.47Å; Q308-D402 PolarHBondContact N-OD1 3.26Å; Q308-D402 PolarHBondContact N-OD2 3.09Å; Q308-D402 PolarHBondContact NE2-OD2 2.82Å; V309-D402 PolarHBondContact N-OD1 3.26Å; N399-D402 HydrophobicContact CB-CB 4.12Å; N399-D402 CarbonylContact O-C 3.55Å; N399-D402 WeakPolarHBondContact O-CA 3.48Å; N399-D402 WeakPolarHBondContact O-CB 3.12Å; N399-D402 PolarHBondContact O-N 3.34Å; D402-L405 PolarHBondContact O-N 3.44Å; D402-Y406 WeakPolarHBondContact O-CB 3.47Å; D402-Y406 PolarHBondContact O-N 3.46Å
403M98.9Very high98.7Very high55 Ų5538.7 Ų38.727%0.27117%0.174SC..Hα-helixtrans-60.5-50.3174.2-68.3-57.4-71.500111.2P245 V246 E396 N399 L401 L405 Y406 E407P245-M403 HydrophobicContact CB-CG 4.48Å; P245-M403 HydrophobicContact CB-SD 3.68Å; P245-M403 HydrophobicContact CG-CG 4.43Å; P245-M403 HydrophobicContact CG-SD 3.62Å; V246-M403 HydrophobicContact CG2-SD 4.45Å; E396-M403 HydrophobicContact CB-CG 4.39Å; E396-M403 HydrophobicContact CG-CE 3.98Å; E396-M403 HydrophobicContact CG-SD 4.18Å; N399-M403 WeakPolarHBondContact O-CG 3.3Å; N399-M403 PolarHBondContact O-N 2.64Å; L401-M403 VanDerWaalsContact C-N 3.26Å; L401-M403 PolarHBondContact O-N 3.44Å; M403-L405 PolarHBondContact O-N 3.15Å; M403-Y406 PolarHBondContact O-N 3.36Å; M403-E407 WeakPolarHBondContact O-CB 3.39Å; M403-E407 PolarHBondContact O-N 3.06Å
404Q98.8Very high98.7Very high79 Ų7934.9 Ų34.937%0.36916%0.156SC..Hα-helixtrans-66-37.4177.8-70175.173.100113L336 F400 L401 Y408L336-Q404 HydrophobicContact CD1-CB 4.09Å; L336-Q404 HydrophobicContact CD2-CB 3.86Å; L336-Q404 HydrophobicContact CD2-CG 4.46Å; L336-Q404 VanDerWaalsContact CD2-OE1 3.28Å; F400-Q404 WeakPolarHBondContact O-CG 3.29Å; F400-Q404 PolarHBondContact O-N 3.19Å; F400-Q404 PolarHBondContact O-NE2 3.33Å; L401-Q404 PolarHBondContact O-N 2.88Å; Q404-Y408 WeakPolarHBondContact O-CB 3.49Å; Q404-Y408 PolarHBondContact O-N 3.35Å
405L98.9Very high98.7Very high1 Ų130.5 Ų30.51%0.00514%0.14CC..Hα-helixtrans-66.3-44.9175.1176.767.3000110.7Q308 V309 L312 L336 A339 K340 L343 L401 D402 M403 Y408 A409Q308-L405 HydrophobicContact CB-CD2 4.04Å; V309-L405 HydrophobicContact CB-CD2 4.41Å; V309-L405 HydrophobicContact CG2-CB 3.57Å; V309-L405 HydrophobicContact CG2-CD2 3.54Å; V309-L405 HydrophobicContact CG2-CG 4.12Å; L312-L405 HydrophobicContact CD1-CD2 3.87Å; L336-L405 HydrophobicContact CD1-CB 4Å; A339-L405 HydrophobicContact CB-CD1 4.17Å; A339-L405 HydrophobicContact CB-CD2 4.28Å; K340-L405 HydrophobicContact CG-CD1 3.87Å; L343-L405 HydrophobicContact CD2-CD1 4.09Å; L401-L405 WeakPolarHBondContact O-CB 3.44Å; L401-L405 PolarHBondContact O-N 3.05Å; D402-L405 PolarHBondContact O-N 3.44Å; M403-L405 PolarHBondContact O-N 3.15Å; L405-Y408 PolarHBondContact O-N 3Å; L405-A409 VanDerWaalsContact O-CB 3.25Å; L405-A409 WeakPolarHBondContact O-CB 3.33Å; L405-A409 PolarHBondContact O-N 2.86Å
406Y98.8Very high98.7Very high17 Ų1731 Ų317%0.06714%0.142CC..Hα-helixtrans-68.7-38.8-176.7-173.1-100000111.9L242 R243 D244 P245 L351 E353 D402 M403 A409 K410L242-Y406 HydrophobicContact CB-CD2 4.33Å; L242-Y406 HydrophobicContact CB-CE2 4.4Å; R243-Y406 VanDerWaalsContact C-CD2 3.49Å; R243-Y406 WeakPolarHBondContact O-CD2 3.37Å; D244-Y406 HydrophobicContact CB-CE1 4.09Å; P245-Y406 HydrophobicContact CG-CG 4.36Å; L351-Y406 HydrophobicContact CD2-CE2 3.96Å; E353-Y406 VanDerWaalsContact OE1-CZ 3.27Å; E353-Y406 PolarHBondContact OE1-OH 3.22Å; E353-Y406 PolarHBondContact OE2-OH 3.28Å; D402-Y406 WeakPolarHBondContact O-CB 3.47Å; D402-Y406 PolarHBondContact O-N 3.46Å; M403-Y406 PolarHBondContact O-N 3.36Å; Y406-A409 PolarHBondContact O-N 3.13Å; Y406-K410 HydrophobicContact CE1-CB 4.46Å; Y406-K410 HydrophobicContact CE1-CD 4.17Å; Y406-K410 WeakPolarHBondContact O-CB 3.43Å; Y406-K410 PolarHBondContact O-N 3.28Å
407E98.6Very high98.6Very high74 Ų7429.2 Ų29.235%0.34613%0.133SC..Hα-helixtrans-57-51172-176.7-175.3-16900111.4R124 F125 M403 A409 K410 D411R124-E407 WeakPolarHBondContact CD-OE1 3.28Å; R124-E407 IonicContact CZ-OE1 3.81Å; R124-E407 IonicContact NE-OE1 3.74Å; R124-E407 IonicContact NH1-OE1 2.74Å; R124-E407 PolarHBondContact NH1-OE1 2.82Å; F125-E407 HydrophobicContact CE2-CG 4.33Å; M403-E407 WeakPolarHBondContact O-CB 3.39Å; M403-E407 PolarHBondContact O-N 3.06Å; E407-A409 PolarHBondContact O-N 3.19Å; E407-K410 PolarHBondContact O-N 3.12Å; E407-D411 PolarHBondContact O-N 2.84Å; E407-D411 VanDerWaalsContact O-N 3.07Å
408Y98.8Very high98.5Very high25 Ų2527.9 Ų27.910%0.09813%0.127CC..Hα-helixtrans-59.6-45.2176.2173.7-90.6000112.3F125 F127 K340 K344 Q404 L405 D411 L412F125-Y408 HydrophobicContact CD1-CD2 4.39Å; F125-Y408 HydrophobicContact CD2-CD2 4.22Å; F125-Y408 HydrophobicContact CE2-CD2 4.37Å; F125-Y408 HydrophobicContact CG-CD2 4.26Å; F127-Y408 HydrophobicContact CE1-CD2 4.23Å; F127-Y408 HydrophobicContact CE1-CE1 4.45Å; F127-Y408 AromaticContact CE1-CE2 3.4Å; F127-Y408 HydrophobicContact CE1-CE2 3.4Å; F127-Y408 AromaticContact CE1-CZ 3.53Å; F127-Y408 WeakPolarHBondContact CE1-OH 3.25Å; F127-Y408 AromaticContact CZ-CD2 3.91Å; F127-Y408 HydrophobicContact CZ-CD2 3.91Å; F127-Y408 AromaticContact CZ-CE2 3.55Å; F127-Y408 HydrophobicContact CZ-CE2 3.55Å; F127-Y408 AromaticContact CZ-CZ 3.89Å; K340-Y408 HydrophobicContact CB-CD1 4.2Å; K340-Y408 HydrophobicContact CB-CE1 3.89Å; K340-Y408 HydrophobicContact CD-CD1 4.14Å; K340-Y408 HydrophobicContact CD-CD2 3.99Å; K340-Y408 HydrophobicContact CD-CE1 4.43Å; K340-Y408 HydrophobicContact CD-CE2 4.27Å; K340-Y408 HydrophobicContact CD-CG 3.89Å; K340-Y408 HydrophobicContact CG-CD1 3.72Å; K340-Y408 HydrophobicContact CG-CD2 4.47Å; K340-Y408 HydrophobicContact CG-CE1 3.95Å; K340-Y408 HydrophobicContact CG-CG 3.99Å; K344-Y408 WeakPolarHBondContact CD-OH 3.39Å; Q404-Y408 WeakPolarHBondContact O-CB 3.49Å; Q404-Y408 PolarHBondContact O-N 3.35Å; L405-Y408 PolarHBondContact O-N 3Å; Y408-D411 PolarHBondContact O-N 3.41Å; Y408-L412 HydrophobicContact CE1-CD2 4.32Å; Y408-L412 WeakPolarHBondContact O-CB 3.44Å; Y408-L412 PolarHBondContact O-N 3Å
409A98.8Very high98.4Very high0 Ų028 Ų280%013%0.127CC..Hα-helixtrans-66-39.5-18000000112.2L242 L343 F349 L405 Y406 E407 F413L242-A409 HydrophobicContact CD1-CB 3.6Å; L343-A409 HydrophobicContact CD2-CB 3.59Å; F349-A409 HydrophobicContact CE2-CB 4.04Å; F349-A409 HydrophobicContact CZ-CB 4.37Å; L405-A409 VanDerWaalsContact O-CB 3.25Å; L405-A409 WeakPolarHBondContact O-CB 3.33Å; L405-A409 PolarHBondContact O-N 2.86Å; Y406-A409 PolarHBondContact O-N 3.13Å; E407-A409 PolarHBondContact O-N 3.19Å; A409-F413 WeakPolarHBondContact O-CB 3.25Å; A409-F413 PolarHBondContact O-N 3.32Å
410K98.7Very high98.3Very high84 Ų8429.3 Ų29.337%0.36514%0.135SC..Hα-helixtrans-64.5-45.7178.1-174.8177.6178.6-178.40111.3L351 F354 Y406 E407 F413 Q414L351-K410 HydrophobicContact CD1-CB 4.26Å; L351-K410 HydrophobicContact CD1-CG 4.3Å; F354-K410 HydrophobicContact CE2-CG 4.37Å; Y406-K410 HydrophobicContact CE1-CB 4.46Å; Y406-K410 HydrophobicContact CE1-CD 4.17Å; Y406-K410 WeakPolarHBondContact O-CB 3.43Å; Y406-K410 PolarHBondContact O-N 3.28Å; E407-K410 PolarHBondContact O-N 3.12Å; K410-F413 PolarHBondContact O-N 2.04Å; K410-Q414 WeakPolarHBondContact O-CB 3.3Å; K410-Q414 WeakPolarHBondContact O-CG 3.34Å; K410-Q414 PolarHBondContact O-N 3.19Å
411D98.6Very high98.1Very high5 Ų528.7 Ų28.73%0.02713%0.132CC..Hα-helixtrans-63.2-49.8176.3-17440.2000111.6F121 P123 R124 F125 F127 E407 Y408 F413 Q414 Q415F121-D411 WeakPolarHBondContact CZ-OD1 3.38Å; P123-D411 WeakPolarHBondContact CA-OD1 3.44Å; R124-D411 PolarHBondContact N-OD1 2.68Å; R124-D411 VanDerWaalsContact N-OD1 3.15Å; R124-D411 PolarHBondContact N-OD2 2.98Å; R124-D411 VanDerWaalsContact N-OD2 3.13Å; F125-D411 WeakPolarHBondContact CA-OD2 3.18Å; F125-D411 WeakPolarHBondContact CB-OD2 3.47Å; F125-D411 HydrophobicContact CD2-CB 3.94Å; F125-D411 VanDerWaalsContact CD2-OD2 3.24Å; F125-D411 WeakPolarHBondContact CD2-OD2 3.47Å; F125-D411 HydrophobicContact CE2-CB 4.5Å; F125-D411 PolarHBondContact N-OD2 3.26Å; F127-D411 HydrophobicContact CE2-CB 4.42Å; E407-D411 PolarHBondContact O-N 2.84Å; E407-D411 VanDerWaalsContact O-N 3.07Å; Y408-D411 PolarHBondContact O-N 3.41Å; D411-F413 VanDerWaalsContact C-N 3.32Å; D411-F413 PolarHBondContact O-N 3.25Å; D411-Q414 PolarHBondContact O-N 2.96Å; D411-Q415 WeakPolarHBondContact O-CG 3.39Å; D411-Q415 PolarHBondContact O-N 2.67Å; D411-Q415 PolarHBondContact OD1-NE2 3.2Å; D411-Q415 PolarHBondContact OD2-NE2 2.91Å
412L98.8Very high97.8Very high0 Ų034 Ų340%016%0.156CC..Hα-helixtrans-57.4-44.8176.3178.257.4000112.1F127 D131 L132 K344 F349 Y408 Q415 R416F127-L412 HydrophobicContact CB-CD1 4.46Å; F127-L412 HydrophobicContact CD1-CD1 3.86Å; F127-L412 HydrophobicContact CD2-CB 4.27Å; F127-L412 HydrophobicContact CD2-CD1 3.85Å; F127-L412 HydrophobicContact CE1-CB 4.25Å; F127-L412 HydrophobicContact CE1-CD1 4.04Å; F127-L412 HydrophobicContact CE1-CG 4.5Å; F127-L412 VanDerWaalsContact CE2-CA 3.43Å; F127-L412 HydrophobicContact CE2-CB 3.63Å; F127-L412 HydrophobicContact CE2-CD1 4.05Å; F127-L412 HydrophobicContact CE2-CG 4.42Å; F127-L412 HydrophobicContact CG-CD1 3.78Å; F127-L412 HydrophobicContact CZ-CB 3.62Å; F127-L412 HydrophobicContact CZ-CD1 4.15Å; F127-L412 HydrophobicContact CZ-CG 4.33Å; D131-L412 HydrophobicContact CB-CD1 4.49Å; L132-L412 HydrophobicContact CD2-CD1 4.07Å; K344-L412 HydrophobicContact CB-CD2 4.24Å; K344-L412 HydrophobicContact CG-CD2 4.07Å; F349-L412 HydrophobicContact CE1-CD2 3.88Å; F349-L412 HydrophobicContact CE1-CG 4.29Å; F349-L412 HydrophobicContact CZ-CB 4.36Å; F349-L412 HydrophobicContact CZ-CD2 4.08Å; F349-L412 HydrophobicContact CZ-CG 4.18Å; Y408-L412 HydrophobicContact CE1-CD2 4.32Å; Y408-L412 WeakPolarHBondContact O-CB 3.44Å; Y408-L412 PolarHBondContact O-N 3Å; L412-Q415 PolarHBondContact O-N 3.24Å; L412-R416 HydrophobicContact CD1-CG 4.2Å; L412-R416 WeakPolarHBondContact O-CB 3.28Å; L412-R416 VanDerWaalsContact O-CG 3.26Å; L412-R416 WeakPolarHBondContact O-CG 3.39Å; L412-R416 PolarHBondContact O-N 3.36Å
413F98.7Very high97.5Very high1 Ų137.3 Ų37.30%0.00417%0.174CC..Hα-helixtrans-63.7-45.2180178.3-92.4000111.9F349 L351 F354 K357 L361 A409 K410 D411 R416 Y417F349-F413 HydrophobicContact CD2-CD2 4.44Å; F349-F413 HydrophobicContact CE2-CB 3.84Å; F349-F413 HydrophobicContact CE2-CD2 4.16Å; F349-F413 HydrophobicContact CE2-CG 4.45Å; F349-F413 HydrophobicContact CZ-CB 4.06Å; F349-F413 WeakPolarHBondContact O-CD2 3.4Å; L351-F413 HydrophobicContact CD1-CB 3.75Å; L351-F413 HydrophobicContact CD1-CD1 3.57Å; L351-F413 HydrophobicContact CD1-CD2 4.38Å; L351-F413 HydrophobicContact CD1-CE1 4.24Å; L351-F413 HydrophobicContact CD1-CG 3.65Å; L351-F413 HydrophobicContact CG-CB 4.21Å; L351-F413 HydrophobicContact CG-CD1 4.01Å; L351-F413 HydrophobicContact CG-CD2 4.06Å; L351-F413 HydrophobicContact CG-CE1 4.38Å; L351-F413 HydrophobicContact CG-CE2 4.43Å; L351-F413 HydrophobicContact CG-CG 3.83Å; F354-F413 HydrophobicContact CB-CE1 3.85Å; F354-F413 HydrophobicContact CB-CZ 4.32Å; F354-F413 HydrophobicContact CD2-CD1 4.47Å; F354-F413 HydrophobicContact CD2-CE1 4.23Å; F354-F413 HydrophobicContact CG-CE1 4.28Å; K357-F413 HydrophobicContact CB-CE1 3.8Å; K357-F413 HydrophobicContact CB-CZ 3.89Å; L361-F413 HydrophobicContact CD1-CD2 3.85Å; L361-F413 HydrophobicContact CD1-CE2 3.6Å; L361-F413 HydrophobicContact CD1-CG 4.43Å; L361-F413 HydrophobicContact CD1-CZ 3.99Å; A409-F413 WeakPolarHBondContact O-CB 3.25Å; A409-F413 PolarHBondContact O-N 3.32Å; K410-F413 PolarHBondContact O-N 2.04Å; D411-F413 VanDerWaalsContact C-N 3.32Å; D411-F413 PolarHBondContact O-N 3.25Å; F413-R416 PolarHBondContact O-N 3.01Å; F413-Y417 PolarHBondContact O-N 2.85Å
414Q98.2Very high97.1Very high26 Ų2637.2 Ų37.212%0.12117%0.173CC..Hα-helixtrans-67.7-42.1178.4-71.5-166.71700111.1F121 K410 D411 R416 Y417 H418F121-Q414 HydrophobicContact CD1-CB 4.23Å; F121-Q414 HydrophobicContact CD2-CB 3.98Å; F121-Q414 HydrophobicContact CE1-CB 3.78Å; F121-Q414 HydrophobicContact CE2-CB 3.49Å; F121-Q414 VanDerWaalsContact CE2-CB 3.49Å; F121-Q414 HydrophobicContact CE2-CG 4.22Å; F121-Q414 HydrophobicContact CG-CB 4.29Å; F121-Q414 HydrophobicContact CZ-CB 3.36Å; K410-Q414 WeakPolarHBondContact O-CB 3.3Å; K410-Q414 WeakPolarHBondContact O-CG 3.34Å; K410-Q414 PolarHBondContact O-N 3.19Å; D411-Q414 PolarHBondContact O-N 2.96Å; Q414-R416 PolarHBondContact O-N 3.43Å; Q414-Y417 WeakPolarHBondContact O-CB 3.22Å; Q414-Y417 PolarHBondContact O-N 3.3Å; Q414-H418 PolarHBondContact O-N 3.26Å; Q414-H418 PolarHBondContact O-ND1 3.43Å
415Q98.3Very high96.8Very high21 Ų2138.3 Ų38.310%0.09818%0.178CC..Hα-helixtrans-61.2-43.4173.9-71-175.347.200112F121 P123 F125 L132 D411 L412 Y417 H418 H419F121-Q415 HydrophobicContact CE1-CB 4.41Å; F121-Q415 HydrophobicContact CE1-CG 3.54Å; F121-Q415 HydrophobicContact CZ-CG 3.73Å; P123-Q415 HydrophobicContact CB-CG 4.39Å; P123-Q415 HydrophobicContact CG-CG 4.33Å; F125-Q415 PolarHBondContact O-NE2 3.14Å; L132-Q415 HydrophobicContact CD2-CB 3.55Å; D411-Q415 WeakPolarHBondContact O-CG 3.39Å; D411-Q415 PolarHBondContact O-N 2.67Å; D411-Q415 PolarHBondContact OD1-NE2 3.2Å; D411-Q415 PolarHBondContact OD2-NE2 2.91Å; L412-Q415 PolarHBondContact O-N 3.24Å; Q415-Y417 VanDerWaalsContact C-N 3.31Å; Q415-Y417 PolarHBondContact O-N 2.8Å; Q415-H418 PolarHBondContact O-N 3.1Å; Q415-H419 WeakPolarHBondContact O-CB 3.28Å; Q415-H419 PolarHBondContact O-N 3.24Å
416R98.4Very high96.4Very high10 Ų1043.5 Ų43.54%0.03820%0.202CC..Hα-helixtrans-56.2-44.7173.4-79.2179.4173.7177.23.1112D131 L132 R134 K344 F349 L361 L412 F413 Q414 T420D131-R416 PolarHBondContact O-NE 3.26Å; D131-R416 PolarHBondContact O-NH2 3.15Å; L132-R416 HydrophobicContact CD2-CG 4.25Å; R134-R416 VanDerWaalsContact CZ-NH2 3.32Å; K344-R416 PolarHBondContact O-NH2 3.26Å; F349-R416 VanDerWaalsContact CE1-NH1 3.32Å; L361-R416 HydrophobicContact CD1-CB 4.18Å; L361-R416 HydrophobicContact CD2-CB 4.31Å; L412-R416 HydrophobicContact CD1-CG 4.2Å; L412-R416 WeakPolarHBondContact O-CB 3.28Å; L412-R416 VanDerWaalsContact O-CG 3.26Å; L412-R416 WeakPolarHBondContact O-CG 3.39Å; L412-R416 PolarHBondContact O-N 3.36Å; F413-R416 PolarHBondContact O-N 3.01Å; Q414-R416 PolarHBondContact O-N 3.43Å; R416-T420 VanDerWaalsContact O-CB 3.26Å; R416-T420 WeakPolarHBondContact O-CB 3.28Å; R416-T420 PolarHBondContact O-N 3.03Å; R416-T420 PolarHBondContact O-OG1 2.81Å
417Y98Very high96Very high19 Ų1950.4 Ų50.48%0.07523%0.228CC..Hα-helixtrans-61.4-54.3178.1175.2-95.9000111.7K357 F360 L361 F413 Q414 Q415 H419 T420 K421K357-Y417 HydrophobicContact CB-CD2 3.7Å; K357-Y417 HydrophobicContact CB-CE2 3.91Å; K357-Y417 HydrophobicContact CB-CG 4.29Å; K357-Y417 HydrophobicContact CD-CD1 3.93Å; K357-Y417 HydrophobicContact CD-CD2 4.09Å; K357-Y417 HydrophobicContact CD-CE1 3.97Å; K357-Y417 HydrophobicContact CD-CE2 4.12Å; K357-Y417 HydrophobicContact CD-CG 3.99Å; K357-Y417 HydrophobicContact CG-CD1 4.5Å; K357-Y417 HydrophobicContact CG-CD2 3.81Å; K357-Y417 HydrophobicContact CG-CE1 4.35Å; K357-Y417 HydrophobicContact CG-CE2 3.63Å; K357-Y417 HydrophobicContact CG-CG 4.24Å; F360-Y417 HydrophobicContact CB-CE2 4.25Å; F360-Y417 AromaticContact CD1-CD2 3.6Å; F360-Y417 HydrophobicContact CD1-CD2 3.6Å; F360-Y417 AromaticContact CD1-CE2 3.64Å; F360-Y417 HydrophobicContact CD1-CE2 3.64Å; F360-Y417 HydrophobicContact CE1-CD2 4.14Å; F360-Y417 HydrophobicContact CE1-CE2 4.19Å; F360-Y417 HydrophobicContact CG-CD2 4.34Å; F360-Y417 AromaticContact CG-CE2 3.97Å; F360-Y417 HydrophobicContact CG-CE2 3.97Å; L361-Y417 HydrophobicContact CG-CD2 4.49Å; F413-Y417 PolarHBondContact O-N 2.85Å; Q414-Y417 WeakPolarHBondContact O-CB 3.22Å; Q414-Y417 PolarHBondContact O-N 3.3Å; Q415-Y417 VanDerWaalsContact C-N 3.31Å; Q415-Y417 PolarHBondContact O-N 2.8Å; Y417-H419 PolarHBondContact O-N 2.81Å; Y417-T420 PolarHBondContact O-N 2.74Å; Y417-K421 HydrophobicContact CD1-CG 4.49Å; Y417-K421 HydrophobicContact CE1-CG 4.04Å; Y417-K421 HydrophobicContact CE2-CG 4.1Å; Y417-K421 WeakPolarHBondContact O-CB 3.34Å; Y417-K421 WeakPolarHBondContact O-CG 3.46Å; Y417-K421 PolarHBondContact O-N 3.28Å; Y417-K421 WeakPolarHBondContact OH-CE 3.43Å
418H96.1Very high95.7Very high62 Ų6249.6 Ų49.629%0.28723%0.226SC..Hα-helixtrans-62.9-44.8-178.3-66.398.6000111.7F121 Q414 Q415 T420 K421 Q422F121-H418 AromaticContact CD1-CE1 3.46Å; F121-H418 VanDerWaalsContact CD1-CE1 3.46Å; F121-H418 WeakPolarHBondContact CD1-CE1 3.38Å; F121-H418 AromaticContact CD1-ND1 3.48Å; F121-H418 WeakPolarHBondContact CD1-ND1 3.38Å; F121-H418 AromaticContact CE1-ND1 3.92Å; F121-H418 AromaticContact CG-CE1 3.74Å; Q414-H418 PolarHBondContact O-N 3.26Å; Q414-H418 PolarHBondContact O-ND1 3.43Å; Q415-H418 PolarHBondContact O-N 3.1Å; H418-T420 PolarHBondContact O-N 3.46Å; H418-K421 PolarHBondContact O-N 3.12Å; H418-Q422 WeakPolarHBondContact O-CB 3.5Å; H418-Q422 VanDerWaalsContact O-CG 3.29Å; H418-Q422 WeakPolarHBondContact O-CG 3.5Å; H418-Q422 PolarHBondContact O-N 2.84Å
419H95.9Very high95.3Very high30 Ų3053.7 Ų53.714%0.13924%0.241CC..Hα-helixtrans-59.7-46.8177.1177.2-102.3000111.9L129 L132 T133 Q415 Y417 K421 Q422 L423L129-H419 WeakPolarHBondContact CD1-NE2 3.15Å; L132-H419 HydrophobicContact CB-CB 4.41Å; L132-H419 HydrophobicContact CD1-CB 4.28Å; T133-H419 PolarHBondContact OG1-CE1 3.35Å; Q415-H419 WeakPolarHBondContact O-CB 3.28Å; Q415-H419 PolarHBondContact O-N 3.24Å; Y417-H419 PolarHBondContact O-N 2.81Å; H419-K421 VanDerWaalsContact C-N 3.34Å; H419-K421 PolarHBondContact O-N 3.3Å; H419-Q422 PolarHBondContact O-N 2.96Å; H419-L423 WeakPolarHBondContact CE1-CD1 3.29Å; H419-L423 WeakPolarHBondContact O-CG 3.3Å; H419-L423 PolarHBondContact O-N 2.75Å
420T96.3Very high95Very high27 Ų2759.9 Ų59.917%0.16627%0.27CS..Hα-helixtrans-64.6-40178.6-55.90000111.6F360 R364 R416 Y417 H418 L423 E424F360-T420 HydrophobicContact CE1-CG2 3.79Å; F360-T420 HydrophobicContact CZ-CG2 4.12Å; R364-T420 HydrophobicContact CB-CG2 3.96Å; R364-T420 HydrophobicContact CG-CG2 3.9Å; R416-T420 VanDerWaalsContact O-CB 3.26Å; R416-T420 WeakPolarHBondContact O-CB 3.28Å; R416-T420 PolarHBondContact O-N 3.03Å; R416-T420 PolarHBondContact O-OG1 2.81Å; Y417-T420 PolarHBondContact O-N 2.74Å; H418-T420 PolarHBondContact O-N 3.46Å; T420-L423 PolarHBondContact O-N 3.06Å; T420-E424 PolarHBondContact O-N 3.37Å
421K94.6Very high94.7Very high61 Ų6161.2 Ų61.227%0.26528%0.276SS..Hα-helixtrans-62-47.9174.8-85.2-70.6-168.4168.90112F360 Y417 H418 H419 L423 E424 H425F360-K421 HydrophobicContact CE1-CD 4.11Å; F360-K421 HydrophobicContact CE1-CG 3.83Å; F360-K421 HydrophobicContact CE2-CD 3.78Å; F360-K421 VanDerWaalsContact CE2-CE 3.41Å; F360-K421 HydrophobicContact CE2-CG 4.41Å; F360-K421 HydrophobicContact CZ-CD 3.49Å; F360-K421 VanDerWaalsContact CZ-CD 3.49Å; F360-K421 HydrophobicContact CZ-CG 3.71Å; Y417-K421 HydrophobicContact CD1-CG 4.49Å; Y417-K421 HydrophobicContact CE1-CG 4.04Å; Y417-K421 HydrophobicContact CE2-CG 4.1Å; Y417-K421 WeakPolarHBondContact O-CB 3.34Å; Y417-K421 WeakPolarHBondContact O-CG 3.46Å; Y417-K421 PolarHBondContact O-N 3.28Å; Y417-K421 WeakPolarHBondContact OH-CE 3.43Å; H418-K421 PolarHBondContact O-N 3.12Å; H419-K421 VanDerWaalsContact C-N 3.34Å; H419-K421 PolarHBondContact O-N 3.3Å; K421-L423 VanDerWaalsContact C-N 3.34Å; K421-L423 PolarHBondContact O-N 3.19Å; K421-E424 PolarHBondContact O-N 3.45Å; K421-E424 VanDerWaalsContact O-N 3.14Å; K421-H425 PolarHBondContact O-CD2 3.5Å; K421-H425 PolarHBondContact O-N 3.38Å
422Q93.1Very high94.5Very high116 Ų11665.8 Ų65.854%0.54229%0.293SS..Hα-helixtrans-58.6-45.1177.6-74.8171.8-9.900111.8H418 H419 E424 H425 Q426H418-Q422 WeakPolarHBondContact O-CB 3.5Å; H418-Q422 VanDerWaalsContact O-CG 3.29Å; H418-Q422 WeakPolarHBondContact O-CG 3.5Å; H418-Q422 PolarHBondContact O-N 2.84Å; H419-Q422 PolarHBondContact O-N 2.96Å; Q422-E424 VanDerWaalsContact C-N 3.32Å; Q422-E424 PolarHBondContact O-N 3.17Å; Q422-H425 PolarHBondContact O-N 3.38Å; Q422-Q426 WeakPolarHBondContact O-CB 3.32Å; Q422-Q426 VanDerWaalsContact O-CG 3.3Å; Q422-Q426 WeakPolarHBondContact O-CG 3.32Å; Q422-Q426 PolarHBondContact O-N 3.03Å
423L92.4Very high94.2Very high71 Ų7174 Ų7437%0.37232%0.324SS..Hα-helixtrans-61.2-39.1175.5-72.1179000112.5H419 T420 K421 R427H419-L423 WeakPolarHBondContact CE1-CD1 3.29Å; H419-L423 WeakPolarHBondContact O-CG 3.3Å; H419-L423 PolarHBondContact O-N 2.75Å; T420-L423 PolarHBondContact O-N 3.06Å; K421-L423 VanDerWaalsContact C-N 3.34Å; K421-L423 PolarHBondContact O-N 3.19Å; L423-R427 WeakPolarHBondContact O-CB 3.46Å; L423-R427 WeakPolarHBondContact O-CG 3.5Å; L423-R427 PolarHBondContact O-N 3.49Å
424E91.3Very high93.9Very high53 Ų5379 Ų7925%0.24835%0.347CS..Hα-helixtrans-65.5-47.4176.5-168.9166.3-162.500111.1F360 R364 T420 K421 Q422 Q426 R427 D428F360-E424 WeakPolarHBondContact CE2-OE2 3.39Å; F360-E424 VanDerWaalsContact CZ-OE2 3.23Å; F360-E424 WeakPolarHBondContact CZ-OE2 3.44Å; R364-E424 IonicContact CZ-OE1 3.38Å; R364-E424 IonicContact CZ-OE2 3.91Å; R364-E424 IonicContact NE-OE1 3.8Å; R364-E424 PolarHBondContact NE-OE1 2.91Å; R364-E424 IonicContact NE-OE2 3.61Å; R364-E424 PolarHBondContact NE-OE2 2.91Å; R364-E424 VanDerWaalsContact NE-OE2 3.13Å; R364-E424 IonicContact NH2-OE1 2.6Å; R364-E424 PolarHBondContact NH2-OE1 3.12Å; R364-E424 IonicContact NH2-OE2 3.51Å; R364-E424 PolarHBondContact NH2-OE2 2.82Å; T420-E424 PolarHBondContact O-N 3.37Å; K421-E424 PolarHBondContact O-N 3.45Å; K421-E424 VanDerWaalsContact O-N 3.14Å; Q422-E424 VanDerWaalsContact C-N 3.32Å; Q422-E424 PolarHBondContact O-N 3.17Å; E424-Q426 VanDerWaalsContact C-N 3.34Å; E424-Q426 PolarHBondContact O-N 2.98Å; E424-R427 PolarHBondContact O-N 3.45Å; E424-D428 PolarHBondContact O-N 3.16Å
425H91.2Very high93.6Very high102 Ų10283 Ų8347%0.47237%0.366SS..Hα-helixtrans-59.6-41.5175.7-73.5-66.3000112.7K421 Q422 D428 R429K421-H425 PolarHBondContact O-CD2 3.5Å; K421-H425 PolarHBondContact O-N 3.38Å; Q422-H425 PolarHBondContact O-N 3.38Å; H425-D428 PolarHBondContact O-N 3.38Å; H425-R429 WeakPolarHBondContact O-CB 3.37Å; H425-R429 VanDerWaalsContact O-CG 3.31Å; H425-R429 WeakPolarHBondContact O-CG 3.28Å; H425-R429 PolarHBondContact O-N 2.81Å
426Q91.4Very high93.3Very high109 Ų10987.1 Ų87.151%0.50938%0.38SS..Hα-helixtrans-62.6-43.6176.2-74.71751.200111.7Q422 E424 R429 Q430Q422-Q426 WeakPolarHBondContact O-CB 3.32Å; Q422-Q426 VanDerWaalsContact O-CG 3.3Å; Q422-Q426 WeakPolarHBondContact O-CG 3.32Å; Q422-Q426 PolarHBondContact O-N 3.03Å; E424-Q426 VanDerWaalsContact C-N 3.34Å; E424-Q426 PolarHBondContact O-N 2.98Å; Q426-R429 PolarHBondContact O-N 3.25Å; Q426-Q430 WeakPolarHBondContact O-CG 3.14Å; Q426-Q430 PolarHBondContact O-N 2.84Å
427R90.9Very high93Very high162 Ų16293.1 Ų93.161%0.61140%0.403SS*.Hα-helixtrans-64.5-40.7177.4-72171.470.4169.94.8112L423 E424 Q430 K431L423-R427 WeakPolarHBondContact O-CB 3.46Å; L423-R427 WeakPolarHBondContact O-CG 3.5Å; L423-R427 PolarHBondContact O-N 3.49Å; E424-R427 PolarHBondContact O-N 3.45Å; R427-Q430 PolarHBondContact O-N 3.02Å; R427-K431 WeakPolarHBondContact O-CG 3.26Å; R427-K431 PolarHBondContact O-N 3.25Å
428D90.7Very high92.7Very high57 Ų5795.9 Ų95.931%0.30542%0.419SS..Hα-helixtrans-69.9-39.6179-67.2-18.6000111.5E424 H425 Q430 K431 R432E424-D428 PolarHBondContact O-N 3.16Å; H425-D428 PolarHBondContact O-N 3.38Å; D428-Q430 VanDerWaalsContact C-N 3.32Å; D428-Q430 PolarHBondContact O-N 2.9Å; D428-K431 PolarHBondContact O-N 2.94Å; D428-R432 WeakPolarHBondContact O-CG 3.24Å; D428-R432 PolarHBondContact O-N 2.67Å
429R91.8Very high92.3Very high111 Ų11199.3 Ų99.342%0.41944%0.435SS..Hα-helixtrans-59.9-41.9171.5-74.7-179.2-173.7-136.26111.4D106 H425 Q426 R433D106-R429 IonicContact OD1-NH2 3.55Å; D106-R429 PolarHBondContact OD1-NH2 2.96Å; H425-R429 WeakPolarHBondContact O-CB 3.37Å; H425-R429 VanDerWaalsContact O-CG 3.31Å; H425-R429 WeakPolarHBondContact O-CG 3.28Å; H425-R429 PolarHBondContact O-N 2.81Å; Q426-R429 PolarHBondContact O-N 3.25Å; R429-R433 VanDerWaalsContact O-CG 3.31Å; R429-R433 WeakPolarHBondContact O-CG 3.48Å; R429-R433 PolarHBondContact O-N 3.37Å
430Q92.3Very high91.9Very high130 Ų130106.1 Ų106.161%0.60746%0.459SS*.Hα-helixtrans-63.7-46.2176.2-76.5175.4-11.600112.2Q426 R427 D428 R432 R433 E434Q426-Q430 WeakPolarHBondContact O-CG 3.14Å; Q426-Q430 PolarHBondContact O-N 2.84Å; R427-Q430 PolarHBondContact O-N 3.02Å; D428-Q430 VanDerWaalsContact C-N 3.32Å; D428-Q430 PolarHBondContact O-N 2.9Å; Q430-R432 PolarHBondContact O-N 3.32Å; Q430-R433 WeakPolarHBondContact O-CB 3.27Å; Q430-R433 PolarHBondContact O-N 2.92Å; Q430-E434 PolarHBondContact O-N 2.86Å
431K92.6Very high91.3Very high112 Ų112108.6 Ų108.649%0.48747%0.469SS..Hα-helixtrans-59.6-46.7176-75177.7178.1-179.40112.4R427 D428 R433 E434 E435R427-K431 WeakPolarHBondContact O-CG 3.26Å; R427-K431 PolarHBondContact O-N 3.25Å; D428-K431 PolarHBondContact O-N 2.94Å; K431-R433 VanDerWaalsContact C-N 3.28Å; K431-R433 PolarHBondContact O-N 3.34Å; K431-E434 PolarHBondContact O-N 3.49Å; K431-E434 VanDerWaalsContact O-N 3.12Å; K431-E435 WeakPolarHBondContact O-CB 3.28Å; K431-E435 WeakPolarHBondContact O-CG 3.4Å; K431-E435 PolarHBondContact O-N 2.64Å
432R93.1Very high90.6Very high102 Ų102112.1 Ų112.139%0.38549%0.486SS..Hα-helixtrans-60.2-38.3176.6-71.7-167.1-64.5-92.311.2112.2D428 Q430 R436D428-R432 WeakPolarHBondContact O-CG 3.24Å; D428-R432 PolarHBondContact O-N 2.67Å; Q430-R432 PolarHBondContact O-N 3.32Å; R432-R436 WeakPolarHBondContact O-CB 3.2Å; R432-R436 VanDerWaalsContact O-CG 3.29Å; R432-R436 WeakPolarHBondContact O-CG 3.44Å; R432-R436 PolarHBondContact O-N 2.92Å; R432-R436 PolarHBondContact O-NE 3.19Å
433R92.9Very high89.7Confident173 Ų173115.6 Ų115.665%0.65350%0.495SS*.Hα-helixtrans-64.8-42.3174.5-74.5175.7178.5-163.5-2.2111.9R429 Q430 K431 R436 R437R429-R433 VanDerWaalsContact O-CG 3.31Å; R429-R433 WeakPolarHBondContact O-CG 3.48Å; R429-R433 PolarHBondContact O-N 3.37Å; Q430-R433 WeakPolarHBondContact O-CB 3.27Å; Q430-R433 PolarHBondContact O-N 2.92Å; K431-R433 VanDerWaalsContact C-N 3.28Å; K431-R433 PolarHBondContact O-N 3.34Å; R433-R436 PolarHBondContact O-N 2.94Å; R433-R437 PolarHBondContact O-N 3.48Å
434E92.4Very high88.6Confident106 Ų106117.5 Ų117.550%0.49551%0.505SS..Hα-helixtrans-67.6-43.1177.7-173168.7-157.300112.2Q430 K431 R436 R437 L438Q430-E434 PolarHBondContact O-N 2.86Å; K431-E434 PolarHBondContact O-N 3.49Å; K431-E434 VanDerWaalsContact O-N 3.12Å; E434-R436 PolarHBondContact O-N 3.36Å; E434-R437 WeakPolarHBondContact O-CB 3.32Å; E434-R437 PolarHBondContact O-N 3.3Å; E434-R437 VanDerWaalsContact O-N 3.13Å; E434-L438 HydrophobicContact CG-CD1 4.35Å; E434-L438 WeakPolarHBondContact O-CG 3.28Å; E434-L438 PolarHBondContact O-N 3.01Å
435E91.9Very high87.1Confident110 Ų110122.3 Ų122.351%0.51453%0.527SS..Hα-helixtrans-59.4-44.6174.1-73.6169.5-178.400111.5K431 R437 L438 Q439K431-E435 WeakPolarHBondContact O-CB 3.28Å; K431-E435 WeakPolarHBondContact O-CG 3.4Å; K431-E435 PolarHBondContact O-N 2.64Å; E435-R437 VanDerWaalsContact C-N 3.33Å; E435-R437 PolarHBondContact O-N 2.97Å; E435-L438 PolarHBondContact O-N 3.49Å; E435-Q439 WeakPolarHBondContact O-CB 3.39Å; E435-Q439 VanDerWaalsContact O-CG 3.32Å; E435-Q439 WeakPolarHBondContact O-CG 3.31Å; E435-Q439 PolarHBondContact O-N 3.4Å
436R92.6Very high85.4Confident106 Ų106125.2 Ų125.240%0.454%0.541SS..Hα-helixtrans-63-36.9174.4-75.1-173.8-69.6-131.110.8112.5R432 R433 E434 R440R432-R436 WeakPolarHBondContact O-CB 3.2Å; R432-R436 VanDerWaalsContact O-CG 3.29Å; R432-R436 WeakPolarHBondContact O-CG 3.44Å; R432-R436 PolarHBondContact O-N 2.92Å; R432-R436 PolarHBondContact O-NE 3.19Å; R433-R436 PolarHBondContact O-N 2.94Å; E434-R436 PolarHBondContact O-N 3.36Å; R436-R440 WeakPolarHBondContact O-CG 3.08Å; R436-R440 PolarHBondContact O-N 2.9Å; R436-R440 VanDerWaalsContact O-N 3.12Å
437R92.4Very high83.5Confident137 Ų137130.5 Ų130.552%0.51756%0.556SS.*Hα-helixtrans-64.4-48.9174.9-169.9-175.771.2-164.6-6.6110.9R433 E434 E435 Q439 R440 E441R433-R437 PolarHBondContact O-N 3.48Å; E434-R437 WeakPolarHBondContact O-CB 3.32Å; E434-R437 PolarHBondContact O-N 3.3Å; E434-R437 VanDerWaalsContact O-N 3.13Å; E435-R437 VanDerWaalsContact C-N 3.33Å; E435-R437 PolarHBondContact O-N 2.97Å; R437-Q439 VanDerWaalsContact C-N 3.3Å; R437-Q439 PolarHBondContact O-N 3.08Å; R437-R440 PolarHBondContact O-N 2.79Å; R437-E441 WeakPolarHBondContact CG-OE1 3.39Å; R437-E441 IonicContact NE-OE1 2.64Å; R437-E441 WeakPolarHBondContact O-CG 3.32Å; R437-E441 PolarHBondContact O-N 3.39Å
438L90.6Very high81.6Confident77 Ų77127.8 Ų127.840%0.40356%0.56SS.*Hα-helixtrans-62.6-36.1179.3-69.7170.5000112.5E434 E435 H442E434-L438 HydrophobicContact CG-CD1 4.35Å; E434-L438 WeakPolarHBondContact O-CG 3.28Å; E434-L438 PolarHBondContact O-N 3.01Å; E435-L438 PolarHBondContact O-N 3.49Å; L438-H442 PolarHBondContact O-N 3.49Å; L438-H442 PolarHBondContact O-ND1 3.43Å
439Q87.1Confident79.6Confident134 Ų134134 Ų13463%0.62658%0.584SS**Hα-helixtrans-66.3-40.5174.2-76.1174.23.700112.5E435 R437 H442 R443E435-Q439 WeakPolarHBondContact O-CB 3.39Å; E435-Q439 VanDerWaalsContact O-CG 3.32Å; E435-Q439 WeakPolarHBondContact O-CG 3.31Å; E435-Q439 PolarHBondContact O-N 3.4Å; R437-Q439 VanDerWaalsContact C-N 3.3Å; R437-Q439 PolarHBondContact O-N 3.08Å; Q439-H442 PolarHBondContact O-N 3.32Å; Q439-R443 PolarHBondContact O-N 3.47Å
440R88.3Confident77.3Confident172 Ų172138.1 Ų138.165%0.64961%0.608SS**Hα-helixtrans-64-46.4174.5-71.9176.1-176.1-166.70111.1R436 R437 H442 R443 D444R436-R440 WeakPolarHBondContact O-CG 3.08Å; R436-R440 PolarHBondContact O-N 2.9Å; R436-R440 VanDerWaalsContact O-N 3.12Å; R437-R440 PolarHBondContact O-N 2.79Å; R440-H442 VanDerWaalsContact C-N 3.34Å; R440-H442 PolarHBondContact O-N 2.89Å; R440-R443 PolarHBondContact O-N 2.96Å; R440-R443 VanDerWaalsContact O-N 3.1Å; R440-D444 VanDerWaalsContact O-CG 3.29Å; R440-D444 PolarHBondContact O-N 3.49Å
441E84.9Confident75.2Confident79 Ų79140.1 Ų140.137%0.36962%0.623SS.*Hα-helixtrans-59.8-41.7176.4-71169-172.600112R437 R443 D444 H445R437-E441 WeakPolarHBondContact CG-OE1 3.39Å; R437-E441 IonicContact NE-OE1 2.64Å; R437-E441 WeakPolarHBondContact O-CG 3.32Å; R437-E441 PolarHBondContact O-N 3.39Å; E441-R443 PolarHBondContact O-N 2.9Å; E441-D444 PolarHBondContact O-N 3.4Å; E441-H445 WeakPolarHBondContact O-CB 3.23Å; E441-H445 PolarHBondContact O-CD2 3.39Å; E441-H445 PolarHBondContact O-N 3.4Å
442H78.3Confident72.7Confident136 Ų136138 Ų13863%0.6363%0.633SS**Hα-helixtrans-64.4-38.4174.2-85.969.7000112.7L438 Q439 R440 H445 Q446L438-H442 PolarHBondContact O-N 3.49Å; L438-H442 PolarHBondContact O-ND1 3.43Å; Q439-H442 PolarHBondContact O-N 3.32Å; R440-H442 VanDerWaalsContact C-N 3.34Å; R440-H442 PolarHBondContact O-N 2.89Å; H442-H445 PolarHBondContact O-N 3.05Å; H442-Q446 WeakPolarHBondContact O-CB 3.41Å; H442-Q446 PolarHBondContact O-N 3.12Å
443R75.1Confident70.3Confident189 Ų189138.2 Ų138.271%0.71366%0.656SS**Hα-helixtrans-67.5-39.3177.4-161.9175.777.31777.8111.8Q439 R440 E441 Q446Q439-R443 PolarHBondContact O-N 3.47Å; R440-R443 PolarHBondContact O-N 2.96Å; R440-R443 VanDerWaalsContact O-N 3.1Å; E441-R443 PolarHBondContact O-N 2.9Å; R443-Q446 PolarHBondContact O-N 3.21Å
444D68.3Low67.5Low111 Ų111134.7 Ų134.759%0.59466%0.664SS**Hα-helixtrans-72.2-30.7178.3-65.4-14.7000111.8R440 E441R440-D444 VanDerWaalsContact O-CG 3.29Å; R440-D444 PolarHBondContact O-N 3.49Å; E441-D444 PolarHBondContact O-N 3.4Å
445H59.8Low65Low154 Ų154139.3 Ų139.371%0.71369%0.686SS**Hα-helixtrans-79.4-17.8173.3-75.4-53.2000114.6E441 H442 W447E441-H445 WeakPolarHBondContact O-CB 3.23Å; E441-H445 PolarHBondContact O-CD2 3.39Å; E441-H445 PolarHBondContact O-N 3.4Å; H442-H445 PolarHBondContact O-N 3.05Å; H445-W447 VanDerWaalsContact C-N 3.29Å
446Q56.6Low62.3Low162 Ų162137.1 Ų137.176%0.75769%0.693SS**THydrogen-bonded Turntrans-82.9-6.3175.1-163.3134.53000113H442 R443H442-Q446 WeakPolarHBondContact O-CB 3.41Å; H442-Q446 PolarHBondContact O-N 3.12Å; R443-Q446 PolarHBondContact O-N 3.21Å
447W51.9Low59.4Low221 Ų221138.6 Ų138.684%0.83771%0.714SS**  trans-112.195.5172.1-135.1-96.7000111.3H445H445-W447 VanDerWaalsContact C-N 3.29Å
448P50.2Low56.9Low105 Ų105138.7 Ų138.768%0.68273%0.729SS**  -141.6130.3128.423.8-3.5000115.3
449K49.7Very low54.3Low186 Ų186141.3 Ų141.381%0.80975%0.749SS**  trans78.794.7152.2-66-175.5174.6-177.40120
450E42.9Very low51.9Low198 Ų198143.5 Ų143.593%0.92576%0.759SS**  -129.972.3128.4-86.7-171.316100109.1
451D48.4Very low49.4Very low172 Ų172142.7 Ų142.792%0.9277%0.768SS**  trans-91.293.1155.2-78.5-35.6000106.7
452G39.8Very low46.8Very low68 Ų68148.2 Ų148.270%0.70179%0.786SS**  trans-164.377.3-176.600000112.3
453A41.4Very low44.8Very low106 Ų106148.1 Ų148.188%0.87679%0.791SS**  trans42112.9149.100000119.5
454A35.2Very low42.9Very low99 Ų99143.6 Ų143.682%0.81879%0.788SS**  trans-163.7107.8132.200000110.9
455E39.8Very low41.5Very low203 Ų203146.8 Ų146.895%0.94980%0.799SS**  trans-55.5137.3146.6-73.6174.1133.700108.8
456G34.8Very low40.6Very low64 Ų64145.8 Ų145.866%0.6680%0.804SS**  trans161.390.7168.200000116.3
457T32Very low39.7Very low138 Ų138144.1 Ų144.185%0.84780%0.804SS**  trans64.7104.2143.951.10000119.4
458V39.5Very low38.8Very low138 Ų138144.2 Ų144.284%0.83680%0.804SS**  trans-63.1124.2150.4176.10000109.2
459T35.9Very low38.1Very low132 Ų132154.5 Ų154.581%0.8183%0.83SS**  trans-142.8120.3149.548.10000109.3
460E36.8Very low37.5Very low181 Ų181152.9 Ų152.985%0.84683%0.831SS**  trans-51.7141.9162.4-63.7166.4131.100110.8
461D35.9Very low37.2Very low155 Ų155150.5 Ų150.583%0.82983%0.826SS**  -163.7155.5117.2-142.2-5.2000114.1
462Y31.4Very low36.6Very low195 Ų195149.3 Ų149.377%0.76582%0.82SS**  trans-49.4157.5-176.4-104.9-123.7000119.6
463N34.4Very low36.4Very low134 Ų134154.1 Ų154.172%0.71783%0.827SS**  trans91.8115.2139.6-95.4-16000121.8
464S35.2Very low36.1Very low93 Ų93157.1 Ų157.165%0.6582%0.824SS**  87.6112.4128.6860000117.6
465Q38.7Very low36.2Very low178 Ų178161 Ų16183%0.83283%0.825SS**  174.8127.785.7-91.3175.717.100111.3
466V41.8Very low35.9Very low134 Ų134158 Ų15881%0.81282%0.816SS**  trans-56.5130.2156.3172.90000109.7
467V36.8Very low36Very low126 Ų126165.2 Ų165.276%0.76483%0.828SS**  trans-155.2122.4130.2-160.30000110
468R35Very low36.3Very low224 Ų224167.5 Ų167.585%0.84583%0.826SS**  trans-47.9148.4160.3-75.2169.6161.4162.4-6112.2
469W34.7Very low36.1Very low320 Ų320170.2 Ų170.2100%1.21283%0.826SS**  -152.90122.3-92.796.3000109.1

Retrieved 469 of 469 residues in 201.9 ms (Link to these results)

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