A0A5K4FAG3_SCHMA Loading...

Coenzyme Q biosynthesis protein 4 homolog

AlphaFold DB , UniProt , Accession A0A5K4FAG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 166 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
1M54.6Low76.4Confident156 Ų156123.2 Ų123.277%0.76861%0.612SS**  0106.90-175.8168.874.400108.9L5 R6M1-L5 HydrophobicContact CG-CD2 4.29Å; M1-R6 HydrophobicContact CE-CG 4.02Å
2N73.4Confident77Confident130 Ų130119.8 Ų119.870%0.69560%0.598SS**  trans-74.7151.1-165.2-67.5-17.3000113.5I4 L5 R6N2-I4 PolarHBondContact O-N 3.32Å; N2-I4 VanDerWaalsContact O-N 3.12Å; N2-L5 WeakPolarHBondContact O-CB 3.27Å; N2-L5 PolarHBondContact O-N 3.39Å; N2-R6 PolarHBondContact O-N 3.01Å
3L80.1Confident77.4Confident135 Ų135124.7 Ų124.771%0.70761%0.605SS**Hα-helixtrans-52.3-35.3-175.8-156.384.5000113.1R6 R7L3-R6 PolarHBondContact O-N 3.37Å; L3-R7 PolarHBondContact O-N 3.07Å; L3-R7 VanDerWaalsContact O-N 3.16Å
4I78.5Confident77.5Confident134 Ų134127.2 Ų127.269%0.68761%0.607SS**Hα-helixtrans-62.5-45.7178.4-62.7167.1000110.9N2 R6 R7 V8N2-I4 PolarHBondContact O-N 3.32Å; N2-I4 VanDerWaalsContact O-N 3.12Å; I4-R6 VanDerWaalsContact C-N 3.32Å; I4-R6 PolarHBondContact O-N 3.37Å; I4-R7 PolarHBondContact O-N 2.66Å; I4-V8 HydrophobicContact CG2-CG2 4.49Å; I4-V8 WeakPolarHBondContact O-CG2 3.42Å; I4-V8 PolarHBondContact O-N 3.23Å
5L76.5Confident77.9Confident101 Ų101126.5 Ų126.553%0.52960%0.6SS.*Hα-helixtrans-64.2-38.4-178.5-145.281.6000111.4M1 N2 V8 L9M1-L5 HydrophobicContact CG-CD2 4.29Å; N2-L5 WeakPolarHBondContact O-CB 3.27Å; N2-L5 PolarHBondContact O-N 3.39Å; L5-V8 PolarHBondContact O-N 3.08Å; L5-L9 WeakPolarHBondContact O-CB 3.39Å; L5-L9 WeakPolarHBondContact O-CG 3.23Å; L5-L9 PolarHBondContact O-N 2.88Å
6R80.4Confident78Confident158 Ų158124.8 Ų124.860%0.59660%0.595SS**Hα-helixtrans-63.7-40.8174.8-70.8-172.5178.9-146.4-0.4112.1M1 N2 L3 I4 S10M1-R6 HydrophobicContact CE-CG 4.02Å; N2-R6 PolarHBondContact O-N 3.01Å; L3-R6 PolarHBondContact O-N 3.37Å; I4-R6 VanDerWaalsContact C-N 3.32Å; I4-R6 PolarHBondContact O-N 3.37Å; R6-S10 WeakPolarHBondContact O-CB 3.42Å; R6-S10 PolarHBondContact O-N 3.21Å
7R73.8Confident78.3Confident183 Ų183128.2 Ų128.269%0.69160%0.601SS**Hα-helixtrans-65-45.8176-85.5-172.3172.2-167.3-1.2112L3 I4 L9 S10 I11L3-R7 PolarHBondContact O-N 3.07Å; L3-R7 VanDerWaalsContact O-N 3.16Å; I4-R7 PolarHBondContact O-N 2.66Å; R7-L9 PolarHBondContact O-N 3.47Å; R7-S10 WeakPolarHBondContact O-CB 3.41Å; R7-S10 PolarHBondContact O-N 3.01Å; R7-I11 VanDerWaalsContact O-CG1 3.29Å; R7-I11 WeakPolarHBondContact O-CG1 3.39Å; R7-I11 PolarHBondContact O-N 3.44Å
8V78.9Confident78.2Confident84 Ų84126 Ų12651%0.50959%0.593SS.*Hα-helixtrans-61.4-45.5178.9174.50000111.2I4 L5 S10 I11 N12I4-V8 HydrophobicContact CG2-CG2 4.49Å; I4-V8 WeakPolarHBondContact O-CG2 3.42Å; I4-V8 PolarHBondContact O-N 3.23Å; L5-V8 PolarHBondContact O-N 3.08Å; V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.45Å; V8-I11 PolarHBondContact O-N 3.25Å; V8-N12 WeakPolarHBondContact O-CB 3.49Å; V8-N12 PolarHBondContact O-N 3.31Å
9L82.7Confident78.3Confident83 Ų83125.3 Ų125.344%0.43559%0.589SS.*Hα-helixtrans-64.5-37.2176.6-70.7171.5000112.4L5 R7 N12 R13L5-L9 WeakPolarHBondContact O-CB 3.39Å; L5-L9 WeakPolarHBondContact O-CG 3.23Å; L5-L9 PolarHBondContact O-N 2.88Å; R7-L9 PolarHBondContact O-N 3.47Å; L9-N12 PolarHBondContact O-N 3.31Å; L9-R13 WeakPolarHBondContact O-CB 3.47Å; L9-R13 WeakPolarHBondContact O-CG 3.14Å; L9-R13 PolarHBondContact O-N 3.05Å
10S81.3Confident77.9Confident73 Ų73125.1 Ų125.151%0.5159%0.588SS.*Hα-helixtrans-63.9-47.6175.3-175.60000111.7R6 R7 V8 N12 R13 Y14R6-S10 WeakPolarHBondContact O-CB 3.42Å; R6-S10 PolarHBondContact O-N 3.21Å; R7-S10 WeakPolarHBondContact O-CB 3.41Å; R7-S10 PolarHBondContact O-N 3.01Å; V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.45Å; S10-N12 VanDerWaalsContact C-N 3.33Å; S10-N12 PolarHBondContact O-N 3.43Å; S10-R13 PolarHBondContact O-N 3.41Å; S10-Y14 WeakPolarHBondContact O-CB 3.4Å; S10-Y14 PolarHBondContact O-N 3.36Å
11I80.6Confident77.6Confident118 Ų118122 Ų12261%0.60558%0.578SS**Hα-helixtrans-60.4-44.4176.8-67.3163.5000110.3R7 V8 Y14 F15R7-I11 VanDerWaalsContact O-CG1 3.29Å; R7-I11 WeakPolarHBondContact O-CG1 3.39Å; R7-I11 PolarHBondContact O-N 3.44Å; V8-I11 PolarHBondContact O-N 3.25Å; I11-Y14 PolarHBondContact O-N 3.47Å; I11-F15 WeakPolarHBondContact O-CB 3.35Å; I11-F15 PolarHBondContact O-N 2.86Å
12N83.7Confident78.2Confident82 Ų82121.6 Ų121.644%0.43957%0.572SS.*Hα-helixtrans-64.3-43.9178.9-164-6.4000111.6V8 L9 S10 Y14 F15 L16V8-N12 WeakPolarHBondContact O-CB 3.49Å; V8-N12 PolarHBondContact O-N 3.31Å; L9-N12 PolarHBondContact O-N 3.31Å; S10-N12 VanDerWaalsContact C-N 3.33Å; S10-N12 PolarHBondContact O-N 3.43Å; N12-Y14 VanDerWaalsContact C-N 3.32Å; N12-Y14 PolarHBondContact O-N 2.83Å; N12-F15 PolarHBondContact O-N 3.33Å; N12-L16 WeakPolarHBondContact O-CB 3.4Å; N12-L16 VanDerWaalsContact O-CG 3.29Å; N12-L16 WeakPolarHBondContact O-CG 3.42Å; N12-L16 PolarHBondContact O-N 3.37Å
13R81.8Confident77.8Confident184 Ų184118.4 Ų118.469%0.69456%0.56SS**Hα-helixtrans-61.3-39.8173.5-74.5-178.4-162-169.73.9112.4L9 S10 R17L9-R13 WeakPolarHBondContact O-CB 3.47Å; L9-R13 WeakPolarHBondContact O-CG 3.14Å; L9-R13 PolarHBondContact O-N 3.05Å; S10-R13 PolarHBondContact O-N 3.41Å; R13-R17 VanDerWaalsContact O-CB 3.28Å; R13-R17 WeakPolarHBondContact O-CB 3.4Å; R13-R17 PolarHBondContact O-N 3.29Å
14Y79.4Confident77Confident160 Ų160114 Ų11463%0.62754%0.539SS*.Hα-helixtrans-65.9-42.5177.8-145.7-88.6000111S10 I11 N12 R17 L18S10-Y14 WeakPolarHBondContact O-CB 3.4Å; S10-Y14 PolarHBondContact O-N 3.36Å; I11-Y14 PolarHBondContact O-N 3.47Å; N12-Y14 VanDerWaalsContact C-N 3.32Å; N12-Y14 PolarHBondContact O-N 2.83Å; Y14-R17 PolarHBondContact O-N 3.05Å; Y14-L18 HydrophobicContact CD1-CD1 3.89Å; Y14-L18 HydrophobicContact CD1-CG 4.21Å; Y14-L18 HydrophobicContact CE1-CD1 4.24Å; Y14-L18 HydrophobicContact CE1-CG 4.44Å; Y14-L18 WeakPolarHBondContact O-CB 3.39Å; Y14-L18 VanDerWaalsContact O-CG 3.31Å; Y14-L18 WeakPolarHBondContact O-CG 3.45Å; Y14-L18 PolarHBondContact O-N 3.29Å
15F82.8Confident76.2Confident116 Ų116112.7 Ų112.751%0.50953%0.532SS..Hα-helixtrans-63.2-47.7175.4-175-96.2000112I11 N12 R17 L18 Q19I11-F15 WeakPolarHBondContact O-CB 3.35Å; I11-F15 PolarHBondContact O-N 2.86Å; N12-F15 PolarHBondContact O-N 3.33Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 3.25Å; F15-L18 WeakPolarHBondContact O-CB 3.34Å; F15-L18 PolarHBondContact O-N 2.84Å; F15-L18 VanDerWaalsContact O-N 3.16Å; F15-Q19 HydrophobicContact CD1-CG 4.11Å; F15-Q19 HydrophobicContact CE1-CG 3.78Å; F15-Q19 HydrophobicContact CZ-CG 4.12Å; F15-Q19 WeakPolarHBondContact O-CG 3.08Å; F15-Q19 PolarHBondContact O-N 2.87Å
16L79.5Confident75.2Confident99 Ų99112.3 Ų112.352%0.51853%0.53SS..Hα-helixtrans-60.9-39.5175.3-71.6169000111.7N12 Q19 H20N12-L16 WeakPolarHBondContact O-CB 3.4Å; N12-L16 VanDerWaalsContact O-CG 3.29Å; N12-L16 WeakPolarHBondContact O-CG 3.42Å; N12-L16 PolarHBondContact O-N 3.37Å; L16-Q19 PolarHBondContact O-N 3.48Å; L16-H20 WeakPolarHBondContact O-CB 3.5Å; L16-H20 PolarHBondContact O-N 3.27Å
17R83.4Confident73.9Confident183 Ų183109 Ų10969%0.69153%0.531SS*.Hα-helixtrans-64.8-40.8174.8-168.8174.9-167.2-172.83.4111.7R13 Y14 F15 Q19 H20 T21R13-R17 VanDerWaalsContact O-CB 3.28Å; R13-R17 WeakPolarHBondContact O-CB 3.4Å; R13-R17 PolarHBondContact O-N 3.29Å; Y14-R17 PolarHBondContact O-N 3.05Å; F15-R17 VanDerWaalsContact C-N 3.3Å; F15-R17 PolarHBondContact O-N 3.25Å; R17-Q19 VanDerWaalsContact C-N 3.35Å; R17-H20 PolarHBondContact O-N 3.04Å; R17-T21 PolarHBondContact O-N 3.03Å; R17-T21 PolarHBondContact O-OG1 3.01Å
18L76.8Confident72.9Confident89 Ų89107.6 Ų107.647%0.46653%0.533SS..Hα-helixtrans-65.7-36.6175-74.5171000112.3Y14 F15 T21 K22Y14-L18 HydrophobicContact CD1-CD1 3.89Å; Y14-L18 HydrophobicContact CD1-CG 4.21Å; Y14-L18 HydrophobicContact CE1-CD1 4.24Å; Y14-L18 HydrophobicContact CE1-CG 4.44Å; Y14-L18 WeakPolarHBondContact O-CB 3.39Å; Y14-L18 VanDerWaalsContact O-CG 3.31Å; Y14-L18 WeakPolarHBondContact O-CG 3.45Å; Y14-L18 PolarHBondContact O-N 3.29Å; F15-L18 WeakPolarHBondContact O-CB 3.34Å; F15-L18 PolarHBondContact O-N 2.84Å; F15-L18 VanDerWaalsContact O-N 3.16Å; L18-T21 WeakPolarHBondContact CA-OG1 3.31Å; L18-T21 PolarHBondContact O-OG1 3.13Å; L18-K22 VanDerWaalsContact O-CB 3.32Å; L18-K22 WeakPolarHBondContact O-CB 3.49Å; L18-K22 WeakPolarHBondContact O-CG 3.35Å; L18-K22 PolarHBondContact O-N 2.93Å
19Q79.4Confident71.6Confident112 Ų112107 Ų10752%0.52353%0.533SS..Hα-helixtrans-68.1-42.1174.1-67-135.7-47.500111.3F15 L16 R17 K22 S23F15-Q19 HydrophobicContact CD1-CG 4.11Å; F15-Q19 HydrophobicContact CE1-CG 3.78Å; F15-Q19 HydrophobicContact CZ-CG 4.12Å; F15-Q19 WeakPolarHBondContact O-CG 3.08Å; F15-Q19 PolarHBondContact O-N 2.87Å; L16-Q19 PolarHBondContact O-N 3.48Å; R17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-K22 PolarHBondContact O-N 2.9Å; Q19-S23 WeakPolarHBondContact O-CB 3.49Å; Q19-S23 PolarHBondContact O-N 3.38Å; Q19-S23 PolarHBondContact O-OG 3.35Å
20H70.9Confident69.9Low122 Ų122108.1 Ų108.157%0.56554%0.538SS*.Hα-helixtrans-67.9-40.2176.4-171.7-80.4000112.4L16 R17 S23 V24L16-H20 WeakPolarHBondContact O-CB 3.5Å; L16-H20 PolarHBondContact O-N 3.27Å; R17-H20 PolarHBondContact O-N 3.04Å; H20-S23 WeakPolarHBondContact CA-OG 3.43Å; H20-S23 PolarHBondContact O-N 3.42Å; H20-S23 PolarHBondContact O-OG 3.07Å; H20-V24 VanDerWaalsContact CE1-CG2 3.45Å; H20-V24 WeakPolarHBondContact CE1-CG2 3.39Å; H20-V24 WeakPolarHBondContact O-CB 3.33Å; H20-V24 VanDerWaalsContact O-CG2 3.25Å; H20-V24 WeakPolarHBondContact O-CG2 3.5Å; H20-V24 PolarHBondContact O-N 3.29Å
21T71.5Confident68.5Low61 Ų61107.5 Ų107.537%0.37454%0.544SS..Hα-helixtrans-68.9-37.3174.143.90000111.5R17 L18 S23 V24 L25R17-T21 PolarHBondContact O-N 3.03Å; R17-T21 PolarHBondContact O-OG1 3.01Å; L18-T21 WeakPolarHBondContact CA-OG1 3.31Å; L18-T21 PolarHBondContact O-OG1 3.13Å; T21-S23 VanDerWaalsContact C-N 3.35Å; T21-V24 PolarHBondContact O-N 3.32Å; T21-L25 VanDerWaalsContact O-CB 3.24Å; T21-L25 WeakPolarHBondContact O-CB 3.22Å; T21-L25 WeakPolarHBondContact O-CG 3.42Å; T21-L25 PolarHBondContact O-N 3.15Å
22K66.9Low67.5Low147 Ų147107.6 Ų107.664%0.63955%0.546SS*.Hα-helixtrans-61.5-41.3170-81.5-176.3175.3-174.40112.2L18 Q19 N26L18-K22 VanDerWaalsContact O-CB 3.32Å; L18-K22 WeakPolarHBondContact O-CB 3.49Å; L18-K22 WeakPolarHBondContact O-CG 3.35Å; L18-K22 PolarHBondContact O-N 2.93Å; Q19-K22 PolarHBondContact O-N 2.9Å; K22-N26 VanDerWaalsContact O-CB 3.23Å; K22-N26 WeakPolarHBondContact O-CB 3.24Å; K22-N26 VanDerWaalsContact O-CG 3.22Å; K22-N26 PolarHBondContact O-N 2.72Å
23S65Low66.8Low63 Ų63108.2 Ų108.244%0.44155%0.552SS.*Hα-helixtrans-68.5-39.317870.30000112Q19 H20 T21 N26 S27Q19-S23 WeakPolarHBondContact O-CB 3.49Å; Q19-S23 PolarHBondContact O-N 3.38Å; Q19-S23 PolarHBondContact O-OG 3.35Å; H20-S23 WeakPolarHBondContact CA-OG 3.43Å; H20-S23 PolarHBondContact O-N 3.42Å; H20-S23 PolarHBondContact O-OG 3.07Å; T21-S23 VanDerWaalsContact C-N 3.35Å; S23-N26 PolarHBondContact O-N 3.41Å; S23-S27 WeakPolarHBondContact O-CB 3.5Å; S23-S27 PolarHBondContact O-N 3.2Å; S23-S27 PolarHBondContact O-OG 3.17Å
24V64Low66.8Low43 Ų43104.6 Ų104.626%0.26154%0.543SS..Hα-helixtrans-68.8-43.8176.2172.20000111.2H20 T21 N26 S27 E28H20-V24 VanDerWaalsContact CE1-CG2 3.45Å; H20-V24 WeakPolarHBondContact CE1-CG2 3.39Å; H20-V24 WeakPolarHBondContact O-CB 3.33Å; H20-V24 VanDerWaalsContact O-CG2 3.25Å; H20-V24 WeakPolarHBondContact O-CG2 3.5Å; H20-V24 PolarHBondContact O-N 3.29Å; T21-V24 PolarHBondContact O-N 3.32Å; V24-N26 VanDerWaalsContact C-N 3.28Å; V24-N26 PolarHBondContact O-N 3.21Å; V24-S27 VanDerWaalsContact CA-OG 3.32Å; V24-S27 WeakPolarHBondContact CA-OG 3.23Å; V24-S27 PolarHBondContact O-N 3.29Å; V24-S27 VanDerWaalsContact O-N 3.14Å; V24-S27 PolarHBondContact O-OG 3.24Å; V24-E28 HydrophobicContact CG1-CG 4.06Å; V24-E28 VanDerWaalsContact O-CB 3.29Å; V24-E28 WeakPolarHBondContact O-CB 3.47Å; V24-E28 WeakPolarHBondContact O-CG 3.38Å; V24-E28 PolarHBondContact O-N 3.45Å
25L61.4Low67.2Low105 Ų105100.5 Ų100.555%0.5553%0.532SS..Hα-helixtrans-64-35.5174.5-70.3171.7000111.5T21 S29T21-L25 VanDerWaalsContact O-CB 3.24Å; T21-L25 WeakPolarHBondContact O-CB 3.22Å; T21-L25 WeakPolarHBondContact O-CG 3.42Å; T21-L25 PolarHBondContact O-N 3.15Å; L25-S29 WeakPolarHBondContact O-CB 3.46Å; L25-S29 PolarHBondContact O-N 3.29Å; L25-S29 PolarHBondContact O-OG 3.34Å
26N55.4Low67.7Low93 Ų9396.7 Ų96.750%0.49752%0.515SS..Hα-helixtrans-69.3-39.3171.9-79.1-4.4000111.6K22 S23 V24 L30K22-N26 VanDerWaalsContact O-CB 3.23Å; K22-N26 WeakPolarHBondContact O-CB 3.24Å; K22-N26 VanDerWaalsContact O-CG 3.22Å; K22-N26 PolarHBondContact O-N 2.72Å; S23-N26 PolarHBondContact O-N 3.41Å; V24-N26 VanDerWaalsContact C-N 3.28Å; V24-N26 PolarHBondContact O-N 3.21Å; N26-L30 HydrophobicContact CB-CD1 3.76Å; N26-L30 WeakPolarHBondContact O-CB 3.35Å; N26-L30 WeakPolarHBondContact O-CD1 3.31Å; N26-L30 WeakPolarHBondContact O-CG 3.43Å; N26-L30 PolarHBondContact O-N 2.89Å; N26-L30 VanDerWaalsContact O-N 3.16Å
27S52.5Low68.3Low88 Ų8897.8 Ų97.862%0.61553%0.528SS*.Hα-helixtrans-74.9-31.3178.862.20000113.6S23 V24S23-S27 WeakPolarHBondContact O-CB 3.5Å; S23-S27 PolarHBondContact O-N 3.2Å; S23-S27 PolarHBondContact O-OG 3.17Å; V24-S27 VanDerWaalsContact CA-OG 3.32Å; V24-S27 WeakPolarHBondContact CA-OG 3.23Å; V24-S27 PolarHBondContact O-N 3.29Å; V24-S27 VanDerWaalsContact O-N 3.14Å; V24-S27 PolarHBondContact O-OG 3.24Å
28E53Low68.8Low155 Ų15590.7 Ų90.772%0.72451%0.511SS*.Hα-helixtrans-86.5-24.5-179.8-70.5-175.5163.200112.6V24V24-E28 HydrophobicContact CG1-CG 4.06Å; V24-E28 VanDerWaalsContact O-CB 3.29Å; V24-E28 WeakPolarHBondContact O-CB 3.47Å; V24-E28 WeakPolarHBondContact O-CG 3.38Å; V24-E28 PolarHBondContact O-N 3.45Å
29S51.4Low69.7Low72 Ų7286.8 Ų86.850%0.50349%0.491SS..Hα-helixtrans-105.8-4.6179.376.70000115.9L25L25-S29 WeakPolarHBondContact O-CB 3.46Å; L25-S29 PolarHBondContact O-N 3.29Å; L25-S29 PolarHBondContact O-OG 3.34Å
30L47Very low70.5Confident105 Ų10584.3 Ų84.355%0.5548%0.48SS..  trans-114.943.1-175.8-54.8170.5000113.5N26 D32N26-L30 HydrophobicContact CB-CD1 3.76Å; N26-L30 WeakPolarHBondContact O-CB 3.35Å; N26-L30 WeakPolarHBondContact O-CD1 3.31Å; N26-L30 WeakPolarHBondContact O-CG 3.43Å; N26-L30 PolarHBondContact O-N 2.89Å; N26-L30 VanDerWaalsContact O-N 3.16Å; L30-D32 PolarHBondContact O-N 3.34Å
31G52.4Low71.7Confident61 Ų6182.5 Ų82.563%0.62947%0.471SS*.SBendtrans-55.8127.2139.200000106.3V33G31-V33 PolarHBondContact O-N 2.76Å
32D59.6Low72.8Confident120 Ų12080.8 Ų80.864%0.64246%0.46SS*.  trans-40.797.6-173.1-92.6-49.5000112.3L30 E34 K41L30-D32 PolarHBondContact O-N 3.34Å; D32-E34 PolarHBondContact O-N 3.19Å; D32-K41 HydrophobicContact CB-CD 4.18Å; D32-K41 VanDerWaalsContact OD1-CD 3.28Å; D32-K41 WeakPolarHBondContact OD1-CD 3.25Å; D32-K41 IonicContact OD1-NZ 2.82Å; D32-K41 PolarHBondContact OD1-NZ 3.09Å
33V70Confident74.2Confident95 Ų9577.5 Ų77.558%0.57645%0.453SS*.  trans-60.1115.3177179.20000106.2G31 N35 K41G31-V33 PolarHBondContact O-N 2.76Å; V33-N35 PolarHBondContact O-N 3.4Å; V33-K41 WeakPolarHBondContact O-CE 3.37Å; V33-K41 PolarHBondContact O-NZ 3.06Å; V33-K41 VanDerWaalsContact O-NZ 3.1Å
34E80.1Confident75.7Confident108 Ų10883 Ų8351%0.50547%0.469SS..  trans-62.2132174.4-67-175-175.800108.2D32 Y36 G38 H39D32-E34 PolarHBondContact O-N 3.19Å; E34-Y36 PolarHBondContact O-N 3.14Å; E34-G38 PolarHBondContact OE2-N 3.13Å; E34-H39 HydrophobicContact CB-CB 4.41Å
35N88.3Confident77.3Confident74 Ų7485.1 Ų85.140%0.39649%0.486SS..SBendtrans-67.9-23.3-179.5-67.2-15.7000111.8V33 H39 D146 P148V33-N35 PolarHBondContact O-N 3.4Å; N35-H39 PolarHBondContact N-ND1 3.09Å; N35-H39 PolarHBondContact ND2-CE1 3.16Å; N35-D146 PolarHBondContact ND2-O 2.81Å; N35-P148 HydrophobicContact CB-CG 4.07Å; N35-P148 WeakPolarHBondContact O-CG 3.32Å
36Y93.1Very high79Confident36 Ų3684.9 Ų84.914%0.14148%0.482CS..SBendtrans-162.8161.4172.154.4-92.6000108.7E34 G38 H39 V142 V145 P148 S151E34-Y36 PolarHBondContact O-N 3.14Å; Y36-G38 PolarHBondContact O-N 2.9Å; Y36-H39 HydrophobicContact CD1-CB 4.17Å; Y36-H39 HydrophobicContact CD2-CB 3.99Å; Y36-H39 HydrophobicContact CE1-CB 3.94Å; Y36-H39 AromaticContact CE1-CD2 3.98Å; Y36-H39 AromaticContact CE1-CG 4Å; Y36-H39 HydrophobicContact CE2-CB 3.76Å; Y36-H39 HydrophobicContact CG-CB 4.19Å; Y36-H39 AromaticContact CZ-CD2 3.85Å; Y36-H39 WeakPolarHBondContact O-CB 3.49Å; Y36-H39 PolarHBondContact O-N 3.44Å; Y36-V142 WeakPolarHBondContact CE2-O 3.49Å; Y36-V145 WeakPolarHBondContact CE1-O 3.24Å; Y36-V145 VanDerWaalsContact CZ-O 3.31Å; Y36-V145 PolarHBondContact OH-O 3.14Å; Y36-P148 HydrophobicContact CD1-CB 4.15Å; Y36-P148 HydrophobicContact CD1-CG 4.22Å; Y36-S151 VanDerWaalsContact CE1-CB 3.45Å; Y36-S151 WeakPolarHBondContact CE1-OG 3.39Å; Y36-S151 VanDerWaalsContact CZ-CB 3.48Å
37P92.7Very high81Confident122 Ų12282 Ų8279%0.79247%0.465SS*.THydrogen-bonded Turntrans-54.1123.3-175.1-27.335.1000113.3H39P37-H39 VanDerWaalsContact C-N 3.35Å
38G93.5Very high83.2Confident34 Ų3480.4 Ų80.435%0.35145%0.453SS..THydrogen-bonded Turntrans82.77.7177.800000114.9E34 Y36E34-G38 PolarHBondContact OE2-N 3.13Å; Y36-G38 PolarHBondContact O-N 2.9Å
39H96.6Very high85.4Confident7 Ų779.1 Ų79.13%0.03245%0.451CS..  trans-63.8133.1171.5173.9-128.4000110.9E34 N35 Y36 P37 K41 R143 D146E34-H39 HydrophobicContact CB-CB 4.41Å; N35-H39 PolarHBondContact N-ND1 3.09Å; N35-H39 PolarHBondContact ND2-CE1 3.16Å; Y36-H39 HydrophobicContact CD1-CB 4.17Å; Y36-H39 HydrophobicContact CD2-CB 3.99Å; Y36-H39 HydrophobicContact CE1-CB 3.94Å; Y36-H39 AromaticContact CE1-CD2 3.98Å; Y36-H39 AromaticContact CE1-CG 4Å; Y36-H39 HydrophobicContact CE2-CB 3.76Å; Y36-H39 HydrophobicContact CG-CB 4.19Å; Y36-H39 AromaticContact CZ-CD2 3.85Å; Y36-H39 WeakPolarHBondContact O-CB 3.49Å; Y36-H39 PolarHBondContact O-N 3.44Å; P37-H39 VanDerWaalsContact C-N 3.35Å; H39-K41 VanDerWaalsContact CE1-CG 3.45Å; H39-K41 WeakPolarHBondContact CE1-CG 3.49Å; H39-R143 PolarHBondContact CD2-O 2.95Å; H39-R143 VanDerWaalsContact CD2-O 3.32Å; H39-D146 IonicContact CE1-OD1 2.71Å; H39-D146 IonicContact NE2-OD1 3.53Å; H39-D146 PolarHBondContact NE2-OD1 3.4Å
40I95.9Very high87.6Confident59 Ų5978.4 Ų78.430%0.30344%0.441SS..  trans-112.8111.1173.1-59.4173.4000108.2T42 R143 F144I40-T42 HydrophobicContact CG2-CG2 4.34Å; I40-T42 PolarHBondContact O-N 3.05Å; I40-R143 HydrophobicContact CD1-CB 4.32Å; I40-R143 HydrophobicContact CG1-CB 4.43Å; I40-R143 PolarHBondContact N-O 3.35Å; I40-F144 HydrophobicContact CB-CD1 4.06Å; I40-F144 HydrophobicContact CB-CE1 3.92Å; I40-F144 HydrophobicContact CD1-CE1 3.78Å; I40-F144 HydrophobicContact CD1-CZ 4.1Å; I40-F144 HydrophobicContact CG1-CE1 4.43Å; I40-F144 HydrophobicContact CG2-CD1 4.36Å; I40-F144 HydrophobicContact CG2-CE1 4.03Å
41K95.2Very high90Very high84 Ų8474.3 Ų74.337%0.36542%0.421SS..  trans-63.5133.9170-69.4-179.4-169.6174.90110D32 V33 H39D32-K41 HydrophobicContact CB-CD 4.18Å; D32-K41 VanDerWaalsContact OD1-CD 3.28Å; D32-K41 WeakPolarHBondContact OD1-CD 3.25Å; D32-K41 IonicContact OD1-NZ 2.82Å; D32-K41 PolarHBondContact OD1-NZ 3.09Å; V33-K41 WeakPolarHBondContact O-CE 3.37Å; V33-K41 PolarHBondContact O-NZ 3.06Å; V33-K41 VanDerWaalsContact O-NZ 3.1Å; H39-K41 VanDerWaalsContact CE1-CG 3.45Å; H39-K41 WeakPolarHBondContact CE1-CG 3.49Å
42T94.7Very high92.2Very high25 Ų2576.5 Ų76.515%0.15342%0.418CS..  trans-129.3140.4178.250.10000110I40 Q46 K47 L50 F144I40-T42 HydrophobicContact CG2-CG2 4.34Å; I40-T42 PolarHBondContact O-N 3.05Å; T42-Q46 HydrophobicContact CG2-CB 4.45Å; T42-K47 WeakPolarHBondContact OG1-CE 3.27Å; T42-L50 HydrophobicContact CG2-CD1 3.94Å; T42-F144 HydrophobicContact CG2-CD1 3.86Å; T42-F144 HydrophobicContact CG2-CE1 4.37Å
43T96.4Very high94.1Very high78 Ų7872.8 Ų72.848%0.47941%0.408SS..  trans-70.4162.3166.467.90000110S45 Q46 K47T43-S45 VanDerWaalsContact C-N 3.26Å; T43-S45 PolarHBondContact O-N 3.07Å; T43-Q46 PolarHBondContact O-N 2.57Å; T43-Q46 VanDerWaalsContact O-N 3.15Å; T43-Q46 VanDerWaalsContact OG1-CG 3.3Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 2.92Å; T43-Q46 PolarHBondContact OG1-OE1 3.4Å; T43-K47 WeakPolarHBondContact O-CB 3.48Å; T43-K47 PolarHBondContact O-N 3.11Å
44F96.1Very high95.4Very high180 Ų18068.6 Ų68.679%0.78938%0.383SS*.Hα-helixtrans-53.2-44.8175.3177.4-99.9000112.2K47 C48F44-K47 PolarHBondContact O-N 3.08Å; F44-C48 WeakPolarHBondContact O-CB 3.37Å; F44-C48 PolarHBondContact O-N 3.39Å
45S97.7Very high96.3Very high87 Ų8764 Ų6461%0.60837%0.365SS*.Hα-helixtrans-65.1-41.9178.4-520000112.4T43 C48 L49T43-S45 VanDerWaalsContact C-N 3.26Å; T43-S45 PolarHBondContact O-N 3.07Å; S45-C48 PolarHBondContact O-N 3.03Å; S45-L49 WeakPolarHBondContact O-CB 3.42Å; S45-L49 PolarHBondContact O-N 2.91Å
46Q98Very high96.7Very high100 Ų10065.4 Ų65.447%0.46737%0.371SS..Hα-helixtrans-62.9-43.3175-73.9167.8-18.100111.3T42 T43 L49 L50T42-Q46 HydrophobicContact CG2-CB 4.45Å; T43-Q46 PolarHBondContact O-N 2.57Å; T43-Q46 VanDerWaalsContact O-N 3.15Å; T43-Q46 VanDerWaalsContact OG1-CG 3.3Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.48Å; T43-Q46 PolarHBondContact OG1-N 2.92Å; T43-Q46 PolarHBondContact OG1-OE1 3.4Å; Q46-L49 PolarHBondContact O-N 2.75Å; Q46-L50 WeakPolarHBondContact O-CB 3.39Å; Q46-L50 VanDerWaalsContact O-CG 3.28Å; Q46-L50 WeakPolarHBondContact O-CG 3.43Å; Q46-L50 PolarHBondContact O-N 3.01Å
47K97.7Very high97Very high31 Ų3164.5 Ų64.514%0.13537%0.372CS..Hα-helixtrans-64.6-42.7178.2-169.1167.4-59.9-150.40111.8T42 T43 F44 L50 S51 T74 F144 D146T42-K47 WeakPolarHBondContact OG1-CE 3.27Å; T43-K47 WeakPolarHBondContact O-CB 3.48Å; T43-K47 PolarHBondContact O-N 3.11Å; F44-K47 PolarHBondContact O-N 3.08Å; K47-L50 PolarHBondContact O-N 3.41Å; K47-S51 WeakPolarHBondContact O-CB 3.1Å; K47-S51 PolarHBondContact O-N 3.41Å; K47-T74 HydrophobicContact CG-CG2 4.02Å; K47-F144 PolarHBondContact NZ-O 3.16Å; K47-D146 IonicContact NZ-OD2 2.71Å; K47-D146 PolarHBondContact NZ-OD2 3.15Å
48C98.2Very high97.1Very high56 Ų5659.8 Ų59.838%0.37834%0.342SS..Hα-helixtrans-61.4-47175.1-174.50000111.6F44 S45 S51 L52F44-C48 WeakPolarHBondContact O-CB 3.37Å; F44-C48 PolarHBondContact O-N 3.39Å; S45-C48 PolarHBondContact O-N 3.03Å; C48-S51 PolarHBondContact O-N 2.88Å; C48-L52 WeakPolarHBondContact O-CG 3.34Å; C48-L52 PolarHBondContact O-N 3.11Å
49L98.4Very high97.3Very high128 Ų12865.5 Ų65.567%0.6736%0.364SS*.Hα-helixtrans-62.3-44.7177.5-17863.2000112.1S45 Q46 S51 L52 G53S45-L49 WeakPolarHBondContact O-CB 3.42Å; S45-L49 PolarHBondContact O-N 2.91Å; Q46-L49 PolarHBondContact O-N 2.75Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.09Å; L49-L52 PolarHBondContact O-N 3.47Å; L49-G53 PolarHBondContact O-N 3.25Å
50L98Very high97.3Very high56 Ų5671.7 Ų71.729%0.29340%0.396SS..Hα-helixtrans-59.5-45175-75.9170.1000111.1T42 Q46 K47 S54 T70 T74 F144T42-L50 HydrophobicContact CG2-CD1 3.94Å; Q46-L50 WeakPolarHBondContact O-CB 3.39Å; Q46-L50 VanDerWaalsContact O-CG 3.28Å; Q46-L50 WeakPolarHBondContact O-CG 3.43Å; Q46-L50 PolarHBondContact O-N 3.01Å; K47-L50 PolarHBondContact O-N 3.41Å; L50-S54 WeakPolarHBondContact O-CB 3.35Å; L50-S54 PolarHBondContact O-N 2.94Å; L50-S54 PolarHBondContact O-OG 2.71Å; L50-T70 HydrophobicContact CB-CG2 4.17Å; L50-T70 HydrophobicContact CD2-CG2 4.25Å; L50-T74 HydrophobicContact CB-CG2 3.99Å; L50-T74 HydrophobicContact CD1-CG2 4.46Å; L50-F144 HydrophobicContact CD1-CD1 3.96Å; L50-F144 HydrophobicContact CD1-CE1 3.88Å; L50-F144 HydrophobicContact CD1-CG 4.44Å; L50-F144 HydrophobicContact CD1-CZ 4.31Å
51S98.3Very high97.3Very high19 Ų1972.1 Ų72.113%0.13340%0.399CS..Hα-helixtrans-61.2-52.6178.5-170.20000111.7K47 C48 L49 S54 G55 F71 T74K47-S51 WeakPolarHBondContact O-CB 3.1Å; K47-S51 PolarHBondContact O-N 3.41Å; C48-S51 PolarHBondContact O-N 2.88Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.09Å; S51-S54 PolarHBondContact O-OG 3.06Å; S51-G55 PolarHBondContact O-N 3.2Å; S51-F71 WeakPolarHBondContact O-CD2 3.3Å; S51-T74 VanDerWaalsContact CA-OG1 3.24Å; S51-T74 WeakPolarHBondContact CA-OG1 3.38Å; S51-T74 WeakPolarHBondContact CB-OG1 3.27Å
52L98.3Very high97.3Very high107 Ų10772.8 Ų72.856%0.5641%0.412SS*.Hα-helixtrans-63.4-48.2-179.7-68.7173.6000112.2C48 L49 G55 I56C48-L52 WeakPolarHBondContact O-CG 3.34Å; C48-L52 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.47Å; L52-G55 PolarHBondContact O-N 3.16Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.07Å
53G98.3Very high97.2Very high43 Ų4382.7 Ų82.744%0.44345%0.446SS..Hα-helixtrans-64.6-44.1-177.800000112.7L49 G57L49-G53 PolarHBondContact O-N 3.25Å; G53-G57 PolarHBondContact O-N 3.05Å
54S98Very high97Very high6 Ų684.2 Ų84.24%0.04244%0.443CS..Hα-helixtrans-69.5-36.7177.263.20000112.7L50 S51 G57 C58 L67 F71L50-S54 WeakPolarHBondContact O-CB 3.35Å; L50-S54 PolarHBondContact O-N 2.94Å; L50-S54 PolarHBondContact O-OG 2.71Å; S51-S54 PolarHBondContact O-OG 3.06Å; S54-G57 PolarHBondContact O-N 3.49Å; S54-C58 VanDerWaalsContact O-CB 3.23Å; S54-C58 WeakPolarHBondContact O-CB 3.33Å; S54-C58 PolarHBondContact O-N 3.35Å; S54-L67 WeakPolarHBondContact CB-O 3.19Å; S54-F71 WeakPolarHBondContact OG-CA 3.4Å; S54-F71 WeakPolarHBondContact OG-CB 3.5Å; S54-F71 PolarHBondContact OG-N 2.88Å
55G98.1Very high96.9Very high12 Ų1278.6 Ų78.612%0.12443%0.43CS..Hα-helixtrans-61.7-50.817400000112.6S51 L52 G57 C58 L59S51-G55 PolarHBondContact O-N 3.2Å; L52-G55 PolarHBondContact O-N 3.16Å; G55-G57 PolarHBondContact O-N 3.2Å; G55-C58 PolarHBondContact O-N 3.13Å; G55-L59 PolarHBondContact O-N 3.24Å; G55-L59 VanDerWaalsContact O-N 3.11Å
56I98.4Very high96.7Very high103 Ų10376.9 Ų76.953%0.52841%0.414SS..Hα-helixtrans-60.9-46.2176.6-68.5167.3000110.8L52 C58 L59 I60L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.07Å; I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 2.94Å; I56-L59 WeakPolarHBondContact O-CB 3.19Å; I56-L59 PolarHBondContact O-N 3.12Å; I56-L59 VanDerWaalsContact O-N 3.15Å; I56-I60 HydrophobicContact CG2-CD1 3.87Å; I56-I60 WeakPolarHBondContact O-CG1 3.36Å; I56-I60 PolarHBondContact O-N 3.34Å
57G98.1Very high96.7Very high17 Ų1773.7 Ų73.718%0.17540%0.4CS..Hα-helixtrans-64.2-33.9179.200000113.2G53 S54 G55 I60 N61G53-G57 PolarHBondContact O-N 3.05Å; S54-G57 PolarHBondContact O-N 3.49Å; G55-G57 PolarHBondContact O-N 3.2Å; G57-I60 PolarHBondContact O-N 3.47Å; G57-N61 PolarHBondContact O-N 2.88Å
58C95.7Very high96.6Very high24 Ų2476.9 Ų76.916%0.16242%0.418CS..Hα-helixtrans-67-34.8173.7-171.50000112.4S54 G55 I56 N61 P62 L67S54-C58 VanDerWaalsContact O-CB 3.23Å; S54-C58 WeakPolarHBondContact O-CB 3.33Å; S54-C58 PolarHBondContact O-N 3.35Å; G55-C58 PolarHBondContact O-N 3.13Å; I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 2.94Å; C58-N61 CarbonylContact O-C 3.25Å; C58-N61 VanDerWaalsContact O-C 3.31Å; C58-P62 WeakPolarHBondContact O-CA 3.09Å; C58-L67 HydrophobicContact CB-CB 4.41Å
59L96.7Very high96.5Very high154 Ų15474.9 Ų74.981%0.80640%0.404SS*.Hα-helixtrans-69.4-38.5174.5-69.8173.3000112.1G55 I56G55-L59 PolarHBondContact O-N 3.24Å; G55-L59 VanDerWaalsContact O-N 3.11Å; I56-L59 WeakPolarHBondContact O-CB 3.19Å; I56-L59 PolarHBondContact O-N 3.12Å; I56-L59 VanDerWaalsContact O-N 3.15Å
60I98Very high96.5Very high137 Ų13769.9 Ų69.970%0.70338%0.379SS*.Hα-helixtrans-70.5-41176.9-68.2165.4000111I56 G57I56-I60 HydrophobicContact CG2-CD1 3.87Å; I56-I60 WeakPolarHBondContact O-CG1 3.36Å; I56-I60 PolarHBondContact O-N 3.34Å; G57-I60 PolarHBondContact O-N 3.47Å
61N96.2Very high96.4Very high68 Ų6870.9 Ų70.936%0.36438%0.382SS..  trans-140.193.7-179.6-174.2-2.8000111.4G57 C58 R63 R64G57-N61 PolarHBondContact O-N 2.88Å; C58-N61 CarbonylContact O-C 3.25Å; C58-N61 VanDerWaalsContact O-C 3.31Å; N61-R63 PolarHBondContact O-N 3.37Å; N61-R63 VanDerWaalsContact O-N 3.13Å; N61-R63 WeakPolarHBondContact OD1-CB 3.5Å; N61-R63 PolarHBondContact OD1-N 3.02Å; N61-R63 VanDerWaalsContact OD1-N 3.09Å; N61-R64 HydrophobicContact CB-CG 4.11Å; N61-R64 WeakPolarHBondContact O-CB 3.32Å; N61-R64 PolarHBondContact O-N 3.24Å; N61-R64 VanDerWaalsContact O-N 3.14Å
62P93.2Very high96.4Very high97 Ų9771 Ų7163%0.6339%0.385SS*.THydrogen-bonded Turntrans-69.9-9.3-179.228.2-35.6000113.6C58 R64C58-P62 WeakPolarHBondContact O-CA 3.09Å; P62-R64 PolarHBondContact O-N 2.78Å
63R92.8Very high96.4Very high233 Ų23366.2 Ų66.288%0.87936%0.36SS*.THydrogen-bonded Turntrans-76.8-8.9174-59.8-176.5175.2178.9-1.2112.7N61 A65N61-R63 PolarHBondContact O-N 3.37Å; N61-R63 VanDerWaalsContact O-N 3.13Å; N61-R63 WeakPolarHBondContact OD1-CB 3.5Å; N61-R63 PolarHBondContact OD1-N 3.02Å; N61-R63 VanDerWaalsContact OD1-N 3.09Å; R63-A65 VanDerWaalsContact C-N 3.35Å; R63-A65 PolarHBondContact O-N 3.43Å; R63-A65 VanDerWaalsContact O-N 3.09Å
64R93.6Very high96.4Very high111 Ų11165 Ų6542%0.41934%0.344SS..  trans-81.479.5175.1-70.7-70.7-61.4-95-2.5110.5N61 P62 D66 L67 L68N61-R64 HydrophobicContact CB-CG 4.11Å; N61-R64 WeakPolarHBondContact O-CB 3.32Å; N61-R64 PolarHBondContact O-N 3.24Å; N61-R64 VanDerWaalsContact O-N 3.14Å; P62-R64 PolarHBondContact O-N 2.78Å; R64-D66 WeakPolarHBondContact CA-OD1 3.17Å; R64-D66 WeakPolarHBondContact CB-OD1 3.36Å; R64-D66 IonicContact CZ-OD1 3.22Å; R64-D66 IonicContact CZ-OD2 2.85Å; R64-D66 IonicContact NE-OD1 2.67Å; R64-D66 PolarHBondContact NE-OD1 3.04Å; R64-D66 IonicContact NE-OD2 2.72Å; R64-D66 PolarHBondContact NE-OD2 3.28Å; R64-D66 IonicContact NH2-OD1 3.41Å; R64-D66 IonicContact NH2-OD2 3.2Å; R64-D66 PolarHBondContact NH2-OD2 3.24Å; R64-D66 PolarHBondContact O-N 3.43Å; R64-L67 HydrophobicContact CB-CB 4.06Å; R64-L67 HydrophobicContact CB-CD1 3.65Å; R64-L67 HydrophobicContact CB-CG 3.78Å; R64-L67 HydrophobicContact CG-CD1 4.01Å; R64-L67 HydrophobicContact CG-CG 4.49Å; R64-L67 PolarHBondContact O-N 3.24Å; R64-L68 PolarHBondContact O-N 2.83Å
65A92.5Very high96.3Very high61 Ų6167.5 Ų67.550%0.50436%0.362SS..Hα-helixtrans-59.5-28.9178.400000112.9R63 L68 S69R63-A65 VanDerWaalsContact C-N 3.35Å; R63-A65 PolarHBondContact O-N 3.43Å; R63-A65 VanDerWaalsContact O-N 3.09Å; A65-L68 PolarHBondContact O-N 3.18Å; A65-S69 WeakPolarHBondContact O-CB 3.47Å; A65-S69 PolarHBondContact O-N 3.17Å
66D95.3Very high96.3Very high51 Ų5167.8 Ų67.827%0.27336%0.364SS..Hα-helixtrans-61.4-42.6172.763.1-50.7000112.1R64 S69 T70R64-D66 WeakPolarHBondContact CA-OD1 3.17Å; R64-D66 WeakPolarHBondContact CB-OD1 3.36Å; R64-D66 IonicContact CZ-OD1 3.22Å; R64-D66 IonicContact CZ-OD2 2.85Å; R64-D66 IonicContact NE-OD1 2.67Å; R64-D66 PolarHBondContact NE-OD1 3.04Å; R64-D66 IonicContact NE-OD2 2.72Å; R64-D66 PolarHBondContact NE-OD2 3.28Å; R64-D66 IonicContact NH2-OD1 3.41Å; R64-D66 IonicContact NH2-OD2 3.2Å; R64-D66 PolarHBondContact NH2-OD2 3.24Å; R64-D66 PolarHBondContact O-N 3.43Å; D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 2.57Å; D66-T70 PolarHBondContact O-N 3.18Å; D66-T70 PolarHBondContact O-OG1 3.38Å; D66-T70 VanDerWaalsContact O-OG1 3.12Å
67L97Very high96.2Very high33 Ų3366.6 Ų66.617%0.17336%0.357CS..Hα-helixtrans-69.8-42.9177.4-61.4-179.7000111.3S54 C58 R64 S69 T70 F71S54-L67 WeakPolarHBondContact CB-O 3.19Å; C58-L67 HydrophobicContact CB-CB 4.41Å; R64-L67 HydrophobicContact CB-CB 4.06Å; R64-L67 HydrophobicContact CB-CD1 3.65Å; R64-L67 HydrophobicContact CB-CG 3.78Å; R64-L67 HydrophobicContact CG-CD1 4.01Å; R64-L67 HydrophobicContact CG-CG 4.49Å; R64-L67 PolarHBondContact O-N 3.24Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.96Å; L67-T70 PolarHBondContact O-N 3.32Å; L67-F71 WeakPolarHBondContact O-CB 3.39Å; L67-F71 PolarHBondContact O-N 2.79Å
68L95.3Very high96.2Very high98 Ų9872.9 Ų72.951%0.51339%0.385SS..Hα-helixtrans-59-41.7174-179.462.7000111.4R64 A65 F71 G72R64-L68 PolarHBondContact O-N 2.83Å; A65-L68 PolarHBondContact O-N 3.18Å; L68-F71 PolarHBondContact O-N 3.46Å; L68-G72 PolarHBondContact O-N 3.19Å
69S96.1Very high96.3Very high14 Ų1474.4 Ų74.410%0.09840%0.4CS..Hα-helixtrans-59.6-54175.3176.40000111.4A65 D66 L67 F71 G72 E73 R158A65-S69 WeakPolarHBondContact O-CB 3.47Å; A65-S69 PolarHBondContact O-N 3.17Å; D66-S69 WeakPolarHBondContact O-CB 3.38Å; D66-S69 PolarHBondContact O-N 2.57Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.96Å; S69-F71 VanDerWaalsContact C-N 3.34Å; S69-F71 PolarHBondContact O-N 3.32Å; S69-G72 PolarHBondContact O-N 3.12Å; S69-E73 WeakPolarHBondContact O-CG 3.46Å; S69-E73 PolarHBondContact O-N 3.49Å; S69-E73 VanDerWaalsContact O-N 3.08Å; S69-E73 PolarHBondContact OG-OE1 3.39Å; S69-R158 PolarHBondContact O-NH2 3.48Å; S69-R158 PolarHBondContact OG-NH1 2.98Å; S69-R158 PolarHBondContact OG-NH2 3.28Å
70T97.6Very high96.4Very high24 Ų2467.3 Ų67.315%0.14736%0.363CS..Hα-helixtrans-60.6-42.2178.4-62.70000112L50 D66 L67 E73 T74 F144L50-T70 HydrophobicContact CB-CG2 4.17Å; L50-T70 HydrophobicContact CD2-CG2 4.25Å; D66-T70 PolarHBondContact O-N 3.18Å; D66-T70 PolarHBondContact O-OG1 3.38Å; D66-T70 VanDerWaalsContact O-OG1 3.12Å; L67-T70 PolarHBondContact O-N 3.32Å; T70-E73 PolarHBondContact O-N 2.86Å; T70-T74 HydrophobicContact CG2-CG2 4.37Å; T70-T74 WeakPolarHBondContact O-CB 3.34Å; T70-T74 WeakPolarHBondContact O-CG2 3.26Å; T70-T74 PolarHBondContact O-N 3.38Å; T70-T74 PolarHBondContact O-OG1 3.04Å; T70-F144 HydrophobicContact CG2-CD2 4.15Å; T70-F144 HydrophobicContact CG2-CE2 4Å
71F97.8Very high96.4Very high77 Ų7766 Ų6634%0.33835%0.349SS..Hα-helixtrans-60.8-49.8178.8-177.9-120.5000110.8S51 S54 L67 L68 S69 E73 T74 S75S51-F71 WeakPolarHBondContact O-CD2 3.3Å; S54-F71 WeakPolarHBondContact OG-CA 3.4Å; S54-F71 WeakPolarHBondContact OG-CB 3.5Å; S54-F71 PolarHBondContact OG-N 2.88Å; L67-F71 WeakPolarHBondContact O-CB 3.39Å; L67-F71 PolarHBondContact O-N 2.79Å; L68-F71 PolarHBondContact O-N 3.46Å; S69-F71 VanDerWaalsContact C-N 3.34Å; S69-F71 PolarHBondContact O-N 3.32Å; F71-E73 VanDerWaalsContact C-N 3.32Å; F71-E73 PolarHBondContact O-N 3.28Å; F71-T74 PolarHBondContact O-N 2.84Å; F71-T74 PolarHBondContact O-OG1 3.25Å; F71-S75 WeakPolarHBondContact O-CB 3.4Å; F71-S75 PolarHBondContact O-N 3.22Å; F71-S75 PolarHBondContact O-OG 3.03Å
72G97.2Very high96.5Very high20 Ų2068.9 Ų68.921%0.20636%0.358CS..Hα-helixtrans-61.7-36.4179.200000113.7L68 S69 G76L68-G72 PolarHBondContact O-N 3.19Å; S69-G72 PolarHBondContact O-N 3.12Å; G72-G76 VanDerWaalsContact O-CA 3.3Å; G72-G76 WeakPolarHBondContact O-CA 3.49Å; G72-G76 PolarHBondContact O-N 3.01Å
73E98Very high96.7Very high7 Ų767 Ų673%0.03334%0.342CS..Hα-helixtrans-68.9-38.6177-71.1173.1-140.300112.7S69 T70 F71 V142 R143 F144 V145 M154 R158S69-E73 WeakPolarHBondContact O-CG 3.46Å; S69-E73 PolarHBondContact O-N 3.49Å; S69-E73 VanDerWaalsContact O-N 3.08Å; S69-E73 PolarHBondContact OG-OE1 3.39Å; T70-E73 PolarHBondContact O-N 2.86Å; F71-E73 VanDerWaalsContact C-N 3.32Å; F71-E73 PolarHBondContact O-N 3.28Å; E73-V142 HydrophobicContact CG-CG1 4.03Å; E73-R143 PolarHBondContact OE2-N 3.2Å; E73-F144 HydrophobicContact CB-CB 4.1Å; E73-F144 WeakPolarHBondContact OE2-CD2 3.49Å; E73-F144 PolarHBondContact OE2-N 3.24Å; E73-V145 HydrophobicContact CB-CG2 3.99Å; E73-V145 HydrophobicContact CG-CG2 4.12Å; E73-M154 HydrophobicContact CG-CE 4.14Å; E73-M154 HydrophobicContact CG-CG 4.26Å; E73-R158 VanDerWaalsContact CD-NH2 3.32Å; E73-R158 IonicContact OE1-CZ 3.78Å; E73-R158 IonicContact OE1-NH1 3.34Å; E73-R158 PolarHBondContact OE1-NH1 3.27Å; E73-R158 IonicContact OE1-NH2 3.41Å; E73-R158 PolarHBondContact OE1-NH2 3.35Å
74T97.9Very high97Very high17 Ų1757.6 Ų57.610%0.10431%0.308CS..Hα-helixtrans-89.6-20.7-171.254.60000113.4K47 L50 S51 T70 F71 F144K47-T74 HydrophobicContact CG-CG2 4.02Å; L50-T74 HydrophobicContact CB-CG2 3.99Å; L50-T74 HydrophobicContact CD1-CG2 4.46Å; S51-T74 VanDerWaalsContact CA-OG1 3.24Å; S51-T74 WeakPolarHBondContact CA-OG1 3.38Å; S51-T74 WeakPolarHBondContact CB-OG1 3.27Å; T70-T74 HydrophobicContact CG2-CG2 4.37Å; T70-T74 WeakPolarHBondContact O-CB 3.34Å; T70-T74 WeakPolarHBondContact O-CG2 3.26Å; T70-T74 PolarHBondContact O-N 3.38Å; T70-T74 PolarHBondContact O-OG1 3.04Å; F71-T74 PolarHBondContact O-N 2.84Å; F71-T74 PolarHBondContact O-OG1 3.25Å; T74-F144 HydrophobicContact CG2-CB 3.85Å; T74-F144 HydrophobicContact CG2-CG 4.3Å
75S97.3Very high97.2Very high60 Ų6056.5 Ų56.542%0.4231%0.31SS..Hα-helixtrans-110-16.9177.269.90000114.6F71 E77F71-S75 WeakPolarHBondContact O-CB 3.4Å; F71-S75 PolarHBondContact O-N 3.22Å; F71-S75 PolarHBondContact O-OG 3.03Å; S75-E77 PolarHBondContact O-N 2.9Å
76G97Very high97.5Very high17 Ų1761.6 Ų61.618%0.17532%0.316CS..  trans-87.64.9-166.400000117G72 L78 A79 L80G72-G76 VanDerWaalsContact O-CA 3.3Å; G72-G76 WeakPolarHBondContact O-CA 3.49Å; G72-G76 PolarHBondContact O-N 3.01Å; G76-L78 VanDerWaalsContact C-N 3.33Å; G76-L78 PolarHBondContact O-N 3.01Å; G76-A79 WeakPolarHBondContact O-CB 3.37Å; G76-A79 PolarHBondContact O-N 3.49Å; G76-L80 WeakPolarHBondContact O-CG 3.4Å; G76-L80 PolarHBondContact O-N 3.4Å
77E97.3Very high97.6Very high79 Ų7960.7 Ų60.737%0.36931%0.31SS..Hα-helixtrans-55.7-43.1-168.7-169.9-177142.400113.7S75 A79 L80 R81 L150S75-E77 PolarHBondContact O-N 2.9Å; E77-A79 VanDerWaalsContact C-N 3.31Å; E77-A79 PolarHBondContact O-N 3.19Å; E77-L80 PolarHBondContact O-N 2.93Å; E77-R81 WeakPolarHBondContact O-CG 3.5Å; E77-R81 PolarHBondContact O-N 3.26Å; E77-R81 IonicContact OE1-CZ 2.7Å; E77-R81 IonicContact OE1-NE 2.76Å; E77-R81 PolarHBondContact OE1-NE 2.99Å; E77-R81 IonicContact OE1-NH2 2.88Å; E77-R81 PolarHBondContact OE1-NH2 3.35Å; E77-L150 HydrophobicContact CG-CD1 4.23Å
78L97.8Very high97.6Very high148 Ų14863.1 Ų63.178%0.77532%0.322SS*.Hα-helixtrans-61.3-39.7178-65.7178.4000112.2G76 K82G76-L78 VanDerWaalsContact C-N 3.33Å; G76-L78 PolarHBondContact O-N 3.01Å; L78-K82 PolarHBondContact O-N 3.44Å; L78-K82 VanDerWaalsContact O-N 3.08Å
79A98.1Very high97.7Very high56 Ų5665.1 Ų65.146%0.46333%0.334SS..Hα-helixtrans-67.6-41.6176.500000111G76 E77 K82 I83G76-A79 WeakPolarHBondContact O-CB 3.37Å; G76-A79 PolarHBondContact O-N 3.49Å; E77-A79 VanDerWaalsContact C-N 3.31Å; E77-A79 PolarHBondContact O-N 3.19Å; A79-K82 WeakPolarHBondContact O-CB 3.49Å; A79-K82 PolarHBondContact O-N 3.08Å; A79-I83 VanDerWaalsContact O-CG1 3.31Å; A79-I83 WeakPolarHBondContact O-CG1 3.37Å; A79-I83 PolarHBondContact O-N 2.9Å
80L98.4Very high97.8Very high6 Ų669 Ų693%0.03135%0.35CS..Hα-helixtrans-61.1-46176.2-64.9177.3000111.7G76 E77 K82 I83 F84 V145 L150 V153 M154G76-L80 WeakPolarHBondContact O-CG 3.4Å; G76-L80 PolarHBondContact O-N 3.4Å; E77-L80 PolarHBondContact O-N 2.93Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 2.88Å; L80-I83 PolarHBondContact O-N 3.04Å; L80-F84 WeakPolarHBondContact O-CB 3.36Å; L80-F84 PolarHBondContact O-N 2.67Å; L80-V145 HydrophobicContact CD1-CG1 4.29Å; L80-V145 HydrophobicContact CD1-CG2 4.01Å; L80-L150 HydrophobicContact CB-CB 4.36Å; L80-L150 HydrophobicContact CB-CD2 4.23Å; L80-L150 HydrophobicContact CD1-CB 4.45Å; L80-V153 HydrophobicContact CD2-CG1 4.05Å; L80-M154 HydrophobicContact CD1-CB 3.92Å; L80-M154 HydrophobicContact CD1-CG 4.44Å; L80-M154 HydrophobicContact CD2-CB 3.68Å; L80-M154 HydrophobicContact CD2-CG 4.34Å; L80-M154 HydrophobicContact CD2-SD 3.87Å; L80-M154 HydrophobicContact CG-CB 4.47Å
81R98.5Very high97.8Very high110 Ų11072.8 Ų72.842%0.41538%0.375SS..Hα-helixtrans-59.3-41.9175.6-71.1179.8-178.2-72.1-1.4111.9E77 F84 N85 L150E77-R81 WeakPolarHBondContact O-CG 3.5Å; E77-R81 PolarHBondContact O-N 3.26Å; E77-R81 IonicContact OE1-CZ 2.7Å; E77-R81 IonicContact OE1-NE 2.76Å; E77-R81 PolarHBondContact OE1-NE 2.99Å; E77-R81 IonicContact OE1-NH2 2.88Å; E77-R81 PolarHBondContact OE1-NH2 3.35Å; R81-F84 PolarHBondContact O-N 3.33Å; R81-N85 WeakPolarHBondContact O-CB 3.19Å; R81-N85 VanDerWaalsContact O-CG 3.25Å; R81-N85 PolarHBondContact O-N 3.22Å; R81-N85 PolarHBondContact O-ND2 3.38Å; R81-L150 HydrophobicContact CG-CD1 3.71Å; R81-L150 HydrophobicContact CG-CD2 4.24Å
82K98.5Very high97.8Very high128 Ų12872.5 Ų72.556%0.55738%0.377SS*.Hα-helixtrans-63.2-43.6175.9-172.8177.4-177.4175.90112.1L78 A79 L80 R86L78-K82 PolarHBondContact O-N 3.44Å; L78-K82 VanDerWaalsContact O-N 3.08Å; A79-K82 WeakPolarHBondContact O-CB 3.49Å; A79-K82 PolarHBondContact O-N 3.08Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 2.88Å; K82-R86 WeakPolarHBondContact O-CG 3.43Å; K82-R86 PolarHBondContact O-N 2.86Å; K82-R86 VanDerWaalsContact O-N 3.07Å
83I97.8Very high97.8Very high57 Ų5771.8 Ų71.829%0.29237%0.37SS..Hα-helixtrans-66.2-44.1177.2-65.8164000110.5A79 L80 R86 K87 V153A79-I83 VanDerWaalsContact O-CG1 3.31Å; A79-I83 WeakPolarHBondContact O-CG1 3.37Å; A79-I83 PolarHBondContact O-N 2.9Å; L80-I83 PolarHBondContact O-N 3.04Å; I83-R86 WeakPolarHBondContact O-CB 3.41Å; I83-R86 PolarHBondContact O-N 3.29Å; I83-K87 WeakPolarHBondContact O-CG 3.33Å; I83-K87 PolarHBondContact O-N 3.49Å; I83-V153 HydrophobicContact CB-CG1 3.9Å; I83-V153 HydrophobicContact CG2-CG1 3.53Å
84F98.4Very high97.8Very high36 Ų3674 Ų7416%0.15839%0.386CS..Hα-helixtrans-58-49.3177.2-178.6-105000111.6L80 R81 R86 K87 L88 L97 D149 L150 V153L80-F84 WeakPolarHBondContact O-CB 3.36Å; L80-F84 PolarHBondContact O-N 2.67Å; R81-F84 PolarHBondContact O-N 3.33Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 2.93Å; F84-K87 WeakPolarHBondContact O-CB 3.16Å; F84-K87 PolarHBondContact O-N 2.82Å; F84-L88 HydrophobicContact CD1-CD1 3.91Å; F84-L88 HydrophobicContact CD1-CG 4.41Å; F84-L88 HydrophobicContact CE1-CD1 3.39Å; F84-L88 HydrophobicContact CE1-CG 4.06Å; F84-L88 HydrophobicContact CZ-CD1 3.85Å; F84-L88 HydrophobicContact CZ-CD2 4.29Å; F84-L88 HydrophobicContact CZ-CG 4.15Å; F84-L88 PolarHBondContact O-N 2.97Å; F84-L97 HydrophobicContact CD2-CD1 3.84Å; F84-L97 HydrophobicContact CD2-CD2 3.86Å; F84-L97 HydrophobicContact CE2-CD1 3.62Å; F84-L97 HydrophobicContact CE2-CD2 3.92Å; F84-L97 HydrophobicContact CE2-CG 4.38Å; F84-L97 HydrophobicContact CZ-CD1 4.44Å; F84-D149 HydrophobicContact CD2-CB 4.21Å; F84-D149 HydrophobicContact CE2-CB 3.58Å; F84-D149 HydrophobicContact CZ-CB 4Å; F84-L150 HydrophobicContact CB-CD2 3.75Å; F84-L150 HydrophobicContact CG-CD2 4.03Å; F84-V153 HydrophobicContact CB-CG2 4.17Å; F84-V153 HydrophobicContact CD2-CG2 3.85Å
85N98.2Very high97.8Very high87 Ų8779.7 Ų79.747%0.46541%0.405SS..Hα-helixtrans-61.2-38.2176.3-71.1-15.6000112.2R81 K87 L88 N89R81-N85 WeakPolarHBondContact O-CB 3.19Å; R81-N85 VanDerWaalsContact O-CG 3.25Å; R81-N85 PolarHBondContact O-N 3.22Å; R81-N85 PolarHBondContact O-ND2 3.38Å; N85-K87 VanDerWaalsContact C-N 3.33Å; N85-K87 PolarHBondContact O-N 3.32Å; N85-L88 PolarHBondContact O-N 3.37Å; N85-N89 PolarHBondContact O-N 3.25Å; N85-N89 PolarHBondContact O-ND2 2.89Å
86R97.9Very high97.9Very high168 Ų16879.4 Ų79.463%0.63440%0.399SS*.Hα-helixtrans-63.5-39173.6-76176174.3-173.5-4.7112.1K82 I83 F84 N89K82-R86 WeakPolarHBondContact O-CG 3.43Å; K82-R86 PolarHBondContact O-N 2.86Å; K82-R86 VanDerWaalsContact O-N 3.07Å; I83-R86 WeakPolarHBondContact O-CB 3.41Å; I83-R86 PolarHBondContact O-N 3.29Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 2.93Å; R86-N89 PolarHBondContact O-N 3.46Å
87K96.7Very high97.9Very high33 Ų3379.4 Ų79.414%0.14339%0.394CS..Hα-helixtrans-65.7-42.9176.3-73.3-177.3178.7-175.20111.9I83 F84 N85 N89 H90 G93 C94 L97 V153I83-K87 WeakPolarHBondContact O-CG 3.33Å; I83-K87 PolarHBondContact O-N 3.49Å; F84-K87 WeakPolarHBondContact O-CB 3.16Å; F84-K87 PolarHBondContact O-N 2.82Å; N85-K87 VanDerWaalsContact C-N 3.33Å; N85-K87 PolarHBondContact O-N 3.32Å; K87-N89 PolarHBondContact O-N 2.91Å; K87-H90 PolarHBondContact O-N 3.39Å; K87-H90 VanDerWaalsContact O-N 3.13Å; K87-G93 CarbonylContact O-C 3.31Å; K87-G93 VanDerWaalsContact O-C 3.25Å; K87-G93 VanDerWaalsContact O-CA 3.27Å; K87-G93 WeakPolarHBondContact O-CA 3.44Å; K87-C94 PolarHBondContact O-N 3.34Å; K87-C94 VanDerWaalsContact O-N 3.12Å; K87-L97 HydrophobicContact CB-CD1 3.66Å; K87-L97 HydrophobicContact CB-CG 4.02Å; K87-L97 HydrophobicContact CD-CD1 4.47Å; K87-L97 HydrophobicContact CD-CD2 3.85Å; K87-L97 HydrophobicContact CD-CG 4.03Å; K87-V153 HydrophobicContact CD-CG2 4.37Å
88L97.3Very high97.9Very high83 Ų8384.1 Ų84.144%0.43541%0.409SS..Hα-helixtrans-61.8-25.9176.4-72.4179.6000113.5F84 N85 H90 C94 L97F84-L88 HydrophobicContact CD1-CD1 3.91Å; F84-L88 HydrophobicContact CD1-CG 4.41Å; F84-L88 HydrophobicContact CE1-CD1 3.39Å; F84-L88 HydrophobicContact CE1-CG 4.06Å; F84-L88 HydrophobicContact CZ-CD1 3.85Å; F84-L88 HydrophobicContact CZ-CD2 4.29Å; F84-L88 HydrophobicContact CZ-CG 4.15Å; F84-L88 PolarHBondContact O-N 2.97Å; N85-L88 PolarHBondContact O-N 3.37Å; L88-H90 VanDerWaalsContact C-N 3.34Å; L88-C94 PolarHBondContact O-SG 2.89Å; L88-L97 HydrophobicContact CD2-CD1 3.72Å; L88-L97 HydrophobicContact CG-CD1 4.02Å
89N97.9Very high97.9Very high140 Ų14081.3 Ų81.375%0.74939%0.394SS*.THydrogen-bonded Turntrans-91.69.5179-69.4-52.8000113.6N85 R86 K87N85-N89 PolarHBondContact O-N 3.25Å; N85-N89 PolarHBondContact O-ND2 2.89Å; R86-N89 PolarHBondContact O-N 3.46Å; K87-N89 PolarHBondContact O-N 2.91Å
90H98Very high97.8Very high96 Ų9683 Ų8344%0.44439%0.389SS..SBendtrans-133.1131.7179.3-167.4-84.2000110.9K87 L88 D92 G93 C94K87-H90 PolarHBondContact O-N 3.39Å; K87-H90 VanDerWaalsContact O-N 3.13Å; L88-H90 VanDerWaalsContact C-N 3.34Å; H90-D92 VanDerWaalsContact C-N 3.33Å; H90-D92 IonicContact CE1-OD2 3.04Å; H90-D92 PolarHBondContact CE1-OD2 3.2Å; H90-D92 WeakPolarHBondContact ND1-CB 3.21Å; H90-D92 PolarHBondContact ND1-N 3.44Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD2 3.19Å; H90-D92 PolarHBondContact O-N 3.2Å; H90-G93 CarbonylContact O-C 3.6Å; H90-G93 WeakPolarHBondContact O-CA 3.24Å; H90-G93 PolarHBondContact O-N 2.99Å; H90-C94 PolarHBondContact O-N 2.94Å
91P98.2Very high97.8Very high103 Ų10385.4 Ų85.467%0.66941%0.405SS*.Hα-helixtrans-52.8-45.5-178.9-28.335000113.9G93 C94 R95P91-G93 VanDerWaalsContact C-N 3.32Å; P91-G93 PolarHBondContact O-N 3.23Å; P91-C94 PolarHBondContact O-N 3.38Å; P91-R95 PolarHBondContact O-N 3Å
92D97.5Very high97.6Very high71 Ų7182.5 Ų82.538%0.3840%0.399SS..Hα-helixtrans-67.6-32.6175.2-66.1-46.1000113.1H90 R95 I96H90-D92 VanDerWaalsContact C-N 3.33Å; H90-D92 IonicContact CE1-OD2 3.04Å; H90-D92 PolarHBondContact CE1-OD2 3.2Å; H90-D92 WeakPolarHBondContact ND1-CB 3.21Å; H90-D92 PolarHBondContact ND1-N 3.44Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD2 3.19Å; H90-D92 PolarHBondContact O-N 3.2Å; D92-R95 PolarHBondContact O-N 2.91Å; D92-R95 IonicContact OD1-CZ 3.13Å; D92-R95 IonicContact OD1-NE 3.55Å; D92-R95 IonicContact OD1-NH2 3.45Å; D92-R95 PolarHBondContact OD1-NH2 3.49Å; D92-I96 WeakPolarHBondContact O-CB 3.46Å; D92-I96 WeakPolarHBondContact O-CD1 3.48Å; D92-I96 VanDerWaalsContact O-CG1 3.25Å; D92-I96 WeakPolarHBondContact O-CG1 3.5Å; D92-I96 PolarHBondContact O-N 3.45Å
93G97.6Very high97.5Very high6 Ų677.4 Ų77.46%0.06238%0.378CS..Hα-helixtrans-65.5-45176.700000111.2K87 H90 P91 I96 L97K87-G93 CarbonylContact O-C 3.31Å; K87-G93 VanDerWaalsContact O-C 3.25Å; K87-G93 VanDerWaalsContact O-CA 3.27Å; K87-G93 WeakPolarHBondContact O-CA 3.44Å; H90-G93 CarbonylContact O-C 3.6Å; H90-G93 WeakPolarHBondContact O-CA 3.24Å; H90-G93 PolarHBondContact O-N 2.99Å; P91-G93 VanDerWaalsContact C-N 3.32Å; P91-G93 PolarHBondContact O-N 3.23Å; G93-I96 PolarHBondContact O-N 3.29Å; G93-L97 WeakPolarHBondContact O-CG 3.37Å; G93-L97 PolarHBondContact O-N 3.08Å
94C98Very high97.4Very high53 Ų5375.8 Ų75.836%0.35837%0.368SS..Hα-helixtrans-59.5-44.8172.4-68.60000111.9K87 L88 H90 P91 I96 L97 R98K87-C94 PolarHBondContact O-N 3.34Å; K87-C94 VanDerWaalsContact O-N 3.12Å; L88-C94 PolarHBondContact O-SG 2.89Å; H90-C94 PolarHBondContact O-N 2.94Å; P91-C94 PolarHBondContact O-N 3.38Å; C94-I96 VanDerWaalsContact C-N 3.34Å; C94-I96 PolarHBondContact O-N 2.92Å; C94-L97 PolarHBondContact O-N 3.4Å; C94-R98 WeakPolarHBondContact O-CB 3.36Å; C94-R98 PolarHBondContact O-N 3.24Å
95R98.2Very high97.2Very high136 Ų13677.5 Ų77.551%0.51338%0.382SS..Hα-helixtrans-59.3-44.7176.3-179167.458.3169.1-2.5111.7P91 D92 R98 D99P91-R95 PolarHBondContact O-N 3Å; D92-R95 PolarHBondContact O-N 2.91Å; D92-R95 IonicContact OD1-CZ 3.13Å; D92-R95 IonicContact OD1-NE 3.55Å; D92-R95 IonicContact OD1-NH2 3.45Å; D92-R95 PolarHBondContact OD1-NH2 3.49Å; R95-R98 PolarHBondContact O-N 2.94Å; R95-D99 WeakPolarHBondContact CG-OD2 3.42Å; R95-D99 WeakPolarHBondContact O-CB 3.37Å; R95-D99 VanDerWaalsContact O-CG 3.3Å; R95-D99 PolarHBondContact O-N 2.99Å
96I97.8Very high97.1Very high55 Ų5579.4 Ų79.428%0.28239%0.392SS..Hα-helixtrans-63.3-42.2176.4-70.8164.4000111.6D92 G93 C94 R98 R100 Y152 R156D92-I96 WeakPolarHBondContact O-CB 3.46Å; D92-I96 WeakPolarHBondContact O-CD1 3.48Å; D92-I96 VanDerWaalsContact O-CG1 3.25Å; D92-I96 WeakPolarHBondContact O-CG1 3.5Å; D92-I96 PolarHBondContact O-N 3.45Å; G93-I96 PolarHBondContact O-N 3.29Å; C94-I96 VanDerWaalsContact C-N 3.34Å; C94-I96 PolarHBondContact O-N 2.92Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-R98 PolarHBondContact O-N 2.86Å; I96-R100 WeakPolarHBondContact O-CA 3.42Å; I96-R100 PolarHBondContact O-N 3.32Å; I96-Y152 HydrophobicContact CG2-CE1 4.12Å; I96-Y152 WeakPolarHBondContact O-CE1 3.49Å; I96-R156 HydrophobicContact CG2-CG 4.46Å
97L97.8Very high97Very high16 Ų1674.9 Ų74.98%0.08438%0.383CS..Hα-helixtrans-66.2-33.8178-71.1176.4000112.7F84 K87 L88 G93 C94 R100 Y152 V153F84-L97 HydrophobicContact CD2-CD1 3.84Å; F84-L97 HydrophobicContact CD2-CD2 3.86Å; F84-L97 HydrophobicContact CE2-CD1 3.62Å; F84-L97 HydrophobicContact CE2-CD2 3.92Å; F84-L97 HydrophobicContact CE2-CG 4.38Å; F84-L97 HydrophobicContact CZ-CD1 4.44Å; K87-L97 HydrophobicContact CB-CD1 3.66Å; K87-L97 HydrophobicContact CB-CG 4.02Å; K87-L97 HydrophobicContact CD-CD1 4.47Å; K87-L97 HydrophobicContact CD-CD2 3.85Å; K87-L97 HydrophobicContact CD-CG 4.03Å; L88-L97 HydrophobicContact CD2-CD1 3.72Å; L88-L97 HydrophobicContact CG-CD1 4.02Å; G93-L97 WeakPolarHBondContact O-CG 3.37Å; G93-L97 PolarHBondContact O-N 3.08Å; C94-L97 PolarHBondContact O-N 3.4Å; L97-R100 WeakPolarHBondContact O-CG 3.37Å; L97-Y152 HydrophobicContact CD2-CD1 4.24Å; L97-Y152 HydrophobicContact CD2-CE1 4.46Å; L97-V153 HydrophobicContact CD2-CG2 3.84Å
98R97.3Very high97Very high178 Ų17875.1 Ų75.167%0.67239%0.387SS*.Hα-helixtrans-74.9-53.2176.9-176.5-168.467.2-165.6-2.1112.3C94 R95 I96 R100C94-R98 WeakPolarHBondContact O-CB 3.36Å; C94-R98 PolarHBondContact O-N 3.24Å; R95-R98 PolarHBondContact O-N 2.94Å; I96-R98 VanDerWaalsContact C-N 3.32Å; I96-R98 PolarHBondContact O-N 2.86Å; R98-R100 VanDerWaalsContact C-N 3.29Å; R98-R100 PolarHBondContact O-N 3.43Å
99D97.7Very high96.9Very high89 Ų8975.5 Ų75.548%0.47639%0.39SS..Hα-helixtrans-79.2-18.5-171.5-60.2-11.3000111.9R95 P101R95-D99 WeakPolarHBondContact CG-OD2 3.42Å; R95-D99 WeakPolarHBondContact O-CB 3.37Å; R95-D99 VanDerWaalsContact O-CG 3.3Å; R95-D99 PolarHBondContact O-N 2.99Å; D99-P101 VanDerWaalsContact C-CD 3.43Å
100R97Very high96.9Very high91 Ų9169.7 Ų69.734%0.34336%0.359SS..  trans43.248.9-179.8-63-175.5165.8-127.61.9114.6I96 L97 R98 P148 D149 Y152I96-R100 WeakPolarHBondContact O-CA 3.42Å; I96-R100 PolarHBondContact O-N 3.32Å; L97-R100 WeakPolarHBondContact O-CG 3.37Å; R98-R100 VanDerWaalsContact C-N 3.29Å; R98-R100 PolarHBondContact O-N 3.43Å; R100-P148 PolarHBondContact NH1-O 2.93Å; R100-P148 PolarHBondContact NH2-O 3.42Å; R100-P148 VanDerWaalsContact NH2-O 3.16Å; R100-D149 IonicContact CZ-OD1 3.91Å; R100-D149 IonicContact NH2-OD1 3.89Å; R100-D149 PolarHBondContact NH2-OD1 2.81Å; R100-Y152 WeakPolarHBondContact CA-OH 3.37Å; R100-Y152 HydrophobicContact CB-CD2 4.04Å; R100-Y152 HydrophobicContact CB-CE1 4.31Å; R100-Y152 HydrophobicContact CB-CE2 3.7Å; R100-Y152 HydrophobicContact CG-CD1 4.07Å; R100-Y152 HydrophobicContact CG-CD2 4.17Å; R100-Y152 HydrophobicContact CG-CE1 4.06Å; R100-Y152 HydrophobicContact CG-CE2 4.18Å; R100-Y152 HydrophobicContact CG-CG 4.15Å
101P96.9Very high96.8Very high57 Ų5769.6 Ų69.637%0.3736%0.361SS..  trans-61.9145.9179.128.8-36.8000111D99 Y152D99-P101 VanDerWaalsContact C-CD 3.43Å; P101-Y152 VanDerWaalsContact CD-OH 3.27Å; P101-Y152 WeakPolarHBondContact CD-OH 3.31Å; P101-Y152 PolarHBondContact O-OH 2.9Å
102T95.5Very high96.8Very high49 Ų4967.4 Ų67.430%0.30135%0.349SS..  trans-123.715517855.20000110.6T107 L155 E159T102-T107 PolarHBondContact O-OG1 2.93Å; T102-T107 WeakPolarHBondContact OG1-CG2 3.21Å; T102-L155 HydrophobicContact CG2-CD2 4.45Å; T102-E159 WeakPolarHBondContact CA-OE1 3.49Å; T102-E159 WeakPolarHBondContact CB-OE1 3.33Å
103I95.4Very high96.8Very high22 Ų2266.1 Ų66.111%0.11334%0.341CS..  trans-116.7102.2178.4-62.8174.7000108.1V108 P136 E159 I160 L163I103-V108 HydrophobicContact CG2-CG2 4.28Å; I103-P136 HydrophobicContact CG2-CB 4.04Å; I103-E159 HydrophobicContact CB-CB 4.28Å; I103-E159 VanDerWaalsContact N-CD 3.29Å; I103-E159 PolarHBondContact N-OE1 2.89Å; I103-E159 PolarHBondContact N-OE2 3.3Å; I103-I160 HydrophobicContact CD1-CG2 4.37Å; I103-L163 HydrophobicContact CD1-CD1 3.82Å
104R95.4Very high96.8Very high23 Ų2369.4 Ų69.49%0.08735%0.352CS..SBendtrans-146.7164.8-178.5-62.5-153.782.391.8-8.3109.8N106 T107 V108 D137 R139 Y141R104-N106 WeakPolarHBondContact CB-OD1 3.32Å; R104-N106 PolarHBondContact O-N 2.93Å; R104-T107 PolarHBondContact N-OG1 2.95Å; R104-T107 PolarHBondContact O-N 2.91Å; R104-T107 PolarHBondContact O-OG1 3.19Å; R104-V108 PolarHBondContact O-N 2.7Å; R104-D137 WeakPolarHBondContact CA-OD1 3.23Å; R104-D137 VanDerWaalsContact CB-OD1 3.32Å; R104-D137 WeakPolarHBondContact CB-OD1 3.39Å; R104-D137 IonicContact CZ-OD1 2.7Å; R104-D137 IonicContact NE-OD1 3.77Å; R104-D137 PolarHBondContact NE-OD1 3.15Å; R104-D137 PolarHBondContact NH2-O 3.19Å; R104-D137 IonicContact NH2-OD1 2.84Å; R104-R139 PolarHBondContact NH1-O 3.1Å; R104-R139 VanDerWaalsContact NH1-O 3.12Å; R104-Y141 WeakPolarHBondContact CD-OH 3.42Å; R104-Y141 PolarHBondContact NE-OH 2.82Å
105T95.4Very high96.8Very high72 Ų7274.9 Ų74.944%0.44237%0.37SS..THydrogen-bonded Turntrans-64-2417957.30000113L110 P136 D137T105-L110 HydrophobicContact CG2-CD1 4.07Å; T105-P136 HydrophobicContact CG2-CG 4.15Å; T105-D137 WeakPolarHBondContact CB-OD2 3.29Å; T105-D137 WeakPolarHBondContact CG2-OD2 3.32Å; T105-D137 PolarHBondContact N-OD1 3.43Å; T105-D137 PolarHBondContact OG1-OD2 3.48Å
106N95.6Very high96.8Very high127 Ų12771.6 Ų71.668%0.67936%0.362SS*.THydrogen-bonded Turntrans-84.9-9.8174.868.8-17.1000114.2R104R104-N106 WeakPolarHBondContact CB-OD1 3.32Å; R104-N106 PolarHBondContact O-N 2.93Å
107T96.2Very high96.8Very high73 Ų7373.3 Ų73.345%0.44838%0.377SS..THydrogen-bonded Turntrans-113.2-18.6177.563.20000113.6T102 R104T102-T107 PolarHBondContact O-OG1 2.93Å; T102-T107 WeakPolarHBondContact OG1-CG2 3.21Å; R104-T107 PolarHBondContact N-OG1 2.95Å; R104-T107 PolarHBondContact O-N 2.91Å; R104-T107 PolarHBondContact O-OG1 3.19Å
108V95.3Very high96.8Very high38 Ų3881.9 Ų81.923%0.2341%0.413CS..SBendtrans-128.9120.9-178-176.20000110.2I103 R104 L110 L113I103-V108 HydrophobicContact CG2-CG2 4.28Å; R104-V108 PolarHBondContact O-N 2.7Å; V108-L110 HydrophobicContact CG1-CD2 4.02Å; V108-L110 PolarHBondContact O-N 3.12Å; V108-L113 HydrophobicContact CG1-CD1 3.64Å; V108-L113 HydrophobicContact CG1-CG 4.4Å
109D97.1Very high96.7Very high91 Ų9177.4 Ų77.449%0.48742%0.422SS..  trans-75.391.5173.2-179-7.6000110.8D111 S112 L113D109-D111 VanDerWaalsContact C-N 3.27Å; D109-D111 PolarHBondContact O-N 2.91Å; D109-D111 PolarHBondContact OD1-N 3.03Å; D109-D111 VanDerWaalsContact OD1-N 3.07Å; D109-S112 VanDerWaalsContact CG-CB 3.44Å; D109-S112 VanDerWaalsContact CG-OG 3.23Å; D109-S112 PolarHBondContact O-N 3.24Å; D109-S112 PolarHBondContact OD1-N 2.82Å; D109-S112 VanDerWaalsContact OD2-CB 3.24Å; D109-S112 WeakPolarHBondContact OD2-CB 3.39Å; D109-S112 PolarHBondContact OD2-OG 3.42Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 2.88Å; D109-L113 VanDerWaalsContact O-N 3.15Å
110L96.3Very high96.6Very high18 Ų1875.3 Ų75.39%0.09441%0.413CS..Hα-helixtrans-64.8-29.5179.8-61.5-177.8000112.7T105 V108 L113 R114 Y125 T126 L129 P136T105-L110 HydrophobicContact CG2-CD1 4.07Å; V108-L110 HydrophobicContact CG1-CD2 4.02Å; V108-L110 PolarHBondContact O-N 3.12Å; L110-L113 HydrophobicContact CD2-CD1 4.37Å; L110-L113 PolarHBondContact O-N 3.48Å; L110-R114 VanDerWaalsContact O-CG 3.31Å; L110-R114 WeakPolarHBondContact O-CG 3.37Å; L110-R114 PolarHBondContact O-N 3.48Å; L110-Y125 HydrophobicContact CD2-CE1 4.34Å; L110-T126 HydrophobicContact CB-CG2 4.48Å; L110-T126 HydrophobicContact CD2-CG2 4.34Å; L110-L129 HydrophobicContact CD1-CD1 4.31Å; L110-L129 HydrophobicContact CD2-CD1 4.23Å; L110-P136 HydrophobicContact CD1-CG 4.14Å
111D97.2Very high96.5Very high94 Ų9477.5 Ų77.550%0.50343%0.425SS..Hα-helixtrans-72.3-37-179.9-70.4-28.4000111.7D109 R114 K115D109-D111 VanDerWaalsContact C-N 3.27Å; D109-D111 PolarHBondContact O-N 2.91Å; D109-D111 PolarHBondContact OD1-N 3.03Å; D109-D111 VanDerWaalsContact OD1-N 3.07Å; D111-R114 PolarHBondContact O-N 3.26Å; D111-R114 IonicContact OD1-CZ 3.29Å; D111-R114 IonicContact OD1-NH1 2.84Å; D111-R114 PolarHBondContact OD1-NH1 2.75Å; D111-K115 WeakPolarHBondContact O-CG 3.36Å; D111-K115 PolarHBondContact O-N 2.59Å
112S98.1Very high96.4Very high57 Ų5775.2 Ų75.240%0.39941%0.412SS..Hα-helixtrans-64.3-43169.4-73.30000111.7D109 R114 K115 L116D109-S112 VanDerWaalsContact CG-CB 3.44Å; D109-S112 VanDerWaalsContact CG-OG 3.23Å; D109-S112 PolarHBondContact O-N 3.24Å; D109-S112 PolarHBondContact OD1-N 2.82Å; D109-S112 VanDerWaalsContact OD2-CB 3.24Å; D109-S112 WeakPolarHBondContact OD2-CB 3.39Å; D109-S112 PolarHBondContact OD2-OG 3.42Å; S112-R114 VanDerWaalsContact C-N 3.31Å; S112-R114 PolarHBondContact O-N 3.27Å; S112-K115 PolarHBondContact O-N 2.9Å; S112-K115 VanDerWaalsContact O-N 3.07Å; S112-L116 PolarHBondContact O-N 3.07Å
113L97.3Very high96.5Very high43 Ų4375.9 Ų75.923%0.22541%0.411CS..Hα-helixtrans-62.6-36.1175.8-65.6-171.1000112.7V108 D109 L110 K115 L116 Y125 T126V108-L113 HydrophobicContact CG1-CD1 3.64Å; V108-L113 HydrophobicContact CG1-CG 4.4Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 2.88Å; D109-L113 VanDerWaalsContact O-N 3.15Å; L110-L113 HydrophobicContact CD2-CD1 4.37Å; L110-L113 PolarHBondContact O-N 3.48Å; L113-K115 PolarHBondContact O-N 2.93Å; L113-L116 HydrophobicContact CD2-CD1 3.72Å; L113-L116 WeakPolarHBondContact O-CB 3.28Å; L113-L116 PolarHBondContact O-N 3.35Å; L113-Y125 HydrophobicContact CD1-CD1 4.46Å; L113-T126 HydrophobicContact CB-CG2 3.52Å; L113-T126 HydrophobicContact CD1-CG2 4.37Å
114R96.9Very high96.4Very high76 Ų7677.6 Ų77.629%0.28743%0.428SS..Hα-helixtrans-64-27.5174.2-76.7175.8-174.3110.64.2112.6L110 D111 S112 L116 K123 T126 D130L110-R114 VanDerWaalsContact O-CG 3.31Å; L110-R114 WeakPolarHBondContact O-CG 3.37Å; L110-R114 PolarHBondContact O-N 3.48Å; D111-R114 PolarHBondContact O-N 3.26Å; D111-R114 IonicContact OD1-CZ 3.29Å; D111-R114 IonicContact OD1-NH1 2.84Å; D111-R114 PolarHBondContact OD1-NH1 2.75Å; S112-R114 VanDerWaalsContact C-N 3.31Å; S112-R114 PolarHBondContact O-N 3.27Å; R114-L116 VanDerWaalsContact C-N 3.34Å; R114-K123 WeakPolarHBondContact O-CD 3.49Å; R114-K123 WeakPolarHBondContact O-CE 3.45Å; R114-K123 PolarHBondContact O-NZ 3.47Å; R114-T126 HydrophobicContact CG-CG2 3.89Å; R114-D130 IonicContact CZ-OD1 2.83Å; R114-D130 IonicContact NE-OD1 3.74Å; R114-D130 PolarHBondContact NE-OD1 2.88Å; R114-D130 VanDerWaalsContact NE-OD1 3.13Å; R114-D130 IonicContact NE-OD2 3.53Å; R114-D130 PolarHBondContact NE-OD2 2.85Å; R114-D130 IonicContact NH2-OD1 3.73Å; R114-D130 PolarHBondContact NH2-OD1 3.33Å
115K98.2Very high96.4Very high168 Ų16877.6 Ų77.673%0.7343%0.428SS*.Hα-helixtrans-83.3-11.1179.5-67165.1-169.4169.20113.1D111 S112 L113D111-K115 WeakPolarHBondContact O-CG 3.36Å; D111-K115 PolarHBondContact O-N 2.59Å; S112-K115 PolarHBondContact O-N 2.9Å; S112-K115 VanDerWaalsContact O-N 3.07Å; L113-K115 PolarHBondContact O-N 2.93Å
116L98.3Very high96.4Very high66 Ų6674.1 Ų74.135%0.34641%0.407SS..SBendtrans-62.5151.8179.2-67.6175.6000112.4S112 L113 R114 T120 K123S112-L116 PolarHBondContact O-N 3.07Å; L113-L116 HydrophobicContact CD2-CD1 3.72Å; L113-L116 WeakPolarHBondContact O-CB 3.28Å; L113-L116 PolarHBondContact O-N 3.35Å; R114-L116 VanDerWaalsContact C-N 3.34Å; L116-T120 HydrophobicContact CB-CG2 4.44Å; L116-T120 WeakPolarHBondContact CB-OG1 3.06Å; L116-K123 HydrophobicContact CB-CB 4.18Å; L116-K123 WeakPolarHBondContact O-CD 3.3Å; L116-K123 WeakPolarHBondContact O-CG 3.49Å
117P98.2Very high96.3Very high92 Ų9275.3 Ų75.360%0.59741%0.406SS*.PPolyproline II helixtrans-55.4149.7174.5-25.434.3000112.9T120 K123P117-T120 HydrophobicContact CB-CG2 4.36Å; P117-T120 WeakPolarHBondContact O-CG2 3.46Å; P117-T120 PolarHBondContact O-N 2.84Å; P117-T120 PolarHBondContact O-OG1 2.92Å; P117-K123 WeakPolarHBondContact O-CB 3.37Å
118K96.7Very high96.2Very high195 Ų19574.5 Ų74.585%0.84840%0.397SS*.THydrogen-bonded Turntrans-56.7140.7170.5-67.5-178.9-178.7175.20109.6
119G95.1Very high96.1Very high84 Ų8472.8 Ų72.887%0.86639%0.386SS*.THydrogen-bonded Turntrans93.3-13-178.200000114.6
120T96.9Very high96Very high45 Ų4572.6 Ų72.628%0.27639%0.385SS..SBendtrans-74.9149.6170.6630000111.5L116 P117 G122 K123 A124L116-T120 HydrophobicContact CB-CG2 4.44Å; L116-T120 WeakPolarHBondContact CB-OG1 3.06Å; P117-T120 HydrophobicContact CB-CG2 4.36Å; P117-T120 WeakPolarHBondContact O-CG2 3.46Å; P117-T120 PolarHBondContact O-N 2.84Å; P117-T120 PolarHBondContact O-OG1 2.92Å; T120-G122 PolarHBondContact O-N 2.78Å; T120-K123 PolarHBondContact O-N 3.43Å; T120-K123 WeakPolarHBondContact OG1-CB 3.43Å; T120-K123 PolarHBondContact OG1-N 3.49Å; T120-A124 PolarHBondContact O-N 2.83Å
121F94.7Very high95.9Very high137 Ų13778.8 Ų78.860%0.60141%0.411SS*.Hα-helixtrans-58-45.3177-179.3-101.2000112.3K123 A124 Y125 L163F121-K123 PolarHBondContact O-N 2.77Å; F121-A124 PolarHBondContact O-N 3.31Å; F121-Y125 WeakPolarHBondContact O-CB 3.18Å; F121-Y125 PolarHBondContact O-N 2.86Å; F121-L163 HydrophobicContact CE1-CD2 4.28Å; F121-L163 HydrophobicContact CZ-CB 4.06Å; F121-L163 HydrophobicContact CZ-CD1 4.17Å; F121-L163 HydrophobicContact CZ-CD2 3.84Å; F121-L163 HydrophobicContact CZ-CG 4.24Å
122G95.5Very high95.6Very high9 Ų979.8 Ų79.89%0.09341%0.409CS..Hα-helixtrans-63.3-38.8178.800000113.8T120 Y125 T126T120-G122 PolarHBondContact O-N 2.78Å; G122-Y125 PolarHBondContact O-N 2.6Å; G122-T126 PolarHBondContact O-N 3.16Å; G122-T126 PolarHBondContact O-OG1 3.03Å
123K96.1Very high95.4Very high64 Ų6479.9 Ų79.928%0.27842%0.419SS..Hα-helixtrans-68-37.1174.7-173.758.5170.9173.90111.9R114 L116 P117 T120 F121 T126 K127R114-K123 WeakPolarHBondContact O-CD 3.49Å; R114-K123 WeakPolarHBondContact O-CE 3.45Å; R114-K123 PolarHBondContact O-NZ 3.47Å; L116-K123 HydrophobicContact CB-CB 4.18Å; L116-K123 WeakPolarHBondContact O-CD 3.3Å; L116-K123 WeakPolarHBondContact O-CG 3.49Å; P117-K123 WeakPolarHBondContact O-CB 3.37Å; T120-K123 PolarHBondContact O-N 3.43Å; T120-K123 WeakPolarHBondContact OG1-CB 3.43Å; T120-K123 PolarHBondContact OG1-N 3.49Å; F121-K123 PolarHBondContact O-N 2.77Å; K123-T126 PolarHBondContact O-OG1 3.29Å; K123-K127 VanDerWaalsContact O-CB 3.23Å; K123-K127 WeakPolarHBondContact O-CB 3.19Å; K123-K127 PolarHBondContact O-N 3.47Å; K123-K127 VanDerWaalsContact O-N 3.07Å
124A94.8Very high95.1Very high58 Ų5883 Ų8348%0.47943%0.428SS..Hα-helixtrans-66-44.2175.400000111.5T120 F121 K127 F128T120-A124 PolarHBondContact O-N 2.83Å; F121-A124 PolarHBondContact O-N 3.31Å; A124-K127 PolarHBondContact O-N 2.85Å; A124-F128 PolarHBondContact O-N 2.96Å
125Y94.5Very high94.9Very high22 Ų2281.1 Ų81.19%0.08643%0.427CS..Hα-helixtrans-61.7-51.2178178-127.1000112.3L110 L113 F121 G122 K127 F128 L129 L163L110-Y125 HydrophobicContact CD2-CE1 4.34Å; L113-Y125 HydrophobicContact CD1-CD1 4.46Å; F121-Y125 WeakPolarHBondContact O-CB 3.18Å; F121-Y125 PolarHBondContact O-N 2.86Å; G122-Y125 PolarHBondContact O-N 2.6Å; Y125-K127 VanDerWaalsContact C-N 3.31Å; Y125-K127 PolarHBondContact O-N 2.7Å; Y125-F128 WeakPolarHBondContact O-CB 3.18Å; Y125-F128 PolarHBondContact O-N 3.39Å; Y125-F128 VanDerWaalsContact O-N 3.08Å; Y125-L129 HydrophobicContact CD1-CD1 4.26Å; Y125-L129 HydrophobicContact CD2-CG 4.37Å; Y125-L129 HydrophobicContact CE1-CD1 3.76Å; Y125-L129 HydrophobicContact CE2-CD1 4.1Å; Y125-L129 HydrophobicContact CE2-CD2 3.98Å; Y125-L129 HydrophobicContact CE2-CG 4Å; Y125-L129 PolarHBondContact O-N 3.43Å; Y125-L163 HydrophobicContact CD1-CD2 4.39Å; Y125-L163 HydrophobicContact CD2-CD2 3.25Å; Y125-L163 HydrophobicContact CE1-CD2 4.48Å; Y125-L163 HydrophobicContact CE2-CD2 3.38Å; Y125-L163 HydrophobicContact CG-CD2 3.79Å
126T95.2Very high94.7Very high0 Ų073.4 Ų73.40%039%0.394CS..Hα-helixtrans-62.6-37.5177.447.80000112.6L110 L113 R114 G122 K123 F128 L129 D130L110-T126 HydrophobicContact CB-CG2 4.48Å; L110-T126 HydrophobicContact CD2-CG2 4.34Å; L113-T126 HydrophobicContact CB-CG2 3.52Å; L113-T126 HydrophobicContact CD1-CG2 4.37Å; R114-T126 HydrophobicContact CG-CG2 3.89Å; G122-T126 PolarHBondContact O-N 3.16Å; G122-T126 PolarHBondContact O-OG1 3.03Å; K123-T126 PolarHBondContact O-OG1 3.29Å; T126-F128 VanDerWaalsContact C-N 3.31Å; T126-F128 PolarHBondContact O-N 2.9Å; T126-L129 PolarHBondContact O-N 2.77Å; T126-D130 WeakPolarHBondContact O-CB 3.28Å; T126-D130 PolarHBondContact O-N 3.45Å
127K94.8Very high94.5Very high152 Ų15272.7 Ų72.766%0.66139%0.39SS*.Hα-helixtrans-61.3-37.2173.1-177.3-178.9174.1-173.90112.6K123 A124 Y125 K131K123-K127 VanDerWaalsContact O-CB 3.23Å; K123-K127 WeakPolarHBondContact O-CB 3.19Å; K123-K127 PolarHBondContact O-N 3.47Å; K123-K127 VanDerWaalsContact O-N 3.07Å; A124-K127 PolarHBondContact O-N 2.85Å; Y125-K127 VanDerWaalsContact C-N 3.31Å; Y125-K127 PolarHBondContact O-N 2.7Å; K127-K131 VanDerWaalsContact O-CB 3.27Å; K127-K131 WeakPolarHBondContact O-CB 3.35Å; K127-K131 PolarHBondContact O-N 2.88Å
128F93.4Very high94.2Very high56 Ų5673.3 Ų73.325%0.24639%0.385CS..Hα-helixtrans-65.2-48.3174.4167.4-90.3000111.2A124 Y125 T126 D130 K131 Y132 Y134 D162A124-F128 PolarHBondContact O-N 2.96Å; Y125-F128 WeakPolarHBondContact O-CB 3.18Å; Y125-F128 PolarHBondContact O-N 3.39Å; Y125-F128 VanDerWaalsContact O-N 3.08Å; T126-F128 VanDerWaalsContact C-N 3.31Å; T126-F128 PolarHBondContact O-N 2.9Å; F128-D130 PolarHBondContact O-N 3.28Å; F128-K131 PolarHBondContact O-N 2.93Å; F128-Y132 AromaticContact CD2-CD2 3.71Å; F128-Y132 HydrophobicContact CD2-CD2 3.71Å; F128-Y132 AromaticContact CD2-CE2 3.6Å; F128-Y132 HydrophobicContact CD2-CE2 3.6Å; F128-Y132 AromaticContact CE2-CD2 3.53Å; F128-Y132 HydrophobicContact CE2-CD2 3.53Å; F128-Y132 AromaticContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CE2-CE2 3.46Å; F128-Y132 VanDerWaalsContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CG-CD2 4.31Å; F128-Y132 AromaticContact CZ-CD2 4Å; F128-Y132 HydrophobicContact CZ-CD2 4Å; F128-Y132 HydrophobicContact CZ-CE2 4.33Å; F128-Y132 WeakPolarHBondContact O-CD2 3.13Å; F128-Y132 PolarHBondContact O-N 2.6Å; F128-Y134 AromaticContact CE1-CD2 3.97Å; F128-Y134 HydrophobicContact CE1-CD2 3.97Å; F128-Y134 HydrophobicContact CZ-CD2 4.14Å; F128-Y134 HydrophobicContact CZ-CE2 4.27Å; F128-D162 HydrophobicContact CE1-CB 3.83Å; F128-D162 HydrophobicContact CZ-CB 4.23Å
129L93.7Very high94Very high2 Ų267.1 Ų67.11%0.0136%0.357CS..Hα-helixtrans-57.6-49.8177.2-65.8179.2000111.3L110 Y125 T126 K131 Y132 G133 Y134L110-L129 HydrophobicContact CD1-CD1 4.31Å; L110-L129 HydrophobicContact CD2-CD1 4.23Å; Y125-L129 HydrophobicContact CD1-CD1 4.26Å; Y125-L129 HydrophobicContact CD2-CG 4.37Å; Y125-L129 HydrophobicContact CE1-CD1 3.76Å; Y125-L129 HydrophobicContact CE2-CD1 4.1Å; Y125-L129 HydrophobicContact CE2-CD2 3.98Å; Y125-L129 HydrophobicContact CE2-CG 4Å; Y125-L129 PolarHBondContact O-N 3.43Å; T126-L129 PolarHBondContact O-N 2.77Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.71Å; L129-Y132 PolarHBondContact O-N 3.07Å; L129-G133 WeakPolarHBondContact O-CA 3.08Å; L129-G133 PolarHBondContact O-N 3.34Å; L129-Y134 PolarHBondContact O-N 3.32Å
130D94.3Very high93.9Very high87 Ų8767.5 Ų67.547%0.46534%0.336SS..Hα-helixtrans-64.3-35.4-178.9-63.4-19.8000111.8R114 T126 F128R114-D130 IonicContact CZ-OD1 2.83Å; R114-D130 IonicContact NE-OD1 3.74Å; R114-D130 PolarHBondContact NE-OD1 2.88Å; R114-D130 VanDerWaalsContact NE-OD1 3.13Å; R114-D130 IonicContact NE-OD2 3.53Å; R114-D130 PolarHBondContact NE-OD2 2.85Å; R114-D130 IonicContact NH2-OD1 3.73Å; R114-D130 PolarHBondContact NH2-OD1 3.33Å; T126-D130 WeakPolarHBondContact O-CB 3.28Å; T126-D130 PolarHBondContact O-N 3.45Å; F128-D130 PolarHBondContact O-N 3.28Å
131K94.2Very high93.8Very high147 Ų14771.6 Ų71.664%0.63935%0.347SS*.Hα-helixtrans-64.6-40.7178.9179.1-177.2177.2-163.80112.5K127 F128 L129K127-K131 VanDerWaalsContact O-CB 3.27Å; K127-K131 WeakPolarHBondContact O-CB 3.35Å; K127-K131 PolarHBondContact O-N 2.88Å; F128-K131 PolarHBondContact O-N 2.93Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.71Å
132Y91.7Very high93.9Very high116 Ų11665.4 Ų65.446%0.45532%0.32SS..Hα-helixtrans-101.3-1.9-176.2-63.9-66.2000113.4F128 L129 Y134F128-Y132 AromaticContact CD2-CD2 3.71Å; F128-Y132 HydrophobicContact CD2-CD2 3.71Å; F128-Y132 AromaticContact CD2-CE2 3.6Å; F128-Y132 HydrophobicContact CD2-CE2 3.6Å; F128-Y132 AromaticContact CE2-CD2 3.53Å; F128-Y132 HydrophobicContact CE2-CD2 3.53Å; F128-Y132 AromaticContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CE2-CE2 3.46Å; F128-Y132 VanDerWaalsContact CE2-CE2 3.46Å; F128-Y132 HydrophobicContact CG-CD2 4.31Å; F128-Y132 AromaticContact CZ-CD2 4Å; F128-Y132 HydrophobicContact CZ-CD2 4Å; F128-Y132 HydrophobicContact CZ-CE2 4.33Å; F128-Y132 WeakPolarHBondContact O-CD2 3.13Å; F128-Y132 PolarHBondContact O-N 2.6Å; L129-Y132 PolarHBondContact O-N 3.07Å; Y132-Y134 VanDerWaalsContact C-N 3.26Å; Y132-Y134 VanDerWaalsContact CB-CE2 3.46Å; Y132-Y134 HydrophobicContact CD2-CE2 4.36Å; Y132-Y134 HydrophobicContact CG-CD2 4.36Å; Y132-Y134 HydrophobicContact CG-CE2 4.01Å; Y132-Y134 PolarHBondContact O-N 2.76Å
133G92.4Very high94Very high59 Ų5971 Ų7161%0.60834%0.339SS*.THydrogen-bonded Turntrans6727.4-177.100000113L129L129-G133 WeakPolarHBondContact O-CA 3.08Å; L129-G133 PolarHBondContact O-N 3.34Å
134Y90.8Very high94.1Very high108 Ų10869.1 Ų69.142%0.42433%0.331SS..  trans-87.7148.6-178.6-66.2-33.1000112.1F128 L129 Y132 E138F128-Y134 AromaticContact CE1-CD2 3.97Å; F128-Y134 HydrophobicContact CE1-CD2 3.97Å; F128-Y134 HydrophobicContact CZ-CD2 4.14Å; F128-Y134 HydrophobicContact CZ-CE2 4.27Å; L129-Y134 PolarHBondContact O-N 3.32Å; Y132-Y134 VanDerWaalsContact C-N 3.26Å; Y132-Y134 VanDerWaalsContact CB-CE2 3.46Å; Y132-Y134 HydrophobicContact CD2-CE2 4.36Å; Y132-Y134 HydrophobicContact CG-CD2 4.36Å; Y132-Y134 HydrophobicContact CG-CE2 4.01Å; Y132-Y134 PolarHBondContact O-N 2.76Å; Y134-E138 WeakPolarHBondContact CA-OE2 3.43Å
135S93.5Very high94.2Very high36 Ų3666.8 Ų66.825%0.25231%0.31SS..  trans-114.2140.6167.2175.50000110.2D137 E138S135-D137 PolarHBondContact O-N 2.85Å; S135-D137 VanDerWaalsContact O-N 3.08Å; S135-D137 PolarHBondContact OG-N 2.87Å; S135-E138 PolarHBondContact N-OE2 3.27Å; S135-E138 VanDerWaalsContact N-OE2 3.16Å; S135-E138 WeakPolarHBondContact O-CB 3.22Å; S135-E138 PolarHBondContact O-N 3.03Å
136P93.8Very high94.3Very high6 Ų668.3 Ų68.34%0.03932%0.32CS..G310 helixtrans-56-24.7170.123.7-33.4000112.4I103 T105 L110 E138 R139I103-P136 HydrophobicContact CG2-CB 4.04Å; T105-P136 HydrophobicContact CG2-CG 4.15Å; L110-P136 HydrophobicContact CD1-CG 4.14Å; P136-E138 PolarHBondContact O-N 3.35Å; P136-R139 PolarHBondContact O-N 3.49Å
137D94.3Very high94.3Very high51 Ų5171.1 Ų71.127%0.27334%0.335SS..G310 helixtrans-71.1-17179.5-65.5-34.8000114.2R104 T105 S135 R139R104-D137 WeakPolarHBondContact CA-OD1 3.23Å; R104-D137 VanDerWaalsContact CB-OD1 3.32Å; R104-D137 WeakPolarHBondContact CB-OD1 3.39Å; R104-D137 IonicContact CZ-OD1 2.7Å; R104-D137 IonicContact NE-OD1 3.77Å; R104-D137 PolarHBondContact NE-OD1 3.15Å; R104-D137 PolarHBondContact NH2-O 3.19Å; R104-D137 IonicContact NH2-OD1 2.84Å; T105-D137 WeakPolarHBondContact CB-OD2 3.29Å; T105-D137 WeakPolarHBondContact CG2-OD2 3.32Å; T105-D137 PolarHBondContact N-OD1 3.43Å; T105-D137 PolarHBondContact OG1-OD2 3.48Å; S135-D137 PolarHBondContact O-N 2.85Å; S135-D137 VanDerWaalsContact O-N 3.08Å; S135-D137 PolarHBondContact OG-N 2.87Å; D137-R139 PolarHBondContact O-N 3.23Å
138E92.3Very high94.4Very high106 Ų10666.1 Ų66.150%0.49532%0.318SS..G310 helixtrans-69.9-8175.7-64.7174.4152.900112.2Y134 S135 P136 H140Y134-E138 WeakPolarHBondContact CA-OE2 3.43Å; S135-E138 PolarHBondContact N-OE2 3.27Å; S135-E138 VanDerWaalsContact N-OE2 3.16Å; S135-E138 WeakPolarHBondContact O-CB 3.22Å; S135-E138 PolarHBondContact O-N 3.03Å; P136-E138 PolarHBondContact O-N 3.35Å; E138-H140 PolarHBondContact O-CD2 3.34Å; E138-H140 PolarHBondContact O-N 2.74Å
139R92.6Very high94.6Very high65 Ų6566.5 Ų66.525%0.24532%0.323CS..SBendtrans-77.2104170.4-56.7-61165173.5-8.4109.4R104 P136 D137 R158 H161 D162R104-R139 PolarHBondContact NH1-O 3.1Å; R104-R139 VanDerWaalsContact NH1-O 3.12Å; P136-R139 PolarHBondContact O-N 3.49Å; D137-R139 PolarHBondContact O-N 3.23Å; R139-R158 HydrophobicContact CB-CB 4.42Å; R139-H161 PolarHBondContact NH1-CE1 2.9Å; R139-H161 PolarHBondContact NH1-NE2 3.48Å; R139-H161 VanDerWaalsContact NH1-NE2 3.2Å; R139-H161 PolarHBondContact NH2-CE1 3.04Å; R139-H161 PolarHBondContact NH2-NE2 3.46Å; R139-D162 IonicContact CZ-OD2 3.78Å; R139-D162 IonicContact NE-OD2 3.56Å; R139-D162 IonicContact NH2-OD1 3.56Å; R139-D162 PolarHBondContact NH2-OD1 2.99Å; R139-D162 IonicContact NH2-OD2 3.28Å; R139-D162 PolarHBondContact NH2-OD2 3Å
140H91.8Very high94.8Very high91 Ų9166.6 Ų66.642%0.42132%0.323SS..PPolyproline II helixtrans-59.8137.8-178.2-67.2-165000111.4E138 R158E138-H140 PolarHBondContact O-CD2 3.34Å; E138-H140 PolarHBondContact O-N 2.74Å; H140-R158 PolarHBondContact O-NH1 2.87Å
141Y95.1Very high95Very high131 Ų13162.9 Ų62.951%0.51430%0.304SS..PPolyproline II helixtrans-58.4148.6166.9-70.8-74.8000110.9R104 L155R104-Y141 WeakPolarHBondContact CD-OH 3.42Å; R104-Y141 PolarHBondContact NE-OH 2.82Å; Y141-L155 HydrophobicContact CD1-CD1 4.36Å; Y141-L155 HydrophobicContact CD1-CD2 4.23Å; Y141-L155 HydrophobicContact CE1-CD2 4.39Å
142V97.5Very high95.2Very high7 Ų756.4 Ų56.44%0.04228%0.275CS..PPolyproline II helixtrans-76140.5177.5177.30000108.8Y36 E73 V145 S151 M154 L155Y36-V142 WeakPolarHBondContact CE2-O 3.49Å; E73-V142 HydrophobicContact CG-CG1 4.03Å; V142-V145 HydrophobicContact CG1-CB 3.69Å; V142-V145 HydrophobicContact CG1-CG2 3.57Å; V142-S151 WeakPolarHBondContact CG2-O 3.15Å; V142-M154 HydrophobicContact CG2-CB 3.83Å; V142-M154 HydrophobicContact CG2-CG 3.66Å; V142-L155 HydrophobicContact CG2-CB 4.05Å
143R96.9Very high95.5Very high128 Ų12850.9 Ų50.948%0.48325%0.254SS..  trans-131.2-29.4-176.5-56.3-179.178-179.67.8113.1H39 I40 E73H39-R143 PolarHBondContact CD2-O 2.95Å; H39-R143 VanDerWaalsContact CD2-O 3.32Å; I40-R143 HydrophobicContact CD1-CB 4.32Å; I40-R143 HydrophobicContact CG1-CB 4.43Å; I40-R143 PolarHBondContact N-O 3.35Å; E73-R143 PolarHBondContact OE2-N 3.2Å
144F97.7Very high95.7Very high24 Ų2448.7 Ų48.711%0.10523%0.228CC..SBendtrans-111.66.2-168.6-54.6-66.9000114.5I40 T42 K47 L50 T70 E73 T74I40-F144 HydrophobicContact CB-CD1 4.06Å; I40-F144 HydrophobicContact CB-CE1 3.92Å; I40-F144 HydrophobicContact CD1-CE1 3.78Å; I40-F144 HydrophobicContact CD1-CZ 4.1Å; I40-F144 HydrophobicContact CG1-CE1 4.43Å; I40-F144 HydrophobicContact CG2-CD1 4.36Å; I40-F144 HydrophobicContact CG2-CE1 4.03Å; T42-F144 HydrophobicContact CG2-CD1 3.86Å; T42-F144 HydrophobicContact CG2-CE1 4.37Å; K47-F144 PolarHBondContact NZ-O 3.16Å; L50-F144 HydrophobicContact CD1-CD1 3.96Å; L50-F144 HydrophobicContact CD1-CE1 3.88Å; L50-F144 HydrophobicContact CD1-CG 4.44Å; L50-F144 HydrophobicContact CD1-CZ 4.31Å; T70-F144 HydrophobicContact CG2-CD2 4.15Å; T70-F144 HydrophobicContact CG2-CE2 4Å; E73-F144 HydrophobicContact CB-CB 4.1Å; E73-F144 WeakPolarHBondContact OE2-CD2 3.49Å; E73-F144 PolarHBondContact OE2-N 3.24Å; T74-F144 HydrophobicContact CG2-CB 3.85Å; T74-F144 HydrophobicContact CG2-CG 4.3Å
145V97.7Very high96Very high8 Ų844.3 Ų44.35%0.04821%0.212CC..  trans-92.6120.9171.5179.90000108.4Y36 E73 L80 V142 L150Y36-V145 WeakPolarHBondContact CE1-O 3.24Å; Y36-V145 VanDerWaalsContact CZ-O 3.31Å; Y36-V145 PolarHBondContact OH-O 3.14Å; E73-V145 HydrophobicContact CB-CG2 3.99Å; E73-V145 HydrophobicContact CG-CG2 4.12Å; L80-V145 HydrophobicContact CD1-CG1 4.29Å; L80-V145 HydrophobicContact CD1-CG2 4.01Å; V142-V145 HydrophobicContact CG1-CB 3.69Å; V142-V145 HydrophobicContact CG1-CG2 3.57Å; V145-L150 HydrophobicContact CG1-CB 3.72Å
146D95.9Very high96.2Very high54 Ų5444.5 Ų44.529%0.28921%0.207SC..  trans-77.6-34.9-171-58.8-53.2000113.2N35 H39 K47 P148N35-D146 PolarHBondContact ND2-O 2.81Å; H39-D146 IonicContact CE1-OD1 2.71Å; H39-D146 IonicContact NE2-OD1 3.53Å; H39-D146 PolarHBondContact NE2-OD1 3.4Å; K47-D146 IonicContact NZ-OD2 2.71Å; K47-D146 PolarHBondContact NZ-OD2 3.15Å; D146-P148 WeakPolarHBondContact O-CD 3.35Å
147D96.2Very high96.3Very high60 Ų6050.3 Ų50.332%0.32123%0.229SC..SBendtrans-79.1124.2179.9-179-72.4000111.5D149 L150 S151D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 3.41Å; D147-D149 WeakPolarHBondContact OD1-CA 3.45Å; D147-D149 VanDerWaalsContact OD1-CB 3.32Å; D147-D149 WeakPolarHBondContact OD1-CB 3.25Å; D147-D149 PolarHBondContact OD1-N 2.89Å; D147-L150 HydrophobicContact CB-CB 4.02Å; D147-L150 HydrophobicContact CB-CD1 4.02Å; D147-L150 HydrophobicContact CB-CG 3.9Å; D147-L150 PolarHBondContact O-N 2.64Å; D147-L150 PolarHBondContact OD1-N 2.99Å; D147-S151 WeakPolarHBondContact O-CB 3.4Å; D147-S151 PolarHBondContact O-N 2.76Å
148P96.4Very high96.3Very high47 Ų4748.9 Ų48.931%0.30522%0.22SC..Hα-helixtrans-65.2-23.8-178.5-2433.9000116.2N35 Y36 R100 D146 S151 Y152N35-P148 HydrophobicContact CB-CG 4.07Å; N35-P148 WeakPolarHBondContact O-CG 3.32Å; Y36-P148 HydrophobicContact CD1-CB 4.15Å; Y36-P148 HydrophobicContact CD1-CG 4.22Å; R100-P148 PolarHBondContact NH1-O 2.93Å; R100-P148 PolarHBondContact NH2-O 3.42Å; R100-P148 VanDerWaalsContact NH2-O 3.16Å; D146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-S151 WeakPolarHBondContact CA-OG 3.34Å; P148-S151 PolarHBondContact O-OG 3.2Å; P148-S151 VanDerWaalsContact O-OG 3.07Å; P148-Y152 PolarHBondContact O-N 2.81Å
149D97.3Very high96.4Very high64 Ų6444.1 Ų44.134%0.34220%0.198SC..Hα-helixtrans-78.1-45174.3-74.3-45.4000110F84 R100 D147 S151 Y152 V153F84-D149 HydrophobicContact CD2-CB 4.21Å; F84-D149 HydrophobicContact CE2-CB 3.58Å; F84-D149 HydrophobicContact CZ-CB 4Å; R100-D149 IonicContact CZ-OD1 3.91Å; R100-D149 IonicContact NH2-OD1 3.89Å; R100-D149 PolarHBondContact NH2-OD1 2.81Å; D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 3.41Å; D147-D149 WeakPolarHBondContact OD1-CA 3.45Å; D147-D149 VanDerWaalsContact OD1-CB 3.32Å; D147-D149 WeakPolarHBondContact OD1-CB 3.25Å; D147-D149 PolarHBondContact OD1-N 2.89Å; D149-S151 VanDerWaalsContact C-N 3.32Å; D149-S151 PolarHBondContact O-N 2.96Å; D149-Y152 PolarHBondContact O-N 2.84Å; D149-V153 WeakPolarHBondContact O-CG2 3.41Å; D149-V153 PolarHBondContact O-N 3.47Å
150L98.2Very high96.5Very high4 Ų443.4 Ų43.42%0.02120%0.198CC..Hα-helixtrans-66.4-34.7175.8-59.3-172.7000112E77 L80 R81 F84 V145 D147 Y152 V153 M154E77-L150 HydrophobicContact CG-CD1 4.23Å; L80-L150 HydrophobicContact CB-CB 4.36Å; L80-L150 HydrophobicContact CB-CD2 4.23Å; L80-L150 HydrophobicContact CD1-CB 4.45Å; R81-L150 HydrophobicContact CG-CD1 3.71Å; R81-L150 HydrophobicContact CG-CD2 4.24Å; F84-L150 HydrophobicContact CB-CD2 3.75Å; F84-L150 HydrophobicContact CG-CD2 4.03Å; V145-L150 HydrophobicContact CG1-CB 3.72Å; D147-L150 HydrophobicContact CB-CB 4.02Å; D147-L150 HydrophobicContact CB-CD1 4.02Å; D147-L150 HydrophobicContact CB-CG 3.9Å; D147-L150 PolarHBondContact O-N 2.64Å; D147-L150 PolarHBondContact OD1-N 2.99Å; L150-Y152 VanDerWaalsContact C-N 3.32Å; L150-Y152 PolarHBondContact O-N 3.43Å; L150-V153 PolarHBondContact O-N 2.84Å; L150-M154 WeakPolarHBondContact O-CB 3.29Å; L150-M154 PolarHBondContact O-N 3.32Å
151S98Very high96.5Very high9 Ų940.7 Ų40.76%0.06319%0.186CC..Hα-helixtrans-62.9-41.4175.377.40000111Y36 V142 D147 P148 D149 M154 L155Y36-S151 VanDerWaalsContact CE1-CB 3.45Å; Y36-S151 WeakPolarHBondContact CE1-OG 3.39Å; Y36-S151 VanDerWaalsContact CZ-CB 3.48Å; V142-S151 WeakPolarHBondContact CG2-O 3.15Å; D147-S151 WeakPolarHBondContact O-CB 3.4Å; D147-S151 PolarHBondContact O-N 2.76Å; P148-S151 WeakPolarHBondContact CA-OG 3.34Å; P148-S151 PolarHBondContact O-OG 3.2Å; P148-S151 VanDerWaalsContact O-OG 3.07Å; D149-S151 VanDerWaalsContact C-N 3.32Å; D149-S151 PolarHBondContact O-N 2.96Å; S151-M154 PolarHBondContact O-N 3.4Å; S151-L155 PolarHBondContact O-N 3.26Å
152Y98.1Very high96.1Very high10 Ų1035.4 Ų35.44%0.03917%0.166CC..Hα-helixtrans-66.7-40.1172.8174.1-103.9000112.7I96 L97 R100 P101 P148 D149 L150 M154 L155 R156I96-Y152 HydrophobicContact CG2-CE1 4.12Å; I96-Y152 WeakPolarHBondContact O-CE1 3.49Å; L97-Y152 HydrophobicContact CD2-CD1 4.24Å; L97-Y152 HydrophobicContact CD2-CE1 4.46Å; R100-Y152 WeakPolarHBondContact CA-OH 3.37Å; R100-Y152 HydrophobicContact CB-CD2 4.04Å; R100-Y152 HydrophobicContact CB-CE1 4.31Å; R100-Y152 HydrophobicContact CB-CE2 3.7Å; R100-Y152 HydrophobicContact CG-CD1 4.07Å; R100-Y152 HydrophobicContact CG-CD2 4.17Å; R100-Y152 HydrophobicContact CG-CE1 4.06Å; R100-Y152 HydrophobicContact CG-CE2 4.18Å; R100-Y152 HydrophobicContact CG-CG 4.15Å; P101-Y152 VanDerWaalsContact CD-OH 3.27Å; P101-Y152 WeakPolarHBondContact CD-OH 3.31Å; P101-Y152 PolarHBondContact O-OH 2.9Å; P148-Y152 PolarHBondContact O-N 2.81Å; D149-Y152 PolarHBondContact O-N 2.84Å; L150-Y152 VanDerWaalsContact C-N 3.32Å; L150-Y152 PolarHBondContact O-N 3.43Å; Y152-M154 VanDerWaalsContact C-N 3.28Å; Y152-M154 PolarHBondContact O-N 2.94Å; Y152-L155 PolarHBondContact O-N 2.81Å; Y152-R156 HydrophobicContact CE1-CB 4.4Å; Y152-R156 HydrophobicContact CE2-CB 4.47Å; Y152-R156 VanDerWaalsContact O-CB 3.26Å; Y152-R156 WeakPolarHBondContact O-CB 3.48Å; Y152-R156 PolarHBondContact O-N 2.87Å
153V98.1Very high95.8Very high0 Ų036.9 Ų36.90%017%0.174CC..Hα-helixtrans-59.3-42.1174.6171.60000111.2L80 I83 F84 K87 L97 D149 L150 R156 Y157L80-V153 HydrophobicContact CD2-CG1 4.05Å; I83-V153 HydrophobicContact CB-CG1 3.9Å; I83-V153 HydrophobicContact CG2-CG1 3.53Å; F84-V153 HydrophobicContact CB-CG2 4.17Å; F84-V153 HydrophobicContact CD2-CG2 3.85Å; K87-V153 HydrophobicContact CD-CG2 4.37Å; L97-V153 HydrophobicContact CD2-CG2 3.84Å; D149-V153 WeakPolarHBondContact O-CG2 3.41Å; D149-V153 PolarHBondContact O-N 3.47Å; L150-V153 PolarHBondContact O-N 2.84Å; V153-R156 PolarHBondContact O-N 3.32Å; V153-Y157 WeakPolarHBondContact O-CB 3.28Å; V153-Y157 PolarHBondContact O-N 3.16Å
154M98.1Very high95.1Very high13 Ų1335.5 Ų35.56%0.06418%0.179CC..Hα-helixtrans-65.5-46.4176.7-177.858.8172.800111.9E73 L80 V142 L150 S151 Y152 R156 Y157 R158E73-M154 HydrophobicContact CG-CE 4.14Å; E73-M154 HydrophobicContact CG-CG 4.26Å; L80-M154 HydrophobicContact CD1-CB 3.92Å; L80-M154 HydrophobicContact CD1-CG 4.44Å; L80-M154 HydrophobicContact CD2-CB 3.68Å; L80-M154 HydrophobicContact CD2-CG 4.34Å; L80-M154 HydrophobicContact CD2-SD 3.87Å; L80-M154 HydrophobicContact CG-CB 4.47Å; V142-M154 HydrophobicContact CG2-CB 3.83Å; V142-M154 HydrophobicContact CG2-CG 3.66Å; L150-M154 WeakPolarHBondContact O-CB 3.29Å; L150-M154 PolarHBondContact O-N 3.32Å; S151-M154 PolarHBondContact O-N 3.4Å; Y152-M154 VanDerWaalsContact C-N 3.28Å; Y152-M154 PolarHBondContact O-N 2.94Å; M154-R156 VanDerWaalsContact C-N 3.34Å; M154-R156 PolarHBondContact O-N 2.87Å; M154-Y157 WeakPolarHBondContact O-CB 3.39Å; M154-Y157 PolarHBondContact O-N 2.9Å; M154-Y157 HydrophobicContact SD-CD1 4.25Å; M154-R158 VanDerWaalsContact CE-NH2 3.31Å; M154-R158 WeakPolarHBondContact O-CG 3.29Å; M154-R158 PolarHBondContact O-N 2.83Å; M154-R158 VanDerWaalsContact O-N 3.11Å
155L97.2Very high94Very high17 Ų1740.8 Ų40.89%0.08920%0.204CC..Hα-helixtrans-58-49.6175.3177.661.7000110.6T102 Y141 V142 S151 Y152 Y157 R158 E159T102-L155 HydrophobicContact CG2-CD2 4.45Å; Y141-L155 HydrophobicContact CD1-CD1 4.36Å; Y141-L155 HydrophobicContact CD1-CD2 4.23Å; Y141-L155 HydrophobicContact CE1-CD2 4.39Å; V142-L155 HydrophobicContact CG2-CB 4.05Å; S151-L155 PolarHBondContact O-N 3.26Å; Y152-L155 PolarHBondContact O-N 2.81Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.36Å; L155-R158 WeakPolarHBondContact O-CB 3.46Å; L155-R158 PolarHBondContact O-N 3.41Å; L155-E159 HydrophobicContact CD1-CG 4.4Å; L155-E159 WeakPolarHBondContact O-CG 3.41Å; L155-E159 PolarHBondContact O-N 3.4Å
156R96.7Very high91.7Very high39 Ų3949.8 Ų49.815%0.14726%0.259CS..Hα-helixtrans-61.7-38.9-179.2-17462.1-174.8147.81.4111.9I96 Y152 V153 M154 R158 E159 I160I96-R156 HydrophobicContact CG2-CG 4.46Å; Y152-R156 HydrophobicContact CE1-CB 4.4Å; Y152-R156 HydrophobicContact CE2-CB 4.47Å; Y152-R156 VanDerWaalsContact O-CB 3.26Å; Y152-R156 WeakPolarHBondContact O-CB 3.48Å; Y152-R156 PolarHBondContact O-N 2.87Å; V153-R156 PolarHBondContact O-N 3.32Å; M154-R156 VanDerWaalsContact C-N 3.34Å; M154-R156 PolarHBondContact O-N 2.87Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-E159 IonicContact NH1-OE2 2.6Å; R156-E159 PolarHBondContact NH1-OE2 2.92Å; R156-E159 PolarHBondContact O-N 3.24Å; R156-I160 VanDerWaalsContact NH1-CG2 3.33Å; R156-I160 WeakPolarHBondContact O-CG1 3.48Å; R156-I160 WeakPolarHBondContact O-CG2 3.34Å; R156-I160 PolarHBondContact O-N 3.44Å; R156-I160 VanDerWaalsContact O-N 3.16Å
157Y95.7Very high91.4Very high129 Ų12949.6 Ų49.651%0.50626%0.258SS..Hα-helixtrans-58.3-45.2173.8168.5-104.9000111.5V153 M154 L155 I160 H161V153-Y157 WeakPolarHBondContact O-CB 3.28Å; V153-Y157 PolarHBondContact O-N 3.16Å; M154-Y157 WeakPolarHBondContact O-CB 3.39Å; M154-Y157 PolarHBondContact O-N 2.9Å; M154-Y157 HydrophobicContact SD-CD1 4.25Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.36Å; Y157-I160 PolarHBondContact O-N 2.92Å; Y157-H161 WeakPolarHBondContact O-CB 3.48Å; Y157-H161 PolarHBondContact O-N 3.49Å; Y157-H161 VanDerWaalsContact O-N 3.09Å
158R95.1Very high91.2Very high20 Ų2049 Ų498%0.07525%0.254CS..Hα-helixtrans-62.8-44.5176.9-67.8174.4174.1166.14.8113S69 E73 R139 H140 M154 L155 R156 I160 H161S69-R158 PolarHBondContact O-NH2 3.48Å; S69-R158 PolarHBondContact OG-NH1 2.98Å; S69-R158 PolarHBondContact OG-NH2 3.28Å; E73-R158 VanDerWaalsContact CD-NH2 3.32Å; E73-R158 IonicContact OE1-CZ 3.78Å; E73-R158 IonicContact OE1-NH1 3.34Å; E73-R158 PolarHBondContact OE1-NH1 3.27Å; E73-R158 IonicContact OE1-NH2 3.41Å; E73-R158 PolarHBondContact OE1-NH2 3.35Å; R139-R158 HydrophobicContact CB-CB 4.42Å; H140-R158 PolarHBondContact O-NH1 2.87Å; M154-R158 VanDerWaalsContact CE-NH2 3.31Å; M154-R158 WeakPolarHBondContact O-CG 3.29Å; M154-R158 PolarHBondContact O-N 2.83Å; M154-R158 VanDerWaalsContact O-N 3.11Å; L155-R158 WeakPolarHBondContact O-CB 3.46Å; L155-R158 PolarHBondContact O-N 3.41Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-I160 VanDerWaalsContact C-N 3.3Å; R158-I160 PolarHBondContact O-N 2.86Å; R158-H161 PolarHBondContact O-ND1 3.37Å
159E94.9Very high90.9Very high6 Ų649.1 Ų49.13%0.02825%0.252CS..Hα-helixtrans-63.5-37-178.2-70.7178.8153.400112.4T102 I103 L155 R156T102-E159 WeakPolarHBondContact CA-OE1 3.49Å; T102-E159 WeakPolarHBondContact CB-OE1 3.33Å; I103-E159 HydrophobicContact CB-CB 4.28Å; I103-E159 VanDerWaalsContact N-CD 3.29Å; I103-E159 PolarHBondContact N-OE1 2.89Å; I103-E159 PolarHBondContact N-OE2 3.3Å; L155-E159 HydrophobicContact CD1-CG 4.4Å; L155-E159 WeakPolarHBondContact O-CG 3.41Å; L155-E159 PolarHBondContact O-N 3.4Å; R156-E159 IonicContact NH1-OE2 2.6Å; R156-E159 PolarHBondContact NH1-OE2 2.92Å; R156-E159 PolarHBondContact O-N 3.24Å
160I94.2Very high90.5Very high51 Ų5148.2 Ų48.226%0.26225%0.246SC..Hα-helixtrans-94-12.8-175.373.6-179.7000114.4I103 R156 Y157 R158 D162 L163 V164I103-I160 HydrophobicContact CD1-CG2 4.37Å; R156-I160 VanDerWaalsContact NH1-CG2 3.33Å; R156-I160 WeakPolarHBondContact O-CG1 3.48Å; R156-I160 WeakPolarHBondContact O-CG2 3.34Å; R156-I160 PolarHBondContact O-N 3.44Å; R156-I160 VanDerWaalsContact O-N 3.16Å; Y157-I160 PolarHBondContact O-N 2.92Å; R158-I160 VanDerWaalsContact C-N 3.3Å; R158-I160 PolarHBondContact O-N 2.86Å; I160-D162 PolarHBondContact O-N 3.22Å; I160-D162 VanDerWaalsContact O-N 3.17Å; I160-L163 HydrophobicContact CB-CD1 4.22Å; I160-L163 HydrophobicContact CG2-CD1 4.21Å; I160-L163 WeakPolarHBondContact O-CA 3.43Å; I160-L163 VanDerWaalsContact O-CB 3.22Å; I160-L163 WeakPolarHBondContact O-CB 3.48Å; I160-L163 PolarHBondContact O-N 3.16Å; I160-V164 PolarHBondContact O-N 3.17Å
161H92Very high90.1Very high34 Ų3451 Ų5116%0.15726%0.26CS..G310 helixtrans-59.1-34-171.584.3-53.3000112.4R139 Y157 R158 L163 V164 H165R139-H161 PolarHBondContact NH1-CE1 2.9Å; R139-H161 PolarHBondContact NH1-NE2 3.48Å; R139-H161 VanDerWaalsContact NH1-NE2 3.2Å; R139-H161 PolarHBondContact NH2-CE1 3.04Å; R139-H161 PolarHBondContact NH2-NE2 3.46Å; Y157-H161 WeakPolarHBondContact O-CB 3.48Å; Y157-H161 PolarHBondContact O-N 3.49Å; Y157-H161 VanDerWaalsContact O-N 3.09Å; R158-H161 PolarHBondContact O-ND1 3.37Å; H161-L163 VanDerWaalsContact C-N 3.3Å; H161-L163 PolarHBondContact O-N 2.92Å; H161-V164 WeakPolarHBondContact O-CG2 3.33Å; H161-V164 PolarHBondContact O-N 3.45Å; H161-H165 AromaticContact CD2-NE2 3.6Å; H161-H165 PolarHBondContact O-CD2 3.01Å; H161-H165 VanDerWaalsContact O-CD2 3.29Å; H161-H165 PolarHBondContact O-N 3.44Å
162D86.1Confident89.5Confident20 Ų2053.8 Ų53.811%0.10727%0.273CS..G310 helixtrans-67.8-32.6175.1-78.5-32.4000111.7F128 R139 I160 V164 H165F128-D162 HydrophobicContact CE1-CB 3.83Å; F128-D162 HydrophobicContact CZ-CB 4.23Å; R139-D162 IonicContact CZ-OD2 3.78Å; R139-D162 IonicContact NE-OD2 3.56Å; R139-D162 IonicContact NH2-OD1 3.56Å; R139-D162 PolarHBondContact NH2-OD1 2.99Å; R139-D162 IonicContact NH2-OD2 3.28Å; R139-D162 PolarHBondContact NH2-OD2 3Å; I160-D162 PolarHBondContact O-N 3.22Å; I160-D162 VanDerWaalsContact O-N 3.17Å; D162-V164 PolarHBondContact O-N 3.42Å; D162-H165 PolarHBondContact O-N 3.39Å
163L90.4Very high88.9Confident38 Ų3856.9 Ų56.920%0.19929%0.29CS..G310 helixtrans-67.8-20.7178.2-54.9-177.1000112.5I103 F121 Y125 I160 H161I103-L163 HydrophobicContact CD1-CD1 3.82Å; F121-L163 HydrophobicContact CE1-CD2 4.28Å; F121-L163 HydrophobicContact CZ-CB 4.06Å; F121-L163 HydrophobicContact CZ-CD1 4.17Å; F121-L163 HydrophobicContact CZ-CD2 3.84Å; F121-L163 HydrophobicContact CZ-CG 4.24Å; Y125-L163 HydrophobicContact CD1-CD2 4.39Å; Y125-L163 HydrophobicContact CD2-CD2 3.25Å; Y125-L163 HydrophobicContact CE1-CD2 4.48Å; Y125-L163 HydrophobicContact CE2-CD2 3.38Å; Y125-L163 HydrophobicContact CG-CD2 3.79Å; I160-L163 HydrophobicContact CB-CD1 4.22Å; I160-L163 HydrophobicContact CG2-CD1 4.21Å; I160-L163 WeakPolarHBondContact O-CA 3.43Å; I160-L163 VanDerWaalsContact O-CB 3.22Å; I160-L163 WeakPolarHBondContact O-CB 3.48Å; I160-L163 PolarHBondContact O-N 3.16Å; H161-L163 VanDerWaalsContact C-N 3.3Å; H161-L163 PolarHBondContact O-N 2.92Å
164V84.2Confident88.2Confident98 Ų9861.3 Ų61.359%0.59431%0.312SS*.G310 helixtrans-105.12.7-178.2-58.30000113I160 H161 D162 T166I160-V164 PolarHBondContact O-N 3.17Å; H161-V164 WeakPolarHBondContact O-CG2 3.33Å; H161-V164 PolarHBondContact O-N 3.45Å; D162-V164 PolarHBondContact O-N 3.42Å; V164-T166 PolarHBondContact O-N 3.12Å
165H72.6Confident87.4Confident135 Ų13565.3 Ų65.363%0.62533%0.333SS*.  trans-78.978.3164.4-72.4-51.8000109.2H161 D162H161-H165 AromaticContact CD2-NE2 3.6Å; H161-H165 PolarHBondContact O-CD2 3.01Å; H161-H165 VanDerWaalsContact O-CD2 3.29Å; H161-H165 PolarHBondContact O-N 3.44Å; D162-H165 PolarHBondContact O-N 3.39Å
166T49.7Very low86.5Confident197 Ų19769.7 Ų69.7100%1.20936%0.355SS*.  trans-112.10167.7-8.30000110V164V164-T166 PolarHBondContact O-N 3.12Å

Retrieved 166 of 166 residues in 152.3 ms (Link to these results)

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