A0A077Z6R7_TRITR Loading...

SANT domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z6R7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 411 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
1M79.8Confident80.4Confident180 Ų180100.9 Ų100.989%0.88750%0.495SS*.  0-50.70-154171.48400111.7L3 V4 M5M1-L3 PolarHBondContact O-N 3.03Å; M1-V4 WeakPolarHBondContact O-CB 3.38Å; M1-V4 PolarHBondContact O-N 3Å; M1-M5 PolarHBondContact O-N 3.25Å; M1-M5 VanDerWaalsContact O-N 3.11Å
2Y75.8Confident80.6Confident112 Ų11295.7 Ų95.744%0.43947%0.473SS..Hα-helixtrans-49.6-47.3178-75.1-84.6000115.7V4 M5 L6 L57Y2-V4 VanDerWaalsContact C-N 3.26Å; Y2-V4 PolarHBondContact O-N 2.88Å; Y2-M5 PolarHBondContact O-N 3.12Å; Y2-L6 WeakPolarHBondContact O-CB 3.14Å; Y2-L6 PolarHBondContact O-N 3.16Å; Y2-L57 HydrophobicContact CD1-CD2 3.61Å; Y2-L57 HydrophobicContact CE1-CD2 3.48Å; Y2-L57 VanDerWaalsContact CE1-CD2 3.48Å
3L79.3Confident80.8Confident145 Ų14592.1 Ų92.176%0.75946%0.456SS*.Hα-helixtrans-61.8-33.1178.7-71.4172.2000113.3M1 Y7M1-L3 PolarHBondContact O-N 3.03Å; L3-Y7 VanDerWaalsContact O-CB 3.29Å; L3-Y7 WeakPolarHBondContact O-CB 3.29Å; L3-Y7 PolarHBondContact O-N 3.24Å
4V79.3Confident81.1Confident91 Ų9197.5 Ų97.555%0.55247%0.468SS*.Hα-helixtrans-72.9-42177.1-179.70000110M1 Y2 Y7 I8M1-V4 WeakPolarHBondContact O-CB 3.38Å; M1-V4 PolarHBondContact O-N 3Å; Y2-V4 VanDerWaalsContact C-N 3.26Å; Y2-V4 PolarHBondContact O-N 2.88Å; V4-Y7 PolarHBondContact O-N 3.23Å; V4-I8 HydrophobicContact CG1-CD1 3.93Å; V4-I8 HydrophobicContact CG1-CG1 4.47Å; V4-I8 VanDerWaalsContact O-CG1 3.26Å; V4-I8 WeakPolarHBondContact O-CG1 3.29Å; V4-I8 PolarHBondContact O-N 3.32Å
5M79.1Confident81.4Confident73 Ų7397.8 Ų97.836%0.3647%0.473SS..Hα-helixtrans-62.7-44.5175.3-71.5-66.3-159.900111.9M1 Y2 Y7 I8 L9 L53M1-M5 PolarHBondContact O-N 3.25Å; M1-M5 VanDerWaalsContact O-N 3.11Å; Y2-M5 PolarHBondContact O-N 3.12Å; M5-Y7 VanDerWaalsContact C-N 3.34Å; M5-Y7 PolarHBondContact O-N 2.89Å; M5-I8 PolarHBondContact O-N 2.95Å; M5-L9 WeakPolarHBondContact O-CB 3.48Å; M5-L9 PolarHBondContact O-N 3.46Å; M5-L53 HydrophobicContact SD-CD2 4.07Å
6L79Confident81.3Confident95 Ų9596.6 Ų96.650%0.49746%0.463SS..Hα-helixtrans-61.5-41.3174.6-82.9161.3000112Y2 L9 F10Y2-L6 WeakPolarHBondContact O-CB 3.14Å; Y2-L6 PolarHBondContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 2.97Å; L6-F10 WeakPolarHBondContact O-CB 3.3Å; L6-F10 PolarHBondContact O-N 3.03Å
7Y81.2Confident81.3Confident157 Ų15794.1 Ų94.162%0.61646%0.462SS*.Hα-helixtrans-64.7-44.2176.2-176.8-98.5000112.1L3 V4 M5 F10 C11L3-Y7 VanDerWaalsContact O-CB 3.29Å; L3-Y7 WeakPolarHBondContact O-CB 3.29Å; L3-Y7 PolarHBondContact O-N 3.24Å; V4-Y7 PolarHBondContact O-N 3.23Å; M5-Y7 VanDerWaalsContact C-N 3.34Å; M5-Y7 PolarHBondContact O-N 2.89Å; Y7-F10 PolarHBondContact O-N 2.85Å; Y7-C11 WeakPolarHBondContact O-CB 3.5Å; Y7-C11 PolarHBondContact O-N 3.31Å; Y7-C11 PolarHBondContact O-SG 3.41Å; Y7-C11 VanDerWaalsContact O-SG 3.34Å
8I82.5Confident81.4Confident73 Ų7391.7 Ų91.737%0.37446%0.459SS..Hα-helixtrans-61.1-47.3176.1-69166.3000110.3V4 M5 F10 C11 V12V4-I8 HydrophobicContact CG1-CD1 3.93Å; V4-I8 HydrophobicContact CG1-CG1 4.47Å; V4-I8 VanDerWaalsContact O-CG1 3.26Å; V4-I8 WeakPolarHBondContact O-CG1 3.29Å; V4-I8 PolarHBondContact O-N 3.32Å; M5-I8 PolarHBondContact O-N 2.95Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 2.69Å; I8-C11 WeakPolarHBondContact O-CB 3.06Å; I8-C11 PolarHBondContact O-N 3.42Å; I8-V12 HydrophobicContact CG2-CG2 4.38Å; I8-V12 WeakPolarHBondContact O-CG2 3.33Å; I8-V12 PolarHBondContact O-N 2.78Å
9L81.8Confident81.4Confident34 Ų3491 Ų9118%0.17846%0.46CS..Hα-helixtrans-59.4-45.2177.9-175.664.8000111.3M5 L6 C11 V12 I13 V50 L53M5-L9 WeakPolarHBondContact O-CB 3.48Å; M5-L9 PolarHBondContact O-N 3.46Å; L6-L9 PolarHBondContact O-N 2.97Å; L9-C11 PolarHBondContact O-N 2.68Å; L9-V12 PolarHBondContact O-N 2.67Å; L9-I13 HydrophobicContact CD1-CD1 4.27Å; L9-I13 HydrophobicContact CG-CD1 3.94Å; L9-I13 VanDerWaalsContact O-CG1 3.27Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.98Å; L9-V50 HydrophobicContact CD1-CG2 4.08Å; L9-L53 HydrophobicContact CD1-CD1 4.28Å
10F81.2Confident81.3Confident98 Ų9890.8 Ų90.843%0.4346%0.456SS..Hα-helixtrans-61.1-41.9175.8-175.4-97.3000112.5L6 Y7 I8 I13 R14L6-F10 WeakPolarHBondContact O-CB 3.3Å; L6-F10 PolarHBondContact O-N 3.03Å; Y7-F10 PolarHBondContact O-N 2.85Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 2.69Å; F10-I13 PolarHBondContact O-N 3.32Å; F10-R14 HydrophobicContact CD1-CG 4.25Å; F10-R14 HydrophobicContact CE1-CG 3.93Å; F10-R14 HydrophobicContact CZ-CG 4.15Å; F10-R14 VanDerWaalsContact CZ-NE 3.31Å; F10-R14 WeakPolarHBondContact O-CB 3.5Å; F10-R14 WeakPolarHBondContact O-CG 3.31Å; F10-R14 PolarHBondContact O-N 3.47Å
11C85Confident81.2Confident52 Ų5295.2 Ų95.235%0.35147%0.467SS..Hα-helixtrans-63-43.3174.9-75.30000112.2Y7 I8 L9 R14 L15Y7-C11 WeakPolarHBondContact O-CB 3.5Å; Y7-C11 PolarHBondContact O-N 3.31Å; Y7-C11 PolarHBondContact O-SG 3.41Å; Y7-C11 VanDerWaalsContact O-SG 3.34Å; I8-C11 WeakPolarHBondContact O-CB 3.06Å; I8-C11 PolarHBondContact O-N 3.42Å; L9-C11 PolarHBondContact O-N 2.68Å; C11-R14 PolarHBondContact O-N 2.77Å; C11-L15 VanDerWaalsContact O-CB 3.3Å; C11-L15 WeakPolarHBondContact O-CB 3.11Å; C11-L15 PolarHBondContact O-N 2.65Å
12V82.8Confident81.1Confident38 Ų3890.3 Ų90.323%0.2345%0.45CS..Hα-helixtrans-64-44.1177.7172.50000110.7I8 L9 L15 Y16 V46I8-V12 HydrophobicContact CG2-CG2 4.38Å; I8-V12 WeakPolarHBondContact O-CG2 3.33Å; I8-V12 PolarHBondContact O-N 2.78Å; L9-V12 PolarHBondContact O-N 2.67Å; V12-L15 PolarHBondContact O-N 3.48Å; V12-Y16 WeakPolarHBondContact O-CB 3.12Å; V12-Y16 PolarHBondContact O-N 3.42Å; V12-V46 HydrophobicContact CG1-CG1 4.29Å; V12-V46 HydrophobicContact CG1-CG2 4.24Å
13I83.3Confident81.2Confident49 Ų4991 Ų9125%0.25145%0.453SS..Hα-helixtrans-62.9-45.2177-67.7165.2000110.9L9 F10 L15 Y16 A17 F174L9-I13 HydrophobicContact CD1-CD1 4.27Å; L9-I13 HydrophobicContact CG-CD1 3.94Å; L9-I13 VanDerWaalsContact O-CG1 3.27Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 2.98Å; F10-I13 PolarHBondContact O-N 3.32Å; I13-L15 PolarHBondContact O-N 3.15Å; I13-Y16 PolarHBondContact O-N 3.01Å; I13-A17 WeakPolarHBondContact O-CB 3.44Å; I13-A17 PolarHBondContact O-N 3.25Å; I13-F174 HydrophobicContact CD1-CE2 3.97Å; I13-F174 HydrophobicContact CD1-CZ 3.75Å; I13-F174 HydrophobicContact CG2-CE2 4.49Å
14R85.4Confident81Confident168 Ų16892 Ų9263%0.63445%0.448SS*.Hα-helixtrans-63.5-40.5176.8-78.5-124.2176.4166.9-2.6112.4F10 C11 A17 A18F10-R14 HydrophobicContact CD1-CG 4.25Å; F10-R14 HydrophobicContact CE1-CG 3.93Å; F10-R14 HydrophobicContact CZ-CG 4.15Å; F10-R14 VanDerWaalsContact CZ-NE 3.31Å; F10-R14 WeakPolarHBondContact O-CB 3.5Å; F10-R14 WeakPolarHBondContact O-CG 3.31Å; F10-R14 PolarHBondContact O-N 3.47Å; C11-R14 PolarHBondContact O-N 2.77Å; R14-A17 PolarHBondContact O-N 3.09Å; R14-A18 WeakPolarHBondContact O-CB 3.4Å; R14-A18 PolarHBondContact O-N 3.28Å
15L84.8Confident80.9Confident102 Ų10293.9 Ų93.953%0.53445%0.453SS..Hα-helixtrans-64-45175.6-174.965.9000110.7C11 V12 I13 A17 A18 V19C11-L15 VanDerWaalsContact O-CB 3.3Å; C11-L15 WeakPolarHBondContact O-CB 3.11Å; C11-L15 PolarHBondContact O-N 2.65Å; V12-L15 PolarHBondContact O-N 3.48Å; I13-L15 PolarHBondContact O-N 3.15Å; L15-A17 PolarHBondContact O-N 2.67Å; L15-A18 PolarHBondContact O-N 3.14Å; L15-V19 VanDerWaalsContact O-CG2 3.29Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.38Å
16Y81Confident80.5Confident79 Ų7995.4 Ų95.431%0.3147%0.47SS..Hα-helixtrans-60.1-46.1176.1-179.1-99.8000112V12 I13 A18 V19 K20 F42 V43V12-Y16 WeakPolarHBondContact O-CB 3.12Å; V12-Y16 PolarHBondContact O-N 3.42Å; I13-Y16 PolarHBondContact O-N 3.01Å; Y16-A18 VanDerWaalsContact C-N 3.34Å; Y16-A18 PolarHBondContact O-N 3.2Å; Y16-V19 PolarHBondContact O-N 3.29Å; Y16-K20 HydrophobicContact CE1-CD 4.3Å; Y16-K20 WeakPolarHBondContact O-CB 3.36Å; Y16-K20 PolarHBondContact O-N 2.76Å; Y16-F42 HydrophobicContact CD2-CD1 4.36Å; Y16-F42 HydrophobicContact CD2-CE1 4.12Å; Y16-V43 HydrophobicContact CE2-CG2 3.89Å
17A81.5Confident79.6Confident54 Ų5494 Ų9445%0.44646%0.463SS..Hα-helixtrans-62.2-40176.200000112.1I13 R14 L15 R21I13-A17 WeakPolarHBondContact O-CB 3.44Å; I13-A17 PolarHBondContact O-N 3.25Å; R14-A17 PolarHBondContact O-N 3.09Å; L15-A17 PolarHBondContact O-N 2.67Å; A17-R21 VanDerWaalsContact O-CB 3.31Å; A17-R21 WeakPolarHBondContact O-CB 3.39Å; A17-R21 PolarHBondContact O-N 3.41Å
18A82.1Confident78.5Confident51 Ų5192.1 Ų92.142%0.42147%0.471SS..Hα-helixtrans-65.8-45.5175.900000112.1R14 L15 Y16 R21 C22R14-A18 WeakPolarHBondContact O-CB 3.4Å; R14-A18 PolarHBondContact O-N 3.28Å; L15-A18 PolarHBondContact O-N 3.14Å; Y16-A18 VanDerWaalsContact C-N 3.34Å; Y16-A18 PolarHBondContact O-N 3.2Å; A18-R21 PolarHBondContact O-N 3.32Å; A18-C22 PolarHBondContact O-N 3.3Å; A18-C22 PolarHBondContact O-SG 2.97Å; A18-C22 VanDerWaalsContact O-SG 3.39Å
19V81.9Confident77Confident78 Ų7894.2 Ų94.247%0.47349%0.49SS..Hα-helixtrans-61.2-45.9176.7170.90000110.7L15 Y16 R21 C22 Y23L15-V19 VanDerWaalsContact O-CG2 3.29Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.38Å; Y16-V19 PolarHBondContact O-N 3.29Å; V19-R21 PolarHBondContact O-N 3.47Å; V19-C22 PolarHBondContact O-N 3.06Å; V19-Y23 WeakPolarHBondContact O-CB 3.49Å; V19-Y23 PolarHBondContact O-N 2.97Å
20K78.8Confident75.4Confident87 Ų8796 Ų9638%0.37851%0.509SS..Hα-helixtrans-61.8-42.7176.6-170.6172.3-177.8176.20111.5Y16 Y23 Y24Y16-K20 HydrophobicContact CE1-CD 4.3Å; Y16-K20 WeakPolarHBondContact O-CB 3.36Å; Y16-K20 PolarHBondContact O-N 2.76Å; K20-Y23 WeakPolarHBondContact O-CB 3.27Å; K20-Y23 PolarHBondContact O-N 2.79Å; K20-Y24 HydrophobicContact CD-CE2 4.35Å; K20-Y24 HydrophobicContact CG-CD2 4Å; K20-Y24 HydrophobicContact CG-CE2 3.69Å; K20-Y24 WeakPolarHBondContact O-CD2 3.45Å; K20-Y24 PolarHBondContact O-N 2.76Å; K20-Y24 VanDerWaalsContact O-N 3.1Å
21R80.1Confident73.8Confident184 Ų18496.9 Ų96.969%0.69453%0.528SS*.Hα-helixtrans-65.5-41177.6-162175.9-167.7173.14.7112.2A17 A18 V19 Y23 Y24 L25A17-R21 VanDerWaalsContact O-CB 3.31Å; A17-R21 WeakPolarHBondContact O-CB 3.39Å; A17-R21 PolarHBondContact O-N 3.41Å; A18-R21 PolarHBondContact O-N 3.32Å; V19-R21 PolarHBondContact O-N 3.47Å; R21-Y23 VanDerWaalsContact C-N 3.34Å; R21-Y24 PolarHBondContact O-N 3.25Å; R21-L25 HydrophobicContact CG-CD1 3.98Å; R21-L25 WeakPolarHBondContact O-CB 3.46Å; R21-L25 WeakPolarHBondContact O-CG 3.37Å; R21-L25 PolarHBondContact O-N 2.81Å
22C77.9Confident72.2Confident77 Ų7797.6 Ų97.652%0.5253%0.531SS..Hα-helixtrans-63.2-40.4172.6-720000111.7A18 V19 Y24 L25 C26A18-C22 PolarHBondContact O-N 3.3Å; A18-C22 PolarHBondContact O-SG 2.97Å; A18-C22 VanDerWaalsContact O-SG 3.39Å; V19-C22 PolarHBondContact O-N 3.06Å; C22-Y24 PolarHBondContact O-N 3.21Å; C22-L25 PolarHBondContact O-N 2.54Å; C22-C26 VanDerWaalsContact O-CB 3.26Å; C22-C26 WeakPolarHBondContact O-CB 3.17Å; C22-C26 PolarHBondContact O-N 3Å
23Y76.3Confident70.9Confident127 Ų127104 Ų10450%0.49856%0.562SS.*Hα-helixtrans-58.4-44.5177-177.9-96.2000112.3V19 K20 R21V19-Y23 WeakPolarHBondContact O-CB 3.49Å; V19-Y23 PolarHBondContact O-N 2.97Å; K20-Y23 WeakPolarHBondContact O-CB 3.27Å; K20-Y23 PolarHBondContact O-N 2.79Å; R21-Y23 VanDerWaalsContact C-N 3.34Å
24Y75.6Confident69.6Low166 Ų166105.9 Ų105.965%0.65159%0.585SS**Hα-helixtrans-74.3-33.9177.6-76.1-71.6000113.9K20 R21 C22K20-Y24 HydrophobicContact CD-CE2 4.35Å; K20-Y24 HydrophobicContact CG-CD2 4Å; K20-Y24 HydrophobicContact CG-CE2 3.69Å; K20-Y24 WeakPolarHBondContact O-CD2 3.45Å; K20-Y24 PolarHBondContact O-N 2.76Å; K20-Y24 VanDerWaalsContact O-N 3.1Å; R21-Y24 PolarHBondContact O-N 3.25Å; C22-Y24 PolarHBondContact O-N 3.21Å
25L77.5Confident68.3Low129 Ų129104 Ų10468%0.67558%0.581SS**Hα-helixtrans-78.8-31.1-178.6-73.1171.4000113.2R21 C22R21-L25 HydrophobicContact CG-CD1 3.98Å; R21-L25 WeakPolarHBondContact O-CB 3.46Å; R21-L25 WeakPolarHBondContact O-CG 3.37Å; R21-L25 PolarHBondContact O-N 2.81Å; C22-L25 PolarHBondContact O-N 2.54Å
26C71.3Confident67.4Low106 Ų106104.5 Ų104.572%0.71659%0.585SS**SBendtrans-88.3-0.3-175.5-720000114.4C22C22-C26 VanDerWaalsContact O-CB 3.26Å; C22-C26 WeakPolarHBondContact O-CB 3.17Å; C22-C26 PolarHBondContact O-N 3Å
27N60.4Low66.8Low65 Ų65103.6 Ų103.635%0.34859%0.593SS.*  trans-134.679.6-170.7-143.3-10.5000115.4A30N27-A30 PolarHBondContact OD1-N 2.75Å
28P57.1Low66.3Low118 Ų118104.1 Ų104.177%0.76659%0.594SS**SBendtrans-85.7-24.6157.4-623.9000112.6
29C50.8Low65.8Low117 Ų117104.4 Ų104.479%0.79159%0.59SS**SBendtrans-159.493.6-169.2-65.90000112
30A48.8Very low65.3Low70 Ų70107.8 Ų107.858%0.57960%0.595SS**  trans176.9142145.200000112.3N27 V32N27-A30 PolarHBondContact OD1-N 2.75Å; A30-V32 PolarHBondContact O-N 2.99Å
31S47.3Very low65.2Low118 Ų118111.1 Ų111.183%0.82561%0.607SS**  trans-41.5119.117451.40000115.5
32V50.8Low64.8Low67 Ų67106.3 Ų106.341%0.40659%0.591SS.*  trans-142.987.5169.9-167.40000111.7A30 A34 F35A30-V32 PolarHBondContact O-N 2.99Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-F35 HydrophobicContact CG1-CB 3.42Å; V32-F35 VanDerWaalsContact CG1-CB 3.42Å; V32-F35 HydrophobicContact CG1-CD2 3.7Å; V32-F35 HydrophobicContact CG1-CG 3.93Å; V32-F35 VanDerWaalsContact CG1-N 3.35Å
33I56.1Low64.6Low172 Ų172105 Ų10588%0.88258%0.581SS**SBendtrans-84.1-14.4166.5-64174.3000110.7
34A56.3Low64.6Low88 Ų88103 Ų10373%0.72758%0.578SS**SBendtrans-93.5-22-173.300000115.7V32V32-A34 VanDerWaalsContact C-N 3.34Å
35F58Low64.7Low129 Ų129100.6 Ų100.657%0.56658%0.575SS**Hα-helixtrans-80.2-25.1177.6-96.9-106.9000113.7V32 A37 S38 V39V32-F35 HydrophobicContact CG1-CB 3.42Å; V32-F35 VanDerWaalsContact CG1-CB 3.42Å; V32-F35 HydrophobicContact CG1-CD2 3.7Å; V32-F35 HydrophobicContact CG1-CG 3.93Å; V32-F35 VanDerWaalsContact CG1-N 3.35Å; F35-A37 VanDerWaalsContact C-N 3.32Å; F35-A37 PolarHBondContact O-N 2.81Å; F35-S38 PolarHBondContact O-N 3.03Å; F35-S38 VanDerWaalsContact O-N 3.09Å; F35-S38 PolarHBondContact O-OG 2.76Å; F35-V39 HydrophobicContact CD1-CG2 4.23Å; F35-V39 PolarHBondContact O-N 3.29Å; F35-V39 VanDerWaalsContact O-N 3.15Å
36D65.1Low64.5Low113 Ų11395.8 Ų95.860%0.60455%0.551SS**Hα-helixtrans-61.2-41.6-164.9-146.3-6000111.8S38 Y40D36-S38 PolarHBondContact O-N 2.76Å; D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.23Å
37A70Confident64.6Low59 Ų5995.9 Ų95.949%0.48854%0.544SS..Hα-helixtrans-61.8-47.1176.100000112.3F35 V39 Y40 Y41F35-A37 VanDerWaalsContact C-N 3.32Å; F35-A37 PolarHBondContact O-N 2.81Å; A37-V39 PolarHBondContact O-N 2.78Å; A37-Y40 PolarHBondContact O-N 3.31Å; A37-Y41 WeakPolarHBondContact O-CB 2.93Å; A37-Y41 WeakPolarHBondContact O-CD2 3.44Å; A37-Y41 PolarHBondContact O-N 3.15Å
38S71.2Confident65.4Low66 Ų6694.5 Ų94.546%0.46255%0.546SS..Hα-helixtrans-66-38.2-175.568.60000113F35 D36 F42F35-S38 PolarHBondContact O-N 3.03Å; F35-S38 VanDerWaalsContact O-N 3.09Å; F35-S38 PolarHBondContact O-OG 2.76Å; D36-S38 PolarHBondContact O-N 2.76Å; S38-F42 WeakPolarHBondContact O-CB 3.43Å; S38-F42 PolarHBondContact O-N 3.48Å
39V70.5Confident66.3Low56 Ų5693.5 Ų93.534%0.33953%0.53SS..Hα-helixtrans-71.8-40.9177.3179.20000109.9F35 A37 F42 V43F35-V39 HydrophobicContact CD1-CG2 4.23Å; F35-V39 PolarHBondContact O-N 3.29Å; F35-V39 VanDerWaalsContact O-N 3.15Å; A37-V39 PolarHBondContact O-N 2.78Å; V39-F42 PolarHBondContact O-N 2.66Å; V39-V43 HydrophobicContact CG1-CG2 4.49Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 3.3Å; V39-V43 PolarHBondContact O-N 3.06Å
40Y71.8Confident67.3Low149 Ų14990.6 Ų90.658%0.58451%0.508SS*.Hα-helixtrans-61.9-45.5175.8-165.5-97.5000111.9D36 A37 F42 V43 L44D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.23Å; A37-Y40 PolarHBondContact O-N 3.31Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.27Å; Y40-V43 PolarHBondContact O-N 2.97Å; Y40-L44 HydrophobicContact CD1-CD1 3.79Å; Y40-L44 HydrophobicContact CD1-CG 4.26Å; Y40-L44 HydrophobicContact CE1-CD1 3.57Å; Y40-L44 HydrophobicContact CE1-CG 4.09Å; Y40-L44 WeakPolarHBondContact O-CG 3.33Å; Y40-L44 PolarHBondContact O-N 3.49Å
41Y75.5Confident68.5Low157 Ų15796.5 Ų96.562%0.61652%0.515SS*.Hα-helixtrans-60.9-41.8173.4-86.6-71.7000112A37 V43 L44 I45A37-Y41 WeakPolarHBondContact O-CB 2.93Å; A37-Y41 WeakPolarHBondContact O-CD2 3.44Å; A37-Y41 PolarHBondContact O-N 3.15Å; Y41-V43 PolarHBondContact O-N 3.08Å; Y41-L44 PolarHBondContact O-N 3.03Å; Y41-I45 WeakPolarHBondContact O-CB 3.41Å; Y41-I45 WeakPolarHBondContact O-CD1 3.4Å; Y41-I45 VanDerWaalsContact O-CG1 3.22Å; Y41-I45 WeakPolarHBondContact O-CG1 3.22Å; Y41-I45 PolarHBondContact O-N 2.87Å
42F72.8Confident69.8Low83 Ų8397.4 Ų97.436%0.36451%0.506SS..Hα-helixtrans-63.2-41.8176.7-171.2-97000111.9Y16 S38 V39 Y40 I45 V46Y16-F42 HydrophobicContact CD2-CD1 4.36Å; Y16-F42 HydrophobicContact CD2-CE1 4.12Å; S38-F42 WeakPolarHBondContact O-CB 3.43Å; S38-F42 PolarHBondContact O-N 3.48Å; V39-F42 PolarHBondContact O-N 2.66Å; Y40-F42 VanDerWaalsContact C-N 3.34Å; Y40-F42 PolarHBondContact O-N 3.27Å; F42-I45 PolarHBondContact O-N 2.91Å; F42-V46 HydrophobicContact CD1-CG2 4.01Å; F42-V46 HydrophobicContact CE1-CG2 3.66Å; F42-V46 HydrophobicContact CE2-CG2 4.5Å; F42-V46 HydrophobicContact CZ-CG2 3.93Å; F42-V46 VanDerWaalsContact O-CG2 3.28Å; F42-V46 WeakPolarHBondContact O-CG2 3.36Å; F42-V46 PolarHBondContact O-N 2.92Å
43V72.8Confident70.8Confident51 Ų5195.2 Ų95.231%0.30949%0.493SS..Hα-helixtrans-61.4-46.1175.2171.10000110.9Y16 V39 Y40 Y41 I45 V46 D47Y16-V43 HydrophobicContact CE2-CG2 3.89Å; V39-V43 HydrophobicContact CG1-CG2 4.49Å; V39-V43 VanDerWaalsContact O-CG2 3.3Å; V39-V43 WeakPolarHBondContact O-CG2 3.3Å; V39-V43 PolarHBondContact O-N 3.06Å; Y40-V43 PolarHBondContact O-N 2.97Å; Y41-V43 PolarHBondContact O-N 3.08Å; V43-I45 VanDerWaalsContact C-N 3.35Å; V43-I45 PolarHBondContact O-N 3.44Å; V43-V46 PolarHBondContact O-N 3.13Å; V43-D47 WeakPolarHBondContact O-CB 3.42Å; V43-D47 PolarHBondContact O-N 2.77Å
44L77Confident71.6Confident85 Ų8589.1 Ų89.145%0.44547%0.468SS..Hα-helixtrans-62.7-39.4177.6-71.8177.1000112.8Y40 Y41 D47 G48Y40-L44 HydrophobicContact CD1-CD1 3.79Å; Y40-L44 HydrophobicContact CD1-CG 4.26Å; Y40-L44 HydrophobicContact CE1-CD1 3.57Å; Y40-L44 HydrophobicContact CE1-CG 4.09Å; Y40-L44 WeakPolarHBondContact O-CG 3.33Å; Y40-L44 PolarHBondContact O-N 3.49Å; Y41-L44 PolarHBondContact O-N 3.03Å; L44-D47 PolarHBondContact O-N 2.7Å; L44-G48 PolarHBondContact O-N 2.82Å
45I76.9Confident72.2Confident115 Ų11591.6 Ų91.659%0.5946%0.462SS*.Hα-helixtrans-66-45.2177.1-69.9165.2000110.5Y41 F42 V43 G48 F49Y41-I45 WeakPolarHBondContact O-CB 3.41Å; Y41-I45 WeakPolarHBondContact O-CD1 3.4Å; Y41-I45 VanDerWaalsContact O-CG1 3.22Å; Y41-I45 WeakPolarHBondContact O-CG1 3.22Å; Y41-I45 PolarHBondContact O-N 2.87Å; F42-I45 PolarHBondContact O-N 2.91Å; V43-I45 VanDerWaalsContact C-N 3.35Å; V43-I45 PolarHBondContact O-N 3.44Å; I45-G48 PolarHBondContact O-N 2.78Å; I45-F49 VanDerWaalsContact O-CB 3.28Å; I45-F49 WeakPolarHBondContact O-CB 3.22Å; I45-F49 PolarHBondContact O-N 2.9Å
46V74.9Confident72.9Confident28 Ų2888.1 Ų88.117%0.1746%0.458CS..Hα-helixtrans-64.7-42.2178.1173.60000110.4V12 F42 V43 F49 V50V12-V46 HydrophobicContact CG1-CG1 4.29Å; V12-V46 HydrophobicContact CG1-CG2 4.24Å; F42-V46 HydrophobicContact CD1-CG2 4.01Å; F42-V46 HydrophobicContact CE1-CG2 3.66Å; F42-V46 HydrophobicContact CE2-CG2 4.5Å; F42-V46 HydrophobicContact CZ-CG2 3.93Å; F42-V46 VanDerWaalsContact O-CG2 3.28Å; F42-V46 WeakPolarHBondContact O-CG2 3.36Å; F42-V46 PolarHBondContact O-N 2.92Å; V43-V46 PolarHBondContact O-N 3.13Å; V46-F49 PolarHBondContact O-N 3.34Å; V46-V50 HydrophobicContact CG1-CG2 4.12Å; V46-V50 WeakPolarHBondContact O-CB 3.43Å; V46-V50 WeakPolarHBondContact O-CG2 3.38Å; V46-V50 PolarHBondContact O-N 3.29Å
47D71.6Confident73.2Confident107 Ų10786.7 Ų86.757%0.57245%0.449SS*.Hα-helixtrans-65.5-43.1179.7-156.742.3000111.6V43 L44 F49 V50 R51V43-D47 WeakPolarHBondContact O-CB 3.42Å; V43-D47 PolarHBondContact O-N 2.77Å; L44-D47 PolarHBondContact O-N 2.7Å; D47-F49 PolarHBondContact O-N 3.02Å; D47-V50 PolarHBondContact O-N 3.31Å; D47-R51 VanDerWaalsContact O-CB 3.29Å; D47-R51 WeakPolarHBondContact O-CB 3.49Å; D47-R51 PolarHBondContact O-N 3.11Å
48G79.2Confident73.1Confident37 Ų3788.2 Ų88.238%0.38145%0.449SS..Hα-helixtrans-60.6-44.2172.200000112.9L44 I45 R51 E52L44-G48 PolarHBondContact O-N 2.82Å; I45-G48 PolarHBondContact O-N 2.78Å; G48-R51 PolarHBondContact O-N 2.9Å; G48-E52 PolarHBondContact O-N 3.41Å
49F74.3Confident72.8Confident97 Ų9790.4 Ų90.443%0.42546%0.455SS..Hα-helixtrans-68.1-40.4179.9-169.8-104.3000112.7I45 V46 D47 R51 L53I45-F49 VanDerWaalsContact O-CB 3.28Å; I45-F49 WeakPolarHBondContact O-CB 3.22Å; I45-F49 PolarHBondContact O-N 2.9Å; V46-F49 PolarHBondContact O-N 3.34Å; D47-F49 PolarHBondContact O-N 3.02Å; F49-R51 VanDerWaalsContact C-N 3.31Å; F49-R51 PolarHBondContact O-N 3.04Å; F49-L53 HydrophobicContact CD1-CD1 3.64Å; F49-L53 HydrophobicContact CD1-CG 4.31Å; F49-L53 HydrophobicContact CE1-CD1 3.22Å; F49-L53 HydrophobicContact CE1-CG 4.02Å; F49-L53 HydrophobicContact CZ-CD1 3.82Å; F49-L53 HydrophobicContact CZ-CG 4.23Å; F49-L53 WeakPolarHBondContact O-CB 3.3Å; F49-L53 WeakPolarHBondContact O-CG 3.45Å; F49-L53 PolarHBondContact O-N 3.26Å
50V73.5Confident72.2Confident55 Ų5593.1 Ų93.133%0.33347%0.474SS..Hα-helixtrans-63.6-39.8174.9170.50000110.4L9 V46 D47 L53 A54L9-V50 HydrophobicContact CD1-CG2 4.08Å; V46-V50 HydrophobicContact CG1-CG2 4.12Å; V46-V50 WeakPolarHBondContact O-CB 3.43Å; V46-V50 WeakPolarHBondContact O-CG2 3.38Å; V46-V50 PolarHBondContact O-N 3.29Å; D47-V50 PolarHBondContact O-N 3.31Å; V50-L53 PolarHBondContact O-N 2.73Å; V50-A54 VanDerWaalsContact O-CB 3.25Å; V50-A54 WeakPolarHBondContact O-CB 3.2Å; V50-A54 PolarHBondContact O-N 3.25Å
51R73.9Confident71.6Confident194 Ų19493 Ų9373%0.73248%0.479SS*.Hα-helixtrans-67-43.7179.6-159.3173.9177.4-168.9-1.2112.5D47 G48 F49 A54 F55D47-R51 VanDerWaalsContact O-CB 3.29Å; D47-R51 WeakPolarHBondContact O-CB 3.49Å; D47-R51 PolarHBondContact O-N 3.11Å; G48-R51 PolarHBondContact O-N 2.9Å; F49-R51 VanDerWaalsContact C-N 3.31Å; F49-R51 PolarHBondContact O-N 3.04Å; R51-A54 PolarHBondContact O-N 3.23Å; R51-F55 WeakPolarHBondContact O-CB 3.45Å; R51-F55 PolarHBondContact O-N 2.69Å
52E73.5Confident70.7Confident137 Ų13793.9 Ų93.964%0.6449%0.485SS*.Hα-helixtrans-66.1-42.3174.5-75.3-62.3147.900112.1G48 F55 A56G48-E52 PolarHBondContact O-N 3.41Å; E52-F55 WeakPolarHBondContact O-CB 3.19Å; E52-F55 PolarHBondContact O-N 3.39Å; E52-A56 PolarHBondContact O-N 2.93Å
53L73.1Confident69.7Low22 Ų2297.5 Ų97.512%0.11551%0.509CS..Hα-helixtrans-64.5-41.9175.2-82.9178.2000112.3M5 L9 F49 V50 F55 A56 L57M5-L53 HydrophobicContact SD-CD2 4.07Å; L9-L53 HydrophobicContact CD1-CD1 4.28Å; F49-L53 HydrophobicContact CD1-CD1 3.64Å; F49-L53 HydrophobicContact CD1-CG 4.31Å; F49-L53 HydrophobicContact CE1-CD1 3.22Å; F49-L53 HydrophobicContact CE1-CG 4.02Å; F49-L53 HydrophobicContact CZ-CD1 3.82Å; F49-L53 HydrophobicContact CZ-CG 4.23Å; F49-L53 WeakPolarHBondContact O-CB 3.3Å; F49-L53 WeakPolarHBondContact O-CG 3.45Å; F49-L53 PolarHBondContact O-N 3.26Å; V50-L53 PolarHBondContact O-N 2.73Å; L53-F55 VanDerWaalsContact C-N 3.27Å; L53-F55 PolarHBondContact O-N 2.89Å; L53-A56 PolarHBondContact O-N 3.1Å; L53-L57 WeakPolarHBondContact O-CB 3.39Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.95Å
54A71.4Confident69.4Low43 Ų4397.8 Ų97.836%0.35551%0.513SS..Hα-helixtrans-60.3-40.4174.300000110.8V50 R51 L57 L58V50-A54 VanDerWaalsContact O-CB 3.25Å; V50-A54 WeakPolarHBondContact O-CB 3.2Å; V50-A54 PolarHBondContact O-N 3.25Å; R51-A54 PolarHBondContact O-N 3.23Å; A54-L57 PolarHBondContact O-N 3.45Å; A54-L58 WeakPolarHBondContact O-CB 3.44Å; A54-L58 WeakPolarHBondContact O-CD1 3.46Å; A54-L58 WeakPolarHBondContact O-CG 3.25Å; A54-L58 PolarHBondContact O-N 3.23Å
55F69.9Low69.1Low140 Ų14096.3 Ų96.361%0.61451%0.509SS*.Hα-helixtrans-63.8-43.3175.5-141.3-89.6000112.2R51 E52 L53 L58 L59R51-F55 WeakPolarHBondContact O-CB 3.45Å; R51-F55 PolarHBondContact O-N 2.69Å; E52-F55 WeakPolarHBondContact O-CB 3.19Å; E52-F55 PolarHBondContact O-N 3.39Å; L53-F55 VanDerWaalsContact C-N 3.27Å; L53-F55 PolarHBondContact O-N 2.89Å; F55-L58 PolarHBondContact O-N 2.98Å; F55-L59 PolarHBondContact O-N 3.42Å
56A72.1Confident68.6Low57 Ų5797.8 Ų97.847%0.47152%0.518SS..Hα-helixtrans-66.3-36177.600000112.8E52 L53 L58E52-A56 PolarHBondContact O-N 2.93Å; L53-A56 PolarHBondContact O-N 3.1Å; A56-L58 VanDerWaalsContact C-N 3.35Å
57L72.3Confident68.7Low82 Ų82100.5 Ų100.543%0.42954%0.538SS..Hα-helixtrans-74.4-24.2176.7-69.8177.3000113Y2 L53 A54Y2-L57 HydrophobicContact CD1-CD2 3.61Å; Y2-L57 HydrophobicContact CE1-CD2 3.48Å; Y2-L57 VanDerWaalsContact CE1-CD2 3.48Å; L53-L57 WeakPolarHBondContact O-CB 3.39Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.95Å; A54-L57 PolarHBondContact O-N 3.45Å
58L66.4Low69.1Low91 Ų9199.2 Ų99.248%0.47653%0.531SS..Hα-helixtrans-89.7-6.9-178.6-74.1170.1000114.2A54 F55 A56 P60A54-L58 WeakPolarHBondContact O-CB 3.44Å; A54-L58 WeakPolarHBondContact O-CD1 3.46Å; A54-L58 WeakPolarHBondContact O-CG 3.25Å; A54-L58 PolarHBondContact O-N 3.23Å; F55-L58 PolarHBondContact O-N 2.98Å; A56-L58 VanDerWaalsContact C-N 3.35Å; L58-P60 VanDerWaalsContact O-CD 3.3Å; L58-P60 WeakPolarHBondContact O-CD 3.39Å
59L66.4Low68.5Low113 Ų113102 Ų10259%0.59254%0.537SS*.SBendtrans-72.1118.5172.5-74.7173.1000109.4F55 E61F55-L59 PolarHBondContact O-N 3.42Å; L59-E61 PolarHBondContact O-N 3.4Å
60P57.4Low68.8Low113 Ų113101.9 Ų101.973%0.73454%0.544SS*.  trans-62.4128.5175.424.3-31.1000109.3L58 K62L58-P60 VanDerWaalsContact O-CD 3.3Å; L58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-K62 PolarHBondContact O-N 3.04Å
61E58.4Low69.1Low147 Ų147106.9 Ų106.969%0.68756%0.564SS**  trans-60.385.8166-74-177.4157.900108.2L59 D63L59-E61 PolarHBondContact O-N 3.4Å; E61-D63 PolarHBondContact O-N 2.81Å
62K56.6Low69.2Low174 Ų174102.6 Ų102.676%0.75756%0.559SS**  trans-87.398.7163.5-145.4-179.8-171.9-178.70105.6P60 S64P60-K62 PolarHBondContact O-N 3.04Å; K62-S64 PolarHBondContact O-N 3.15Å; K62-S64 PolarHBondContact O-OG 3.07Å
63D53.3Low69.5Low160 Ų160104.6 Ų104.686%0.85656%0.562SS**  trans-58.671163.9-73.5-31.7000109.3E61E61-D63 PolarHBondContact O-N 2.81Å
64S65.9Low69Low56 Ų56105.9 Ų105.939%0.39258%0.581SS.*  trans-87115.5171.4-40.50000104.4K62 L66K62-S64 PolarHBondContact O-N 3.15Å; K62-S64 PolarHBondContact O-OG 3.07Å; S64-L66 PolarHBondContact O-N 2.84Å
65S70.8Confident68.3Low54 Ų54113.9 Ų113.938%0.37860%0.603SS.*  trans-57.7144.217876.30000108.8S67 D68 L69S65-S67 PolarHBondContact O-N 3.2Å; S65-D68 WeakPolarHBondContact CB-OD2 3.33Å; S65-D68 PolarHBondContact N-OD2 3.13Å; S65-D68 PolarHBondContact O-N 2.77Å; S65-D68 PolarHBondContact OG-N 3.28Å; S65-D68 PolarHBondContact OG-OD2 3.46Å; S65-L69 PolarHBondContact O-N 3.21Å
66L65.3Low67.8Low147 Ų147112.2 Ų112.277%0.7761%0.606SS**Hα-helixtrans-52.7-28.9175.9-159.9101000111.1S64 L69 V70S64-L66 PolarHBondContact O-N 2.84Å; L66-L69 PolarHBondContact O-N 2.8Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.46Å
67S78.4Confident66.8Low85 Ų85115 Ų11559%0.59462%0.622SS**Hα-helixtrans-61.8-44.7173.6-50.20000112.8S65 L69 V70 E71S65-S67 PolarHBondContact O-N 3.2Å; S67-L69 VanDerWaalsContact C-N 3.29Å; S67-L69 PolarHBondContact O-N 2.98Å; S67-V70 PolarHBondContact O-N 3.49Å; S67-E71 WeakPolarHBondContact O-CB 3.44Å; S67-E71 PolarHBondContact O-N 2.81Å
68D79.2Confident66Low79 Ų79118.6 Ų118.642%0.42264%0.642SS.*Hα-helixtrans-67.2-32.5178.8-60.3-48.2000111.6S65 T72S65-D68 WeakPolarHBondContact CB-OD2 3.33Å; S65-D68 PolarHBondContact N-OD2 3.13Å; S65-D68 PolarHBondContact O-N 2.77Å; S65-D68 PolarHBondContact OG-N 3.28Å; S65-D68 PolarHBondContact OG-OD2 3.46Å; D68-T72 WeakPolarHBondContact O-CB 3.24Å; D68-T72 PolarHBondContact O-N 3.05Å; D68-T72 PolarHBondContact O-OG1 2.51Å
69L67Low64.9Low96 Ų96125.9 Ų125.950%0.50366%0.663SS.*Hα-helixtrans-74.3-38.7176.9-133.5130.8000111.4S65 L66 S67 E71 T72 Y73S65-L69 PolarHBondContact O-N 3.21Å; L66-L69 PolarHBondContact O-N 2.8Å; S67-L69 VanDerWaalsContact C-N 3.29Å; S67-L69 PolarHBondContact O-N 2.98Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-Y73 HydrophobicContact CD2-CD2 3.86Å; L69-Y73 HydrophobicContact CD2-CE2 4.11Å; L69-Y73 HydrophobicContact CG-CD2 4.14Å; L69-Y73 HydrophobicContact CG-CE2 4.22Å; L69-Y73 WeakPolarHBondContact O-CB 3.5Å; L69-Y73 VanDerWaalsContact O-CD2 3.29Å; L69-Y73 WeakPolarHBondContact O-CD2 3.29Å; L69-Y73 PolarHBondContact O-N 2.97Å
70V79.9Confident63.9Low95 Ų95132.2 Ų132.258%0.57668%0.679SS**Hα-helixtrans-68.9-32.6173172.60000111.5L66 S67 G74L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.46Å; S67-V70 PolarHBondContact O-N 3.49Å; V70-G74 WeakPolarHBondContact O-CA 3.29Å; V70-G74 PolarHBondContact O-N 2.85Å
71E79.3Confident63.1Low160 Ų160132.5 Ų132.575%0.74868%0.684SS**Hα-helixtrans-74.1-35.1175.6-167163.8-16700112.1S67 L69S67-E71 WeakPolarHBondContact O-CB 3.44Å; S67-E71 PolarHBondContact O-N 2.81Å; L69-E71 VanDerWaalsContact C-N 3.34Å
72T77.6Confident62.5Low103 Ų103131.8 Ų131.863%0.63269%0.694SS**Hα-helixtrans-75.5-32.1178.1-53.10000112.9D68 L69D68-T72 WeakPolarHBondContact O-CB 3.24Å; D68-T72 PolarHBondContact O-N 3.05Å; D68-T72 PolarHBondContact O-OG1 2.51Å; L69-T72 PolarHBondContact O-N 2.9Å
73Y78.3Confident62Low179 Ų179131.7 Ų131.770%0.70270%0.696SS**Hα-helixtrans-112.96.6-176.6-63.9-77.1000114.1L69 Y75L69-Y73 HydrophobicContact CD2-CD2 3.86Å; L69-Y73 HydrophobicContact CD2-CE2 4.11Å; L69-Y73 HydrophobicContact CG-CD2 4.14Å; L69-Y73 HydrophobicContact CG-CE2 4.22Å; L69-Y73 WeakPolarHBondContact O-CB 3.5Å; L69-Y73 VanDerWaalsContact O-CD2 3.29Å; L69-Y73 WeakPolarHBondContact O-CD2 3.29Å; L69-Y73 PolarHBondContact O-N 2.97Å; Y73-Y75 PolarHBondContact O-N 3.38Å
74G63.1Low61.5Low49 Ų49130.3 Ų130.351%0.50569%0.693SS.*  trans-67.3113.4179.100000112.2V70V70-G74 WeakPolarHBondContact O-CA 3.29Å; V70-G74 PolarHBondContact O-N 2.85Å
75Y57.5Low60.6Low212 Ų212132.6 Ų132.683%0.83172%0.715SS**  trans-55.2133.4174.4-116.3-97.3000111.4Y73 S77Y73-Y75 PolarHBondContact O-N 3.38Å; Y75-S77 PolarHBondContact O-N 3.16Å; Y75-S77 VanDerWaalsContact O-N 3.16Å
76P59.2Low59.5Low104 Ų104139.5 Ų139.568%0.67574%0.739SS**  trans-63.3120.1168.925-30000109.1D78P76-D78 PolarHBondContact O-N 3.18Å
77S51Low59Low116 Ų116140.8 Ų140.881%0.81174%0.744SS**  trans-74.788.4175.1-55.60000109.5Y75 R79Y75-S77 PolarHBondContact O-N 3.16Å; Y75-S77 VanDerWaalsContact O-N 3.16Å; S77-R79 PolarHBondContact O-N 3Å; S77-R79 VanDerWaalsContact O-N 3.12Å
78D55.4Low57.8Low157 Ų157142.8 Ų142.884%0.8475%0.753SS**  trans-72.3104.5170.1-90.6-24.5000110.3P76 R80P76-D78 PolarHBondContact O-N 3.18Å; D78-R80 PolarHBondContact O-N 3.07Å
79R43.8Very low56.2Low244 Ų244143.6 Ų143.692%0.92177%0.771SS**  trans-60112.9164.6-76.9179.2169.1-175.3-2.3109.9S77S77-R79 PolarHBondContact O-N 3Å; S77-R79 VanDerWaalsContact O-N 3.12Å
80R43.8Very low55.5Low247 Ų247150.5 Ų150.593%0.93279%0.79SS**  trans-131119.3145.9-81.7-169.4-170.6-176.54.7110.1D78D78-R80 PolarHBondContact O-N 3.07Å
81S41.6Very low54.3Low119 Ų119154.3 Ų154.383%0.83280%0.802SS**  trans-62.9132.6169.657.40000110.7
82C44.9Very low53.4Low132 Ų132155.9 Ų155.989%0.89281%0.809SS**  trans-148.5145.1140.9-142.40000110.7
83E46.1Very low52Low172 Ų172154.7 Ų154.780%0.80482%0.817SS**  trans-75.3147.2-160.3-112.3164.7152.800115.2
84T43.6Very low51.1Low131 Ų131151.7 Ų151.780%0.80482%0.823SS**  trans56114.4146.419.80000121.4
85A47.1Very low50.5Low103 Ų103156.7 Ų156.785%0.85184%0.838SS**  -165.4124.411700000110.8
86K48.6Very low50.5Low200 Ų200155.8 Ų155.887%0.8784%0.838SS**  trans-68.7141.7170.8-70.3168.7172.5174.20110.1
87I53.1Low50.3Low173 Ų173155.9 Ų155.989%0.88784%0.841SS**  trans-152.8141.1136.7-91143.1000108.7
88T53.6Low50.3Low128 Ų128156 Ų15679%0.78584%0.842SS**  trans-80.5144.9-163.17.80000115.5
89A46Very low50Low96 Ų96155.9 Ų155.979%0.79385%0.847SS**  trans53.2121.9131.600000120.8
90R52.8Low50.4Low240 Ų240148.5 Ų148.591%0.90684%0.838SS**  -166.8125.8115.1-153.2166176.5159.5-2.3111.4
91E53.2Low50.8Low176 Ų176142 Ų14282%0.82283%0.83SS**  trans-85.4178.6168.7-67-178.3148.800111
92E60.9Low51.4Low192 Ų192142.6 Ų142.690%0.89782%0.824SS**  trans87118.6175.9-51.7175.9-177.300113
93G47.8Very low51.8Low78 Ų78141.8 Ų141.880%0.80482%0.816SS**  cis135.3115.920.400000106
94S59.3Low52.3Low117 Ų117140.3 Ų140.382%0.81881%0.812SS**  trans-173.396.3165.5179.70000111.5
95D50.1Low53.1Low154 Ų154141.9 Ų141.982%0.82481%0.811SS**  trans-74.9132.4154.1-69.9-46.6000109.4
96K58Low53.5Low193 Ų193142.9 Ų142.984%0.83980%0.801SS**  trans179.5114.5142.3-99.2157-169.1-178.20112.7
97S55.6Low53.9Low105 Ų105139 Ų13973%0.73479%0.789SS**  trans41.1112.4130.9680000119.1
98S51.2Low54.2Low119 Ų119137.8 Ų137.883%0.83278%0.784SS**  166.597.4100.661.70000108.6
99V49.3Very low54.3Low155 Ų155135.6 Ų135.694%0.93977%0.77SS**  trans-90.2103.2169.7174.40000106.5
100A50.8Low55Low89 Ų89142 Ų14274%0.73677%0.774SS**  trans-177.2128153.800000110.9
101S53.7Low54.8Low110 Ų110136.3 Ų136.377%0.76976%0.762SS**SBendtrans106.215.9141.3-143.10000121.9
102N53Low55Low131 Ų131135.9 Ų135.970%0.70177%0.765SS**  trans-117.814.5173.9-63.35.5000114.8L104N102-L104 PolarHBondContact O-N 2.87Å
103T54.4Low54.6Low116 Ų116132.6 Ų132.671%0.71275%0.754SS**THydrogen-bonded Turntrans-85.2-5.2-170.2-43.60000114.6I107T103-I107 WeakPolarHBondContact O-CD1 3.46Å
104L56.6Low54.7Low141 Ų141131.8 Ų131.874%0.73875%0.745SS**THydrogen-bonded Turntrans-97.4-26.2-180-101.7162.9000114.7N102 I107N102-L104 PolarHBondContact O-N 2.87Å; L104-I107 PolarHBondContact O-N 2.8Å
105E58.9Low54.2Low164 Ų164132.3 Ų132.377%0.76675%0.747SS**G310 helixtrans-75.6-23.3176.9-81.6-176.5152.600113I107E105-I107 VanDerWaalsContact C-N 3.32Å; E105-I107 PolarHBondContact O-N 2.99Å
106N57.4Low54.1Low123 Ų123129.9 Ų129.966%0.65874%0.742SS**G310 helixtrans-84-2175.2-70-7.8000114T109N106-T109 PolarHBondContact O-OG1 2.79Å
107I57.1Low54Low120 Ų120127.4 Ų127.462%0.61574%0.738SS**G310 helixtrans-90-16.4177.1-73.8173.5000111.6T103 L104 E105T103-I107 WeakPolarHBondContact O-CD1 3.46Å; L104-I107 PolarHBondContact O-N 2.8Å; E105-I107 VanDerWaalsContact C-N 3.32Å; E105-I107 PolarHBondContact O-N 2.99Å
108L57.7Low54.1Low146 Ų146129.6 Ų129.676%0.76474%0.737SS**SBendtrans-113.82.2179.2-67.8174000113.9W110L108-W110 VanDerWaalsContact C-N 3.31Å; L108-W110 PolarHBondContact O-N 2.88Å
109T56Low54.5Low82 Ų82132.2 Ų132.250%0.50374%0.736SS.*SBendtrans-70.498157.649.90000106.5N106 D111N106-T109 PolarHBondContact O-OG1 2.79Å; T109-D111 VanDerWaalsContact C-N 3.27Å; T109-D111 PolarHBondContact O-N 3.06Å
110W60.6Low55.1Low232 Ų232130.9 Ų130.988%0.87972%0.723SS**  trans-51.2106.1157.1-79.211.8000105.6L108 D112L108-W110 VanDerWaalsContact C-N 3.31Å; L108-W110 PolarHBondContact O-N 2.88Å; W110-D112 PolarHBondContact O-N 3.19Å
111D50.1Low56Low120 Ų120130.8 Ų130.864%0.64271%0.71SS**  trans-53.1112.1163.4-95.4-20.6000105T109 N113T109-D111 VanDerWaalsContact C-N 3.27Å; T109-D111 PolarHBondContact O-N 3.06Å; D111-N113 HydrophobicContact CB-CB 3.9Å; D111-N113 PolarHBondContact O-N 3.11Å; D111-N113 PolarHBondContact OD2-ND2 3.32Å
112D57.1Low56.7Low166 Ų166130.5 Ų130.589%0.88871%0.705SS**  trans-61.534.7153.9-85.2-29.2000110W110 G114W110-D112 PolarHBondContact O-N 3.19Å; D112-G114 PolarHBondContact O-N 2.93Å
113N52.7Low57.5Low124 Ų124132.3 Ų132.366%0.66371%0.71SS**  trans-6689.7159.5-86.5-28.5000105.1D111 C115D111-N113 HydrophobicContact CB-CB 3.9Å; D111-N113 PolarHBondContact O-N 3.11Å; D111-N113 PolarHBondContact OD2-ND2 3.32Å; N113-C115 PolarHBondContact O-N 3.36Å; N113-C115 VanDerWaalsContact O-N 3.13Å
114G50Low58.4Low61 Ų61134.8 Ų134.863%0.62971%0.707SS**  trans-41121.8-176.600000110.5D112 S116D112-G114 PolarHBondContact O-N 2.93Å; G114-S116 PolarHBondContact O-N 3.43Å
115C47.9Very low59Low128 Ų128135 Ų13587%0.86571%0.705SS**  trans-57.272.7142.4-86.10000107.4N113 D117N113-C115 PolarHBondContact O-N 3.36Å; N113-C115 VanDerWaalsContact O-N 3.13Å; C115-D117 PolarHBondContact O-N 2.99Å
116S48.6Very low59.4Low102 Ų102130 Ų13071%0.71369%0.686SS**  trans-78.945.8162.783.60000108.5G114G114-S116 PolarHBondContact O-N 3.43Å
117D55.6Low60Low141 Ų141132.8 Ų132.875%0.75469%0.693SS**  trans-88.115.4162.5-137.621.6000109.8C115 E119C115-D117 PolarHBondContact O-N 2.99Å; D117-E119 PolarHBondContact O-N 3.3Å
118E57.3Low60.4Low152 Ų152133.6 Ų133.671%0.7169%0.693SS**  trans-6667.7141.4-66.1-160.6-174.800108.5L120E118-L120 HydrophobicContact CB-CG 4.48Å; E118-L120 PolarHBondContact O-N 3.04Å
119E59.8Low60.7Low173 Ų173131 Ų13181%0.80869%0.693SS**  trans-59.782.4138.5-80-166.9157.100104.9D117 D121D117-E119 PolarHBondContact O-N 3.3Å; E119-D121 VanDerWaalsContact C-N 3.25Å; E119-D121 PolarHBondContact O-N 3.49Å
120L61.8Low61Low127 Ų127132.4 Ų132.467%0.66569%0.693SS**  trans-51101.3165.6-94.3157.1000104.8E118 P122E118-L120 HydrophobicContact CB-CG 4.48Å; E118-L120 PolarHBondContact O-N 3.04Å; L120-P122 WeakPolarHBondContact O-CD 3.19Å
121D70.5Confident61.3Low87 Ų87129.5 Ų129.547%0.46569%0.688SS.*  trans-51.9111.4176.2177.20.1000106.2E119 E123 Y124E119-D121 VanDerWaalsContact C-N 3.25Å; E119-D121 PolarHBondContact O-N 3.49Å; D121-E123 PolarHBondContact O-N 3.45Å; D121-E123 WeakPolarHBondContact OD1-CB 3.42Å; D121-E123 PolarHBondContact OD1-N 3.48Å; D121-Y124 WeakPolarHBondContact O-CA 3.34Å; D121-Y124 WeakPolarHBondContact O-CB 3.48Å; D121-Y124 PolarHBondContact O-N 2.92Å
122P68.2Low62.6Low104 Ų104127.6 Ų127.668%0.67568%0.683SS**THydrogen-bonded Turntrans-64.7-12-177.125.9-32.4000111.6L120L120-P122 WeakPolarHBondContact O-CD 3.19Å
123E68.5Low63.9Low170 Ų170125.4 Ų125.479%0.79468%0.678SS**THydrogen-bonded Turntrans-88.8-13.5171.1-62.1-176.4170.900113.1D121 E125D121-E123 PolarHBondContact O-N 3.45Å; D121-E123 WeakPolarHBondContact OD1-CB 3.42Å; D121-E123 PolarHBondContact OD1-N 3.48Å; E123-E125 PolarHBondContact O-N 3.03Å
124Y74.1Confident65.6Low167 Ų167126 Ų12666%0.65567%0.671SS**  trans-78.868.4170.2-163.4-95.2000110.4D121 P126D121-Y124 WeakPolarHBondContact O-CA 3.34Å; D121-Y124 WeakPolarHBondContact O-CB 3.48Å; D121-Y124 PolarHBondContact O-N 2.92Å; Y124-P126 HydrophobicContact CE1-CB 4.2Å; Y124-P126 HydrophobicContact CE1-CG 4.19Å; Y124-P126 VanDerWaalsContact O-CD 3.25Å; Y124-P126 WeakPolarHBondContact O-CD 3.4Å
125E68.9Low67.5Low146 Ų146128.6 Ų128.668%0.68268%0.675SS**  trans-83.7107.9152-69.7-176.3173.200106.3E123 K127E123-E125 PolarHBondContact O-N 3.03Å; E125-K127 VanDerWaalsContact C-N 3.25Å; E125-K127 WeakPolarHBondContact O-CG 3.3Å; E125-K127 PolarHBondContact O-N 3.12Å
126P68.3Low69.6Low59 Ų59123.2 Ų123.238%0.38364%0.641SS.*  trans-60.298.1169.422.8-29.5000107.2Y124 H128 F131Y124-P126 HydrophobicContact CE1-CB 4.2Å; Y124-P126 HydrophobicContact CE1-CG 4.19Å; Y124-P126 VanDerWaalsContact O-CD 3.25Å; Y124-P126 WeakPolarHBondContact O-CD 3.4Å; P126-H128 PolarHBondContact O-N 2.89Å; P126-F131 HydrophobicContact CG-CE2 4.47Å; P126-F131 HydrophobicContact CG-CZ 3.98Å
127K70.1Confident71.8Confident182 Ų182124.3 Ų124.379%0.79164%0.643SS**SBendtrans-59.7-4.3-172.5-70.6-176.7178.8174.10113.9E125E125-K127 VanDerWaalsContact C-N 3.25Å; E125-K127 WeakPolarHBondContact O-CG 3.3Å; E125-K127 PolarHBondContact O-N 3.12Å
128H65.7Low73.6Confident136 Ų136124 Ų12463%0.6364%0.637SS**SBendtrans-130.9119.3179.5-56.7-55.4000110P126 H130P126-H128 PolarHBondContact O-N 2.89Å; H128-H130 PolarHBondContact O-N 2.92Å
129A63.7Low75.3Confident91 Ų91121.1 Ų121.175%0.75262%0.624SS**  trans-66.529.1177.700000114.5F131A129-F131 PolarHBondContact O-N 2.89Å
130H60.8Low77Confident112 Ų112118.1 Ų118.152%0.51961%0.61SS.*  trans-83.259.8176.9-58.7-59.5000110.5H128 S132 R134H128-H130 PolarHBondContact O-N 2.92Å; H130-S132 PolarHBondContact O-N 3.46Å; H130-R134 PolarHBondContact CD2-NH2 3.34Å
131F66.9Low78.6Confident172 Ų172116.4 Ų116.475%0.75461%0.614SS**  trans-75.5-5169.3-76.9-77.9000112.8P126 A129 P133P126-F131 HydrophobicContact CG-CE2 4.47Å; P126-F131 HydrophobicContact CG-CZ 3.98Å; A129-F131 PolarHBondContact O-N 2.89Å; F131-P133 WeakPolarHBondContact O-CD 3.5Å
132S78.1Confident79.6Confident79 Ų79119.1 Ų119.155%0.55263%0.628SS**SBendtrans-80.7124169.958.50000109.5H130 R134H130-S132 PolarHBondContact O-N 3.46Å; S132-R134 PolarHBondContact O-N 3.48Å
133P84.9Confident80.7Confident120 Ų120120.6 Ų120.678%0.77964%0.635SS**PPolyproline II helixtrans-48.1126.3166.9-24.232.6000109.3F131F131-P133 WeakPolarHBondContact O-CD 3.5Å
134R87.6Confident81.5Confident137 Ų137119.4 Ų119.452%0.51763%0.634SS.*PPolyproline II helixtrans-80126.4179.7-56-171.8178.9-150.4-1.1108.7H130 S132 H139H130-R134 PolarHBondContact CD2-NH2 3.34Å; S132-R134 PolarHBondContact O-N 3.48Å; R134-H139 HydrophobicContact CB-CB 4.21Å; R134-H139 WeakPolarHBondContact CB-CD2 3.41Å; R134-H139 WeakPolarHBondContact CD-NE2 3.44Å
135V89.7Confident82.1Confident116 Ų116119.3 Ų119.370%0.70364%0.644SS**  trans-108.4126.3176.5-179.40000107.6
136G92.7Very high82.6Confident15 Ų15121.8 Ų121.816%0.15565%0.648CS.*SBendtrans165.5154.6-176.800000110.8E138 H139 Q140G136-E138 WeakPolarHBondContact CA-OE2 3.32Å; G136-E138 PolarHBondContact O-N 3.31Å; G136-E138 VanDerWaalsContact O-N 3.17Å; G136-H139 CarbonylContact O-C 3.54Å; G136-H139 PolarHBondContact O-N 2.84Å; G136-Q140 WeakPolarHBondContact O-CB 3.39Å; G136-Q140 WeakPolarHBondContact O-CG 3.26Å; G136-Q140 PolarHBondContact O-N 3.48Å
137T94.7Very high83.1Confident124 Ų124122 Ų12276%0.76165%0.65SS**THydrogen-bonded Turntrans-61.5-20.2177.446.20000112.9H139T137-H139 VanDerWaalsContact C-N 3.3Å
138E94Very high83.4Confident135 Ų135120 Ų12063%0.63166%0.658SS**THydrogen-bonded Turntrans-80.8-9.317469.5-83.2-163.300113.7G136G136-E138 WeakPolarHBondContact CA-OE2 3.32Å; G136-E138 PolarHBondContact O-N 3.31Å; G136-E138 VanDerWaalsContact O-N 3.17Å
139H93.3Very high84.1Confident92 Ų92118.8 Ų118.843%0.42666%0.66SS.*THydrogen-bonded Turntrans-123.8-24.5-176-64.1-45.4000113.2R134 G136 T137R134-H139 HydrophobicContact CB-CB 4.21Å; R134-H139 WeakPolarHBondContact CB-CD2 3.41Å; R134-H139 WeakPolarHBondContact CD-NE2 3.44Å; G136-H139 CarbonylContact O-C 3.54Å; G136-H139 PolarHBondContact O-N 2.84Å; T137-H139 VanDerWaalsContact C-N 3.3Å
140Q95.1Very high84.9Confident110 Ų110123.3 Ų123.351%0.51466%0.662SS.*SBendtrans-97.2137.3178.3-65176.9-51.500109.5G136G136-Q140 WeakPolarHBondContact O-CB 3.39Å; G136-Q140 WeakPolarHBondContact O-CG 3.26Å; G136-Q140 PolarHBondContact O-N 3.48Å
141A94.2Very high85.9Confident91 Ų91122.8 Ų122.875%0.75267%0.669SS**PPolyproline II helixtrans-70.1143.3170.300000109.7V143A141-V143 PolarHBondContact O-N 3.43Å
142D92.6Very high86.8Confident144 Ų144123.9 Ų123.977%0.7768%0.676SS**PPolyproline II helixtrans-62.2131.5168.1-75.5-34.7000109D144D142-D144 PolarHBondContact O-N 3.4Å
143V90.3Very high87.2Confident134 Ų134127.3 Ų127.381%0.81268%0.678SS**  trans-79.9103.8175.5-178.80000107A141 L145A141-V143 PolarHBondContact O-N 3.43Å; V143-L145 PolarHBondContact O-N 3Å; V143-L145 VanDerWaalsContact O-N 3.1Å
144D86.9Confident87.5Confident145 Ų145125 Ų12578%0.77566%0.66SS**  trans-52.3120.7171.7-72.1-32.3000108.9D142 Y146D142-D144 PolarHBondContact O-N 3.4Å; D144-Y146 PolarHBondContact O-N 2.78Å
145L84.9Confident87.6Confident165 Ų165123 Ų12386%0.86467%0.665SS**  trans-61.7114.4172.2-68.5173.9000106.9V143 P147V143-L145 PolarHBondContact O-N 3Å; V143-L145 VanDerWaalsContact O-N 3.1Å; L145-P147 WeakPolarHBondContact O-CD 3.37Å
146Y79.9Confident87.7Confident198 Ų198122.6 Ų122.678%0.77666%0.662SS**  trans-53.2109.4-179.7-162.9-90.5000108.6D144 C148D144-Y146 PolarHBondContact O-N 2.78Å; Y146-C148 PolarHBondContact O-N 3.39Å
147P79Confident87.6Confident64 Ų64131 Ų13142%0.41669%0.691SS.*  trans-66.3127-178.627.4-32.5000107L145 T149L145-P147 WeakPolarHBondContact O-CD 3.37Å; P147-T149 WeakPolarHBondContact CB-O 3.49Å; P147-T149 CarbonylContact O-C 3.55Å; P147-T149 PolarHBondContact O-N 3.13Å
148C77.1Confident87.3Confident141 Ų141126.6 Ų126.695%0.95367%0.667SS**SBendtrans-56.8-16177-63.40000112.4Y146Y146-C148 PolarHBondContact O-N 3.39Å
149T79.2Confident87.1Confident110 Ų110125 Ų12568%0.67567%0.668SS**SBendtrans-111123.2170.748.90000109.6P147P147-T149 WeakPolarHBondContact CB-O 3.49Å; P147-T149 CarbonylContact O-C 3.55Å; P147-T149 PolarHBondContact O-N 3.13Å
150K80.2Confident86.8Confident185 Ų185125.7 Ų125.780%0.80468%0.681SS**  trans-48.8128.6170.6-71.6-178.2-179.91790108.4E152K150-E152 PolarHBondContact O-N 3.28Å
151P82.7Confident86.3Confident102 Ų102125.5 Ų125.566%0.66269%0.687SS**  trans-55.6140.5173.624.2-32000108.3Y153P151-Y153 PolarHBondContact O-N 3.46Å
152E86.5Confident85.8Confident194 Ų194126.9 Ų126.991%0.90768%0.681SS**  trans-59.4105.6173.1-170.3169.5-167.800107K150 D154K150-E152 PolarHBondContact O-N 3.28Å; E152-D154 PolarHBondContact O-N 2.81Å; E152-D154 VanDerWaalsContact O-N 3.08Å
153Y86Confident85.4Confident151 Ų151121.8 Ų121.859%0.59265%0.652SS**  trans-71.3107.2-179.9178.6-101.9000107.3P151 P155 A158P151-Y153 PolarHBondContact O-N 3.46Å; Y153-P155 WeakPolarHBondContact O-CD 3.25Å; Y153-A158 HydrophobicContact CE1-CB 3.77Å; Y153-A158 WeakPolarHBondContact OH-CA 3.37Å; Y153-A158 WeakPolarHBondContact OH-CB 3.48Å
154D90.4Very high85.1Confident72 Ų72118.5 Ų118.539%0.38563%0.63SS.*  trans-73.3111.3173.6179.8-10.4000108.4E152 T156 Y157E152-D154 PolarHBondContact O-N 2.81Å; E152-D154 VanDerWaalsContact O-N 3.08Å; D154-T156 PolarHBondContact O-N 3.48Å; D154-T156 VanDerWaalsContact OD1-CB 3.31Å; D154-T156 WeakPolarHBondContact OD1-CB 3.18Å; D154-T156 VanDerWaalsContact OD1-CG2 3.31Å; D154-T156 WeakPolarHBondContact OD1-CG2 3.42Å; D154-T156 PolarHBondContact OD1-N 2.94Å; D154-T156 PolarHBondContact OD1-OG1 2.83Å; D154-T156 PolarHBondContact OD2-OG1 3.5Å; D154-T156 VanDerWaalsContact OD2-OG1 3.06Å; D154-Y157 HydrophobicContact CB-CD2 3.82Å; D154-Y157 HydrophobicContact CB-CE2 4.15Å; D154-Y157 PolarHBondContact O-N 3.04Å; D154-Y157 VanDerWaalsContact O-N 3.11Å; D154-Y157 WeakPolarHBondContact OD2-CE2 3.44Å
155P89.8Confident84.7Confident96 Ų96117.2 Ų117.262%0.62362%0.618SS**G310 helixtrans-65-11.8-176.428.3-34.7000112.8Y153 Y157 A158Y153-P155 WeakPolarHBondContact O-CD 3.25Å; P155-Y157 PolarHBondContact O-N 3.3Å; P155-A158 WeakPolarHBondContact O-CB 3.37Å; P155-A158 PolarHBondContact O-N 3.12Å; P155-A158 VanDerWaalsContact O-N 3.09Å
156T92.4Very high84.1Confident107 Ų107113.8 Ų113.866%0.65660%0.603SS**G310 helixtrans-67.4-24.3174.263.20000113D154 A158D154-T156 PolarHBondContact O-N 3.48Å; D154-T156 VanDerWaalsContact OD1-CB 3.31Å; D154-T156 WeakPolarHBondContact OD1-CB 3.18Å; D154-T156 VanDerWaalsContact OD1-CG2 3.31Å; D154-T156 WeakPolarHBondContact OD1-CG2 3.42Å; D154-T156 PolarHBondContact OD1-N 2.94Å; D154-T156 PolarHBondContact OD1-OG1 2.83Å; D154-T156 PolarHBondContact OD2-OG1 3.5Å; D154-T156 VanDerWaalsContact OD2-OG1 3.06Å; T156-A158 VanDerWaalsContact C-N 3.34Å
157Y90.2Very high83.9Confident191 Ų191111.9 Ų111.975%0.74961%0.607SS**G310 helixtrans-92.41.2173.1-59.4-79.3000112.6D154 P155D154-Y157 HydrophobicContact CB-CD2 3.82Å; D154-Y157 HydrophobicContact CB-CE2 4.15Å; D154-Y157 PolarHBondContact O-N 3.04Å; D154-Y157 VanDerWaalsContact O-N 3.11Å; D154-Y157 WeakPolarHBondContact OD2-CE2 3.44Å; P155-Y157 PolarHBondContact O-N 3.3Å
158A88.5Confident83.8Confident32 Ų32111.1 Ų111.126%0.26460%0.599SS.*SBendtrans-67.3134.617400000110.1Y153 P155 T156Y153-A158 HydrophobicContact CE1-CB 3.77Å; Y153-A158 WeakPolarHBondContact OH-CA 3.37Å; Y153-A158 WeakPolarHBondContact OH-CB 3.48Å; P155-A158 WeakPolarHBondContact O-CB 3.37Å; P155-A158 PolarHBondContact O-N 3.12Å; P155-A158 VanDerWaalsContact O-N 3.09Å; T156-A158 VanDerWaalsContact C-N 3.34Å
159P89.3Confident84.4Confident100 Ų100109.3 Ų109.365%0.64958%0.58SS**PPolyproline II helixtrans-56.2136169.524.9-32000108.2V161P159-V161 PolarHBondContact O-N 3.33Å
160P87.3Confident84.9Confident108 Ų108106.3 Ų106.370%0.70157%0.566SS**PPolyproline II helixtrans-57.2130.2179.724.2-33.2000109L162P160-L162 HydrophobicContact CG-CD2 4.47Å; P160-L162 PolarHBondContact O-N 3.23Å
161V85.8Confident85.5Confident105 Ų105100.3 Ų100.364%0.63655%0.547SS*.  trans-70.4101.5174.3-179.50000107.2P159 F163 N164P159-V161 PolarHBondContact O-N 3.33Å; V161-F163 VanDerWaalsContact C-N 3.31Å; V161-N164 HydrophobicContact CG1-CB 4.14Å
162L83.8Confident86Confident121 Ų12197.3 Ų97.363%0.63453%0.525SS*.SBendtrans-68.6-33.2-178.9-61.7178.2000111.9P160P160-L162 HydrophobicContact CG-CD2 4.47Å; P160-L162 PolarHBondContact O-N 3.23Å
163F83.7Confident86.4Confident37 Ų3788.6 Ų88.616%0.16249%0.485CS..  trans-152.5129.2-179.2-166-93.6000110.7V161 F165 L200 W204V161-F163 VanDerWaalsContact C-N 3.31Å; F163-F165 HydrophobicContact CD1-CD1 4.37Å; F163-F165 AromaticContact CD1-CD2 3.83Å; F163-F165 HydrophobicContact CD1-CD2 3.83Å; F163-F165 HydrophobicContact CD1-CE1 4.16Å; F163-F165 AromaticContact CD1-CE2 3.59Å; F163-F165 HydrophobicContact CD1-CE2 3.59Å; F163-F165 HydrophobicContact CD1-CG 4.21Å; F163-F165 AromaticContact CD1-CZ 3.76Å; F163-F165 HydrophobicContact CD1-CZ 3.76Å; F163-F165 AromaticContact CE1-CD1 3.7Å; F163-F165 HydrophobicContact CE1-CD1 3.7Å; F163-F165 HydrophobicContact CE1-CD2 4.01Å; F163-F165 AromaticContact CE1-CE1 3.5Å; F163-F165 HydrophobicContact CE1-CE1 3.5Å; F163-F165 AromaticContact CE1-CE2 3.82Å; F163-F165 HydrophobicContact CE1-CE2 3.82Å; F163-F165 AromaticContact CE1-CG 3.95Å; F163-F165 HydrophobicContact CE1-CG 3.95Å; F163-F165 AromaticContact CE1-CZ 3.56Å; F163-F165 HydrophobicContact CE1-CZ 3.56Å; F163-F165 HydrophobicContact CZ-CE1 4.47Å; F163-L200 HydrophobicContact CD2-CB 4.03Å; F163-L200 WeakPolarHBondContact CD2-O 3.18Å; F163-L200 HydrophobicContact CE2-CB 4.02Å; F163-L200 HydrophobicContact CE2-CD2 4.17Å; F163-L200 WeakPolarHBondContact CE2-O 3.38Å; F163-L200 HydrophobicContact CZ-CD2 4.13Å; F163-W204 HydrophobicContact CD2-CB 3.85Å; F163-W204 HydrophobicContact CD2-CE3 4.33Å; F163-W204 HydrophobicContact CD2-CG 4.36Å; F163-W204 HydrophobicContact CE2-CB 4.13Å; F163-W204 HydrophobicContact CE2-CE3 4.45Å
164N82.7Confident86.8Confident64 Ų6486.4 Ų86.434%0.34248%0.478SS..  trans-114.2121.8175-166.8-2.2000111V161 V166 W204V161-N164 HydrophobicContact CG1-CB 4.14Å; N164-V166 VanDerWaalsContact C-N 3.3Å; N164-V166 VanDerWaalsContact OD1-CB 3.32Å; N164-V166 WeakPolarHBondContact OD1-CB 3.36Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.42Å; N164-V166 PolarHBondContact OD1-N 3.37Å; N164-W204 HydrophobicContact CB-CH2 3.39Å; N164-W204 HydrophobicContact CB-CZ2 4.11Å; N164-W204 HydrophobicContact CB-CZ3 3.68Å; N164-W204 VanDerWaalsContact O-CZ3 3.26Å; N164-W204 WeakPolarHBondContact O-CZ3 3.45Å
165F80.3Confident87Confident118 Ų11888 Ų8852%0.51849%0.487SS..  trans-80.5-9.8176.1-74.9-83.6000113.6F163 D167 N168F163-F165 HydrophobicContact CD1-CD1 4.37Å; F163-F165 AromaticContact CD1-CD2 3.83Å; F163-F165 HydrophobicContact CD1-CD2 3.83Å; F163-F165 HydrophobicContact CD1-CE1 4.16Å; F163-F165 AromaticContact CD1-CE2 3.59Å; F163-F165 HydrophobicContact CD1-CE2 3.59Å; F163-F165 HydrophobicContact CD1-CG 4.21Å; F163-F165 AromaticContact CD1-CZ 3.76Å; F163-F165 HydrophobicContact CD1-CZ 3.76Å; F163-F165 AromaticContact CE1-CD1 3.7Å; F163-F165 HydrophobicContact CE1-CD1 3.7Å; F163-F165 HydrophobicContact CE1-CD2 4.01Å; F163-F165 AromaticContact CE1-CE1 3.5Å; F163-F165 HydrophobicContact CE1-CE1 3.5Å; F163-F165 AromaticContact CE1-CE2 3.82Å; F163-F165 HydrophobicContact CE1-CE2 3.82Å; F163-F165 AromaticContact CE1-CG 3.95Å; F163-F165 HydrophobicContact CE1-CG 3.95Å; F163-F165 AromaticContact CE1-CZ 3.56Å; F163-F165 HydrophobicContact CE1-CZ 3.56Å; F163-F165 HydrophobicContact CZ-CE1 4.47Å; F165-D167 PolarHBondContact O-N 3.17Å; F165-D167 VanDerWaalsContact O-N 3.15Å; F165-N168 PolarHBondContact O-N 3.21Å
166V71.2Confident87.4Confident93 Ų9383.6 Ų83.656%0.56446%0.458SS*.THydrogen-bonded Turntrans-61.2121.9-175.6177.30000108.6N164N164-V166 VanDerWaalsContact C-N 3.3Å; N164-V166 VanDerWaalsContact OD1-CB 3.32Å; N164-V166 WeakPolarHBondContact OD1-CB 3.36Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.42Å; N164-V166 PolarHBondContact OD1-N 3.37Å
167D76.6Confident87.6Confident158 Ų15879.8 Ų79.885%0.84543%0.434SS*.THydrogen-bonded Turntrans81.4-4.8179-50.3-36000118.3F165F165-D167 PolarHBondContact O-N 3.17Å; F165-D167 VanDerWaalsContact O-N 3.15Å
168N76.7Confident87.9Confident49 Ų4973.6 Ų73.626%0.26242%0.421SS..  trans-90.1133.8178-70.2-49.4000112.5F165 A170 M172 C208F165-N168 PolarHBondContact O-N 3.21Å; N168-A170 PolarHBondContact O-N 3.41Å; N168-M172 HydrophobicContact CB-CE 4.29Å; N168-C208 PolarHBondContact ND2-SG 3.26Å
169D88.3Confident88.3Confident102 Ų10274.7 Ų74.755%0.54543%0.427SS..  trans-64118.6170.2-173.6-6.1000108.8C171 M172D169-C171 PolarHBondContact O-N 3.29Å; D169-C171 VanDerWaalsContact O-N 3.11Å; D169-C171 WeakPolarHBondContact OD1-CB 3.38Å; D169-C171 PolarHBondContact OD1-N 2.94Å; D169-C171 PolarHBondContact OD1-SG 3Å; D169-M172 HydrophobicContact CB-CB 4.41Å; D169-M172 WeakPolarHBondContact O-CB 3.35Å; D169-M172 PolarHBondContact O-N 3.14Å
170A90.9Very high88.7Confident47 Ų4770 Ų7039%0.38840%0.396SS..Hα-helixtrans-54.5-32177.100000111.6N168 M172 V173 F174N168-A170 PolarHBondContact O-N 3.41Å; A170-M172 VanDerWaalsContact C-N 3.32Å; A170-M172 PolarHBondContact O-N 3.48Å; A170-V173 PolarHBondContact O-N 2.93Å; A170-F174 HydrophobicContact CB-CE2 4.24Å; A170-F174 WeakPolarHBondContact O-CD2 3.28Å; A170-F174 PolarHBondContact O-N 3.43Å; A170-F174 VanDerWaalsContact O-N 3.15Å
171C91.9Very high89Confident59 Ų5965.8 Ų65.840%0.39937%0.37SS..Hα-helixtrans-61.4-40.1176.9-52.50000111.7D169 V173 F174 D175D169-C171 PolarHBondContact O-N 3.29Å; D169-C171 VanDerWaalsContact O-N 3.11Å; D169-C171 WeakPolarHBondContact OD1-CB 3.38Å; D169-C171 PolarHBondContact OD1-N 2.94Å; D169-C171 PolarHBondContact OD1-SG 3Å; C171-V173 VanDerWaalsContact C-N 3.32Å; C171-V173 PolarHBondContact O-N 2.92Å; C171-F174 PolarHBondContact O-N 3.22Å; C171-D175 WeakPolarHBondContact O-CB 3.48Å; C171-D175 VanDerWaalsContact O-CG 3.3Å; C171-D175 PolarHBondContact O-N 3.1Å
172M93.9Very high89.5Confident39 Ų3966.4 Ų66.419%0.19236%0.364CS..Hα-helixtrans-60.9-41.8177.6178.3-79.8-68.700111.5N168 D169 A170 D175 Y176 L203 C208 P210N168-M172 HydrophobicContact CB-CE 4.29Å; D169-M172 HydrophobicContact CB-CB 4.41Å; D169-M172 WeakPolarHBondContact O-CB 3.35Å; D169-M172 PolarHBondContact O-N 3.14Å; A170-M172 VanDerWaalsContact C-N 3.32Å; A170-M172 PolarHBondContact O-N 3.48Å; M172-D175 PolarHBondContact O-N 3.28Å; M172-Y176 VanDerWaalsContact O-CB 3.25Å; M172-Y176 WeakPolarHBondContact O-CB 3.48Å; M172-Y176 PolarHBondContact O-N 3.34Å; M172-L203 HydrophobicContact CE-CD2 4.4Å; M172-L203 HydrophobicContact SD-CD1 4.33Å; M172-L203 HydrophobicContact SD-CD2 4.22Å; M172-C208 HydrophobicContact CE-CB 3.89Å; M172-P210 HydrophobicContact CG-CG 4.32Å; M172-P210 HydrophobicContact SD-CB 4.4Å; M172-P210 HydrophobicContact SD-CG 4.27Å
173V94.3Very high90.1Very high11 Ų1162 Ų627%0.06734%0.34CS..Hα-helixtrans-64.4-42.2178-179.50000110.8A170 C171 Y176 L177 L200 L203A170-V173 PolarHBondContact O-N 2.93Å; C171-V173 VanDerWaalsContact C-N 3.32Å; C171-V173 PolarHBondContact O-N 2.92Å; V173-Y176 PolarHBondContact O-N 2.71Å; V173-L177 HydrophobicContact CG1-CD1 4.21Å; V173-L177 VanDerWaalsContact O-CG 3.31Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-L177 PolarHBondContact O-N 3.15Å; V173-L200 HydrophobicContact CG1-CD2 3.66Å; V173-L203 HydrophobicContact CG2-CD2 4.38Å
174F94.4Very high90.5Very high106 Ų10660.4 Ų60.447%0.46533%0.334SS..Hα-helixtrans-65.8-43.6176.2-69-61.3000112.4I13 A170 C171 Y176 L177 A178I13-F174 HydrophobicContact CD1-CE2 3.97Å; I13-F174 HydrophobicContact CD1-CZ 3.75Å; I13-F174 HydrophobicContact CG2-CE2 4.49Å; A170-F174 HydrophobicContact CB-CE2 4.24Å; A170-F174 WeakPolarHBondContact O-CD2 3.28Å; A170-F174 PolarHBondContact O-N 3.43Å; A170-F174 VanDerWaalsContact O-N 3.15Å; C171-F174 PolarHBondContact O-N 3.22Å; F174-Y176 VanDerWaalsContact C-N 3.31Å; F174-Y176 PolarHBondContact O-N 2.78Å; F174-L177 PolarHBondContact O-N 2.95Å; F174-A178 WeakPolarHBondContact O-CB 3.22Å; F174-A178 PolarHBondContact O-N 3.04Å
175D96.2Very high91Very high106 Ų10662.9 Ų62.957%0.56734%0.343SS*.Hα-helixtrans-63.9-37.8177.3-70.5-20.8000111.5C171 M172 S179C171-D175 WeakPolarHBondContact O-CB 3.48Å; C171-D175 VanDerWaalsContact O-CG 3.3Å; C171-D175 PolarHBondContact O-N 3.1Å; M172-D175 PolarHBondContact O-N 3.28Å; D175-S179 VanDerWaalsContact O-CB 3.32Å; D175-S179 WeakPolarHBondContact O-CB 3.22Å; D175-S179 PolarHBondContact O-N 3.45Å; D175-S179 PolarHBondContact O-OG 3.48Å
176Y96.7Very high91.6Very high2 Ų263.8 Ų63.81%0.00835%0.349CS..Hα-helixtrans-62.8-50172.8168.6-105.5000111.9M172 V173 F174 A178 S179 Y180 A199 L203 P210 A213 L214 L217M172-Y176 VanDerWaalsContact O-CB 3.25Å; M172-Y176 WeakPolarHBondContact O-CB 3.48Å; M172-Y176 PolarHBondContact O-N 3.34Å; V173-Y176 PolarHBondContact O-N 2.71Å; F174-Y176 VanDerWaalsContact C-N 3.31Å; F174-Y176 PolarHBondContact O-N 2.78Å; Y176-A178 VanDerWaalsContact C-N 3.32Å; Y176-A178 PolarHBondContact O-N 3.37Å; Y176-S179 WeakPolarHBondContact O-CB 3.46Å; Y176-S179 PolarHBondContact O-N 2.94Å; Y176-Y180 WeakPolarHBondContact O-CB 3.45Å; Y176-Y180 PolarHBondContact O-N 3.23Å; Y176-A199 HydrophobicContact CE1-CB 3.92Å; Y176-A199 VanDerWaalsContact CE1-O 3.25Å; Y176-A199 WeakPolarHBondContact CE1-O 2.76Å; Y176-A199 PolarHBondContact OH-O 2.81Å; Y176-L203 HydrophobicContact CD1-CB 4.31Å; Y176-L203 HydrophobicContact CD1-CD1 4.34Å; Y176-L203 HydrophobicContact CD1-CD2 3.71Å; Y176-L203 HydrophobicContact CD1-CG 4.34Å; Y176-L203 HydrophobicContact CD2-CD1 4.1Å; Y176-L203 HydrophobicContact CE1-CB 3.73Å; Y176-L203 HydrophobicContact CE1-CD1 4.39Å; Y176-L203 HydrophobicContact CE1-CD2 4Å; Y176-L203 HydrophobicContact CE1-CG 4.25Å; Y176-L203 HydrophobicContact CE2-CD1 4.16Å; Y176-L203 HydrophobicContact CG-CD1 4.16Å; Y176-L203 HydrophobicContact CG-CD2 4.15Å; Y176-P210 HydrophobicContact CD2-CB 3.65Å; Y176-P210 HydrophobicContact CG-CB 4.22Å; Y176-A213 HydrophobicContact CE2-CB 3.68Å; Y176-L214 HydrophobicContact CD2-CD1 4.33Å; Y176-L214 HydrophobicContact CD2-CD2 4.06Å; Y176-L214 HydrophobicContact CD2-CG 3.87Å; Y176-L214 HydrophobicContact CE2-CD2 3.79Å; Y176-L214 HydrophobicContact CE2-CG 3.71Å; Y176-L217 WeakPolarHBondContact OH-CD1 3.47Å
177L96.9Very high92.6Very high28 Ų2860.4 Ų60.415%0.14733%0.326CS..Hα-helixtrans-65.1-36.1179.2-70.1176000112.1V173 F174 Y180 S181 V196 A199 L200V173-L177 HydrophobicContact CG1-CD1 4.21Å; V173-L177 VanDerWaalsContact O-CG 3.31Å; V173-L177 WeakPolarHBondContact O-CG 3.39Å; V173-L177 PolarHBondContact O-N 3.15Å; F174-L177 PolarHBondContact O-N 2.95Å; L177-Y180 PolarHBondContact O-N 2.92Å; L177-S181 WeakPolarHBondContact O-CB 3.49Å; L177-S181 PolarHBondContact O-N 3.1Å; L177-V196 HydrophobicContact CD1-CG1 4.23Å; L177-V196 HydrophobicContact CD2-CG1 4.2Å; L177-A199 HydrophobicContact CD2-CB 3.9Å; L177-L200 HydrophobicContact CD1-CD2 4.45Å; L177-L200 HydrophobicContact CD2-CD2 4.34Å
178A96.5Very high93.2Very high60 Ų6060.4 Ų60.450%0.49632%0.319SS..Hα-helixtrans-65-42.4172.800000111.6F174 Y176 S181 K182F174-A178 WeakPolarHBondContact O-CB 3.22Å; F174-A178 PolarHBondContact O-N 3.04Å; Y176-A178 VanDerWaalsContact C-N 3.32Å; Y176-A178 PolarHBondContact O-N 3.37Å; A178-S181 PolarHBondContact O-N 3.04Å; A178-K182 WeakPolarHBondContact O-CB 3.17Å; A178-K182 PolarHBondContact O-N 3.35Å
179S97.5Very high93.5Very high55 Ų5560.1 Ų60.139%0.38532%0.317SS..Hα-helixtrans-65.2-39.7175.6-60.30000112D175 Y176 K182 M183D175-S179 VanDerWaalsContact O-CB 3.32Å; D175-S179 WeakPolarHBondContact O-CB 3.22Å; D175-S179 PolarHBondContact O-N 3.45Å; D175-S179 PolarHBondContact O-OG 3.48Å; Y176-S179 WeakPolarHBondContact O-CB 3.46Å; Y176-S179 PolarHBondContact O-N 2.94Å; S179-K182 PolarHBondContact O-N 2.9Å; S179-M183 WeakPolarHBondContact O-CB 3.36Å; S179-M183 PolarHBondContact O-N 3.24Å
180Y96.6Very high93.4Very high1 Ų158.9 Ų58.90%0.00431%0.314CS..Hα-helixtrans-64.9-45.1174.5178.8-132.3000111.6Y176 L177 K182 M183 L184 L194 A199 L214 L217 M221Y176-Y180 WeakPolarHBondContact O-CB 3.45Å; Y176-Y180 PolarHBondContact O-N 3.23Å; L177-Y180 PolarHBondContact O-N 2.92Å; Y180-K182 PolarHBondContact O-N 3.12Å; Y180-M183 HydrophobicContact CD2-CE 3.51Å; Y180-M183 HydrophobicContact CE2-CE 3.64Å; Y180-M183 WeakPolarHBondContact O-CB 3.47Å; Y180-M183 PolarHBondContact O-N 2.9Å; Y180-L184 HydrophobicContact CD1-CD1 4.35Å; Y180-L184 HydrophobicContact CD2-CD1 4.48Å; Y180-L184 HydrophobicContact CD2-CG 4.43Å; Y180-L184 HydrophobicContact CE1-CD1 3.96Å; Y180-L184 HydrophobicContact CE2-CD1 4.1Å; Y180-L184 HydrophobicContact CE2-CD2 4.17Å; Y180-L184 HydrophobicContact CE2-CG 4.06Å; Y180-L184 WeakPolarHBondContact O-CG 3.36Å; Y180-L184 PolarHBondContact O-N 3.4Å; Y180-L194 HydrophobicContact CD1-CD1 3.23Å; Y180-L194 HydrophobicContact CD1-CG 4.26Å; Y180-L194 HydrophobicContact CE1-CD1 3.5Å; Y180-L194 VanDerWaalsContact CE1-CD1 3.5Å; Y180-L194 HydrophobicContact CE1-CG 4.33Å; Y180-L194 HydrophobicContact CG-CD1 4.11Å; Y180-A199 HydrophobicContact CD1-CB 3.43Å; Y180-A199 VanDerWaalsContact CD1-CB 3.43Å; Y180-A199 HydrophobicContact CE1-CB 3.54Å; Y180-A199 HydrophobicContact CG-CB 4.25Å; Y180-L214 HydrophobicContact CD2-CD2 4.4Å; Y180-L217 HydrophobicContact CD2-CD1 3.77Å; Y180-L217 HydrophobicContact CE2-CB 4.19Å; Y180-L217 HydrophobicContact CE2-CD1 3.78Å; Y180-L217 HydrophobicContact CE2-CD2 4.46Å; Y180-L217 HydrophobicContact CE2-CG 4.38Å; Y180-L217 HydrophobicContact CG-CD1 4.29Å; Y180-M221 HydrophobicContact CE2-SD 3.98Å
181S95.2Very high93.1Very high20 Ų2057 Ų5714%0.1430%0.298CS..Hα-helixtrans-59.9-44.7174.7-177.50000112L177 A178 M183 L184 Q185L177-S181 WeakPolarHBondContact O-CB 3.49Å; L177-S181 PolarHBondContact O-N 3.1Å; A178-S181 PolarHBondContact O-N 3.04Å; S181-M183 PolarHBondContact O-N 3.46Å; S181-L184 WeakPolarHBondContact O-CB 3.34Å; S181-L184 PolarHBondContact O-N 3.37Å; S181-Q185 WeakPolarHBondContact O-CG 3.4Å; S181-Q185 PolarHBondContact O-N 3.49Å; S181-Q185 VanDerWaalsContact O-N 3.12Å
182K96.2Very high92.4Very high118 Ų11857.7 Ų57.751%0.51330%0.302SS..Hα-helixtrans-60.5-44.1175-178.1176.3172.4-178.80111.7A178 S179 Y180 L184 Q185 E186A178-K182 WeakPolarHBondContact O-CB 3.17Å; A178-K182 PolarHBondContact O-N 3.35Å; S179-K182 PolarHBondContact O-N 2.9Å; Y180-K182 PolarHBondContact O-N 3.12Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.28Å; K182-Q185 PolarHBondContact O-N 3.01Å; K182-Q185 VanDerWaalsContact O-N 3.1Å; K182-E186 WeakPolarHBondContact CE-OE1 3.36Å; K182-E186 HydrophobicContact CG-CG 4.19Å; K182-E186 IonicContact NZ-OE1 3.69Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 3.22Å
183M95Very high91.8Very high28 Ų2857.2 Ų57.214%0.13830%0.302CS..Hα-helixtrans-59.2-38176-175.6-174.382.400112.5S179 Y180 S181 L217 K218 M221S179-M183 WeakPolarHBondContact O-CB 3.36Å; S179-M183 PolarHBondContact O-N 3.24Å; Y180-M183 HydrophobicContact CD2-CE 3.51Å; Y180-M183 HydrophobicContact CE2-CE 3.64Å; Y180-M183 WeakPolarHBondContact O-CB 3.47Å; Y180-M183 PolarHBondContact O-N 2.9Å; S181-M183 PolarHBondContact O-N 3.46Å; M183-L217 HydrophobicContact CE-CB 3.96Å; M183-K218 HydrophobicContact CE-CB 4.34Å; M183-K218 HydrophobicContact SD-CB 3.67Å; M183-K218 HydrophobicContact SD-CG 4.17Å; M183-M221 HydrophobicContact CE-CE 4.12Å; M183-M221 HydrophobicContact CE-SD 3.54Å; M183-M221 VanDerWaalsContact CE-SD 3.54Å
184L92.8Very high91.3Very high5 Ų559.2 Ų59.23%0.02631%0.312CS..Hα-helixtrans-67.7-34.7175.3-68.4166000112.6Y180 S181 K182 P190 I191 L194 M221Y180-L184 HydrophobicContact CD1-CD1 4.35Å; Y180-L184 HydrophobicContact CD2-CD1 4.48Å; Y180-L184 HydrophobicContact CD2-CG 4.43Å; Y180-L184 HydrophobicContact CE1-CD1 3.96Å; Y180-L184 HydrophobicContact CE2-CD1 4.1Å; Y180-L184 HydrophobicContact CE2-CD2 4.17Å; Y180-L184 HydrophobicContact CE2-CG 4.06Å; Y180-L184 WeakPolarHBondContact O-CG 3.36Å; Y180-L184 PolarHBondContact O-N 3.4Å; S181-L184 WeakPolarHBondContact O-CB 3.34Å; S181-L184 PolarHBondContact O-N 3.37Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.28Å; L184-P190 WeakPolarHBondContact O-CA 3.4Å; L184-I191 HydrophobicContact CB-CB 4.43Å; L184-I191 HydrophobicContact CD2-CB 3.8Å; L184-I191 HydrophobicContact CD2-CD1 3.87Å; L184-I191 HydrophobicContact CD2-CG1 4.16Å; L184-I191 HydrophobicContact CD2-CG2 4.24Å; L184-I191 PolarHBondContact O-N 3.48Å; L184-L194 HydrophobicContact CD1-CD1 3.59Å; L184-M221 HydrophobicContact CD2-CE 3.33Å; L184-M221 HydrophobicContact CD2-SD 3.58Å; L184-M221 VanDerWaalsContact CD2-SD 3.58Å; L184-M221 HydrophobicContact CG-CE 4.35Å
185Q92.5Very high91Very high116 Ų11655.3 Ų55.354%0.54230%0.296SS..Hα-helixtrans-79.5-33.2-178.9-70.1176.31.900113.5S181 K182 R187S181-Q185 WeakPolarHBondContact O-CG 3.4Å; S181-Q185 PolarHBondContact O-N 3.49Å; S181-Q185 VanDerWaalsContact O-N 3.12Å; K182-Q185 PolarHBondContact O-N 3.01Å; K182-Q185 VanDerWaalsContact O-N 3.1Å; Q185-R187 PolarHBondContact O-N 3.25Å
186E93.9Very high90.8Very high137 Ų13753 Ų5364%0.6429%0.285SS*.SBendtrans-75.9-9.4-178-73.9-178.7159.800113.9K182K182-E186 WeakPolarHBondContact CE-OE1 3.36Å; K182-E186 HydrophobicContact CG-CG 4.19Å; K182-E186 IonicContact NZ-OE1 3.69Å; K182-E186 WeakPolarHBondContact O-CG 3.42Å; K182-E186 PolarHBondContact O-N 3.22Å
187R91.1Very high90.5Very high22 Ų2256.7 Ų56.78%0.08331%0.312CS..SBendtrans-63.2150.6173.3-66.8-178.980.486.51.1110.8Q185 N189 M221 D222 Y225Q185-R187 PolarHBondContact O-N 3.25Å; R187-N189 PolarHBondContact O-N 2.83Å; R187-N189 VanDerWaalsContact O-N 3.16Å; R187-M221 VanDerWaalsContact CD-CE 3.44Å; R187-D222 IonicContact CZ-OD1 2.71Å; R187-D222 VanDerWaalsContact CZ-OD1 3.23Å; R187-D222 IonicContact NH1-OD1 3.39Å; R187-D222 PolarHBondContact NH1-OD1 2.78Å; R187-D222 IonicContact NH2-OD1 3.96Å; R187-D222 PolarHBondContact NH2-OD1 2.76Å; R187-Y225 PolarHBondContact NH2-O 3.25Å
188K89.3Confident90.3Very high157 Ų15758.6 Ų58.668%0.68332%0.317SS*.SBendtrans-53.3-36.5171.8-173.4-177.1175.1-167.30112.6
189N84.3Confident90.2Very high44 Ų4455.7 Ų55.724%0.23529%0.293CS..SBendtrans-116.395.1173.2-62.8-33.4000108.6R187 V229R187-N189 PolarHBondContact O-N 2.83Å; R187-N189 VanDerWaalsContact O-N 3.16Å; N189-V229 PolarHBondContact ND2-O 2.75Å
190P85.1Confident90Very high75 Ų7554.6 Ų54.649%0.48728%0.283SS..  trans-60136.4-176.7-25.934.8000112.5L184 L236L184-P190 WeakPolarHBondContact O-CA 3.4Å; P190-L236 WeakPolarHBondContact O-CD1 3.41Å
191I84.7Confident89.8Confident8 Ų857.1 Ų57.14%0.04130%0.296CS..  trans-90.6118.4174.7-53.8-170.6000108.3L184 C193 M221 L236L184-I191 HydrophobicContact CB-CB 4.43Å; L184-I191 HydrophobicContact CD2-CB 3.8Å; L184-I191 HydrophobicContact CD2-CD1 3.87Å; L184-I191 HydrophobicContact CD2-CG1 4.16Å; L184-I191 HydrophobicContact CD2-CG2 4.24Å; L184-I191 PolarHBondContact O-N 3.48Å; I191-C193 VanDerWaalsContact C-N 3.31Å; I191-C193 PolarHBondContact O-N 3.33Å; I191-M221 HydrophobicContact CD1-CE 3.83Å; I191-L236 HydrophobicContact CG1-CD2 4.29Å
192P76.8Confident89.8Confident73 Ų7356.2 Ų56.247%0.47429%0.29SS..  trans-78.3-12.2-169.731.1-34.6000113.9D233 L236 R237P192-D233 WeakPolarHBondContact CG-OD1 3.33Å; P192-L236 HydrophobicContact CG-CB 4.21Å; P192-R237 HydrophobicContact CG-CG 4.2Å
193C81.4Confident89.8Confident29 Ų2950.6 Ų50.620%0.19627%0.265CS..  trans-116126.2-178.561.20000111.6I191 D195 L236I191-C193 VanDerWaalsContact C-N 3.31Å; I191-C193 PolarHBondContact O-N 3.33Å; C193-D195 PolarHBondContact O-N 3.36Å; C193-L236 PolarHBondContact SG-O 2.93Å
194L83.9Confident89.7Confident53 Ų5353.8 Ų53.828%0.27728%0.276SS..  trans-81.1111.3169.9-172.470.5000108.8Y180 L184 V196Y180-L194 HydrophobicContact CD1-CD1 3.23Å; Y180-L194 HydrophobicContact CD1-CG 4.26Å; Y180-L194 HydrophobicContact CE1-CD1 3.5Å; Y180-L194 VanDerWaalsContact CE1-CD1 3.5Å; Y180-L194 HydrophobicContact CE1-CG 4.33Å; Y180-L194 HydrophobicContact CG-CD1 4.11Å; L184-L194 HydrophobicContact CD1-CD1 3.59Å; L194-V196 VanDerWaalsContact C-N 3.32Å; L194-V196 HydrophobicContact CB-CG2 4.42Å; L194-V196 HydrophobicContact CD2-CG2 3.61Å; L194-V196 HydrophobicContact CG-CG2 3.79Å; L194-V196 PolarHBondContact O-N 2.89Å; L194-V196 VanDerWaalsContact O-N 3.07Å
195D88.6Confident89.8Confident24 Ų2459 Ų5913%0.12830%0.3CS..  trans-8084.6168.4-168.5-13.9000109.7C193 S197 R198 A199 P240C193-D195 PolarHBondContact O-N 3.36Å; D195-S197 VanDerWaalsContact C-N 3.29Å; D195-S197 PolarHBondContact O-N 3.45Å; D195-S197 PolarHBondContact OD1-N 3.34Å; D195-R198 HydrophobicContact CB-CB 3.99Å; D195-R198 PolarHBondContact O-N 3.19Å; D195-R198 PolarHBondContact OD1-N 3.47Å; D195-R198 VanDerWaalsContact OD2-CB 3.22Å; D195-R198 WeakPolarHBondContact OD2-CB 3.48Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.93Å; D195-P240 HydrophobicContact CB-CB 4.09Å; D195-P240 HydrophobicContact CB-CG 3.99Å; D195-P240 VanDerWaalsContact OD2-CA 3.29Å; D195-P240 WeakPolarHBondContact OD2-CA 3.29Å; D195-P240 WeakPolarHBondContact OD2-CB 3.38Å
196V92.1Very high89.9Confident57 Ų5756.3 Ų56.335%0.34529%0.287SS..Hα-helixtrans-62.3-40-179179.80000110.7L177 L194 A199 L200L177-V196 HydrophobicContact CD1-CG1 4.23Å; L177-V196 HydrophobicContact CD2-CG1 4.2Å; L194-V196 VanDerWaalsContact C-N 3.32Å; L194-V196 HydrophobicContact CB-CG2 4.42Å; L194-V196 HydrophobicContact CD2-CG2 3.61Å; L194-V196 HydrophobicContact CG-CG2 3.79Å; L194-V196 PolarHBondContact O-N 2.89Å; L194-V196 VanDerWaalsContact O-N 3.07Å; V196-A199 PolarHBondContact O-N 2.93Å; V196-L200 HydrophobicContact CG1-CD1 3.84Å; V196-L200 HydrophobicContact CG1-CG 4.17Å; V196-L200 WeakPolarHBondContact O-CB 3.27Å; V196-L200 VanDerWaalsContact O-CG 3.28Å; V196-L200 WeakPolarHBondContact O-CG 3.29Å; V196-L200 PolarHBondContact O-N 2.88Å
197S90.8Very high89.9Confident81 Ų8155.6 Ų55.657%0.56629%0.287SS*.Hα-helixtrans-62-50.9-179.7-58.90000110.8D195 A199 L200 D201D195-S197 VanDerWaalsContact C-N 3.29Å; D195-S197 PolarHBondContact O-N 3.45Å; D195-S197 PolarHBondContact OD1-N 3.34Å; S197-A199 VanDerWaalsContact C-N 3.31Å; S197-A199 PolarHBondContact O-N 3.27Å; S197-L200 PolarHBondContact O-N 3.41Å; S197-D201 WeakPolarHBondContact O-CB 3.37Å; S197-D201 VanDerWaalsContact O-CG 3.24Å; S197-D201 PolarHBondContact O-N 2.91Å
198R91.8Very high90Very high67 Ų6755.3 Ų55.325%0.25329%0.289SS..Hα-helixtrans-60.6-41.1176.3-179.361.4178.4164.86.2112D195 L200 D201 V202 L217 E220D195-R198 HydrophobicContact CB-CB 3.99Å; D195-R198 PolarHBondContact O-N 3.19Å; D195-R198 PolarHBondContact OD1-N 3.47Å; D195-R198 VanDerWaalsContact OD2-CB 3.22Å; D195-R198 WeakPolarHBondContact OD2-CB 3.48Å; R198-L200 PolarHBondContact O-N 3Å; R198-D201 PolarHBondContact O-N 3.43Å; R198-V202 HydrophobicContact CG-CG2 4.47Å; R198-V202 WeakPolarHBondContact O-CG2 3.34Å; R198-V202 PolarHBondContact O-N 3.34Å; R198-L217 HydrophobicContact CG-CD2 4.13Å; R198-E220 IonicContact CZ-OE1 3.32Å; R198-E220 IonicContact CZ-OE2 3.23Å; R198-E220 IonicContact NE-OE1 2.93Å; R198-E220 PolarHBondContact NE-OE1 3.07Å; R198-E220 IonicContact NE-OE2 3.66Å; R198-E220 PolarHBondContact NE-OE2 2.92Å; R198-E220 VanDerWaalsContact NH2-CD 3.32Å; R198-E220 IonicContact NH2-OE1 3.27Å; R198-E220 PolarHBondContact NH2-OE1 3.44Å; R198-E220 IonicContact NH2-OE2 3.33Å; R198-E220 PolarHBondContact NH2-OE2 2.97Å
199A94.5Very high90.3Very high0 Ų052.7 Ų52.70%028%0.277CS..Hα-helixtrans-61.5-44.8178.600000111.9Y176 L177 Y180 D195 V196 S197 L203 L217Y176-A199 HydrophobicContact CE1-CB 3.92Å; Y176-A199 VanDerWaalsContact CE1-O 3.25Å; Y176-A199 WeakPolarHBondContact CE1-O 2.76Å; Y176-A199 PolarHBondContact OH-O 2.81Å; L177-A199 HydrophobicContact CD2-CB 3.9Å; Y180-A199 HydrophobicContact CD1-CB 3.43Å; Y180-A199 VanDerWaalsContact CD1-CB 3.43Å; Y180-A199 HydrophobicContact CE1-CB 3.54Å; Y180-A199 HydrophobicContact CG-CB 4.25Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.93Å; V196-A199 PolarHBondContact O-N 2.93Å; S197-A199 VanDerWaalsContact C-N 3.31Å; S197-A199 PolarHBondContact O-N 3.27Å; A199-L203 WeakPolarHBondContact O-CB 3.3Å; A199-L203 PolarHBondContact O-N 2.89Å; A199-L217 HydrophobicContact CB-CD1 4.34Å
200L94.4Very high90.8Very high31 Ų3152.5 Ų52.516%0.16228%0.279CS..Hα-helixtrans-69.3-39178.4-67.7177.8000111.9F163 V173 L177 V196 S197 R198 V202 L203 W204F163-L200 HydrophobicContact CD2-CB 4.03Å; F163-L200 WeakPolarHBondContact CD2-O 3.18Å; F163-L200 HydrophobicContact CE2-CB 4.02Å; F163-L200 HydrophobicContact CE2-CD2 4.17Å; F163-L200 WeakPolarHBondContact CE2-O 3.38Å; F163-L200 HydrophobicContact CZ-CD2 4.13Å; V173-L200 HydrophobicContact CG1-CD2 3.66Å; L177-L200 HydrophobicContact CD1-CD2 4.45Å; L177-L200 HydrophobicContact CD2-CD2 4.34Å; V196-L200 HydrophobicContact CG1-CD1 3.84Å; V196-L200 HydrophobicContact CG1-CG 4.17Å; V196-L200 WeakPolarHBondContact O-CB 3.27Å; V196-L200 VanDerWaalsContact O-CG 3.28Å; V196-L200 WeakPolarHBondContact O-CG 3.29Å; V196-L200 PolarHBondContact O-N 2.88Å; S197-L200 PolarHBondContact O-N 3.41Å; R198-L200 PolarHBondContact O-N 3Å; L200-V202 PolarHBondContact O-N 2.84Å; L200-L203 WeakPolarHBondContact O-CB 3.13Å; L200-L203 PolarHBondContact O-N 3.39Å; L200-W204 WeakPolarHBondContact O-CB 3.45Å; L200-W204 PolarHBondContact O-N 3.28Å
201D92.3Very high91.4Very high55 Ų5556.9 Ų56.929%0.29429%0.293SS..Hα-helixtrans-62-43.6175.4-72.2-14.8000111.5S197 R198 W204 Q205S197-D201 WeakPolarHBondContact O-CB 3.37Å; S197-D201 VanDerWaalsContact O-CG 3.24Å; S197-D201 PolarHBondContact O-N 2.91Å; R198-D201 PolarHBondContact O-N 3.43Å; D201-W204 PolarHBondContact O-N 3.03Å; D201-Q205 VanDerWaalsContact O-CG 3.26Å; D201-Q205 WeakPolarHBondContact O-CG 3.44Å; D201-Q205 PolarHBondContact O-N 3.34Å; D201-Q205 PolarHBondContact O-NE2 3.48Å
202V94.4Very high92.1Very high0 Ų060.2 Ų60.20%031%0.31CS..Hα-helixtrans-67.5-42.7175.9175.20000110.4R198 L200 W204 Q205 F206 A213 H216 L217R198-V202 HydrophobicContact CG-CG2 4.47Å; R198-V202 WeakPolarHBondContact O-CG2 3.34Å; R198-V202 PolarHBondContact O-N 3.34Å; L200-V202 PolarHBondContact O-N 2.84Å; V202-W204 PolarHBondContact O-N 3.17Å; V202-Q205 PolarHBondContact O-N 3.5Å; V202-Q205 VanDerWaalsContact O-N 3.13Å; V202-F206 HydrophobicContact CG1-CD2 3.69Å; V202-F206 HydrophobicContact CG1-CE2 3.79Å; V202-F206 VanDerWaalsContact O-CD2 3.3Å; V202-F206 WeakPolarHBondContact O-CD2 3.47Å; V202-F206 PolarHBondContact O-N 2.86Å; V202-F206 VanDerWaalsContact O-N 3.11Å; V202-A213 HydrophobicContact CG1-CB 3.99Å; V202-H216 HydrophobicContact CG1-CB 4.24Å; V202-L217 HydrophobicContact CB-CD1 4.46Å; V202-L217 HydrophobicContact CB-CD2 4.2Å; V202-L217 HydrophobicContact CB-CG 4.2Å; V202-L217 HydrophobicContact CG1-CD1 4.49Å; V202-L217 HydrophobicContact CG1-CD2 4.44Å; V202-L217 HydrophobicContact CG1-CG 4.03Å; V202-L217 HydrophobicContact CG2-CD2 3.79Å; V202-L217 HydrophobicContact CG2-CG 4.28Å
203L95.6Very high93Very high0 Ų056.8 Ų56.80%029%0.287CS..Hα-helixtrans-55.8-43175.2-177.464.4000111.4M172 V173 Y176 A199 L200 F206 C208 P210 A213M172-L203 HydrophobicContact CE-CD2 4.4Å; M172-L203 HydrophobicContact SD-CD1 4.33Å; M172-L203 HydrophobicContact SD-CD2 4.22Å; V173-L203 HydrophobicContact CG2-CD2 4.38Å; Y176-L203 HydrophobicContact CD1-CB 4.31Å; Y176-L203 HydrophobicContact CD1-CD1 4.34Å; Y176-L203 HydrophobicContact CD1-CD2 3.71Å; Y176-L203 HydrophobicContact CD1-CG 4.34Å; Y176-L203 HydrophobicContact CD2-CD1 4.1Å; Y176-L203 HydrophobicContact CE1-CB 3.73Å; Y176-L203 HydrophobicContact CE1-CD1 4.39Å; Y176-L203 HydrophobicContact CE1-CD2 4Å; Y176-L203 HydrophobicContact CE1-CG 4.25Å; Y176-L203 HydrophobicContact CE2-CD1 4.16Å; Y176-L203 HydrophobicContact CG-CD1 4.16Å; Y176-L203 HydrophobicContact CG-CD2 4.15Å; A199-L203 WeakPolarHBondContact O-CB 3.3Å; A199-L203 PolarHBondContact O-N 2.89Å; L200-L203 WeakPolarHBondContact O-CB 3.13Å; L200-L203 PolarHBondContact O-N 3.39Å; L203-F206 PolarHBondContact O-N 2.91Å; L203-C208 VanDerWaalsContact O-CA 3.3Å; L203-C208 WeakPolarHBondContact O-CA 3.19Å; L203-C208 PolarHBondContact O-N 3.5Å; L203-P210 HydrophobicContact CD1-CB 4.28Å; L203-A213 HydrophobicContact CB-CB 4.49Å; L203-A213 HydrophobicContact CD1-CB 4.15Å
204W93.7Very high93.8Very high96 Ų9657 Ų5736%0.36429%0.287SS..Hα-helixtrans-65.2-43.2176.7-176-107.4000112.6F163 N164 L200 D201 V202 F206 D207F163-W204 HydrophobicContact CD2-CB 3.85Å; F163-W204 HydrophobicContact CD2-CE3 4.33Å; F163-W204 HydrophobicContact CD2-CG 4.36Å; F163-W204 HydrophobicContact CE2-CB 4.13Å; F163-W204 HydrophobicContact CE2-CE3 4.45Å; N164-W204 HydrophobicContact CB-CH2 3.39Å; N164-W204 HydrophobicContact CB-CZ2 4.11Å; N164-W204 HydrophobicContact CB-CZ3 3.68Å; N164-W204 VanDerWaalsContact O-CZ3 3.26Å; N164-W204 WeakPolarHBondContact O-CZ3 3.45Å; L200-W204 WeakPolarHBondContact O-CB 3.45Å; L200-W204 PolarHBondContact O-N 3.28Å; D201-W204 PolarHBondContact O-N 3.03Å; V202-W204 PolarHBondContact O-N 3.17Å; W204-F206 PolarHBondContact O-N 3.35Å; W204-D207 PolarHBondContact O-N 3Å
205Q94.2Very high94.5Very high114 Ų11461 Ų6153%0.53330%0.304SS..Hα-helixtrans-60-29.2176.5-74.8167.443.600113.4D201 V202D201-Q205 VanDerWaalsContact O-CG 3.26Å; D201-Q205 WeakPolarHBondContact O-CG 3.44Å; D201-Q205 PolarHBondContact O-N 3.34Å; D201-Q205 PolarHBondContact O-NE2 3.48Å; V202-Q205 PolarHBondContact O-N 3.5Å; V202-Q205 VanDerWaalsContact O-N 3.13Å
206F95.5Very high94.9Very high59 Ų5963 Ų6326%0.25931%0.312SS..THydrogen-bonded Turntrans-97.829.2178.7-74.2-82.5000113.3V202 L203 W204 C208 K209 L212 A213 H216V202-F206 HydrophobicContact CG1-CD2 3.69Å; V202-F206 HydrophobicContact CG1-CE2 3.79Å; V202-F206 VanDerWaalsContact O-CD2 3.3Å; V202-F206 WeakPolarHBondContact O-CD2 3.47Å; V202-F206 PolarHBondContact O-N 2.86Å; V202-F206 VanDerWaalsContact O-N 3.11Å; L203-F206 PolarHBondContact O-N 2.91Å; W204-F206 PolarHBondContact O-N 3.35Å; F206-C208 PolarHBondContact O-N 3.44Å; F206-K209 VanDerWaalsContact O-CB 3.27Å; F206-K209 WeakPolarHBondContact O-CB 3.28Å; F206-K209 WeakPolarHBondContact O-CG 3.32Å; F206-K209 PolarHBondContact O-N 3.3Å; F206-L212 HydrophobicContact CB-CB 4.32Å; F206-L212 HydrophobicContact CD1-CB 3.78Å; F206-L212 HydrophobicContact CD1-CD1 4.42Å; F206-L212 HydrophobicContact CE1-CB 4.42Å; F206-L212 HydrophobicContact CG-CB 4.18Å; F206-A213 HydrophobicContact CB-CB 4.34Å; F206-A213 HydrophobicContact CD2-CB 4.32Å; F206-H216 HydrophobicContact CD2-CB 4.38Å; F206-H216 HydrophobicContact CE2-CB 3.46Å; F206-H216 VanDerWaalsContact CE2-CB 3.46Å; F206-H216 AromaticContact CE2-CD2 3.85Å; F206-H216 AromaticContact CE2-CG 3.45Å; F206-H216 VanDerWaalsContact CE2-CG 3.45Å; F206-H216 AromaticContact CE2-ND1 3.89Å; F206-H216 HydrophobicContact CZ-CB 3.63Å; F206-H216 AromaticContact CZ-CG 3.64Å; F206-H216 AromaticContact CZ-ND1 3.67Å
207D93.2Very high95Very high122 Ų12260.3 Ų60.365%0.65230%0.296SS*.THydrogen-bonded Turntrans53.137.7179.9-52-50.4000113.3W204 K209W204-D207 PolarHBondContact O-N 3Å; D207-K209 VanDerWaalsContact C-N 3.25Å; D207-K209 PolarHBondContact O-N 2.89Å; D207-K209 IonicContact OD2-NZ 3.75Å; D207-K209 PolarHBondContact OD2-NZ 3.46Å
208C93.5Very high95.2Very high17 Ų1762 Ų6212%0.11529%0.293CS..THydrogen-bonded Turntrans59.831.3-177.2-57.50000114.3N168 M172 L203 F206 P210N168-C208 PolarHBondContact ND2-SG 3.26Å; M172-C208 HydrophobicContact CE-CB 3.89Å; L203-C208 VanDerWaalsContact O-CA 3.3Å; L203-C208 WeakPolarHBondContact O-CA 3.19Å; L203-C208 PolarHBondContact O-N 3.5Å; F206-C208 PolarHBondContact O-N 3.44Å; C208-P210 VanDerWaalsContact O-CD 3.23Å; C208-P210 WeakPolarHBondContact O-CD 3.36Å
209K94.8Very high95.4Very high102 Ų10265.1 Ų65.144%0.44331%0.309SS..  trans-92.699.2171.6-64.5166.5-173.1145.70109.8F206 D207 E211 L212 A213F206-K209 VanDerWaalsContact O-CB 3.27Å; F206-K209 WeakPolarHBondContact O-CB 3.28Å; F206-K209 WeakPolarHBondContact O-CG 3.32Å; F206-K209 PolarHBondContact O-N 3.3Å; D207-K209 VanDerWaalsContact C-N 3.25Å; D207-K209 PolarHBondContact O-N 2.89Å; D207-K209 IonicContact OD2-NZ 3.75Å; D207-K209 PolarHBondContact OD2-NZ 3.46Å; K209-E211 VanDerWaalsContact C-N 3.32Å; K209-E211 PolarHBondContact O-N 3.44Å; K209-L212 HydrophobicContact CB-CB 4.39Å; K209-L212 HydrophobicContact CB-CD1 4.12Å; K209-L212 HydrophobicContact CB-CG 4.34Å; K209-L212 HydrophobicContact CD-CD1 3.73Å; K209-L212 PolarHBondContact O-N 3.5Å; K209-A213 PolarHBondContact O-N 2.94Å; K209-A213 VanDerWaalsContact O-N 3.14Å
210P96.5Very high95.3Very high40 Ų4066.1 Ų66.126%0.2631%0.313SS..Hα-helixtrans-63-35.4-170.324.8-35.3000113.3M172 Y176 L203 C208 A213 L214M172-P210 HydrophobicContact CG-CG 4.32Å; M172-P210 HydrophobicContact SD-CB 4.4Å; M172-P210 HydrophobicContact SD-CG 4.27Å; Y176-P210 HydrophobicContact CD2-CB 3.65Å; Y176-P210 HydrophobicContact CG-CB 4.22Å; L203-P210 HydrophobicContact CD1-CB 4.28Å; C208-P210 VanDerWaalsContact O-CD 3.23Å; C208-P210 WeakPolarHBondContact O-CD 3.36Å; P210-A213 PolarHBondContact O-N 3.49Å; P210-L214 WeakPolarHBondContact O-CB 3.35Å; P210-L214 VanDerWaalsContact O-CG 3.24Å; P210-L214 WeakPolarHBondContact O-CG 3.5Å; P210-L214 PolarHBondContact O-N 2.86Å
211E97.5Very high95Very high167 Ų16764.6 Ų64.678%0.7831%0.305SS*.Hα-helixtrans-62.5-46.8-179.6-63.7175.9-179.200112.1K209 L214 E215K209-E211 VanDerWaalsContact C-N 3.32Å; K209-E211 PolarHBondContact O-N 3.44Å; E211-L214 PolarHBondContact O-N 2.92Å; E211-E215 PolarHBondContact O-N 3.45Å
212L97.9Very high94.9Very high78 Ų7864.8 Ų64.841%0.40831%0.306SS..Hα-helixtrans-68.2-39.7178.2-63178.7000111.8F206 K209 E215 H216F206-L212 HydrophobicContact CB-CB 4.32Å; F206-L212 HydrophobicContact CD1-CB 3.78Å; F206-L212 HydrophobicContact CD1-CD1 4.42Å; F206-L212 HydrophobicContact CE1-CB 4.42Å; F206-L212 HydrophobicContact CG-CB 4.18Å; K209-L212 HydrophobicContact CB-CB 4.39Å; K209-L212 HydrophobicContact CB-CD1 4.12Å; K209-L212 HydrophobicContact CB-CG 4.34Å; K209-L212 HydrophobicContact CD-CD1 3.73Å; K209-L212 PolarHBondContact O-N 3.5Å; L212-E215 PolarHBondContact O-N 3.14Å; L212-H216 WeakPolarHBondContact O-CB 3.45Å; L212-H216 PolarHBondContact O-N 2.97Å
213A97.5Very high94.7Very high0 Ų070.4 Ų70.40%034%0.336CS..Hα-helixtrans-63.4-43177.200000111.8Y176 V202 L203 F206 K209 P210 H216 L217Y176-A213 HydrophobicContact CE2-CB 3.68Å; V202-A213 HydrophobicContact CG1-CB 3.99Å; L203-A213 HydrophobicContact CB-CB 4.49Å; L203-A213 HydrophobicContact CD1-CB 4.15Å; F206-A213 HydrophobicContact CB-CB 4.34Å; F206-A213 HydrophobicContact CD2-CB 4.32Å; K209-A213 PolarHBondContact O-N 2.94Å; K209-A213 VanDerWaalsContact O-N 3.14Å; P210-A213 PolarHBondContact O-N 3.49Å; A213-H216 PolarHBondContact O-N 3.36Å; A213-L217 WeakPolarHBondContact O-CG 3.13Å; A213-L217 PolarHBondContact O-N 3.24Å
214L97.9Very high94.1Very high35 Ų3573.3 Ų73.318%0.18335%0.349CS..Hα-helixtrans-65.4-42175.1-72.3171.2000112.1Y176 Y180 P210 E211 H216 L217 K218Y176-L214 HydrophobicContact CD2-CD1 4.33Å; Y176-L214 HydrophobicContact CD2-CD2 4.06Å; Y176-L214 HydrophobicContact CD2-CG 3.87Å; Y176-L214 HydrophobicContact CE2-CD2 3.79Å; Y176-L214 HydrophobicContact CE2-CG 3.71Å; Y180-L214 HydrophobicContact CD2-CD2 4.4Å; P210-L214 WeakPolarHBondContact O-CB 3.35Å; P210-L214 VanDerWaalsContact O-CG 3.24Å; P210-L214 WeakPolarHBondContact O-CG 3.5Å; P210-L214 PolarHBondContact O-N 2.86Å; E211-L214 PolarHBondContact O-N 2.92Å; L214-H216 VanDerWaalsContact C-N 3.32Å; L214-H216 PolarHBondContact O-N 3.33Å; L214-L217 PolarHBondContact O-N 2.94Å; L214-K218 VanDerWaalsContact O-CB 3.31Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 PolarHBondContact O-N 2.97Å
215E97.8Very high93.6Very high137 Ų13769.2 Ų69.264%0.6433%0.334SS*.Hα-helixtrans-61.1-42.4175.6-172.4-179.3178.400111.4E211 L212 K218 K219E211-E215 PolarHBondContact O-N 3.45Å; L212-E215 PolarHBondContact O-N 3.14Å; E215-K218 PolarHBondContact O-N 3.45Å; E215-K219 PolarHBondContact O-N 3.49Å
216H97Very high93.1Very high65 Ų6566 Ų6630%0.30132%0.323SS..Hα-helixtrans-62.6-49.7175.8-17679.6000112.2V202 F206 L212 A213 L214 K218 K219 E220V202-H216 HydrophobicContact CG1-CB 4.24Å; F206-H216 HydrophobicContact CD2-CB 4.38Å; F206-H216 HydrophobicContact CE2-CB 3.46Å; F206-H216 VanDerWaalsContact CE2-CB 3.46Å; F206-H216 AromaticContact CE2-CD2 3.85Å; F206-H216 AromaticContact CE2-CG 3.45Å; F206-H216 VanDerWaalsContact CE2-CG 3.45Å; F206-H216 AromaticContact CE2-ND1 3.89Å; F206-H216 HydrophobicContact CZ-CB 3.63Å; F206-H216 AromaticContact CZ-CG 3.64Å; F206-H216 AromaticContact CZ-ND1 3.67Å; L212-H216 WeakPolarHBondContact O-CB 3.45Å; L212-H216 PolarHBondContact O-N 2.97Å; A213-H216 PolarHBondContact O-N 3.36Å; L214-H216 VanDerWaalsContact C-N 3.32Å; L214-H216 PolarHBondContact O-N 3.33Å; H216-K218 VanDerWaalsContact C-N 3.29Å; H216-K218 PolarHBondContact O-N 2.95Å; H216-K219 PolarHBondContact O-N 3.19Å; H216-E220 IonicContact NE2-OE2 2.72Å; H216-E220 WeakPolarHBondContact O-CB 3.44Å; H216-E220 PolarHBondContact O-N 3.45Å
217L95.4Very high92.7Very high0 Ų068 Ų680%033%0.333CS..Hα-helixtrans-60.7-39.9177.7-75.9169.1000111.8Y176 Y180 M183 R198 A199 V202 A213 L214 E220 M221Y176-L217 WeakPolarHBondContact OH-CD1 3.47Å; Y180-L217 HydrophobicContact CD2-CD1 3.77Å; Y180-L217 HydrophobicContact CE2-CB 4.19Å; Y180-L217 HydrophobicContact CE2-CD1 3.78Å; Y180-L217 HydrophobicContact CE2-CD2 4.46Å; Y180-L217 HydrophobicContact CE2-CG 4.38Å; Y180-L217 HydrophobicContact CG-CD1 4.29Å; M183-L217 HydrophobicContact CE-CB 3.96Å; R198-L217 HydrophobicContact CG-CD2 4.13Å; A199-L217 HydrophobicContact CB-CD1 4.34Å; V202-L217 HydrophobicContact CB-CD1 4.46Å; V202-L217 HydrophobicContact CB-CD2 4.2Å; V202-L217 HydrophobicContact CB-CG 4.2Å; V202-L217 HydrophobicContact CG1-CD1 4.49Å; V202-L217 HydrophobicContact CG1-CD2 4.44Å; V202-L217 HydrophobicContact CG1-CG 4.03Å; V202-L217 HydrophobicContact CG2-CD2 3.79Å; V202-L217 HydrophobicContact CG2-CG 4.28Å; A213-L217 WeakPolarHBondContact O-CG 3.13Å; A213-L217 PolarHBondContact O-N 3.24Å; L214-L217 PolarHBondContact O-N 2.94Å; L217-E220 PolarHBondContact O-N 3.11Å; L217-M221 WeakPolarHBondContact O-CB 3.38Å; L217-M221 WeakPolarHBondContact O-CG 3.42Å; L217-M221 PolarHBondContact O-N 3.43Å
218K94.9Very high92.3Very high116 Ų11668.7 Ų68.750%0.50434%0.337SS..Hα-helixtrans-59.7-48.8176.1-171.1175.8178.3178.50111.2M183 L214 E215 H216 M221 D222M183-K218 HydrophobicContact CE-CB 4.34Å; M183-K218 HydrophobicContact SD-CB 3.67Å; M183-K218 HydrophobicContact SD-CG 4.17Å; L214-K218 VanDerWaalsContact O-CB 3.31Å; L214-K218 WeakPolarHBondContact O-CB 3.49Å; L214-K218 PolarHBondContact O-N 2.97Å; E215-K218 PolarHBondContact O-N 3.45Å; H216-K218 VanDerWaalsContact C-N 3.29Å; H216-K218 PolarHBondContact O-N 2.95Å; K218-M221 PolarHBondContact O-N 3.34Å; K218-D222 VanDerWaalsContact O-CG 3.24Å; K218-D222 PolarHBondContact O-N 2.96Å
219K94.9Very high91.9Very high134 Ų13470.7 Ų70.758%0.58335%0.348SS*.Hα-helixtrans-61.7-47.2177.8-176.7-177.6176.7-176.70111.6E215 H216 M221 D222 D223E215-K219 PolarHBondContact O-N 3.49Å; H216-K219 PolarHBondContact O-N 3.19Å; K219-M221 VanDerWaalsContact C-N 3.3Å; K219-M221 PolarHBondContact O-N 2.95Å; K219-D222 PolarHBondContact O-N 2.84Å; K219-D222 VanDerWaalsContact O-N 3.15Å; K219-D223 PolarHBondContact O-N 2.76Å
220E92.1Very high91.4Very high20 Ų2074.3 Ų74.39%0.09337%0.367CS..Hα-helixtrans-55-48.7176.6-173.1-177.316400110.6R198 H216 L217 D222 D223 F224 Y239R198-E220 IonicContact CZ-OE1 3.32Å; R198-E220 IonicContact CZ-OE2 3.23Å; R198-E220 IonicContact NE-OE1 2.93Å; R198-E220 PolarHBondContact NE-OE1 3.07Å; R198-E220 IonicContact NE-OE2 3.66Å; R198-E220 PolarHBondContact NE-OE2 2.92Å; R198-E220 VanDerWaalsContact NH2-CD 3.32Å; R198-E220 IonicContact NH2-OE1 3.27Å; R198-E220 PolarHBondContact NH2-OE1 3.44Å; R198-E220 IonicContact NH2-OE2 3.33Å; R198-E220 PolarHBondContact NH2-OE2 2.97Å; H216-E220 IonicContact NE2-OE2 2.72Å; H216-E220 WeakPolarHBondContact O-CB 3.44Å; H216-E220 PolarHBondContact O-N 3.45Å; L217-E220 PolarHBondContact O-N 3.11Å; E220-D222 VanDerWaalsContact C-N 3.35Å; E220-D222 PolarHBondContact O-N 2.71Å; E220-D223 PolarHBondContact O-N 2.91Å; E220-F224 HydrophobicContact CG-CD2 3.71Å; E220-F224 HydrophobicContact CG-CE2 3.56Å; E220-F224 WeakPolarHBondContact O-CD2 3.4Å; E220-F224 PolarHBondContact O-N 3.18Å; E220-Y239 PolarHBondContact OE1-OH 3.45Å
221M88.8Confident90.7Very high0 Ų074.8 Ų74.80%036%0.364CS..Hα-helixtrans-64.7-35.6178.2-72.716943.200113.3Y180 M183 L184 R187 I191 L217 K218 K219 Y225 Y239Y180-M221 HydrophobicContact CE2-SD 3.98Å; M183-M221 HydrophobicContact CE-CE 4.12Å; M183-M221 HydrophobicContact CE-SD 3.54Å; M183-M221 VanDerWaalsContact CE-SD 3.54Å; L184-M221 HydrophobicContact CD2-CE 3.33Å; L184-M221 HydrophobicContact CD2-SD 3.58Å; L184-M221 VanDerWaalsContact CD2-SD 3.58Å; L184-M221 HydrophobicContact CG-CE 4.35Å; R187-M221 VanDerWaalsContact CD-CE 3.44Å; I191-M221 HydrophobicContact CD1-CE 3.83Å; L217-M221 WeakPolarHBondContact O-CB 3.38Å; L217-M221 WeakPolarHBondContact O-CG 3.42Å; L217-M221 PolarHBondContact O-N 3.43Å; K218-M221 PolarHBondContact O-N 3.34Å; K219-M221 VanDerWaalsContact C-N 3.3Å; K219-M221 PolarHBondContact O-N 2.95Å; M221-Y225 CarbonylContact O-C 3.41Å; M221-Y225 WeakPolarHBondContact O-CA 3.47Å; M221-Y225 WeakPolarHBondContact O-CB 3.36Å; M221-Y225 PolarHBondContact O-N 2.87Å; M221-Y239 HydrophobicContact CG-CE1 4.42Å
222D90.5Very high89.9Confident59 Ų5969 Ų6932%0.31634%0.339SS..Hα-helixtrans-69.3-35.5176.4-69.9-18.2000112.2R187 K218 K219 E220R187-D222 IonicContact CZ-OD1 2.71Å; R187-D222 VanDerWaalsContact CZ-OD1 3.23Å; R187-D222 IonicContact NH1-OD1 3.39Å; R187-D222 PolarHBondContact NH1-OD1 2.78Å; R187-D222 IonicContact NH2-OD1 3.96Å; R187-D222 PolarHBondContact NH2-OD1 2.76Å; K218-D222 VanDerWaalsContact O-CG 3.24Å; K218-D222 PolarHBondContact O-N 2.96Å; K219-D222 PolarHBondContact O-N 2.84Å; K219-D222 VanDerWaalsContact O-N 3.15Å; E220-D222 VanDerWaalsContact C-N 3.35Å; E220-D222 PolarHBondContact O-N 2.71Å
223D88.8Confident89.2Confident118 Ų11868.2 Ų68.263%0.63134%0.336SS*.Hα-helixtrans-67.9-39175.6-70.7-22.5000111.6K219 E220K219-D223 PolarHBondContact O-N 2.76Å; E220-D223 PolarHBondContact O-N 2.91Å
224F83.2Confident88.4Confident61 Ų6168.4 Ų68.427%0.26834%0.337SS..Hα-helixtrans-87.8-33.2-179.1-71.1-67.8000114.4E220 Y231 Y239 P243E220-F224 HydrophobicContact CG-CD2 3.71Å; E220-F224 HydrophobicContact CG-CE2 3.56Å; E220-F224 WeakPolarHBondContact O-CD2 3.4Å; E220-F224 PolarHBondContact O-N 3.18Å; F224-Y231 PolarHBondContact O-OH 3.3Å; F224-Y239 HydrophobicContact CB-CE2 4.22Å; F224-Y239 HydrophobicContact CD2-CE2 4.18Å; F224-Y239 HydrophobicContact CG-CE2 4.29Å; F224-P243 WeakPolarHBondContact CD1-O 3.35Å; F224-P243 WeakPolarHBondContact CE1-O 3.33Å
225Y83Confident87.7Confident9 Ų967.3 Ų67.34%0.03533%0.331CS..SBendtrans-129.769.2-175.1-65.4-94.5000111.1R187 M221 E227 Y231 Q235 L236 Y239R187-Y225 PolarHBondContact NH2-O 3.25Å; M221-Y225 CarbonylContact O-C 3.41Å; M221-Y225 WeakPolarHBondContact O-CA 3.47Å; M221-Y225 WeakPolarHBondContact O-CB 3.36Å; M221-Y225 PolarHBondContact O-N 2.87Å; Y225-E227 PolarHBondContact O-N 2.87Å; Y225-Y231 WeakPolarHBondContact CA-OH 3.31Å; Y225-Y231 AromaticContact CD1-CD1 3.74Å; Y225-Y231 HydrophobicContact CD1-CD1 3.74Å; Y225-Y231 AromaticContact CD1-CD2 3.68Å; Y225-Y231 HydrophobicContact CD1-CD2 3.68Å; Y225-Y231 AromaticContact CD1-CE1 3.51Å; Y225-Y231 HydrophobicContact CD1-CE1 3.51Å; Y225-Y231 AromaticContact CD1-CE2 3.48Å; Y225-Y231 HydrophobicContact CD1-CE2 3.48Å; Y225-Y231 VanDerWaalsContact CD1-CE2 3.48Å; Y225-Y231 AromaticContact CD1-CG 3.81Å; Y225-Y231 HydrophobicContact CD1-CG 3.81Å; Y225-Y231 AromaticContact CD1-CZ 3.39Å; Y225-Y231 AromaticContact CE1-CD1 3.67Å; Y225-Y231 HydrophobicContact CE1-CD1 3.67Å; Y225-Y231 HydrophobicContact CE1-CD2 4.4Å; Y225-Y231 AromaticContact CE1-CE1 3.62Å; Y225-Y231 HydrophobicContact CE1-CE1 3.62Å; Y225-Y231 HydrophobicContact CE1-CE2 4.38Å; Y225-Y231 HydrophobicContact CE1-CG 4.07Å; Y225-Y231 HydrophobicContact CG-CE2 4.18Å; Y225-Q235 PolarHBondContact OH-O 3.43Å; Y225-L236 HydrophobicContact CD1-CD2 3.83Å; Y225-L236 HydrophobicContact CE1-CD2 3.87Å; Y225-Y239 HydrophobicContact CD2-CD2 4.24Å; Y225-Y239 HydrophobicContact CD2-CE2 4.27Å; Y225-Y239 HydrophobicContact CE2-CD1 4.48Å; Y225-Y239 AromaticContact CE2-CD2 3.2Å; Y225-Y239 HydrophobicContact CE2-CD2 3.2Å; Y225-Y239 AromaticContact CE2-CE2 3.57Å; Y225-Y239 HydrophobicContact CE2-CE2 3.57Å; Y225-Y239 AromaticContact CE2-CG 3.69Å; Y225-Y239 HydrophobicContact CE2-CG 3.69Å; Y225-Y239 AromaticContact CZ-CD2 3.76Å; Y225-Y239 VanDerWaalsContact OH-CB 3.32Å; Y225-Y239 WeakPolarHBondContact OH-CB 3.32Å
226P85.4Confident86.8Confident48 Ų4861.4 Ų61.431%0.31230%0.303SS..  trans-59.9137177.330.2-39.4000109.9N228 V229 Y231P226-N228 WeakPolarHBondContact CB-OD1 3.44Å; P226-N228 WeakPolarHBondContact CG-OD1 3.49Å; P226-N228 PolarHBondContact O-N 3.44Å; P226-N228 PolarHBondContact O-OD1 2.81Å; P226-V229 HydrophobicContact CG-CG2 4.03Å; P226-V229 PolarHBondContact O-N 3.45Å; P226-Y231 WeakPolarHBondContact CD-OH 3.38Å
227E85.7Confident86.1Confident101 Ų10161 Ų6147%0.47230%0.299SS..THydrogen-bonded Turntrans-62.7-11.1-171.2-60.9-171.9150.900114.4Y225 V229Y225-E227 PolarHBondContact O-N 2.87Å; E227-V229 VanDerWaalsContact C-N 3.35Å
228N85.8Confident85.4Confident136 Ų13661.2 Ų61.273%0.72730%0.3SS*.THydrogen-bonded Turntrans-83.7-7.5177.665.3-19.7000113.5P226P226-N228 WeakPolarHBondContact CB-OD1 3.44Å; P226-N228 WeakPolarHBondContact CG-OD1 3.49Å; P226-N228 PolarHBondContact O-N 3.44Å; P226-N228 PolarHBondContact O-OD1 2.81Å
229V84Confident84.4Confident59 Ų5956 Ų5636%0.35828%0.278SS..SBendtrans-105.1125.4178.3-179.70000109.8N189 P226 E227 Y231N189-V229 PolarHBondContact ND2-O 2.75Å; P226-V229 HydrophobicContact CG-CG2 4.03Å; P226-V229 PolarHBondContact O-N 3.45Å; E227-V229 VanDerWaalsContact C-N 3.35Å; V229-Y231 HydrophobicContact CB-CD2 4.28Å; V229-Y231 HydrophobicContact CB-CE2 3.54Å; V229-Y231 HydrophobicContact CG1-CD1 4.45Å; V229-Y231 HydrophobicContact CG1-CD2 4.09Å; V229-Y231 HydrophobicContact CG1-CE1 4.04Å; V229-Y231 HydrophobicContact CG1-CE2 3.6Å; V229-Y231 HydrophobicContact CG1-CG 4.48Å; V229-Y231 WeakPolarHBondContact O-CD2 3.19Å; V229-Y231 WeakPolarHBondContact O-CE2 3.32Å
230E84.4Confident83.3Confident177 Ų17751.2 Ų51.283%0.82726%0.26SS*.PPolyproline II helixtrans-81.1118.6170.2-69.2-178.4-17800109.4
231Y81.8Confident82.5Confident51 Ų5154.7 Ų54.720%0.228%0.275CS..PPolyproline II helixtrans-101.9143.1177.6-65.2-92000110.1F224 Y225 P226 V229 Q235 L236F224-Y231 PolarHBondContact O-OH 3.3Å; Y225-Y231 WeakPolarHBondContact CA-OH 3.31Å; Y225-Y231 AromaticContact CD1-CD1 3.74Å; Y225-Y231 HydrophobicContact CD1-CD1 3.74Å; Y225-Y231 AromaticContact CD1-CD2 3.68Å; Y225-Y231 HydrophobicContact CD1-CD2 3.68Å; Y225-Y231 AromaticContact CD1-CE1 3.51Å; Y225-Y231 HydrophobicContact CD1-CE1 3.51Å; Y225-Y231 AromaticContact CD1-CE2 3.48Å; Y225-Y231 HydrophobicContact CD1-CE2 3.48Å; Y225-Y231 VanDerWaalsContact CD1-CE2 3.48Å; Y225-Y231 AromaticContact CD1-CG 3.81Å; Y225-Y231 HydrophobicContact CD1-CG 3.81Å; Y225-Y231 AromaticContact CD1-CZ 3.39Å; Y225-Y231 AromaticContact CE1-CD1 3.67Å; Y225-Y231 HydrophobicContact CE1-CD1 3.67Å; Y225-Y231 HydrophobicContact CE1-CD2 4.4Å; Y225-Y231 AromaticContact CE1-CE1 3.62Å; Y225-Y231 HydrophobicContact CE1-CE1 3.62Å; Y225-Y231 HydrophobicContact CE1-CE2 4.38Å; Y225-Y231 HydrophobicContact CE1-CG 4.07Å; Y225-Y231 HydrophobicContact CG-CE2 4.18Å; P226-Y231 WeakPolarHBondContact CD-OH 3.38Å; V229-Y231 HydrophobicContact CB-CD2 4.28Å; V229-Y231 HydrophobicContact CB-CE2 3.54Å; V229-Y231 HydrophobicContact CG1-CD1 4.45Å; V229-Y231 HydrophobicContact CG1-CD2 4.09Å; V229-Y231 HydrophobicContact CG1-CE1 4.04Å; V229-Y231 HydrophobicContact CG1-CE2 3.6Å; V229-Y231 HydrophobicContact CG1-CG 4.48Å; V229-Y231 WeakPolarHBondContact O-CD2 3.19Å; V229-Y231 WeakPolarHBondContact O-CE2 3.32Å; Y231-Q235 HydrophobicContact CD1-CB 4.19Å; Y231-L236 HydrophobicContact CD2-CD2 4.36Å; Y231-L236 HydrophobicContact CG-CD2 4.04Å
232T81.5Confident81.8Confident44 Ų4455.4 Ų55.427%0.2728%0.28SS..PPolyproline II helixtrans-72.3151.2169.459.70000110.4I234 Q235 L236T232-I234 PolarHBondContact O-N 2.95Å; T232-I234 WeakPolarHBondContact OG1-CG2 3.19Å; T232-Q235 WeakPolarHBondContact O-CB 3.49Å; T232-Q235 PolarHBondContact O-N 3.39Å; T232-Q235 VanDerWaalsContact OG1-CD 3.29Å; T232-Q235 VanDerWaalsContact OG1-CG 3.24Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.29Å; T232-Q235 PolarHBondContact OG1-OE1 3.21Å; T232-L236 PolarHBondContact O-N 2.86Å
233D82.2Confident81Confident63 Ų6353.9 Ų53.934%0.33727%0.274SS..Hα-helixtrans-46.9-41.5177.6174.936.9000112.2P192 Q235 L236 R237P192-D233 WeakPolarHBondContact CG-OD1 3.33Å; D233-Q235 PolarHBondContact O-N 3.2Å; D233-L236 PolarHBondContact O-N 3.15Å; D233-R237 WeakPolarHBondContact O-CG 3.45Å; D233-R237 PolarHBondContact O-N 3Å; D233-R237 IonicContact OD1-CZ 3.63Å; D233-R237 IonicContact OD1-NE 2.73Å; D233-R237 PolarHBondContact OD1-NE 2.95Å; D233-R237 IonicContact OD1-NH2 3.66Å; D233-R237 IonicContact OD2-CZ 2.75Å; D233-R237 IonicContact OD2-NE 3.71Å; D233-R237 PolarHBondContact OD2-NE 3.5Å; D233-R237 IonicContact OD2-NH2 3.54Å
234I80.7Confident80.4Confident4 Ų456.1 Ų56.12%0.02128%0.28CS..Hα-helixtrans-66.8-37.4177.7-172.9146.7000114.4T232 L236 R237 M238 V252 F285 F289 T292T232-I234 PolarHBondContact O-N 2.95Å; T232-I234 WeakPolarHBondContact OG1-CG2 3.19Å; I234-L236 PolarHBondContact O-N 3.46Å; I234-R237 PolarHBondContact O-N 3.38Å; I234-M238 HydrophobicContact CG1-CG 4.43Å; I234-M238 WeakPolarHBondContact O-CB 3.36Å; I234-M238 VanDerWaalsContact O-CG 3.3Å; I234-M238 WeakPolarHBondContact O-CG 3.43Å; I234-M238 PolarHBondContact O-N 3.09Å; I234-M238 VanDerWaalsContact O-N 3.11Å; I234-V252 HydrophobicContact CG2-CG1 3.89Å; I234-V252 HydrophobicContact CG2-CG2 4.27Å; I234-F285 HydrophobicContact CD1-CD1 4.24Å; I234-F285 HydrophobicContact CD1-CD2 4.38Å; I234-F285 HydrophobicContact CD1-CE1 3.47Å; I234-F285 VanDerWaalsContact CD1-CE1 3.47Å; I234-F285 HydrophobicContact CD1-CE2 3.66Å; I234-F285 HydrophobicContact CD1-CZ 3.15Å; I234-F285 HydrophobicContact CG1-CD2 4.36Å; I234-F285 HydrophobicContact CG1-CE1 4.33Å; I234-F285 HydrophobicContact CG1-CE2 3.6Å; I234-F285 HydrophobicContact CG1-CZ 3.59Å; I234-F289 HydrophobicContact CD1-CB 3.44Å; I234-F289 VanDerWaalsContact CD1-CB 3.44Å; I234-F289 HydrophobicContact CD1-CD2 3.3Å; I234-F289 HydrophobicContact CD1-CE2 4.31Å; I234-F289 HydrophobicContact CD1-CG 3.68Å; I234-T292 HydrophobicContact CB-CG2 4.21Å; I234-T292 HydrophobicContact CD1-CG2 4.44Å
235Q83.2Confident80.5Confident11 Ų1157.1 Ų57.15%0.05129%0.288CS..Hα-helixtrans-66.4-33.5177.5-71.9169.8-60.400111.1Y225 Y231 T232 D233 W247 V252Y225-Q235 PolarHBondContact OH-O 3.43Å; Y231-Q235 HydrophobicContact CD1-CB 4.19Å; T232-Q235 WeakPolarHBondContact O-CB 3.49Å; T232-Q235 PolarHBondContact O-N 3.39Å; T232-Q235 VanDerWaalsContact OG1-CD 3.29Å; T232-Q235 VanDerWaalsContact OG1-CG 3.24Å; T232-Q235 WeakPolarHBondContact OG1-CG 3.29Å; T232-Q235 PolarHBondContact OG1-OE1 3.21Å; D233-Q235 PolarHBondContact O-N 3.2Å; Q235-W247 HydrophobicContact CG-CB 4.47Å; Q235-W247 WeakPolarHBondContact CG-O 3.35Å; Q235-W247 PolarHBondContact NE2-O 3.11Å; Q235-V252 HydrophobicContact CG-CG2 4.1Å
236L80.5Confident80.6Confident13 Ų1358.9 Ų58.97%0.06830%0.3CS..Hα-helixtrans-71.9-42.3175.7-62.3174.2000111.4P190 I191 P192 C193 Y225 Y231 T232 D233 I234 M238 Y239P190-L236 WeakPolarHBondContact O-CD1 3.41Å; I191-L236 HydrophobicContact CG1-CD2 4.29Å; P192-L236 HydrophobicContact CG-CB 4.21Å; C193-L236 PolarHBondContact SG-O 2.93Å; Y225-L236 HydrophobicContact CD1-CD2 3.83Å; Y225-L236 HydrophobicContact CE1-CD2 3.87Å; Y231-L236 HydrophobicContact CD2-CD2 4.36Å; Y231-L236 HydrophobicContact CG-CD2 4.04Å; T232-L236 PolarHBondContact O-N 2.86Å; D233-L236 PolarHBondContact O-N 3.15Å; I234-L236 PolarHBondContact O-N 3.46Å; L236-M238 PolarHBondContact O-N 3.1Å; L236-Y239 WeakPolarHBondContact O-CB 3.48Å; L236-Y239 PolarHBondContact O-N 2.76Å
237R82.1Confident80.8Confident57 Ų5756.9 Ų56.922%0.21529%0.286CS..Hα-helixtrans-65.3-21.6176.3-70.8176.7-172.4-115.34.5114.5P192 D233 I234 P240 Q288P192-R237 HydrophobicContact CG-CG 4.2Å; D233-R237 WeakPolarHBondContact O-CG 3.45Å; D233-R237 PolarHBondContact O-N 3Å; D233-R237 IonicContact OD1-CZ 3.63Å; D233-R237 IonicContact OD1-NE 2.73Å; D233-R237 PolarHBondContact OD1-NE 2.95Å; D233-R237 IonicContact OD1-NH2 3.66Å; D233-R237 IonicContact OD2-CZ 2.75Å; D233-R237 IonicContact OD2-NE 3.71Å; D233-R237 PolarHBondContact OD2-NE 3.5Å; D233-R237 IonicContact OD2-NH2 3.54Å; I234-R237 PolarHBondContact O-N 3.38Å; R237-P240 WeakPolarHBondContact O-CD 3.3Å; R237-Q288 HydrophobicContact CB-CB 4.33Å
238M80.7Confident81.1Confident4 Ų458.4 Ų58.42%0.0229%0.291CS..THydrogen-bonded Turntrans-82.8-14.5179.1-78.4-78.982.400114.6I234 L236 P240 F241 S242 W247 F285 Q288I234-M238 HydrophobicContact CG1-CG 4.43Å; I234-M238 WeakPolarHBondContact O-CB 3.36Å; I234-M238 VanDerWaalsContact O-CG 3.3Å; I234-M238 WeakPolarHBondContact O-CG 3.43Å; I234-M238 PolarHBondContact O-N 3.09Å; I234-M238 VanDerWaalsContact O-N 3.11Å; L236-M238 PolarHBondContact O-N 3.1Å; M238-P240 VanDerWaalsContact C-CD 3.43Å; M238-F241 HydrophobicContact CE-CB 4.46Å; M238-F241 HydrophobicContact CE-CD2 3.76Å; M238-F241 HydrophobicContact CE-CE2 4.45Å; M238-F241 HydrophobicContact CE-CG 4.34Å; M238-F241 PolarHBondContact O-N 3.22Å; M238-S242 PolarHBondContact O-N 3.09Å; M238-W247 HydrophobicContact CG-CG 4.4Å; M238-F285 HydrophobicContact CG-CD2 3.56Å; M238-F285 HydrophobicContact CG-CE2 4.03Å; M238-F285 HydrophobicContact CG-CG 4.5Å; M238-F285 WeakPolarHBondContact SD-CA 3.45Å; M238-F285 HydrophobicContact SD-CB 3.6Å; M238-F285 HydrophobicContact SD-CD2 3.42Å; M238-F285 WeakPolarHBondContact SD-CD2 3.4Å; M238-F285 HydrophobicContact SD-CE2 4.44Å; M238-F285 HydrophobicContact SD-CG 3.89Å; M238-Q288 HydrophobicContact CE-CB 3.49Å; M238-Q288 VanDerWaalsContact CE-CB 3.49Å; M238-Q288 HydrophobicContact CE-CG 3.19Å
239Y72.7Confident81.3Confident8 Ų856.2 Ų56.23%0.03128%0.284CS..G310 helixtrans-50.9-48.9-177.3177-126.1000114.3E220 M221 F224 Y225 L236 F241 S242 P243E220-Y239 PolarHBondContact OE1-OH 3.45Å; M221-Y239 HydrophobicContact CG-CE1 4.42Å; F224-Y239 HydrophobicContact CB-CE2 4.22Å; F224-Y239 HydrophobicContact CD2-CE2 4.18Å; F224-Y239 HydrophobicContact CG-CE2 4.29Å; Y225-Y239 HydrophobicContact CD2-CD2 4.24Å; Y225-Y239 HydrophobicContact CD2-CE2 4.27Å; Y225-Y239 HydrophobicContact CE2-CD1 4.48Å; Y225-Y239 AromaticContact CE2-CD2 3.2Å; Y225-Y239 HydrophobicContact CE2-CD2 3.2Å; Y225-Y239 AromaticContact CE2-CE2 3.57Å; Y225-Y239 HydrophobicContact CE2-CE2 3.57Å; Y225-Y239 AromaticContact CE2-CG 3.69Å; Y225-Y239 HydrophobicContact CE2-CG 3.69Å; Y225-Y239 AromaticContact CZ-CD2 3.76Å; Y225-Y239 VanDerWaalsContact OH-CB 3.32Å; Y225-Y239 WeakPolarHBondContact OH-CB 3.32Å; L236-Y239 WeakPolarHBondContact O-CB 3.48Å; L236-Y239 PolarHBondContact O-N 2.76Å; Y239-F241 PolarHBondContact O-N 3.32Å; Y239-F241 VanDerWaalsContact O-N 3.09Å; Y239-S242 PolarHBondContact O-N 2.98Å; Y239-P243 HydrophobicContact CD2-CB 4.2Å; Y239-P243 HydrophobicContact CE2-CB 3.83Å; Y239-P243 WeakPolarHBondContact O-CD 3.29Å
240P73.2Confident81.8Confident33 Ų3361 Ų6121%0.21430%0.303CS..G310 helixtrans-59.8-29.1-175-27.839.5000114D195 R237 M238D195-P240 HydrophobicContact CB-CB 4.09Å; D195-P240 HydrophobicContact CB-CG 3.99Å; D195-P240 VanDerWaalsContact OD2-CA 3.29Å; D195-P240 WeakPolarHBondContact OD2-CA 3.29Å; D195-P240 WeakPolarHBondContact OD2-CB 3.38Å; R237-P240 WeakPolarHBondContact O-CD 3.3Å; M238-P240 VanDerWaalsContact C-CD 3.43Å
241F74.9Confident82.4Confident93 Ų9354 Ų5441%0.40827%0.27SS..G310 helixtrans-94.5-21.5-169-59.9-82.8000113M238 Y239 Q288M238-F241 HydrophobicContact CE-CB 4.46Å; M238-F241 HydrophobicContact CE-CD2 3.76Å; M238-F241 HydrophobicContact CE-CE2 4.45Å; M238-F241 HydrophobicContact CE-CG 4.34Å; M238-F241 PolarHBondContact O-N 3.22Å; Y239-F241 PolarHBondContact O-N 3.32Å; Y239-F241 VanDerWaalsContact O-N 3.09Å; F241-Q288 HydrophobicContact CD2-CG 4.25Å; F241-Q288 HydrophobicContact CE2-CG 3.85Å; F241-Q288 VanDerWaalsContact CZ-NE2 3.34Å
242S74.7Confident83Confident15 Ų1551.7 Ų51.711%0.10526%0.262CS..  trans-153.561.8-176.3-56.70000111.8M238 Y239 H244 L245M238-S242 PolarHBondContact O-N 3.09Å; Y239-S242 PolarHBondContact O-N 2.98Å; S242-H244 PolarHBondContact O-N 3.16Å; S242-L245 CarbonylContact O-C 3.58Å; S242-L245 PolarHBondContact O-N 3.5Å; S242-L245 VanDerWaalsContact O-N 3.11Å
243P71.7Confident83.7Confident27 Ų2751.7 Ų51.718%0.17527%0.266CS..THydrogen-bonded Turntrans-59.7-34.5-177.124.2-33.8000111.9F224 Y239 L245F224-P243 WeakPolarHBondContact CD1-O 3.35Å; F224-P243 WeakPolarHBondContact CE1-O 3.33Å; Y239-P243 HydrophobicContact CD2-CB 4.2Å; Y239-P243 HydrophobicContact CE2-CB 3.83Å; Y239-P243 WeakPolarHBondContact O-CD 3.29Å; P243-L245 VanDerWaalsContact C-N 3.31Å; P243-L245 PolarHBondContact O-N 3.34Å
244H77.5Confident84.4Confident165 Ų16549.7 Ų49.776%0.76426%0.258SS*.THydrogen-bonded Turntrans-75-16.3-178.6-52.1-52000114.5S242S242-H244 PolarHBondContact O-N 3.16Å
245L84.6Confident85.2Confident82 Ų8249.5 Ų49.543%0.42926%0.257SS..SBendtrans-13972.6-178.9-164.765.8000110.8S242 P243 R277S242-L245 CarbonylContact O-C 3.58Å; S242-L245 PolarHBondContact O-N 3.5Å; S242-L245 VanDerWaalsContact O-N 3.11Å; P243-L245 VanDerWaalsContact C-N 3.31Å; P243-L245 PolarHBondContact O-N 3.34Å; L245-R277 PolarHBondContact O-NH1 3.47Å; L245-R277 PolarHBondContact O-NH2 3.39Å; L245-R277 VanDerWaalsContact O-NH2 3.1Å
246P85.3Confident85.8Confident46 Ų4650.1 Ų50.130%0.29926%0.26SS..PPolyproline II helixtrans-55.1142.9178-24.333.8000111.8K248 R277P246-K248 PolarHBondContact O-N 2.94Å; P246-R277 PolarHBondContact O-NH2 3.11Å
247W90.3Very high86.6Confident5 Ų552.8 Ų52.82%0.01927%0.274CS..PPolyproline II helixtrans-70.4119.2177.7-78.678.7000110.8Q235 M238 E251 V252 F255 L274 R277 D281 L282 F285Q235-W247 HydrophobicContact CG-CB 4.47Å; Q235-W247 WeakPolarHBondContact CG-O 3.35Å; Q235-W247 PolarHBondContact NE2-O 3.11Å; M238-W247 HydrophobicContact CG-CG 4.4Å; W247-E251 HydrophobicContact CE3-CB 3.76Å; W247-E251 HydrophobicContact CZ3-CB 4.15Å; W247-V252 HydrophobicContact CB-CG2 4.07Å; W247-V252 HydrophobicContact CE3-CG2 4.48Å; W247-F255 HydrophobicContact CH2-CD2 4.18Å; W247-F255 HydrophobicContact CZ3-CB 4.13Å; W247-F255 HydrophobicContact CZ3-CD2 4.46Å; W247-L274 HydrophobicContact CH2-CD1 4.07Å; W247-L274 HydrophobicContact CZ3-CD1 3.84Å; W247-R277 HydrophobicContact CH2-CG 4.33Å; W247-D281 HydrophobicContact CZ2-CB 4.47Å; W247-L282 HydrophobicContact CH2-CD2 3.59Å; W247-L282 HydrophobicContact CZ2-CD2 4.26Å; W247-F285 HydrophobicContact CB-CE2 4.36Å; W247-F285 AromaticContact CD2-CD2 3.32Å; W247-F285 HydrophobicContact CD2-CD2 3.32Å; W247-F285 AromaticContact CD2-CE2 3.54Å; W247-F285 HydrophobicContact CD2-CE2 3.54Å; W247-F285 HydrophobicContact CD2-CG 4.27Å; W247-F285 AromaticContact CE2-CD2 3.25Å; W247-F285 AromaticContact CE2-CE2 3.99Å; W247-F285 AromaticContact CE2-CG 3.89Å; W247-F285 AromaticContact CE3-CD2 3.66Å; W247-F285 HydrophobicContact CE3-CD2 3.66Å; W247-F285 AromaticContact CE3-CE2 3.59Å; W247-F285 HydrophobicContact CE3-CE2 3.59Å; W247-F285 HydrophobicContact CE3-CG 4.39Å; W247-F285 HydrophobicContact CE3-CZ 4.28Å; W247-F285 AromaticContact CG-CD2 3.83Å; W247-F285 HydrophobicContact CG-CD2 3.83Å; W247-F285 AromaticContact CG-CE2 3.89Å; W247-F285 HydrophobicContact CG-CE2 3.89Å; W247-F285 HydrophobicContact CH2-CB 3.87Å; W247-F285 HydrophobicContact CH2-CD1 4.36Å; W247-F285 AromaticContact CH2-CD2 3.77Å; W247-F285 HydrophobicContact CH2-CD2 3.77Å; W247-F285 HydrophobicContact CH2-CE2 4.4Å; W247-F285 AromaticContact CH2-CG 3.74Å; W247-F285 HydrophobicContact CH2-CG 3.74Å; W247-F285 HydrophobicContact CZ2-CB 3.45Å; W247-F285 VanDerWaalsContact CZ2-CB 3.45Å; W247-F285 AromaticContact CZ2-CD2 3.51Å; W247-F285 HydrophobicContact CZ2-CD2 3.51Å; W247-F285 HydrophobicContact CZ2-CE2 4.42Å; W247-F285 AromaticContact CZ2-CG 3.64Å; W247-F285 HydrophobicContact CZ2-CG 3.64Å; W247-F285 AromaticContact CZ3-CD2 3.87Å; W247-F285 HydrophobicContact CZ3-CD2 3.87Å; W247-F285 HydrophobicContact CZ3-CE2 4.03Å; W247-F285 HydrophobicContact CZ3-CG 4.15Å; W247-F285 HydrophobicContact CZ3-CZ 4.45Å; W247-F285 AromaticContact NE1-CD2 3.69Å
248K90.9Very high87.3Confident133 Ų13350 Ų5058%0.57826%0.264SS*.PPolyproline II helixtrans-74.2151.1175.3-62.7177.7-177.5175.90110P246 Q250 E251 V252P246-K248 PolarHBondContact O-N 2.94Å; K248-Q250 PolarHBondContact O-N 2.88Å; K248-Q250 VanDerWaalsContact O-N 3.12Å; K248-E251 HydrophobicContact CB-CG 4.14Å; K248-E251 PolarHBondContact N-OE2 3.17Å; K248-E251 WeakPolarHBondContact O-CB 3.21Å; K248-E251 PolarHBondContact O-N 3.33Å; K248-V252 PolarHBondContact O-N 2.77Å
249P90.8Very high88.1Confident90 Ų9050.6 Ų50.658%0.58427%0.267SS*.Hα-helixtrans-55.5-34.5178.6-2634.2000113.5V252 A253P249-V252 PolarHBondContact O-N 2.75Å; P249-A253 PolarHBondContact O-N 2.87Å
250Q94.9Very high89.1Confident161 Ų16154.6 Ų54.675%0.75229%0.285SS*.Hα-helixtrans-66.4-38.6175.6-65.8173.2-6.900112.3K248 A253 A254K248-Q250 PolarHBondContact O-N 2.88Å; K248-Q250 VanDerWaalsContact O-N 3.12Å; Q250-A253 PolarHBondContact O-N 3.25Å; Q250-A254 VanDerWaalsContact O-CB 3.32Å; Q250-A254 WeakPolarHBondContact O-CB 3.22Å; Q250-A254 PolarHBondContact O-N 2.86Å
251E95.9Very high90.2Very high28 Ų2858 Ų5813%0.13130%0.299CS..Hα-helixtrans-69.7-39.3177.4-65.3177.1121.300111.2W247 K248 A254 F255 L274 R277W247-E251 HydrophobicContact CE3-CB 3.76Å; W247-E251 HydrophobicContact CZ3-CB 4.15Å; K248-E251 HydrophobicContact CB-CG 4.14Å; K248-E251 PolarHBondContact N-OE2 3.17Å; K248-E251 WeakPolarHBondContact O-CB 3.21Å; K248-E251 PolarHBondContact O-N 3.33Å; E251-A254 PolarHBondContact O-N 2.88Å; E251-F255 WeakPolarHBondContact O-CB 3.39Å; E251-F255 PolarHBondContact O-N 3.15Å; E251-L274 HydrophobicContact CB-CD2 3.8Å; E251-L274 HydrophobicContact CG-CD2 3.97Å; E251-R277 IonicContact OE1-CZ 3.23Å; E251-R277 IonicContact OE1-NE 2.84Å; E251-R277 PolarHBondContact OE1-NE 3.43Å; E251-R277 IonicContact OE1-NH2 2.93Å; E251-R277 PolarHBondContact OE1-NH2 3.37Å; E251-R277 IonicContact OE2-CZ 3.36Å; E251-R277 IonicContact OE2-NE 3.57Å; E251-R277 IonicContact OE2-NH2 3.67Å; E251-R277 PolarHBondContact OE2-NH2 3.19Å
252V95Very high91.2Very high4 Ų456.8 Ų56.82%0.02429%0.292CS..Hα-helixtrans-58.9-48.8173.1172.70000110.4I234 Q235 W247 K248 P249 A254 F255 E256 F285I234-V252 HydrophobicContact CG2-CG1 3.89Å; I234-V252 HydrophobicContact CG2-CG2 4.27Å; Q235-V252 HydrophobicContact CG-CG2 4.1Å; W247-V252 HydrophobicContact CB-CG2 4.07Å; W247-V252 HydrophobicContact CE3-CG2 4.48Å; K248-V252 PolarHBondContact O-N 2.77Å; P249-V252 PolarHBondContact O-N 2.75Å; V252-A254 VanDerWaalsContact C-N 3.35Å; V252-A254 PolarHBondContact O-N 3.09Å; V252-F255 PolarHBondContact O-N 3.3Å; V252-E256 WeakPolarHBondContact O-CG 3.31Å; V252-E256 PolarHBondContact O-N 3.09Å; V252-F285 HydrophobicContact CB-CZ 4.35Å; V252-F285 HydrophobicContact CG1-CZ 4.14Å; V252-F285 HydrophobicContact CG2-CE2 4Å; V252-F285 HydrophobicContact CG2-CZ 4.02Å
253A95.4Very high92.1Very high44 Ų4457 Ų5736%0.36430%0.297SS..Hα-helixtrans-63.5-39.9177.400000112.3P249 Q250 E256 N257P249-A253 PolarHBondContact O-N 2.87Å; Q250-A253 PolarHBondContact O-N 3.25Å; A253-E256 PolarHBondContact O-N 3.47Å; A253-N257 WeakPolarHBondContact O-CB 3.25Å; A253-N257 VanDerWaalsContact O-CG 3.23Å; A253-N257 PolarHBondContact O-N 3.27Å; A253-N257 PolarHBondContact O-ND2 2.98Å
254A97.6Very high93.2Very high21 Ų2162.4 Ų62.417%0.17432%0.317CS..Hα-helixtrans-63.5-42.1175.100000111.6Q250 E251 V252 N257 G258 M273 L274Q250-A254 VanDerWaalsContact O-CB 3.32Å; Q250-A254 WeakPolarHBondContact O-CB 3.22Å; Q250-A254 PolarHBondContact O-N 2.86Å; E251-A254 PolarHBondContact O-N 2.88Å; V252-A254 VanDerWaalsContact C-N 3.35Å; V252-A254 PolarHBondContact O-N 3.09Å; A254-N257 PolarHBondContact O-N 2.86Å; A254-G258 PolarHBondContact O-N 3.27Å; A254-M273 HydrophobicContact CB-CB 4.47Å; A254-M273 HydrophobicContact CB-CE 4.37Å; A254-M273 WeakPolarHBondContact O-CE 3.23Å; A254-M273 VanDerWaalsContact O-SD 3.4Å; A254-L274 HydrophobicContact CB-CD2 3.95Å; A254-L274 HydrophobicContact CB-CG 4.29Å
255F97.3Very high94.2Very high0 Ų058 Ų580%030%0.3CS..Hα-helixtrans-61.9-48.3174.8-174.7-89.1000111.8W247 E251 V252 N257 G258 L259 F266 I269 L274 L282 F285 H286 F289W247-F255 HydrophobicContact CH2-CD2 4.18Å; W247-F255 HydrophobicContact CZ3-CB 4.13Å; W247-F255 HydrophobicContact CZ3-CD2 4.46Å; E251-F255 WeakPolarHBondContact O-CB 3.39Å; E251-F255 PolarHBondContact O-N 3.15Å; V252-F255 PolarHBondContact O-N 3.3Å; F255-N257 VanDerWaalsContact C-N 3.3Å; F255-N257 PolarHBondContact O-N 3.31Å; F255-G258 PolarHBondContact O-N 3.43Å; F255-G258 VanDerWaalsContact O-N 3.15Å; F255-L259 HydrophobicContact CE1-CB 4.46Å; F255-L259 HydrophobicContact CE1-CD2 4.32Å; F255-L259 WeakPolarHBondContact O-CB 3.2Å; F255-L259 PolarHBondContact O-N 2.86Å; F255-F266 HydrophobicContact CE2-CD1 4.43Å; F255-F266 HydrophobicContact CE2-CE1 4.5Å; F255-F266 HydrophobicContact CZ-CE1 4.17Å; F255-I269 HydrophobicContact CD2-CG2 4.32Å; F255-L274 HydrophobicContact CB-CD1 3.81Å; F255-L274 HydrophobicContact CD2-CD1 3.98Å; F255-L274 HydrophobicContact CG-CD1 4.42Å; F255-L282 HydrophobicContact CD2-CD2 4.1Å; F255-L282 HydrophobicContact CE2-CB 4.21Å; F255-L282 HydrophobicContact CE2-CD2 4.35Å; F255-F285 HydrophobicContact CB-CD1 4.41Å; F255-F285 HydrophobicContact CB-CE1 4.03Å; F255-F285 AromaticContact CD1-CD1 3.38Å; F255-F285 HydrophobicContact CD1-CD1 3.38Å; F255-F285 AromaticContact CD1-CE1 3.21Å; F255-F285 HydrophobicContact CD1-CE1 3.21Å; F255-F285 HydrophobicContact CD1-CZ 4.36Å; F255-F285 AromaticContact CD2-CD1 3.91Å; F255-F285 HydrophobicContact CD2-CD1 3.91Å; F255-F285 HydrophobicContact CD2-CE1 4.35Å; F255-F285 AromaticContact CE1-CD1 3.43Å; F255-F285 HydrophobicContact CE1-CD1 3.43Å; F255-F285 VanDerWaalsContact CE1-CD1 3.43Å; F255-F285 AromaticContact CE1-CE1 3.67Å; F255-F285 HydrophobicContact CE1-CE1 3.67Å; F255-F285 AromaticContact CE2-CD1 3.96Å; F255-F285 HydrophobicContact CE2-CD1 3.96Å; F255-F285 AromaticContact CG-CD1 3.62Å; F255-F285 HydrophobicContact CG-CD1 3.62Å; F255-F285 AromaticContact CG-CE1 3.59Å; F255-F285 HydrophobicContact CG-CE1 3.59Å; F255-F285 AromaticContact CZ-CD1 3.73Å; F255-F285 HydrophobicContact CZ-CD1 3.73Å; F255-F285 HydrophobicContact CZ-CE1 4.4Å; F255-H286 HydrophobicContact CZ-CB 3.92Å; F255-F289 HydrophobicContact CD1-CD1 4.5Å; F255-F289 HydrophobicContact CE1-CD1 4.08Å
256E96.2Very high94.8Very high24 Ų2455.7 Ų55.711%0.11229%0.286CS..Hα-helixtrans-60.2-41.8178.8-73.6178.7-159.900111.9V252 A253 K260 F289 R294V252-E256 WeakPolarHBondContact O-CG 3.31Å; V252-E256 PolarHBondContact O-N 3.09Å; A253-E256 PolarHBondContact O-N 3.47Å; E256-K260 WeakPolarHBondContact O-CB 3.37Å; E256-K260 VanDerWaalsContact O-CG 3.27Å; E256-K260 WeakPolarHBondContact O-CG 3.25Å; E256-K260 PolarHBondContact O-N 3.39Å; E256-F289 HydrophobicContact CG-CE1 4.23Å; E256-F289 HydrophobicContact CG-CE2 4.23Å; E256-F289 HydrophobicContact CG-CZ 3.7Å; E256-R294 WeakPolarHBondContact OE1-CD 3.37Å; E256-R294 IonicContact OE1-CZ 3.26Å; E256-R294 IonicContact OE1-NE 3.61Å; E256-R294 IonicContact OE1-NH1 3.81Å; E256-R294 PolarHBondContact OE1-NH1 3.38Å
257N96.7Very high95.4Very high68 Ų6854.9 Ų54.936%0.36429%0.286SS..Hα-helixtrans-65.9-41.5174.6-72.9-24000111.5A253 A254 F255 L259 K260 M261 M273A253-N257 WeakPolarHBondContact O-CB 3.25Å; A253-N257 VanDerWaalsContact O-CG 3.23Å; A253-N257 PolarHBondContact O-N 3.27Å; A253-N257 PolarHBondContact O-ND2 2.98Å; A254-N257 PolarHBondContact O-N 2.86Å; F255-N257 VanDerWaalsContact C-N 3.3Å; F255-N257 PolarHBondContact O-N 3.31Å; N257-L259 PolarHBondContact O-N 3.42Å; N257-K260 CarbonylContact O-C 2.97Å; N257-K260 WeakPolarHBondContact O-CB 2.99Å; N257-K260 PolarHBondContact O-N 3.02Å; N257-M261 WeakPolarHBondContact O-CB 3.24Å; N257-M261 VanDerWaalsContact O-CG 3.3Å; N257-M261 WeakPolarHBondContact O-CG 3.16Å; N257-M261 PolarHBondContact O-N 3.41Å; N257-M273 HydrophobicContact CB-CE 3.78Å
258G97.3Very high95.8Very high0 Ų059.7 Ų59.70%031%0.307CS..Hα-helixtrans-62.5-42.8176.100000112.5A254 F255 K260 M261 Y262 M273A254-G258 PolarHBondContact O-N 3.27Å; F255-G258 PolarHBondContact O-N 3.43Å; F255-G258 VanDerWaalsContact O-N 3.15Å; G258-K260 VanDerWaalsContact C-N 3.32Å; G258-K260 PolarHBondContact O-N 3.47Å; G258-M261 PolarHBondContact O-N 3.23Å; G258-Y262 WeakPolarHBondContact O-CD2 3.07Å; G258-Y262 PolarHBondContact O-N 2.87Å; G258-M273 WeakPolarHBondContact CA-SD 3.4Å; G258-M273 PolarHBondContact N-SD 3.01Å
259L96.5Very high96.2Very high16 Ų1653.3 Ų53.38%0.08428%0.279CS..Hα-helixtrans-64-39.2174.9-165.573.6000111.2F255 N257 G263 F266 F289 Y295 L298F255-L259 HydrophobicContact CE1-CB 4.46Å; F255-L259 HydrophobicContact CE1-CD2 4.32Å; F255-L259 WeakPolarHBondContact O-CB 3.2Å; F255-L259 PolarHBondContact O-N 2.86Å; N257-L259 PolarHBondContact O-N 3.42Å; L259-G263 WeakPolarHBondContact CD1-O 3.38Å; L259-G263 VanDerWaalsContact O-CA 3.22Å; L259-G263 WeakPolarHBondContact O-CA 3.32Å; L259-G263 PolarHBondContact O-N 3.4Å; L259-F266 HydrophobicContact CD1-CE1 4.47Å; L259-F289 HydrophobicContact CD2-CD1 4.03Å; L259-F289 HydrophobicContact CD2-CE1 3.76Å; L259-Y295 HydrophobicContact CD2-CD2 4.46Å; L259-Y295 HydrophobicContact CD2-CE2 4.17Å; L259-L298 HydrophobicContact CD2-CD1 3.82Å
260K94.9Very high96.5Very high91 Ų9152.1 Ų52.140%0.39627%0.265SS..Hα-helixtrans-67.4-32.5173.9-75.4172.2-172.3169.50113.1E256 N257 G258 L298 R301E256-K260 WeakPolarHBondContact O-CB 3.37Å; E256-K260 VanDerWaalsContact O-CG 3.27Å; E256-K260 WeakPolarHBondContact O-CG 3.25Å; E256-K260 PolarHBondContact O-N 3.39Å; N257-K260 CarbonylContact O-C 2.97Å; N257-K260 WeakPolarHBondContact O-CB 2.99Å; N257-K260 PolarHBondContact O-N 3.02Å; G258-K260 VanDerWaalsContact C-N 3.32Å; G258-K260 PolarHBondContact O-N 3.47Å; K260-L298 HydrophobicContact CD-CD2 4.19Å; K260-L298 HydrophobicContact CG-CD2 3.95Å; K260-R301 PolarHBondContact O-NE 3.41Å; K260-R301 PolarHBondContact O-NH2 2.87Å
261M95.3Very high96.7Very high106 Ų10649.6 Ų49.652%0.52226%0.257SS..Hα-helixtrans-87.1-56.2-177.7-70.9-178.3-165.700111.6N257 G258 R301N257-M261 WeakPolarHBondContact O-CB 3.24Å; N257-M261 VanDerWaalsContact O-CG 3.3Å; N257-M261 WeakPolarHBondContact O-CG 3.16Å; N257-M261 PolarHBondContact O-N 3.41Å; G258-M261 PolarHBondContact O-N 3.23Å; M261-R301 PolarHBondContact O-NH1 3.45Å; M261-R301 PolarHBondContact O-NH2 3.47Å
262Y96Very high96.8Very high67 Ų6753.8 Ų53.826%0.26328%0.276SS..Hα-helixtrans-99.6-2.9-170.3-48.7-70.6000114G258 N265 K268 I269 E272 M273G258-Y262 WeakPolarHBondContact O-CD2 3.07Å; G258-Y262 PolarHBondContact O-N 2.87Å; Y262-N265 WeakPolarHBondContact O-CB 3.37Å; Y262-N265 PolarHBondContact O-N 3.03Å; Y262-K268 HydrophobicContact CD1-CB 4.18Å; Y262-K268 HydrophobicContact CD1-CD 4.03Å; Y262-K268 HydrophobicContact CG-CB 4.1Å; Y262-I269 HydrophobicContact CD2-CG1 3.9Å; Y262-E272 PolarHBondContact OH-OE2 3.34Å; Y262-M273 HydrophobicContact CE2-CG 4.11Å; Y262-M273 HydrophobicContact CE2-SD 3.88Å
263G94.2Very high97Very high19 Ų1956 Ų5620%0.19629%0.287CS..THydrogen-bonded Turntrans65-143.5-174.600000111.3L259 N265L259-G263 WeakPolarHBondContact CD1-O 3.38Å; L259-G263 VanDerWaalsContact O-CA 3.22Å; L259-G263 WeakPolarHBondContact O-CA 3.32Å; L259-G263 PolarHBondContact O-N 3.4Å; G263-N265 PolarHBondContact O-N 2.94Å; G263-N265 VanDerWaalsContact O-N 3.13Å
264K95.8Very high97.1Very high141 Ų14154.3 Ų54.361%0.61327%0.272SS*.THydrogen-bonded Turntrans-7918.9179.1-59.2177.7-175168.40113.6F266K264-F266 VanDerWaalsContact C-N 3.28Å; K264-F266 HydrophobicContact CB-CE2 4.27Å; K264-F266 HydrophobicContact CB-CZ 4.16Å; K264-F266 WeakPolarHBondContact O-CD2 3.33Å; K264-F266 PolarHBondContact O-N 2.96Å
265N96.8Very high97.1Very high73 Ų7357.4 Ų57.439%0.3929%0.29SS..  trans-81.277.8175.4-168.1-30.3000110.1Y262 G263 G267 K268 I269Y262-N265 WeakPolarHBondContact O-CB 3.37Å; Y262-N265 PolarHBondContact O-N 3.03Å; G263-N265 PolarHBondContact O-N 2.94Å; G263-N265 VanDerWaalsContact O-N 3.13Å; N265-G267 PolarHBondContact O-N 3.06Å; N265-K268 HydrophobicContact CB-CB 4.43Å; N265-K268 PolarHBondContact O-N 3.15Å; N265-K268 PolarHBondContact OD1-N 3.42Å; N265-K268 VanDerWaalsContact OD1-N 3.1Å; N265-I269 WeakPolarHBondContact O-CG1 3.22Å; N265-I269 PolarHBondContact O-N 3.45Å; N265-I269 VanDerWaalsContact O-N 3.14Å
266F97.9Very high97Very high33 Ų3364 Ų6415%0.14533%0.325CS..Hα-helixtrans-63.4-26.6-176.9-55.2-62.8000113.2F255 L259 K264 I269 K270 L279 L282 T283 H286F255-F266 HydrophobicContact CE2-CD1 4.43Å; F255-F266 HydrophobicContact CE2-CE1 4.5Å; F255-F266 HydrophobicContact CZ-CE1 4.17Å; L259-F266 HydrophobicContact CD1-CE1 4.47Å; K264-F266 VanDerWaalsContact C-N 3.28Å; K264-F266 HydrophobicContact CB-CE2 4.27Å; K264-F266 HydrophobicContact CB-CZ 4.16Å; K264-F266 WeakPolarHBondContact O-CD2 3.33Å; K264-F266 PolarHBondContact O-N 2.96Å; F266-I269 HydrophobicContact CD1-CD1 4.29Å; F266-I269 PolarHBondContact O-N 2.85Å; F266-K270 WeakPolarHBondContact O-CB 3.28Å; F266-K270 PolarHBondContact O-N 2.9Å; F266-L279 HydrophobicContact CB-CD1 3.51Å; F266-L282 HydrophobicContact CB-CB 4.48Å; F266-L282 WeakPolarHBondContact O-CD1 3.3Å; F266-T283 HydrophobicContact CD2-CG2 3.71Å; F266-T283 HydrophobicContact CE2-CG2 4.02Å; F266-T283 HydrophobicContact CG-CG2 4.2Å; F266-H286 HydrophobicContact CE1-CB 3.77Å; F266-H286 AromaticContact CE1-CG 3.79Å; F266-H286 HydrophobicContact CZ-CB 3.81Å; F266-H286 AromaticContact CZ-CD2 3.63Å; F266-H286 AromaticContact CZ-CG 3.56Å
267G98.2Very high97Very high28 Ų2863 Ų6329%0.28932%0.32SS..Hα-helixtrans-60.8-50.617300000111.8N265 I269 K270 D271N265-G267 PolarHBondContact O-N 3.06Å; G267-I269 PolarHBondContact O-N 3.45Å; G267-K270 WeakPolarHBondContact O-CB 3.48Å; G267-K270 PolarHBondContact O-N 2.94Å; G267-D271 VanDerWaalsContact O-CG 3.29Å; G267-D271 PolarHBondContact O-N 3.28Å
268K98.4Very high96.9Very high106 Ų10663.3 Ų63.346%0.46133%0.325SS..Hα-helixtrans-63.7-40.7175.5-73.1-169.9178.1-169.40112.9Y262 N265 K270 D271 E272Y262-K268 HydrophobicContact CD1-CB 4.18Å; Y262-K268 HydrophobicContact CD1-CD 4.03Å; Y262-K268 HydrophobicContact CG-CB 4.1Å; N265-K268 HydrophobicContact CB-CB 4.43Å; N265-K268 PolarHBondContact O-N 3.15Å; N265-K268 PolarHBondContact OD1-N 3.42Å; N265-K268 VanDerWaalsContact OD1-N 3.1Å; K268-K270 VanDerWaalsContact C-N 3.32Å; K268-K270 PolarHBondContact O-N 2.89Å; K268-D271 PolarHBondContact O-N 3.39Å; K268-E272 WeakPolarHBondContact O-CB 3.34Å; K268-E272 PolarHBondContact O-N 2.72Å
269I98.4Very high96.9Very high0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-61.1-44177.3-64.2170.8000110.5F255 Y262 N265 F266 G267 M273 L274 L282F255-I269 HydrophobicContact CD2-CG2 4.32Å; Y262-I269 HydrophobicContact CD2-CG1 3.9Å; N265-I269 WeakPolarHBondContact O-CG1 3.22Å; N265-I269 PolarHBondContact O-N 3.45Å; N265-I269 VanDerWaalsContact O-N 3.14Å; F266-I269 HydrophobicContact CD1-CD1 4.29Å; F266-I269 PolarHBondContact O-N 2.85Å; G267-I269 PolarHBondContact O-N 3.45Å; I269-M273 WeakPolarHBondContact O-CA 3.31Å; I269-M273 WeakPolarHBondContact O-CB 3.42Å; I269-M273 PolarHBondContact O-N 3.41Å; I269-L274 HydrophobicContact CG2-CD1 4.21Å; I269-L274 PolarHBondContact O-N 3.26Å; I269-L282 HydrophobicContact CB-CD1 4.38Å; I269-L282 HydrophobicContact CG2-CD1 4.17Å
270K98.4Very high96.8Very high64 Ų6469.5 Ų69.528%0.27837%0.365SS..Hα-helixtrans-58.4-55.6174.7179.7178.2150.6-76.20110.6F266 G267 K268 E272 L274 P275 R277 L282F266-K270 WeakPolarHBondContact O-CB 3.28Å; F266-K270 PolarHBondContact O-N 2.9Å; G267-K270 WeakPolarHBondContact O-CB 3.48Å; G267-K270 PolarHBondContact O-N 2.94Å; K268-K270 VanDerWaalsContact C-N 3.32Å; K268-K270 PolarHBondContact O-N 2.89Å; K270-E272 PolarHBondContact O-N 3.23Å; K270-L274 CarbonylContact O-C 3.53Å; K270-L274 PolarHBondContact O-N 2.96Å; K270-P275 WeakPolarHBondContact O-CA 3.46Å; K270-R277 WeakPolarHBondContact CD-O 3.45Å; K270-R277 WeakPolarHBondContact CG-O 3.49Å; K270-L282 HydrophobicContact CB-CD1 3.6Å; K270-L282 HydrophobicContact CG-CD1 4.48Å
271D98.4Very high96.8Very high109 Ų10966.5 Ų66.558%0.58335%0.353SS*.Hα-helixtrans-71-33-169.3-62.8-19000112.7G267 K268G267-D271 VanDerWaalsContact O-CG 3.29Å; G267-D271 PolarHBondContact O-N 3.28Å; K268-D271 PolarHBondContact O-N 3.39Å
272E98.4Very high96.8Very high116 Ų11661.5 Ų61.554%0.54233%0.328SS..Hα-helixtrans-98.1-29.2-176.4-62.9-175.8-141.700114.3Y262 K268 K270Y262-E272 PolarHBondContact OH-OE2 3.34Å; K268-E272 WeakPolarHBondContact O-CB 3.34Å; K268-E272 PolarHBondContact O-N 2.72Å; K270-E272 PolarHBondContact O-N 3.23Å
273M98Very high96.8Very high51 Ų5160.2 Ų60.225%0.25133%0.328SS..Hα-helixtrans-121.9-32.8-170.8-54.2-160.275.400114.4A254 N257 G258 Y262 I269A254-M273 HydrophobicContact CB-CB 4.47Å; A254-M273 HydrophobicContact CB-CE 4.37Å; A254-M273 WeakPolarHBondContact O-CE 3.23Å; A254-M273 VanDerWaalsContact O-SD 3.4Å; N257-M273 HydrophobicContact CB-CE 3.78Å; G258-M273 WeakPolarHBondContact CA-SD 3.4Å; G258-M273 PolarHBondContact N-SD 3.01Å; Y262-M273 HydrophobicContact CE2-CG 4.11Å; Y262-M273 HydrophobicContact CE2-SD 3.88Å; I269-M273 WeakPolarHBondContact O-CA 3.31Å; I269-M273 WeakPolarHBondContact O-CB 3.42Å; I269-M273 PolarHBondContact O-N 3.41Å
274L97.8Very high96.7Very high8 Ų862 Ų624%0.04233%0.333CS..  trans-135.859.9-172.8-67.9171.7000111.9W247 E251 A254 F255 I269 K270 N276 R277 L282W247-L274 HydrophobicContact CH2-CD1 4.07Å; W247-L274 HydrophobicContact CZ3-CD1 3.84Å; E251-L274 HydrophobicContact CB-CD2 3.8Å; E251-L274 HydrophobicContact CG-CD2 3.97Å; A254-L274 HydrophobicContact CB-CD2 3.95Å; A254-L274 HydrophobicContact CB-CG 4.29Å; F255-L274 HydrophobicContact CB-CD1 3.81Å; F255-L274 HydrophobicContact CD2-CD1 3.98Å; F255-L274 HydrophobicContact CG-CD1 4.42Å; I269-L274 HydrophobicContact CG2-CD1 4.21Å; I269-L274 PolarHBondContact O-N 3.26Å; K270-L274 CarbonylContact O-C 3.53Å; K270-L274 PolarHBondContact O-N 2.96Å; L274-N276 PolarHBondContact O-N 3.44Å; L274-N276 VanDerWaalsContact O-N 3.16Å; L274-R277 HydrophobicContact CB-CB 4.26Å; L274-R277 HydrophobicContact CB-CG 4.26Å; L274-R277 PolarHBondContact O-N 2.96Å; L274-R277 VanDerWaalsContact O-N 3.09Å; L274-L282 HydrophobicContact CB-CD2 4.17Å; L274-L282 HydrophobicContact CD1-CD2 3.62Å
275P97.6Very high96.6Very high85 Ų8555.3 Ų55.355%0.55230%0.304SS*.THydrogen-bonded Turntrans-66.4-21.7-173.426.1-35.7000113.4K270 R277K270-P275 WeakPolarHBondContact O-CA 3.46Å; P275-R277 VanDerWaalsContact C-N 3.3Å
276N95.7Very high96.6Very high139 Ų13952.1 Ų52.174%0.74329%0.287SS*.THydrogen-bonded Turntrans-83.2-4.7179.3-59.2-31.3000113.3L274L274-N276 PolarHBondContact O-N 3.44Å; L274-N276 VanDerWaalsContact O-N 3.16Å
277R95.9Very high96.4Very high4 Ų457.7 Ų57.72%0.01531%0.308CS..SBendtrans-103.6141.7179.8-65.5-64.3-177.8163.4-2.7110.3L245 P246 W247 E251 K270 L274 P275 L282L245-R277 PolarHBondContact O-NH1 3.47Å; L245-R277 PolarHBondContact O-NH2 3.39Å; L245-R277 VanDerWaalsContact O-NH2 3.1Å; P246-R277 PolarHBondContact O-NH2 3.11Å; W247-R277 HydrophobicContact CH2-CG 4.33Å; E251-R277 IonicContact OE1-CZ 3.23Å; E251-R277 IonicContact OE1-NE 2.84Å; E251-R277 PolarHBondContact OE1-NE 3.43Å; E251-R277 IonicContact OE1-NH2 2.93Å; E251-R277 PolarHBondContact OE1-NH2 3.37Å; E251-R277 IonicContact OE2-CZ 3.36Å; E251-R277 IonicContact OE2-NE 3.57Å; E251-R277 IonicContact OE2-NH2 3.67Å; E251-R277 PolarHBondContact OE2-NH2 3.19Å; K270-R277 WeakPolarHBondContact CD-O 3.45Å; K270-R277 WeakPolarHBondContact CG-O 3.49Å; L274-R277 HydrophobicContact CB-CB 4.26Å; L274-R277 HydrophobicContact CB-CG 4.26Å; L274-R277 PolarHBondContact O-N 2.96Å; L274-R277 VanDerWaalsContact O-N 3.09Å; P275-R277 VanDerWaalsContact C-N 3.3Å; R277-L282 HydrophobicContact CB-CD2 3.72Å; R277-L282 HydrophobicContact CB-CG 4.31Å; R277-L282 HydrophobicContact CG-CD2 4.32Å
278T95.5Very high96Very high74 Ų7458.1 Ų58.145%0.45430%0.302SS..  trans-75.7158.5174.672.30000110.2A280 D281 L282T278-A280 PolarHBondContact O-N 3.26Å; T278-D281 WeakPolarHBondContact CB-OD2 3.41Å; T278-D281 PolarHBondContact N-OD2 2.92Å; T278-D281 VanDerWaalsContact N-OD2 3.09Å; T278-D281 PolarHBondContact O-N 3.48Å; T278-D281 PolarHBondContact OG1-N 3.25Å; T278-D281 PolarHBondContact OG1-OD1 2.91Å; T278-D281 PolarHBondContact OG1-OD2 3.37Å; T278-L282 WeakPolarHBondContact O-CG 3.23Å; T278-L282 PolarHBondContact O-N 3.3Å; T278-L282 VanDerWaalsContact O-N 3.17Å
279L96.6Very high95.8Very high90 Ų9053.1 Ų53.147%0.47128%0.28SS..Hα-helixtrans-59.3-36.3176.1-171.466000111.3F266 L282 T283F266-L279 HydrophobicContact CB-CD1 3.51Å; L279-L282 PolarHBondContact O-N 2.93Å; L279-T283 PolarHBondContact O-N 3.33Å; L279-T283 PolarHBondContact O-OG1 3.22Å; L279-T283 VanDerWaalsContact O-OG1 3.14Å
280A94.7Very high95.5Very high55 Ų5556.4 Ų56.446%0.45530%0.295SS..Hα-helixtrans-61.6-44.7176.600000111.8T278 L282 T283 N284T278-A280 PolarHBondContact O-N 3.26Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 3.39Å; A280-T283 WeakPolarHBondContact CA-OG1 3.49Å; A280-T283 PolarHBondContact O-N 3.32Å; A280-T283 PolarHBondContact O-OG1 2.67Å; A280-N284 WeakPolarHBondContact O-CB 3.26Å; A280-N284 VanDerWaalsContact O-CG 3.3Å; A280-N284 PolarHBondContact O-N 2.89Å; A280-N284 PolarHBondContact O-ND2 3.49Å
281D94Very high95.2Very high29 Ų2958.1 Ų58.116%0.15531%0.306CS..Hα-helixtrans-61.8-42.8177.3-57-34000111.3W247 T278 T283 N284 F285W247-D281 HydrophobicContact CZ2-CB 4.47Å; T278-D281 WeakPolarHBondContact CB-OD2 3.41Å; T278-D281 PolarHBondContact N-OD2 2.92Å; T278-D281 VanDerWaalsContact N-OD2 3.09Å; T278-D281 PolarHBondContact O-N 3.48Å; T278-D281 PolarHBondContact OG1-N 3.25Å; T278-D281 PolarHBondContact OG1-OD1 2.91Å; T278-D281 PolarHBondContact OG1-OD2 3.37Å; D281-T283 PolarHBondContact O-N 3.39Å; D281-N284 PolarHBondContact O-N 3.38Å; D281-F285 VanDerWaalsContact O-CB 3.29Å; D281-F285 WeakPolarHBondContact O-CB 3.26Å; D281-F285 PolarHBondContact O-N 3.39Å
282L96.2Very high94.8Very high0 Ų053.2 Ų53.20%028%0.28CS..Hα-helixtrans-63.4-41.6178-62.2-167.4000111.9W247 F255 F266 I269 K270 L274 R277 T278 L279 A280 H286W247-L282 HydrophobicContact CH2-CD2 3.59Å; W247-L282 HydrophobicContact CZ2-CD2 4.26Å; F255-L282 HydrophobicContact CD2-CD2 4.1Å; F255-L282 HydrophobicContact CE2-CB 4.21Å; F255-L282 HydrophobicContact CE2-CD2 4.35Å; F266-L282 HydrophobicContact CB-CB 4.48Å; F266-L282 WeakPolarHBondContact O-CD1 3.3Å; I269-L282 HydrophobicContact CB-CD1 4.38Å; I269-L282 HydrophobicContact CG2-CD1 4.17Å; K270-L282 HydrophobicContact CB-CD1 3.6Å; K270-L282 HydrophobicContact CG-CD1 4.48Å; L274-L282 HydrophobicContact CB-CD2 4.17Å; L274-L282 HydrophobicContact CD1-CD2 3.62Å; R277-L282 HydrophobicContact CB-CD2 3.72Å; R277-L282 HydrophobicContact CB-CG 4.31Å; R277-L282 HydrophobicContact CG-CD2 4.32Å; T278-L282 WeakPolarHBondContact O-CG 3.23Å; T278-L282 PolarHBondContact O-N 3.3Å; T278-L282 VanDerWaalsContact O-N 3.17Å; L279-L282 PolarHBondContact O-N 2.93Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 3.39Å; L282-H286 PolarHBondContact O-N 2.9Å
283T95.7Very high94.4Very high40 Ų4052.5 Ų52.525%0.24528%0.28CS..Hα-helixtrans-67.5-42.1177.247.10000111.9F266 L279 A280 D281 H286 Y287F266-T283 HydrophobicContact CD2-CG2 3.71Å; F266-T283 HydrophobicContact CE2-CG2 4.02Å; F266-T283 HydrophobicContact CG-CG2 4.2Å; L279-T283 PolarHBondContact O-N 3.33Å; L279-T283 PolarHBondContact O-OG1 3.22Å; L279-T283 VanDerWaalsContact O-OG1 3.14Å; A280-T283 WeakPolarHBondContact CA-OG1 3.49Å; A280-T283 PolarHBondContact O-N 3.32Å; A280-T283 PolarHBondContact O-OG1 2.67Å; D281-T283 PolarHBondContact O-N 3.39Å; T283-H286 WeakPolarHBondContact O-CB 3.42Å; T283-H286 PolarHBondContact O-N 3.28Å; T283-Y287 WeakPolarHBondContact O-CD2 3.3Å; T283-Y287 PolarHBondContact O-N 3.35Å
284N92.2Very high94.1Very high58 Ų5854.8 Ų54.831%0.3129%0.286SS..Hα-helixtrans-63.2-44.2176.4-73.1-19.3000110.9A280 D281 H286 Y287 Q288A280-N284 WeakPolarHBondContact O-CB 3.26Å; A280-N284 VanDerWaalsContact O-CG 3.3Å; A280-N284 PolarHBondContact O-N 2.89Å; A280-N284 PolarHBondContact O-ND2 3.49Å; D281-N284 PolarHBondContact O-N 3.38Å; N284-H286 VanDerWaalsContact C-N 3.31Å; N284-H286 PolarHBondContact O-N 2.89Å; N284-Y287 PolarHBondContact O-N 3.44Å; N284-Q288 PolarHBondContact O-N 2.87Å; N284-Q288 VanDerWaalsContact O-N 3.12Å
285F94.5Very high93.8Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-57.9-43.4173.4-173.6-81.3000112I234 M238 W247 V252 F255 D281 Y287 Q288 F289I234-F285 HydrophobicContact CD1-CD1 4.24Å; I234-F285 HydrophobicContact CD1-CD2 4.38Å; I234-F285 HydrophobicContact CD1-CE1 3.47Å; I234-F285 VanDerWaalsContact CD1-CE1 3.47Å; I234-F285 HydrophobicContact CD1-CE2 3.66Å; I234-F285 HydrophobicContact CD1-CZ 3.15Å; I234-F285 HydrophobicContact CG1-CD2 4.36Å; I234-F285 HydrophobicContact CG1-CE1 4.33Å; I234-F285 HydrophobicContact CG1-CE2 3.6Å; I234-F285 HydrophobicContact CG1-CZ 3.59Å; M238-F285 HydrophobicContact CG-CD2 3.56Å; M238-F285 HydrophobicContact CG-CE2 4.03Å; M238-F285 HydrophobicContact CG-CG 4.5Å; M238-F285 WeakPolarHBondContact SD-CA 3.45Å; M238-F285 HydrophobicContact SD-CB 3.6Å; M238-F285 HydrophobicContact SD-CD2 3.42Å; M238-F285 WeakPolarHBondContact SD-CD2 3.4Å; M238-F285 HydrophobicContact SD-CE2 4.44Å; M238-F285 HydrophobicContact SD-CG 3.89Å; W247-F285 HydrophobicContact CB-CE2 4.36Å; W247-F285 AromaticContact CD2-CD2 3.32Å; W247-F285 HydrophobicContact CD2-CD2 3.32Å; W247-F285 AromaticContact CD2-CE2 3.54Å; W247-F285 HydrophobicContact CD2-CE2 3.54Å; W247-F285 HydrophobicContact CD2-CG 4.27Å; W247-F285 AromaticContact CE2-CD2 3.25Å; W247-F285 AromaticContact CE2-CE2 3.99Å; W247-F285 AromaticContact CE2-CG 3.89Å; W247-F285 AromaticContact CE3-CD2 3.66Å; W247-F285 HydrophobicContact CE3-CD2 3.66Å; W247-F285 AromaticContact CE3-CE2 3.59Å; W247-F285 HydrophobicContact CE3-CE2 3.59Å; W247-F285 HydrophobicContact CE3-CG 4.39Å; W247-F285 HydrophobicContact CE3-CZ 4.28Å; W247-F285 AromaticContact CG-CD2 3.83Å; W247-F285 HydrophobicContact CG-CD2 3.83Å; W247-F285 AromaticContact CG-CE2 3.89Å; W247-F285 HydrophobicContact CG-CE2 3.89Å; W247-F285 HydrophobicContact CH2-CB 3.87Å; W247-F285 HydrophobicContact CH2-CD1 4.36Å; W247-F285 AromaticContact CH2-CD2 3.77Å; W247-F285 HydrophobicContact CH2-CD2 3.77Å; W247-F285 HydrophobicContact CH2-CE2 4.4Å; W247-F285 AromaticContact CH2-CG 3.74Å; W247-F285 HydrophobicContact CH2-CG 3.74Å; W247-F285 HydrophobicContact CZ2-CB 3.45Å; W247-F285 VanDerWaalsContact CZ2-CB 3.45Å; W247-F285 AromaticContact CZ2-CD2 3.51Å; W247-F285 HydrophobicContact CZ2-CD2 3.51Å; W247-F285 HydrophobicContact CZ2-CE2 4.42Å; W247-F285 AromaticContact CZ2-CG 3.64Å; W247-F285 HydrophobicContact CZ2-CG 3.64Å; W247-F285 AromaticContact CZ3-CD2 3.87Å; W247-F285 HydrophobicContact CZ3-CD2 3.87Å; W247-F285 HydrophobicContact CZ3-CE2 4.03Å; W247-F285 HydrophobicContact CZ3-CG 4.15Å; W247-F285 HydrophobicContact CZ3-CZ 4.45Å; W247-F285 AromaticContact NE1-CD2 3.69Å; V252-F285 HydrophobicContact CB-CZ 4.35Å; V252-F285 HydrophobicContact CG1-CZ 4.14Å; V252-F285 HydrophobicContact CG2-CE2 4Å; V252-F285 HydrophobicContact CG2-CZ 4.02Å; F255-F285 HydrophobicContact CB-CD1 4.41Å; F255-F285 HydrophobicContact CB-CE1 4.03Å; F255-F285 AromaticContact CD1-CD1 3.38Å; F255-F285 HydrophobicContact CD1-CD1 3.38Å; F255-F285 AromaticContact CD1-CE1 3.21Å; F255-F285 HydrophobicContact CD1-CE1 3.21Å; F255-F285 HydrophobicContact CD1-CZ 4.36Å; F255-F285 AromaticContact CD2-CD1 3.91Å; F255-F285 HydrophobicContact CD2-CD1 3.91Å; F255-F285 HydrophobicContact CD2-CE1 4.35Å; F255-F285 AromaticContact CE1-CD1 3.43Å; F255-F285 HydrophobicContact CE1-CD1 3.43Å; F255-F285 VanDerWaalsContact CE1-CD1 3.43Å; F255-F285 AromaticContact CE1-CE1 3.67Å; F255-F285 HydrophobicContact CE1-CE1 3.67Å; F255-F285 AromaticContact CE2-CD1 3.96Å; F255-F285 HydrophobicContact CE2-CD1 3.96Å; F255-F285 AromaticContact CG-CD1 3.62Å; F255-F285 HydrophobicContact CG-CD1 3.62Å; F255-F285 AromaticContact CG-CE1 3.59Å; F255-F285 HydrophobicContact CG-CE1 3.59Å; F255-F285 AromaticContact CZ-CD1 3.73Å; F255-F285 HydrophobicContact CZ-CD1 3.73Å; F255-F285 HydrophobicContact CZ-CE1 4.4Å; D281-F285 VanDerWaalsContact O-CB 3.29Å; D281-F285 WeakPolarHBondContact O-CB 3.26Å; D281-F285 PolarHBondContact O-N 3.39Å; F285-Y287 VanDerWaalsContact C-N 3.33Å; F285-Y287 PolarHBondContact O-N 2.93Å; F285-Q288 PolarHBondContact O-N 3.43Å; F285-F289 HydrophobicContact CD1-CB 4.23Å; F285-F289 HydrophobicContact CE1-CB 4.1Å; F285-F289 HydrophobicContact CE1-CG 4.28Å; F285-F289 WeakPolarHBondContact O-CB 3.5Å; F285-F289 PolarHBondContact O-N 3.28Å
286H95.3Very high93.5Very high6 Ų660.9 Ų60.93%0.02830%0.302CS..Hα-helixtrans-57.4-44.8177.3-176.359.1000112.8F255 F266 L282 T283 N284 F289 K290F255-H286 HydrophobicContact CZ-CB 3.92Å; F266-H286 HydrophobicContact CE1-CB 3.77Å; F266-H286 AromaticContact CE1-CG 3.79Å; F266-H286 HydrophobicContact CZ-CB 3.81Å; F266-H286 AromaticContact CZ-CD2 3.63Å; F266-H286 AromaticContact CZ-CG 3.56Å; L282-H286 PolarHBondContact O-N 2.9Å; T283-H286 WeakPolarHBondContact O-CB 3.42Å; T283-H286 PolarHBondContact O-N 3.28Å; N284-H286 VanDerWaalsContact C-N 3.31Å; N284-H286 PolarHBondContact O-N 2.89Å; H286-F289 PolarHBondContact O-N 2.94Å; H286-K290 WeakPolarHBondContact NE2-CE 3.4Å; H286-K290 WeakPolarHBondContact O-CG 3.42Å; H286-K290 PolarHBondContact O-N 3.41Å
287Y93.6Very high93.3Very high149 Ų14961.6 Ų61.658%0.58430%0.303SS*.Hα-helixtrans-66.5-41.8-179.8-75.3-65.7000112.3T283 N284 F285T283-Y287 WeakPolarHBondContact O-CD2 3.3Å; T283-Y287 PolarHBondContact O-N 3.35Å; N284-Y287 PolarHBondContact O-N 3.44Å; F285-Y287 VanDerWaalsContact C-N 3.33Å; F285-Y287 PolarHBondContact O-N 2.93Å
288Q91.6Very high93Very high38 Ų3862.8 Ų62.818%0.17831%0.309CS..Hα-helixtrans-70.2-36.5175.5-65.3-58.4-2600112R237 M238 F241 N284 F285 K290 L291R237-Q288 HydrophobicContact CB-CB 4.33Å; M238-Q288 HydrophobicContact CE-CB 3.49Å; M238-Q288 VanDerWaalsContact CE-CB 3.49Å; M238-Q288 HydrophobicContact CE-CG 3.19Å; F241-Q288 HydrophobicContact CD2-CG 4.25Å; F241-Q288 HydrophobicContact CE2-CG 3.85Å; F241-Q288 VanDerWaalsContact CZ-NE2 3.34Å; N284-Q288 PolarHBondContact O-N 2.87Å; N284-Q288 VanDerWaalsContact O-N 3.12Å; F285-Q288 PolarHBondContact O-N 3.43Å; Q288-K290 VanDerWaalsContact C-N 3.31Å; Q288-K290 PolarHBondContact O-N 3.34Å; Q288-L291 WeakPolarHBondContact O-CB 3.18Å; Q288-L291 PolarHBondContact O-N 3.47Å; Q288-L291 VanDerWaalsContact O-N 3.13Å
289F92.8Very high92.6Very high0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-60.8-40.4176.4-176.7-138.2000112.7I234 F255 E256 L259 F285 H286 L291 T292 R294 Y295 L298I234-F289 HydrophobicContact CD1-CB 3.44Å; I234-F289 VanDerWaalsContact CD1-CB 3.44Å; I234-F289 HydrophobicContact CD1-CD2 3.3Å; I234-F289 HydrophobicContact CD1-CE2 4.31Å; I234-F289 HydrophobicContact CD1-CG 3.68Å; F255-F289 HydrophobicContact CD1-CD1 4.5Å; F255-F289 HydrophobicContact CE1-CD1 4.08Å; E256-F289 HydrophobicContact CG-CE1 4.23Å; E256-F289 HydrophobicContact CG-CE2 4.23Å; E256-F289 HydrophobicContact CG-CZ 3.7Å; L259-F289 HydrophobicContact CD2-CD1 4.03Å; L259-F289 HydrophobicContact CD2-CE1 3.76Å; F285-F289 HydrophobicContact CD1-CB 4.23Å; F285-F289 HydrophobicContact CE1-CB 4.1Å; F285-F289 HydrophobicContact CE1-CG 4.28Å; F285-F289 WeakPolarHBondContact O-CB 3.5Å; F285-F289 PolarHBondContact O-N 3.28Å; H286-F289 PolarHBondContact O-N 2.94Å; F289-L291 PolarHBondContact O-N 3.39Å; F289-L291 VanDerWaalsContact O-N 3.1Å; F289-T292 WeakPolarHBondContact CD2-OG1 3.44Å; F289-T292 WeakPolarHBondContact O-CB 3.26Å; F289-T292 PolarHBondContact O-N 3.14Å; F289-T292 PolarHBondContact O-OG1 3.28Å; F289-R294 HydrophobicContact CE2-CB 4.08Å; F289-R294 HydrophobicContact CE2-CG 4.2Å; F289-Y295 AromaticContact CD1-CD2 3.77Å; F289-Y295 HydrophobicContact CD1-CD2 3.77Å; F289-Y295 AromaticContact CE1-CD2 3.78Å; F289-Y295 HydrophobicContact CE1-CD2 3.78Å; F289-Y295 HydrophobicContact CG-CD2 4.46Å; F289-Y295 HydrophobicContact CZ-CD2 4.48Å; F289-Y295 VanDerWaalsContact O-CB 3.22Å; F289-Y295 WeakPolarHBondContact O-CB 3.34Å; F289-L298 HydrophobicContact CE1-CD1 3.62Å; F289-L298 HydrophobicContact CZ-CD1 3.88Å; F289-L298 HydrophobicContact CZ-CG 4.5Å
290K93.5Very high92.1Very high70 Ų7069.2 Ų69.230%0.30434%0.338SS..Hα-helixtrans-54.9-28176.2-84.2174150.9-179.20113.9H286 Q288 T292 Y295H286-K290 WeakPolarHBondContact NE2-CE 3.4Å; H286-K290 WeakPolarHBondContact O-CG 3.42Å; H286-K290 PolarHBondContact O-N 3.41Å; Q288-K290 VanDerWaalsContact C-N 3.31Å; Q288-K290 PolarHBondContact O-N 3.34Å; K290-T292 VanDerWaalsContact C-N 3.32Å; K290-Y295 HydrophobicContact CB-CD1 4.31Å; K290-Y295 HydrophobicContact CB-CE1 4.4Å; K290-Y295 HydrophobicContact CG-CD1 4.08Å; K290-Y295 HydrophobicContact CG-CD2 4.17Å; K290-Y295 HydrophobicContact CG-CE1 3.77Å; K290-Y295 HydrophobicContact CG-CE2 3.87Å; K290-Y295 HydrophobicContact CG-CG 4.28Å
291L90.8Very high91.2Very high100 Ų10074 Ų7452%0.52434%0.344SS..THydrogen-bonded Turntrans-80.9-13.8179.3-55.3178.6000113.1Q288 F289Q288-L291 WeakPolarHBondContact O-CB 3.18Å; Q288-L291 PolarHBondContact O-N 3.47Å; Q288-L291 VanDerWaalsContact O-N 3.13Å; F289-L291 PolarHBondContact O-N 3.39Å; F289-L291 VanDerWaalsContact O-N 3.1Å
292T90.5Very high89.8Confident6 Ų677.1 Ų77.14%0.03737%0.368CS..SBendtrans-83.2149.2179.771.90000111.2I234 F289 K290 R294 Y295I234-T292 HydrophobicContact CB-CG2 4.21Å; I234-T292 HydrophobicContact CD1-CG2 4.44Å; F289-T292 WeakPolarHBondContact CD2-OG1 3.44Å; F289-T292 WeakPolarHBondContact O-CB 3.26Å; F289-T292 PolarHBondContact O-N 3.14Å; F289-T292 PolarHBondContact O-OG1 3.28Å; K290-T292 VanDerWaalsContact C-N 3.32Å; T292-R294 PolarHBondContact O-N 2.87Å; T292-Y295 WeakPolarHBondContact O-CB 3.47Å; T292-Y295 PolarHBondContact O-N 2.89Å; T292-Y295 VanDerWaalsContact O-N 3.15Å; T292-Y295 PolarHBondContact OG1-N 3.3Å
293D90.6Very high88.2Confident101 Ų10181.3 Ų81.354%0.5440%0.397SS..Hα-helixtrans-64.2-25.6175.2-69.8-37.1000112.6Y295 K296 M297D293-Y295 PolarHBondContact O-N 3.39Å; D293-K296 WeakPolarHBondContact O-CB 3.27Å; D293-K296 PolarHBondContact O-N 3.11Å; D293-K296 IonicContact OD1-NZ 2.78Å; D293-K296 PolarHBondContact OD1-NZ 3.13Å; D293-M297 PolarHBondContact O-N 3.5Å
294R90.4Very high86.5Confident98 Ų9884.6 Ų84.637%0.3742%0.419SS..Hα-helixtrans-61.7-32.6176.1-166.2-174.5-67.3172.6-0.8112.2E256 F289 T292 M297E256-R294 WeakPolarHBondContact OE1-CD 3.37Å; E256-R294 IonicContact OE1-CZ 3.26Å; E256-R294 IonicContact OE1-NE 3.61Å; E256-R294 IonicContact OE1-NH1 3.81Å; E256-R294 PolarHBondContact OE1-NH1 3.38Å; F289-R294 HydrophobicContact CE2-CB 4.08Å; F289-R294 HydrophobicContact CE2-CG 4.2Å; T292-R294 PolarHBondContact O-N 2.87Å; R294-M297 PolarHBondContact O-N 2.95Å
295Y91.9Very high84.9Confident71 Ų7188.7 Ų88.728%0.27844%0.44SS..Hα-helixtrans-66.2-38174-179.7-99.9000112.2L259 F289 K290 T292 D293 M297 L298L259-Y295 HydrophobicContact CD2-CD2 4.46Å; L259-Y295 HydrophobicContact CD2-CE2 4.17Å; F289-Y295 AromaticContact CD1-CD2 3.77Å; F289-Y295 HydrophobicContact CD1-CD2 3.77Å; F289-Y295 AromaticContact CE1-CD2 3.78Å; F289-Y295 HydrophobicContact CE1-CD2 3.78Å; F289-Y295 HydrophobicContact CG-CD2 4.46Å; F289-Y295 HydrophobicContact CZ-CD2 4.48Å; F289-Y295 VanDerWaalsContact O-CB 3.22Å; F289-Y295 WeakPolarHBondContact O-CB 3.34Å; K290-Y295 HydrophobicContact CB-CD1 4.31Å; K290-Y295 HydrophobicContact CB-CE1 4.4Å; K290-Y295 HydrophobicContact CG-CD1 4.08Å; K290-Y295 HydrophobicContact CG-CD2 4.17Å; K290-Y295 HydrophobicContact CG-CE1 3.77Å; K290-Y295 HydrophobicContact CG-CE2 3.87Å; K290-Y295 HydrophobicContact CG-CG 4.28Å; T292-Y295 WeakPolarHBondContact O-CB 3.47Å; T292-Y295 PolarHBondContact O-N 2.89Å; T292-Y295 VanDerWaalsContact O-N 3.15Å; T292-Y295 PolarHBondContact OG1-N 3.3Å; D293-Y295 PolarHBondContact O-N 3.39Å; Y295-M297 PolarHBondContact O-N 3.41Å; Y295-L298 HydrophobicContact CD2-CD1 3.9Å; Y295-L298 HydrophobicContact CE2-CD1 4.32Å; Y295-L298 WeakPolarHBondContact O-CB 3.09Å; Y295-L298 PolarHBondContact O-N 3.25Å; Y295-L298 VanDerWaalsContact O-N 3.08Å
296K91.6Very high83.3Confident151 Ų15194.3 Ų94.366%0.65747%0.474SS*.Hα-helixtrans-64.9-26.7177.1-57.8174-173.1158.40112.4D293 L298D293-K296 WeakPolarHBondContact O-CB 3.27Å; D293-K296 PolarHBondContact O-N 3.11Å; D293-K296 IonicContact OD1-NZ 2.78Å; D293-K296 PolarHBondContact OD1-NZ 3.13Å; K296-L298 VanDerWaalsContact C-N 3.31Å
297M91.7Very high81.6Confident154 Ų154102 Ų10276%0.75951%0.51SS*.THydrogen-bonded Turntrans-78.4-12.8176-61.7178.4-178.500113.4D293 R294 Y295D293-M297 PolarHBondContact O-N 3.5Å; R294-M297 PolarHBondContact O-N 2.95Å; Y295-M297 PolarHBondContact O-N 3.41Å
298L89.6Confident80.1Confident28 Ų28102.2 Ų102.215%0.14751%0.514CS..SBendtrans-65.7133.4175.3-70.4176.9000109.2L259 K260 F289 Y295 K296 K300L259-L298 HydrophobicContact CD2-CD1 3.82Å; K260-L298 HydrophobicContact CD-CD2 4.19Å; K260-L298 HydrophobicContact CG-CD2 3.95Å; F289-L298 HydrophobicContact CE1-CD1 3.62Å; F289-L298 HydrophobicContact CZ-CD1 3.88Å; F289-L298 HydrophobicContact CZ-CG 4.5Å; Y295-L298 HydrophobicContact CD2-CD1 3.9Å; Y295-L298 HydrophobicContact CE2-CD1 4.32Å; Y295-L298 WeakPolarHBondContact O-CB 3.09Å; Y295-L298 PolarHBondContact O-N 3.25Å; Y295-L298 VanDerWaalsContact O-N 3.08Å; K296-L298 VanDerWaalsContact C-N 3.31Å; L298-K300 PolarHBondContact O-N 3.34Å
299P86.7Confident78.5Confident100 Ų100104.6 Ų104.665%0.64953%0.532SS*.  trans-57.2119.3174.823.9-31.2000106.8R301P299-R301 PolarHBondContact O-N 3.15Å
300K85.2Confident76.9Confident200 Ų200112.1 Ų112.187%0.8758%0.579SS**  trans-57.1101.5165.5-68.1-177.6-178.3-1790103.7L298 S302L298-K300 PolarHBondContact O-N 3.34Å; K300-S302 PolarHBondContact O-N 3.1Å
301R76.6Confident75.3Confident155 Ų155111.9 Ų111.959%0.58560%0.597SS**  trans-52.1108.9162.8-83-177.6165.8-173.1-8.9101.6K260 M261 P299 S303K260-R301 PolarHBondContact O-NE 3.41Å; K260-R301 PolarHBondContact O-NH2 2.87Å; M261-R301 PolarHBondContact O-NH1 3.45Å; M261-R301 PolarHBondContact O-NH2 3.47Å; P299-R301 PolarHBondContact O-N 3.15Å; R301-S303 PolarHBondContact O-N 3.03Å
302S65.1Low73.6Confident95 Ų95113.2 Ų113.266%0.66460%0.596SS**  trans-47.1109.8160.748.50000101.2K300K300-S302 PolarHBondContact O-N 3.1Å
303S62Low72Confident88 Ų88118 Ų11862%0.61562%0.619SS**  trans-39.2123.5168.242.10000103.1R301 I305R301-S303 PolarHBondContact O-N 3.03Å; S303-I305 PolarHBondContact O-N 3.25Å
304P59.7Low70.8Confident109 Ų109117 Ų11771%0.70862%0.617SS**  trans-42.3121.217619.2-30.3000103.3T306P304-T306 PolarHBondContact O-N 3.33Å; P304-T306 PolarHBondContact O-OG1 3.43Å
305I58.4Low69.5Low144 Ų144123.4 Ų123.474%0.73864%0.641SS**  trans-61.888.4179.8-63.5168.8000100.7S303 E307S303-I305 PolarHBondContact O-N 3.25Å; I305-E307 HydrophobicContact CG2-CG 4.46Å; I305-E307 PolarHBondContact O-N 2.92Å
306T61.1Low68.4Low117 Ų117123.1 Ų123.172%0.71865%0.653SS**  trans-57.796.6155.3-9.9000097.4P304 K308P304-T306 PolarHBondContact O-N 3.33Å; P304-T306 PolarHBondContact O-OG1 3.43Å; T306-K308 PolarHBondContact O-N 3.33Å
307E60.7Low67.2Low169 Ų169120.3 Ų120.379%0.7964%0.642SS**  trans-46.5100.1168.6-70180166.900101.8I305 P309I305-E307 HydrophobicContact CG2-CG 4.46Å; I305-E307 PolarHBondContact O-N 2.92Å; E307-P309 VanDerWaalsContact C-N 3.34Å; E307-P309 WeakPolarHBondContact O-CD 3.32Å
308K62.8Low65.9Low153 Ų153114.9 Ų114.967%0.66562%0.622SS**  trans-48.4111.9175.4-81.1-168.8179.3-172.30101.7T306 T310 Y312T306-K308 PolarHBondContact O-N 3.33Å; K308-T310 PolarHBondContact O-N 3.47Å; K308-Y312 WeakPolarHBondContact CA-OH 3.17Å; K308-Y312 HydrophobicContact CB-CE2 3.89Å; K308-Y312 WeakPolarHBondContact CB-OH 3.04Å; K308-Y312 HydrophobicContact CD-CE2 4.29Å; K308-Y312 HydrophobicContact CG-CE2 4.4Å; K308-Y312 VanDerWaalsContact CG-OH 3.31Å; K308-Y312 WeakPolarHBondContact CG-OH 3.08Å
309P56.8Low64.8Low87 Ų87116.9 Ų116.957%0.56564%0.642SS**  trans-53116.6-177.616.1-28.3000104.2E307 G311 Y312E307-P309 VanDerWaalsContact C-N 3.34Å; E307-P309 WeakPolarHBondContact O-CD 3.32Å; P309-G311 PolarHBondContact O-N 3.48Å; P309-Y312 WeakPolarHBondContact CD-OH 3.14Å; P309-Y312 HydrophobicContact CG-CD1 4.38Å; P309-Y312 HydrophobicContact CG-CE1 3.57Å
310T59.2Low64.2Low158 Ų158120.4 Ų120.497%0.96965%0.647SS**THydrogen-bonded Turntrans-70.948.2-170.336.40000110K308K308-T310 PolarHBondContact O-N 3.47Å
311G60.1Low63.4Low66 Ų66116.7 Ų116.768%0.6864%0.637SS**THydrogen-bonded Turntrans-141.6-6.1-165.900000114.2P309 M313P309-G311 PolarHBondContact O-N 3.48Å; G311-M313 VanDerWaalsContact C-N 3.34Å; G311-M313 PolarHBondContact O-N 2.84Å; G311-M313 VanDerWaalsContact O-N 3.09Å
312Y54.8Low62.8Low128 Ų128116.9 Ų116.950%0.50264%0.644SS.*  trans-79.592.9161.515.8-97.9000108.5K308 P309 T314K308-Y312 WeakPolarHBondContact CA-OH 3.17Å; K308-Y312 HydrophobicContact CB-CE2 3.89Å; K308-Y312 WeakPolarHBondContact CB-OH 3.04Å; K308-Y312 HydrophobicContact CD-CE2 4.29Å; K308-Y312 HydrophobicContact CG-CE2 4.4Å; K308-Y312 VanDerWaalsContact CG-OH 3.31Å; K308-Y312 WeakPolarHBondContact CG-OH 3.08Å; P309-Y312 WeakPolarHBondContact CD-OH 3.14Å; P309-Y312 HydrophobicContact CG-CD1 4.38Å; P309-Y312 HydrophobicContact CG-CE1 3.57Å; Y312-T314 PolarHBondContact O-N 2.92Å
313M57.3Low62.9Low106 Ų106120.5 Ų120.552%0.52265%0.651SS.*  trans-49.4125.9156.6-87.6-164.7147.600107.6G311 E317G311-M313 VanDerWaalsContact C-N 3.34Å; G311-M313 PolarHBondContact O-N 2.84Å; G311-M313 VanDerWaalsContact O-N 3.09Å; M313-E317 WeakPolarHBondContact CA-OE2 3.43Å; M313-E317 HydrophobicContact CB-CB 3.94Å; M313-E317 HydrophobicContact CE-CB 4.09Å; M313-E317 HydrophobicContact CG-CB 3.94Å; M313-E317 HydrophobicContact SD-CB 4.07Å
314T65.4Low63Low81 Ų81122.3 Ų122.350%0.49766%0.661SS.*  trans-53.9149.2167.851.20000108.7Y312 A316 E317 A318Y312-T314 PolarHBondContact O-N 2.92Å; T314-A316 PolarHBondContact O-N 3.28Å; T314-E317 PolarHBondContact N-OE2 3.14Å; T314-E317 WeakPolarHBondContact O-CA 3.19Å; T314-E317 WeakPolarHBondContact O-CB 3.31Å; T314-E317 PolarHBondContact O-N 3.17Å; T314-E317 VanDerWaalsContact OG1-CG 3.3Å; T314-E317 WeakPolarHBondContact OG1-CG 3.31Å; T314-E317 PolarHBondContact OG1-N 3.27Å; T314-E317 PolarHBondContact OG1-OE2 3.04Å; T314-A318 PolarHBondContact O-N 3.13Å
315R63.9Low63.4Low232 Ų232123.7 Ų123.788%0.87567%0.667SS**Hα-helixtrans-53.4-26.3175.6-164.5176.8-174.9173.41.8112.1A319R315-A319 VanDerWaalsContact O-CB 3.27Å; R315-A319 WeakPolarHBondContact O-CB 3.37Å; R315-A319 PolarHBondContact O-N 3.18Å
316A67.4Low63.4Low65 Ų65121.6 Ų121.654%0.53767%0.671SS.*Hα-helixtrans-70.9-29.2172.500000114.3T314T314-A316 PolarHBondContact O-N 3.28Å
317E66.1Low63.6Low92 Ų92118.7 Ų118.743%0.4366%0.664SS.*Hα-helixtrans-82-36172.4-74.9168.3145.500112M313 T314 A319 K320M313-E317 WeakPolarHBondContact CA-OE2 3.43Å; M313-E317 HydrophobicContact CB-CB 3.94Å; M313-E317 HydrophobicContact CE-CB 4.09Å; M313-E317 HydrophobicContact CG-CB 3.94Å; M313-E317 HydrophobicContact SD-CB 4.07Å; T314-E317 PolarHBondContact N-OE2 3.14Å; T314-E317 WeakPolarHBondContact O-CA 3.19Å; T314-E317 WeakPolarHBondContact O-CB 3.31Å; T314-E317 PolarHBondContact O-N 3.17Å; T314-E317 VanDerWaalsContact OG1-CG 3.3Å; T314-E317 WeakPolarHBondContact OG1-CG 3.31Å; T314-E317 PolarHBondContact OG1-N 3.27Å; T314-E317 PolarHBondContact OG1-OE2 3.04Å; E317-A319 VanDerWaalsContact C-N 3.35Å; E317-K320 PolarHBondContact O-N 3.22Å
318A65.4Low63.4Low40 Ų40116 Ų11633%0.33166%0.661SS.*Hα-helixtrans-63.4-40.6171.300000111.7T314 K320 N321 E322T314-A318 PolarHBondContact O-N 3.13Å; A318-K320 PolarHBondContact O-N 3.24Å; A318-K320 VanDerWaalsContact O-N 3.14Å; A318-N321 PolarHBondContact O-N 3Å; A318-N321 VanDerWaalsContact O-N 3.15Å; A318-E322 PolarHBondContact O-N 2.98Å
319A67.2Low63.1Low69 Ų69114.3 Ų114.357%0.5767%0.669SS**THydrogen-bonded Turntrans-65.8-13.9177.800000114.5R315 E317R315-A319 VanDerWaalsContact O-CB 3.27Å; R315-A319 WeakPolarHBondContact O-CB 3.37Å; R315-A319 PolarHBondContact O-N 3.18Å; E317-A319 VanDerWaalsContact C-N 3.35Å
320K73.3Confident62.9Low175 Ų175118.1 Ų118.176%0.76168%0.679SS**THydrogen-bonded Turntrans-86.4-15.2175.8-73.9177.9-176.91770113.5E317 A318E317-K320 PolarHBondContact O-N 3.22Å; A318-K320 PolarHBondContact O-N 3.24Å; A318-K320 VanDerWaalsContact O-N 3.14Å
321N68Low62.7Low121 Ų121114.8 Ų114.865%0.64767%0.667SS**THydrogen-bonded Turntrans-109.2-7.2-176.8-71.4-21.3000113.8A318 E323A318-N321 PolarHBondContact O-N 3Å; A318-N321 VanDerWaalsContact O-N 3.15Å; N321-E323 PolarHBondContact O-N 3.23Å
322E64.9Low62.3Low159 Ų159120.4 Ų120.474%0.74367%0.673SS**  trans-87.897.9170.4-69.1-173.7173.500109.4A318A318-E322 PolarHBondContact O-N 2.98Å
323E66.4Low62.5Low171 Ų171123.5 Ų123.580%0.79969%0.689SS**  trans-54.9139.3161.4-78.6-169155.800109.1N321 V325N321-E323 PolarHBondContact O-N 3.23Å; E323-V325 PolarHBondContact O-N 3.33Å
324P64.5Low62.6Low127 Ų127129.3 Ų129.383%0.82571%0.707SS**  trans-65.896.3-179.127.3-33.2000109.5A326P324-A326 PolarHBondContact O-N 3.2Å
325V67.5Low61.9Low138 Ų138129.4 Ų129.484%0.83672%0.716SS**  trans-66.9106.8165.6179.60000106.2E323 G327E323-V325 PolarHBondContact O-N 3.33Å; V325-G327 PolarHBondContact O-N 3.04Å
326A59.5Low61.1Low100 Ų100123.3 Ų123.383%0.82671%0.709SS**  trans-61.386.2175.300000110P324P324-A326 PolarHBondContact O-N 3.2Å
327G65.4Low60.3Low56 Ų56126.2 Ų126.258%0.57772%0.72SS**  trans-69.8143.5169.600000110.5V325 S329V325-G327 PolarHBondContact O-N 3.04Å; G327-S329 PolarHBondContact O-N 3.1Å
328P56.3Low59.6Low112 Ų112128.4 Ų128.473%0.72773%0.733SS**  trans-63.8129.1-174.225.7-31.4000110.4H330P328-H330 PolarHBondContact O-N 3.4Å
329S55.6Low59.3Low118 Ų118131.4 Ų131.483%0.82575%0.749SS**  trans-57.194.1173.153.60000110.7G327 A331G327-S329 PolarHBondContact O-N 3.1Å; S329-A331 VanDerWaalsContact C-N 3.28Å; S329-A331 PolarHBondContact O-N 3.4Å
330H53.9Low58.4Low166 Ų166137 Ų13777%0.76976%0.763SS**  trans-7588.1162.7-94.3-83.5000108.2P328 F332P328-H330 PolarHBondContact O-N 3.4Å; H330-F332 PolarHBondContact O-N 3.27Å
331A53.2Low57.7Low88 Ų88138.7 Ų138.773%0.72777%0.767SS**  trans-60.799.3163.500000108.4S329 K333S329-A331 VanDerWaalsContact C-N 3.28Å; S329-A331 PolarHBondContact O-N 3.4Å; A331-K333 PolarHBondContact O-N 3.39Å
332F53.5Low56.5Low185 Ų185138 Ų13881%0.81177%0.77SS**  trans-6598.8167.3-110.5-93.2000107.8H330 Y334H330-F332 PolarHBondContact O-N 3.27Å; F332-Y334 PolarHBondContact O-N 3.09Å; F332-Y334 VanDerWaalsContact O-N 3.15Å
333K58.5Low56.4Low193 Ų193136.6 Ų136.684%0.83977%0.772SS**  trans-66.8107.6163.9-75.2-176.9177.1-1800107.2A331 A335A331-K333 PolarHBondContact O-N 3.39Å; K333-A335 VanDerWaalsContact C-N 3.27Å; K333-A335 PolarHBondContact O-N 3.11Å
334Y58.1Low55.8Low227 Ų227136.1 Ų136.189%0.8978%0.775SS**  trans-60.792.9159.5-91.9-95.3000108.1F332 S336F332-Y334 PolarHBondContact O-N 3.09Å; F332-Y334 VanDerWaalsContact O-N 3.15Å; Y334-S336 PolarHBondContact O-N 2.93Å
335A51.6Low55.2Low83 Ų83133.3 Ų133.369%0.68677%0.769SS**  trans-84.299.5160.400000106.6K333 V337K333-A335 VanDerWaalsContact C-N 3.27Å; K333-A335 PolarHBondContact O-N 3.11Å; A335-V337 PolarHBondContact O-N 3.48Å
336S47.5Very low54.6Low105 Ų105136 Ų13673%0.73477%0.772SS**  trans-64.897.7168.460.30000108.6Y334Y334-S336 PolarHBondContact O-N 2.93Å
337V50.6Low54Low126 Ų126138.6 Ų138.676%0.76477%0.773SS**  trans-92.694.2164-178.80000106.2A335A335-V337 PolarHBondContact O-N 3.48Å
338I51.9Low53.7Low137 Ų137143.9 Ų143.970%0.70379%0.788SS**  trans-76.2123.9165.1-61.6172.2000106.1E340I338-E340 PolarHBondContact O-N 3.06Å
339P58.7Low53.3Low104 Ų104143 Ų14368%0.67579%0.79SS**  trans-72.7112.4168.1-8.124.7000108.4Y341P339-Y341 PolarHBondContact O-N 2.92Å; P339-Y341 VanDerWaalsContact O-N 3.13Å
340E48Very low53.5Low185 Ų185144.7 Ų144.786%0.86479%0.79SS**  trans-61.5107.9162.8-80.8178.2154.300108.4I338I338-E340 PolarHBondContact O-N 3.06Å
341Y58.3Low53.3Low211 Ų211144.9 Ų144.983%0.82780%0.797SS**  trans-96.1110.3159.8-115.6-89.4000107.6P339 V343P339-Y341 PolarHBondContact O-N 2.92Å; P339-Y341 VanDerWaalsContact O-N 3.13Å; Y341-V343 PolarHBondContact O-N 2.66Å
342C43.7Very low53.4Low107 Ų107146.8 Ų146.872%0.72380%0.799SS**  trans-67.4119.5167.4-57.50000108.8
343V62.1Low53.4Low130 Ų130146.5 Ų146.579%0.78880%0.8SS**  trans-121.597.1161.4-179.90000106.3Y341Y341-V343 PolarHBondContact O-N 2.66Å
344D53.3Low52.9Low161 Ų161143.7 Ų143.786%0.86180%0.799SS**  trans-81.7130.2161.6-65.9-48.9000107.6
345G51.7Low52.6Low68 Ų68140.6 Ų140.670%0.70179%0.792SS**  trans16075.9170.300000115.7
346E56.3Low52.2Low193 Ų193141 Ų14190%0.90280%0.796SS**  trans44.2121.4144-69.6178.3152.400121.5
347N46.9Very low52Low155 Ų155143.6 Ų143.683%0.82980%0.8SS**  trans-52.5135.2166.6-50.3-69.5000113
348D58Low51.5Low168 Ų168143.1 Ų143.190%0.89880%0.797SS**  trans-136.8120.3139.3-85.4-40.4000107.9
349A47.3Very low51.2Low94 Ų94142.2 Ų142.278%0.77780%0.798SS**  trans-88.1119.4-179.200000108.7
350D60.9Low50.4Low153 Ų153147.6 Ų147.682%0.81881%0.812SS**  trans-129.8116.5160.9-83.3-38.7000109V352D350-V352 PolarHBondContact O-N 3.06Å
351D50Low50.5Low170 Ų170147.4 Ų147.491%0.90981%0.808SS**  trans-57.3123.6174.2-70.4-52.5000111
352V54.6Low49.9Very low128 Ų128141.9 Ų141.978%0.77681%0.806SS**  trans-126106163.8-178.40000109D350D350-V352 PolarHBondContact O-N 3.06Å
353E53.1Low49.9Very low179 Ų179143.8 Ų143.884%0.83681%0.807SS**  trans-67.8119.5173.2-161.9172.9-157.100109.5
354V49.2Very low49Very low134 Ų134143.8 Ų143.881%0.81281%0.807SS**  trans-94.598.6174.11800000108.2A356V354-A356 PolarHBondContact O-N 2.89Å
355E50.3Low48.6Very low161 Ų161141.6 Ų141.675%0.75280%0.799SS**  trans-70.6122.9168.3-86.5-165.914700110.9I357E355-I357 PolarHBondContact O-N 3.08Å
356A44.3Very low48.3Very low93 Ų93143.2 Ų143.277%0.76980%0.8SS**  trans-75.6105.8169.400000110.4V354 T358V354-A356 PolarHBondContact O-N 2.89Å; A356-T358 PolarHBondContact O-N 3.4Å
357I42.6Very low47.8Very low158 Ų158140.2 Ų140.281%0.8180%0.795SS**  trans-89.9102.4168.6-59.6177.1000108.8E355E355-I357 PolarHBondContact O-N 3.08Å
358T41.6Very low47.8Very low116 Ų116140.8 Ų140.871%0.71280%0.798SS**  trans-91.2152.9163.942.10000109.7A356A356-T358 PolarHBondContact O-N 3.4Å
359T45.1Very low47.6Very low118 Ų118136.5 Ų136.572%0.72479%0.794SS**  trans97.993.2160.6-34.50000117
360F40.8Very low47.9Very low218 Ų218141.1 Ų141.196%0.95680%0.799SS**  trans-92.5114.2150.6-98.7-89000109.2
361K51.4Low47.3Very low181 Ų181142.1 Ų142.179%0.78780%0.799SS**  trans-94.4113.7175.5-151.9174.8-172.4177.20107.6I363K361-I363 PolarHBondContact O-N 3.2Å
362A44.9Very low47.5Very low95 Ų95143.1 Ų143.179%0.78580%0.795SS**  trans-69.6120.2173.300000109.7
363I43.2Very low47.7Very low147 Ų147142.5 Ų142.575%0.75479%0.787SS**  trans-92.1114.4170.8-60.9175.7000107.2K361 V365K361-I363 PolarHBondContact O-N 3.2Å; I363-V365 HydrophobicContact CG2-CG2 3.8Å
364V43.3Very low47.7Very low129 Ų129142.6 Ų142.678%0.78279%0.788SS**  trans-87.2114.9164.41760000106.9
365V46.1Very low47.8Very low115 Ų115139.8 Ų139.870%0.69778%0.779SS**  trans-99.6114.1168.2179.60000108.1I363I363-V365 HydrophobicContact CG2-CG2 3.8Å
366S45.1Very low47.7Very low102 Ų102139.1 Ų139.171%0.71379%0.786SS**  trans-79.7131.3168.3-57.30000109.8
367V45.9Very low48.1Very low131 Ų131138 Ų13879%0.79478%0.784SS**  trans-102.7113.9170.8-176.30000107.6
368N46.9Very low48.7Very low166 Ų166137.7 Ų137.789%0.88879%0.789SS**  trans-137.3128.2163.9-83.2-19.6000107.4
369G53.1Low48.9Very low79 Ų79140.2 Ų140.281%0.81479%0.792SS**  trans-163.396.3174.800000110.5
370E52.7Low49.4Very low190 Ų190143.5 Ų143.589%0.88880%0.797SS**  trans-55.7134.6169.5-65.7166.6141.700111.1
371E48.9Very low49.6Very low175 Ų175136.9 Ų136.982%0.81878%0.783SS**  71.3120.679.1-152.8178.7-142.800115.3
372K54.6Low49.8Very low190 Ų190133.5 Ų133.583%0.82678%0.781SS**  trans155.7143.9155.6-93.3175.5174.21760109.5
373D58.4Low50.4Low115 Ų115138.7 Ų138.762%0.61579%0.786SS**  cis-178.6147.6-19.9-108.9-19.6000105.2
374E53.9Low50.5Low181 Ų181136.1 Ų136.185%0.84679%0.787SS**  trans60.9146143.9-70.7-172.8156.500121.4
375A51.2Low50.9Low75 Ų75134.2 Ų134.262%0.6279%0.793SS**  cis-170.1151.8-3.800000111.4
376T47.9Very low50.9Low147 Ų147132.2 Ų132.290%0.90280%0.796SS**  trans46.1135.3143.446.90000124.2
377G51.6Low51.3Low71 Ų71131.8 Ų131.873%0.73280%0.799SS**  trans165.887.4138.800000121
378V55.4Low51.7Low151 Ų151134.5 Ų134.592%0.91580%0.803SS**  trans79.8135.3135.7-170.90000121.8
379Q46.2Very low52.3Low168 Ų168135.4 Ų135.479%0.78580%0.802SS**  trans-75.6163.1-176.9-57.9169.7-26.600115.3
380K55.2Low52.2Low187 Ų187139.4 Ų139.481%0.81380%0.799SS**  143.7119.5103.3-153169.5-173.6178.90115.1
381A46.5Very low52.1Low80 Ų80133.9 Ų133.966%0.66179%0.786SS**  trans60.8122.913900000122.6
382S55.9Low52.5Low109 Ų109135.2 Ų135.276%0.76279%0.789SS**  13714094.148.10000117.1
383K56.1Low52.3Low204 Ų204130.7 Ų130.789%0.88779%0.787SS**  trans67154.2152.6-86178.2166.6176.60119
384A46.8Very low51.8Low94 Ų94129 Ų12978%0.77780%0.797SS**  cis171.5144.4-25.900000106.7
385G50.4Low52.1Low88 Ų88129.4 Ų129.491%0.90780%0.799SS**  trans98.1140.516600000114.7
386G45.8Very low52.1Low73 Ų73133.8 Ų133.875%0.75381%0.811SS**  cis151.4153.75.300000109.4
387A53.7Low52.8Low94 Ų94130.6 Ų130.678%0.77781%0.808SS**  trans71.6115.9164.100000117.8
388E53.8Low53Low188 Ų188134.6 Ų134.688%0.87981%0.813SS**  84.7117.471.7-80.4-177.8-173.400113.9
389E59.8Low52.8Low185 Ų185132.3 Ų132.386%0.86480%0.799SS**  trans158.4163138.2-95.5-174.2137.300109.2
390E51.1Low53.3Low163 Ų163133.4 Ų133.476%0.76280%0.804SS**  cis-171.1149.3-46.3-155.7-171.3-151.600105.2
391A51.3Low52.9Low74 Ų74128.7 Ų128.761%0.61279%0.794SS**  trans81.4135142.700000123.7
392K56.4Low53Low203 Ų203130.2 Ų130.288%0.88380%0.795SS**  trans91.8145.3146.1-65.7171.6-175.6173.30118.7
393A50.8Low52.8Low94 Ų94133.1 Ų133.178%0.77780%0.796SS**  cis173150.7-20.900000106.3
394G48.8Very low52.6Low79 Ų79128.9 Ų128.981%0.81479%0.789SS**  trans85.8145.9162.700000115
395E59.5Low53.3Low191 Ų191130.6 Ų130.689%0.89379%0.79SS**  cis-166.3159.618.5-168.5171.8167.800109.8
396N52.2Low53.4Low166 Ų166132.3 Ų132.389%0.88878%0.783SS**  trans-69.1158.8-172.7-59.9-54.8000115
397G61.9Low54.1Low81 Ų81136 Ų13684%0.83579%0.786SS**  trans-160.8103.7165.300000111.4
398D56.4Low54.5Low155 Ų155136.2 Ų136.283%0.82978%0.781SS**  trans-86.5167.3-165.7-153.1-6000113.8
399V50Low55Low103 Ų103138.5 Ų138.562%0.62478%0.784SS**  trans-51.4142.5-176.8173.80000115.6
400H57.9Low55.2Low191 Ų191138.4 Ų138.488%0.88478%0.783SS**  trans-156121.7131.9-99.3-56.6000113.2
401S46.9Very low55.6Low87 Ų87143.4 Ų143.461%0.60881%0.81SS**  trans-73.3164.3168380000112.4
402V47.3Very low55.8Low113 Ų113146.9 Ų146.969%0.68582%0.82SS**  trans135.6124.2130.5178.60000115.9
403H52.5Low55.8Low170 Ų170143.9 Ų143.979%0.78782%0.817SS**  trans84128.8152.9-79-50.2000123.1
404P50.9Low56.1Low114 Ų114146.7 Ų146.774%0.7482%0.819SS**  trans-93.1148.8166.137.3-28.8000111.3
405V62.3Low56.5Low130 Ų130150.7 Ų150.779%0.78882%0.819SS**  trans-114116.5169176.70000108.2
406T52.3Low56.3Low125 Ų125148.2 Ų148.277%0.76781%0.814SS**  trans-70.6135161.247.10000109.2
407D60.5Low56.6Low151 Ų151147 Ų14781%0.80781%0.809SS**  trans-142.4122.6151.5-92.4-33000110.5
408S61.3Low56.2Low98 Ų98151.7 Ų151.769%0.68581%0.808SS**  trans-70.7142.4169.149.20000111.3
409Y64.1Low56.2Low235 Ų235151.5 Ų151.592%0.92281%0.806SS**  trans-135.3114.2150.7-105.7-85.4000110
410E66Low56.7Low184 Ų184155.5 Ų155.586%0.8682%0.821SS**  trans-72.6132.2159.3-72.7176.3140.500109.5
411M59Low56.6Low268 Ų268152.3 Ų152.3100%1.3282%0.815SS**  trans-152.20131.4-93.9-163.1-167.900109

Retrieved 411 of 411 residues in 456.8 ms (Link to these results)

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