A0A096MVD3_PAPAN Loading...

Spermatosis associated 9

AlphaFold DB , UniProt , Accession A0A096MVD3, Species PAPAN (Papio anubis, Olive baboon), Gene SPATA9, Length 254 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
1M42.4Very low44.9Very low229 Ų229120 Ų120100%1.12868%0.678SS**  0134.60-77.9179.2165.400108.3I3M1-I3 PolarHBondContact O-N 2.76Å
2P43.7Very low45Very low122 Ų122118.2 Ų118.279%0.79266%0.66SS**  trans-71.8122.2-171.729.9-31000109.6K4P2-K4 PolarHBondContact O-N 3.45Å
3I47Very low45.3Very low165 Ų165114.8 Ų114.885%0.84664%0.644SS**  trans-72.9107.7179.1-62.5161000106.9M1M1-I3 PolarHBondContact O-N 2.76Å
4K47.5Very low45.2Very low145 Ų145115.1 Ų115.163%0.6364%0.642SS**  trans-70131.8177-68.9-178.9178.1-179.70109.2P2 W8P2-K4 PolarHBondContact O-N 3.45Å; K4-W8 HydrophobicContact CD-CE3 4.42Å; K4-W8 HydrophobicContact CD-CZ3 4.41Å
5P47.1Very low45.4Very low101 Ų101119 Ų11966%0.65665%0.65SS**  trans-68.7141.1-175.225.2-31.8000111.8G7 W8P5-G7 PolarHBondContact O-N 2.77Å; P5-W8 PolarHBondContact O-N 2.98Å
6V49.3Very low45.6Very low120 Ų120119.1 Ų119.173%0.72765%0.65SS**Hα-helixtrans-51.4-24.4-178.8176.10000113.3W8 I9 C10V6-W8 VanDerWaalsContact C-N 3.28Å; V6-W8 PolarHBondContact O-N 3.41Å; V6-I9 PolarHBondContact O-N 3.19Å; V6-C10 PolarHBondContact O-N 3.01Å; V6-C10 VanDerWaalsContact O-N 3.14Å
7G43.5Very low45.7Very low57 Ų57119 Ų11959%0.58864%0.642SS**Hα-helixtrans-61.1-28.9175.400000114.7P5 G11P5-G7 PolarHBondContact O-N 2.77Å; G7-G11 PolarHBondContact O-N 3.25Å
8W42.4Very low45.7Very low153 Ų153115.9 Ų115.958%0.5863%0.631SS**Hα-helixtrans-72.1-36.4178.6-169.865.2000112.2K4 P5 V6 G11 Q12K4-W8 HydrophobicContact CD-CE3 4.42Å; K4-W8 HydrophobicContact CD-CZ3 4.41Å; P5-W8 PolarHBondContact O-N 2.98Å; V6-W8 VanDerWaalsContact C-N 3.28Å; V6-W8 PolarHBondContact O-N 3.41Å; W8-G11 PolarHBondContact O-N 2.82Å; W8-Q12 PolarHBondContact O-N 3.26Å; W8-Q12 VanDerWaalsContact O-N 3.15Å
9I50.3Low46Very low105 Ų105112.6 Ų112.654%0.53863%0.626SS.*Hα-helixtrans-73.7-38.9177.6-60.2168.1000110.1V6 G11 Q12 V13V6-I9 PolarHBondContact O-N 3.19Å; I9-G11 VanDerWaalsContact C-N 3.35Å; I9-Q12 PolarHBondContact O-N 2.96Å; I9-V13 HydrophobicContact CG2-CG2 4.45Å; I9-V13 WeakPolarHBondContact O-CG2 3.32Å; I9-V13 PolarHBondContact O-N 2.85Å
10C38.8Very low46.1Very low82 Ų82116.6 Ų116.655%0.55463%0.631SS**Hα-helixtrans-61.7-42.2173.4-168.60000111.7V6 Q12 L14V6-C10 PolarHBondContact O-N 3.01Å; V6-C10 VanDerWaalsContact O-N 3.14Å; C10-Q12 VanDerWaalsContact C-N 3.32Å; C10-Q12 PolarHBondContact O-N 2.73Å; C10-L14 WeakPolarHBondContact O-CB 3.32Å; C10-L14 PolarHBondContact O-N 3.04Å
11G42.2Very low46.4Very low41 Ų41115.2 Ų115.242%0.42362%0.623SS.*Hα-helixtrans-63.4-35.7175.500000113.2G7 W8 I9 K15G7-G11 PolarHBondContact O-N 3.25Å; W8-G11 PolarHBondContact O-N 2.82Å; I9-G11 VanDerWaalsContact C-N 3.35Å; G11-K15 WeakPolarHBondContact O-CB 3.17Å; G11-K15 PolarHBondContact O-N 3.28Å
12Q45.8Very low46.9Very low98 Ų98110.6 Ų110.646%0.45860%0.598SS.*Hα-helixtrans-80-33.9-177-153.5146.9-21.700113W8 I9 C10 N16W8-Q12 PolarHBondContact O-N 3.26Å; W8-Q12 VanDerWaalsContact O-N 3.15Å; I9-Q12 PolarHBondContact O-N 2.96Å; C10-Q12 VanDerWaalsContact C-N 3.32Å; C10-Q12 PolarHBondContact O-N 2.73Å; Q12-N16 VanDerWaalsContact O-CG 3.31Å; Q12-N16 PolarHBondContact O-N 3.43Å; Q12-N16 PolarHBondContact O-ND2 3.19Å; Q12-N16 VanDerWaalsContact O-ND2 3.12Å
13V48.5Very low47.1Very low75 Ų75106.8 Ų106.846%0.45558%0.581SS.*Hα-helixtrans-72.6-42.9172.8176.10000110.6I9 K15 N16 F17I9-V13 HydrophobicContact CG2-CG2 4.45Å; I9-V13 WeakPolarHBondContact O-CG2 3.32Å; I9-V13 PolarHBondContact O-N 2.85Å; V13-K15 VanDerWaalsContact C-N 3.3Å; V13-K15 PolarHBondContact O-N 3.07Å; V13-N16 PolarHBondContact O-N 3.13Å; V13-N16 VanDerWaalsContact O-N 3.16Å; V13-F17 HydrophobicContact CG1-CD2 3.77Å; V13-F17 HydrophobicContact CG1-CE2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.3Å; V13-F17 PolarHBondContact O-N 3.42Å
14L44.8Very low47.3Very low118 Ų118103.9 Ų103.962%0.61857%0.566SS**Hα-helixtrans-61.9-39.5175.8-162.173.1000111.2C10 N16 F17 S18C10-L14 WeakPolarHBondContact O-CB 3.32Å; C10-L14 PolarHBondContact O-N 3.04Å; L14-N16 VanDerWaalsContact C-N 3.29Å; L14-N16 PolarHBondContact O-N 3.06Å; L14-F17 PolarHBondContact O-N 2.98Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.36Å; L14-S18 PolarHBondContact O-N 3.48Å
15K47.8Very low47.3Very low174 Ų174103 Ų10376%0.75756%0.564SS**Hα-helixtrans-64.2-30.5176.3-162172.2-174.3178.50113.4G11 V13G11-K15 WeakPolarHBondContact O-CB 3.17Å; G11-K15 PolarHBondContact O-N 3.28Å; V13-K15 VanDerWaalsContact C-N 3.3Å; V13-K15 PolarHBondContact O-N 3.07Å
16N49.3Very low48Very low121 Ų121103.9 Ų103.965%0.64756%0.558SS**Hα-helixtrans-82.4-27.2176.3-70.6-28.1000113.5Q12 V13 L14Q12-N16 VanDerWaalsContact O-CG 3.31Å; Q12-N16 PolarHBondContact O-N 3.43Å; Q12-N16 PolarHBondContact O-ND2 3.19Å; Q12-N16 VanDerWaalsContact O-ND2 3.12Å; V13-N16 PolarHBondContact O-N 3.13Å; V13-N16 VanDerWaalsContact O-N 3.16Å; L14-N16 VanDerWaalsContact C-N 3.29Å; L14-N16 PolarHBondContact O-N 3.06Å
17F47.3Very low48Very low117 Ų117101 Ų10151%0.51355%0.546SS..Hα-helixtrans-90.5-25.1177.4-86.4-83.9000113.6V13 L14 G19 R20 I21V13-F17 HydrophobicContact CG1-CD2 3.77Å; V13-F17 HydrophobicContact CG1-CE2 3.98Å; V13-F17 WeakPolarHBondContact O-CD2 3.3Å; V13-F17 PolarHBondContact O-N 3.42Å; L14-F17 PolarHBondContact O-N 2.98Å; F17-G19 VanDerWaalsContact C-N 3.34Å; F17-G19 PolarHBondContact O-N 3.44Å; F17-R20 PolarHBondContact O-N 3.43Å; F17-R20 VanDerWaalsContact O-N 3.1Å; F17-I21 HydrophobicContact CB-CD1 4Å; F17-I21 WeakPolarHBondContact O-CB 2.98Å; F17-I21 WeakPolarHBondContact O-CG1 3.25Å; F17-I21 PolarHBondContact O-N 3.39Å
18S45.4Very low48.3Very low64 Ų64103 Ų10345%0.44854%0.542SS..Hα-helixtrans-53.6-48.4-178.6-1660000111.7L14 R20 I21 E22L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.36Å; L14-S18 PolarHBondContact O-N 3.48Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 3.39Å; S18-I21 PolarHBondContact O-N 3.4Å; S18-E22 WeakPolarHBondContact O-CB 3.47Å; S18-E22 PolarHBondContact O-N 3.38Å
19G51.7Low49.2Very low52 Ų52100.5 Ų100.554%0.53654%0.538SS..Hα-helixtrans-69.8-24-179.200000115F17 G23F17-G19 VanDerWaalsContact C-N 3.34Å; F17-G19 PolarHBondContact O-N 3.44Å; G19-G23 PolarHBondContact O-N 2.88Å
20R47.5Very low49.5Very low193 Ų19399.4 Ų99.473%0.72853%0.533SS*.Hα-helixtrans-86.2-35.9176.4-84.9-174.2166-168.3-3.6112.4F17 S18 E22 G23 I24F17-R20 PolarHBondContact O-N 3.43Å; F17-R20 VanDerWaalsContact O-N 3.1Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 3.39Å; R20-E22 VanDerWaalsContact C-N 3.32Å; R20-G23 PolarHBondContact O-N 2.81Å; R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.46Å; R20-I24 PolarHBondContact O-N 2.91Å
21I51.7Low50.2Low88 Ų8899.7 Ų99.745%0.45153%0.529SS..Hα-helixtrans-67.3-38.7172.9-69.6166.4000109.5F17 S18 G23 I24 Q25F17-I21 HydrophobicContact CB-CD1 4Å; F17-I21 WeakPolarHBondContact O-CB 2.98Å; F17-I21 WeakPolarHBondContact O-CG1 3.25Å; F17-I21 PolarHBondContact O-N 3.39Å; S18-I21 PolarHBondContact O-N 3.4Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.33Å; I21-I24 PolarHBondContact O-N 2.79Å; I21-Q25 WeakPolarHBondContact O-CB 3.49Å; I21-Q25 PolarHBondContact O-N 3.17Å
22E53.2Low51Low132 Ų132101.5 Ų101.562%0.61753%0.531SS*.Hα-helixtrans-63.7-36.8173.8-162.4164.1-15500111.6S18 R20 K26S18-E22 WeakPolarHBondContact O-CB 3.47Å; S18-E22 PolarHBondContact O-N 3.38Å; R20-E22 VanDerWaalsContact C-N 3.32Å; E22-K26 WeakPolarHBondContact O-CB 3.27Å; E22-K26 PolarHBondContact O-N 3.37Å
23G48.7Very low51.7Low41 Ų41100 Ų10042%0.42353%0.526SS..Hα-helixtrans-69.2-38.1172.200000114.3G19 R20 I21 A27G19-G23 PolarHBondContact O-N 2.88Å; R20-G23 PolarHBondContact O-N 2.81Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 3.33Å; G23-A27 WeakPolarHBondContact O-CB 3.22Å; G23-A27 PolarHBondContact O-N 2.67Å
24I50.9Low52Low105 Ų105101.8 Ų101.854%0.53853%0.53SS..Hα-helixtrans-73.4-41.3176.4-68.9164.6000110.6R20 I21 K26 A27 I28R20-I24 VanDerWaalsContact O-CG1 3.31Å; R20-I24 WeakPolarHBondContact O-CG1 3.46Å; R20-I24 PolarHBondContact O-N 2.91Å; I21-I24 PolarHBondContact O-N 2.79Å; I24-K26 VanDerWaalsContact C-N 3.31Å; I24-A27 PolarHBondContact O-N 3.37Å; I24-I28 HydrophobicContact CG2-CD1 3.82Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 WeakPolarHBondContact O-CB 3.37Å; I24-I28 VanDerWaalsContact O-CG1 3.24Å; I24-I28 WeakPolarHBondContact O-CG1 3.41Å; I24-I28 PolarHBondContact O-N 3.37Å
25Q47.4Very low52.3Low125 Ų125100.8 Ų100.858%0.58452%0.521SS*.Hα-helixtrans-66.3-37175.7-170.1175.3-5.800110.5I21 I28 M29I21-Q25 WeakPolarHBondContact O-CB 3.49Å; I21-Q25 PolarHBondContact O-N 3.17Å; Q25-I28 PolarHBondContact O-N 2.82Å; Q25-M29 WeakPolarHBondContact O-CB 3.44Å; Q25-M29 PolarHBondContact O-N 3.32Å
26K60.6Low52.7Low121 Ų12198.8 Ų98.853%0.52651%0.512SS..Hα-helixtrans-64.8-44.5169.5-177.3170.9-178.8176.40112E22 I24 I28 M29 D30E22-K26 WeakPolarHBondContact O-CB 3.27Å; E22-K26 PolarHBondContact O-N 3.37Å; I24-K26 VanDerWaalsContact C-N 3.31Å; K26-I28 VanDerWaalsContact C-N 3.3Å; K26-I28 PolarHBondContact O-N 3.24Å; K26-M29 CarbonylContact O-C 3.6Å; K26-M29 PolarHBondContact O-N 2.83Å; K26-D30 VanDerWaalsContact O-CB 3.24Å; K26-D30 WeakPolarHBondContact O-CB 3.33Å; K26-D30 PolarHBondContact O-N 2.93Å
27A49.5Very low52.9Low58 Ų5898.4 Ų98.448%0.47951%0.51SS..Hα-helixtrans-63.8-36176.100000112.6G23 I24 L31G23-A27 WeakPolarHBondContact O-CB 3.22Å; G23-A27 PolarHBondContact O-N 2.67Å; I24-A27 PolarHBondContact O-N 3.37Å; A27-L31 WeakPolarHBondContact O-CB 3.37Å; A27-L31 PolarHBondContact O-N 2.88Å
28I51.3Low53Low101 Ų10197.4 Ų97.452%0.51851%0.507SS..Hα-helixtrans-71.2-40.2174.6-68.6167000110.6I24 Q25 K26 L31 V32I24-I28 HydrophobicContact CG2-CD1 3.82Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 WeakPolarHBondContact O-CB 3.37Å; I24-I28 VanDerWaalsContact O-CG1 3.24Å; I24-I28 WeakPolarHBondContact O-CG1 3.41Å; I24-I28 PolarHBondContact O-N 3.37Å; Q25-I28 PolarHBondContact O-N 2.82Å; K26-I28 VanDerWaalsContact C-N 3.3Å; K26-I28 PolarHBondContact O-N 3.24Å; I28-L31 PolarHBondContact O-N 3.23Å; I28-V32 HydrophobicContact CG2-CG2 4.31Å; I28-V32 VanDerWaalsContact O-CB 3.25Å; I28-V32 WeakPolarHBondContact O-CB 3.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.39Å; I28-V32 PolarHBondContact O-N 2.85Å
29M59.9Low53.2Low99 Ų99100 Ų10049%0.48851%0.511SS..Hα-helixtrans-71-39.9178.1-174.5168.850.600111.8Q25 K26 L31 V32 D33Q25-M29 WeakPolarHBondContact O-CB 3.44Å; Q25-M29 PolarHBondContact O-N 3.32Å; K26-M29 CarbonylContact O-C 3.6Å; K26-M29 PolarHBondContact O-N 2.83Å; M29-L31 VanDerWaalsContact C-N 3.34Å; M29-V32 CarbonylContact O-C 3.54Å; M29-V32 PolarHBondContact O-N 2.83Å; M29-D33 VanDerWaalsContact O-CB 3.29Å; M29-D33 WeakPolarHBondContact O-CB 3.43Å; M29-D33 PolarHBondContact O-N 2.96Å
30D58.1Low53Low82 Ų82100.2 Ų100.244%0.43950%0.503SS..Hα-helixtrans-63.1-42.2173.2-70.5-11.6000109.8K26 D33 E34K26-D30 VanDerWaalsContact O-CB 3.24Å; K26-D30 WeakPolarHBondContact O-CB 3.33Å; K26-D30 PolarHBondContact O-N 2.93Å; D30-D33 PolarHBondContact O-N 3.39Å; D30-E34 WeakPolarHBondContact O-CB 3.28Å; D30-E34 PolarHBondContact O-N 2.94Å
31L53.4Low53.1Low88 Ų8895 Ų9546%0.46149%0.492SS..Hα-helixtrans-68.2-39.4174.8-171.770.2000111.8A27 I28 M29 F35A27-L31 WeakPolarHBondContact O-CB 3.37Å; A27-L31 PolarHBondContact O-N 2.88Å; I28-L31 PolarHBondContact O-N 3.23Å; M29-L31 VanDerWaalsContact C-N 3.34Å; L31-F35 HydrophobicContact CD1-CD2 4.13Å; L31-F35 HydrophobicContact CD1-CE2 3.64Å; L31-F35 HydrophobicContact CD1-CZ 4.46Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 HydrophobicContact CG-CD2 3.81Å; L31-F35 HydrophobicContact CG-CE2 3.61Å; L31-F35 WeakPolarHBondContact O-CB 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.49Å; L31-F35 WeakPolarHBondContact O-CG 3.46Å; L31-F35 PolarHBondContact O-N 3.3Å
32V58.2Low52.9Low79 Ų7996.1 Ų96.148%0.47950%0.498SS..Hα-helixtrans-68.8-36.7175.8165.60000111I28 M29 F35 K36I28-V32 HydrophobicContact CG2-CG2 4.31Å; I28-V32 VanDerWaalsContact O-CB 3.25Å; I28-V32 WeakPolarHBondContact O-CB 3.43Å; I28-V32 WeakPolarHBondContact O-CG2 3.39Å; I28-V32 PolarHBondContact O-N 2.85Å; M29-V32 CarbonylContact O-C 3.54Å; M29-V32 PolarHBondContact O-N 2.83Å; V32-F35 CarbonylContact O-C 3.59Å; V32-K36 WeakPolarHBondContact O-CA 3.33Å; V32-K36 WeakPolarHBondContact O-CB 3.46Å; V32-K36 PolarHBondContact O-N 2.77Å
33D60.1Low52.4Low66 Ų6694.2 Ų94.235%0.35349%0.492SS..Hα-helixtrans-72.7-39.5175.9-79.6-23.4000110.7M29 D30 F35 K36 D37M29-D33 VanDerWaalsContact O-CB 3.29Å; M29-D33 WeakPolarHBondContact O-CB 3.43Å; M29-D33 PolarHBondContact O-N 2.96Å; D30-D33 PolarHBondContact O-N 3.39Å; D33-F35 PolarHBondContact O-N 2.88Å; D33-K36 CarbonylContact O-C 3.55Å; D33-K36 PolarHBondContact O-N 3.21Å; D33-K36 VanDerWaalsContact O-N 3.14Å; D33-D37 WeakPolarHBondContact O-CB 3.37Å; D33-D37 PolarHBondContact O-N 3.18Å
34E55.6Low51.9Low113 Ų113101 Ų10153%0.52851%0.505SS..Hα-helixtrans-61-44.7171.6-170.2164.9-154.100110.7D30 E38D30-E34 WeakPolarHBondContact O-CB 3.28Å; D30-E34 PolarHBondContact O-N 2.94Å; E34-E38 VanDerWaalsContact O-CB 3.22Å; E34-E38 WeakPolarHBondContact O-CB 3.19Å; E34-E38 VanDerWaalsContact O-CG 3.27Å; E34-E38 WeakPolarHBondContact O-CG 3.33Å; E34-E38 PolarHBondContact O-N 3.14Å
35F51.5Low51.4Low97 Ų97102.9 Ų102.943%0.42552%0.515SS..Hα-helixtrans-68.3-37.3171.2-79.3-56.6000112.7L31 V32 D33 D37 E38 F39L31-F35 HydrophobicContact CD1-CD2 4.13Å; L31-F35 HydrophobicContact CD1-CE2 3.64Å; L31-F35 HydrophobicContact CD1-CZ 4.46Å; L31-F35 HydrophobicContact CD2-CE2 4.12Å; L31-F35 HydrophobicContact CG-CD2 3.81Å; L31-F35 HydrophobicContact CG-CE2 3.61Å; L31-F35 WeakPolarHBondContact O-CB 3.29Å; L31-F35 WeakPolarHBondContact O-CD2 3.49Å; L31-F35 WeakPolarHBondContact O-CG 3.46Å; L31-F35 PolarHBondContact O-N 3.3Å; V32-F35 CarbonylContact O-C 3.59Å; D33-F35 PolarHBondContact O-N 2.88Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 2.85Å; F35-E38 PolarHBondContact O-N 3.1Å; F35-F39 HydrophobicContact CB-CD2 3.82Å; F35-F39 HydrophobicContact CB-CE2 4.05Å; F35-F39 AromaticContact CD1-CD2 3.8Å; F35-F39 HydrophobicContact CD1-CD2 3.8Å; F35-F39 AromaticContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CD1-CE2 3.45Å; F35-F39 VanDerWaalsContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CE1-CE2 4.19Å; F35-F39 HydrophobicContact CG-CD2 4.21Å; F35-F39 AromaticContact CG-CE2 3.99Å; F35-F39 HydrophobicContact CG-CE2 3.99Å; F35-F39 WeakPolarHBondContact O-CA 3.35Å; F35-F39 WeakPolarHBondContact O-CB 3.13Å; F35-F39 WeakPolarHBondContact O-CD2 3.28Å; F35-F39 PolarHBondContact O-N 3.49Å
36K55.8Low51.1Low133 Ų133101.7 Ų101.758%0.57852%0.52SS*.Hα-helixtrans-74.4-21.3-178.2-175.6-173.2170-155.40112.1V32 D33 P40V32-K36 WeakPolarHBondContact O-CA 3.33Å; V32-K36 WeakPolarHBondContact O-CB 3.46Å; V32-K36 PolarHBondContact O-N 2.77Å; D33-K36 CarbonylContact O-C 3.55Å; D33-K36 PolarHBondContact O-N 3.21Å; D33-K36 VanDerWaalsContact O-N 3.14Å; K36-P40 WeakPolarHBondContact O-CD 3.25Å; K36-P40 WeakPolarHBondContact O-CG 3.2Å
37D53.3Low50.3Low112 Ų112102.9 Ų102.960%0.59953%0.528SS*.Hα-helixtrans-89-35171.7-71-25.5000111.2D33 F35 T41D33-D37 WeakPolarHBondContact O-CB 3.37Å; D33-D37 PolarHBondContact O-N 3.18Å; F35-D37 VanDerWaalsContact C-N 3.29Å; F35-D37 PolarHBondContact O-N 2.85Å; D37-T41 WeakPolarHBondContact O-CB 3.2Å; D37-T41 PolarHBondContact O-OG1 3.26Å
38E50.2Low49.8Very low97 Ų97104.5 Ų104.545%0.45354%0.536SS..Hα-helixtrans-79.6-36.8177.4-72.1-171.4167.700113.5E34 F35 T41 I42E34-E38 VanDerWaalsContact O-CB 3.22Å; E34-E38 WeakPolarHBondContact O-CB 3.19Å; E34-E38 VanDerWaalsContact O-CG 3.27Å; E34-E38 WeakPolarHBondContact O-CG 3.33Å; E34-E38 PolarHBondContact O-N 3.14Å; F35-E38 PolarHBondContact O-N 3.1Å; E38-T41 CarbonylContact O-C 3.3Å; E38-T41 PolarHBondContact O-N 3.48Å; E38-T41 VanDerWaalsContact O-N 3.14Å; E38-I42 HydrophobicContact CB-CD1 4.1Å; E38-I42 WeakPolarHBondContact O-CB 3.43Å; E38-I42 WeakPolarHBondContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CG1 3.46Å; E38-I42 PolarHBondContact O-N 2.88Å
39F49Very low49.4Very low118 Ų118106.6 Ų106.652%0.51855%0.548SS..Hα-helixtrans-63.7-46.8-179-95.4-94.9000112.9F35 T41 I42 L43F35-F39 HydrophobicContact CB-CD2 3.82Å; F35-F39 HydrophobicContact CB-CE2 4.05Å; F35-F39 AromaticContact CD1-CD2 3.8Å; F35-F39 HydrophobicContact CD1-CD2 3.8Å; F35-F39 AromaticContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CD1-CE2 3.45Å; F35-F39 VanDerWaalsContact CD1-CE2 3.45Å; F35-F39 HydrophobicContact CE1-CE2 4.19Å; F35-F39 HydrophobicContact CG-CD2 4.21Å; F35-F39 AromaticContact CG-CE2 3.99Å; F35-F39 HydrophobicContact CG-CE2 3.99Å; F35-F39 WeakPolarHBondContact O-CA 3.35Å; F35-F39 WeakPolarHBondContact O-CB 3.13Å; F35-F39 WeakPolarHBondContact O-CD2 3.28Å; F35-F39 PolarHBondContact O-N 3.49Å; F39-T41 PolarHBondContact O-N 3.36Å; F39-I42 PolarHBondContact O-N 2.85Å; F39-L43 WeakPolarHBondContact O-CB 3.38Å; F39-L43 WeakPolarHBondContact O-CG 3.16Å; F39-L43 PolarHBondContact O-N 3.26Å
40P48.1Very low48.5Very low57 Ų57111.2 Ų111.237%0.3757%0.568SS.*Hα-helixtrans-70.3-23174.1-16.430.9000112K36 R44K36-P40 WeakPolarHBondContact O-CD 3.25Å; K36-P40 WeakPolarHBondContact O-CG 3.2Å; P40-R44 WeakPolarHBondContact O-CA 3.43Å; P40-R44 WeakPolarHBondContact O-CB 3.45Å; P40-R44 WeakPolarHBondContact O-CG 3.27Å; P40-R44 PolarHBondContact O-N 3.25Å
41T49.4Very low47.6Very low82 Ų82115.7 Ų115.750%0.50358%0.583SS.*Hα-helixtrans-80.4-34.7176.9-56.60000111.3D37 E38 F39 R44 L45D37-T41 WeakPolarHBondContact O-CB 3.2Å; D37-T41 PolarHBondContact O-OG1 3.26Å; E38-T41 CarbonylContact O-C 3.3Å; E38-T41 PolarHBondContact O-N 3.48Å; E38-T41 VanDerWaalsContact O-N 3.14Å; F39-T41 PolarHBondContact O-N 3.36Å; T41-R44 CarbonylContact O-C 3.54Å; T41-L45 WeakPolarHBondContact O-CB 3.36Å; T41-L45 PolarHBondContact O-N 3.47Å
42I47.5Very low47.1Very low112 Ų112123.5 Ų123.557%0.57461%0.607SS**Hα-helixtrans-75.5-41.2172.4-63.9161.8000110.1E38 F39 L45 S46E38-I42 HydrophobicContact CB-CD1 4.1Å; E38-I42 WeakPolarHBondContact O-CB 3.43Å; E38-I42 WeakPolarHBondContact O-CD1 3.32Å; E38-I42 WeakPolarHBondContact O-CG1 3.46Å; E38-I42 PolarHBondContact O-N 2.88Å; F39-I42 PolarHBondContact O-N 2.85Å; I42-L45 PolarHBondContact O-N 3.47Å; I42-S46 PolarHBondContact O-N 2.97Å
43L41.9Very low46Very low93 Ų93127 Ų12749%0.48762%0.618SS.*Hα-helixtrans-68.6-34.5170.5-83.4159.3000112.2F39 S46 Q47F39-L43 WeakPolarHBondContact O-CB 3.38Å; F39-L43 WeakPolarHBondContact O-CG 3.16Å; F39-L43 PolarHBondContact O-N 3.26Å; L43-S46 CarbonylContact O-C 3.25Å; L43-S46 VanDerWaalsContact O-C 3.3Å; L43-S46 WeakPolarHBondContact O-CA 3.41Å; L43-S46 WeakPolarHBondContact O-CB 3.19Å; L43-S46 PolarHBondContact O-N 3.06Å; L43-Q47 WeakPolarHBondContact O-CA 3.35Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 2.96Å
44R39.2Very low44.9Very low184 Ų184129.6 Ų129.669%0.69464%0.639SS**Hα-helixtrans-77.2-24.2170.4-85.4179.6157.5151.4-3.9113P40 T41 Q47 S48P40-R44 WeakPolarHBondContact O-CA 3.43Å; P40-R44 WeakPolarHBondContact O-CB 3.45Å; P40-R44 WeakPolarHBondContact O-CG 3.27Å; P40-R44 PolarHBondContact O-N 3.25Å; T41-R44 CarbonylContact O-C 3.54Å; R44-Q47 CarbonylContact O-C 3.57Å; R44-Q47 VanDerWaalsContact O-C 3.25Å; R44-Q47 PolarHBondContact O-N 3.4Å; R44-S48 WeakPolarHBondContact O-CA 3.15Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 2.82Å
45L39.8Very low44.1Very low144 Ų144128.8 Ų128.875%0.75465%0.651SS**Hα-helixtrans-65.3-37.7164.9-125.598.6000109.2T41 I42T41-L45 WeakPolarHBondContact O-CB 3.36Å; T41-L45 PolarHBondContact O-N 3.47Å; I42-L45 PolarHBondContact O-N 3.47Å
46S41.2Very low43.7Very low100 Ų100132.2 Ų132.270%0.69967%0.668SS**Hα-helixtrans-76.3-18.3172.5-166.80000114.3I42 L43I42-S46 PolarHBondContact O-N 2.97Å; L43-S46 CarbonylContact O-C 3.25Å; L43-S46 VanDerWaalsContact O-C 3.3Å; L43-S46 WeakPolarHBondContact O-CA 3.41Å; L43-S46 WeakPolarHBondContact O-CB 3.19Å; L43-S46 PolarHBondContact O-N 3.06Å
47Q44Very low43.4Very low146 Ų146135.5 Ų135.568%0.68268%0.682SS**THydrogen-bonded Turntrans-125.329.5-178.4-69.8-171.9-8.600112.7L43 R44 N49L43-Q47 WeakPolarHBondContact O-CA 3.35Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 2.96Å; R44-Q47 CarbonylContact O-C 3.57Å; R44-Q47 VanDerWaalsContact O-C 3.25Å; R44-Q47 PolarHBondContact O-N 3.4Å; Q47-N49 PolarHBondContact O-N 3.39Å
48S38.1Very low43.3Very low92 Ų92134.5 Ų134.564%0.64368%0.681SS**  trans-69.898.4-175.4-179.40000110.1R44 Q50R44-S48 WeakPolarHBondContact O-CA 3.15Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 2.82Å; S48-Q50 PolarHBondContact O-N 3.24Å
49N42.5Very low43.6Very low144 Ų144131.9 Ų131.977%0.7767%0.673SS**  trans36.866.9162.9-64.5-47.9000117.3Q47 K51Q47-N49 PolarHBondContact O-N 3.39Å; N49-K51 PolarHBondContact O-N 2.81Å; N49-K51 VanDerWaalsContact O-N 3.12Å
50Q41.1Very low44Very low196 Ų196135.7 Ų135.792%0.91669%0.689SS**  trans-75.282.6137.6-87.7-172-3.900107.5S48 R52S48-Q50 PolarHBondContact O-N 3.24Å; Q50-R52 PolarHBondContact O-N 3.42Å
51K40.3Very low44.5Very low176 Ų176138.2 Ų138.277%0.76570%0.699SS**  trans-55.2125.8157.9-122.8180-179.2-177.70105.9N49 E53N49-K51 PolarHBondContact O-N 2.81Å; N49-K51 VanDerWaalsContact O-N 3.12Å; K51-E53 PolarHBondContact O-N 2.81Å
52R42.2Very low44.9Very low252 Ų252142.3 Ų142.395%0.95171%0.705SS**  trans-69.466-179.4-155.4-177.8-160172.94.1109.5Q50Q50-R52 PolarHBondContact O-N 3.42Å
53E35.3Very low45.5Very low154 Ų154143.6 Ų143.672%0.7271%0.71SS**  trans-82.7145.8158.9-79.2-176.8179.400107.8K51 A55K51-E53 PolarHBondContact O-N 2.81Å; E53-A55 PolarHBondContact O-N 3.42Å
54P37.1Very low46.4Very low120 Ų120141.9 Ų141.978%0.77971%0.709SS**  trans-54.7121.9178.523.7-31.9000108.2Q56P54-Q56 PolarHBondContact O-N 2.86Å
55A39.4Very low47.5Very low95 Ų95137.9 Ų137.979%0.78570%0.701SS**  trans-50.392.7-170.300000112.7E53 K57E53-A55 PolarHBondContact O-N 3.42Å; A55-K57 PolarHBondContact O-N 2.74Å
56Q41.7Very low48.6Very low170 Ų170133.8 Ų133.879%0.79469%0.688SS**  trans-77.2107.9156.5-83.9-166.83.500107.1P54 T58P54-Q56 PolarHBondContact O-N 2.86Å; Q56-T58 PolarHBondContact O-N 2.88Å
57K50.8Low49.6Very low201 Ų201133.6 Ų133.687%0.87468%0.678SS**  trans-55.973.3174.6-62.2172.1178.6175.80111A55 S59A55-K57 PolarHBondContact O-N 2.74Å; K57-S59 PolarHBondContact O-N 3.47Å
58T50.1Low50.3Low92 Ų92130.8 Ų130.856%0.56468%0.68SS**  trans-82.670.616949.10000108.9Q56Q56-T58 PolarHBondContact O-N 2.88Å
59S57.8Low51.6Low42 Ų42135.1 Ų135.129%0.29469%0.687SS.*  trans10.6120.716163.30000118.7K57 I61 R62K57-S59 PolarHBondContact O-N 3.47Å; S59-I61 PolarHBondContact O-N 3.47Å; S59-R62 PolarHBondContact O-N 3.48Å
60K57Low52.7Low197 Ų197132.2 Ų132.286%0.85767%0.671SS**Hα-helixtrans-36.1-27.1152.8-61.8175.7178.1-178.90113.3R62 M63 A64K60-R62 PolarHBondContact O-N 3.49Å; K60-M63 PolarHBondContact O-N 3.1Å; K60-A64 WeakPolarHBondContact O-CB 3.22Å; K60-A64 PolarHBondContact O-N 3.02Å
61I58.7Low54Low110 Ų110128.2 Ų128.256%0.56466%0.656SS**Hα-helixtrans-57.1-41.7173.9-53.4169.1000112.6S59 A64 I65S59-I61 PolarHBondContact O-N 3.47Å; I61-A64 PolarHBondContact O-N 3.09Å; I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CB 3.16Å; I61-I65 WeakPolarHBondContact O-CD1 3.26Å; I61-I65 WeakPolarHBondContact O-CG1 3.04Å; I61-I65 PolarHBondContact O-N 2.97Å
62R58.2Low55Low169 Ų169125.8 Ų125.864%0.63864%0.642SS**Hα-helixtrans-69.1-38.4179.6-70.7-172.4-160.3-175.36112.9S59 K60 I65 A66S59-R62 PolarHBondContact O-N 3.48Å; K60-R62 PolarHBondContact O-N 3.49Å; R62-I65 PolarHBondContact O-N 2.9Å; R62-A66 PolarHBondContact O-N 2.95Å
63M60.4Low56.2Low139 Ų139117.8 Ų117.869%0.68562%0.621SS**Hα-helixtrans-71-38.5176.2-170170.4157.400111.1K60 I65 A66 L67K60-M63 PolarHBondContact O-N 3.1Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-A66 PolarHBondContact O-N 3.32Å; M63-L67 HydrophobicContact CG-CD1 4.29Å; M63-L67 WeakPolarHBondContact O-CB 3.46Å; M63-L67 PolarHBondContact O-N 2.97Å
64A59.3Low57.8Low56 Ų56114.7 Ų114.746%0.46361%0.613SS.*Hα-helixtrans-63.2-37.5170.600000112.4K60 I61 L67 A68K60-A64 WeakPolarHBondContact O-CB 3.22Å; K60-A64 PolarHBondContact O-N 3.02Å; I61-A64 PolarHBondContact O-N 3.09Å; A64-L67 PolarHBondContact O-N 2.85Å; A64-A68 WeakPolarHBondContact O-CB 2.99Å; A64-A68 PolarHBondContact O-N 2.99Å
65I63.1Low59.5Low101 Ų101112.7 Ų112.752%0.51860%0.595SS.*Hα-helixtrans-65.7-42.5173.8-71.8162.5000110.8I61 R62 M63 A68 K69I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.39Å; I61-I65 WeakPolarHBondContact O-CB 3.16Å; I61-I65 WeakPolarHBondContact O-CD1 3.26Å; I61-I65 WeakPolarHBondContact O-CG1 3.04Å; I61-I65 PolarHBondContact O-N 2.97Å; R62-I65 PolarHBondContact O-N 2.9Å; M63-I65 VanDerWaalsContact C-N 3.35Å; I65-A68 PolarHBondContact O-N 3.42Å; I65-K69 WeakPolarHBondContact O-CB 3.48Å; I65-K69 PolarHBondContact O-N 3.41Å
66A62.6Low61Low58 Ų58112.1 Ų112.148%0.47958%0.578SS.*Hα-helixtrans-64.8-42176.200000112.1R62 M63 K69 I70R62-A66 PolarHBondContact O-N 2.95Å; M63-A66 PolarHBondContact O-N 3.32Å; A66-K69 PolarHBondContact O-N 3.47Å; A66-I70 WeakPolarHBondContact O-CG1 3.4Å; A66-I70 PolarHBondContact O-N 2.87Å
67L61.2Low62.4Low95 Ų95112.9 Ų112.950%0.49757%0.574SS.*Hα-helixtrans-66.9-40.2175-87.3156000112.8M63 A64 K69 I70M63-L67 HydrophobicContact CG-CD1 4.29Å; M63-L67 WeakPolarHBondContact O-CB 3.46Å; M63-L67 PolarHBondContact O-N 2.97Å; A64-L67 PolarHBondContact O-N 2.85Å; L67-K69 PolarHBondContact O-N 3.41Å; L67-I70 HydrophobicContact CD2-CD1 4.43Å; L67-I70 WeakPolarHBondContact O-CB 3.38Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-I70 VanDerWaalsContact O-N 3.17Å
68A60Low63.5Low88 Ų88104.5 Ų104.573%0.72755%0.545SS*.Hα-helixtrans-67.1-25.9175.300000112.6A64 I65 I70A64-A68 WeakPolarHBondContact O-CB 2.99Å; A64-A68 PolarHBondContact O-N 2.99Å; I65-A68 PolarHBondContact O-N 3.42Å; A68-I70 VanDerWaalsContact C-N 3.33Å
69K65Low64.5Low182 Ų182105.3 Ų105.379%0.79155%0.545SS*.Hα-helixtrans-78.8-16.4175.3-151.9174.5-174-179.10112.7I65 A66 L67I65-K69 WeakPolarHBondContact O-CB 3.48Å; I65-K69 PolarHBondContact O-N 3.41Å; A66-K69 PolarHBondContact O-N 3.47Å; L67-K69 PolarHBondContact O-N 3.41Å
70I65.9Low65Low84 Ų84107.9 Ų107.943%0.43156%0.556SS.*SBendtrans-77124.3172.5-63.9167.1000108.1A66 L67 A68 R72 L75A66-I70 WeakPolarHBondContact O-CG1 3.4Å; A66-I70 PolarHBondContact O-N 2.87Å; L67-I70 HydrophobicContact CD2-CD1 4.43Å; L67-I70 WeakPolarHBondContact O-CB 3.38Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-I70 VanDerWaalsContact O-N 3.17Å; A68-I70 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.03Å; I70-L75 HydrophobicContact CG2-CB 4.16Å; I70-L75 HydrophobicContact CG2-CD1 3.98Å
71N68.6Low65.6Low112 Ų112101.9 Ų101.960%0.59954%0.538SS*.  trans-62.9111.6-178.7-133.4-24.7000109.5T73 T74 L75N71-T73 PolarHBondContact O-N 3.27Å; N71-T73 VanDerWaalsContact O-N 3.1Å; N71-T74 WeakPolarHBondContact O-CB 3.48Å; N71-T74 PolarHBondContact O-N 3.24Å; N71-L75 PolarHBondContact O-N 3.36Å; N71-L75 VanDerWaalsContact O-N 3.09Å
72R60.5Low66.1Low124 Ų124101.6 Ų101.647%0.46854%0.537SS..Hα-helixtrans-52.6-36.3-174.8-170.6178.5-175.2140.115112.1I70 L75 I76 E176 R180I70-R72 PolarHBondContact O-N 3.03Å; R72-L75 PolarHBondContact O-N 3.25Å; R72-I76 HydrophobicContact CG-CD1 3.87Å; R72-I76 WeakPolarHBondContact O-CB 3.37Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.35Å; R72-I76 PolarHBondContact O-N 3.43Å; R72-E176 IonicContact CZ-OE1 3.71Å; R72-E176 IonicContact NH1-OE1 3.96Å; R72-E176 IonicContact NH2-OE1 2.74Å; R72-E176 PolarHBondContact NH2-OE1 2.61Å; R72-R180 VanDerWaalsContact CZ-CZ 3.48Å; R72-R180 VanDerWaalsContact NH1-NH2 3.18Å; R72-R180 VanDerWaalsContact NH2-NH2 3.17Å
73T66.8Low66.6Low85 Ų8597 Ų9752%0.52153%0.53SS..Hα-helixtrans-66.4-38.3176.947.10000113N71 R77N71-T73 PolarHBondContact O-N 3.27Å; N71-T73 VanDerWaalsContact O-N 3.1Å; T73-R77 WeakPolarHBondContact O-CB 3.34Å; T73-R77 PolarHBondContact O-N 3.39Å
74T70.7Confident66.9Low89 Ų89100.1 Ų100.155%0.54654%0.535SS..Hα-helixtrans-72.1-38.7176.8-51.60000111.3N71 R77 G78N71-T74 WeakPolarHBondContact O-CB 3.48Å; N71-T74 PolarHBondContact O-N 3.24Å; T74-R77 PolarHBondContact O-N 2.84Å; T74-G78 PolarHBondContact O-N 2.86Å
75L71.7Confident67.1Low77 Ų77100.4 Ų100.440%0.40353%0.533SS..Hα-helixtrans-67.8-45176.9-169.5147.3000111.5I70 N71 R72 R77 G78 L79I70-L75 HydrophobicContact CG2-CB 4.16Å; I70-L75 HydrophobicContact CG2-CD1 3.98Å; N71-L75 PolarHBondContact O-N 3.36Å; N71-L75 VanDerWaalsContact O-N 3.09Å; R72-L75 PolarHBondContact O-N 3.25Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 3.43Å; L75-G78 PolarHBondContact O-N 2.87Å; L75-L79 HydrophobicContact CD2-CD1 4.26Å; L75-L79 WeakPolarHBondContact O-CB 3.23Å; L75-L79 PolarHBondContact O-N 2.93Å
76I70.5Confident67Low83 Ų8399.2 Ų99.243%0.42653%0.534SS..Hα-helixtrans-62.9-40.3175.1-68.3167.3000110.8R72 L79 N80R72-I76 HydrophobicContact CG-CD1 3.87Å; R72-I76 WeakPolarHBondContact O-CB 3.37Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.35Å; R72-I76 PolarHBondContact O-N 3.43Å; I76-L79 PolarHBondContact O-N 2.83Å; I76-N80 VanDerWaalsContact O-CB 3.25Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.39Å; I76-N80 PolarHBondContact O-ND2 3.47Å
77R72.5Confident67.1Low186 Ų186103.2 Ų103.270%0.70254%0.54SS*.Hα-helixtrans-66.1-39.9176.9-171.5176.4-64.2170.80.5112T73 T74 L75 N80 S81T73-R77 WeakPolarHBondContact O-CB 3.34Å; T73-R77 PolarHBondContact O-N 3.39Å; T74-R77 PolarHBondContact O-N 2.84Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 3.43Å; R77-N80 PolarHBondContact O-N 3.47Å; R77-S81 PolarHBondContact O-N 2.91Å; R77-S81 PolarHBondContact O-OG 3.19Å
78G73.1Confident67.2Low26 Ų26102.3 Ų102.327%0.26854%0.542SS..Hα-helixtrans-66.8-43.4174.400000112.7T74 L75 N80 S81 I82T74-G78 PolarHBondContact O-N 2.86Å; L75-G78 PolarHBondContact O-N 2.87Å; G78-N80 VanDerWaalsContact C-N 3.34Å; G78-N80 PolarHBondContact O-N 2.8Å; G78-S81 PolarHBondContact O-N 3.02Å; G78-S81 PolarHBondContact O-OG 3.38Å; G78-I82 WeakPolarHBondContact O-CB 3.49Å; G78-I82 WeakPolarHBondContact O-CD1 3.46Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 2.9Å
79L71.3Confident67.1Low109 Ų109101.8 Ų101.857%0.57153%0.53SS*.Hα-helixtrans-64.9-39.1174.8-114.372.2000111.8L75 I76 I82 S83L75-L79 HydrophobicContact CD2-CD1 4.26Å; L75-L79 WeakPolarHBondContact O-CB 3.23Å; L75-L79 PolarHBondContact O-N 2.93Å; I76-L79 PolarHBondContact O-N 2.83Å; L79-I82 PolarHBondContact O-N 3.17Å; L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.83Å
80N68.6Low66.8Low96 Ų9695.7 Ų95.751%0.51351%0.513SS..Hα-helixtrans-68.3-33.7176.5-81-30.7000112.7I76 R77 G78 R84I76-N80 VanDerWaalsContact O-CB 3.25Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.39Å; I76-N80 PolarHBondContact O-ND2 3.47Å; R77-N80 PolarHBondContact O-N 3.47Å; G78-N80 VanDerWaalsContact C-N 3.34Å; G78-N80 PolarHBondContact O-N 2.8Å; N80-R84 WeakPolarHBondContact O-CB 3.32Å; N80-R84 PolarHBondContact O-N 3.42Å
81S68.8Low66.7Low70 Ų7099 Ų9949%0.4953%0.525SS..Hα-helixtrans-71.4-39.317465.50000111.8R77 G78 R84 S85R77-S81 PolarHBondContact O-N 2.91Å; R77-S81 PolarHBondContact O-OG 3.19Å; G78-S81 PolarHBondContact O-N 3.02Å; G78-S81 PolarHBondContact O-OG 3.38Å; S81-R84 PolarHBondContact O-N 3.34Å; S81-S85 WeakPolarHBondContact O-CB 3.45Å; S81-S85 PolarHBondContact O-N 2.8Å; S81-S85 PolarHBondContact O-OG 3.39Å
82I69.2Low66.4Low105 Ų10599.5 Ų99.554%0.53853%0.527SS..Hα-helixtrans-67-40.3173.7-65.7163.7000111.2G78 L79 S85 S86G78-I82 WeakPolarHBondContact O-CB 3.49Å; G78-I82 WeakPolarHBondContact O-CD1 3.46Å; G78-I82 VanDerWaalsContact O-CG1 3.23Å; G78-I82 WeakPolarHBondContact O-CG1 3.43Å; G78-I82 PolarHBondContact O-N 2.9Å; L79-I82 PolarHBondContact O-N 3.17Å; I82-S85 WeakPolarHBondContact CA-OG 3.29Å; I82-S85 PolarHBondContact O-N 3.35Å; I82-S85 PolarHBondContact O-OG 2.91Å; I82-S86 VanDerWaalsContact O-CB 3.22Å; I82-S86 WeakPolarHBondContact O-CB 3.24Å; I82-S86 PolarHBondContact O-N 3.49Å
83S68.6Low66.4Low72 Ų7297.4 Ų97.450%0.50352%0.524SS..Hα-helixtrans-64.1-42.1175.1-178.10000111.3L79 K87L79-S83 WeakPolarHBondContact O-CB 3.43Å; L79-S83 PolarHBondContact O-N 2.83Å; S83-K87 VanDerWaalsContact O-CB 3.28Å; S83-K87 WeakPolarHBondContact O-CB 3.38Å; S83-K87 PolarHBondContact O-N 2.82Å
84R66.8Low66.5Low204 Ų204100.1 Ų100.177%0.7753%0.531SS*.Hα-helixtrans-65.6-41.5173.4-86.2-175.9175.4177.2-1.1112.6N80 S81 K87 S88N80-R84 WeakPolarHBondContact O-CB 3.32Å; N80-R84 PolarHBondContact O-N 3.42Å; S81-R84 PolarHBondContact O-N 3.34Å; R84-K87 PolarHBondContact O-N 3.29Å; R84-S88 WeakPolarHBondContact O-CB 3.4Å; R84-S88 PolarHBondContact O-N 3.33Å
85S64.3Low66.5Low62 Ų6299.2 Ų99.243%0.43453%0.526SS..Hα-helixtrans-67.5-42.1178.270.10000111.2S81 I82 K87 S88 V89S81-S85 WeakPolarHBondContact O-CB 3.45Å; S81-S85 PolarHBondContact O-N 2.8Å; S81-S85 PolarHBondContact O-OG 3.39Å; I82-S85 WeakPolarHBondContact CA-OG 3.29Å; I82-S85 PolarHBondContact O-N 3.35Å; I82-S85 PolarHBondContact O-OG 2.91Å; S85-K87 PolarHBondContact O-N 3.45Å; S85-S88 WeakPolarHBondContact O-CB 3.12Å; S85-S88 PolarHBondContact O-N 3.33Å; S85-S88 VanDerWaalsContact O-N 3.16Å; S85-V89 WeakPolarHBondContact O-CG2 3.31Å; S85-V89 PolarHBondContact O-N 3.18Å
86S61.3Low66.4Low76 Ų76101.2 Ų101.253%0.53153%0.534SS..Hα-helixtrans-60.4-44.7173178.70000111.9I82 S88 V89 A90I82-S86 VanDerWaalsContact O-CB 3.22Å; I82-S86 WeakPolarHBondContact O-CB 3.24Å; I82-S86 PolarHBondContact O-N 3.49Å; S86-S88 VanDerWaalsContact C-N 3.29Å; S86-S88 PolarHBondContact O-N 3.43Å; S86-V89 PolarHBondContact O-N 2.78Å; S86-A90 VanDerWaalsContact O-CB 3.26Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 3.41Å
87K64.7Low66.3Low142 Ų142102.1 Ų102.162%0.61754%0.539SS*.Hα-helixtrans-65.9-30.9175.5-165.6169.8-174.4171.10112.6S83 R84 S85 K91S83-K87 VanDerWaalsContact O-CB 3.28Å; S83-K87 WeakPolarHBondContact O-CB 3.38Å; S83-K87 PolarHBondContact O-N 2.82Å; R84-K87 PolarHBondContact O-N 3.29Å; S85-K87 PolarHBondContact O-N 3.45Å; K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 VanDerWaalsContact O-CG 3.32Å; K87-K91 WeakPolarHBondContact O-CG 3.33Å; K87-K91 PolarHBondContact O-N 2.95Å
88S61.7Low66.2Low76 Ų7695.4 Ų95.453%0.53152%0.523SS..Hα-helixtrans-71.9-45.1174.9-165.80000111.7R84 S85 S86 K91 L92R84-S88 WeakPolarHBondContact O-CB 3.4Å; R84-S88 PolarHBondContact O-N 3.33Å; S85-S88 WeakPolarHBondContact O-CB 3.12Å; S85-S88 PolarHBondContact O-N 3.33Å; S85-S88 VanDerWaalsContact O-N 3.16Å; S86-S88 VanDerWaalsContact C-N 3.29Å; S86-S88 PolarHBondContact O-N 3.43Å; S88-K91 WeakPolarHBondContact O-CB 3.28Å; S88-K91 PolarHBondContact O-N 2.85Å; S88-L92 PolarHBondContact O-N 3.16Å
89V58.8Low66.1Low78 Ų7897.7 Ų97.747%0.47353%0.534SS..Hα-helixtrans-65.3-40.5175.3172.40000110.6S85 S86 L92 L93S85-V89 WeakPolarHBondContact O-CG2 3.31Å; S85-V89 PolarHBondContact O-N 3.18Å; S86-V89 PolarHBondContact O-N 2.78Å; V89-L92 PolarHBondContact O-N 2.91Å; V89-L93 HydrophobicContact CG1-CD1 3.53Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CB 3.45Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 2.83Å
90A59.7Low66.1Low54 Ų5499.8 Ų99.845%0.44654%0.535SS..Hα-helixtrans-61.4-44.217200000111.1S86 L92 L93 H94S86-A90 VanDerWaalsContact O-CB 3.26Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 3.41Å; A90-L92 VanDerWaalsContact C-N 3.27Å; A90-L92 PolarHBondContact O-N 2.92Å; A90-L93 PolarHBondContact O-N 3.21Å; A90-H94 WeakPolarHBondContact O-CB 3.42Å; A90-H94 PolarHBondContact O-N 3.4Å
91K62.6Low66.3Low153 Ų153100.5 Ų100.567%0.66554%0.538SS*.Hα-helixtrans-62.4-31174.4-84-177.7176-170.60113.6K87 S88 P95K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 VanDerWaalsContact O-CG 3.32Å; K87-K91 WeakPolarHBondContact O-CG 3.33Å; K87-K91 PolarHBondContact O-N 2.95Å; S88-K91 WeakPolarHBondContact O-CB 3.28Å; S88-K91 PolarHBondContact O-N 2.85Å; K91-P95 WeakPolarHBondContact O-CD 3.4Å
92L63.3Low66.7Low123 Ų123102.3 Ų102.364%0.64454%0.541SS*.Hα-helixtrans-79-42.1178-173.767000112S88 V89 A90 P95S88-L92 PolarHBondContact O-N 3.16Å; V89-L92 PolarHBondContact O-N 2.91Å; A90-L92 VanDerWaalsContact C-N 3.27Å; A90-L92 PolarHBondContact O-N 2.92Å; L92-P95 WeakPolarHBondContact O-CD 3.24Å; L92-P95 WeakPolarHBondContact O-CG 3.35Å
93L59.9Low67.1Low80 Ų80101.8 Ų101.842%0.41954%0.537SS..Hα-helixtrans-78.2-31.7-178.8-70.9172.3000112.7V89 A90 Q96 L97V89-L93 HydrophobicContact CG1-CD1 3.53Å; V89-L93 HydrophobicContact CG1-CG 4.16Å; V89-L93 WeakPolarHBondContact O-CB 3.45Å; V89-L93 WeakPolarHBondContact O-CG 3.39Å; V89-L93 PolarHBondContact O-N 2.83Å; A90-L93 PolarHBondContact O-N 3.21Å; L93-Q96 PolarHBondContact O-N 2.95Å; L93-L97 HydrophobicContact CB-CD1 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.35Å; L93-L97 PolarHBondContact O-N 2.86Å
94H69.1Low67.4Low141 Ų141103.8 Ų103.865%0.65354%0.541SS*.Hα-helixtrans-56.3-48.3-178.2-166.4-80.8000113.9A90 A98A90-H94 WeakPolarHBondContact O-CB 3.42Å; A90-H94 PolarHBondContact O-N 3.4Å; H94-A98 WeakPolarHBondContact O-CB 3.37Å; H94-A98 PolarHBondContact O-N 3.36Å
95P69.8Low67.9Low70 Ų70102.8 Ų102.846%0.45554%0.538SS..Hα-helixtrans-67.1-36.8176.125.6-33.6000112.1K91 L92 A98 C99K91-P95 WeakPolarHBondContact O-CD 3.4Å; L92-P95 WeakPolarHBondContact O-CD 3.24Å; L92-P95 WeakPolarHBondContact O-CG 3.35Å; P95-A98 PolarHBondContact O-N 2.97Å; P95-C99 WeakPolarHBondContact O-CB 3.41Å; P95-C99 PolarHBondContact O-N 2.84Å; P95-C99 PolarHBondContact O-SG 2.98Å
96Q69.6Low68.4Low119 Ų119103.5 Ų103.556%0.55654%0.536SS*.Hα-helixtrans-69.3-42.2-179.4-165.9172.7-900111.8L93 R100L93-Q96 PolarHBondContact O-N 2.95Å; Q96-R100 WeakPolarHBondContact O-CB 3.24Å; Q96-R100 VanDerWaalsContact O-CG 3.24Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 3.25Å
97L68.8Low69.4Low102 Ų102104.3 Ų104.353%0.53453%0.534SS..Hα-helixtrans-67.3-41.7173.4-81.7160.1000111.7L93 R100 L101L93-L97 HydrophobicContact CB-CD1 4.15Å; L93-L97 WeakPolarHBondContact O-CB 3.35Å; L93-L97 PolarHBondContact O-N 2.86Å; L97-R100 PolarHBondContact O-N 3.32Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.5Å
98A70.5Confident69.7Low45 Ų4599.9 Ų99.937%0.37252%0.521SS..Hα-helixtrans-61.1-46.4176.600000111.3H94 P95 L101 L102H94-A98 WeakPolarHBondContact O-CB 3.37Å; H94-A98 PolarHBondContact O-N 3.36Å; P95-A98 PolarHBondContact O-N 2.97Å; A98-L101 PolarHBondContact O-N 2.97Å; A98-L102 WeakPolarHBondContact O-CB 3.49Å; A98-L102 PolarHBondContact O-N 3.47Å
99C71.5Confident70.2Confident75 Ų7597.9 Ų97.951%0.50751%0.512SS..Hα-helixtrans-61-45.9175.6-70.90000111.8P95 L101 L102 E103P95-C99 WeakPolarHBondContact O-CB 3.41Å; P95-C99 PolarHBondContact O-N 2.84Å; P95-C99 PolarHBondContact O-SG 2.98Å; C99-L101 PolarHBondContact O-N 3.44Å; C99-L102 PolarHBondContact O-N 3.42Å; C99-E103 WeakPolarHBondContact O-CG 3.33Å; C99-E103 PolarHBondContact O-N 2.83Å
100R70.3Confident71Confident152 Ų152101.4 Ų101.457%0.57452%0.517SS*.Hα-helixtrans-65.2-37.9178.6-70.3-59.6-173-163.20.7113Q96 L97 L102 E103 L104Q96-R100 WeakPolarHBondContact O-CB 3.24Å; Q96-R100 VanDerWaalsContact O-CG 3.24Å; Q96-R100 WeakPolarHBondContact O-CG 3.36Å; Q96-R100 PolarHBondContact O-N 3.25Å; L97-R100 PolarHBondContact O-N 3.32Å; R100-L102 VanDerWaalsContact C-N 3.35Å; R100-E103 WeakPolarHBondContact CD-OE2 3.23Å; R100-E103 IonicContact CZ-OE2 3.72Å; R100-E103 IonicContact NE-OE2 3.97Å; R100-E103 IonicContact NH1-OE1 3.7Å; R100-E103 IonicContact NH1-OE2 2.74Å; R100-E103 PolarHBondContact NH1-OE2 2.96Å; R100-L104 WeakPolarHBondContact O-CB 3.46Å; R100-L104 PolarHBondContact O-N 2.93Å
101L73.8Confident71.4Confident112 Ų112103.4 Ų103.459%0.58652%0.52SS*.Hα-helixtrans-68-35.6174.4-74.9170.9000111.8L97 A98 C99 L104 R105L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 VanDerWaalsContact O-CG 3.28Å; L97-L101 WeakPolarHBondContact O-CG 3.37Å; L97-L101 PolarHBondContact O-N 3.5Å; A98-L101 PolarHBondContact O-N 2.97Å; C99-L101 PolarHBondContact O-N 3.44Å; L101-L104 PolarHBondContact O-N 3.35Å; L101-R105 VanDerWaalsContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CB 3.24Å; L101-R105 PolarHBondContact O-N 2.96Å
102L75.7Confident71.6Confident107 Ų107101.1 Ų101.156%0.5651%0.514SS*.Hα-helixtrans-68.5-43.1175.7-131.7161.5000111.3A98 C99 R100 L104 R105 D106A98-L102 WeakPolarHBondContact O-CB 3.49Å; A98-L102 PolarHBondContact O-N 3.47Å; C99-L102 PolarHBondContact O-N 3.42Å; R100-L102 VanDerWaalsContact C-N 3.35Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.44Å; L102-R105 WeakPolarHBondContact O-CB 3.26Å; L102-R105 PolarHBondContact O-N 3.44Å; L102-D106 WeakPolarHBondContact O-CB 3.48Å; L102-D106 PolarHBondContact O-N 3.5Å
103E78.8Confident71.7Confident94 Ų94105 Ų10544%0.43952%0.52SS..Hα-helixtrans-58.9-45.7171.9-74.7175179.600111.2C99 R100 R105 D106 I107C99-E103 WeakPolarHBondContact O-CG 3.33Å; C99-E103 PolarHBondContact O-N 2.83Å; R100-E103 WeakPolarHBondContact CD-OE2 3.23Å; R100-E103 IonicContact CZ-OE2 3.72Å; R100-E103 IonicContact NE-OE2 3.97Å; R100-E103 IonicContact NH1-OE1 3.7Å; R100-E103 IonicContact NH1-OE2 2.74Å; R100-E103 PolarHBondContact NH1-OE2 2.96Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 3.42Å; E103-D106 PolarHBondContact O-N 2.85Å; E103-I107 WeakPolarHBondContact O-CB 3.44Å; E103-I107 WeakPolarHBondContact O-CD1 3.12Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.3Å; E103-I107 PolarHBondContact O-N 3.45Å
104L75.4Confident72Confident115 Ų115108.1 Ų108.160%0.60253%0.532SS*.Hα-helixtrans-64.2-37.6176.9-149.285.9000111.7R100 L101 L102 S108R100-L104 WeakPolarHBondContact O-CB 3.46Å; R100-L104 PolarHBondContact O-N 2.93Å; L101-L104 PolarHBondContact O-N 3.35Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.44Å; L104-S108 VanDerWaalsContact O-CB 3.26Å; L104-S108 WeakPolarHBondContact O-CB 3.38Å; L104-S108 PolarHBondContact O-N 3.31Å; L104-S108 PolarHBondContact O-OG 3.41Å
105R75.5Confident71.5Confident183 Ų183106.6 Ų106.669%0.69153%0.533SS*.Hα-helixtrans-65.8-39.1175.2-163.4-174.298.3174.76.9111.7L101 L102 E103 S108 G109L101-R105 VanDerWaalsContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CB 3.24Å; L101-R105 PolarHBondContact O-N 2.96Å; L102-R105 WeakPolarHBondContact O-CB 3.26Å; L102-R105 PolarHBondContact O-N 3.44Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R105 PolarHBondContact O-N 3.42Å; R105-S108 VanDerWaalsContact CA-OG 3.3Å; R105-S108 WeakPolarHBondContact CA-OG 3.22Å; R105-S108 PolarHBondContact O-OG 2.82Å; R105-G109 PolarHBondContact O-N 2.9Å
106D76.3Confident70.9Confident76 Ų76109 Ų10941%0.40654%0.542SS..Hα-helixtrans-72.7-39.9179.1-163.631.9000111.3L102 E103 G109 R110L102-D106 WeakPolarHBondContact O-CB 3.48Å; L102-D106 PolarHBondContact O-N 3.5Å; E103-D106 PolarHBondContact O-N 2.85Å; D106-G109 PolarHBondContact O-N 3.49Å; D106-R110 WeakPolarHBondContact O-CB 3.47Å; D106-R110 WeakPolarHBondContact O-CG 3.48Å; D106-R110 PolarHBondContact O-N 2.94Å; D106-R110 IonicContact OD1-CZ 3.97Å; D106-R110 IonicContact OD2-CZ 3.19Å; D106-R110 IonicContact OD2-NH1 3.41Å; D106-R110 PolarHBondContact OD2-NH1 2.84Å; D106-R110 IonicContact OD2-NH2 2.62Å; D106-R110 PolarHBondContact OD2-NH2 2.84Å
107I81.3Confident70.4Confident93 Ų93107.6 Ų107.648%0.47754%0.541SS..Hα-helixtrans-64.7-48.1173.4-66.3164.1000110.7E103 G109 R110 L111E103-I107 WeakPolarHBondContact O-CB 3.44Å; E103-I107 WeakPolarHBondContact O-CD1 3.12Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.3Å; E103-I107 PolarHBondContact O-N 3.45Å; I107-G109 VanDerWaalsContact C-N 3.34Å; I107-G109 PolarHBondContact O-N 3.22Å; I107-R110 PolarHBondContact O-N 3.47Å; I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.37Å; I107-L111 PolarHBondContact O-N 3.4Å
108S71.4Confident69.5Low50 Ų50108.2 Ų108.235%0.3555%0.552SS.*Hα-helixtrans-65.1-37.4177.357.20000112.2L104 R105 L111 L112L104-S108 VanDerWaalsContact O-CB 3.26Å; L104-S108 WeakPolarHBondContact O-CB 3.38Å; L104-S108 PolarHBondContact O-N 3.31Å; L104-S108 PolarHBondContact O-OG 3.41Å; R105-S108 VanDerWaalsContact CA-OG 3.3Å; R105-S108 WeakPolarHBondContact CA-OG 3.22Å; R105-S108 PolarHBondContact O-OG 2.82Å; S108-L111 PolarHBondContact O-N 2.98Å; S108-L112 VanDerWaalsContact O-CB 3.24Å; S108-L112 WeakPolarHBondContact O-CB 3.22Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 2.62Å
109G73.2Confident68.7Low33 Ų33116.2 Ų116.234%0.3457%0.572SS.*Hα-helixtrans-64.7-41.3174.500000112.8R105 D106 I107 R113R105-G109 PolarHBondContact O-N 2.9Å; D106-G109 PolarHBondContact O-N 3.49Å; I107-G109 VanDerWaalsContact C-N 3.34Å; I107-G109 PolarHBondContact O-N 3.22Å; G109-R113 VanDerWaalsContact O-CB 3.23Å; G109-R113 WeakPolarHBondContact O-CB 3.43Å; G109-R113 PolarHBondContact O-N 3.02Å
110R75.1Confident67.6Low152 Ų152120.3 Ų120.357%0.57458%0.584SS**Hα-helixtrans-63.5-46.7172.4-81.4-167.9-92.9-106.20.4111.8D106 I107 R113 E114D106-R110 WeakPolarHBondContact O-CB 3.47Å; D106-R110 WeakPolarHBondContact O-CG 3.48Å; D106-R110 PolarHBondContact O-N 2.94Å; D106-R110 IonicContact OD1-CZ 3.97Å; D106-R110 IonicContact OD2-CZ 3.19Å; D106-R110 IonicContact OD2-NH1 3.41Å; D106-R110 PolarHBondContact OD2-NH1 2.84Å; D106-R110 IonicContact OD2-NH2 2.62Å; D106-R110 PolarHBondContact OD2-NH2 2.84Å; I107-R110 PolarHBondContact O-N 3.47Å; R110-R113 PolarHBondContact O-N 3.34Å; R110-E114 VanDerWaalsContact O-CB 3.31Å; R110-E114 WeakPolarHBondContact O-CB 3.48Å; R110-E114 PolarHBondContact O-N 2.93Å
111L68.4Low66.7Low97 Ų97119.1 Ų119.151%0.50860%0.596SS.*Hα-helixtrans-63.1-42.5177.1-73.4167.5000112.1I107 S108 E114 V115I107-L111 HydrophobicContact CG2-CD1 3.87Å; I107-L111 WeakPolarHBondContact O-CB 3.46Å; I107-L111 VanDerWaalsContact O-CG 3.31Å; I107-L111 WeakPolarHBondContact O-CG 3.37Å; I107-L111 PolarHBondContact O-N 3.4Å; S108-L111 PolarHBondContact O-N 2.98Å; L111-E114 PolarHBondContact O-N 3.45Å; L111-V115 WeakPolarHBondContact O-CB 3.21Å; L111-V115 WeakPolarHBondContact O-CG2 3.46Å; L111-V115 PolarHBondContact O-N 2.81Å
112L65.8Low65.3Low104 Ų104121.3 Ų121.355%0.54561%0.607SS.*Hα-helixtrans-64.8-40.8175.6-89.2157.9000111.6S108 V115 N116S108-L112 VanDerWaalsContact O-CB 3.24Å; S108-L112 WeakPolarHBondContact O-CB 3.22Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 2.62Å; L112-V115 PolarHBondContact O-N 2.84Å; L112-N116 VanDerWaalsContact O-CB 3.24Å; L112-N116 WeakPolarHBondContact O-CB 3.26Å; L112-N116 PolarHBondContact O-N 3.18Å
113R66.2Low63.6Low204 Ų204126.3 Ų126.377%0.7762%0.62SS**Hα-helixtrans-67.7-38.6177.2-171-179.5-90.6-161.3-4.9111.2G109 R110 N116 V117G109-R113 VanDerWaalsContact O-CB 3.23Å; G109-R113 WeakPolarHBondContact O-CB 3.43Å; G109-R113 PolarHBondContact O-N 3.02Å; R110-R113 PolarHBondContact O-N 3.34Å; R113-N116 PolarHBondContact O-N 3.23Å; R113-V117 WeakPolarHBondContact O-CG2 3.48Å; R113-V117 PolarHBondContact O-N 2.82Å; R113-V117 VanDerWaalsContact O-N 3.09Å
114E64.9Low62.1Low146 Ų146128.1 Ų128.168%0.68263%0.633SS**Hα-helixtrans-66.5-37.8175.3-169.3170.3-172.500112.1R110 L111R110-E114 VanDerWaalsContact O-CB 3.31Å; R110-E114 WeakPolarHBondContact O-CB 3.48Å; R110-E114 PolarHBondContact O-N 2.93Å; L111-E114 PolarHBondContact O-N 3.45Å
115V60Low60.8Low110 Ų110128.9 Ų128.967%0.66764%0.642SS**Hα-helixtrans-73.9-31.4175172.10000112.4L111 L112L111-V115 WeakPolarHBondContact O-CB 3.21Å; L111-V115 WeakPolarHBondContact O-CG2 3.46Å; L111-V115 PolarHBondContact O-N 2.81Å; L112-V115 PolarHBondContact O-N 2.84Å
116N56.9Low59.1Low119 Ų119129.5 Ų129.564%0.63665%0.653SS**THydrogen-bonded Turntrans-967.6-178.7-82.4-17.6000114.8L112 R113 P118L112-N116 VanDerWaalsContact O-CB 3.24Å; L112-N116 WeakPolarHBondContact O-CB 3.26Å; L112-N116 PolarHBondContact O-N 3.18Å; R113-N116 PolarHBondContact O-N 3.23Å; N116-P118 WeakPolarHBondContact O-CD 3.35Å
117V59.3Low57.9Low91 Ų91132.8 Ų132.855%0.55268%0.676SS**SBendtrans-60.9123.5172.7-179.80000108.6R113 R119R113-V117 WeakPolarHBondContact O-CG2 3.48Å; R113-V117 PolarHBondContact O-N 2.82Å; R113-V117 VanDerWaalsContact O-N 3.09Å; V117-R119 PolarHBondContact O-N 2.94Å
118P49.8Very low56.3Low115 Ų115139.6 Ų139.675%0.74770%0.695SS**  trans-62.6107.6173.2-15.428.4000108.3N116 Q120N116-P118 WeakPolarHBondContact O-CD 3.35Å; P118-Q120 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 3.36Å
119R54.4Low55.1Low213 Ų213147.4 Ų147.480%0.80472%0.723SS**  trans-63.997.3171.8-81.4-176.2174.2154.30.5107.9V117V117-R119 PolarHBondContact O-N 2.94Å
120Q47.4Very low53.8Low161 Ų161148.1 Ų148.175%0.75273%0.731SS**  trans-58.9141.4162.4-83.6-176.7-16.600108.9P118 L122P118-Q120 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 3.36Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.19Å
121P51Low52.6Low127 Ų127144.4 Ų144.483%0.82573%0.728SS**  trans-78.784.9-174.732.8-32.1000108.8Y123P121-Y123 PolarHBondContact O-N 3.35Å; P121-Y123 VanDerWaalsContact O-N 3.16Å
122L44Very low51.7Low157 Ų157146 Ų14682%0.82274%0.736SS**  trans-80.895.1167.5-69.4178.4000108.5Q120 N124Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.19Å; L122-N124 PolarHBondContact O-N 3.43Å
123Y39.9Very low50.8Low213 Ų213149.5 Ų149.584%0.83575%0.747SS**  trans-56.5130.5164.6-142.6-100.4000109P121P121-Y123 PolarHBondContact O-N 3.35Å; P121-Y123 VanDerWaalsContact O-N 3.16Å
124N47.6Very low50Low131 Ų131145.8 Ų145.870%0.70174%0.739SS**SBendtrans75.4129.5170.3-80.9-29.8000119.6L122L122-N124 PolarHBondContact O-N 3.43Å
125T47.9Very low49.3Very low132 Ų132144 Ų14481%0.8173%0.732SS**SBendtrans78.768.2166.575.30000119.4
126Q40.7Very low48.9Very low195 Ų195144.5 Ų144.591%0.91173%0.73SS**  -167.995.3121.4-112.2172.64.900111
127V50.1Low48.7Very low146 Ų146140.6 Ų140.689%0.88571%0.713SS**  trans-64.5137.6166.6179.50000108.2
128R48.7Very low48.3Very low235 Ų235144 Ų14489%0.88772%0.72SS**SBendtrans101.633.9157.3-145.7-178.5-162.4160.16.2120.6
129K45.2Very low48.5Very low214 Ų214142.6 Ų142.693%0.9371%0.711SS**SBendtrans-139.613.6162.5-72.9-169.7179.9175.20116.1
130G46.5Very low48.6Very low49 Ų49134.7 Ų134.751%0.50569%0.691SS.*SBendtrans-95-24.1-169.600000118.2
131S50.8Low49Very low73 Ų73134 Ų13451%0.5169%0.686SS.*SBendtrans-107.8-24.3-156.6158.80000116.5I135S131-I135 VanDerWaalsContact O-CD1 3.32Å; S131-I135 WeakPolarHBondContact O-CD1 3.19Å; S131-I135 VanDerWaalsContact O-CG1 3.27Å; S131-I135 WeakPolarHBondContact O-CG1 3.45Å; S131-I135 PolarHBondContact O-N 2.91Å; S131-I135 WeakPolarHBondContact OG-CD1 3.39Å
132L49Very low49.4Very low130 Ų130131.9 Ų131.968%0.68167%0.67SS**Hα-helixtrans-80.3-27.9-173.6-65.5174.9000113.6I136L132-I136 WeakPolarHBondContact O-CD1 3.39Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.31Å; L132-I136 PolarHBondContact O-N 2.97Å
133F47.6Very low50.1Low179 Ų179126.5 Ų126.579%0.78565%0.649SS**Hα-helixtrans-74.1-34.1178.4-148.4-96000111.3S137F133-S137 WeakPolarHBondContact O-CA 2.96Å; F133-S137 WeakPolarHBondContact O-CB 3.44Å; F133-S137 PolarHBondContact O-N 3.27Å; F133-S137 PolarHBondContact O-OG 2.93Å
134E48.1Very low50.9Low125 Ų125121.5 Ų121.558%0.58464%0.636SS**Hα-helixtrans-66.3-39.8173.1-96.9172.3170.500112.7S137 F138E134-S137 WeakPolarHBondContact CA-OG 3.44Å; E134-S137 PolarHBondContact O-OG 3.43Å; E134-F138 PolarHBondContact O-N 3.42Å
135I50.4Low51.5Low108 Ų108118.3 Ų118.355%0.55462%0.621SS**Hα-helixtrans-71.8-35.4-178.1-63.2165.9000111.8S131 P139S131-I135 VanDerWaalsContact O-CD1 3.32Å; S131-I135 WeakPolarHBondContact O-CD1 3.19Å; S131-I135 VanDerWaalsContact O-CG1 3.27Å; S131-I135 WeakPolarHBondContact O-CG1 3.45Å; S131-I135 PolarHBondContact O-N 2.91Å; S131-I135 WeakPolarHBondContact OG-CD1 3.39Å; I135-P139 WeakPolarHBondContact O-CD 3.31Å
136I51.8Low52.4Low121 Ų121115.2 Ų115.262%0.62161%0.605SS**Hα-helixtrans-87.9-26.1178.8-53163.7000111.8L132 P139 A140L132-I136 WeakPolarHBondContact O-CD1 3.39Å; L132-I136 VanDerWaalsContact O-CG1 3.23Å; L132-I136 WeakPolarHBondContact O-CG1 3.31Å; L132-I136 PolarHBondContact O-N 2.97Å; I136-P139 WeakPolarHBondContact O-CD 3.35Å; I136-A140 WeakPolarHBondContact O-CB 3.3Å
137S52.7Low53.6Low38 Ų38110.6 Ų110.627%0.26659%0.586SS.*Hα-helixtrans-76.8-21177.6610000113F133 E134 A140 K141F133-S137 WeakPolarHBondContact O-CA 2.96Å; F133-S137 WeakPolarHBondContact O-CB 3.44Å; F133-S137 PolarHBondContact O-N 3.27Å; F133-S137 PolarHBondContact O-OG 2.93Å; E134-S137 WeakPolarHBondContact CA-OG 3.44Å; E134-S137 PolarHBondContact O-OG 3.43Å; S137-A140 PolarHBondContact O-N 2.94Å; S137-K141 WeakPolarHBondContact O-CA 3.5Å; S137-K141 WeakPolarHBondContact O-CB 3.23Å; S137-K141 PolarHBondContact O-N 3.47Å
138F51.1Low54.5Low162 Ų162108.9 Ų108.971%0.71157%0.571SS**Hα-helixtrans-64.5-47.6179.5-148.3-89.8000112.9E134 T142E134-F138 PolarHBondContact O-N 3.42Å; F138-T142 PolarHBondContact O-N 2.88Å; F138-T142 PolarHBondContact O-OG1 2.9Å
139P54.4Low55.4Low85 Ų85105.8 Ų105.855%0.55256%0.56SS**Hα-helixtrans-71.4-38.6173.4-16.431.6000112.4I135 I136 T142 A143I135-P139 WeakPolarHBondContact O-CD 3.31Å; I136-P139 WeakPolarHBondContact O-CD 3.35Å; P139-T142 PolarHBondContact O-N 3.28Å; P139-A143 WeakPolarHBondContact O-CB 3.34Å; P139-A143 PolarHBondContact O-N 2.86Å
140A55.1Low56.6Low47 Ų4798.5 Ų98.539%0.38854%0.54SS..Hα-helixtrans-68.6-37.2-179.100000112.8I136 S137 A143 L144I136-A140 WeakPolarHBondContact O-CB 3.3Å; S137-A140 PolarHBondContact O-N 2.94Å; A140-A143 PolarHBondContact O-N 3.32Å; A140-L144 WeakPolarHBondContact O-CB 3.19Å; A140-L144 VanDerWaalsContact O-CG 3.29Å; A140-L144 WeakPolarHBondContact O-CG 3.22Å; A140-L144 PolarHBondContact O-N 3.46Å
141K56.5Low57.4Low147 Ų14799.2 Ų99.264%0.63954%0.537SS*.Hα-helixtrans-66.1-43175.3-168.3174.5-174.7179.50110S137 L144 T145S137-K141 WeakPolarHBondContact O-CA 3.5Å; S137-K141 WeakPolarHBondContact O-CB 3.23Å; S137-K141 PolarHBondContact O-N 3.47Å; K141-L144 PolarHBondContact O-N 2.9Å; K141-T145 PolarHBondContact O-N 2.71Å; K141-T145 PolarHBondContact O-OG1 3.03Å
142T59.5Low58.3Low82 Ų82102.7 Ų102.750%0.50354%0.54SS..Hα-helixtrans-61.7-46.6175.2-52.40000111.4F138 P139 T145 S146F138-T142 PolarHBondContact O-N 2.88Å; F138-T142 PolarHBondContact O-OG1 2.9Å; P139-T142 PolarHBondContact O-N 3.28Å; T142-T145 VanDerWaalsContact CA-OG1 3.3Å; T142-T145 WeakPolarHBondContact CA-OG1 3.5Å; T142-T145 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-OG1 2.77Å; T142-S146 PolarHBondContact O-N 2.78Å; T142-S146 PolarHBondContact O-OG 3.41Å
143A59.2Low59.6Low45 Ų4599.3 Ų99.337%0.37253%0.53SS..Hα-helixtrans-64.3-39.4177.400000112.8P139 A140 S146 I147P139-A143 WeakPolarHBondContact O-CB 3.34Å; P139-A143 PolarHBondContact O-N 2.86Å; A140-A143 PolarHBondContact O-N 3.32Å; A143-S146 WeakPolarHBondContact CA-OG 3.47Å; A143-S146 PolarHBondContact O-N 3.25Å; A143-S146 PolarHBondContact O-OG 3.34Å; A143-I147 WeakPolarHBondContact O-CB 3.13Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 VanDerWaalsContact O-CG1 3.22Å; A143-I147 WeakPolarHBondContact O-CG1 3.14Å; A143-I147 PolarHBondContact O-N 3.44Å
144L55.1Low61.1Low107 Ų10793.6 Ų93.656%0.5652%0.517SS*.Hα-helixtrans-66.9-41.7174.5-77167.7000111.3A140 K141 S146 I147 I148A140-L144 WeakPolarHBondContact O-CB 3.19Å; A140-L144 VanDerWaalsContact O-CG 3.29Å; A140-L144 WeakPolarHBondContact O-CG 3.22Å; A140-L144 PolarHBondContact O-N 3.46Å; K141-L144 PolarHBondContact O-N 2.9Å; L144-S146 PolarHBondContact O-N 2.86Å; L144-I147 PolarHBondContact O-N 2.83Å; L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CD1 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.48Å
145T60.9Low61.9Low64 Ų6493.1 Ų93.139%0.39352%0.517SS..Hα-helixtrans-62.3-40.5171.324.30000112.1K141 T142 I147 I148 Y149K141-T145 PolarHBondContact O-N 2.71Å; K141-T145 PolarHBondContact O-OG1 3.03Å; T142-T145 VanDerWaalsContact CA-OG1 3.3Å; T142-T145 WeakPolarHBondContact CA-OG1 3.5Å; T142-T145 PolarHBondContact O-N 3.42Å; T142-T145 PolarHBondContact O-OG1 2.77Å; T145-I147 VanDerWaalsContact C-N 3.33Å; T145-I147 PolarHBondContact O-N 2.85Å; T145-I148 PolarHBondContact O-N 2.9Å; T145-Y149 WeakPolarHBondContact O-CB 3.33Å; T145-Y149 VanDerWaalsContact O-CD2 3.22Å; T145-Y149 WeakPolarHBondContact O-CD2 3.1Å; T145-Y149 PolarHBondContact O-N 3.34Å
146S67.3Low63.3Low68 Ų6892 Ų9248%0.47651%0.512SS..Hα-helixtrans-66.2-36.9178.262.80000112T142 A143 L144 A150T142-S146 PolarHBondContact O-N 2.78Å; T142-S146 PolarHBondContact O-OG 3.41Å; A143-S146 WeakPolarHBondContact CA-OG 3.47Å; A143-S146 PolarHBondContact O-N 3.25Å; A143-S146 PolarHBondContact O-OG 3.34Å; L144-S146 PolarHBondContact O-N 2.86Å; S146-A150 VanDerWaalsContact O-CB 3.23Å; S146-A150 WeakPolarHBondContact O-CB 3.18Å; S146-A150 PolarHBondContact O-N 3.28Å
147I66.6Low64.5Low98 Ų9894.3 Ų94.350%0.50351%0.514SS..Hα-helixtrans-64.9-47.1173.2-68.9164.5000110A143 L144 T145 Y149 A150 S151A143-I147 WeakPolarHBondContact O-CB 3.13Å; A143-I147 WeakPolarHBondContact O-CD1 3.38Å; A143-I147 VanDerWaalsContact O-CG1 3.22Å; A143-I147 WeakPolarHBondContact O-CG1 3.14Å; A143-I147 PolarHBondContact O-N 3.44Å; L144-I147 PolarHBondContact O-N 2.83Å; T145-I147 VanDerWaalsContact C-N 3.33Å; T145-I147 PolarHBondContact O-N 2.85Å; I147-Y149 VanDerWaalsContact C-N 3.34Å; I147-Y149 PolarHBondContact O-N 2.93Å; I147-A150 PolarHBondContact O-N 2.88Å; I147-S151 WeakPolarHBondContact O-CB 3.05Å; I147-S151 PolarHBondContact O-N 2.95Å; I147-S151 PolarHBondContact O-OG 3.22Å
148I68.7Low65.4Low110 Ų11099.4 Ų99.456%0.56453%0.531SS*.Hα-helixtrans-60-44.6177.8-69.4164.7000111L144 T145 S151 Y152L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CD1 2.94Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.48Å; T145-I148 PolarHBondContact O-N 2.9Å; I148-S151 PolarHBondContact O-N 2.94Å; I148-Y152 VanDerWaalsContact O-CB 3.26Å; I148-Y152 WeakPolarHBondContact O-CB 3.49Å; I148-Y152 PolarHBondContact O-N 2.74Å
149Y67.9Low66.2Low170 Ų17093.9 Ų93.967%0.66752%0.516SS*.Hα-helixtrans-66.3-40.7177.6-88.1-70.8000112.4T145 I147 Y152 A153T145-Y149 WeakPolarHBondContact O-CB 3.33Å; T145-Y149 VanDerWaalsContact O-CD2 3.22Å; T145-Y149 WeakPolarHBondContact O-CD2 3.1Å; T145-Y149 PolarHBondContact O-N 3.34Å; I147-Y149 VanDerWaalsContact C-N 3.34Å; I147-Y149 PolarHBondContact O-N 2.93Å; Y149-Y152 PolarHBondContact O-N 3.36Å; Y149-A153 WeakPolarHBondContact O-CB 3.19Å; Y149-A153 PolarHBondContact O-N 3.37Å
150A70.6Confident67.4Low61 Ų6194.1 Ų94.150%0.50452%0.515SS..Hα-helixtrans-65.4-43.1175.400000111.8S146 I147 Y152 A153 A154S146-A150 VanDerWaalsContact O-CB 3.23Å; S146-A150 WeakPolarHBondContact O-CB 3.18Å; S146-A150 PolarHBondContact O-N 3.28Å; I147-A150 PolarHBondContact O-N 2.88Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 3.09Å; A150-A153 PolarHBondContact O-N 2.88Å; A150-A154 PolarHBondContact O-N 2.84Å
151S61.9Low67.8Low63 Ų6394.1 Ų94.144%0.44151%0.512SS..Hα-helixtrans-62.8-39.4173.9-610000111.7I147 I148 A154 L155I147-S151 WeakPolarHBondContact O-CB 3.05Å; I147-S151 PolarHBondContact O-N 2.95Å; I147-S151 PolarHBondContact O-OG 3.22Å; I148-S151 PolarHBondContact O-N 2.94Å; S151-A154 PolarHBondContact O-N 2.84Å; S151-L155 WeakPolarHBondContact O-CG 3.27Å; S151-L155 PolarHBondContact O-N 3.45Å
152Y70.3Confident68.4Low147 Ų14789.3 Ų89.358%0.57650%0.499SS*.Hα-helixtrans-65.7-42.6176.8-168.9-106.9000111.9I148 Y149 A150 A154 L155 I156I148-Y152 VanDerWaalsContact O-CB 3.26Å; I148-Y152 WeakPolarHBondContact O-CB 3.49Å; I148-Y152 PolarHBondContact O-N 2.74Å; Y149-Y152 PolarHBondContact O-N 3.36Å; A150-Y152 VanDerWaalsContact C-N 3.33Å; A150-Y152 PolarHBondContact O-N 3.09Å; Y152-A154 VanDerWaalsContact C-N 3.34Å; Y152-A154 PolarHBondContact O-N 3.39Å; Y152-L155 PolarHBondContact O-N 3.33Å; Y152-I156 HydrophobicContact CD1-CD1 3.62Å; Y152-I156 HydrophobicContact CD1-CG1 4.47Å; Y152-I156 HydrophobicContact CE1-CD1 3.4Å; Y152-I156 HydrophobicContact CE1-CG1 4.28Å; Y152-I156 HydrophobicContact CG-CD1 4.48Å; Y152-I156 WeakPolarHBondContact O-CG1 3.22Å; Y152-I156 PolarHBondContact O-N 2.96Å
153A76.9Confident69Low58 Ų5890.5 Ų90.548%0.47950%0.503SS..Hα-helixtrans-61.8-40.7173.600000112.1Y149 A150 I156 Y157Y149-A153 WeakPolarHBondContact O-CB 3.19Å; Y149-A153 PolarHBondContact O-N 3.37Å; A150-A153 PolarHBondContact O-N 2.88Å; A153-I156 PolarHBondContact O-N 3.42Å; A153-Y157 WeakPolarHBondContact O-CB 3.38Å; A153-Y157 PolarHBondContact O-N 2.92Å
154A77.6Confident69.5Low60 Ų6090.6 Ų90.650%0.49650%0.504SS..Hα-helixtrans-64.4-39.6175.300000112.5A150 S151 Y152 Y157 F158A150-A154 PolarHBondContact O-N 2.84Å; S151-A154 PolarHBondContact O-N 2.84Å; Y152-A154 VanDerWaalsContact C-N 3.34Å; Y152-A154 PolarHBondContact O-N 3.39Å; A154-Y157 PolarHBondContact O-N 3.39Å; A154-F158 WeakPolarHBondContact O-CB 3.12Å; A154-F158 PolarHBondContact O-N 2.85Å
155L66.1Low70.2Confident115 Ų11589.6 Ų89.660%0.60250%0.502SS*.Hα-helixtrans-65.9-39.6175.5-73.2171.2000112.2S151 Y152 F158 A159S151-L155 WeakPolarHBondContact O-CG 3.27Å; S151-L155 PolarHBondContact O-N 3.45Å; Y152-L155 PolarHBondContact O-N 3.33Å; L155-F158 PolarHBondContact O-N 2.99Å; L155-A159 WeakPolarHBondContact O-CB 3.34Å; L155-A159 PolarHBondContact O-N 3.26Å
156I79Confident70.6Confident85 Ų8591.1 Ų91.144%0.43651%0.507SS..Hα-helixtrans-62.8-47173.6-69.3166.7000110.1Y152 A153 F158 A159 V160Y152-I156 HydrophobicContact CD1-CD1 3.62Å; Y152-I156 HydrophobicContact CD1-CG1 4.47Å; Y152-I156 HydrophobicContact CE1-CD1 3.4Å; Y152-I156 HydrophobicContact CE1-CG1 4.28Å; Y152-I156 HydrophobicContact CG-CD1 4.48Å; Y152-I156 WeakPolarHBondContact O-CG1 3.22Å; Y152-I156 PolarHBondContact O-N 2.96Å; A153-I156 PolarHBondContact O-N 3.42Å; I156-F158 VanDerWaalsContact C-N 3.32Å; I156-F158 PolarHBondContact O-N 3.48Å; I156-A159 PolarHBondContact O-N 2.81Å; I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 2.93Å
157Y77.1Confident70.6Confident169 Ų16993.8 Ų93.866%0.66351%0.512SS*.Hα-helixtrans-60-43.9177.6-175.3-100.1000111.4A153 A154 A159 V160 C161A153-Y157 WeakPolarHBondContact O-CB 3.38Å; A153-Y157 PolarHBondContact O-N 2.92Å; A154-Y157 PolarHBondContact O-N 3.39Å; Y157-A159 VanDerWaalsContact C-N 3.35Å; Y157-A159 PolarHBondContact O-N 3.35Å; Y157-V160 PolarHBondContact O-N 2.86Å; Y157-C161 WeakPolarHBondContact CE1-SG 2.98Å; Y157-C161 PolarHBondContact O-N 3.16Å; Y157-C161 PolarHBondContact O-SG 2.89Å
158F72.5Confident70.8Confident145 Ų14595.9 Ų95.964%0.63652%0.518SS*.Hα-helixtrans-60.7-41.7175.4-173.9-97.8000112.4A154 L155 I156 C161 A162A154-F158 WeakPolarHBondContact O-CB 3.12Å; A154-F158 PolarHBondContact O-N 2.85Å; L155-F158 PolarHBondContact O-N 2.99Å; I156-F158 VanDerWaalsContact C-N 3.32Å; I156-F158 PolarHBondContact O-N 3.48Å; F158-C161 PolarHBondContact O-N 3.48Å; F158-A162 VanDerWaalsContact O-CB 3.31Å; F158-A162 WeakPolarHBondContact O-CB 3.47Å; F158-A162 PolarHBondContact O-N 2.89Å
159A68.1Low70.7Confident46 Ų4694.2 Ų94.238%0.3851%0.509SS..Hα-helixtrans-64.3-39.9176.500000112.4L155 I156 Y157 A162 N163L155-A159 WeakPolarHBondContact O-CB 3.34Å; L155-A159 PolarHBondContact O-N 3.26Å; I156-A159 PolarHBondContact O-N 2.81Å; Y157-A159 VanDerWaalsContact C-N 3.35Å; Y157-A159 PolarHBondContact O-N 3.35Å; A159-A162 PolarHBondContact O-N 3.37Å; A159-N163 WeakPolarHBondContact O-CB 3.29Å; A159-N163 VanDerWaalsContact O-CG 3.29Å; A159-N163 PolarHBondContact O-N 3.32Å; A159-N163 PolarHBondContact O-ND2 2.87Å
160V78.2Confident70.9Confident90 Ų9092.9 Ų92.955%0.54551%0.506SS..Hα-helixtrans-65.1-44.7174.7173.70000110.8I156 Y157 A162 N163 A164I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 2.93Å; Y157-V160 PolarHBondContact O-N 2.86Å; V160-A162 PolarHBondContact O-N 2.74Å; V160-N163 PolarHBondContact O-N 3.04Å; V160-A164 PolarHBondContact O-N 2.76Å
161C63.8Low70.9Confident47 Ų4793.3 Ų93.332%0.31850%0.5SS..Hα-helixtrans-61.8-43.3175.4-69.30000112Y157 F158 N163 A164 V165Y157-C161 WeakPolarHBondContact CE1-SG 2.98Å; Y157-C161 PolarHBondContact O-N 3.16Å; Y157-C161 PolarHBondContact O-SG 2.89Å; F158-C161 PolarHBondContact O-N 3.48Å; C161-N163 VanDerWaalsContact C-N 3.34Å; C161-N163 PolarHBondContact O-N 3.28Å; C161-A164 PolarHBondContact O-N 3.28Å; C161-V165 VanDerWaalsContact O-CG2 3.29Å; C161-V165 WeakPolarHBondContact O-CG2 3.34Å; C161-V165 PolarHBondContact O-N 2.96Å
162A69.4Low71.2Confident45 Ų4595.2 Ų95.237%0.37251%0.505SS..Hα-helixtrans-62.6-40.8177.200000111.7F158 A159 V160 V165 L166F158-A162 VanDerWaalsContact O-CB 3.31Å; F158-A162 WeakPolarHBondContact O-CB 3.47Å; F158-A162 PolarHBondContact O-N 2.89Å; A159-A162 PolarHBondContact O-N 3.37Å; V160-A162 PolarHBondContact O-N 2.74Å; A162-V165 PolarHBondContact O-N 3.5Å; A162-L166 VanDerWaalsContact O-CB 3.27Å; A162-L166 WeakPolarHBondContact O-CB 3.14Å; A162-L166 PolarHBondContact O-N 2.92Å
163N71.7Confident70.8Confident107 Ų10794.1 Ų94.157%0.57250%0.503SS*.Hα-helixtrans-65.8-42.8176.2-76.1-18.8000112.3A159 V160 C161 V165 L166 E167A159-N163 WeakPolarHBondContact O-CB 3.29Å; A159-N163 VanDerWaalsContact O-CG 3.29Å; A159-N163 PolarHBondContact O-N 3.32Å; A159-N163 PolarHBondContact O-ND2 2.87Å; V160-N163 PolarHBondContact O-N 3.04Å; C161-N163 VanDerWaalsContact C-N 3.34Å; C161-N163 PolarHBondContact O-N 3.28Å; N163-V165 VanDerWaalsContact C-N 3.34Å; N163-V165 PolarHBondContact O-N 3.46Å; N163-L166 PolarHBondContact O-N 2.89Å; N163-E167 WeakPolarHBondContact O-CB 2.8Å; N163-E167 PolarHBondContact O-N 3.36Å
164A71Confident70.3Confident48 Ų4898.1 Ų98.140%0.39751%0.512SS..Hα-helixtrans-62.8-41.417600000111.7V160 C161 E167 K168V160-A164 PolarHBondContact O-N 2.76Å; C161-A164 PolarHBondContact O-N 3.28Å; A164-E167 PolarHBondContact O-N 2.88Å; A164-K168 WeakPolarHBondContact O-CG 3.36Å; A164-K168 PolarHBondContact O-N 3.44Å
165V68.7Low69.5Low86 Ų86101 Ų10152%0.52152%0.515SS..Hα-helixtrans-65.1-42.7174.6171.80000110.8C161 A162 N163 E167 K168 I169C161-V165 VanDerWaalsContact O-CG2 3.29Å; C161-V165 WeakPolarHBondContact O-CG2 3.34Å; C161-V165 PolarHBondContact O-N 2.96Å; A162-V165 PolarHBondContact O-N 3.5Å; N163-V165 VanDerWaalsContact C-N 3.34Å; N163-V165 PolarHBondContact O-N 3.46Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-E167 PolarHBondContact O-N 3.32Å; V165-K168 PolarHBondContact O-N 2.74Å; V165-I169 HydrophobicContact CG1-CD1 3.73Å; V165-I169 HydrophobicContact CG1-CG1 4.37Å; V165-I169 VanDerWaalsContact O-CG1 3.24Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.72Å
166L69.7Low69.3Low95 Ų9598.7 Ų98.750%0.49750%0.501SS..Hα-helixtrans-63.5-37.6178-168.970.8000112.1A162 N163 I169 K170A162-L166 VanDerWaalsContact O-CB 3.27Å; A162-L166 WeakPolarHBondContact O-CB 3.14Å; A162-L166 PolarHBondContact O-N 2.92Å; N163-L166 PolarHBondContact O-N 2.89Å; L166-I169 PolarHBondContact O-N 3.12Å; L166-K170 WeakPolarHBondContact O-CB 3.18Å; L166-K170 PolarHBondContact O-N 3.23Å
167E67.8Low68.6Low125 Ų12599.8 Ų99.858%0.58450%0.504SS*.Hα-helixtrans-66.2-43.8174.7-170.6179.9-176.900111.3N163 A164 V165 I169 K170 N171N163-E167 WeakPolarHBondContact O-CB 2.8Å; N163-E167 PolarHBondContact O-N 3.36Å; A164-E167 PolarHBondContact O-N 2.88Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-E167 PolarHBondContact O-N 3.32Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 2.75Å; E167-K170 PolarHBondContact O-N 2.77Å; E167-N171 WeakPolarHBondContact O-CB 3.36Å; E167-N171 PolarHBondContact O-N 3.48Å; E167-N171 PolarHBondContact O-ND2 2.72Å; E167-N171 PolarHBondContact O-OD1 2.78Å
168K70.4Confident67.7Low142 Ų14294.2 Ų94.262%0.61749%0.49SS*.Hα-helixtrans-61.8-40.5173.4-67-64.4-179.9-172.10111.8A164 V165 N171 I172A164-K168 WeakPolarHBondContact O-CG 3.36Å; A164-K168 PolarHBondContact O-N 3.44Å; V165-K168 PolarHBondContact O-N 2.74Å; K168-N171 PolarHBondContact O-N 2.74Å; K168-I172 WeakPolarHBondContact O-CD1 3.17Å; K168-I172 WeakPolarHBondContact O-CG1 2.97Å; K168-I172 PolarHBondContact O-N 2.71Å
169I66.9Low67.2Low75 Ų7592 Ų9239%0.38548%0.484SS..Hα-helixtrans-64.5-45.9175.4-68.7166.9000110.4V165 L166 E167 N171 I172 F173V165-I169 HydrophobicContact CG1-CD1 3.73Å; V165-I169 HydrophobicContact CG1-CG1 4.37Å; V165-I169 VanDerWaalsContact O-CG1 3.24Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.72Å; L166-I169 PolarHBondContact O-N 3.12Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 2.75Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.14Å; I169-I172 PolarHBondContact O-N 2.75Å; I169-F173 HydrophobicContact CG2-CD2 3.67Å; I169-F173 HydrophobicContact CG2-CE2 3.8Å; I169-F173 WeakPolarHBondContact O-CD2 3.24Å; I169-F173 PolarHBondContact O-N 2.84Å
170K72.1Confident66.8Low141 Ų14194.4 Ų94.461%0.61348%0.483SS*.Hα-helixtrans-57.9-43.6175.1-88.8-174.7173.2-177.10112.1L166 E167 I172 F173 Q174L166-K170 WeakPolarHBondContact O-CB 3.18Å; L166-K170 PolarHBondContact O-N 3.23Å; E167-K170 PolarHBondContact O-N 2.77Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-F173 PolarHBondContact O-N 2.89Å; K170-Q174 WeakPolarHBondContact O-CB 3.35Å; K170-Q174 PolarHBondContact O-N 3.29Å
171N70.4Confident66Low70 Ų7095.9 Ų95.937%0.37448%0.484SS..Hα-helixtrans-65.1-39.5177.9-66.6-15.4000111.2E167 K168 I169 Q174 E175E167-N171 WeakPolarHBondContact O-CB 3.36Å; E167-N171 PolarHBondContact O-N 3.48Å; E167-N171 PolarHBondContact O-ND2 2.72Å; E167-N171 PolarHBondContact O-OD1 2.78Å; K168-N171 PolarHBondContact O-N 2.74Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.14Å; N171-Q174 PolarHBondContact O-N 3.29Å; N171-E175 WeakPolarHBondContact O-CB 3.4Å; N171-E175 PolarHBondContact O-N 3.46Å
172I67.8Low65.8Low104 Ų10498.5 Ų98.553%0.53350%0.495SS..Hα-helixtrans-64.9-39.4174.1-68.9162.6000111.1K168 I169 K170 E176K168-I172 WeakPolarHBondContact O-CD1 3.17Å; K168-I172 WeakPolarHBondContact O-CG1 2.97Å; K168-I172 PolarHBondContact O-N 2.71Å; I169-I172 PolarHBondContact O-N 2.75Å; K170-I172 VanDerWaalsContact C-N 3.34Å; I172-E176 WeakPolarHBondContact O-CB 3.41Å; I172-E176 PolarHBondContact O-N 3.29Å
173F62.3Low65.4Low124 Ų124104.2 Ų104.254%0.54451%0.507SS..Hα-helixtrans-69.6-39.7176-93.2-83.4000112.5I169 K170 E176 E177I169-F173 HydrophobicContact CG2-CD2 3.67Å; I169-F173 HydrophobicContact CG2-CE2 3.8Å; I169-F173 WeakPolarHBondContact O-CD2 3.24Å; I169-F173 PolarHBondContact O-N 2.84Å; K170-F173 PolarHBondContact O-N 2.89Å; F173-E176 PolarHBondContact O-N 3.24Å; F173-E177 WeakPolarHBondContact O-CB 3.48Å; F173-E177 PolarHBondContact O-N 2.75Å
174Q66.2Low64.9Low141 Ų141104.9 Ų104.966%0.65951%0.507SS*.Hα-helixtrans-66.5-41.1173.6-104-175.7-17.200112K170 N171 E177 S178K170-Q174 WeakPolarHBondContact O-CB 3.35Å; K170-Q174 PolarHBondContact O-N 3.29Å; N171-Q174 PolarHBondContact O-N 3.29Å; Q174-E177 PolarHBondContact O-N 3.48Å; Q174-S178 WeakPolarHBondContact O-CB 3.27Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 3.45Å; Q174-S178 VanDerWaalsContact O-OG 3.1Å
175E61.2Low64.2Low122 Ų122108 Ų10857%0.5751%0.513SS*.Hα-helixtrans-63.7-43173.6-169176.3176.700110.4N171 E177 S178 I179N171-E175 WeakPolarHBondContact O-CB 3.4Å; N171-E175 PolarHBondContact O-N 3.46Å; E175-E177 PolarHBondContact O-N 2.87Å; E175-S178 WeakPolarHBondContact CA-OG 3.44Å; E175-S178 PolarHBondContact O-N 3.29Å; E175-S178 PolarHBondContact O-OG 2.88Å; E175-I179 HydrophobicContact CG-CD1 3.99Å; E175-I179 WeakPolarHBondContact O-CB 3.41Å; E175-I179 WeakPolarHBondContact O-CD1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.36Å; E175-I179 PolarHBondContact O-N 2.81Å
176E61.7Low63.7Low66 Ų66106.5 Ų106.531%0.30851%0.506SS..Hα-helixtrans-60.7-45.7173.2-166.8-163159.700111.4R72 I172 F173 I179 R180R72-E176 IonicContact CZ-OE1 3.71Å; R72-E176 IonicContact NH1-OE1 3.96Å; R72-E176 IonicContact NH2-OE1 2.74Å; R72-E176 PolarHBondContact NH2-OE1 2.61Å; I172-E176 WeakPolarHBondContact O-CB 3.41Å; I172-E176 PolarHBondContact O-N 3.29Å; F173-E176 PolarHBondContact O-N 3.24Å; E176-I179 PolarHBondContact O-N 2.68Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.22Å; E176-R180 PolarHBondContact O-N 2.79Å; E176-R180 IonicContact OE1-NE 2.94Å
177E63.3Low63.2Low108 Ų108106.2 Ų106.251%0.50550%0.502SS..Hα-helixtrans-68.1-39.9-177.5-157.267.7-172.700111.5F173 Q174 E175 I179 R180 Q181F173-E177 WeakPolarHBondContact O-CB 3.48Å; F173-E177 PolarHBondContact O-N 2.75Å; Q174-E177 PolarHBondContact O-N 3.48Å; E175-E177 PolarHBondContact O-N 2.87Å; E177-I179 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.27Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 IonicContact OE2-NH1 3.78Å; E177-Q181 WeakPolarHBondContact O-CB 3.13Å; E177-Q181 PolarHBondContact O-N 3.43Å
178S57.8Low62.6Low51 Ų51105.2 Ų105.236%0.35750%0.501SS..Hα-helixtrans-65.9-33.3172.865.10000113.3Q174 E175 N182Q174-S178 WeakPolarHBondContact O-CB 3.27Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 3.45Å; Q174-S178 VanDerWaalsContact O-OG 3.1Å; E175-S178 WeakPolarHBondContact CA-OG 3.44Å; E175-S178 PolarHBondContact O-N 3.29Å; E175-S178 PolarHBondContact O-OG 2.88Å; S178-N182 WeakPolarHBondContact O-CB 3.32Å; S178-N182 PolarHBondContact O-N 3.47Å; S178-N182 PolarHBondContact O-ND2 2.83Å; S178-N182 VanDerWaalsContact O-ND2 3.14Å
179I62.3Low61.9Low100 Ų100101.6 Ų101.651%0.51349%0.493SS..Hα-helixtrans-70.6-38.7173.5-70164.8000110.6E175 E176 E177 R183E175-I179 HydrophobicContact CG-CD1 3.99Å; E175-I179 WeakPolarHBondContact O-CB 3.41Å; E175-I179 WeakPolarHBondContact O-CD1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.36Å; E175-I179 PolarHBondContact O-N 2.81Å; E176-I179 PolarHBondContact O-N 2.68Å; E177-I179 VanDerWaalsContact C-N 3.34Å; E177-I179 PolarHBondContact O-N 3.27Å; I179-R183 VanDerWaalsContact O-CB 3.29Å; I179-R183 WeakPolarHBondContact O-CB 3.4Å; I179-R183 PolarHBondContact O-N 2.66Å
180R61.2Low61.3Low96 Ų96107.1 Ų107.136%0.36251%0.509SS..Hα-helixtrans-66.5-43.1175.1-72.2175.1109-165.1-1.8111.3R72 E176 E177 R183 E184R72-R180 VanDerWaalsContact CZ-CZ 3.48Å; R72-R180 VanDerWaalsContact NH1-NH2 3.18Å; R72-R180 VanDerWaalsContact NH2-NH2 3.17Å; E176-R180 VanDerWaalsContact O-CG 3.28Å; E176-R180 WeakPolarHBondContact O-CG 3.22Å; E176-R180 PolarHBondContact O-N 2.79Å; E176-R180 IonicContact OE1-NE 2.94Å; E177-R180 PolarHBondContact O-N 2.88Å; E177-R180 IonicContact OE2-NH1 3.78Å; R180-R183 WeakPolarHBondContact O-CB 2.97Å; R180-R183 PolarHBondContact O-N 3.49Å; R180-E184 WeakPolarHBondContact O-CG 3.45Å; R180-E184 PolarHBondContact O-N 3.02Å
181Q59.9Low60.3Low121 Ų121107.9 Ų107.957%0.56551%0.512SS*.Hα-helixtrans-63.8-46.7175.7-170.8176.4-6.300111.7E177 R183 E184 E185E177-Q181 WeakPolarHBondContact O-CB 3.13Å; E177-Q181 PolarHBondContact O-N 3.43Å; Q181-R183 VanDerWaalsContact C-N 3.25Å; Q181-R183 PolarHBondContact O-N 2.79Å; Q181-E184 PolarHBondContact O-N 3.14Å; Q181-E185 VanDerWaalsContact O-CB 3.25Å; Q181-E185 WeakPolarHBondContact O-CB 3.25Å; Q181-E185 PolarHBondContact O-N 3.42Å
182N59.6Low59.4Low102 Ų102108.4 Ų108.455%0.54553%0.526SS..Hα-helixtrans-60.5-35.6173.9-95.1-67.7000112.5S178 S186S178-N182 WeakPolarHBondContact O-CB 3.32Å; S178-N182 PolarHBondContact O-N 3.47Å; S178-N182 PolarHBondContact O-ND2 2.83Å; S178-N182 VanDerWaalsContact O-ND2 3.14Å; N182-S186 WeakPolarHBondContact O-CB 3.29Å; N182-S186 PolarHBondContact O-N 3.22Å; N182-S186 PolarHBondContact O-OG 2.92Å
183R61.8Low58.7Low164 Ų164111.9 Ų111.962%0.61954%0.538SS*.Hα-helixtrans-68.3-45.9176.3-177.1175.1175.9165.40.9111.3I179 R180 Q181 E185 S186 E187I179-R183 VanDerWaalsContact O-CB 3.29Å; I179-R183 WeakPolarHBondContact O-CB 3.4Å; I179-R183 PolarHBondContact O-N 2.66Å; R180-R183 WeakPolarHBondContact O-CB 2.97Å; R180-R183 PolarHBondContact O-N 3.49Å; Q181-R183 VanDerWaalsContact C-N 3.25Å; Q181-R183 PolarHBondContact O-N 2.79Å; R183-E185 VanDerWaalsContact C-N 3.34Å; R183-S186 PolarHBondContact O-N 3.46Å; R183-S186 PolarHBondContact O-OG 3.44Å; R183-E187 HydrophobicContact CG-CG 4.44Å; R183-E187 WeakPolarHBondContact CG-OE1 3.49Å; R183-E187 IonicContact CZ-OE1 3.7Å; R183-E187 IonicContact NE-OE1 3.94Å; R183-E187 PolarHBondContact NE-OE1 3.39Å; R183-E187 IonicContact NH2-OE1 3.99Å; R183-E187 WeakPolarHBondContact O-CB 3.31Å; R183-E187 VanDerWaalsContact O-CG 3.27Å; R183-E187 WeakPolarHBondContact O-CG 3.24Å; R183-E187 PolarHBondContact O-N 3.23Å
184E60.1Low58.3Low122 Ų122110.2 Ų110.257%0.5754%0.542SS*.Hα-helixtrans-63.7-38.8175.8-74.9174.4-175.900111.9R180 Q181 E187 N188R180-E184 WeakPolarHBondContact O-CG 3.45Å; R180-E184 PolarHBondContact O-N 3.02Å; Q181-E184 PolarHBondContact O-N 3.14Å; E184-E187 PolarHBondContact O-N 2.73Å; E184-N188 VanDerWaalsContact O-CB 3.3Å; E184-N188 WeakPolarHBondContact O-CB 3.09Å; E184-N188 VanDerWaalsContact O-CG 3.32Å; E184-N188 PolarHBondContact O-N 3.25Å; E184-N188 PolarHBondContact O-ND2 3.45Å
185E57Low57.3Low112 Ų112110.7 Ų110.752%0.52354%0.544SS..Hα-helixtrans-68.5-38.4175.2-157.1166.8-149.200111.5Q181 R183 N188 C189Q181-E185 VanDerWaalsContact O-CB 3.25Å; Q181-E185 WeakPolarHBondContact O-CB 3.25Å; Q181-E185 PolarHBondContact O-N 3.42Å; R183-E185 VanDerWaalsContact C-N 3.34Å; E185-N188 PolarHBondContact O-N 2.84Å; E185-C189 WeakPolarHBondContact O-CB 3.07Å; E185-C189 PolarHBondContact O-N 2.8Å; E185-C189 PolarHBondContact O-SG 2.94Å; E185-C189 VanDerWaalsContact O-SG 3.38Å
186S57.3Low56.5Low55 Ų55110.3 Ų110.339%0.38555%0.552SS.*Hα-helixtrans-68.9-34.8172.681.10000113.3N182 R183 R190N182-S186 WeakPolarHBondContact O-CB 3.29Å; N182-S186 PolarHBondContact O-N 3.22Å; N182-S186 PolarHBondContact O-OG 2.92Å; R183-S186 PolarHBondContact O-N 3.46Å; R183-S186 PolarHBondContact O-OG 3.44Å; S186-R190 WeakPolarHBondContact O-CB 3.4Å; S186-R190 WeakPolarHBondContact O-CG 3.4Å; S186-R190 PolarHBondContact O-N 2.89Å
187E59.5Low55.8Low89 Ų89113 Ų11342%0.41657%0.573SS.*Hα-helixtrans-74-35.1176.2-75.2176.5-170.400110.3R183 E184 R190 K191R183-E187 HydrophobicContact CG-CG 4.44Å; R183-E187 WeakPolarHBondContact CG-OE1 3.49Å; R183-E187 IonicContact CZ-OE1 3.7Å; R183-E187 IonicContact NE-OE1 3.94Å; R183-E187 PolarHBondContact NE-OE1 3.39Å; R183-E187 IonicContact NH2-OE1 3.99Å; R183-E187 WeakPolarHBondContact O-CB 3.31Å; R183-E187 VanDerWaalsContact O-CG 3.27Å; R183-E187 WeakPolarHBondContact O-CG 3.24Å; R183-E187 PolarHBondContact O-N 3.23Å; E184-E187 PolarHBondContact O-N 2.73Å; E187-R190 PolarHBondContact O-N 2.72Å; E187-K191 WeakPolarHBondContact O-CB 3.38Å; E187-K191 PolarHBondContact O-N 2.83Å
188N57Low54.9Low105 Ų105114.7 Ų114.756%0.56158%0.584SS**Hα-helixtrans-67.9-41.1170.9-81.1-22.5000112.2E184 E185 K191 A192E184-N188 VanDerWaalsContact O-CB 3.3Å; E184-N188 WeakPolarHBondContact O-CB 3.09Å; E184-N188 VanDerWaalsContact O-CG 3.32Å; E184-N188 PolarHBondContact O-N 3.25Å; E184-N188 PolarHBondContact O-ND2 3.45Å; E185-N188 PolarHBondContact O-N 2.84Å; N188-K191 PolarHBondContact O-N 2.71Å; N188-A192 WeakPolarHBondContact O-CB 3.21Å; N188-A192 PolarHBondContact O-N 3.45Å
189C53.7Low54.5Low66 Ų66116.7 Ų116.745%0.44660%0.599SS.*Hα-helixtrans-60.8-46.7170.2-76.30000110.6E185 K191 A192 F193E185-C189 WeakPolarHBondContact O-CB 3.07Å; E185-C189 PolarHBondContact O-N 2.8Å; E185-C189 PolarHBondContact O-SG 2.94Å; E185-C189 VanDerWaalsContact O-SG 3.38Å; C189-K191 VanDerWaalsContact C-N 3.34Å; C189-K191 PolarHBondContact O-N 3.33Å; C189-A192 PolarHBondContact O-N 3.27Å; C189-F193 WeakPolarHBondContact O-CD2 3.19Å; C189-F193 PolarHBondContact O-N 3.26Å
190R55Low53.6Low190 Ų190120.6 Ų120.672%0.71761%0.614SS**Hα-helixtrans-63.8-35176.2-79.2-178.3177.1179.40.2113.2S186 E187 F193 S194S186-R190 WeakPolarHBondContact O-CB 3.4Å; S186-R190 WeakPolarHBondContact O-CG 3.4Å; S186-R190 PolarHBondContact O-N 2.89Å; E187-R190 PolarHBondContact O-N 2.72Å; R190-F193 PolarHBondContact O-N 3.02Å; R190-S194 WeakPolarHBondContact O-CB 3.2Å; R190-S194 PolarHBondContact O-N 2.88Å; R190-S194 PolarHBondContact O-OG 3.1Å
191K51.6Low52.7Low158 Ų158119.3 Ų119.369%0.68762%0.619SS**Hα-helixtrans-69.4-39.7172.7-88.4-175.5173-178.10112.5E187 N188 C189 F193 S194E187-K191 WeakPolarHBondContact O-CB 3.38Å; E187-K191 PolarHBondContact O-N 2.83Å; N188-K191 PolarHBondContact O-N 2.71Å; C189-K191 VanDerWaalsContact C-N 3.34Å; C189-K191 PolarHBondContact O-N 3.33Å; K191-F193 PolarHBondContact O-N 3.45Å; K191-S194 PolarHBondContact O-N 3.34Å; K191-S194 VanDerWaalsContact O-N 3.13Å
192A52.2Low52Low80 Ų80122.8 Ų122.866%0.66164%0.637SS**Hα-helixtrans-65.4-22174.700000112.9N188 C189N188-A192 WeakPolarHBondContact O-CB 3.21Å; N188-A192 PolarHBondContact O-N 3.45Å; C189-A192 PolarHBondContact O-N 3.27Å
193F52.1Low51.4Low177 Ų177126.5 Ų126.578%0.77665%0.649SS**THydrogen-bonded Turntrans-100.3-1.4173.8-69.2-64.8000114.3C189 R190 K191C189-F193 WeakPolarHBondContact O-CD2 3.19Å; C189-F193 PolarHBondContact O-N 3.26Å; R190-F193 PolarHBondContact O-N 3.02Å; K191-F193 PolarHBondContact O-N 3.45Å
194S53.8Low51Low90 Ų90123.2 Ų123.263%0.62966%0.657SS**SBendtrans-122.648.6-176.8-52.60000111.7R190 K191R190-S194 WeakPolarHBondContact O-CB 3.2Å; R190-S194 PolarHBondContact O-N 2.88Å; R190-S194 PolarHBondContact O-OG 3.1Å; K191-S194 PolarHBondContact O-N 3.34Å; K191-S194 VanDerWaalsContact O-N 3.13Å
195E44.9Very low50.4Low150 Ų150127.5 Ų127.570%0.70168%0.677SS**  trans-157.999.8155.8-152.5162.4-152.800107.9V197E195-V197 VanDerWaalsContact C-N 3.29Å; E195-V197 PolarHBondContact O-N 3.31Å
196P45.8Very low50.1Low115 Ų115124.8 Ų124.875%0.74768%0.679SS**  trans-64.8107.215227-24.8000104.4L198P196-L198 PolarHBondContact O-N 3.33Å
197V46.3Very low49.7Very low122 Ų122131.6 Ų131.674%0.73971%0.705SS**  trans-58.192.4161.4175.40000104.9E195 S199E195-V197 VanDerWaalsContact C-N 3.29Å; E195-V197 PolarHBondContact O-N 3.31Å; V197-S199 PolarHBondContact O-N 2.92Å
198L44.4Very low49.3Very low143 Ų143135.3 Ų135.375%0.74973%0.726SS**  trans-7283.9171.7-140.9169.7000103.7P196 E200P196-L198 PolarHBondContact O-N 3.33Å; L198-E200 PolarHBondContact O-N 2.82Å
199S49.2Very low49.1Very low94 Ų94140 Ų14066%0.65774%0.741SS**  trans-51111.8163.446.70000105.9V197 P201V197-S199 PolarHBondContact O-N 2.92Å; S199-P201 VanDerWaalsContact O-N 3.07Å
200E43.9Very low49.2Very low181 Ų181141.3 Ų141.385%0.84676%0.756SS**  trans-41.5115.5176.1-156.9168.2-150.300107.8L198 M202L198-E200 PolarHBondContact O-N 2.82Å; E200-M202 PolarHBondContact O-N 3.43Å
201P42.3Very low48.9Very low70 Ų70141.2 Ų141.246%0.45576%0.761SS.*  trans-68.7113.4179.6-3.417.4000105.7S199 F203S199-P201 VanDerWaalsContact O-N 3.07Å; P201-F203 HydrophobicContact CB-CD2 3.87Å; P201-F203 HydrophobicContact CB-CE2 3.47Å; P201-F203 VanDerWaalsContact CB-CE2 3.47Å; P201-F203 HydrophobicContact CB-CZ 3.86Å; P201-F203 HydrophobicContact CG-CD2 4.35Å; P201-F203 HydrophobicContact CG-CE2 3.68Å; P201-F203 HydrophobicContact CG-CZ 4.24Å; P201-F203 WeakPolarHBondContact O-CD2 3.29Å; P201-F203 PolarHBondContact O-N 2.98Å
202M45.2Very low48.5Very low193 Ų193139.6 Ų139.695%0.95177%0.767SS**  trans-6780.9173-163.2175.1-177.800107.5E200 A204E200-M202 PolarHBondContact O-N 3.43Å; M202-A204 PolarHBondContact O-N 3.26Å
203F47.2Very low48Very low180 Ų180147 Ų14779%0.78978%0.78SS**  trans-73.5119.4171.7-71.8-71.7000107.7P201 E205P201-F203 HydrophobicContact CB-CD2 3.87Å; P201-F203 HydrophobicContact CB-CE2 3.47Å; P201-F203 VanDerWaalsContact CB-CE2 3.47Å; P201-F203 HydrophobicContact CB-CZ 3.86Å; P201-F203 HydrophobicContact CG-CD2 4.35Å; P201-F203 HydrophobicContact CG-CE2 3.68Å; P201-F203 HydrophobicContact CG-CZ 4.24Å; P201-F203 WeakPolarHBondContact O-CD2 3.29Å; P201-F203 PolarHBondContact O-N 2.98Å; F203-E205 PolarHBondContact O-N 3.12Å
204A53.3Low47.5Very low95 Ų95150.2 Ų150.279%0.78579%0.786SS**  trans-59.1135.417200000109.6M202 G206M202-A204 PolarHBondContact O-N 3.26Å; A204-G206 VanDerWaalsContact C-N 3.27Å; A204-G206 PolarHBondContact O-N 3.01Å
205E46.6Very low47.2Very low212 Ų212151.3 Ų151.399%0.99179%0.794SS**  trans-56.383.3176.7-135.1116.2-162.600110.9F203F203-E205 PolarHBondContact O-N 3.12Å
206G50.4Low47.7Very low55 Ų55152.1 Ų152.157%0.56780%0.803SS**  trans-128.5105.1176.900000109.1A204 I208A204-G206 VanDerWaalsContact C-N 3.27Å; A204-G206 PolarHBondContact O-N 3.01Å; G206-I208 PolarHBondContact O-N 3.29Å
207E48.4Very low47.6Very low199 Ų199152.7 Ų152.793%0.9381%0.806SS**  trans-31.3102.6174.7-101.1-178151.200113.8K209E207-K209 PolarHBondContact O-N 3.36Å
208I51.3Low47Very low166 Ų166154.7 Ų154.785%0.85181%0.807SS**  trans-83.196.2170.3-56.9179.1000108G206 A210G206-I208 PolarHBondContact O-N 3.29Å; I208-A210 PolarHBondContact O-N 3.16Å
209K52.8Low46.9Very low204 Ų204155.6 Ų155.689%0.88781%0.805SS**  trans-78.1101.1174.9-152.4179-170174.90110.1E207E207-K209 PolarHBondContact O-N 3.36Å
210A56Low46.8Very low93 Ų93157 Ų15777%0.76981%0.812SS**PPolyproline II helixtrans-70.1128.4175.500000111.2I208I208-A210 PolarHBondContact O-N 3.16Å
211K48.4Very low46.5Very low188 Ų188154.7 Ų154.782%0.81781%0.805SS**PPolyproline II helixtrans-85.5140.9169.8-73.3-173.5178.2179.60110.1
212P43.3Very low46.1Very low125 Ų125159.2 Ų159.281%0.81282%0.824SS**PPolyproline II helixtrans-72.2138.3176.9-6.522.7000110.6
213Y42.6Very low45.9Very low236 Ų236154 Ų15493%0.92581%0.807SS**PPolyproline II helixtrans-66.7132.7173.4-89.9-95000111
214R41.8Very low45.4Very low243 Ų243152.5 Ų152.592%0.91781%0.807SS**PPolyproline II helixtrans-84.2123178.9-165.7-178.5-162.7-179.24.3109.5
215S48Very low44.6Very low113 Ų113158.9 Ų158.979%0.7981%0.812SS**PPolyproline II helixtrans-69.8138172.2-2.20000111.2
216L54.2Low44.2Very low168 Ų168154.8 Ų154.888%0.8880%0.804SS**PPolyproline II helixtrans-63.5145.4172.1-91.6147.5000111.1
217P44.4Very low43.6Very low126 Ų126161.3 Ų161.382%0.81882%0.817SS**PPolyproline II helixtrans-79.3151.2-174.832.4-31.6000112.8
218E34.2Very low42.9Very low165 Ų165158.8 Ų158.877%0.77181%0.809SS**PPolyproline II helixtrans-92.6125-175.2-177.6167.4-170.100112.1
219K42.3Very low42Very low162 Ų162159.1 Ų159.170%0.70481%0.812SS**  trans67.8157.7148.4-81.6179.5-176.2171.90120.1
220P46.6Very low41.4Very low124 Ų124152.9 Ų152.981%0.80580%0.799SS**  cis-144173.14438.7-15.9000120.1
221D37.3Very low40.3Very low131 Ų131155.5 Ų155.570%0.70180%0.799SS**  trans-53.7150.1173-67.2-54.2000114.4
222I33.2Very low40Very low165 Ų165154.7 Ų154.785%0.84680%0.796SS**  176.8148.5122.3-82.8151.4000110
223S42.7Very low40.2Very low85 Ų85157.2 Ų157.259%0.59480%0.797SS**  trans-51.7153-17658.30000117.6
224D35.1Very low40.2Very low147 Ų147150.6 Ų150.679%0.78679%0.785SS**  168.6121.9112.1-83.2-16.2000110.5
225Y37.1Very low40.4Very low229 Ų229145.9 Ų145.990%0.89878%0.778SS**  trans-74.9149.3163.9-89.9-87.3000109.8
226P39.3Very low40.2Very low126 Ų126149 Ų14982%0.81878%0.777SS**  -135.8168.4114.820.50.1000114.8
227K36Very low40.4Very low192 Ų192147.9 Ų147.984%0.83577%0.771SS**  trans-76.6154-158.9-76.4165.3169169.90117
228L33.9Very low40.8Very low146 Ų146150 Ų15076%0.76477%0.77SS**  trans59.9117.3141.7-97.3144.8000120.9A230L228-A230 HydrophobicContact CD2-CB 4.43Å
229L32.8Very low41.9Very low173 Ų173146.9 Ų146.991%0.90676%0.762SS**  -148.4113.4125.1-129.2151000110.3
230A39.7Very low42.5Very low74 Ų74147.3 Ų147.361%0.61277%0.771SS**  trans-79.3118.8171.500000109.1L228L228-A230 HydrophobicContact CD2-CB 4.43Å
231N34Very low42.7Very low147 Ų147149.2 Ų149.279%0.78677%0.769SS**  trans-172.9146.2139-133.5-34.9000113.3
232K42.7Very low43.5Very low172 Ų172147.5 Ų147.575%0.74877%0.767SS**  trans77.377.7164.8-60.9-175179.4-178.70117.7S234K232-S234 PolarHBondContact O-N 3.4Å
233Q45.8Very low44.7Very low177 Ų177145.9 Ų145.983%0.82777%0.765SS**  trans-52.1102.4142.8-173.1176.18.600109.3
234S43.9Very low44.9Very low98 Ų98150.5 Ų150.569%0.68577%0.774SS**  trans-122.9100.8165.759.20000108K232 K236K232-S234 PolarHBondContact O-N 3.4Å; S234-K236 VanDerWaalsContact C-N 3.32Å; S234-K236 PolarHBondContact O-N 3.02Å
235N44.7Very low45.6Very low143 Ų143151.5 Ų151.577%0.76578%0.779SS**  trans-72.187.2175.7-66.5-24.6000108.4
236K45.2Very low46.1Very low178 Ų178149.6 Ų149.677%0.77478%0.779SS**  trans-101.290.6171.9-159.5173.6-174.2-179.90108.5S234 Q238S234-K236 VanDerWaalsContact C-N 3.32Å; S234-K236 PolarHBondContact O-N 3.02Å; K236-Q238 PolarHBondContact O-N 2.98Å
237I57.4Low46.4Very low145 Ų145148 Ų14874%0.74477%0.77SS**  trans-67110.3167.1-59.4172.9000106.2V239I237-V239 HydrophobicContact CG2-CG2 3.87Å; I237-V239 PolarHBondContact O-N 3.29Å
238Q54.4Low46.8Very low172 Ų172144 Ų14480%0.80477%0.773SS**  trans-79.196.6168.2-75.2179.5-1.500107.6K236 L240K236-Q238 PolarHBondContact O-N 2.98Å; Q238-L240 PolarHBondContact O-N 3.31Å
239V55.3Low47.6Very low99 Ų99145.1 Ų145.160%0.678%0.775SS**  trans-75.4112.5169.7-179.40000107.1I237 H241I237-V239 HydrophobicContact CG2-CG2 3.87Å; I237-V239 PolarHBondContact O-N 3.29Å; V239-H241 PolarHBondContact O-N 3.14Å; V239-H241 VanDerWaalsContact O-N 3.17Å
240L54.8Low48Very low170 Ų170144.3 Ų144.389%0.8977%0.768SS**  trans-66.7108.1168.2-77.4160.3000107.7Q238 S242Q238-L240 PolarHBondContact O-N 3.31Å; L240-S242 PolarHBondContact O-N 3.02Å
241H51.6Low48.2Very low165 Ų165148.6 Ų148.676%0.76478%0.781SS**  trans-69.4121.3169.2-74.6-85.9000108.8V239 V243V239-H241 PolarHBondContact O-N 3.14Å; V239-H241 VanDerWaalsContact O-N 3.17Å; H241-V243 PolarHBondContact O-N 3.49Å
242S55.2Low48.8Very low94 Ų94149.6 Ų149.666%0.65778%0.781SS**  trans-63.1127173.6-175.30000109.8L240 F244L240-S242 PolarHBondContact O-N 3.02Å; S242-F244 PolarHBondContact O-N 3.01Å
243V56.7Low48.5Very low132 Ų132150.5 Ų150.580%0.879%0.788SS**SBendtrans-81.649.2-176.3-175.50000110.9H241H241-V243 PolarHBondContact O-N 3.49Å
244F48.8Very low48.1Very low181 Ų181153.9 Ų153.979%0.79481%0.809SS**  trans-135.727.4-179.5-74.4-71.7000114.4S242 Q246S242-F244 PolarHBondContact O-N 3.01Å; F244-Q246 PolarHBondContact O-N 3.15Å
245D48.7Very low48.3Very low168 Ų168156.7 Ų156.790%0.89882%0.815SS**  trans-92.683.7161.2-73.1-25.6000108.7
246Q46.9Very low48.5Very low189 Ų189157.4 Ų157.488%0.88382%0.817SS**  trans-85.6115.7170-15316816.200108.4F244 A248F244-Q246 PolarHBondContact O-N 3.15Å; Q246-A248 PolarHBondContact O-N 3.22Å
247S47Very low48.7Very low92 Ų92156.2 Ų156.264%0.64382%0.82SS**  trans-51.6117.6176.348.40000112.9E249S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.28Å
248A43.1Very low48.2Very low108 Ų108156.9 Ų156.989%0.89382%0.824SS**  trans-80.883.8160.300000108.5Q246Q246-A248 PolarHBondContact O-N 3.22Å
249E50.5Low47.8Very low171 Ų171155.9 Ų155.980%0.79983%0.826SS**  trans-73.3123.1168-90.4177.4161.300110.2S247S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.28Å
250M42.9Very low47.3Very low155 Ų155159.7 Ų159.776%0.76484%0.841SS**  trans-62.6124.8171.2177.3-179.416500110.5
251N43.5Very low46.8Very low164 Ų164159 Ų15988%0.87784%0.837SS**  trans-127.890.2161.4-85.1-29.9000108.4
252E45.2Very low46.4Very low168 Ų168158.5 Ų158.579%0.78584%0.843SS**  trans-102.6109.7158-74.1-172.7169.100107.9
253Q37.8Very low45.7Very low192 Ų192163.9 Ų163.990%0.89786%0.858SS**  trans-161.498.6159.6-117.8176.922.300109.5
254I37.3Very low44.7Very low247 Ų247166.8 Ų166.8100%1.26786%0.864SS**  trans-143.50134.8-58.6-172.4000106.8

Retrieved 254 of 254 residues in 1224 ms (Link to these results)