A0A2K5NZ26_CERAT Loading...

2P domain potassium channel Talk-1

AlphaFold DB , UniProt , Accession A0A2K5NZ26, Species CERAT (Cercocebus atys, Sooty mangabey), Gene KCNK16, Length 309 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low50.4Low242 Ų242131.2 Ų131.2100%1.19279%0.793SS**  0103.80-72-177.4156.600109.3
2P48.7Very low52.4Low122 Ų122124.8 Ų124.879%0.79277%0.774SS**  trans-110.9103.1171.432.9-17.7000109.8
3N47Very low54.3Low172 Ų172131 Ų13192%0.9277%0.774SS**  trans-148.244.1175.8-107.7-1.6000112.3
4A52.8Low56.8Low104 Ų104126.9 Ų126.986%0.8675%0.75SS**SBendtrans-137.918179.600000115
5G49.6Very low59Low61 Ų61125.6 Ų125.663%0.62974%0.738SS**SBendtrans-108.9-23.9-176.900000116.4
6L48.3Very low61.1Low164 Ų164121.9 Ų121.986%0.85972%0.718SS**SBendtrans-86.8-25.3-170.2-106.278.9000114.7
7C49.2Very low62.9Low121 Ų121121.9 Ų121.982%0.81871%0.714SS**Hα-helixtrans-79.6-24.1-173.5-114.30000114.3
8S54.8Low64.6Low101 Ų101120.6 Ų120.671%0.70670%0.703SS**Hα-helixtrans-80.2-28.1-173.1-174.40000114.2
9C52.3Low66.2Low106 Ų106119.7 Ų119.772%0.71669%0.694SS**Hα-helixtrans-87.1-29.8-177.7-94.60000113.5
10W54.8Low67.7Low207 Ų207118.8 Ų118.878%0.78469%0.691SS**Hα-helixtrans-74.6-45.7177.3-118.651.6000111.4G12 V14W10-G12 PolarHBondContact O-N 3.43Å; W10-V14 VanDerWaalsContact O-CB 3.25Å; W10-V14 WeakPolarHBondContact O-CB 3.37Å; W10-V14 WeakPolarHBondContact O-CG2 3.44Å; W10-V14 PolarHBondContact O-N 3.19Å
11G56.8Low69Low43 Ų43119.9 Ų119.944%0.44368%0.684SS.*Hα-helixtrans-64.5-36.2-178.800000114.3R13 L15G11-R13 PolarHBondContact O-N 3.41Å; G11-L15 VanDerWaalsContact O-CB 3.31Å; G11-L15 WeakPolarHBondContact O-CB 3.31Å; G11-L15 PolarHBondContact O-N 3.43Å
12G73.9Confident71.7Confident55 Ų55111.4 Ų111.457%0.56765%0.646SS**Hα-helixtrans-70.8-27.2-173.300000115.7W10 P16W10-G12 PolarHBondContact O-N 3.43Å; G12-P16 WeakPolarHBondContact O-CD 3.47Å
13R77.6Confident74Confident205 Ų205109.3 Ų109.377%0.77463%0.633SS**Hα-helixtrans-109.3-27.9-179.9-67.7-174.9-177.4-179.61.6113.9G11 P16 L17G11-R13 PolarHBondContact O-N 3.41Å; R13-P16 WeakPolarHBondContact O-CD 3.25Å; R13-P16 WeakPolarHBondContact O-CG 3.15Å; R13-L17 WeakPolarHBondContact O-CD1 3.45Å; R13-L17 WeakPolarHBondContact O-CG 3.39Å
14V89.2Confident76.4Confident73 Ų73109.1 Ų109.144%0.44262%0.621SS.*Hα-helixtrans-74.9-39.3-179.9176.70000111.3W10 L17 L18W10-V14 VanDerWaalsContact O-CB 3.25Å; W10-V14 WeakPolarHBondContact O-CB 3.37Å; W10-V14 WeakPolarHBondContact O-CG2 3.44Å; W10-V14 PolarHBondContact O-N 3.19Å; V14-L17 PolarHBondContact O-N 2.98Å; V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 PolarHBondContact O-N 3.35Å
15L89.8Confident78.6Confident108 Ų108108.4 Ų108.457%0.56560%0.602SS**Hα-helixtrans-58.7-48.9179.5-173.867.6000113.8G11 L17 L18 L19G11-L15 VanDerWaalsContact O-CB 3.31Å; G11-L15 WeakPolarHBondContact O-CB 3.31Å; G11-L15 PolarHBondContact O-N 3.43Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.46Å; L15-L18 PolarHBondContact O-N 3.26Å; L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 PolarHBondContact O-N 3.36Å
16P92.4Very high80.9Confident66 Ų66110.5 Ų110.543%0.42960%0.598SS.*Hα-helixtrans-65.5-34.5176.223.7-33.2000112.9G12 R13 L19 V20G12-P16 WeakPolarHBondContact O-CD 3.47Å; R13-P16 WeakPolarHBondContact O-CD 3.25Å; R13-P16 WeakPolarHBondContact O-CG 3.15Å; P16-L19 PolarHBondContact O-N 3.14Å; P16-V20 WeakPolarHBondContact O-CG2 3.46Å; P16-V20 PolarHBondContact O-N 2.98Å
17L92.3Very high83.2Confident123 Ų123107.5 Ų107.564%0.64458%0.583SS**Hα-helixtrans-64.7-43.2174.9-73.9169.4000111.8R13 V14 L15 V20 Y21R13-L17 WeakPolarHBondContact O-CD1 3.45Å; R13-L17 WeakPolarHBondContact O-CG 3.39Å; V14-L17 PolarHBondContact O-N 2.98Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.46Å; L17-V20 PolarHBondContact O-N 3.38Å; L17-Y21 WeakPolarHBondContact O-CB 3.37Å; L17-Y21 PolarHBondContact O-N 3.32Å
18L93.6Very high85.5Confident97 Ų97102.9 Ų102.951%0.50856%0.555SS.*Hα-helixtrans-61.7-44.5175.5-178.966.1000111V14 L15 Y21 V22V14-L18 WeakPolarHBondContact O-CB 3.32Å; V14-L18 PolarHBondContact O-N 3.35Å; L15-L18 PolarHBondContact O-N 3.26Å; L18-Y21 PolarHBondContact O-N 3.15Å; L18-V22 HydrophobicContact CD1-CG2 4.3Å; L18-V22 HydrophobicContact CG-CG2 4.45Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.46Å
19L95.2Very high87.6Confident104 Ų104100.9 Ų100.955%0.54555%0.545SS..Hα-helixtrans-59.4-47.9176.3-81.3163.8000111.7L15 P16 Y21 V22 C23L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 PolarHBondContact O-N 3.36Å; P16-L19 PolarHBondContact O-N 3.14Å; L19-Y21 VanDerWaalsContact C-N 3.32Å; L19-Y21 PolarHBondContact O-N 3.35Å; L19-V22 PolarHBondContact O-N 2.88Å; L19-C23 WeakPolarHBondContact O-CB 3.34Å; L19-C23 PolarHBondContact O-N 3.24Å; L19-C23 PolarHBondContact O-SG 3.38Å
20V95.8Very high89.8Confident102 Ų10299 Ų9962%0.61853%0.53SS*.Hα-helixtrans-59.8-43.7176.7170.60000111.2P16 L17 C23 Y24P16-V20 WeakPolarHBondContact O-CG2 3.46Å; P16-V20 PolarHBondContact O-N 2.98Å; L17-V20 PolarHBondContact O-N 3.38Å; V20-C23 PolarHBondContact O-N 2.95Å; V20-Y24 WeakPolarHBondContact O-CB 3.46Å; V20-Y24 PolarHBondContact O-N 3.36Å
21Y94.9Very high91.8Very high141 Ų14193 Ų9355%0.55351%0.513SS*.Hα-helixtrans-63.4-46.2178.7-178.1-103.9000112.4L17 L18 L19 C23 Y24 L25L17-Y21 WeakPolarHBondContact O-CB 3.37Å; L17-Y21 PolarHBondContact O-N 3.32Å; L18-Y21 PolarHBondContact O-N 3.15Å; L19-Y21 VanDerWaalsContact C-N 3.32Å; L19-Y21 PolarHBondContact O-N 3.35Å; Y21-C23 PolarHBondContact O-N 3.43Å; Y21-Y24 WeakPolarHBondContact O-CB 3.28Å; Y21-Y24 PolarHBondContact O-N 2.9Å; Y21-L25 HydrophobicContact CD1-CD1 4.1Å; Y21-L25 HydrophobicContact CE1-CD1 3.52Å; Y21-L25 HydrophobicContact CE1-CG 4.2Å; Y21-L25 PolarHBondContact O-N 3.23Å
22V97.3Very high93.7Very high65 Ų6597.6 Ų97.639%0.39452%0.521SS..Hα-helixtrans-62.4-43.9176171.70000110.9L18 L19 Y24 L25 L26L18-V22 HydrophobicContact CD1-CG2 4.3Å; L18-V22 HydrophobicContact CG-CG2 4.45Å; L18-V22 WeakPolarHBondContact O-CG2 3.42Å; L18-V22 PolarHBondContact O-N 3.46Å; L19-V22 PolarHBondContact O-N 2.88Å; V22-Y24 VanDerWaalsContact C-N 3.3Å; V22-Y24 PolarHBondContact O-N 3.4Å; V22-L25 PolarHBondContact O-N 2.88Å; V22-L26 HydrophobicContact CG1-CD1 4Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CG 3.45Å; V22-L26 PolarHBondContact O-N 3.28Å
23C97.5Very high94.9Very high77 Ų77100.1 Ų100.152%0.5252%0.518SS..Hα-helixtrans-59.4-40.5174.9-72.60000112.1L19 V20 Y21 L26 L27L19-C23 WeakPolarHBondContact O-CB 3.34Å; L19-C23 PolarHBondContact O-N 3.24Å; L19-C23 PolarHBondContact O-SG 3.38Å; V20-C23 PolarHBondContact O-N 2.95Å; Y21-C23 PolarHBondContact O-N 3.43Å; C23-L26 PolarHBondContact O-N 3.21Å; C23-L27 WeakPolarHBondContact O-CB 3.32Å; C23-L27 PolarHBondContact O-N 2.98Å
24Y96.9Very high95.8Very high168 Ų16897.1 Ų97.166%0.65952%0.516SS*.Hα-helixtrans-63.1-42.4176.2-177.3-101.5000112.1V20 Y21 V22 L27 G28V20-Y24 WeakPolarHBondContact O-CB 3.46Å; V20-Y24 PolarHBondContact O-N 3.36Å; Y21-Y24 WeakPolarHBondContact O-CB 3.28Å; Y21-Y24 PolarHBondContact O-N 2.9Å; V22-Y24 VanDerWaalsContact C-N 3.3Å; V22-Y24 PolarHBondContact O-N 3.4Å; Y24-L27 PolarHBondContact O-N 3.45Å; Y24-G28 PolarHBondContact O-N 3.08Å
25L97.8Very high96.1Very high89 Ų8999 Ų9947%0.46652%0.523SS..Hα-helixtrans-65.6-42175.3-68.5-179.2000112.5Y21 V22 G28 A29Y21-L25 HydrophobicContact CD1-CD1 4.1Å; Y21-L25 HydrophobicContact CE1-CD1 3.52Å; Y21-L25 HydrophobicContact CE1-CG 4.2Å; Y21-L25 PolarHBondContact O-N 3.23Å; V22-L25 PolarHBondContact O-N 2.88Å; L25-G28 PolarHBondContact O-N 3.33Å; L25-A29 WeakPolarHBondContact O-CB 3.37Å; L25-A29 PolarHBondContact O-N 3.45Å
26L98.1Very high96.4Very high106 Ų10699.3 Ų99.356%0.55552%0.522SS*.Hα-helixtrans-64.2-40.9176.9-70.5172.9000111.8V22 C23 A29 T30V22-L26 HydrophobicContact CG1-CD1 4Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CG 3.45Å; V22-L26 PolarHBondContact O-N 3.28Å; C23-L26 PolarHBondContact O-N 3.21Å; L26-A29 PolarHBondContact O-N 3.37Å; L26-T30 WeakPolarHBondContact O-CG2 3.37Å; L26-T30 PolarHBondContact O-N 3.05Å; L26-T30 PolarHBondContact O-OG1 2.92Å
27L97.9Very high96.6Very high101 Ų101104 Ų10453%0.52953%0.531SS..Hα-helixtrans-60.1-48172.7-178.566.9000111C23 Y24 A29 T30 I31C23-L27 WeakPolarHBondContact O-CB 3.32Å; C23-L27 PolarHBondContact O-N 2.98Å; Y24-L27 PolarHBondContact O-N 3.45Å; L27-A29 PolarHBondContact O-N 3Å; L27-T30 PolarHBondContact O-N 3.37Å; L27-T30 PolarHBondContact O-OG1 3.43Å; L27-I31 HydrophobicContact CD1-CD1 3.96Å; L27-I31 HydrophobicContact CD1-CG1 4.44Å; L27-I31 HydrophobicContact CG-CD1 3.92Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.37Å
28G97.6Very high96.8Very high24 Ų24104 Ų10425%0.24753%0.527CS..Hα-helixtrans-58.8-47.3175.500000112.6Y24 L25 T30 I31 F32Y24-G28 PolarHBondContact O-N 3.08Å; L25-G28 PolarHBondContact O-N 3.33Å; G28-T30 PolarHBondContact O-N 3.38Å; G28-I31 PolarHBondContact O-N 3.45Å; G28-F32 WeakPolarHBondContact O-CD2 3.39Å; G28-F32 PolarHBondContact O-N 2.63Å
29A98.1Very high96.8Very high58 Ų58101.1 Ų101.148%0.47952%0.518SS..Hα-helixtrans-59.8-45.1179.800000112.3L25 L26 L27 Q33L25-A29 WeakPolarHBondContact O-CB 3.37Å; L25-A29 PolarHBondContact O-N 3.45Å; L26-A29 PolarHBondContact O-N 3.37Å; L27-A29 PolarHBondContact O-N 3Å; A29-Q33 VanDerWaalsContact O-CB 3.23Å; A29-Q33 WeakPolarHBondContact O-CB 3.49Å; A29-Q33 PolarHBondContact O-N 3.08Å
30T97.9Very high96.8Very high68 Ų68100.6 Ų100.642%0.41751%0.513SS..Hα-helixtrans-65.2-42.9177.550.10000112.1L26 L27 G28 Q33 L34L26-T30 WeakPolarHBondContact O-CG2 3.37Å; L26-T30 PolarHBondContact O-N 3.05Å; L26-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 PolarHBondContact O-N 3.37Å; L27-T30 PolarHBondContact O-OG1 3.43Å; G28-T30 PolarHBondContact O-N 3.38Å; T30-Q33 PolarHBondContact O-N 3.29Å; T30-L34 WeakPolarHBondContact O-CB 3.32Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.46Å; T30-L34 PolarHBondContact O-N 2.66Å
31I97.7Very high96.8Very high80 Ų8098.1 Ų98.141%0.4150%0.503SS..Hα-helixtrans-64-49.3177.3-67.9171.2000110.8L27 G28 Q33 L34 L35L27-I31 HydrophobicContact CD1-CD1 3.96Å; L27-I31 HydrophobicContact CD1-CG1 4.44Å; L27-I31 HydrophobicContact CG-CD1 3.92Å; L27-I31 VanDerWaalsContact O-CG1 3.31Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.37Å; G28-I31 PolarHBondContact O-N 3.45Å; I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 2.92Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-L34 VanDerWaalsContact O-N 3.17Å; I31-L35 HydrophobicContact CG2-CD1 3.71Å; I31-L35 HydrophobicContact CG2-CG 4.32Å; I31-L35 WeakPolarHBondContact O-CG 3.47Å; I31-L35 PolarHBondContact O-N 3.49Å
32F97.4Very high96.9Very high139 Ų13997 Ų9761%0.6150%0.503SS*.Hα-helixtrans-61.7-41.4177.9-76.6-57.1000111.9G28 L34 L35 E36G28-F32 WeakPolarHBondContact O-CD2 3.39Å; G28-F32 PolarHBondContact O-N 2.63Å; F32-L34 VanDerWaalsContact C-N 3.31Å; F32-L34 PolarHBondContact O-N 3.12Å; F32-L35 PolarHBondContact O-N 2.93Å; F32-E36 VanDerWaalsContact O-CB 3.27Å; F32-E36 WeakPolarHBondContact O-CB 3.37Å; F32-E36 WeakPolarHBondContact O-CG 3.29Å; F32-E36 PolarHBondContact O-N 3.23Å
33Q97.7Very high96.8Very high108 Ų10897.7 Ų97.751%0.50551%0.51SS..Hα-helixtrans-61.2-40.6175.5-174.6-17816.400111.8A29 T30 I31 R37A29-Q33 VanDerWaalsContact O-CB 3.23Å; A29-Q33 WeakPolarHBondContact O-CB 3.49Å; A29-Q33 PolarHBondContact O-N 3.08Å; T30-Q33 PolarHBondContact O-N 3.29Å; I31-Q33 VanDerWaalsContact C-N 3.34Å; I31-Q33 PolarHBondContact O-N 2.92Å; Q33-R37 WeakPolarHBondContact O-CB 3.41Å; Q33-R37 PolarHBondContact O-N 3.39Å
34L96.4Very high96.6Very high142 Ų142101.4 Ų101.474%0.74351%0.513SS*.Hα-helixtrans-68.8-39.4179.3-73.5170.1000112.4T30 I31 F32T30-L34 WeakPolarHBondContact O-CB 3.32Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.46Å; T30-L34 PolarHBondContact O-N 2.66Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-L34 VanDerWaalsContact O-N 3.17Å; F32-L34 VanDerWaalsContact C-N 3.31Å; F32-L34 PolarHBondContact O-N 3.12Å
35L95.7Very high96.6Very high112 Ų112101.1 Ų101.159%0.58651%0.512SS*.Hα-helixtrans-78.1-45.6-178.3-65.4176.2000112.3I31 F32I31-L35 HydrophobicContact CG2-CD1 3.71Å; I31-L35 HydrophobicContact CG2-CG 4.32Å; I31-L35 WeakPolarHBondContact O-CG 3.47Å; I31-L35 PolarHBondContact O-N 3.49Å; F32-L35 PolarHBondContact O-N 2.93Å
36E96.6Very high96.5Very high115 Ų115102.3 Ų102.354%0.53752%0.515SS..Hα-helixtrans-91.2-28.5-168.6-61.6-58.5151.300113.8F32 Q38 A39 E40F32-E36 VanDerWaalsContact O-CB 3.27Å; F32-E36 WeakPolarHBondContact O-CB 3.37Å; F32-E36 WeakPolarHBondContact O-CG 3.29Å; F32-E36 PolarHBondContact O-N 3.23Å; E36-Q38 VanDerWaalsContact C-N 3.29Å; E36-Q38 PolarHBondContact O-N 3.03Å; E36-A39 PolarHBondContact O-N 3.5Å; E36-E40 WeakPolarHBondContact O-CB 3.46Å; E36-E40 PolarHBondContact O-N 3.05Å
37R96.7Very high96.3Very high165 Ų165102.8 Ų102.862%0.62351%0.513SS*.Hα-helixtrans-60.4-38.7-174.2-178.3179.5179.8-177.6-0.1112.7Q33 A41Q33-R37 WeakPolarHBondContact O-CB 3.41Å; Q33-R37 PolarHBondContact O-N 3.39Å; R37-A41 WeakPolarHBondContact O-CB 3.5Å; R37-A41 PolarHBondContact O-N 3.31Å; R37-A41 VanDerWaalsContact O-N 3.11Å
38Q95.4Very high96.1Very high122 Ų122102.8 Ų102.857%0.5751%0.51SS*.Hα-helixtrans-72.9-42.3179.7-175.263.410.400111.4E36 E40 A41 Q42E36-Q38 VanDerWaalsContact C-N 3.29Å; E36-Q38 PolarHBondContact O-N 3.03Å; Q38-E40 VanDerWaalsContact C-N 3.35Å; Q38-A41 PolarHBondContact O-N 2.82Å; Q38-Q42 WeakPolarHBondContact O-CG 3.23Å; Q38-Q42 PolarHBondContact O-N 3.21Å
39A93.9Very high96Very high38 Ų38103.9 Ų103.931%0.31451%0.51SS..Hα-helixtrans-63.9-40.3177.100000111.8E36 Q42 S43E36-A39 PolarHBondContact O-N 3.5Å; A39-Q42 PolarHBondContact O-N 2.99Å; A39-S43 WeakPolarHBondContact O-CB 3.4Å; A39-S43 PolarHBondContact O-N 2.93Å; A39-S43 PolarHBondContact O-OG 3.44Å
40E96.1Very high95.8Very high93 Ų93105 Ų10544%0.43551%0.505SS..Hα-helixtrans-61.6-47.5173.6-174.4-168.6-164.100111.4E36 Q38 Q42 S43 R44E36-E40 WeakPolarHBondContact O-CB 3.46Å; E36-E40 PolarHBondContact O-N 3.05Å; Q38-E40 VanDerWaalsContact C-N 3.35Å; E40-Q42 VanDerWaalsContact C-N 3.32Å; E40-Q42 PolarHBondContact O-N 3.48Å; E40-S43 PolarHBondContact O-N 2.93Å; E40-R44 HydrophobicContact CG-CG 4.41Å; E40-R44 WeakPolarHBondContact O-CB 3.24Å; E40-R44 WeakPolarHBondContact O-CG 3.36Å; E40-R44 PolarHBondContact O-N 2.96Å; E40-R44 IonicContact OE1-CZ 2.92Å; E40-R44 IonicContact OE1-NE 3.25Å; E40-R44 PolarHBondContact OE1-NE 2.94Å; E40-R44 VanDerWaalsContact OE1-NE 3.09Å; E40-R44 IonicContact OE1-NH2 3.68Å; E40-R44 PolarHBondContact OE1-NH2 3.49Å
41A96.1Very high95.6Very high49 Ų49103.5 Ų103.541%0.40549%0.493SS..Hα-helixtrans-60.7-41.8179.600000111.9R37 Q38 Y45R37-A41 WeakPolarHBondContact O-CB 3.5Å; R37-A41 PolarHBondContact O-N 3.31Å; R37-A41 VanDerWaalsContact O-N 3.11Å; Q38-A41 PolarHBondContact O-N 2.82Å; A41-Y45 WeakPolarHBondContact O-CB 3.31Å; A41-Y45 PolarHBondContact O-N 2.83Å
42Q96Very high95.3Very high119 Ų119104.8 Ų104.856%0.55650%0.5SS*.Hα-helixtrans-64-44.7174.7-73.4176-17.400111.9Q38 A39 E40 R44 Y45 H46Q38-Q42 WeakPolarHBondContact O-CG 3.23Å; Q38-Q42 PolarHBondContact O-N 3.21Å; A39-Q42 PolarHBondContact O-N 2.99Å; E40-Q42 VanDerWaalsContact C-N 3.32Å; E40-Q42 PolarHBondContact O-N 3.48Å; Q42-R44 PolarHBondContact O-N 3.31Å; Q42-Y45 PolarHBondContact O-N 2.92Å; Q42-H46 WeakPolarHBondContact O-CB 3.48Å; Q42-H46 PolarHBondContact O-N 2.92Å
43S94.4Very high95.2Very high78 Ų78104.3 Ų104.355%0.54549%0.494SS..Hα-helixtrans-64.3-41.3179.3-59.50000111.8A39 E40 H46 F47A39-S43 WeakPolarHBondContact O-CB 3.4Å; A39-S43 PolarHBondContact O-N 2.93Å; A39-S43 PolarHBondContact O-OG 3.44Å; E40-S43 PolarHBondContact O-N 2.93Å; S43-H46 PolarHBondContact O-N 3.4Å; S43-F47 WeakPolarHBondContact O-CB 3.2Å; S43-F47 PolarHBondContact O-N 3.4Å
44R94.8Very high95.1Very high156 Ų156103.5 Ų103.559%0.58949%0.489SS*.Hα-helixtrans-61.7-46.7173.9-74.1176.4178.5-162.6-0.7111.5E40 Q42 F47 Q48E40-R44 HydrophobicContact CG-CG 4.41Å; E40-R44 WeakPolarHBondContact O-CB 3.24Å; E40-R44 WeakPolarHBondContact O-CG 3.36Å; E40-R44 PolarHBondContact O-N 2.96Å; E40-R44 IonicContact OE1-CZ 2.92Å; E40-R44 IonicContact OE1-NE 3.25Å; E40-R44 PolarHBondContact OE1-NE 2.94Å; E40-R44 VanDerWaalsContact OE1-NE 3.09Å; E40-R44 IonicContact OE1-NH2 3.68Å; E40-R44 PolarHBondContact OE1-NH2 3.49Å; Q42-R44 PolarHBondContact O-N 3.31Å; R44-F47 PolarHBondContact O-N 2.99Å; R44-Q48 WeakPolarHBondContact O-CG 3.37Å; R44-Q48 PolarHBondContact O-N 3.38Å; R44-Q48 VanDerWaalsContact O-N 3.09Å
45Y95.9Very high94.9Very high162 Ų16298 Ų9864%0.63546%0.461SS*.Hα-helixtrans-62-46.5177.6178.7-97.8000111.5A41 Q42 F47 Q48 L49A41-Y45 WeakPolarHBondContact O-CB 3.31Å; A41-Y45 PolarHBondContact O-N 2.83Å; Q42-Y45 PolarHBondContact O-N 2.92Å; Y45-F47 PolarHBondContact O-N 3.48Å; Y45-Q48 PolarHBondContact O-N 3.46Å; Y45-L49 HydrophobicContact CE1-CD2 4.06Å; Y45-L49 WeakPolarHBondContact O-CB 3.33Å; Y45-L49 PolarHBondContact O-N 3.44Å
46H96.3Very high94.8Very high114 Ų114100 Ų10053%0.52847%0.467SS..Hα-helixtrans-59.1-45.4177.7-173.7-80.9000111.9Q42 S43 Q48 L49 E50Q42-H46 WeakPolarHBondContact O-CB 3.48Å; Q42-H46 PolarHBondContact O-N 2.92Å; S43-H46 PolarHBondContact O-N 3.4Å; H46-Q48 PolarHBondContact O-N 2.91Å; H46-L49 PolarHBondContact O-N 3.08Å; H46-E50 WeakPolarHBondContact O-CB 3.41Å; H46-E50 WeakPolarHBondContact O-CG 3.37Å; H46-E50 PolarHBondContact O-N 3.32Å
47F93.8Very high94.8Very high116 Ų116100 Ų10051%0.50947%0.471SS..Hα-helixtrans-59.4-46.4176.6174.7-101.1000112.6S43 R44 Y45 K51S43-F47 WeakPolarHBondContact O-CB 3.2Å; S43-F47 PolarHBondContact O-N 3.4Å; R44-F47 PolarHBondContact O-N 2.99Å; Y45-F47 PolarHBondContact O-N 3.48Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 PolarHBondContact O-N 3.26Å
48Q93.3Very high94.7Very high100 Ų10097.6 Ų97.647%0.46746%0.462SS..Hα-helixtrans-65-40.6178.5-66.4-64.1-2000111.7R44 Y45 H46 K51 L52R44-Q48 WeakPolarHBondContact O-CG 3.37Å; R44-Q48 PolarHBondContact O-N 3.38Å; R44-Q48 VanDerWaalsContact O-N 3.09Å; Y45-Q48 PolarHBondContact O-N 3.46Å; H46-Q48 PolarHBondContact O-N 2.91Å; Q48-K51 PolarHBondContact O-N 3.41Å; Q48-L52 WeakPolarHBondContact O-CG 3.46Å; Q48-L52 PolarHBondContact O-N 3.01Å
49L95.4Very high94.4Very high48 Ų4898 Ų9825%0.25147%0.473SS..Hα-helixtrans-64.6-46.6178.6-176.763.8000111.9Y45 H46 K51 L52 R53Y45-L49 HydrophobicContact CE1-CD2 4.06Å; Y45-L49 WeakPolarHBondContact O-CB 3.33Å; Y45-L49 PolarHBondContact O-N 3.44Å; H46-L49 PolarHBondContact O-N 3.08Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.47Å; L49-L52 PolarHBondContact O-N 2.77Å; L49-R53 WeakPolarHBondContact O-CG 3.39Å; L49-R53 PolarHBondContact O-N 2.78Å
50E94.4Very high94.4Very high81 Ų81101.8 Ų101.838%0.37950%0.496SS..Hα-helixtrans-63.3-38.7176.6-74.4-57.5128.200111.8H46 L52 R53 F54H46-E50 WeakPolarHBondContact O-CB 3.41Å; H46-E50 WeakPolarHBondContact O-CG 3.37Å; H46-E50 PolarHBondContact O-N 3.32Å; E50-L52 PolarHBondContact O-N 3.16Å; E50-R53 PolarHBondContact O-N 2.91Å; E50-R53 IonicContact OE1-CZ 3.76Å; E50-R53 IonicContact OE1-NH1 2.71Å; E50-R53 PolarHBondContact OE1-NH1 3Å; E50-F54 VanDerWaalsContact O-CB 3.31Å; E50-F54 WeakPolarHBondContact O-CB 3.4Å; E50-F54 PolarHBondContact O-N 3.17Å
51K92.9Very high94.2Very high37 Ų37100 Ų10016%0.16149%0.489CS..Hα-helixtrans-59.6-44.9173.3-176.4-176.5173.4-173.20111.9F47 Q48 L49 F54 L55 L66 E67F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 PolarHBondContact O-N 3.26Å; Q48-K51 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.47Å; K51-F54 PolarHBondContact O-N 3.47Å; K51-L55 WeakPolarHBondContact O-CG 3.49Å; K51-L55 PolarHBondContact O-N 3.03Å; K51-L55 VanDerWaalsContact O-N 3.12Å; K51-L66 HydrophobicContact CG-CD2 3.87Å; K51-E67 IonicContact NZ-OE1 2.67Å; K51-E67 PolarHBondContact NZ-OE1 3.01Å
52L92.5Very high94Very high106 Ų106103.3 Ų103.356%0.55550%0.5SS*.Hα-helixtrans-66.9-44.8178.2-71172.6000112Q48 L49 E50 F54 L55 E56Q48-L52 WeakPolarHBondContact O-CG 3.46Å; Q48-L52 PolarHBondContact O-N 3.01Å; L49-L52 PolarHBondContact O-N 2.77Å; E50-L52 PolarHBondContact O-N 3.16Å; L52-F54 VanDerWaalsContact C-N 3.25Å; L52-F54 PolarHBondContact O-N 3.25Å; L52-L55 PolarHBondContact O-N 3.42Å; L52-E56 PolarHBondContact O-N 2.95Å
53R95.1Very high93.8Very high129 Ų129102.9 Ų102.949%0.48750%0.498SS..Hα-helixtrans-57.9-39.8174.6-75.1176178.5166.2-3.2111.9L49 E50 E56 N57L49-R53 WeakPolarHBondContact O-CG 3.39Å; L49-R53 PolarHBondContact O-N 2.78Å; E50-R53 PolarHBondContact O-N 2.91Å; E50-R53 IonicContact OE1-CZ 3.76Å; E50-R53 IonicContact OE1-NH1 2.71Å; E50-R53 PolarHBondContact OE1-NH1 3Å; R53-E56 PolarHBondContact O-N 3.39Å; R53-N57 WeakPolarHBondContact O-CB 3.31Å; R53-N57 PolarHBondContact O-N 2.97Å
54F94.4Very high93.7Very high91 Ų91107.3 Ų107.340%0.39950%0.503SS..Hα-helixtrans-64.1-44.8177.2-170-96.9000111.7E50 K51 L52 E56 N57 Y58 L61 L66E50-F54 VanDerWaalsContact O-CB 3.31Å; E50-F54 WeakPolarHBondContact O-CB 3.4Å; E50-F54 PolarHBondContact O-N 3.17Å; K51-F54 PolarHBondContact O-N 3.47Å; L52-F54 VanDerWaalsContact C-N 3.25Å; L52-F54 PolarHBondContact O-N 3.25Å; F54-E56 VanDerWaalsContact C-N 3.35Å; F54-N57 PolarHBondContact O-N 3.44Å; F54-Y58 HydrophobicContact CD1-CD2 4.28Å; F54-Y58 AromaticContact CD2-CD2 3.97Å; F54-Y58 HydrophobicContact CD2-CD2 3.97Å; F54-Y58 AromaticContact CD2-CE2 3.9Å; F54-Y58 HydrophobicContact CD2-CE2 3.9Å; F54-Y58 HydrophobicContact CE1-CD2 4.08Å; F54-Y58 AromaticContact CE2-CD2 3.75Å; F54-Y58 HydrophobicContact CE2-CD2 3.75Å; F54-Y58 AromaticContact CE2-CE2 3.49Å; F54-Y58 HydrophobicContact CE2-CE2 3.49Å; F54-Y58 VanDerWaalsContact CE2-CE2 3.49Å; F54-Y58 HydrophobicContact CG-CD2 4.23Å; F54-Y58 AromaticContact CZ-CD2 3.8Å; F54-Y58 HydrophobicContact CZ-CD2 3.8Å; F54-Y58 AromaticContact CZ-CE2 3.89Å; F54-Y58 HydrophobicContact CZ-CE2 3.89Å; F54-Y58 VanDerWaalsContact O-CD2 3.31Å; F54-Y58 WeakPolarHBondContact O-CD2 3.22Å; F54-Y58 PolarHBondContact O-N 3.35Å; F54-Y58 VanDerWaalsContact O-N 3.08Å; F54-L61 HydrophobicContact CD1-CD2 4.08Å; F54-L61 HydrophobicContact CE1-CD2 3.56Å; F54-L66 HydrophobicContact CD1-CD1 4.06Å; F54-L66 HydrophobicContact CD1-CD2 4.01Å; F54-L66 HydrophobicContact CE1-CD1 3.94Å
55L93.8Very high93.6Very high27 Ų27102 Ų10214%0.14149%0.493CS..Hα-helixtrans-65.8-36176.1-70.1169.7000112.6K51 L52 Y58 L61 Q63 L66K51-L55 WeakPolarHBondContact O-CG 3.49Å; K51-L55 PolarHBondContact O-N 3.03Å; K51-L55 VanDerWaalsContact O-N 3.12Å; L52-L55 PolarHBondContact O-N 3.42Å; L55-Y58 CarbonylContact O-C 3.58Å; L55-Y58 VanDerWaalsContact O-C 3.31Å; L55-Y58 PolarHBondContact O-N 3.21Å; L55-L61 HydrophobicContact CD2-CD2 4.35Å; L55-L61 HydrophobicContact CD2-CG 4.43Å; L55-L61 WeakPolarHBondContact CD2-O 3.28Å; L55-Q63 HydrophobicContact CD1-CB 4.01Å; L55-Q63 HydrophobicContact CD1-CG 4.18Å; L55-L66 HydrophobicContact CD1-CD2 4.22Å; L55-L66 HydrophobicContact CD2-CB 4.16Å; L55-L66 HydrophobicContact CD2-CD2 3.71Å; L55-L66 HydrophobicContact CG-CD2 3.78Å
56E93.7Very high93.5Very high155 Ų15595 Ų9572%0.72447%0.466SS*.Hα-helixtrans-66.6-40.1175.9-172.1176.6-165.400111.9L52 R53 F54 Y58L52-E56 PolarHBondContact O-N 2.95Å; R53-E56 PolarHBondContact O-N 3.39Å; F54-E56 VanDerWaalsContact C-N 3.35Å; E56-Y58 VanDerWaalsContact C-N 3.32Å
57N96.2Very high93.3Very high115 Ų11592.3 Ų92.362%0.61545%0.454SS*.Hα-helixtrans-71.7-26.9178-167.551.5000112.8R53 F54R53-N57 WeakPolarHBondContact O-CB 3.31Å; R53-N57 PolarHBondContact O-N 2.97Å; F54-N57 PolarHBondContact O-N 3.44Å
58Y93.9Very high93.3Very high113 Ų11390.1 Ų90.144%0.44345%0.445SS..  trans-120.575.4-179-63.5-74.5000111.2F54 L55 E56 C60 L61F54-Y58 HydrophobicContact CD1-CD2 4.28Å; F54-Y58 AromaticContact CD2-CD2 3.97Å; F54-Y58 HydrophobicContact CD2-CD2 3.97Å; F54-Y58 AromaticContact CD2-CE2 3.9Å; F54-Y58 HydrophobicContact CD2-CE2 3.9Å; F54-Y58 HydrophobicContact CE1-CD2 4.08Å; F54-Y58 AromaticContact CE2-CD2 3.75Å; F54-Y58 HydrophobicContact CE2-CD2 3.75Å; F54-Y58 AromaticContact CE2-CE2 3.49Å; F54-Y58 HydrophobicContact CE2-CE2 3.49Å; F54-Y58 VanDerWaalsContact CE2-CE2 3.49Å; F54-Y58 HydrophobicContact CG-CD2 4.23Å; F54-Y58 AromaticContact CZ-CD2 3.8Å; F54-Y58 HydrophobicContact CZ-CD2 3.8Å; F54-Y58 AromaticContact CZ-CE2 3.89Å; F54-Y58 HydrophobicContact CZ-CE2 3.89Å; F54-Y58 VanDerWaalsContact O-CD2 3.31Å; F54-Y58 WeakPolarHBondContact O-CD2 3.22Å; F54-Y58 PolarHBondContact O-N 3.35Å; F54-Y58 VanDerWaalsContact O-N 3.08Å; L55-Y58 CarbonylContact O-C 3.58Å; L55-Y58 VanDerWaalsContact O-C 3.31Å; L55-Y58 PolarHBondContact O-N 3.21Å; E56-Y58 VanDerWaalsContact C-N 3.32Å; Y58-C60 PolarHBondContact O-N 3.44Å; Y58-L61 WeakPolarHBondContact O-CB 3.38Å; Y58-L61 PolarHBondContact O-N 3.29Å
59T90.2Very high93.3Very high130 Ų13091.5 Ų91.580%0.79845%0.45SS*.THydrogen-bonded Turntrans-62.3-15.7-177.457.40000115L61T59-L61 VanDerWaalsContact C-N 3.29Å
60C92.3Very high93.2Very high118 Ų11891.8 Ų91.880%0.79745%0.453SS*.THydrogen-bonded Turntrans-81.2-6.7173.161.50000113.9Y58Y58-C60 PolarHBondContact O-N 3.44Å
61L93.1Very high93.1Very high55 Ų5593.2 Ų93.229%0.28846%0.46SS..SBendtrans-105.8113.8-177.9-171.873.4000110.3F54 L55 Y58 T59 A65 L66F54-L61 HydrophobicContact CD1-CD2 4.08Å; F54-L61 HydrophobicContact CE1-CD2 3.56Å; L55-L61 HydrophobicContact CD2-CD2 4.35Å; L55-L61 HydrophobicContact CD2-CG 4.43Å; L55-L61 WeakPolarHBondContact CD2-O 3.28Å; Y58-L61 WeakPolarHBondContact O-CB 3.38Å; Y58-L61 PolarHBondContact O-N 3.29Å; T59-L61 VanDerWaalsContact C-N 3.29Å; L61-A65 HydrophobicContact CD1-CB 4.05Å; L61-L66 HydrophobicContact CD2-CB 3.96Å; L61-L66 HydrophobicContact CD2-CD1 4.06Å; L61-L66 HydrophobicContact CD2-CG 4.42Å; L61-L66 HydrophobicContact CG-CB 4.37Å
62D91.9Very high93.1Very high120 Ų12095.7 Ų95.764%0.64248%0.478SS*.  trans-73.4150.4173.8-64.4-42.8000111.8W64 A65 L66D62-W64 PolarHBondContact O-N 3.41Å; D62-A65 PolarHBondContact O-N 2.84Å; D62-A65 VanDerWaalsContact O-N 3.1Å; D62-L66 PolarHBondContact O-N 2.97Å; D62-L66 VanDerWaalsContact O-N 3.1Å
63Q91.3Very high93.1Very high109 Ų10993.1 Ų93.151%0.50947%0.465SS..Hα-helixtrans-54.9-40.2177.4179.7176.1-14.900112.6L55 L66 E67L55-Q63 HydrophobicContact CD1-CB 4.01Å; L55-Q63 HydrophobicContact CD1-CG 4.18Å; Q63-L66 PolarHBondContact O-N 3.46Å; Q63-E67 HydrophobicContact CG-CG 4.48Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.43Å; Q63-E67 PolarHBondContact NE2-OE1 3.31Å; Q63-E67 WeakPolarHBondContact O-CG 3.45Å; Q63-E67 PolarHBondContact O-N 2.91Å
64W92Very high92.9Very high171 Ų17192.1 Ų92.165%0.64847%0.467SS*.Hα-helixtrans-62.8-44.5178.4177.2-108000112.1D62 L66 E67 Q68D62-W64 PolarHBondContact O-N 3.41Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 2.97Å; W64-E67 PolarHBondContact O-N 3.31Å; W64-Q68 HydrophobicContact CD2-CG 4.25Å; W64-Q68 HydrophobicContact CZ2-CG 4.05Å; W64-Q68 VanDerWaalsContact CZ2-NE2 3.28Å; W64-Q68 WeakPolarHBondContact O-CG 3.3Å; W64-Q68 PolarHBondContact O-N 3.48Å
65A93.1Very high92.7Very high45 Ų4593 Ų9337%0.37247%0.472SS..Hα-helixtrans-62.8-41178.500000111.3L61 D62 Q68 F69L61-A65 HydrophobicContact CD1-CB 4.05Å; D62-A65 PolarHBondContact O-N 2.84Å; D62-A65 VanDerWaalsContact O-N 3.1Å; A65-Q68 PolarHBondContact O-N 3.18Å; A65-F69 PolarHBondContact O-N 3.36Å
66L93.6Very high92.4Very high16 Ų1693.2 Ų93.28%0.08448%0.478CS..Hα-helixtrans-63.2-44.6174.518060.8000111.8K51 F54 L55 L61 D62 Q63 W64 F69 V70K51-L66 HydrophobicContact CG-CD2 3.87Å; F54-L66 HydrophobicContact CD1-CD1 4.06Å; F54-L66 HydrophobicContact CD1-CD2 4.01Å; F54-L66 HydrophobicContact CE1-CD1 3.94Å; L55-L66 HydrophobicContact CD1-CD2 4.22Å; L55-L66 HydrophobicContact CD2-CB 4.16Å; L55-L66 HydrophobicContact CD2-CD2 3.71Å; L55-L66 HydrophobicContact CG-CD2 3.78Å; L61-L66 HydrophobicContact CD2-CB 3.96Å; L61-L66 HydrophobicContact CD2-CD1 4.06Å; L61-L66 HydrophobicContact CD2-CG 4.42Å; L61-L66 HydrophobicContact CG-CB 4.37Å; D62-L66 PolarHBondContact O-N 2.97Å; D62-L66 VanDerWaalsContact O-N 3.1Å; Q63-L66 PolarHBondContact O-N 3.46Å; W64-L66 VanDerWaalsContact C-N 3.32Å; W64-L66 PolarHBondContact O-N 2.97Å; L66-F69 PolarHBondContact O-N 3.07Å; L66-V70 HydrophobicContact CD1-CG2 4.28Å; L66-V70 HydrophobicContact CG-CG2 4.47Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.32Å; L66-V70 PolarHBondContact O-N 2.66Å
67E92.4Very high92.1Very high57 Ų5792.7 Ų92.727%0.26647%0.469SS..Hα-helixtrans-63.9-41178.5-75.7174.4-172.100112.3K51 Q63 W64 V70 Q71K51-E67 IonicContact NZ-OE1 2.67Å; K51-E67 PolarHBondContact NZ-OE1 3.01Å; Q63-E67 HydrophobicContact CG-CG 4.48Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.43Å; Q63-E67 PolarHBondContact NE2-OE1 3.31Å; Q63-E67 WeakPolarHBondContact O-CG 3.45Å; Q63-E67 PolarHBondContact O-N 2.91Å; W64-E67 PolarHBondContact O-N 3.31Å; E67-V70 PolarHBondContact O-N 2.89Å; E67-Q71 WeakPolarHBondContact O-CG 3.37Å; E67-Q71 PolarHBondContact O-N 2.88Å
68Q94.5Very high91.5Very high70 Ų7092.5 Ų92.533%0.32747%0.472SS..Hα-helixtrans-60.2-44.6172.7-73.3-61.6-56.700111.5W64 A65 Q71 V72W64-Q68 HydrophobicContact CD2-CG 4.25Å; W64-Q68 HydrophobicContact CZ2-CG 4.05Å; W64-Q68 VanDerWaalsContact CZ2-NE2 3.28Å; W64-Q68 WeakPolarHBondContact O-CG 3.3Å; W64-Q68 PolarHBondContact O-N 3.48Å; A65-Q68 PolarHBondContact O-N 3.18Å; Q68-Q71 VanDerWaalsContact NE2-OE1 3.1Å; Q68-Q71 WeakPolarHBondContact O-CB 3.39Å; Q68-Q71 PolarHBondContact O-N 3.03Å; Q68-V72 WeakPolarHBondContact O-CG2 3.35Å; Q68-V72 PolarHBondContact O-N 3.47Å
69F92.6Very high91.1Very high128 Ų12892.1 Ų92.156%0.56147%0.472SS*.Hα-helixtrans-63.8-42.9176.9-178.5-117.5000112.5A65 L66 Q71 V72 I73A65-F69 PolarHBondContact O-N 3.36Å; L66-F69 PolarHBondContact O-N 3.07Å; F69-Q71 VanDerWaalsContact C-N 3.31Å; F69-Q71 PolarHBondContact O-N 3.2Å; F69-V72 PolarHBondContact O-N 3.46Å; F69-I73 HydrophobicContact CD1-CD1 3.86Å; F69-I73 HydrophobicContact CE1-CD1 3.37Å; F69-I73 HydrophobicContact CE1-CG1 4.39Å; F69-I73 HydrophobicContact CE2-CD1 4.2Å; F69-I73 HydrophobicContact CE2-CG1 4.42Å; F69-I73 HydrophobicContact CG-CD1 4.47Å; F69-I73 HydrophobicContact CZ-CD1 3.57Å; F69-I73 HydrophobicContact CZ-CG1 4.23Å; F69-I73 PolarHBondContact O-N 2.8Å
70V92.6Very high90.6Very high54 Ų5486.4 Ų86.433%0.32744%0.44SS..Hα-helixtrans-61.2-40.6174.6171.30000110.8L66 E67 V72 I73 M74L66-V70 HydrophobicContact CD1-CG2 4.28Å; L66-V70 HydrophobicContact CG-CG2 4.47Å; L66-V70 VanDerWaalsContact O-CG2 3.28Å; L66-V70 WeakPolarHBondContact O-CG2 3.32Å; L66-V70 PolarHBondContact O-N 2.66Å; E67-V70 PolarHBondContact O-N 2.89Å; V70-V72 PolarHBondContact O-N 3.28Å; V70-I73 PolarHBondContact O-N 2.73Å; V70-M74 HydrophobicContact CG1-CG 4.16Å; V70-M74 WeakPolarHBondContact O-CB 3.38Å; V70-M74 VanDerWaalsContact O-CG 3.25Å; V70-M74 WeakPolarHBondContact O-CG 3.29Å; V70-M74 PolarHBondContact O-N 2.82Å
71Q93.6Very high90.2Very high112 Ų11284.8 Ų84.852%0.52343%0.426SS..Hα-helixtrans-59.8-44.5175.2-77177.7-5.100112E67 Q68 F69 I73 M74 E75E67-Q71 WeakPolarHBondContact O-CG 3.37Å; E67-Q71 PolarHBondContact O-N 2.88Å; Q68-Q71 VanDerWaalsContact NE2-OE1 3.1Å; Q68-Q71 WeakPolarHBondContact O-CB 3.39Å; Q68-Q71 PolarHBondContact O-N 3.03Å; F69-Q71 VanDerWaalsContact C-N 3.31Å; F69-Q71 PolarHBondContact O-N 3.2Å; Q71-I73 VanDerWaalsContact C-N 3.34Å; Q71-I73 PolarHBondContact O-N 3.16Å; Q71-M74 PolarHBondContact O-N 3.39Å; Q71-E75 WeakPolarHBondContact O-CB 3.5Å; Q71-E75 PolarHBondContact O-N 2.8Å
72V93Very high89.7Confident88 Ų8884 Ų8453%0.53342%0.422SS..Hα-helixtrans-60.3-44176172.90000111.3Q68 F69 V70 E75 A76Q68-V72 WeakPolarHBondContact O-CG2 3.35Å; Q68-V72 PolarHBondContact O-N 3.47Å; F69-V72 PolarHBondContact O-N 3.46Å; V70-V72 PolarHBondContact O-N 3.28Å; V72-E75 PolarHBondContact O-N 3.23Å; V72-A76 WeakPolarHBondContact O-CB 3.45Å; V72-A76 PolarHBondContact O-N 3.43Å
73I92.1Very high89.3Confident53 Ų5381.5 Ų81.527%0.27241%0.413SS..Hα-helixtrans-62.2-45.7176.6-71.4171.6000111.1F69 V70 Q71 A76 W77 P83F69-I73 HydrophobicContact CD1-CD1 3.86Å; F69-I73 HydrophobicContact CE1-CD1 3.37Å; F69-I73 HydrophobicContact CE1-CG1 4.39Å; F69-I73 HydrophobicContact CE2-CD1 4.2Å; F69-I73 HydrophobicContact CE2-CG1 4.42Å; F69-I73 HydrophobicContact CG-CD1 4.47Å; F69-I73 HydrophobicContact CZ-CD1 3.57Å; F69-I73 HydrophobicContact CZ-CG1 4.23Å; F69-I73 PolarHBondContact O-N 2.8Å; V70-I73 PolarHBondContact O-N 2.73Å; Q71-I73 VanDerWaalsContact C-N 3.34Å; Q71-I73 PolarHBondContact O-N 3.16Å; I73-A76 PolarHBondContact O-N 3.24Å; I73-W77 WeakPolarHBondContact O-CB 3.02Å; I73-W77 PolarHBondContact O-N 2.82Å; I73-P83 HydrophobicContact CG2-CB 3.81Å; I73-P83 HydrophobicContact CG2-CG 3.79Å
74M90.8Very high88.7Confident107 Ų10785.6 Ų85.653%0.52743%0.428SS..Hα-helixtrans-64.5-40.5179.9-71.3-61.6-62.800111.4V70 Q71 W77 V78V70-M74 HydrophobicContact CG1-CG 4.16Å; V70-M74 WeakPolarHBondContact O-CB 3.38Å; V70-M74 VanDerWaalsContact O-CG 3.25Å; V70-M74 WeakPolarHBondContact O-CG 3.29Å; V70-M74 PolarHBondContact O-N 2.82Å; Q71-M74 PolarHBondContact O-N 3.39Å; M74-W77 PolarHBondContact O-N 3.11Å; M74-V78 WeakPolarHBondContact O-CG2 3.42Å; M74-V78 PolarHBondContact O-N 2.72Å
75E90.2Very high87.6Confident110 Ų11078.7 Ų78.751%0.51441%0.411SS..Hα-helixtrans-64.1-42.6175.5-170.4-175.3166.700111.5Q71 V72 V78 K79Q71-E75 WeakPolarHBondContact O-CB 3.5Å; Q71-E75 PolarHBondContact O-N 2.8Å; V72-E75 PolarHBondContact O-N 3.23Å; E75-V78 PolarHBondContact O-N 3.07Å; E75-K79 WeakPolarHBondContact O-CG 3.37Å; E75-K79 PolarHBondContact O-N 3.15Å; E75-K79 VanDerWaalsContact O-N 3.12Å; E75-K79 WeakPolarHBondContact OE1-CE 3.48Å; E75-K79 IonicContact OE1-NZ 2.65Å; E75-K79 PolarHBondContact OE1-NZ 3.35Å
76A87.9Confident86.5Confident31 Ų3181.8 Ų81.826%0.25642%0.421SS..Hα-helixtrans-61.4-43.8174.600000111.5V72 I73 K79 G80 V81V72-A76 WeakPolarHBondContact O-CB 3.45Å; V72-A76 PolarHBondContact O-N 3.43Å; I73-A76 PolarHBondContact O-N 3.24Å; A76-K79 CarbonylContact O-C 3.54Å; A76-K79 PolarHBondContact O-N 3.05Å; A76-G80 PolarHBondContact O-N 3.29Å; A76-V81 CarbonylContact C-O 3.59Å; A76-V81 HydrophobicContact CB-CB 4.17Å; A76-V81 WeakPolarHBondContact O-CA 3.32Å; A76-V81 WeakPolarHBondContact O-CB 3.33Å; A76-V81 PolarHBondContact O-N 3.47Å
77W86.4Confident85.2Confident144 Ų14486.9 Ų86.955%0.54546%0.458SS..Hα-helixtrans-60.5-46.2176.9-178.4-94.1000112.5I73 M74 K79 G80 V81 N82 P83I73-W77 WeakPolarHBondContact O-CB 3.02Å; I73-W77 PolarHBondContact O-N 2.82Å; M74-W77 PolarHBondContact O-N 3.11Å; W77-K79 PolarHBondContact O-N 3.11Å; W77-G80 WeakPolarHBondContact O-CA 3.41Å; W77-G80 PolarHBondContact O-N 3.42Å; W77-V81 WeakPolarHBondContact CA-O 3.33Å; W77-N82 HydrophobicContact CZ3-CB 4.33Å; W77-P83 HydrophobicContact CE3-CG 4.38Å
78V84.8Confident84.1Confident112 Ų11289.8 Ų89.868%0.67948%0.48SS*.Hα-helixtrans-62-31.8177.4171.10000111.6M74 E75 G80M74-V78 WeakPolarHBondContact O-CG2 3.42Å; M74-V78 PolarHBondContact O-N 2.72Å; E75-V78 PolarHBondContact O-N 3.07Å; V78-G80 PolarHBondContact O-N 3.13Å
79K83.9Confident82.9Confident104 Ų10489.1 Ų89.145%0.45248%0.479SS..THydrogen-bonded Turntrans-79.35.4172.4-67.5177.5-172.5169.70113.6E75 A76 W77E75-K79 WeakPolarHBondContact O-CG 3.37Å; E75-K79 PolarHBondContact O-N 3.15Å; E75-K79 VanDerWaalsContact O-N 3.12Å; E75-K79 WeakPolarHBondContact OE1-CE 3.48Å; E75-K79 IonicContact OE1-NZ 2.65Å; E75-K79 PolarHBondContact OE1-NZ 3.35Å; A76-K79 CarbonylContact O-C 3.54Å; A76-K79 PolarHBondContact O-N 3.05Å; W77-K79 PolarHBondContact O-N 3.11Å
80G80.5Confident82Confident11 Ų1188.1 Ų88.111%0.11349%0.485CS..THydrogen-bonded Turntrans79.123.4178.800000113.8A76 W77 V78 N92A76-G80 PolarHBondContact O-N 3.29Å; W77-G80 WeakPolarHBondContact O-CA 3.41Å; W77-G80 PolarHBondContact O-N 3.42Å; V78-G80 PolarHBondContact O-N 3.13Å; G80-N92 PolarHBondContact O-ND2 3.15Å
81V84.4Confident81.5Confident83 Ų8389 Ų8950%0.50349%0.494SS..  trans-100119174.4-1780000109.2A76 W77 P83A76-V81 CarbonylContact C-O 3.59Å; A76-V81 HydrophobicContact CB-CB 4.17Å; A76-V81 WeakPolarHBondContact O-CA 3.32Å; A76-V81 WeakPolarHBondContact O-CB 3.33Å; A76-V81 PolarHBondContact O-N 3.47Å; W77-V81 WeakPolarHBondContact CA-O 3.33Å; V81-P83 WeakPolarHBondContact O-CD 3.47Å
82N82.2Confident81Confident39 Ų3985.9 Ų85.921%0.20948%0.48CS..  trans-80.7117.1179.6-168.8-37.4000110.7W77 K84 G85 P224W77-N82 HydrophobicContact CZ3-CB 4.33Å; N82-K84 VanDerWaalsContact C-N 3.25Å; N82-K84 PolarHBondContact O-N 2.9Å; N82-K84 WeakPolarHBondContact OD1-CB 3.16Å; N82-K84 PolarHBondContact OD1-N 3.45Å; N82-G85 PolarHBondContact O-N 3.42Å; N82-P224 HydrophobicContact CB-CG 4.38Å; N82-P224 WeakPolarHBondContact ND2-CD 3.23Å; N82-P224 WeakPolarHBondContact ND2-CG 3.42Å
83P82.9Confident80.9Confident68 Ų6886.7 Ų86.744%0.44247%0.474SS..THydrogen-bonded Turntrans-71.7-16.5-175.531.2-37.9000113.6I73 W77 V81I73-P83 HydrophobicContact CG2-CB 3.81Å; I73-P83 HydrophobicContact CG2-CG 3.79Å; W77-P83 HydrophobicContact CE3-CG 4.38Å; V81-P83 WeakPolarHBondContact O-CD 3.47Å
84K79.6Confident80.8Confident194 Ų19486.7 Ų86.784%0.84347%0.474SS*.THydrogen-bonded Turntrans-77.6-14.9171.5-65.2-175.5177.1-179.80112.2N82 P224N82-K84 VanDerWaalsContact C-N 3.25Å; N82-K84 PolarHBondContact O-N 2.9Å; N82-K84 WeakPolarHBondContact OD1-CB 3.16Å; N82-K84 PolarHBondContact OD1-N 3.45Å; K84-P224 HydrophobicContact CB-CG 4.36Å
85G68.4Low80.8Confident27 Ų2789.5 Ų89.528%0.27848%0.484SS..SBendtrans-79.3148.2-176.800000113.6N82 N89N82-G85 PolarHBondContact O-N 3.42Å; G85-N89 WeakPolarHBondContact CA-ND2 3.28Å
86N70.4Confident80.8Confident110 Ų11084.4 Ų84.459%0.58846%0.461SS*.  trans-88.4161.5169.3-164.18.7000110.3T88 N89N86-T88 PolarHBondContact O-N 2.88Å; N86-N89 PolarHBondContact N-ND2 3.48Å; N86-N89 WeakPolarHBondContact O-CB 3.23Å; N86-N89 PolarHBondContact O-N 3.29Å
87S65.6Low80.9Confident123 Ų12383.3 Ų83.386%0.8645%0.451SS*.THydrogen-bonded Turntrans-58.2-14179.8-44.50000114.4
88T69.1Low81.2Confident118 Ų11878.3 Ų78.372%0.72444%0.438SS*.THydrogen-bonded Turntrans-86.3-4.6177.752.90000113.8N86N86-T88 PolarHBondContact O-N 2.88Å
89N70.9Confident81.7Confident56 Ų5676.7 Ų76.730%0.29942%0.422SS..SBendtrans-67.6148-178.2-76.2-10.9000112.2G85 N86 P224G85-N89 WeakPolarHBondContact CA-ND2 3.28Å; N86-N89 PolarHBondContact N-ND2 3.48Å; N86-N89 WeakPolarHBondContact O-CB 3.23Å; N86-N89 PolarHBondContact O-N 3.29Å; N89-P224 WeakPolarHBondContact ND2-CB 3.29Å
90P72.4Confident82.2Confident106 Ų10672.3 Ų72.369%0.68840%0.403SS*.PPolyproline II helixtrans-60.8144.1178.624.7-32.4000110.9
91S82.4Confident82.9Confident74 Ų7473.6 Ų73.652%0.51741%0.406SS..PPolyproline II helixtrans-61.2136.5177.5178.20000110.9W93 D94S91-W93 PolarHBondContact O-N 2.88Å; S91-W93 PolarHBondContact OG-N 3.33Å; S91-W93 VanDerWaalsContact OG-N 3.1Å; S91-D94 PolarHBondContact O-N 2.87Å
92N83.3Confident83.5Confident45 Ų4570.8 Ų70.824%0.24139%0.391CS..THydrogen-bonded Turntrans-69-9.9171.3-72.4-46.7000113.6G80 S97 L114G80-N92 PolarHBondContact O-ND2 3.15Å; N92-S97 WeakPolarHBondContact O-CB 3.45Å; N92-L114 HydrophobicContact CB-CD1 3.87Å; N92-L114 HydrophobicContact CB-CD2 4.05Å; N92-L114 HydrophobicContact CB-CG 4.49Å; N92-L114 WeakPolarHBondContact O-CD2 3.24Å
93W90.3Very high84.1Confident106 Ų10669.7 Ų69.740%0.40239%0.389SS..THydrogen-bonded Turntrans-115.230.9176-65.8103.5000112.1S91 S98 F101 L114S91-W93 PolarHBondContact O-N 2.88Å; S91-W93 PolarHBondContact OG-N 3.33Å; S91-W93 VanDerWaalsContact OG-N 3.1Å; W93-S98 PolarHBondContact O-OG 2.96Å; W93-F101 AromaticContact CH2-CD1 3.9Å; W93-F101 HydrophobicContact CH2-CD1 3.9Å; W93-F101 HydrophobicContact CH2-CD2 4.1Å; W93-F101 AromaticContact CH2-CE1 3.98Å; W93-F101 HydrophobicContact CH2-CE1 3.98Å; W93-F101 HydrophobicContact CH2-CE2 4.18Å; W93-F101 AromaticContact CH2-CG 3.98Å; W93-F101 HydrophobicContact CH2-CG 3.98Å; W93-F101 HydrophobicContact CH2-CZ 4.14Å; W93-F101 HydrophobicContact CZ3-CB 4.34Å; W93-F101 AromaticContact CZ3-CD1 3.69Å; W93-F101 HydrophobicContact CZ3-CD1 3.69Å; W93-F101 HydrophobicContact CZ3-CD2 4.46Å; W93-F101 HydrophobicContact CZ3-CE1 4.13Å; W93-F101 AromaticContact CZ3-CG 3.89Å; W93-F101 HydrophobicContact CZ3-CG 3.89Å; W93-L114 HydrophobicContact CD2-CD2 4.02Å; W93-L114 HydrophobicContact CE3-CD2 4.38Å; W93-L114 HydrophobicContact CH2-CD2 4.11Å; W93-L114 HydrophobicContact CZ2-CD2 3.71Å; W93-L114 HydrophobicContact CZ2-CG 4.3Å; W93-L114 HydrophobicContact CZ3-CD2 4.43Å
94D89.5Confident84.7Confident52 Ų5266.8 Ų66.828%0.27837%0.37SS..SBendtrans-66.5170.4163.281.7-35.9000110.8S91 G96 S97 S98S91-D94 PolarHBondContact O-N 2.87Å; D94-G96 PolarHBondContact O-N 3.27Å; D94-S97 PolarHBondContact O-N 2.86Å; D94-S97 WeakPolarHBondContact OD1-CB 3.32Å; D94-S97 PolarHBondContact OD1-N 2.92Å; D94-S97 PolarHBondContact OD1-OG 3.48Å; D94-S98 VanDerWaalsContact O-CB 3.27Å; D94-S98 WeakPolarHBondContact O-CB 3.36Å; D94-S98 PolarHBondContact O-N 3.47Å; D94-S98 PolarHBondContact O-OG 3.22Å
95F90.6Very high85.5Confident167 Ų16758.6 Ų58.673%0.73234%0.336SS*.Hα-helixtrans-61.4-42.6-173.9-178.1-95000112.8S97 S98 F99F95-S97 PolarHBondContact O-N 3.45Å; F95-S98 PolarHBondContact O-N 3.17Å; F95-F99 WeakPolarHBondContact O-CB 3.08Å; F95-F99 PolarHBondContact O-N 3.31Å
96G90.3Very high86.8Confident3 Ų358.2 Ų58.23%0.03133%0.329CS..Hα-helixtrans-63.9-42.2-179.500000112.4D94 F100 S234D94-G96 PolarHBondContact O-N 3.27Å; G96-F100 WeakPolarHBondContact O-CB 3.26Å; G96-F100 PolarHBondContact O-N 2.96Å; G96-S234 WeakPolarHBondContact CA-OG 3.38Å
97S90.6Very high87.9Confident7 Ų753.1 Ų53.15%0.04930%0.301CS..Hα-helixtrans-69.2-39175.1-55.10000112.8N92 D94 F95 F100 F101 R233N92-S97 WeakPolarHBondContact O-CB 3.45Å; D94-S97 PolarHBondContact O-N 2.86Å; D94-S97 WeakPolarHBondContact OD1-CB 3.32Å; D94-S97 PolarHBondContact OD1-N 2.92Å; D94-S97 PolarHBondContact OD1-OG 3.48Å; F95-S97 PolarHBondContact O-N 3.45Å; S97-F100 PolarHBondContact O-N 2.97Å; S97-F101 WeakPolarHBondContact O-CB 3.27Å; S97-F101 PolarHBondContact O-N 3.4Å; S97-R233 VanDerWaalsContact OG-CD 3.26Å; S97-R233 WeakPolarHBondContact OG-CD 3.49Å; S97-R233 PolarHBondContact OG-NH1 3.33Å
98S93.9Very high89.4Confident39 Ų3950.8 Ų50.827%0.27328%0.282SS..Hα-helixtrans-66.2-38.8177.3-58.80000111.6W93 D94 F95 F101 A102W93-S98 PolarHBondContact O-OG 2.96Å; D94-S98 VanDerWaalsContact O-CB 3.27Å; D94-S98 WeakPolarHBondContact O-CB 3.36Å; D94-S98 PolarHBondContact O-N 3.47Å; D94-S98 PolarHBondContact O-OG 3.22Å; F95-S98 PolarHBondContact O-N 3.17Å; S98-F101 PolarHBondContact O-N 3.35Å; S98-A102 VanDerWaalsContact O-CB 3.31Å; S98-A102 WeakPolarHBondContact O-CB 3.44Å; S98-A102 PolarHBondContact O-N 3.25Å
99F94.6Very high90.6Very high79 Ų7945.4 Ų45.435%0.34625%0.249SC..Hα-helixtrans-65.5-42.7173.7-179.6-104000111.6F95 A102 G103 A237 I238F95-F99 WeakPolarHBondContact O-CB 3.08Å; F95-F99 PolarHBondContact O-N 3.31Å; F99-A102 PolarHBondContact O-N 3.45Å; F99-G103 PolarHBondContact O-N 2.9Å; F99-A237 HydrophobicContact CD1-CB 3.87Å; F99-A237 HydrophobicContact CE1-CB 3.72Å; F99-I238 HydrophobicContact CE1-CG1 4.47Å
100F94.7Very high91.7Very high12 Ų1245 Ų455%0.05326%0.257CS..Hα-helixtrans-60.4-47.4173.7-177-99.1000111.7G96 S97 A102 G103 T104 Y111 V219 V220 R233 A236 A237 I240G96-F100 WeakPolarHBondContact O-CB 3.26Å; G96-F100 PolarHBondContact O-N 2.96Å; S97-F100 PolarHBondContact O-N 2.97Å; F100-A102 PolarHBondContact O-N 2.93Å; F100-G103 PolarHBondContact O-N 3.29Å; F100-T104 HydrophobicContact CD1-CG2 4.29Å; F100-T104 HydrophobicContact CE1-CG2 4.05Å; F100-T104 HydrophobicContact CZ-CG2 4.34Å; F100-T104 WeakPolarHBondContact O-CG2 3.43Å; F100-T104 PolarHBondContact O-N 2.87Å; F100-Y111 AromaticContact CE1-CD2 3.98Å; F100-Y111 HydrophobicContact CE1-CD2 3.98Å; F100-Y111 AromaticContact CE1-CE2 3.7Å; F100-Y111 HydrophobicContact CE1-CE2 3.7Å; F100-Y111 HydrophobicContact CZ-CD2 4.25Å; F100-Y111 AromaticContact CZ-CE2 3.49Å; F100-Y111 HydrophobicContact CZ-CE2 3.49Å; F100-Y111 VanDerWaalsContact CZ-CE2 3.49Å; F100-V219 HydrophobicContact CE1-CG1 3.87Å; F100-V219 HydrophobicContact CZ-CG1 4.29Å; F100-V220 HydrophobicContact CE2-CG2 3.97Å; F100-V220 HydrophobicContact CZ-CG2 3.92Å; F100-R233 HydrophobicContact CB-CB 4.16Å; F100-R233 VanDerWaalsContact CD2-O 3.31Å; F100-R233 WeakPolarHBondContact CD2-O 3.03Å; F100-R233 HydrophobicContact CG-CB 4.48Å; F100-A236 HydrophobicContact CD2-CB 4.29Å; F100-A236 HydrophobicContact CE2-CB 3.94Å; F100-A237 HydrophobicContact CB-CB 4.48Å; F100-A237 HydrophobicContact CD2-CB 3.95Å; F100-I240 HydrophobicContact CE2-CD1 3.77Å; F100-I240 HydrophobicContact CZ-CD1 4.26Å
101F95.1Very high92.7Very high38 Ų3840.4 Ų40.417%0.16723%0.226CC..Hα-helixtrans-59.4-45.5174.7173.9-94.3000112.4W93 S97 S98 G103 T104 V105 L114W93-F101 AromaticContact CH2-CD1 3.9Å; W93-F101 HydrophobicContact CH2-CD1 3.9Å; W93-F101 HydrophobicContact CH2-CD2 4.1Å; W93-F101 AromaticContact CH2-CE1 3.98Å; W93-F101 HydrophobicContact CH2-CE1 3.98Å; W93-F101 HydrophobicContact CH2-CE2 4.18Å; W93-F101 AromaticContact CH2-CG 3.98Å; W93-F101 HydrophobicContact CH2-CG 3.98Å; W93-F101 HydrophobicContact CH2-CZ 4.14Å; W93-F101 HydrophobicContact CZ3-CB 4.34Å; W93-F101 AromaticContact CZ3-CD1 3.69Å; W93-F101 HydrophobicContact CZ3-CD1 3.69Å; W93-F101 HydrophobicContact CZ3-CD2 4.46Å; W93-F101 HydrophobicContact CZ3-CE1 4.13Å; W93-F101 AromaticContact CZ3-CG 3.89Å; W93-F101 HydrophobicContact CZ3-CG 3.89Å; S97-F101 WeakPolarHBondContact O-CB 3.27Å; S97-F101 PolarHBondContact O-N 3.4Å; S98-F101 PolarHBondContact O-N 3.35Å; F101-G103 VanDerWaalsContact C-N 3.28Å; F101-G103 PolarHBondContact O-N 3.29Å; F101-T104 PolarHBondContact O-N 3.22Å; F101-T104 VanDerWaalsContact O-N 3.15Å; F101-T104 PolarHBondContact O-OG1 3.4Å; F101-V105 HydrophobicContact CD1-CG2 4.33Å; F101-V105 HydrophobicContact CE1-CG2 3.78Å; F101-V105 HydrophobicContact CE2-CG2 4.13Å; F101-V105 HydrophobicContact CZ-CG2 3.65Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.24Å; F101-L114 HydrophobicContact CD2-CB 4.45Å; F101-L114 WeakPolarHBondContact CE2-O 3.26Å
102A96.1Very high92.9Very high23 Ų2339.8 Ų39.819%0.1923%0.232CC..Hα-helixtrans-59.7-42176.900000111.3S98 F99 F100 V105 V106 Y128S98-A102 VanDerWaalsContact O-CB 3.31Å; S98-A102 WeakPolarHBondContact O-CB 3.44Å; S98-A102 PolarHBondContact O-N 3.25Å; F99-A102 PolarHBondContact O-N 3.45Å; F100-A102 PolarHBondContact O-N 2.93Å; A102-V105 PolarHBondContact O-N 3.4Å; A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.48Å; A102-V106 VanDerWaalsContact O-N 3.13Å; A102-Y128 HydrophobicContact CB-CE1 4.08Å
103G94.8Very high93Very high17 Ų1740.3 Ų40.318%0.17524%0.235CC..Hα-helixtrans-58.8-45.6172.800000112.9F99 F100 F101 V105 V106 T107F99-G103 PolarHBondContact O-N 2.9Å; F100-G103 PolarHBondContact O-N 3.29Å; F101-G103 VanDerWaalsContact C-N 3.28Å; F101-G103 PolarHBondContact O-N 3.29Å; G103-V105 VanDerWaalsContact C-N 3.34Å; G103-V105 PolarHBondContact O-N 3.33Å; G103-V106 PolarHBondContact O-N 3.06Å; G103-T107 VanDerWaalsContact O-CB 3.32Å; G103-T107 WeakPolarHBondContact O-CB 3.31Å; G103-T107 VanDerWaalsContact O-CG2 3.27Å; G103-T107 WeakPolarHBondContact O-CG2 3.39Å; G103-T107 PolarHBondContact O-N 2.87Å; G103-T107 PolarHBondContact O-OG1 3.03Å
104T95.6Very high92.9Very high7 Ų736.1 Ų36.14%0.04322%0.22CC..Hα-helixtrans-67.5-32-17962.40000113F100 F101 T107 T108 I109 G110 Y111F100-T104 HydrophobicContact CD1-CG2 4.29Å; F100-T104 HydrophobicContact CE1-CG2 4.05Å; F100-T104 HydrophobicContact CZ-CG2 4.34Å; F100-T104 WeakPolarHBondContact O-CG2 3.43Å; F100-T104 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-N 3.22Å; F101-T104 VanDerWaalsContact O-N 3.15Å; F101-T104 PolarHBondContact O-OG1 3.4Å; T104-T107 WeakPolarHBondContact CA-OG1 3.23Å; T104-T107 PolarHBondContact O-OG1 3.23Å; T104-T108 PolarHBondContact O-N 3.42Å; T104-I109 PolarHBondContact O-N 3.15Å; T104-G110 PolarHBondContact O-N 3.2Å; T104-Y111 HydrophobicContact CG2-CD2 3.63Å; T104-Y111 HydrophobicContact CG2-CE2 3.52Å
105V96.6Very high93Very high21 Ų2136 Ų3613%0.12723%0.226CC..Hα-helixtrans-66.5-50.6173.3173.30000110.8F101 A102 G103 T107 T108 Y128 A129F101-V105 HydrophobicContact CD1-CG2 4.33Å; F101-V105 HydrophobicContact CE1-CG2 3.78Å; F101-V105 HydrophobicContact CE2-CG2 4.13Å; F101-V105 HydrophobicContact CZ-CG2 3.65Å; F101-V105 WeakPolarHBondContact O-CG2 3.45Å; F101-V105 PolarHBondContact O-N 3.24Å; A102-V105 PolarHBondContact O-N 3.4Å; G103-V105 VanDerWaalsContact C-N 3.34Å; G103-V105 PolarHBondContact O-N 3.33Å; V105-T107 VanDerWaalsContact C-N 3.32Å; V105-T107 PolarHBondContact O-N 3.41Å; V105-T108 PolarHBondContact O-N 2.89Å; V105-Y128 HydrophobicContact CB-CD1 4.39Å; V105-Y128 HydrophobicContact CB-CE1 4.29Å; V105-Y128 HydrophobicContact CG1-CD1 3.9Å; V105-Y128 HydrophobicContact CG1-CE1 4.23Å; V105-A129 HydrophobicContact CG1-CB 3.76Å
106V95.9Very high93.1Very high20 Ų2029.2 Ų29.212%0.12120%0.199CC..Hα-helixtrans-67.8-33.4-176.9170.30000112.5A102 G103 T108 Y128 G132 N136A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.48Å; A102-V106 VanDerWaalsContact O-N 3.13Å; G103-V106 PolarHBondContact O-N 3.06Å; V106-T108 VanDerWaalsContact C-N 3.28Å; V106-Y128 HydrophobicContact CG2-CD1 4.38Å; V106-Y128 HydrophobicContact CG2-CE1 3.48Å; V106-Y128 VanDerWaalsContact CG2-CE1 3.48Å; V106-Y128 HydrophobicContact CG2-CE2 4.49Å; V106-Y128 WeakPolarHBondContact CG2-OH 3.27Å; V106-G132 WeakPolarHBondContact CG1-O 3.44Å; V106-N136 HydrophobicContact CG1-CB 3.58Å; V106-N136 PolarHBondContact O-ND2 3.16Å
107T94.4Very high93.2Very high2 Ų232.2 Ų32.21%0.01222%0.22CC..THydrogen-bonded Turntrans-84.1-1.4177550000113.6G103 T104 V105 I109 I240 L241 L244G103-T107 VanDerWaalsContact O-CB 3.32Å; G103-T107 WeakPolarHBondContact O-CB 3.31Å; G103-T107 VanDerWaalsContact O-CG2 3.27Å; G103-T107 WeakPolarHBondContact O-CG2 3.39Å; G103-T107 PolarHBondContact O-N 2.87Å; G103-T107 PolarHBondContact O-OG1 3.03Å; T104-T107 WeakPolarHBondContact CA-OG1 3.23Å; T104-T107 PolarHBondContact O-OG1 3.23Å; V105-T107 VanDerWaalsContact C-N 3.32Å; V105-T107 PolarHBondContact O-N 3.41Å; T107-I109 PolarHBondContact O-N 2.98Å; T107-I109 VanDerWaalsContact OG1-CD1 3.28Å; T107-I109 WeakPolarHBondContact OG1-CD1 3.46Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.48Å; T107-I240 HydrophobicContact CG2-CG2 4.36Å; T107-L241 HydrophobicContact CG2-CD2 3.74Å; T107-L244 VanDerWaalsContact CB-CD1 3.49Å; T107-L244 HydrophobicContact CG2-CD1 3.45Å; T107-L244 VanDerWaalsContact CG2-CD1 3.45Å
108T95.5Very high93.4Very high74 Ų7436.1 Ų36.145%0.45424%0.243SC..THydrogen-bonded Turntrans60.420.3-178.4660000114.8T104 V105 V106 I133T104-T108 PolarHBondContact O-N 3.42Å; V105-T108 PolarHBondContact O-N 2.89Å; V106-T108 VanDerWaalsContact C-N 3.28Å; T108-I133 HydrophobicContact CG2-CB 4.4Å; T108-I133 HydrophobicContact CG2-CD1 3.66Å; T108-I133 HydrophobicContact CG2-CG1 3.65Å; T108-I133 HydrophobicContact CG2-CG2 3.87Å
109I96.1Very high93.5Very high6 Ų641.1 Ų41.13%0.03126%0.262CS..  trans-74.2-51.2176.6-61170.2000110.1T104 T107 Y111 T209 T212 I240 L244T104-I109 PolarHBondContact O-N 3.15Å; T107-I109 PolarHBondContact O-N 2.98Å; T107-I109 VanDerWaalsContact OG1-CD1 3.28Å; T107-I109 WeakPolarHBondContact OG1-CD1 3.46Å; T107-I109 WeakPolarHBondContact OG1-CG1 3.48Å; I109-Y111 HydrophobicContact CG2-CD1 3.99Å; I109-Y111 HydrophobicContact CG2-CD2 4.33Å; I109-Y111 HydrophobicContact CG2-CE1 3.72Å; I109-Y111 HydrophobicContact CG2-CE2 4.05Å; I109-Y111 HydrophobicContact CG2-CG 4.3Å; I109-Y111 PolarHBondContact O-N 2.89Å; I109-T209 HydrophobicContact CD1-CG2 4.08Å; I109-T212 HydrophobicContact CG1-CG2 4.09Å; I109-I240 HydrophobicContact CD1-CD1 4.28Å; I109-I240 HydrophobicContact CD1-CG2 3.36Å; I109-L244 HydrophobicContact CD1-CD1 4.35Å
110G93.8Very high93.6Very high46 Ų4641 Ų4147%0.47428%0.276SS..  trans5060173.100000116.2T104 G112T104-G110 PolarHBondContact O-N 3.2Å; G110-G112 PolarHBondContact O-N 3.23Å
111Y92.8Very high93.7Very high10 Ų1041.3 Ų41.34%0.03928%0.283CS..  trans-49.6-25.7-178.4-65.5-64.2000116.2F100 T104 I109 N113 F205 T209 G214 G216 V219F100-Y111 AromaticContact CE1-CD2 3.98Å; F100-Y111 HydrophobicContact CE1-CD2 3.98Å; F100-Y111 AromaticContact CE1-CE2 3.7Å; F100-Y111 HydrophobicContact CE1-CE2 3.7Å; F100-Y111 HydrophobicContact CZ-CD2 4.25Å; F100-Y111 AromaticContact CZ-CE2 3.49Å; F100-Y111 HydrophobicContact CZ-CE2 3.49Å; F100-Y111 VanDerWaalsContact CZ-CE2 3.49Å; T104-Y111 HydrophobicContact CG2-CD2 3.63Å; T104-Y111 HydrophobicContact CG2-CE2 3.52Å; I109-Y111 HydrophobicContact CG2-CD1 3.99Å; I109-Y111 HydrophobicContact CG2-CD2 4.33Å; I109-Y111 HydrophobicContact CG2-CE1 3.72Å; I109-Y111 HydrophobicContact CG2-CE2 4.05Å; I109-Y111 HydrophobicContact CG2-CG 4.3Å; I109-Y111 PolarHBondContact O-N 2.89Å; Y111-N113 VanDerWaalsContact CB-OD1 3.27Å; Y111-N113 WeakPolarHBondContact CB-OD1 3.13Å; Y111-N113 PolarHBondContact O-N 3.22Å; Y111-N113 VanDerWaalsContact O-N 3.07Å; Y111-F205 AromaticContact CE1-CE2 3.95Å; Y111-F205 HydrophobicContact CE1-CE2 3.95Å; Y111-F205 AromaticContact CZ-CE2 3.86Å; Y111-F205 WeakPolarHBondContact OH-CE2 3.47Å; Y111-F205 WeakPolarHBondContact OH-CZ 3.47Å; Y111-T209 WeakPolarHBondContact OH-CB 3.44Å; Y111-T209 WeakPolarHBondContact OH-CG2 3.47Å; Y111-T209 PolarHBondContact OH-OG1 3.14Å; Y111-G214 WeakPolarHBondContact CA-O 3.35Å; Y111-G216 VanDerWaalsContact O-CA 3.31Å; Y111-G216 WeakPolarHBondContact O-CA 3.36Å; Y111-V219 HydrophobicContact CD1-CG2 4.08Å; Y111-V219 HydrophobicContact CD2-CG1 4.34Å; Y111-V219 HydrophobicContact CD2-CG2 4.28Å; Y111-V219 HydrophobicContact CG-CG2 3.88Å
112G87.2Confident93.8Very high62 Ų6243.7 Ų43.764%0.63929%0.294SS*.SBendtrans74.7-4.617700000115.4G110 L114G110-G112 PolarHBondContact O-N 3.23Å; G112-L114 PolarHBondContact O-N 3.02Å
113N85.2Confident93.9Very high55 Ų5546.5 Ų46.529%0.29431%0.309SS..SBendtrans-70.1-21.3172.671.2-52.8000112.9Y111 V219Y111-N113 VanDerWaalsContact CB-OD1 3.27Å; Y111-N113 WeakPolarHBondContact CB-OD1 3.13Å; Y111-N113 PolarHBondContact O-N 3.22Å; Y111-N113 VanDerWaalsContact O-N 3.07Å; N113-V219 HydrophobicContact CB-CG2 4.27Å
114L87.9Confident94Very high19 Ų1952.2 Ų52.210%0.09933%0.329CS..SBendtrans-133.8135.2172.6-121.587.8000109.6N92 W93 F101 G112N92-L114 HydrophobicContact CB-CD1 3.87Å; N92-L114 HydrophobicContact CB-CD2 4.05Å; N92-L114 HydrophobicContact CB-CG 4.49Å; N92-L114 WeakPolarHBondContact O-CD2 3.24Å; W93-L114 HydrophobicContact CD2-CD2 4.02Å; W93-L114 HydrophobicContact CE3-CD2 4.38Å; W93-L114 HydrophobicContact CH2-CD2 4.11Å; W93-L114 HydrophobicContact CZ2-CD2 3.71Å; W93-L114 HydrophobicContact CZ2-CG 4.3Å; W93-L114 HydrophobicContact CZ3-CD2 4.43Å; F101-L114 HydrophobicContact CD2-CB 4.45Å; F101-L114 WeakPolarHBondContact CE2-O 3.26Å; G112-L114 PolarHBondContact O-N 3.02Å
115A91.4Very high94.1Very high48 Ų4853.1 Ų53.140%0.39734%0.336SS..  trans-146148.7175.900000111.3S117A115-S117 PolarHBondContact O-N 3.48Å
116P93.4Very high94.2Very high26 Ų2656.8 Ų56.817%0.16936%0.358CS..  trans-63.4120.517626-33.1000110Q122 C125P116-Q122 HydrophobicContact CB-CG 4.26Å; P116-Q122 HydrophobicContact CG-CG 4.08Å; P116-Q122 VanDerWaalsContact O-CG 3.25Å; P116-Q122 WeakPolarHBondContact O-CG 3.47Å; P116-Q122 PolarHBondContact O-NE2 3.44Å; P116-Q122 VanDerWaalsContact O-NE2 3.15Å; P116-C125 HydrophobicContact CG-CB 4.11Å
117S91.3Very high94.3Very high66 Ų6661.9 Ų61.946%0.46238%0.379SS..  trans-93.2-11179.3-590000113.3A115A115-S117 PolarHBondContact O-N 3.48Å
118T94.3Very high94.5Very high89 Ų8965.7 Ų65.755%0.54639%0.393SS..SBendtrans-93.1143.3178.660.50000110.7A120 G121 Q122T118-A120 VanDerWaalsContact C-N 3.28Å; T118-A120 PolarHBondContact O-N 3.42Å; T118-G121 PolarHBondContact O-N 3.03Å; T118-G121 WeakPolarHBondContact OG1-CA 3.21Å; T118-G121 PolarHBondContact OG1-N 2.86Å; T118-G121 VanDerWaalsContact OG1-N 3.1Å; T118-Q122 WeakPolarHBondContact O-CG 3.5Å; T118-Q122 PolarHBondContact O-N 3.36Å
119E96.1Very high94.6Very high143 Ų14363.1 Ų63.167%0.66838%0.38SS*.Hα-helixtrans-52.4-47.4175.1-61.2-57.7138.400111.7G121 Q122 V123E119-G121 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.23Å; E119-Q122 PolarHBondContact O-N 3.22Å; E119-V123 WeakPolarHBondContact O-CG2 3.34Å; E119-V123 PolarHBondContact O-N 3.11Å
120A97.3Very high94.6Very high77 Ų7768.5 Ų68.564%0.63641%0.408SS*.Hα-helixtrans-62-39.8177.300000112.5T118 F124T118-A120 VanDerWaalsContact C-N 3.28Å; T118-A120 PolarHBondContact O-N 3.42Å; A120-F124 VanDerWaalsContact O-CB 3.25Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 2.64Å
121G96.4Very high94.8Very high19 Ų1972.6 Ų72.620%0.19642%0.418CS..Hα-helixtrans-68-38.1177.900000112.7T118 E119 C125T118-G121 PolarHBondContact O-N 3.03Å; T118-G121 WeakPolarHBondContact OG1-CA 3.21Å; T118-G121 PolarHBondContact OG1-N 2.86Å; T118-G121 VanDerWaalsContact OG1-N 3.1Å; E119-G121 VanDerWaalsContact C-N 3.34Å; E119-G121 PolarHBondContact O-N 3.23Å; G121-C125 VanDerWaalsContact O-CB 3.26Å; G121-C125 WeakPolarHBondContact O-CB 3.42Å; G121-C125 PolarHBondContact O-N 2.95Å
122Q96.9Very high95Very high87 Ų8772.5 Ų72.541%0.40742%0.42SS..Hα-helixtrans-66.2-48.4175.6-70.2177.1-0.100111.2P116 T118 E119 F124 C125 V126P116-Q122 HydrophobicContact CB-CG 4.26Å; P116-Q122 HydrophobicContact CG-CG 4.08Å; P116-Q122 VanDerWaalsContact O-CG 3.25Å; P116-Q122 WeakPolarHBondContact O-CG 3.47Å; P116-Q122 PolarHBondContact O-NE2 3.44Å; P116-Q122 VanDerWaalsContact O-NE2 3.15Å; T118-Q122 WeakPolarHBondContact O-CG 3.5Å; T118-Q122 PolarHBondContact O-N 3.36Å; E119-Q122 PolarHBondContact O-N 3.22Å; Q122-F124 VanDerWaalsContact C-N 3.34Å; Q122-F124 PolarHBondContact O-N 2.91Å; Q122-C125 WeakPolarHBondContact O-CB 3.46Å; Q122-C125 PolarHBondContact O-N 2.87Å; Q122-V126 WeakPolarHBondContact O-CG2 2.96Å; Q122-V126 PolarHBondContact O-N 3.48Å; Q122-V126 VanDerWaalsContact O-N 3.09Å
123V98.1Very high95.4Very high82 Ų8272.5 Ų72.550%0.49741%0.405SS..Hα-helixtrans-59.8-45.6175.9173.60000110.8E119 C125 V126 F127E119-V123 WeakPolarHBondContact O-CG2 3.34Å; E119-V123 PolarHBondContact O-N 3.11Å; V123-C125 VanDerWaalsContact C-N 3.35Å; V123-C125 PolarHBondContact O-N 2.65Å; V123-V126 PolarHBondContact O-N 3.24Å; V123-F127 HydrophobicContact CG1-CD2 4.03Å; V123-F127 HydrophobicContact CG1-CE2 3.7Å; V123-F127 VanDerWaalsContact O-CD2 3.22Å; V123-F127 WeakPolarHBondContact O-CD2 3.37Å; V123-F127 PolarHBondContact O-N 2.92Å
124F98.1Very high95.9Very high137 Ų13773.1 Ų73.160%0.60141%0.412SS*.Hα-helixtrans-59.2-44.6175.1175.3-99.5000112A120 Q122 V126 F127 Y128A120-F124 VanDerWaalsContact O-CB 3.25Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 2.64Å; Q122-F124 VanDerWaalsContact C-N 3.34Å; Q122-F124 PolarHBondContact O-N 2.91Å; F124-V126 VanDerWaalsContact C-N 3.3Å; F124-V126 PolarHBondContact O-N 3.05Å; F124-F127 PolarHBondContact O-N 3.06Å; F124-Y128 HydrophobicContact CE1-CD2 4.46Å; F124-Y128 HydrophobicContact CE1-CG 4.28Å; F124-Y128 HydrophobicContact CZ-CD2 4.23Å; F124-Y128 HydrophobicContact CZ-CG 4.44Å; F124-Y128 VanDerWaalsContact O-CB 3.25Å; F124-Y128 WeakPolarHBondContact O-CB 3.24Å; F124-Y128 PolarHBondContact O-N 2.91Å
125C97.6Very high96.3Very high27 Ų2777.9 Ų77.918%0.18244%0.437CS..Hα-helixtrans-58.7-40179.4-171.20000112.1P116 G121 Q122 V123 Y128 A129P116-C125 HydrophobicContact CG-CB 4.11Å; G121-C125 VanDerWaalsContact O-CB 3.26Å; G121-C125 WeakPolarHBondContact O-CB 3.42Å; G121-C125 PolarHBondContact O-N 2.95Å; Q122-C125 WeakPolarHBondContact O-CB 3.46Å; Q122-C125 PolarHBondContact O-N 2.87Å; V123-C125 VanDerWaalsContact C-N 3.35Å; V123-C125 PolarHBondContact O-N 2.65Å; C125-Y128 PolarHBondContact O-N 2.89Å; C125-A129 VanDerWaalsContact O-CB 3.29Å; C125-A129 WeakPolarHBondContact O-CB 3.47Å; C125-A129 PolarHBondContact O-N 3.05Å
126V97.9Very high96.3Very high97 Ų9776.4 Ų76.459%0.58842%0.422SS*.Hα-helixtrans-59.6-51.5176.1172.80000111.3Q122 V123 F124 A129 L130Q122-V126 WeakPolarHBondContact O-CG2 2.96Å; Q122-V126 PolarHBondContact O-N 3.48Å; Q122-V126 VanDerWaalsContact O-N 3.09Å; V123-V126 PolarHBondContact O-N 3.24Å; F124-V126 VanDerWaalsContact C-N 3.3Å; F124-V126 PolarHBondContact O-N 3.05Å; V126-A129 PolarHBondContact O-N 3.4Å; V126-L130 WeakPolarHBondContact O-CB 3.49Å; V126-L130 PolarHBondContact O-N 2.87Å
127F98.1Very high96.2Very high128 Ų12878.7 Ų78.756%0.56144%0.435SS*.Hα-helixtrans-67.2-37.7179.1-70.2-68.4000112.4V123 F124 L130 L131V123-F127 HydrophobicContact CG1-CD2 4.03Å; V123-F127 HydrophobicContact CG1-CE2 3.7Å; V123-F127 VanDerWaalsContact O-CD2 3.22Å; V123-F127 WeakPolarHBondContact O-CD2 3.37Å; V123-F127 PolarHBondContact O-N 2.92Å; F124-F127 PolarHBondContact O-N 3.06Å; F127-L130 PolarHBondContact O-N 3.15Å; F127-L131 PolarHBondContact O-N 3.47Å
128Y98.2Very high96.2Very high81 Ų8180.8 Ų80.832%0.31844%0.44SS..Hα-helixtrans-62.6-45.5176.6-178.8-107.9000111.7A102 V105 V106 F124 C125 G132A102-Y128 HydrophobicContact CB-CE1 4.08Å; V105-Y128 HydrophobicContact CB-CD1 4.39Å; V105-Y128 HydrophobicContact CB-CE1 4.29Å; V105-Y128 HydrophobicContact CG1-CD1 3.9Å; V105-Y128 HydrophobicContact CG1-CE1 4.23Å; V106-Y128 HydrophobicContact CG2-CD1 4.38Å; V106-Y128 HydrophobicContact CG2-CE1 3.48Å; V106-Y128 VanDerWaalsContact CG2-CE1 3.48Å; V106-Y128 HydrophobicContact CG2-CE2 4.49Å; V106-Y128 WeakPolarHBondContact CG2-OH 3.27Å; F124-Y128 HydrophobicContact CE1-CD2 4.46Å; F124-Y128 HydrophobicContact CE1-CG 4.28Å; F124-Y128 HydrophobicContact CZ-CD2 4.23Å; F124-Y128 HydrophobicContact CZ-CG 4.44Å; F124-Y128 VanDerWaalsContact O-CB 3.25Å; F124-Y128 WeakPolarHBondContact O-CB 3.24Å; F124-Y128 PolarHBondContact O-N 2.91Å; C125-Y128 PolarHBondContact O-N 2.89Å; Y128-G132 WeakPolarHBondContact O-CA 3.17Å; Y128-G132 PolarHBondContact O-N 3.24Å
129A97.6Very high96Very high21 Ų2181.4 Ų81.417%0.17444%0.436CS..Hα-helixtrans-65.8-42.2176.200000112V105 C125 V126 L131 G132 I133V105-A129 HydrophobicContact CG1-CB 3.76Å; C125-A129 VanDerWaalsContact O-CB 3.29Å; C125-A129 WeakPolarHBondContact O-CB 3.47Å; C125-A129 PolarHBondContact O-N 3.05Å; V126-A129 PolarHBondContact O-N 3.4Å; A129-L131 VanDerWaalsContact C-N 3.29Å; A129-L131 PolarHBondContact O-N 2.86Å; A129-G132 PolarHBondContact O-N 3.38Å; A129-I133 HydrophobicContact CB-CD1 4.15Å; A129-I133 WeakPolarHBondContact O-CB 3.42Å; A129-I133 VanDerWaalsContact O-CG1 3.27Å; A129-I133 WeakPolarHBondContact O-CG1 3.28Å; A129-I133 PolarHBondContact O-N 2.83Å
130L97.5Very high95.6Very high119 Ų11975.8 Ų75.862%0.62341%0.41SS*.Hα-helixtrans-57.5-40.2179.8-177.967.2000112.6V126 F127 P134V126-L130 WeakPolarHBondContact O-CB 3.49Å; V126-L130 PolarHBondContact O-N 2.87Å; F127-L130 PolarHBondContact O-N 3.15Å; L130-P134 WeakPolarHBondContact O-CD 3.29Å; L130-P134 VanDerWaalsContact O-CG 3.26Å; L130-P134 WeakPolarHBondContact O-CG 3.48Å
131L97.6Very high95.1Very high132 Ų13277 Ų7769%0.69141%0.406SS*.Hα-helixtrans-87.8-36.9178-62.2177.3000112.4F127 A129 L135F127-L131 PolarHBondContact O-N 3.47Å; A129-L131 VanDerWaalsContact C-N 3.29Å; A129-L131 PolarHBondContact O-N 2.86Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 PolarHBondContact O-N 3.31Å
132G96.8Very high94.7Very high7 Ų782.7 Ų82.77%0.07243%0.427CS..Hα-helixtrans-69.6-44.6-174.900000113.5V106 Y128 A129 L135 N136V106-G132 WeakPolarHBondContact CG1-O 3.44Å; Y128-G132 WeakPolarHBondContact O-CA 3.17Å; Y128-G132 PolarHBondContact O-N 3.24Å; A129-G132 PolarHBondContact O-N 3.38Å; G132-L135 WeakPolarHBondContact O-CB 3.36Å; G132-L135 PolarHBondContact O-N 2.84Å; G132-N136 PolarHBondContact O-N 3.21Å
133I95.9Very high94.1Very high62 Ų6281.7 Ų81.732%0.31842%0.424SS..Hα-helixtrans-61.8-49.7-177.9-62.7166.2000111.2T108 A129 L135 N136 V137T108-I133 HydrophobicContact CG2-CB 4.4Å; T108-I133 HydrophobicContact CG2-CD1 3.66Å; T108-I133 HydrophobicContact CG2-CG1 3.65Å; T108-I133 HydrophobicContact CG2-CG2 3.87Å; A129-I133 HydrophobicContact CB-CD1 4.15Å; A129-I133 WeakPolarHBondContact O-CB 3.42Å; A129-I133 VanDerWaalsContact O-CG1 3.27Å; A129-I133 WeakPolarHBondContact O-CG1 3.28Å; A129-I133 PolarHBondContact O-N 2.83Å; I133-L135 VanDerWaalsContact C-N 3.32Å; I133-L135 PolarHBondContact O-N 3.39Å; I133-N136 WeakPolarHBondContact O-CB 2.95Å; I133-N136 PolarHBondContact O-N 3Å; I133-V137 WeakPolarHBondContact O-CG2 3.36Å; I133-V137 PolarHBondContact O-N 2.84Å
134P96.4Very high93.1Very high69 Ų6978.1 Ų78.145%0.44840%0.404SS..Hα-helixtrans-59.6-40.4173.9-24.735.1000113.2L130 N136 V137 I138L130-P134 WeakPolarHBondContact O-CD 3.29Å; L130-P134 VanDerWaalsContact O-CG 3.26Å; L130-P134 WeakPolarHBondContact O-CG 3.48Å; P134-N136 VanDerWaalsContact C-N 3.33Å; P134-N136 PolarHBondContact O-N 3.36Å; P134-V137 PolarHBondContact O-N 3.45Å; P134-I138 VanDerWaalsContact O-CG1 3.31Å; P134-I138 WeakPolarHBondContact O-CG1 3.22Å; P134-I138 PolarHBondContact O-N 3.35Å
135L94.5Very high92.4Very high118 Ų11875.1 Ų75.162%0.61840%0.397SS*.Hα-helixtrans-60.7-42.8177-179.266.7000111.4L131 G132 I133 I138 F139L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 PolarHBondContact O-N 3.31Å; G132-L135 WeakPolarHBondContact O-CB 3.36Å; G132-L135 PolarHBondContact O-N 2.84Å; I133-L135 VanDerWaalsContact C-N 3.32Å; I133-L135 PolarHBondContact O-N 3.39Å; L135-I138 PolarHBondContact O-N 3.25Å; L135-F139 WeakPolarHBondContact O-CB 3.45Å; L135-F139 PolarHBondContact O-N 3.46Å
136N92.3Very high91.5Very high18 Ų1875.5 Ų75.510%0.09641%0.405CS..Hα-helixtrans-62.1-44.5175.8-170.446000111.5V106 G132 I133 P134 I138 F139 L140V106-N136 HydrophobicContact CG1-CB 3.58Å; V106-N136 PolarHBondContact O-ND2 3.16Å; G132-N136 PolarHBondContact O-N 3.21Å; I133-N136 WeakPolarHBondContact O-CB 2.95Å; I133-N136 PolarHBondContact O-N 3Å; P134-N136 VanDerWaalsContact C-N 3.33Å; P134-N136 PolarHBondContact O-N 3.36Å; N136-I138 VanDerWaalsContact C-N 3.33Å; N136-I138 PolarHBondContact O-N 3.35Å; N136-F139 WeakPolarHBondContact O-CB 3.49Å; N136-F139 PolarHBondContact O-N 3.09Å; N136-L140 WeakPolarHBondContact O-CB 3.4Å; N136-L140 VanDerWaalsContact O-CG 3.23Å; N136-L140 WeakPolarHBondContact O-CG 3.37Å; N136-L140 PolarHBondContact O-N 3.42Å
137V91Very high90.3Very high73 Ų7372.2 Ų72.244%0.44238%0.384SS..Hα-helixtrans-60.9-42.2175.9173.50000111.4I133 P134 L140 N141I133-V137 WeakPolarHBondContact O-CG2 3.36Å; I133-V137 PolarHBondContact O-N 2.84Å; P134-V137 PolarHBondContact O-N 3.45Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-N141 VanDerWaalsContact O-CB 3.28Å; V137-N141 WeakPolarHBondContact O-CB 3.34Å; V137-N141 VanDerWaalsContact O-CG 3.26Å; V137-N141 PolarHBondContact O-N 3.37Å; V137-N141 PolarHBondContact O-ND2 3.47Å
138I91.8Very high89.1Confident110 Ų11072 Ų7256%0.56438%0.38SS*.Hα-helixtrans-62.4-45.4175.9-68.1165.2000110.6P134 L135 N136 N141 H142P134-I138 VanDerWaalsContact O-CG1 3.31Å; P134-I138 WeakPolarHBondContact O-CG1 3.22Å; P134-I138 PolarHBondContact O-N 3.35Å; L135-I138 PolarHBondContact O-N 3.25Å; N136-I138 VanDerWaalsContact C-N 3.33Å; N136-I138 PolarHBondContact O-N 3.35Å; I138-N141 PolarHBondContact O-N 3.13Å; I138-H142 WeakPolarHBondContact O-CB 3.28Å; I138-H142 PolarHBondContact O-N 2.8Å
139F90.1Very high88.1Confident102 Ų10270.6 Ų70.645%0.44739%0.385SS..Hα-helixtrans-59.1-50.9177.1172.5-105.1000111.8L135 N136 N141 H142 L143L135-F139 WeakPolarHBondContact O-CB 3.45Å; L135-F139 PolarHBondContact O-N 3.46Å; N136-F139 WeakPolarHBondContact O-CB 3.49Å; N136-F139 PolarHBondContact O-N 3.09Å; F139-N141 VanDerWaalsContact C-N 3.32Å; F139-N141 PolarHBondContact O-N 3.17Å; F139-H142 PolarHBondContact O-N 2.86Å; F139-H142 VanDerWaalsContact O-N 3.16Å; F139-L143 HydrophobicContact CD1-CD1 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.58Å; F139-L143 HydrophobicContact CE2-CD1 4.09Å; F139-L143 HydrophobicContact CE2-CG 4.36Å; F139-L143 HydrophobicContact CZ-CD1 3.54Å; F139-L143 HydrophobicContact CZ-CG 4.29Å; F139-L143 WeakPolarHBondContact O-CG 3.35Å; F139-L143 PolarHBondContact O-N 3.43Å
140L87.3Confident86.7Confident26 Ų2676 Ų7614%0.13641%0.407CS..Hα-helixtrans-60.1-41.5177.3-66.4174.8000111.6N136 V137 G144 L244 A245 A248N136-L140 WeakPolarHBondContact O-CB 3.4Å; N136-L140 VanDerWaalsContact O-CG 3.23Å; N136-L140 WeakPolarHBondContact O-CG 3.37Å; N136-L140 PolarHBondContact O-N 3.42Å; V137-L140 PolarHBondContact O-N 2.94Å; L140-G144 PolarHBondContact O-N 3.37Å; L140-L244 HydrophobicContact CD2-CB 4.39Å; L140-A245 HydrophobicContact CD2-CB 3.93Å; L140-A248 HydrophobicContact CB-CB 4.15Å; L140-A248 HydrophobicContact CD2-CB 4.27Å
141N87.1Confident85.2Confident101 Ų10171.6 Ų71.654%0.5438%0.384SS..Hα-helixtrans-63.9-41175.5-80.6-27.7000112.2V137 I138 F139 G144 T145V137-N141 VanDerWaalsContact O-CB 3.28Å; V137-N141 WeakPolarHBondContact O-CB 3.34Å; V137-N141 VanDerWaalsContact O-CG 3.26Å; V137-N141 PolarHBondContact O-N 3.37Å; V137-N141 PolarHBondContact O-ND2 3.47Å; I138-N141 PolarHBondContact O-N 3.13Å; F139-N141 VanDerWaalsContact C-N 3.32Å; F139-N141 PolarHBondContact O-N 3.17Å; N141-G144 CarbonylContact O-C 3.55Å; N141-G144 VanDerWaalsContact O-CA 3.3Å; N141-G144 WeakPolarHBondContact O-CA 3.34Å; N141-G144 PolarHBondContact O-N 2.91Å; N141-G144 VanDerWaalsContact O-N 3.16Å; N141-T145 WeakPolarHBondContact O-CG2 3.48Å; N141-T145 PolarHBondContact O-N 3.23Å; N141-T145 PolarHBondContact O-OG1 3.43Å
142H88.1Confident83.8Confident139 Ų13967.4 Ų67.464%0.64437%0.368SS*.Hα-helixtrans-64.5-45.2179.8-164.966.4000111.4I138 F139 G144 T145 G146I138-H142 WeakPolarHBondContact O-CB 3.28Å; I138-H142 PolarHBondContact O-N 2.8Å; F139-H142 PolarHBondContact O-N 2.86Å; F139-H142 VanDerWaalsContact O-N 3.16Å; H142-G144 VanDerWaalsContact C-N 3.28Å; H142-G144 PolarHBondContact O-N 3Å; H142-T145 WeakPolarHBondContact CA-OG1 3.2Å; H142-T145 PolarHBondContact O-N 3.22Å; H142-T145 VanDerWaalsContact O-N 3.15Å; H142-T145 PolarHBondContact O-OG1 2.86Å; H142-G146 PolarHBondContact O-N 3.24Å
143L83.6Confident82.4Confident66 Ų6670.7 Ų70.735%0.34639%0.387SS..Hα-helixtrans-58.2-44171.1-64.6-179.1000111F139 T145 G146 L147 A245 L249F139-L143 HydrophobicContact CD1-CD1 4.2Å; F139-L143 HydrophobicContact CE1-CD1 3.58Å; F139-L143 HydrophobicContact CE2-CD1 4.09Å; F139-L143 HydrophobicContact CE2-CG 4.36Å; F139-L143 HydrophobicContact CZ-CD1 3.54Å; F139-L143 HydrophobicContact CZ-CG 4.29Å; F139-L143 WeakPolarHBondContact O-CG 3.35Å; F139-L143 PolarHBondContact O-N 3.43Å; L143-T145 VanDerWaalsContact C-N 3.34Å; L143-T145 PolarHBondContact O-N 3.28Å; L143-G146 PolarHBondContact O-N 3.43Å; L143-L147 PolarHBondContact O-N 3.39Å; L143-A245 HydrophobicContact CD1-CB 3.48Å; L143-A245 VanDerWaalsContact CD1-CB 3.48Å; L143-L249 WeakPolarHBondContact O-CD2 3.42Å
144G78.8Confident80.8Confident7 Ų770.5 Ų70.57%0.07239%0.386CS..Hα-helixtrans-46.3-53.2169.800000113.5L140 N141 H142 R148 L249L140-G144 PolarHBondContact O-N 3.37Å; N141-G144 CarbonylContact O-C 3.55Å; N141-G144 VanDerWaalsContact O-CA 3.3Å; N141-G144 WeakPolarHBondContact O-CA 3.34Å; N141-G144 PolarHBondContact O-N 2.91Å; N141-G144 VanDerWaalsContact O-N 3.16Å; H142-G144 VanDerWaalsContact C-N 3.28Å; H142-G144 PolarHBondContact O-N 3Å; G144-R148 VanDerWaalsContact O-CG 3.32Å; G144-R148 WeakPolarHBondContact O-CG 3.44Å; G144-R148 PolarHBondContact O-N 3.01Å; G144-R148 VanDerWaalsContact O-N 3.11Å; G144-L249 VanDerWaalsContact CA-CD2 3.43Å
145T81.5Confident79Confident74 Ų7471.5 Ų71.545%0.45438%0.384SS..Hα-helixtrans-69.7-35.9-178.556.40000113N141 H142 L143 R148 A149N141-T145 WeakPolarHBondContact O-CG2 3.48Å; N141-T145 PolarHBondContact O-N 3.23Å; N141-T145 PolarHBondContact O-OG1 3.43Å; H142-T145 WeakPolarHBondContact CA-OG1 3.2Å; H142-T145 PolarHBondContact O-N 3.22Å; H142-T145 VanDerWaalsContact O-N 3.15Å; H142-T145 PolarHBondContact O-OG1 2.86Å; L143-T145 VanDerWaalsContact C-N 3.34Å; L143-T145 PolarHBondContact O-N 3.28Å; T145-R148 PolarHBondContact O-N 3.14Å; T145-A149 WeakPolarHBondContact O-CB 3.41Å; T145-A149 PolarHBondContact O-N 2.61Å
146G79.7Confident77.4Confident35 Ų3576.3 Ų76.336%0.36140%0.395SS..Hα-helixtrans-59.9-47.2176.300000111.8H142 L143 A149 H150H142-G146 PolarHBondContact O-N 3.24Å; L143-G146 PolarHBondContact O-N 3.43Å; G146-A149 WeakPolarHBondContact O-CB 3.45Å; G146-A149 PolarHBondContact O-N 3.42Å; G146-H150 PolarHBondContact O-CD2 3.21Å; G146-H150 VanDerWaalsContact O-CD2 3.23Å; G146-H150 PolarHBondContact O-N 3.27Å; G146-H150 VanDerWaalsContact O-N 3.14Å
147L73Confident75.6Confident28 Ų2881.2 Ų81.215%0.14741%0.412CS..Hα-helixtrans-66.6-41.2176.4-172.865.6000111.8L143 A149 H150 L151 L176 L249 L253L143-L147 PolarHBondContact O-N 3.39Å; L147-A149 VanDerWaalsContact C-N 3.26Å; L147-A149 PolarHBondContact O-N 2.96Å; L147-H150 WeakPolarHBondContact O-CB 3.34Å; L147-H150 PolarHBondContact O-N 2.93Å; L147-H150 VanDerWaalsContact O-N 3.11Å; L147-L151 WeakPolarHBondContact O-CG 3.46Å; L147-L151 PolarHBondContact O-N 3.45Å; L147-L176 HydrophobicContact CD2-CD2 4.14Å; L147-L249 HydrophobicContact CB-CD2 3.5Å; L147-L249 HydrophobicContact CD2-CB 3.94Å; L147-L249 HydrophobicContact CD2-CD1 4.11Å; L147-L249 HydrophobicContact CD2-CD2 3.57Å; L147-L249 HydrophobicContact CD2-CG 4.1Å; L147-L249 HydrophobicContact CG-CD2 4.17Å; L147-L253 HydrophobicContact CD2-CD1 3.58Å; L147-L253 HydrophobicContact CG-CD1 4.15Å
148R72.8Confident74Confident123 Ų12383.2 Ų83.246%0.46442%0.416SS..Hα-helixtrans-61.4-34.2174.1-72.4177.8-167.8-16312.6112.4G144 T145 H150 L151 A152 P252 L253G144-R148 VanDerWaalsContact O-CG 3.32Å; G144-R148 WeakPolarHBondContact O-CG 3.44Å; G144-R148 PolarHBondContact O-N 3.01Å; G144-R148 VanDerWaalsContact O-N 3.11Å; T145-R148 PolarHBondContact O-N 3.14Å; R148-H150 VanDerWaalsContact C-N 3.34Å; R148-L151 CarbonylContact O-C 3.54Å; R148-L151 WeakPolarHBondContact O-CB 3.48Å; R148-L151 PolarHBondContact O-N 2.78Å; R148-L151 VanDerWaalsContact O-N 3.15Å; R148-A152 WeakPolarHBondContact O-CB 3.38Å; R148-A152 PolarHBondContact O-N 2.93Å; R148-P252 VanDerWaalsContact NH2-CG 3.33Å; R148-L253 HydrophobicContact CG-CD2 4.11Å
149A76.1Confident72.6Confident53 Ų5386 Ų8644%0.43843%0.432SS..Hα-helixtrans-66.3-37174.700000111.5T145 G146 L147 L151 A152 T153T145-A149 WeakPolarHBondContact O-CB 3.41Å; T145-A149 PolarHBondContact O-N 2.61Å; G146-A149 WeakPolarHBondContact O-CB 3.45Å; G146-A149 PolarHBondContact O-N 3.42Å; L147-A149 VanDerWaalsContact C-N 3.26Å; L147-A149 PolarHBondContact O-N 2.96Å; A149-L151 VanDerWaalsContact C-N 3.3Å; A149-L151 PolarHBondContact O-N 3.34Å; A149-A152 PolarHBondContact O-N 2.9Å; A149-T153 WeakPolarHBondContact O-CB 3.32Å; A149-T153 PolarHBondContact O-N 3.44Å; A149-T153 PolarHBondContact O-OG1 2.91Å
150H69.3Low71.3Confident134 Ų13487.6 Ų87.662%0.6244%0.435SS*.Hα-helixtrans-61.7-38.8169.4-76.2-71.6000111.9G146 L147 R148 T153 I154G146-H150 PolarHBondContact O-CD2 3.21Å; G146-H150 VanDerWaalsContact O-CD2 3.23Å; G146-H150 PolarHBondContact O-N 3.27Å; G146-H150 VanDerWaalsContact O-N 3.14Å; L147-H150 WeakPolarHBondContact O-CB 3.34Å; L147-H150 PolarHBondContact O-N 2.93Å; L147-H150 VanDerWaalsContact O-N 3.11Å; R148-H150 VanDerWaalsContact C-N 3.34Å; H150-T153 WeakPolarHBondContact O-CB 3.35Å; H150-T153 PolarHBondContact O-N 3.09Å; H150-I154 WeakPolarHBondContact O-CG1 3.46Å; H150-I154 PolarHBondContact O-N 3.21Å; H150-I154 VanDerWaalsContact O-N 3.15Å
151L66.4Low70.6Confident27 Ų2790.8 Ų90.814%0.14146%0.457CS..Hα-helixtrans-70.4-39.1175.2-60.1-177.9000114L147 R148 A149 T153 I154 E155 L172 L253L147-L151 WeakPolarHBondContact O-CG 3.46Å; L147-L151 PolarHBondContact O-N 3.45Å; R148-L151 CarbonylContact O-C 3.54Å; R148-L151 WeakPolarHBondContact O-CB 3.48Å; R148-L151 PolarHBondContact O-N 2.78Å; R148-L151 VanDerWaalsContact O-N 3.15Å; A149-L151 VanDerWaalsContact C-N 3.3Å; A149-L151 PolarHBondContact O-N 3.34Å; L151-T153 VanDerWaalsContact C-N 3.29Å; L151-I154 HydrophobicContact CD2-CD1 4.19Å; L151-I154 WeakPolarHBondContact O-CA 3.47Å; L151-I154 VanDerWaalsContact O-CB 3.23Å; L151-I154 WeakPolarHBondContact O-CB 3.34Å; L151-I154 PolarHBondContact O-N 3.42Å; L151-I154 VanDerWaalsContact O-N 3.16Å; L151-E155 PolarHBondContact O-N 3.4Å; L151-L172 HydrophobicContact CD1-CD2 4.08Å; L151-L172 HydrophobicContact CD2-CD1 3.54Å; L151-L172 HydrophobicContact CD2-CD2 3.12Å; L151-L172 HydrophobicContact CD2-CG 3.83Å; L151-L172 HydrophobicContact CG-CD2 4.22Å; L151-L253 HydrophobicContact CD1-CD1 3.9Å; L151-L253 HydrophobicContact CD1-CD2 3.29Å; L151-L253 HydrophobicContact CD1-CG 4.23Å
152A67.4Low69.7Low44 Ų4490.2 Ų90.236%0.36445%0.448SS..Hα-helixtrans-70.8-31.5175.700000111.1R148 A149 I154 E155 R156R148-A152 WeakPolarHBondContact O-CB 3.38Å; R148-A152 PolarHBondContact O-N 2.93Å; A149-A152 PolarHBondContact O-N 2.9Å; A152-I154 VanDerWaalsContact C-N 3.26Å; A152-I154 PolarHBondContact O-N 3.23Å; A152-E155 PolarHBondContact O-N 2.9Å; A152-E155 VanDerWaalsContact O-N 3.17Å; A152-R156 PolarHBondContact O-N 3.03Å
153T68Low68.7Low76 Ų7693.5 Ų93.547%0.46646%0.455SS..Hα-helixtrans-59.8-42.9169.5-57.90000109.3A149 H150 L151 E155 R156 W157A149-T153 WeakPolarHBondContact O-CB 3.32Å; A149-T153 PolarHBondContact O-N 3.44Å; A149-T153 PolarHBondContact O-OG1 2.91Å; H150-T153 WeakPolarHBondContact O-CB 3.35Å; H150-T153 PolarHBondContact O-N 3.09Å; L151-T153 VanDerWaalsContact C-N 3.29Å; T153-E155 VanDerWaalsContact C-N 3.35Å; T153-R156 PolarHBondContact O-N 2.91Å; T153-W157 PolarHBondContact O-NE1 2.87Å
154I61.1Low68.2Low58 Ų5891.9 Ų91.930%0.29745%0.449SS..Hα-helixtrans-60.6-39.2173.2-74.3160.7000112.1H150 L151 A152 W157 Q168H150-I154 WeakPolarHBondContact O-CG1 3.46Å; H150-I154 PolarHBondContact O-N 3.21Å; H150-I154 VanDerWaalsContact O-N 3.15Å; L151-I154 HydrophobicContact CD2-CD1 4.19Å; L151-I154 WeakPolarHBondContact O-CA 3.47Å; L151-I154 VanDerWaalsContact O-CB 3.23Å; L151-I154 WeakPolarHBondContact O-CB 3.34Å; L151-I154 PolarHBondContact O-N 3.42Å; L151-I154 VanDerWaalsContact O-N 3.16Å; A152-I154 VanDerWaalsContact C-N 3.26Å; A152-I154 PolarHBondContact O-N 3.23Å; I154-W157 WeakPolarHBondContact O-CB 3.42Å; I154-W157 PolarHBondContact O-N 3.19Å; I154-Q168 HydrophobicContact CG2-CB 4.29Å; I154-Q168 VanDerWaalsContact CG2-OE1 3.25Å
155E59.3Low67.9Low89 Ų8993.6 Ų93.642%0.41646%0.455SS..Hα-helixtrans-70.8-30.8179.8-167.4164.5-14700113.8L151 A152 T153 W157 E158 R260L151-E155 PolarHBondContact O-N 3.4Å; A152-E155 PolarHBondContact O-N 2.9Å; A152-E155 VanDerWaalsContact O-N 3.17Å; T153-E155 VanDerWaalsContact C-N 3.35Å; E155-W157 PolarHBondContact O-N 3.38Å; E155-E158 PolarHBondContact O-N 3.45Å; E155-E158 VanDerWaalsContact O-N 3.12Å; E155-R260 IonicContact OE1-CZ 3.08Å; E155-R260 VanDerWaalsContact OE1-CZ 3.25Å; E155-R260 IonicContact OE1-NH1 2.61Å; E155-R260 PolarHBondContact OE1-NH1 3.46Å; E155-R260 IonicContact OE1-NH2 3.09Å; E155-R260 PolarHBondContact OE1-NH2 3.36Å; E155-R260 IonicContact OE2-NH2 2.66Å
156R60.3Low67.6Low220 Ų22093.2 Ų93.283%0.8345%0.452SS*.THydrogen-bonded Turntrans-65.4-6.5172.7-71.9-179.1-177.1175.81.3114A152 T153 E158A152-R156 PolarHBondContact O-N 3.03Å; T153-R156 PolarHBondContact O-N 2.91Å; R156-E158 VanDerWaalsContact C-N 3.32Å
157W55.3Low67.6Low120 Ų12096.7 Ų96.746%0.45546%0.462SS..THydrogen-bonded Turntrans-94.323.4172.5-5585000112.7T153 I154 E155 D159 R160T153-W157 PolarHBondContact O-NE1 2.87Å; I154-W157 WeakPolarHBondContact O-CB 3.42Å; I154-W157 PolarHBondContact O-N 3.19Å; E155-W157 PolarHBondContact O-N 3.38Å; W157-D159 PolarHBondContact O-N 2.95Å; W157-R160 HydrophobicContact CB-CG 3.85Å; W157-R160 HydrophobicContact CE3-CG 4.22Å; W157-R160 WeakPolarHBondContact O-CB 3.33Å; W157-R160 WeakPolarHBondContact O-CG 3.43Å; W157-R160 PolarHBondContact O-N 3.35Å
158E57.3Low67.8Low115 Ų11598.8 Ų98.854%0.53747%0.471SS..THydrogen-bonded Turntrans-50.8-23.4177.6-159.166.7-13600113.6E155 R156 R160 Q165E155-E158 PolarHBondContact O-N 3.45Å; E155-E158 VanDerWaalsContact O-N 3.12Å; R156-E158 VanDerWaalsContact C-N 3.32Å; E158-R160 PolarHBondContact O-N 3.41Å; E158-Q165 VanDerWaalsContact CD-NE2 3.31Å; E158-Q165 PolarHBondContact OE1-NE2 2.91Å
159D62.2Low68Low168 Ų16894.2 Ų94.290%0.89846%0.457SS*.THydrogen-bonded Turntrans-74.2-5.2173.7-67.4-33.4000114.3W157W157-D159 PolarHBondContact O-N 2.95Å
160R63.3Low68.3Low136 Ų13697 Ų9751%0.51346%0.463SS..SBendtrans-82.4147.4179-70.1-76.4-165.2165.61.1111W157 E158 R162 S164W157-R160 HydrophobicContact CB-CG 3.85Å; W157-R160 HydrophobicContact CE3-CG 4.22Å; W157-R160 WeakPolarHBondContact O-CB 3.33Å; W157-R160 WeakPolarHBondContact O-CG 3.43Å; W157-R160 PolarHBondContact O-N 3.35Å; E158-R160 PolarHBondContact O-N 3.41Å; R160-R162 PolarHBondContact O-N 2.94Å; R160-S164 VanDerWaalsContact CB-OG 3.31Å; R160-S164 WeakPolarHBondContact CB-OG 3.39Å
161P71.2Confident69.1Low93 Ų9392.4 Ų92.460%0.60445%0.453SS*.  trans-58.7139.6-178.721.4-32.1000112R163 S164P161-R163 PolarHBondContact O-N 3.35Å; P161-S164 WeakPolarHBondContact O-CB 3.34Å; P161-S164 PolarHBondContact O-N 3.32Å; P161-S164 PolarHBondContact O-OG 3.21Å
162R68.3Low69.8Low89 Ų8992.2 Ų92.234%0.33645%0.452SS..Hα-helixtrans-45-31.7-176.3-168.7170.4173.6-159.2-11.9115.3R160 S164 Q165 V166R160-R162 PolarHBondContact O-N 2.94Å; R162-S164 VanDerWaalsContact C-N 3.33Å; R162-S164 PolarHBondContact O-N 3.11Å; R162-Q165 PolarHBondContact O-N 3.41Å; R162-V166 WeakPolarHBondContact O-CG2 3.25Å; R162-V166 PolarHBondContact O-N 3.18Å
163R68.8Low70.5Confident209 Ų20991.5 Ų91.579%0.78945%0.446SS*.Hα-helixtrans-61.9-37.3175.3-171176.4180-179.5-0113P161 L167P161-R163 PolarHBondContact O-N 3.35Å; R163-L167 HydrophobicContact CG-CD1 4.39Å; R163-L167 WeakPolarHBondContact O-CD1 3.39Å; R163-L167 WeakPolarHBondContact O-CG 3.43Å; R163-L167 PolarHBondContact O-N 2.92Å
164S72.1Confident71.5Confident31 Ų3193.2 Ų93.222%0.21745%0.452CS..Hα-helixtrans-74.7-36.8179.565.40000112.7R160 P161 R162 L167 Q168R160-S164 VanDerWaalsContact CB-OG 3.31Å; R160-S164 WeakPolarHBondContact CB-OG 3.39Å; P161-S164 WeakPolarHBondContact O-CB 3.34Å; P161-S164 PolarHBondContact O-N 3.32Å; P161-S164 PolarHBondContact O-OG 3.21Å; R162-S164 VanDerWaalsContact C-N 3.33Å; R162-S164 PolarHBondContact O-N 3.11Å; S164-L167 PolarHBondContact O-N 2.85Å; S164-Q168 WeakPolarHBondContact O-CG 3.42Å; S164-Q168 PolarHBondContact O-N 3.03Å
165Q72.1Confident72.8Confident44 Ų4495.8 Ų95.821%0.20646%0.461CS..Hα-helixtrans-61.8-45.2173.2-66.9179.3-44.700111.3E158 R162 L167 Q168 V169E158-Q165 VanDerWaalsContact CD-NE2 3.31Å; E158-Q165 PolarHBondContact OE1-NE2 2.91Å; R162-Q165 PolarHBondContact O-N 3.41Å; Q165-L167 PolarHBondContact O-N 2.98Å; Q165-Q168 PolarHBondContact O-N 3.31Å; Q165-V169 WeakPolarHBondContact O-CG2 3.25Å; Q165-V169 PolarHBondContact O-N 3.45Å
166V75.1Confident74.1Confident66 Ų6692.1 Ų92.140%0.444%0.444SS..Hα-helixtrans-62.1-42.9176.9173.40000111.6R162 Q168 V169 L170 L264R162-V166 WeakPolarHBondContact O-CG2 3.25Å; R162-V166 PolarHBondContact O-N 3.18Å; V166-Q168 VanDerWaalsContact C-N 3.34Å; V166-Q168 PolarHBondContact O-N 2.9Å; V166-V169 PolarHBondContact O-N 2.89Å; V166-L170 WeakPolarHBondContact O-CB 3.26Å; V166-L170 PolarHBondContact O-N 3.15Å; V166-L264 HydrophobicContact CG2-CD1 4.42Å
167L80.4Confident75.4Confident107 Ų10785.9 Ų85.956%0.5643%0.43SS*.Hα-helixtrans-62.6-37.7177.5-78.2163.8000112.6R163 S164 Q165 G171R163-L167 HydrophobicContact CG-CD1 4.39Å; R163-L167 WeakPolarHBondContact O-CD1 3.39Å; R163-L167 WeakPolarHBondContact O-CG 3.43Å; R163-L167 PolarHBondContact O-N 2.92Å; S164-L167 PolarHBondContact O-N 2.85Å; Q165-L167 PolarHBondContact O-N 2.98Å; L167-G171 PolarHBondContact O-N 3.44Å
168Q77.1Confident77.1Confident72 Ų7284.9 Ų84.934%0.33643%0.433SS..Hα-helixtrans-72.2-43.9178.1-72.6174.5-5.100112.4I154 S164 Q165 V166 L170 G171 L172I154-Q168 HydrophobicContact CG2-CB 4.29Å; I154-Q168 VanDerWaalsContact CG2-OE1 3.25Å; S164-Q168 WeakPolarHBondContact O-CG 3.42Å; S164-Q168 PolarHBondContact O-N 3.03Å; Q165-Q168 PolarHBondContact O-N 3.31Å; V166-Q168 VanDerWaalsContact C-N 3.34Å; V166-Q168 PolarHBondContact O-N 2.9Å; Q168-L170 VanDerWaalsContact C-N 3.3Å; Q168-L170 PolarHBondContact O-N 3.06Å; Q168-G171 PolarHBondContact O-N 3.41Å; Q168-L172 WeakPolarHBondContact O-CB 3.32Å; Q168-L172 PolarHBondContact O-N 2.84Å
169V77.4Confident78.7Confident27 Ų2780.1 Ų80.116%0.16442%0.415CS..Hα-helixtrans-61.4-42.6174.6173.10000110.4Q165 V166 A173Q165-V169 WeakPolarHBondContact O-CG2 3.25Å; Q165-V169 PolarHBondContact O-N 3.45Å; V166-V169 PolarHBondContact O-N 2.89Å; V169-A173 VanDerWaalsContact O-CB 3.28Å; V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 3.15Å
170L82.6Confident79.9Confident111 Ų11173.6 Ų73.658%0.58138%0.382SS*.Hα-helixtrans-63.6-44.4175.4-176.366.9000111.8V166 Q168 A173 L174V166-L170 WeakPolarHBondContact O-CB 3.26Å; V166-L170 PolarHBondContact O-N 3.15Å; Q168-L170 VanDerWaalsContact C-N 3.3Å; Q168-L170 PolarHBondContact O-N 3.06Å; L170-A173 PolarHBondContact O-N 3.36Å; L170-L174 WeakPolarHBondContact O-CB 3.25Å; L170-L174 PolarHBondContact O-N 2.94Å
171G84.9Confident81.2Confident39 Ų3972.1 Ų72.140%0.40238%0.383SS..Hα-helixtrans-63.1-42.1178.200000112.7L167 Q168 L174 F175L167-G171 PolarHBondContact O-N 3.44Å; Q168-G171 PolarHBondContact O-N 3.41Å; G171-L174 PolarHBondContact O-N 3.22Å; G171-F175 WeakPolarHBondContact O-CB 3.37Å; G171-F175 PolarHBondContact O-N 3.03Å
172L81.6Confident82.2Confident23 Ų2371.4 Ų71.412%0.1238%0.377CS..Hα-helixtrans-64.5-47.3172.9176.376.3000111.7L151 Q168 L174 F175 L176 L257L151-L172 HydrophobicContact CD1-CD2 4.08Å; L151-L172 HydrophobicContact CD2-CD1 3.54Å; L151-L172 HydrophobicContact CD2-CD2 3.12Å; L151-L172 HydrophobicContact CD2-CG 3.83Å; L151-L172 HydrophobicContact CG-CD2 4.22Å; Q168-L172 WeakPolarHBondContact O-CB 3.32Å; Q168-L172 PolarHBondContact O-N 2.84Å; L172-L174 VanDerWaalsContact C-N 3.25Å; L172-L174 PolarHBondContact O-N 3.43Å; L172-F175 WeakPolarHBondContact O-CB 3.41Å; L172-F175 PolarHBondContact O-N 3.46Å; L172-F175 VanDerWaalsContact O-N 3.15Å; L172-L176 HydrophobicContact CD1-CD1 4.32Å; L172-L176 HydrophobicContact CD1-CG 4.33Å; L172-L176 HydrophobicContact CD2-CD1 4.4Å; L172-L176 HydrophobicContact CG-CD1 4.03Å; L172-L176 HydrophobicContact CG-CG 4.35Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.27Å; L172-L257 HydrophobicContact CD2-CD1 3.87Å; L172-L257 HydrophobicContact CD2-CD2 3.67Å; L172-L257 HydrophobicContact CD2-CG 4.39Å
173A83.1Confident83.3Confident29 Ų2968.6 Ų68.624%0.2437%0.368CS..Hα-helixtrans-58.6-42.7178.700000110.5V169 L170 L176 T177V169-A173 VanDerWaalsContact O-CB 3.28Å; V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 3.15Å; L170-A173 PolarHBondContact O-N 3.36Å; A173-L176 PolarHBondContact O-N 3.32Å; A173-T177 VanDerWaalsContact O-CG2 3.28Å; A173-T177 WeakPolarHBondContact O-CG2 3.42Å; A173-T177 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-OG1 2.62Å; A173-T177 VanDerWaalsContact O-OG1 3.06Å
174L88.5Confident84.3Confident112 Ų11260.3 Ų60.359%0.58634%0.34SS*.Hα-helixtrans-62.4-43.7174.1-177.966.8000112.4L170 G171 L172 T177 L178L170-L174 WeakPolarHBondContact O-CB 3.25Å; L170-L174 PolarHBondContact O-N 2.94Å; G171-L174 PolarHBondContact O-N 3.22Å; L172-L174 VanDerWaalsContact C-N 3.25Å; L172-L174 PolarHBondContact O-N 3.43Å; L174-T177 WeakPolarHBondContact CA-OG1 3.32Å; L174-T177 PolarHBondContact O-N 2.9Å; L174-T177 PolarHBondContact O-OG1 3.07Å; L174-T177 VanDerWaalsContact O-OG1 3.05Å; L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 PolarHBondContact O-N 2.96Å
175F88.4Confident85.2Confident111 Ų11161.4 Ų61.449%0.48734%0.342SS..Hα-helixtrans-61.1-44.9176.4172-101.2000111.7G171 L172 G179 W246G171-F175 WeakPolarHBondContact O-CB 3.37Å; G171-F175 PolarHBondContact O-N 3.03Å; L172-F175 WeakPolarHBondContact O-CB 3.41Å; L172-F175 PolarHBondContact O-N 3.46Å; L172-F175 VanDerWaalsContact O-N 3.15Å; F175-G179 PolarHBondContact O-N 3.45Å; F175-W246 HydrophobicContact CD1-CH2 4.07Å; F175-W246 AromaticContact CE1-CH2 3.52Å; F175-W246 HydrophobicContact CE1-CH2 3.52Å; F175-W246 AromaticContact CE1-CZ3 3.91Å; F175-W246 HydrophobicContact CE1-CZ3 3.91Å; F175-W246 HydrophobicContact CE2-CH2 4.47Å; F175-W246 AromaticContact CZ-CH2 3.76Å; F175-W246 HydrophobicContact CZ-CH2 3.76Å; F175-W246 AromaticContact CZ-CZ3 3.96Å; F175-W246 HydrophobicContact CZ-CZ3 3.96Å
176L86.5Confident86.2Confident13 Ų1365.2 Ų65.27%0.06836%0.359CS..Hα-helixtrans-66.2-43.6178.5-69.5176.6000112L147 L172 A173 T180 W246 L257L147-L176 HydrophobicContact CD2-CD2 4.14Å; L172-L176 HydrophobicContact CD1-CD1 4.32Å; L172-L176 HydrophobicContact CD1-CG 4.33Å; L172-L176 HydrophobicContact CD2-CD1 4.4Å; L172-L176 HydrophobicContact CG-CD1 4.03Å; L172-L176 HydrophobicContact CG-CG 4.35Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.27Å; A173-L176 PolarHBondContact O-N 3.32Å; L176-T180 WeakPolarHBondContact O-CB 3.49Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-T180 PolarHBondContact O-OG1 3.01Å; L176-W246 HydrophobicContact CD2-CH2 4.36Å; L176-W246 HydrophobicContact CD2-CZ2 4.22Å; L176-W246 WeakPolarHBondContact O-CZ2 3.46Å; L176-L257 HydrophobicContact CD1-CD1 3.56Å
177T86.9Confident87.1Confident88 Ų8862.5 Ų62.554%0.5434%0.343SS..Hα-helixtrans-68.1-43.9178.355.40000111.6A173 L174 T180 L181A173-T177 VanDerWaalsContact O-CG2 3.28Å; A173-T177 WeakPolarHBondContact O-CG2 3.42Å; A173-T177 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-OG1 2.62Å; A173-T177 VanDerWaalsContact O-OG1 3.06Å; L174-T177 WeakPolarHBondContact CA-OG1 3.32Å; L174-T177 PolarHBondContact O-N 2.9Å; L174-T177 PolarHBondContact O-OG1 3.07Å; L174-T177 VanDerWaalsContact O-OG1 3.05Å; T177-T180 PolarHBondContact O-N 2.98Å; T177-L181 PolarHBondContact O-N 3.22Å
178L91.3Very high87.7Confident99 Ų9957.4 Ų57.452%0.51832%0.316SS..Hα-helixtrans-63.6-46.2177.9-177.663.7000111.6L174 T180 L181 V182L174-L178 WeakPolarHBondContact O-CB 3.27Å; L174-L178 PolarHBondContact O-N 2.96Å; L178-T180 VanDerWaalsContact C-N 3.3Å; L178-T180 PolarHBondContact O-N 3.38Å; L178-L181 WeakPolarHBondContact O-CB 3.31Å; L178-L181 PolarHBondContact O-N 3.37Å; L178-V182 WeakPolarHBondContact O-CG2 3.01Å; L178-V182 PolarHBondContact O-N 3.09Å
179G90.5Very high88.5Confident15 Ų1558.6 Ų58.616%0.15532%0.323CS..Hα-helixtrans-65.1-34.3178.200000112.6F175 V182 I183F175-G179 PolarHBondContact O-N 3.45Å; G179-V182 PolarHBondContact O-N 3.43Å; G179-I183 WeakPolarHBondContact O-CB 3.25Å; G179-I183 WeakPolarHBondContact O-CG1 3.15Å; G179-I183 PolarHBondContact O-N 3.28Å
180T89Confident89.3Confident32 Ų3259.9 Ų59.920%0.19633%0.33CS..Hα-helixtrans-63.8-44.6172.3-52.20000111.2L176 T177 L178 V182 I183 L184 W246 I250L176-T180 WeakPolarHBondContact O-CB 3.49Å; L176-T180 PolarHBondContact O-N 3.39Å; L176-T180 PolarHBondContact O-OG1 3.01Å; T177-T180 PolarHBondContact O-N 2.98Å; L178-T180 VanDerWaalsContact C-N 3.3Å; L178-T180 PolarHBondContact O-N 3.38Å; T180-V182 VanDerWaalsContact C-N 3.32Å; T180-V182 PolarHBondContact O-N 3.49Å; T180-I183 PolarHBondContact O-N 2.66Å; T180-L184 HydrophobicContact CG2-CD1 3.77Å; T180-L184 HydrophobicContact CG2-CG 4.26Å; T180-L184 WeakPolarHBondContact O-CB 3.27Å; T180-L184 WeakPolarHBondContact O-CG 3.37Å; T180-L184 PolarHBondContact O-N 2.93Å; T180-W246 VanDerWaalsContact N-NE1 3.19Å; T180-W246 PolarHBondContact OG1-NE1 3.22Å; T180-I250 HydrophobicContact CG2-CD1 4.31Å; T180-I250 WeakPolarHBondContact OG1-CD1 3.33Å
181L90.6Very high89.8Confident104 Ų10455 Ų5555%0.54530%0.304SS..Hα-helixtrans-60.9-43.7177-170.174.3000110.9T177 L178 L184 I185T177-L181 PolarHBondContact O-N 3.22Å; L178-L181 WeakPolarHBondContact O-CB 3.31Å; L178-L181 PolarHBondContact O-N 3.37Å; L181-L184 PolarHBondContact O-N 3.44Å; L181-I185 HydrophobicContact CD1-CD1 4.44Å; L181-I185 HydrophobicContact CD1-CG1 3.61Å; L181-I185 HydrophobicContact CG-CG1 4.02Å; L181-I185 WeakPolarHBondContact O-CB 3.48Å; L181-I185 WeakPolarHBondContact O-CG1 3.4Å; L181-I185 PolarHBondContact O-N 3.32Å
182V91.9Very high90.2Very high79 Ų7954.7 Ų54.748%0.47930%0.296SS..Hα-helixtrans-61.6-49.8176.9172.40000110.7L178 G179 T180 L184 F186 P187L178-V182 WeakPolarHBondContact O-CG2 3.01Å; L178-V182 PolarHBondContact O-N 3.09Å; G179-V182 PolarHBondContact O-N 3.43Å; T180-V182 VanDerWaalsContact C-N 3.32Å; T180-V182 PolarHBondContact O-N 3.49Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 2.83Å; V182-F186 HydrophobicContact CG1-CB 4.45Å; V182-F186 WeakPolarHBondContact O-CB 3.34Å; V182-F186 PolarHBondContact O-N 2.86Å; V182-P187 VanDerWaalsContact O-CD 3.32Å; V182-P187 WeakPolarHBondContact O-CD 3.4Å
183I90.4Very high90.7Very high29 Ų2961.7 Ų61.715%0.14933%0.328CS..Hα-helixtrans-66.4-31.1-178.1-74.2169.4000112.7G179 T180 P187 L210 W246G179-I183 WeakPolarHBondContact O-CB 3.25Å; G179-I183 WeakPolarHBondContact O-CG1 3.15Å; G179-I183 PolarHBondContact O-N 3.28Å; T180-I183 PolarHBondContact O-N 2.66Å; I183-P187 VanDerWaalsContact O-CD 3.26Å; I183-P187 WeakPolarHBondContact O-CD 3.26Å; I183-P187 VanDerWaalsContact O-CG 3.25Å; I183-P187 WeakPolarHBondContact O-CG 3.41Å; I183-L210 HydrophobicContact CG2-CD1 3.84Å; I183-W246 HydrophobicContact CD1-CB 3.44Å; I183-W246 VanDerWaalsContact CD1-CB 3.44Å; I183-W246 HydrophobicContact CD1-CD2 3.71Å; I183-W246 HydrophobicContact CD1-CE3 4.23Å; I183-W246 HydrophobicContact CD1-CG 3.33Å
184L89.6Confident91.2Very high36 Ų3662.7 Ų62.719%0.18833%0.331CS..Hα-helixtrans-92.6-21.8-179.3-69-177.4000114.4T180 L181 V182 P188 F203 L210T180-L184 HydrophobicContact CG2-CD1 3.77Å; T180-L184 HydrophobicContact CG2-CG 4.26Å; T180-L184 WeakPolarHBondContact O-CB 3.27Å; T180-L184 WeakPolarHBondContact O-CG 3.37Å; T180-L184 PolarHBondContact O-N 2.93Å; L181-L184 PolarHBondContact O-N 3.44Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 2.83Å; L184-P188 VanDerWaalsContact O-CD 3.31Å; L184-P188 WeakPolarHBondContact O-CD 3.46Å; L184-P188 WeakPolarHBondContact O-CG 3.29Å; L184-F203 HydrophobicContact CB-CE2 4.42Å; L184-L210 HydrophobicContact CD2-CD1 3.8Å
185I91.5Very high91.4Very high53 Ų5357.7 Ų57.727%0.27231%0.305SS..Hα-helixtrans-107.8-40-175-56.1-61.4000112L181 P188 M189 F199 F203L181-I185 HydrophobicContact CD1-CD1 4.44Å; L181-I185 HydrophobicContact CD1-CG1 3.61Å; L181-I185 HydrophobicContact CG-CG1 4.02Å; L181-I185 WeakPolarHBondContact O-CB 3.48Å; L181-I185 WeakPolarHBondContact O-CG1 3.4Å; L181-I185 PolarHBondContact O-N 3.32Å; I185-P188 WeakPolarHBondContact O-CD 3.31Å; I185-M189 HydrophobicContact CG2-CE 4.13Å; I185-M189 WeakPolarHBondContact O-CG 3.12Å; I185-M189 PolarHBondContact O-N 3.41Å; I185-F199 HydrophobicContact CD1-CZ 4.39Å; I185-F199 HydrophobicContact CG2-CE2 4.5Å; I185-F199 HydrophobicContact CG2-CZ 4.31Å; I185-F203 HydrophobicContact CD1-CD2 4.24Å; I185-F203 HydrophobicContact CD1-CE2 4.03Å
186F92.7Very high91.7Very high124 Ų12455.1 Ų55.154%0.54431%0.309SS..Hα-helixtrans-64.4-49.8-177.6177.1-95.6000113.3V182 M189 V190V182-F186 HydrophobicContact CG1-CB 4.45Å; V182-F186 WeakPolarHBondContact O-CB 3.34Å; V182-F186 PolarHBondContact O-N 2.86Å; F186-M189 HydrophobicContact CB-CE 4.33Å; F186-M189 HydrophobicContact CD2-CE 4.25Å; F186-M189 WeakPolarHBondContact O-CB 3.25Å; F186-M189 PolarHBondContact O-N 2.88Å; F186-V190 HydrophobicContact CD1-CG2 4.43Å; F186-V190 HydrophobicContact CE1-CG2 3.97Å; F186-V190 HydrophobicContact CE2-CG2 4.44Å; F186-V190 HydrophobicContact CZ-CG2 3.98Å; F186-V190 PolarHBondContact O-N 3.37Å
187P93.9Very high92.1Very high10 Ų1056.3 Ų56.37%0.06531%0.313CS..Hα-helixtrans-62.7-43.3179.7-17.629.1000113.8V182 I183 M189 V190 F191 W239V182-P187 VanDerWaalsContact O-CD 3.32Å; V182-P187 WeakPolarHBondContact O-CD 3.4Å; I183-P187 VanDerWaalsContact O-CD 3.26Å; I183-P187 WeakPolarHBondContact O-CD 3.26Å; I183-P187 VanDerWaalsContact O-CG 3.25Å; I183-P187 WeakPolarHBondContact O-CG 3.41Å; P187-M189 VanDerWaalsContact C-N 3.26Å; P187-M189 PolarHBondContact O-N 3.41Å; P187-V190 CarbonylContact O-C 3.51Å; P187-V190 WeakPolarHBondContact O-CA 3.26Å; P187-V190 WeakPolarHBondContact O-CB 3.35Å; P187-V190 PolarHBondContact O-N 2.85Å; P187-F191 HydrophobicContact CB-CD2 4.25Å; P187-F191 HydrophobicContact CB-CE2 3.6Å; P187-F191 HydrophobicContact CB-CZ 3.95Å; P187-F191 WeakPolarHBondContact O-CD2 3.44Å; P187-F191 VanDerWaalsContact O-CG 3.24Å; P187-F191 WeakPolarHBondContact O-CG 3.15Å; P187-F191 PolarHBondContact O-N 3.01Å; P187-W239 HydrophobicContact CB-CD2 4.16Å; P187-W239 HydrophobicContact CB-CG 4.48Å; P187-W239 HydrophobicContact CB-CZ2 3.95Å; P187-W239 HydrophobicContact CG-CD2 4.31Å; P187-W239 HydrophobicContact CG-CG 4.29Å; P187-W239 HydrophobicContact CG-CZ2 4.14Å
188P93.3Very high92.5Very high0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-54.7-36.6171.9-35.943.3000115.3L184 I185 F191 S192 F199 F203 A206L184-P188 VanDerWaalsContact O-CD 3.31Å; L184-P188 WeakPolarHBondContact O-CD 3.46Å; L184-P188 WeakPolarHBondContact O-CG 3.29Å; I185-P188 WeakPolarHBondContact O-CD 3.31Å; P188-F191 PolarHBondContact O-N 3Å; P188-S192 VanDerWaalsContact O-CB 3.27Å; P188-S192 WeakPolarHBondContact O-CB 3.49Å; P188-S192 PolarHBondContact O-N 3.3Å; P188-F199 HydrophobicContact CB-CD2 4.34Å; P188-F199 HydrophobicContact CB-CE2 3.95Å; P188-F203 HydrophobicContact CB-CB 4.32Å; P188-F203 HydrophobicContact CG-CB 4.39Å; P188-F203 HydrophobicContact CG-CD2 4.42Å; P188-A206 HydrophobicContact CG-CB 3.63Å
189M93.6Very high92.7Very high97 Ų9754 Ų5448%0.47830%0.297SS..Hα-helixtrans-64.4-42174.2-67.9-174.2-69.100111.4I185 F186 P187 H193 F199I185-M189 HydrophobicContact CG2-CE 4.13Å; I185-M189 WeakPolarHBondContact O-CG 3.12Å; I185-M189 PolarHBondContact O-N 3.41Å; F186-M189 HydrophobicContact CB-CE 4.33Å; F186-M189 HydrophobicContact CD2-CE 4.25Å; F186-M189 WeakPolarHBondContact O-CB 3.25Å; F186-M189 PolarHBondContact O-N 2.88Å; P187-M189 VanDerWaalsContact C-N 3.26Å; P187-M189 PolarHBondContact O-N 3.41Å; M189-H193 PolarHBondContact O-N 2.93Å; M189-F199 HydrophobicContact CG-CD2 4.05Å; M189-F199 HydrophobicContact CG-CE2 3.74Å
190V94.1Very high92.9Very high54 Ų5457.2 Ų57.233%0.32732%0.317SS..Hα-helixtrans-65.3-45.7176177.90000110.8F186 P187 H193 V194F186-V190 HydrophobicContact CD1-CG2 4.43Å; F186-V190 HydrophobicContact CE1-CG2 3.97Å; F186-V190 HydrophobicContact CE2-CG2 4.44Å; F186-V190 HydrophobicContact CZ-CG2 3.98Å; F186-V190 PolarHBondContact O-N 3.37Å; P187-V190 CarbonylContact O-C 3.51Å; P187-V190 WeakPolarHBondContact O-CA 3.26Å; P187-V190 WeakPolarHBondContact O-CB 3.35Å; P187-V190 PolarHBondContact O-N 2.85Å; V190-H193 PolarHBondContact O-N 2.87Å; V190-V194 HydrophobicContact CG1-CG2 4.19Å; V190-V194 WeakPolarHBondContact O-CB 3.22Å; V190-V194 WeakPolarHBondContact O-CG2 3.45Å; V190-V194 PolarHBondContact O-N 2.85Å
191F93.8Very high93.2Very high8 Ų858.6 Ų58.64%0.03532%0.322CS..Hα-helixtrans-62.3-43.7177.8-59-37.8000111.6P187 P188 H193 V194 E195 W197 F205 V220 Y232 W239P187-F191 HydrophobicContact CB-CD2 4.25Å; P187-F191 HydrophobicContact CB-CE2 3.6Å; P187-F191 HydrophobicContact CB-CZ 3.95Å; P187-F191 WeakPolarHBondContact O-CD2 3.44Å; P187-F191 VanDerWaalsContact O-CG 3.24Å; P187-F191 WeakPolarHBondContact O-CG 3.15Å; P187-F191 PolarHBondContact O-N 3.01Å; P188-F191 PolarHBondContact O-N 3Å; F191-H193 VanDerWaalsContact C-N 3.28Å; F191-H193 PolarHBondContact O-N 3.45Å; F191-V194 PolarHBondContact O-N 3.29Å; F191-E195 WeakPolarHBondContact O-CA 3.36Å; F191-E195 WeakPolarHBondContact O-CB 3.39Å; F191-E195 PolarHBondContact O-N 3.16Å; F191-W197 HydrophobicContact CB-CE3 4.1Å; F191-W197 HydrophobicContact CB-CZ3 4.17Å; F191-F205 AromaticContact CD2-CD1 3.66Å; F191-F205 HydrophobicContact CD2-CD1 3.66Å; F191-F205 AromaticContact CD2-CE1 3.86Å; F191-F205 HydrophobicContact CD2-CE1 3.86Å; F191-F205 AromaticContact CE2-CD1 3.77Å; F191-F205 HydrophobicContact CE2-CD1 3.77Å; F191-F205 AromaticContact CE2-CE1 3.57Å; F191-F205 HydrophobicContact CE2-CE1 3.57Å; F191-F205 HydrophobicContact CG-CD1 4.37Å; F191-F205 HydrophobicContact CG-CE1 4.45Å; F191-F205 AromaticContact CZ-CE1 3.94Å; F191-F205 HydrophobicContact CZ-CE1 3.94Å; F191-V220 HydrophobicContact CD1-CG1 3.72Å; F191-V220 HydrophobicContact CE1-CG1 3.77Å; F191-V220 HydrophobicContact CG-CG1 4.31Å; F191-V220 HydrophobicContact CZ-CG1 4.4Å; F191-Y232 WeakPolarHBondContact CD1-OH 3.32Å; F191-W239 HydrophobicContact CE2-CE3 4.1Å; F191-W239 AromaticContact CE2-CH2 3.7Å; F191-W239 HydrophobicContact CE2-CH2 3.7Å; F191-W239 HydrophobicContact CE2-CZ2 4.19Å; F191-W239 AromaticContact CE2-CZ3 3.65Å; F191-W239 HydrophobicContact CE2-CZ3 3.65Å; F191-W239 HydrophobicContact CZ-CD2 4.21Å; F191-W239 AromaticContact CZ-CE3 3.62Å; F191-W239 HydrophobicContact CZ-CE3 3.62Å; F191-W239 HydrophobicContact CZ-CH2 4.09Å; F191-W239 AromaticContact CZ-CZ3 3.56Å; F191-W239 HydrophobicContact CZ-CZ3 3.56Å
192S93.5Very high93.5Very high32 Ų3253.7 Ų53.722%0.22430%0.296CS..Hα-helixtrans-56.9-42.2175.9177.50000112.1P188 G196 W197P188-S192 VanDerWaalsContact O-CB 3.27Å; P188-S192 WeakPolarHBondContact O-CB 3.49Å; P188-S192 PolarHBondContact O-N 3.3Å; S192-G196 CarbonylContact O-C 3.31Å; S192-G196 VanDerWaalsContact O-CA 3.25Å; S192-G196 WeakPolarHBondContact O-CA 3.44Å; S192-G196 PolarHBondContact O-N 3.31Å; S192-G196 VanDerWaalsContact O-N 3.08Å; S192-W197 VanDerWaalsContact CA-O 3.25Å; S192-W197 WeakPolarHBondContact CA-O 3.21Å; S192-W197 VanDerWaalsContact CB-O 3.29Å; S192-W197 WeakPolarHBondContact CB-O 3.17Å; S192-W197 PolarHBondContact O-N 3.02Å; S192-W197 PolarHBondContact OG-O 3.19Å
193H91.8Very high93.6Very high170 Ų17053.7 Ų53.779%0.78729%0.29SS*.Hα-helixtrans-71.9-44.2178.8-168.164.8000113.3M189 V190 F191M189-H193 PolarHBondContact O-N 2.93Å; V190-H193 PolarHBondContact O-N 2.87Å; F191-H193 VanDerWaalsContact C-N 3.28Å; F191-H193 PolarHBondContact O-N 3.45Å
194V93.5Very high93.9Very high51 Ų5156.5 Ų56.531%0.30930%0.299SS..Hα-helixtrans-77.9-46.3-175.3176.60000111.5V190 F191 G196 Y228 Y232V190-V194 HydrophobicContact CG1-CG2 4.19Å; V190-V194 WeakPolarHBondContact O-CB 3.22Å; V190-V194 WeakPolarHBondContact O-CG2 3.45Å; V190-V194 PolarHBondContact O-N 2.85Å; F191-V194 PolarHBondContact O-N 3.29Å; V194-G196 VanDerWaalsContact C-N 3.35Å; V194-Y228 HydrophobicContact CG1-CD1 3.88Å; V194-Y228 HydrophobicContact CG1-CE1 3.92Å; V194-Y232 HydrophobicContact CB-CE2 4.3Å; V194-Y232 HydrophobicContact CG1-CD2 4.45Å; V194-Y232 HydrophobicContact CG1-CE1 4.07Å; V194-Y232 HydrophobicContact CG1-CE2 3.86Å; V194-Y232 HydrophobicContact CG2-CE2 4.35Å
195E93.3Very high94.2Very high7 Ų755 Ų553%0.03329%0.291CS..Hα-helixtrans-85.1-9.1-177.6-58.9-63.5162.200113.2F191 W197 V220 G221 K226 Y228 Y232F191-E195 WeakPolarHBondContact O-CA 3.36Å; F191-E195 WeakPolarHBondContact O-CB 3.39Å; F191-E195 PolarHBondContact O-N 3.16Å; E195-W197 HydrophobicContact CB-CB 4.49Å; E195-W197 HydrophobicContact CB-CD2 3.36Å; E195-W197 HydrophobicContact CB-CE3 3.85Å; E195-W197 HydrophobicContact CB-CG 3.66Å; E195-W197 HydrophobicContact CB-CH2 4.27Å; E195-W197 HydrophobicContact CB-CZ2 3.83Å; E195-W197 HydrophobicContact CB-CZ3 4.28Å; E195-W197 HydrophobicContact CG-CD2 3.95Å; E195-W197 HydrophobicContact CG-CE3 3.99Å; E195-W197 HydrophobicContact CG-CH2 3.8Å; E195-W197 HydrophobicContact CG-CZ2 3.74Å; E195-W197 HydrophobicContact CG-CZ3 3.93Å; E195-W197 PolarHBondContact O-N 3.1Å; E195-V220 HydrophobicContact CG-CG1 4.42Å; E195-V220 VanDerWaalsContact OE1-CA 3.27Å; E195-V220 WeakPolarHBondContact OE1-CA 3.47Å; E195-G221 PolarHBondContact OE1-N 2.81Å; E195-K226 PolarHBondContact O-NZ 2.96Å; E195-Y228 WeakPolarHBondContact OE1-CE1 3.44Å; E195-Y228 WeakPolarHBondContact OE2-CE1 3.42Å; E195-Y228 PolarHBondContact OE2-OH 2.65Å; E195-Y232 WeakPolarHBondContact OE1-CE1 3.5Å; E195-Y232 PolarHBondContact OE1-OH 3.26Å; E195-Y232 VanDerWaalsContact OE1-OH 3.1Å
196G93.1Very high94.3Very high56 Ų5652.4 Ų52.458%0.57728%0.278SS*.  trans65.416.5-175.900000113.4S192 V194S192-G196 CarbonylContact O-C 3.31Å; S192-G196 VanDerWaalsContact O-CA 3.25Å; S192-G196 WeakPolarHBondContact O-CA 3.44Å; S192-G196 PolarHBondContact O-N 3.31Å; S192-G196 VanDerWaalsContact O-N 3.08Å; V194-G196 VanDerWaalsContact C-N 3.35Å
197W95.3Very high94.4Very high38 Ų3852 Ų5214%0.14428%0.276CS..  trans-73154.8172.5-58.7-22.1000110.3F191 S192 E195 E201 F205 Y218 V220F191-W197 HydrophobicContact CB-CE3 4.1Å; F191-W197 HydrophobicContact CB-CZ3 4.17Å; S192-W197 VanDerWaalsContact CA-O 3.25Å; S192-W197 WeakPolarHBondContact CA-O 3.21Å; S192-W197 VanDerWaalsContact CB-O 3.29Å; S192-W197 WeakPolarHBondContact CB-O 3.17Å; S192-W197 PolarHBondContact O-N 3.02Å; S192-W197 PolarHBondContact OG-O 3.19Å; E195-W197 HydrophobicContact CB-CB 4.49Å; E195-W197 HydrophobicContact CB-CD2 3.36Å; E195-W197 HydrophobicContact CB-CE3 3.85Å; E195-W197 HydrophobicContact CB-CG 3.66Å; E195-W197 HydrophobicContact CB-CH2 4.27Å; E195-W197 HydrophobicContact CB-CZ2 3.83Å; E195-W197 HydrophobicContact CB-CZ3 4.28Å; E195-W197 HydrophobicContact CG-CD2 3.95Å; E195-W197 HydrophobicContact CG-CE3 3.99Å; E195-W197 HydrophobicContact CG-CH2 3.8Å; E195-W197 HydrophobicContact CG-CZ2 3.74Å; E195-W197 HydrophobicContact CG-CZ3 3.93Å; E195-W197 PolarHBondContact O-N 3.1Å; W197-E201 HydrophobicContact CB-CB 3.97Å; W197-F205 HydrophobicContact CH2-CD2 4.48Å; W197-F205 HydrophobicContact CH2-CG 4.36Å; W197-F205 HydrophobicContact CZ3-CB 4.07Å; W197-F205 AromaticContact CZ3-CD1 3.91Å; W197-F205 HydrophobicContact CZ3-CD1 3.91Å; W197-F205 HydrophobicContact CZ3-CD2 4.41Å; W197-F205 HydrophobicContact CZ3-CE1 4.5Å; W197-F205 AromaticContact CZ3-CG 3.85Å; W197-F205 HydrophobicContact CZ3-CG 3.85Å; W197-Y218 AromaticContact CD2-CD1 3.79Å; W197-Y218 HydrophobicContact CD2-CD1 3.79Å; W197-Y218 HydrophobicContact CD2-CE1 4.37Å; W197-Y218 AromaticContact CE2-CD1 3.61Å; W197-Y218 HydrophobicContact CE3-CD1 4.23Å; W197-Y218 HydrophobicContact CG-CD1 4.2Å; W197-Y218 HydrophobicContact CG-CE1 4.31Å; W197-Y218 HydrophobicContact CH2-CD1 4.36Å; W197-Y218 AromaticContact CZ2-CD1 3.93Å; W197-Y218 HydrophobicContact CZ2-CD1 3.93Å; W197-Y218 HydrophobicContact CZ3-CD1 4.5Å; W197-Y218 AromaticContact NE1-CD1 3.86Å; W197-V220 HydrophobicContact CH2-CG1 4.01Å; W197-V220 HydrophobicContact CZ3-CG1 4.24Å
198S96.4Very high94.4Very high48 Ų4852.1 Ų52.134%0.33628%0.276SS..  trans-62.5156162.667.10000110.6S200 E201 G202S198-S200 PolarHBondContact O-N 3.19Å; S198-S200 PolarHBondContact OG-OG 3.12Å; S198-E201 VanDerWaalsContact CB-OE2 3.29Å; S198-E201 WeakPolarHBondContact CB-OE2 3.43Å; S198-E201 PolarHBondContact N-OE2 2.86Å; S198-E201 PolarHBondContact O-N 3.3Å; S198-E201 VanDerWaalsContact O-N 3.16Å; S198-E201 VanDerWaalsContact OG-CD 3.22Å; S198-E201 WeakPolarHBondContact OG-CG 3.37Å; S198-E201 PolarHBondContact OG-N 2.85Å; S198-E201 PolarHBondContact OG-OE2 3.49Å; S198-G202 PolarHBondContact O-N 3.45Å
199F95.3Very high94.6Very high92 Ų9252.1 Ų52.140%0.40428%0.276SS..Hα-helixtrans-58-36.7176.3176.6-99.1000112.3I185 P188 M189 G202 F203I185-F199 HydrophobicContact CD1-CZ 4.39Å; I185-F199 HydrophobicContact CG2-CE2 4.5Å; I185-F199 HydrophobicContact CG2-CZ 4.31Å; P188-F199 HydrophobicContact CB-CD2 4.34Å; P188-F199 HydrophobicContact CB-CE2 3.95Å; M189-F199 HydrophobicContact CG-CD2 4.05Å; M189-F199 HydrophobicContact CG-CE2 3.74Å; F199-G202 PolarHBondContact O-N 3.05Å; F199-F203 WeakPolarHBondContact O-CB 3.31Å; F199-F203 PolarHBondContact O-N 2.85Å
200S95Very high94.6Very high82 Ų8247.7 Ų47.757%0.57325%0.254SS*.Hα-helixtrans-62.2-41.7176.435.70000112.9S198 F203 Y204S198-S200 PolarHBondContact O-N 3.19Å; S198-S200 PolarHBondContact OG-OG 3.12Å; S200-F203 PolarHBondContact O-N 3.44Å; S200-Y204 VanDerWaalsContact O-CB 3.29Å; S200-Y204 WeakPolarHBondContact O-CB 3.36Å; S200-Y204 PolarHBondContact O-N 2.86Å
201E95.7Very high94.5Very high61 Ų6147 Ų4729%0.28525%0.252SS..Hα-helixtrans-68.3-42176.3-71.1164.7131.900111W197 S198 F203 Y204 F205 Y218W197-E201 HydrophobicContact CB-CB 3.97Å; S198-E201 VanDerWaalsContact CB-OE2 3.29Å; S198-E201 WeakPolarHBondContact CB-OE2 3.43Å; S198-E201 PolarHBondContact N-OE2 2.86Å; S198-E201 PolarHBondContact O-N 3.3Å; S198-E201 VanDerWaalsContact O-N 3.16Å; S198-E201 VanDerWaalsContact OG-CD 3.22Å; S198-E201 WeakPolarHBondContact OG-CG 3.37Å; S198-E201 PolarHBondContact OG-N 2.85Å; S198-E201 PolarHBondContact OG-OE2 3.49Å; E201-F203 VanDerWaalsContact C-N 3.31Å; E201-F203 PolarHBondContact O-N 3.32Å; E201-Y204 WeakPolarHBondContact O-CB 3.33Å; E201-Y204 PolarHBondContact O-N 3.37Å; E201-F205 WeakPolarHBondContact O-CB 3.45Å; E201-F205 PolarHBondContact O-N 3.43Å; E201-Y218 HydrophobicContact CB-CD1 4.38Å; E201-Y218 HydrophobicContact CB-CE1 3.79Å; E201-Y218 HydrophobicContact CG-CE1 3.86Å; E201-Y218 WeakPolarHBondContact CG-OH 3.44Å; E201-Y218 PolarHBondContact OE1-OH 3.46Å
202G95.4Very high94.5Very high0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-61.1-3917400000112.7S198 F199 A206S198-G202 PolarHBondContact O-N 3.45Å; F199-G202 PolarHBondContact O-N 3.05Å; G202-A206 PolarHBondContact O-N 2.97Å
203F94.9Very high94.7Very high80 Ų8051.7 Ų51.735%0.35128%0.276SS..Hα-helixtrans-70.6-42.9176.5-177.6-93.9000111.7L184 I185 P188 F199 S200 E201 A206 F207L184-F203 HydrophobicContact CB-CE2 4.42Å; I185-F203 HydrophobicContact CD1-CD2 4.24Å; I185-F203 HydrophobicContact CD1-CE2 4.03Å; P188-F203 HydrophobicContact CB-CB 4.32Å; P188-F203 HydrophobicContact CG-CB 4.39Å; P188-F203 HydrophobicContact CG-CD2 4.42Å; F199-F203 WeakPolarHBondContact O-CB 3.31Å; F199-F203 PolarHBondContact O-N 2.85Å; S200-F203 PolarHBondContact O-N 3.44Å; E201-F203 VanDerWaalsContact C-N 3.31Å; E201-F203 PolarHBondContact O-N 3.32Å; F203-A206 PolarHBondContact O-N 3.33Å; F203-F207 PolarHBondContact O-N 2.86Å
204Y95.6Very high94.8Very high88 Ų8843.8 Ų43.835%0.34524%0.241SC..Hα-helixtrans-55.7-51.1172.6170.9-95.2000110.9S200 E201 A206 F207 I208 F215 D217 Y218S200-Y204 VanDerWaalsContact O-CB 3.29Å; S200-Y204 WeakPolarHBondContact O-CB 3.36Å; S200-Y204 PolarHBondContact O-N 2.86Å; E201-Y204 WeakPolarHBondContact O-CB 3.33Å; E201-Y204 PolarHBondContact O-N 3.37Å; Y204-A206 VanDerWaalsContact C-N 3.33Å; Y204-A206 PolarHBondContact O-N 3.33Å; Y204-F207 PolarHBondContact O-N 3.36Å; Y204-I208 HydrophobicContact CD1-CG1 4.32Å; Y204-I208 HydrophobicContact CD2-CG1 4.04Å; Y204-I208 HydrophobicContact CE1-CG1 3.96Å; Y204-I208 HydrophobicContact CE2-CD1 4.09Å; Y204-I208 HydrophobicContact CE2-CG1 3.69Å; Y204-I208 HydrophobicContact CG-CG1 4.36Å; Y204-I208 WeakPolarHBondContact O-CB 3.27Å; Y204-I208 WeakPolarHBondContact O-CG1 3.31Å; Y204-I208 PolarHBondContact O-N 2.99Å; Y204-F215 WeakPolarHBondContact OH-CD2 3.24Å; Y204-D217 VanDerWaalsContact CE1-OD2 3.25Å; Y204-D217 WeakPolarHBondContact CE1-OD2 3.37Å; Y204-D217 PolarHBondContact OH-OD2 2.85Å; Y204-Y218 HydrophobicContact CD1-CD2 4.02Å; Y204-Y218 HydrophobicContact CD1-CE2 4.35Å; Y204-Y218 HydrophobicContact CE1-CD2 4.04Å; Y204-Y218 HydrophobicContact CE1-CE2 4.43Å
205F96Very high94.9Very high3 Ų347.4 Ų47.41%0.01325%0.252CS..Hα-helixtrans-54.2-49.1174.9168.9-106.4000111.2Y111 F191 W197 E201 F207 I208 T209 Y218 V220 W239Y111-F205 AromaticContact CE1-CE2 3.95Å; Y111-F205 HydrophobicContact CE1-CE2 3.95Å; Y111-F205 AromaticContact CZ-CE2 3.86Å; Y111-F205 WeakPolarHBondContact OH-CE2 3.47Å; Y111-F205 WeakPolarHBondContact OH-CZ 3.47Å; F191-F205 AromaticContact CD2-CD1 3.66Å; F191-F205 HydrophobicContact CD2-CD1 3.66Å; F191-F205 AromaticContact CD2-CE1 3.86Å; F191-F205 HydrophobicContact CD2-CE1 3.86Å; F191-F205 AromaticContact CE2-CD1 3.77Å; F191-F205 HydrophobicContact CE2-CD1 3.77Å; F191-F205 AromaticContact CE2-CE1 3.57Å; F191-F205 HydrophobicContact CE2-CE1 3.57Å; F191-F205 HydrophobicContact CG-CD1 4.37Å; F191-F205 HydrophobicContact CG-CE1 4.45Å; F191-F205 AromaticContact CZ-CE1 3.94Å; F191-F205 HydrophobicContact CZ-CE1 3.94Å; W197-F205 HydrophobicContact CH2-CD2 4.48Å; W197-F205 HydrophobicContact CH2-CG 4.36Å; W197-F205 HydrophobicContact CZ3-CB 4.07Å; W197-F205 AromaticContact CZ3-CD1 3.91Å; W197-F205 HydrophobicContact CZ3-CD1 3.91Å; W197-F205 HydrophobicContact CZ3-CD2 4.41Å; W197-F205 HydrophobicContact CZ3-CE1 4.5Å; W197-F205 AromaticContact CZ3-CG 3.85Å; W197-F205 HydrophobicContact CZ3-CG 3.85Å; E201-F205 WeakPolarHBondContact O-CB 3.45Å; E201-F205 PolarHBondContact O-N 3.43Å; F205-F207 PolarHBondContact O-N 2.97Å; F205-I208 PolarHBondContact O-N 3.44Å; F205-T209 VanDerWaalsContact CE2-OG1 3.27Å; F205-T209 WeakPolarHBondContact CE2-OG1 3.45Å; F205-T209 WeakPolarHBondContact O-CB 3.49Å; F205-T209 PolarHBondContact O-N 3.32Å; F205-T209 PolarHBondContact O-OG1 2.85Å; F205-Y218 WeakPolarHBondContact CD2-O 3.37Å; F205-Y218 VanDerWaalsContact CE2-O 3.26Å; F205-Y218 WeakPolarHBondContact CE2-O 3.27Å; F205-V220 HydrophobicContact CD1-CG1 4.48Å; F205-V220 HydrophobicContact CE1-CG1 3.67Å; F205-V220 HydrophobicContact CZ-CG1 3.78Å; F205-W239 HydrophobicContact CE1-CH2 4.34Å; F205-W239 HydrophobicContact CE1-CZ3 4.03Å
206A94.9Very high94.8Very high0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-62.6-41.5-179.100000113.1P188 G202 F203 Y204 L210 W239P188-A206 HydrophobicContact CG-CB 3.63Å; G202-A206 PolarHBondContact O-N 2.97Å; F203-A206 PolarHBondContact O-N 3.33Å; Y204-A206 VanDerWaalsContact C-N 3.33Å; Y204-A206 PolarHBondContact O-N 3.33Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 VanDerWaalsContact O-CG 3.32Å; A206-L210 WeakPolarHBondContact O-CG 3.39Å; A206-L210 PolarHBondContact O-N 3.24Å; A206-W239 HydrophobicContact CB-CH2 3.97Å; A206-W239 HydrophobicContact CB-CZ2 3.98Å
207F93.6Very high94.8Very high114 Ų11449.6 Ų49.650%0.526%0.255SS..Hα-helixtrans-66.1-50177.1-178.1-94.7000112.1F203 Y204 F205 T209 L210 S211F203-F207 PolarHBondContact O-N 2.86Å; Y204-F207 PolarHBondContact O-N 3.36Å; F205-F207 PolarHBondContact O-N 2.97Å; F207-T209 VanDerWaalsContact C-N 3.25Å; F207-T209 PolarHBondContact O-N 3.26Å; F207-L210 PolarHBondContact O-N 2.9Å; F207-S211 VanDerWaalsContact O-CB 3.24Å; F207-S211 WeakPolarHBondContact O-CB 3.39Å; F207-S211 PolarHBondContact O-N 2.95Å; F207-S211 PolarHBondContact O-OG 3.01Å
208I95.4Very high94.7Very high13 Ų1350.5 Ų50.57%0.06726%0.259CS..Hα-helixtrans-61.6-35.4179.1-67.8-57.1000111.7Y204 F205 S211 I213 G214 F215Y204-I208 HydrophobicContact CD1-CG1 4.32Å; Y204-I208 HydrophobicContact CD2-CG1 4.04Å; Y204-I208 HydrophobicContact CE1-CG1 3.96Å; Y204-I208 HydrophobicContact CE2-CD1 4.09Å; Y204-I208 HydrophobicContact CE2-CG1 3.69Å; Y204-I208 HydrophobicContact CG-CG1 4.36Å; Y204-I208 WeakPolarHBondContact O-CB 3.27Å; Y204-I208 WeakPolarHBondContact O-CG1 3.31Å; Y204-I208 PolarHBondContact O-N 2.99Å; F205-I208 PolarHBondContact O-N 3.44Å; I208-S211 WeakPolarHBondContact CA-OG 3.25Å; I208-S211 PolarHBondContact O-OG 3.4Å; I208-I213 HydrophobicContact CD1-CB 4.44Å; I208-I213 HydrophobicContact CD1-CD1 3.96Å; I208-I213 HydrophobicContact CD1-CG2 4.4Å; I208-I213 HydrophobicContact CG2-CB 4.09Å; I208-I213 HydrophobicContact CG2-CG2 4.2Å; I208-I213 PolarHBondContact O-N 3Å; I208-G214 PolarHBondContact O-N 2.64Å; I208-G214 VanDerWaalsContact O-N 3.14Å; I208-F215 HydrophobicContact CD1-CD2 3.97Å; I208-F215 HydrophobicContact CD1-CE2 3.7Å; I208-F215 HydrophobicContact CG1-CD2 4.18Å; I208-F215 HydrophobicContact CG1-CE2 4.4Å; I208-F215 HydrophobicContact CG2-CB 4.38Å; I208-F215 HydrophobicContact CG2-CD2 3.76Å; I208-F215 HydrophobicContact CG2-CE2 4.48Å; I208-F215 HydrophobicContact CG2-CG 4.31Å
209T95.9Very high94.6Very high0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-69.4-54.4177-63.20000112I109 Y111 F205 F207 S211 T212 W239 I240I109-T209 HydrophobicContact CD1-CG2 4.08Å; Y111-T209 WeakPolarHBondContact OH-CB 3.44Å; Y111-T209 WeakPolarHBondContact OH-CG2 3.47Å; Y111-T209 PolarHBondContact OH-OG1 3.14Å; F205-T209 VanDerWaalsContact CE2-OG1 3.27Å; F205-T209 WeakPolarHBondContact CE2-OG1 3.45Å; F205-T209 WeakPolarHBondContact O-CB 3.49Å; F205-T209 PolarHBondContact O-N 3.32Å; F205-T209 PolarHBondContact O-OG1 2.85Å; F207-T209 VanDerWaalsContact C-N 3.25Å; F207-T209 PolarHBondContact O-N 3.26Å; T209-S211 VanDerWaalsContact C-N 3.3Å; T209-S211 PolarHBondContact O-N 2.67Å; T209-T212 PolarHBondContact O-N 3.48Å; T209-W239 HydrophobicContact CG2-CH2 4.2Å; T209-W239 HydrophobicContact CG2-CZ3 4.09Å; T209-I240 HydrophobicContact CG2-CD1 3.61Å; T209-I240 HydrophobicContact CG2-CG1 3.59Å
210L93.9Very high94.5Very high5 Ų544.1 Ų44.13%0.02623%0.226CC..Hα-helixtrans-75.5-19.5-174.8-65.9179.6000112.9I183 L184 A206 F207 T212 W239 L244 L247I183-L210 HydrophobicContact CG2-CD1 3.84Å; L184-L210 HydrophobicContact CD2-CD1 3.8Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 VanDerWaalsContact O-CG 3.32Å; A206-L210 WeakPolarHBondContact O-CG 3.39Å; A206-L210 PolarHBondContact O-N 3.24Å; F207-L210 PolarHBondContact O-N 2.9Å; L210-T212 PolarHBondContact O-N 3.29Å; L210-W239 HydrophobicContact CD1-CZ2 3.78Å; L210-W239 HydrophobicContact CD2-CH2 4.46Å; L210-W239 HydrophobicContact CD2-CZ2 4.18Å; L210-W239 HydrophobicContact CG-CH2 4.24Å; L210-W239 HydrophobicContact CG-CZ2 3.95Å; L210-L244 HydrophobicContact CD2-CG 4.46Å; L210-L244 WeakPolarHBondContact O-CD2 3.34Å; L210-L247 HydrophobicContact CB-CD1 3.65Å; L210-L247 VanDerWaalsContact O-CD1 3.26Å; L210-L247 WeakPolarHBondContact O-CD1 3.43Å
211S92.6Very high94.2Very high40 Ų4040.6 Ų40.628%0.2820%0.202SC..THydrogen-bonded Turntrans-80.92.4167.9590000113.6F207 I208 T209 I213F207-S211 VanDerWaalsContact O-CB 3.24Å; F207-S211 WeakPolarHBondContact O-CB 3.39Å; F207-S211 PolarHBondContact O-N 2.95Å; F207-S211 PolarHBondContact O-OG 3.01Å; I208-S211 WeakPolarHBondContact CA-OG 3.25Å; I208-S211 PolarHBondContact O-OG 3.4Å; T209-S211 VanDerWaalsContact C-N 3.3Å; T209-S211 PolarHBondContact O-N 2.67Å; S211-I213 PolarHBondContact O-N 3.45Å; S211-I213 WeakPolarHBondContact OG-CD1 3.18Å; S211-I213 WeakPolarHBondContact OG-CG1 3.27Å
212T94.3Very high93.7Very high55 Ų5540.2 Ų40.234%0.33720%0.204SC..THydrogen-bonded Turntrans55.529.3-177.5690000114.1I109 T209 L210 L244I109-T212 HydrophobicContact CG1-CG2 4.09Å; T209-T212 PolarHBondContact O-N 3.48Å; L210-T212 PolarHBondContact O-N 3.29Å; T212-L244 HydrophobicContact CG2-CD1 4.26Å; T212-L244 HydrophobicContact CG2-CD2 3.51Å
213I96Very high93.3Very high82 Ų8242.9 Ų42.942%0.42122%0.219SC..  trans-80.1-48.4173.3-65172.3000109.8I208 S211 F215I208-I213 HydrophobicContact CD1-CB 4.44Å; I208-I213 HydrophobicContact CD1-CD1 3.96Å; I208-I213 HydrophobicContact CD1-CG2 4.4Å; I208-I213 HydrophobicContact CG2-CB 4.09Å; I208-I213 HydrophobicContact CG2-CG2 4.2Å; I208-I213 PolarHBondContact O-N 3Å; S211-I213 PolarHBondContact O-N 3.45Å; S211-I213 WeakPolarHBondContact OG-CD1 3.18Å; S211-I213 WeakPolarHBondContact OG-CG1 3.27Å; I213-F215 HydrophobicContact CG2-CD1 4.03Å; I213-F215 HydrophobicContact CG2-CD2 4.01Å; I213-F215 HydrophobicContact CG2-CE1 3.71Å; I213-F215 HydrophobicContact CG2-CE2 3.71Å; I213-F215 HydrophobicContact CG2-CG 4.17Å; I213-F215 HydrophobicContact CG2-CZ 3.55Å
214G95.3Very high92.6Very high5 Ų540.6 Ų40.65%0.05221%0.212CC..  trans5758.1170.400000115.8Y111 I208 G216Y111-G214 WeakPolarHBondContact CA-O 3.35Å; I208-G214 PolarHBondContact O-N 2.64Å; I208-G214 VanDerWaalsContact O-N 3.14Å; G214-G216 VanDerWaalsContact C-N 3.26Å; G214-G216 PolarHBondContact O-N 3.02Å
215F94.1Very high91.9Very high127 Ų12740.9 Ų40.956%0.55723%0.227SC*.  trans-61.9-30.2179.3-70.3-53.6000114.7Y204 I208 I213 D217Y204-F215 WeakPolarHBondContact OH-CD2 3.24Å; I208-F215 HydrophobicContact CD1-CD2 3.97Å; I208-F215 HydrophobicContact CD1-CE2 3.7Å; I208-F215 HydrophobicContact CG1-CD2 4.18Å; I208-F215 HydrophobicContact CG1-CE2 4.4Å; I208-F215 HydrophobicContact CG2-CB 4.38Å; I208-F215 HydrophobicContact CG2-CD2 3.76Å; I208-F215 HydrophobicContact CG2-CE2 4.48Å; I208-F215 HydrophobicContact CG2-CG 4.31Å; I213-F215 HydrophobicContact CG2-CD1 4.03Å; I213-F215 HydrophobicContact CG2-CD2 4.01Å; I213-F215 HydrophobicContact CG2-CE1 3.71Å; I213-F215 HydrophobicContact CG2-CE2 3.71Å; I213-F215 HydrophobicContact CG2-CG 4.17Å; I213-F215 HydrophobicContact CG2-CZ 3.55Å; F215-D217 VanDerWaalsContact C-N 3.26Å; F215-D217 PolarHBondContact O-N 3.36Å
216G92.2Very high91.4Very high19 Ų1944 Ų4420%0.19624%0.24CC..SBendtrans76.19.4178.600000115.3Y111 G214Y111-G216 VanDerWaalsContact O-CA 3.31Å; Y111-G216 WeakPolarHBondContact O-CA 3.36Å; G214-G216 VanDerWaalsContact C-N 3.26Å; G214-G216 PolarHBondContact O-N 3.02Å
217D92.2Very high90.8Very high89 Ų8953.2 Ų53.248%0.47628%0.283SS..SBendtrans-67.4-37.4168.359.4-25.8000111.9Y204 F215Y204-D217 VanDerWaalsContact CE1-OD2 3.25Å; Y204-D217 WeakPolarHBondContact CE1-OD2 3.37Å; Y204-D217 PolarHBondContact OH-OD2 2.85Å; F215-D217 VanDerWaalsContact C-N 3.26Å; F215-D217 PolarHBondContact O-N 3.36Å
218Y94.3Very high90.4Very high57 Ų5750.4 Ų50.422%0.22427%0.269CS..SBendtrans-114.9124.1166.8-67.4-93.4000109.9W197 E201 Y204 F205W197-Y218 AromaticContact CD2-CD1 3.79Å; W197-Y218 HydrophobicContact CD2-CD1 3.79Å; W197-Y218 HydrophobicContact CD2-CE1 4.37Å; W197-Y218 AromaticContact CE2-CD1 3.61Å; W197-Y218 HydrophobicContact CE3-CD1 4.23Å; W197-Y218 HydrophobicContact CG-CD1 4.2Å; W197-Y218 HydrophobicContact CG-CE1 4.31Å; W197-Y218 HydrophobicContact CH2-CD1 4.36Å; W197-Y218 AromaticContact CZ2-CD1 3.93Å; W197-Y218 HydrophobicContact CZ2-CD1 3.93Å; W197-Y218 HydrophobicContact CZ3-CD1 4.5Å; W197-Y218 AromaticContact NE1-CD1 3.86Å; E201-Y218 HydrophobicContact CB-CD1 4.38Å; E201-Y218 HydrophobicContact CB-CE1 3.79Å; E201-Y218 HydrophobicContact CG-CE1 3.86Å; E201-Y218 WeakPolarHBondContact CG-OH 3.44Å; E201-Y218 PolarHBondContact OE1-OH 3.46Å; Y204-Y218 HydrophobicContact CD1-CD2 4.02Å; Y204-Y218 HydrophobicContact CD1-CE2 4.35Å; Y204-Y218 HydrophobicContact CE1-CD2 4.04Å; Y204-Y218 HydrophobicContact CE1-CE2 4.43Å; F205-Y218 WeakPolarHBondContact CD2-O 3.37Å; F205-Y218 VanDerWaalsContact CE2-O 3.26Å; F205-Y218 WeakPolarHBondContact CE2-O 3.27Å
219V93.2Very high90Very high6 Ų655.1 Ų55.14%0.03629%0.294CS..  trans-141.9137.6173.7-175.30000109.1F100 Y111 N113 T222F100-V219 HydrophobicContact CE1-CG1 3.87Å; F100-V219 HydrophobicContact CZ-CG1 4.29Å; Y111-V219 HydrophobicContact CD1-CG2 4.08Å; Y111-V219 HydrophobicContact CD2-CG1 4.34Å; Y111-V219 HydrophobicContact CD2-CG2 4.28Å; Y111-V219 HydrophobicContact CG-CG2 3.88Å; N113-V219 HydrophobicContact CB-CG2 4.27Å; V219-T222 HydrophobicContact CB-CG2 3.85Å; V219-T222 HydrophobicContact CG1-CG2 3.88Å; V219-T222 PolarHBondContact O-OG1 3.23Å; V219-T222 VanDerWaalsContact O-OG1 3.07Å
220V93.4Very high89.3Confident0 Ų059.4 Ų59.40%032%0.323CS..THydrogen-bonded Turntrans-71.5143.1-177-65.10000112.3F100 F191 E195 W197 F205 T222 Y232 A236F100-V220 HydrophobicContact CE2-CG2 3.97Å; F100-V220 HydrophobicContact CZ-CG2 3.92Å; F191-V220 HydrophobicContact CD1-CG1 3.72Å; F191-V220 HydrophobicContact CE1-CG1 3.77Å; F191-V220 HydrophobicContact CG-CG1 4.31Å; F191-V220 HydrophobicContact CZ-CG1 4.4Å; E195-V220 HydrophobicContact CG-CG1 4.42Å; E195-V220 VanDerWaalsContact OE1-CA 3.27Å; E195-V220 WeakPolarHBondContact OE1-CA 3.47Å; W197-V220 HydrophobicContact CH2-CG1 4.01Å; W197-V220 HydrophobicContact CZ3-CG1 4.24Å; F205-V220 HydrophobicContact CD1-CG1 4.48Å; F205-V220 HydrophobicContact CE1-CG1 3.67Å; F205-V220 HydrophobicContact CZ-CG1 3.78Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 PolarHBondContact O-N 3.01Å; V220-Y232 HydrophobicContact CB-CE1 3.74Å; V220-Y232 HydrophobicContact CG1-CE1 4.49Å; V220-Y232 HydrophobicContact CG2-CE1 4.42Å; V220-A236 HydrophobicContact CG2-CB 3.72Å
221G88.8Confident89.1Confident8 Ų863.1 Ų63.18%0.08235%0.346CS..THydrogen-bonded Turntrans75.712.4171.700000114.5E195 R233E195-G221 PolarHBondContact OE1-N 2.81Å; G221-R233 VanDerWaalsContact C-NH2 3.31Å; G221-R233 PolarHBondContact O-NE 3.1Å; G221-R233 PolarHBondContact O-NH2 3.5Å
222T85.8Confident89.1Confident53 Ų5362 Ų6233%0.32534%0.336SS..  trans-91.5-12.8-17356.10000114.9V219 V220 P224V219-T222 HydrophobicContact CB-CG2 3.85Å; V219-T222 HydrophobicContact CG1-CG2 3.88Å; V219-T222 PolarHBondContact O-OG1 3.23Å; V219-T222 VanDerWaalsContact O-OG1 3.07Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 PolarHBondContact O-N 3.01Å; T222-P224 VanDerWaalsContact O-CD 3.29Å; T222-P224 WeakPolarHBondContact O-CD 3.46Å
223D85.9Confident88.9Confident57 Ų5760.9 Ų60.931%0.30533%0.326SS..  trans-74.2115-176.9-169.6-20.3000111.3S225 K226 Y228D223-S225 PolarHBondContact O-N 3.33Å; D223-S225 WeakPolarHBondContact OD1-CB 3.45Å; D223-S225 PolarHBondContact OD1-N 2.93Å; D223-S225 PolarHBondContact OD1-OG 2.94Å; D223-S225 PolarHBondContact OD2-OG 2.67Å; D223-K226 HydrophobicContact CB-CB 4.35Å; D223-K226 HydrophobicContact CB-CD 4.25Å; D223-K226 HydrophobicContact CB-CG 4.22Å; D223-K226 PolarHBondContact O-N 3.2Å; D223-Y228 HydrophobicContact CB-CE2 4.33Å; D223-Y228 VanDerWaalsContact CB-OH 3.25Å; D223-Y228 WeakPolarHBondContact CB-OH 3.29Å; D223-Y228 PolarHBondContact N-OH 3.26Å; D223-Y228 WeakPolarHBondContact O-CE2 3.39Å
224P81.3Confident88.8Confident32 Ų3258.1 Ų58.121%0.20831%0.313CS..THydrogen-bonded Turntrans-66.5-18.3179.728-36.3000113.5N82 K84 N89 T222 K226N82-P224 HydrophobicContact CB-CG 4.38Å; N82-P224 WeakPolarHBondContact ND2-CD 3.23Å; N82-P224 WeakPolarHBondContact ND2-CG 3.42Å; K84-P224 HydrophobicContact CB-CG 4.36Å; N89-P224 WeakPolarHBondContact ND2-CB 3.29Å; T222-P224 VanDerWaalsContact O-CD 3.29Å; T222-P224 WeakPolarHBondContact O-CD 3.46Å; P224-K226 VanDerWaalsContact C-N 3.28Å
225S81.6Confident88.7Confident94 Ų9462.5 Ų62.566%0.65734%0.335SS*.THydrogen-bonded Turntrans-81.4-9.5179.771.20000113.2D223D223-S225 PolarHBondContact O-N 3.33Å; D223-S225 WeakPolarHBondContact OD1-CB 3.45Å; D223-S225 PolarHBondContact OD1-N 2.93Å; D223-S225 PolarHBondContact OD1-OG 2.94Å; D223-S225 PolarHBondContact OD2-OG 2.67Å
226K83.9Confident88.7Confident68 Ų6856.7 Ų56.730%0.29631%0.31SS..SBendtrans-111.5138.6-176-65.4-173.4179.7-170.50111.7E195 D223 P224 Y228E195-K226 PolarHBondContact O-NZ 2.96Å; D223-K226 HydrophobicContact CB-CB 4.35Å; D223-K226 HydrophobicContact CB-CD 4.25Å; D223-K226 HydrophobicContact CB-CG 4.22Å; D223-K226 PolarHBondContact O-N 3.2Å; P224-K226 VanDerWaalsContact C-N 3.28Å; K226-Y228 HydrophobicContact CB-CD2 4.29Å; K226-Y228 HydrophobicContact CB-CE1 4.39Å; K226-Y228 HydrophobicContact CB-CE2 3.66Å; K226-Y228 WeakPolarHBondContact O-CD2 3.19Å; K226-Y228 PolarHBondContact O-N 2.71Å
227H82.5Confident88.8Confident194 Ų19456 Ų5690%0.89830%0.303SS*.  trans-92101.7172.6-71-64.9000110.2
228Y85.8Confident88.8Confident54 Ų5455.5 Ų55.521%0.21230%0.299CS..  trans-86.9149.2174.4-56.7-85.8000111.3V194 E195 D223 K226 Y232V194-Y228 HydrophobicContact CG1-CD1 3.88Å; V194-Y228 HydrophobicContact CG1-CE1 3.92Å; E195-Y228 WeakPolarHBondContact OE1-CE1 3.44Å; E195-Y228 WeakPolarHBondContact OE2-CE1 3.42Å; E195-Y228 PolarHBondContact OE2-OH 2.65Å; D223-Y228 HydrophobicContact CB-CE2 4.33Å; D223-Y228 VanDerWaalsContact CB-OH 3.25Å; D223-Y228 WeakPolarHBondContact CB-OH 3.29Å; D223-Y228 PolarHBondContact N-OH 3.26Å; D223-Y228 WeakPolarHBondContact O-CE2 3.39Å; K226-Y228 HydrophobicContact CB-CD2 4.29Å; K226-Y228 HydrophobicContact CB-CE1 4.39Å; K226-Y228 HydrophobicContact CB-CE2 3.66Å; K226-Y228 WeakPolarHBondContact O-CD2 3.19Å; K226-Y228 PolarHBondContact O-N 2.71Å; Y228-Y232 AromaticContact CD1-CD1 3.86Å; Y228-Y232 HydrophobicContact CD1-CD1 3.86Å; Y228-Y232 AromaticContact CD1-CE1 3.94Å; Y228-Y232 HydrophobicContact CD1-CE1 3.94Å; Y228-Y232 HydrophobicContact CE1-CE1 4.21Å; Y228-Y232 HydrophobicContact CG-CD1 4.42Å
229I86.3Confident88.8Confident113 Ų11354.3 Ų54.358%0.57930%0.295SS*.  trans-67.8139.7167.662.6177.4000109.4V231 Y232I229-V231 HydrophobicContact CD1-CG2 3.72Å; I229-V231 HydrophobicContact CG1-CG2 4.01Å; I229-V231 PolarHBondContact O-N 3.33Å; I229-V231 VanDerWaalsContact O-N 3.11Å; I229-Y232 WeakPolarHBondContact O-CB 3.27Å; I229-Y232 PolarHBondContact O-N 2.85Å
230S82.6Confident88.9Confident89 Ų8954.3 Ų54.362%0.62229%0.294SS*.THydrogen-bonded Turntrans-56.7-32.7-175.2176.60000113.6Y232S230-Y232 VanDerWaalsContact C-N 3.31Å; S230-Y232 PolarHBondContact O-N 2.76Å
231V88.6Confident88.8Confident83 Ų8356.8 Ų56.850%0.50331%0.307SS..THydrogen-bonded Turntrans-78.3-10.3-179.9-63.20000114.2I229 R233 S234 L235I229-V231 HydrophobicContact CD1-CG2 3.72Å; I229-V231 HydrophobicContact CG1-CG2 4.01Å; I229-V231 PolarHBondContact O-N 3.33Å; I229-V231 VanDerWaalsContact O-N 3.11Å; V231-R233 PolarHBondContact O-N 3.37Å; V231-S234 WeakPolarHBondContact O-CB 3.36Å; V231-S234 PolarHBondContact O-N 3.48Å; V231-S234 VanDerWaalsContact O-N 3.15Å; V231-L235 HydrophobicContact CG2-CD1 4.17Å; V231-L235 WeakPolarHBondContact O-CG 3.43Å; V231-L235 PolarHBondContact O-N 3.44Å
232Y92Very high88.9Confident18 Ų1861.6 Ų61.67%0.07133%0.331CS..Hα-helixtrans-60.6-48.7-171175.9-115.3000113.1F191 V194 E195 V220 Y228 I229 S230 S234 L235 A236F191-Y232 WeakPolarHBondContact CD1-OH 3.32Å; V194-Y232 HydrophobicContact CB-CE2 4.3Å; V194-Y232 HydrophobicContact CG1-CD2 4.45Å; V194-Y232 HydrophobicContact CG1-CE1 4.07Å; V194-Y232 HydrophobicContact CG1-CE2 3.86Å; V194-Y232 HydrophobicContact CG2-CE2 4.35Å; E195-Y232 WeakPolarHBondContact OE1-CE1 3.5Å; E195-Y232 PolarHBondContact OE1-OH 3.26Å; E195-Y232 VanDerWaalsContact OE1-OH 3.1Å; V220-Y232 HydrophobicContact CB-CE1 3.74Å; V220-Y232 HydrophobicContact CG1-CE1 4.49Å; V220-Y232 HydrophobicContact CG2-CE1 4.42Å; Y228-Y232 AromaticContact CD1-CD1 3.86Å; Y228-Y232 HydrophobicContact CD1-CD1 3.86Å; Y228-Y232 AromaticContact CD1-CE1 3.94Å; Y228-Y232 HydrophobicContact CD1-CE1 3.94Å; Y228-Y232 HydrophobicContact CE1-CE1 4.21Å; Y228-Y232 HydrophobicContact CG-CD1 4.42Å; I229-Y232 WeakPolarHBondContact O-CB 3.27Å; I229-Y232 PolarHBondContact O-N 2.85Å; S230-Y232 VanDerWaalsContact C-N 3.31Å; S230-Y232 PolarHBondContact O-N 2.76Å; Y232-S234 VanDerWaalsContact C-N 3.29Å; Y232-S234 PolarHBondContact O-N 2.92Å; Y232-L235 PolarHBondContact O-N 3.25Å; Y232-A236 PolarHBondContact O-N 2.88Å
233R91.6Very high89.2Confident31 Ų3159.1 Ų59.112%0.11732%0.315CS..Hα-helixtrans-62.8-36.4176.7-70.7-175.7176.1-165.21.4111.5S97 F100 G221 V231 A236 A237S97-R233 VanDerWaalsContact OG-CD 3.26Å; S97-R233 WeakPolarHBondContact OG-CD 3.49Å; S97-R233 PolarHBondContact OG-NH1 3.33Å; F100-R233 HydrophobicContact CB-CB 4.16Å; F100-R233 VanDerWaalsContact CD2-O 3.31Å; F100-R233 WeakPolarHBondContact CD2-O 3.03Å; F100-R233 HydrophobicContact CG-CB 4.48Å; G221-R233 VanDerWaalsContact C-NH2 3.31Å; G221-R233 PolarHBondContact O-NE 3.1Å; G221-R233 PolarHBondContact O-NH2 3.5Å; V231-R233 PolarHBondContact O-N 3.37Å; R233-A236 PolarHBondContact O-N 3.38Å; R233-A237 PolarHBondContact O-N 3.22Å
234S92.6Very high89.4Confident23 Ų2357 Ų5716%0.16130%0.304CS..Hα-helixtrans-66.4-40.9174.3-53.90000112.7G96 V231 Y232 A236 A237 I238G96-S234 WeakPolarHBondContact CA-OG 3.38Å; V231-S234 WeakPolarHBondContact O-CB 3.36Å; V231-S234 PolarHBondContact O-N 3.48Å; V231-S234 VanDerWaalsContact O-N 3.15Å; Y232-S234 VanDerWaalsContact C-N 3.29Å; Y232-S234 PolarHBondContact O-N 2.92Å; S234-A236 VanDerWaalsContact C-N 3.33Å; S234-A237 WeakPolarHBondContact O-CB 3.4Å; S234-A237 PolarHBondContact O-N 3.04Å; S234-I238 WeakPolarHBondContact O-CG1 3.45Å; S234-I238 PolarHBondContact O-N 3.26Å
235L93.7Very high89.8Confident98 Ų9855.9 Ų55.951%0.51330%0.297SS..Hα-helixtrans-63.4-39.9174.5-69.8173.4000111.4V231 Y232 I238 W239V231-L235 HydrophobicContact CG2-CD1 4.17Å; V231-L235 WeakPolarHBondContact O-CG 3.43Å; V231-L235 PolarHBondContact O-N 3.44Å; Y232-L235 PolarHBondContact O-N 3.25Å; L235-I238 PolarHBondContact O-N 3.01Å; L235-W239 PolarHBondContact O-N 3.26Å
236A94.3Very high90.1Very high4 Ų453 Ų533%0.03327%0.272CS..Hα-helixtrans-62.5-43.1173.700000111.6F100 V220 Y232 R233 S234 I238 W239 I240F100-A236 HydrophobicContact CD2-CB 4.29Å; F100-A236 HydrophobicContact CE2-CB 3.94Å; V220-A236 HydrophobicContact CG2-CB 3.72Å; Y232-A236 PolarHBondContact O-N 2.88Å; R233-A236 PolarHBondContact O-N 3.38Å; S234-A236 VanDerWaalsContact C-N 3.33Å; A236-I238 VanDerWaalsContact C-N 3.34Å; A236-I238 PolarHBondContact O-N 3.06Å; A236-W239 PolarHBondContact O-N 2.87Å; A236-I240 VanDerWaalsContact O-CG1 3.31Å; A236-I240 WeakPolarHBondContact O-CG1 3.42Å; A236-I240 PolarHBondContact O-N 3.27Å
237A93.7Very high90.3Very high5 Ų551.9 Ų51.94%0.04127%0.269CS..Hα-helixtrans-59.9-43.1174.800000112.2F99 F100 R233 S234 I240 L241F99-A237 HydrophobicContact CD1-CB 3.87Å; F99-A237 HydrophobicContact CE1-CB 3.72Å; F100-A237 HydrophobicContact CB-CB 4.48Å; F100-A237 HydrophobicContact CD2-CB 3.95Å; R233-A237 PolarHBondContact O-N 3.22Å; S234-A237 WeakPolarHBondContact O-CB 3.4Å; S234-A237 PolarHBondContact O-N 3.04Å; A237-I240 PolarHBondContact O-N 3.24Å; A237-L241 WeakPolarHBondContact O-CG 3.36Å; A237-L241 PolarHBondContact O-N 2.86Å
238I92.8Very high90.4Very high79 Ų7944.1 Ų44.141%0.40524%0.239SC..Hα-helixtrans-62.9-45176.1-67.4164.9000110.5F99 S234 L235 A236 I240 L241 L242F99-I238 HydrophobicContact CE1-CG1 4.47Å; S234-I238 WeakPolarHBondContact O-CG1 3.45Å; S234-I238 PolarHBondContact O-N 3.26Å; L235-I238 PolarHBondContact O-N 3.01Å; A236-I238 VanDerWaalsContact C-N 3.34Å; A236-I238 PolarHBondContact O-N 3.06Å; I238-I240 VanDerWaalsContact C-N 3.34Å; I238-I240 PolarHBondContact O-N 2.97Å; I238-L241 PolarHBondContact O-N 3.31Å; I238-L242 HydrophobicContact CG2-CD1 3.98Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 WeakPolarHBondContact O-CG 3.5Å; I238-L242 PolarHBondContact O-N 2.7Å
239W94.6Very high90.2Very high32 Ų3242.5 Ų42.512%0.12123%0.233CC..Hα-helixtrans-59.2-43.9175.7160.367.7000111.9P187 F191 F205 A206 T209 L210 L235 A236 L241 L242 G243P187-W239 HydrophobicContact CB-CD2 4.16Å; P187-W239 HydrophobicContact CB-CG 4.48Å; P187-W239 HydrophobicContact CB-CZ2 3.95Å; P187-W239 HydrophobicContact CG-CD2 4.31Å; P187-W239 HydrophobicContact CG-CG 4.29Å; P187-W239 HydrophobicContact CG-CZ2 4.14Å; F191-W239 HydrophobicContact CE2-CE3 4.1Å; F191-W239 AromaticContact CE2-CH2 3.7Å; F191-W239 HydrophobicContact CE2-CH2 3.7Å; F191-W239 HydrophobicContact CE2-CZ2 4.19Å; F191-W239 AromaticContact CE2-CZ3 3.65Å; F191-W239 HydrophobicContact CE2-CZ3 3.65Å; F191-W239 HydrophobicContact CZ-CD2 4.21Å; F191-W239 AromaticContact CZ-CE3 3.62Å; F191-W239 HydrophobicContact CZ-CE3 3.62Å; F191-W239 HydrophobicContact CZ-CH2 4.09Å; F191-W239 AromaticContact CZ-CZ3 3.56Å; F191-W239 HydrophobicContact CZ-CZ3 3.56Å; F205-W239 HydrophobicContact CE1-CH2 4.34Å; F205-W239 HydrophobicContact CE1-CZ3 4.03Å; A206-W239 HydrophobicContact CB-CH2 3.97Å; A206-W239 HydrophobicContact CB-CZ2 3.98Å; T209-W239 HydrophobicContact CG2-CH2 4.2Å; T209-W239 HydrophobicContact CG2-CZ3 4.09Å; L210-W239 HydrophobicContact CD1-CZ2 3.78Å; L210-W239 HydrophobicContact CD2-CH2 4.46Å; L210-W239 HydrophobicContact CD2-CZ2 4.18Å; L210-W239 HydrophobicContact CG-CH2 4.24Å; L210-W239 HydrophobicContact CG-CZ2 3.95Å; L235-W239 PolarHBondContact O-N 3.26Å; A236-W239 PolarHBondContact O-N 2.87Å; W239-L241 PolarHBondContact O-N 3.32Å; W239-L242 PolarHBondContact O-N 3.45Å; W239-G243 PolarHBondContact O-N 3.29Å
240I94.6Very high90Very high5 Ų539 Ų393%0.02622%0.216CC..Hα-helixtrans-57.5-48.5175.8-71.3172.9000110.6F100 T107 I109 T209 A236 A237 I238 L242 G243 L244F100-I240 HydrophobicContact CE2-CD1 3.77Å; F100-I240 HydrophobicContact CZ-CD1 4.26Å; T107-I240 HydrophobicContact CG2-CG2 4.36Å; I109-I240 HydrophobicContact CD1-CD1 4.28Å; I109-I240 HydrophobicContact CD1-CG2 3.36Å; T209-I240 HydrophobicContact CG2-CD1 3.61Å; T209-I240 HydrophobicContact CG2-CG1 3.59Å; A236-I240 VanDerWaalsContact O-CG1 3.31Å; A236-I240 WeakPolarHBondContact O-CG1 3.42Å; A236-I240 PolarHBondContact O-N 3.27Å; A237-I240 PolarHBondContact O-N 3.24Å; I238-I240 VanDerWaalsContact C-N 3.34Å; I238-I240 PolarHBondContact O-N 2.97Å; I240-L242 VanDerWaalsContact C-N 3.34Å; I240-L242 PolarHBondContact O-N 3.48Å; I240-G243 PolarHBondContact O-N 2.9Å; I240-L244 HydrophobicContact CG2-CD1 3.85Å; I240-L244 HydrophobicContact CG2-CG 4.35Å; I240-L244 WeakPolarHBondContact O-CB 3.4Å; I240-L244 WeakPolarHBondContact O-CG 3.26Å; I240-L244 PolarHBondContact O-N 2.86Å
241L91.2Very high90Very high52 Ų5241.1 Ų41.127%0.27222%0.219SC..Hα-helixtrans-59.8-44.5178.8-70.9171.8000111.8T107 A237 I238 W239 A245T107-L241 HydrophobicContact CG2-CD2 3.74Å; A237-L241 WeakPolarHBondContact O-CG 3.36Å; A237-L241 PolarHBondContact O-N 2.86Å; I238-L241 PolarHBondContact O-N 3.31Å; W239-L241 PolarHBondContact O-N 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.44Å; L241-A245 PolarHBondContact O-N 2.68Å
242L90.7Very high89.4Confident110 Ų11039.7 Ų39.758%0.57621%0.211SC*.Hα-helixtrans-66.5-40.3177.2-67.8174.7000112.2I238 W239 I240 A245 W246I238-L242 HydrophobicContact CG2-CD1 3.98Å; I238-L242 HydrophobicContact CG2-CG 4.39Å; I238-L242 WeakPolarHBondContact O-CG 3.5Å; I238-L242 PolarHBondContact O-N 2.7Å; W239-L242 PolarHBondContact O-N 3.45Å; I240-L242 VanDerWaalsContact C-N 3.34Å; I240-L242 PolarHBondContact O-N 3.48Å; L242-A245 PolarHBondContact O-N 3.15Å; L242-W246 WeakPolarHBondContact O-CB 3.2Å; L242-W246 PolarHBondContact O-N 3.39Å
243G92.4Very high88.6Confident0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-67.1-42.8178.600000112.4W239 I240 W246 L247W239-G243 PolarHBondContact O-N 3.29Å; I240-G243 PolarHBondContact O-N 2.9Å; G243-W246 WeakPolarHBondContact O-CB 3.44Å; G243-W246 PolarHBondContact O-N 3.45Å; G243-L247 WeakPolarHBondContact O-CG 3.49Å; G243-L247 PolarHBondContact O-N 3.25Å
244L91.1Very high87.9Confident14 Ų1439 Ų397%0.07322%0.218CC..Hα-helixtrans-65.6-40.4174.5-71.7175.1000111.9T107 I109 L140 L210 T212 I240 W246 L247 A248T107-L244 VanDerWaalsContact CB-CD1 3.49Å; T107-L244 HydrophobicContact CG2-CD1 3.45Å; T107-L244 VanDerWaalsContact CG2-CD1 3.45Å; I109-L244 HydrophobicContact CD1-CD1 4.35Å; L140-L244 HydrophobicContact CD2-CB 4.39Å; L210-L244 HydrophobicContact CD2-CG 4.46Å; L210-L244 WeakPolarHBondContact O-CD2 3.34Å; T212-L244 HydrophobicContact CG2-CD1 4.26Å; T212-L244 HydrophobicContact CG2-CD2 3.51Å; I240-L244 HydrophobicContact CG2-CD1 3.85Å; I240-L244 HydrophobicContact CG2-CG 4.35Å; I240-L244 WeakPolarHBondContact O-CB 3.4Å; I240-L244 WeakPolarHBondContact O-CG 3.26Å; I240-L244 PolarHBondContact O-N 2.86Å; L244-W246 VanDerWaalsContact C-N 3.3Å; L244-W246 PolarHBondContact O-N 3.2Å; L244-L247 PolarHBondContact O-N 2.95Å; L244-A248 VanDerWaalsContact O-CB 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 3.45Å
245A88.9Confident87.2Confident8 Ų842 Ų427%0.06624%0.237CC..Hα-helixtrans-57.2-45.2170.600000111.6L140 L143 L241 L242 A248 L249L140-A245 HydrophobicContact CD2-CB 3.93Å; L143-A245 HydrophobicContact CD1-CB 3.48Å; L143-A245 VanDerWaalsContact CD1-CB 3.48Å; L241-A245 WeakPolarHBondContact O-CB 3.44Å; L241-A245 PolarHBondContact O-N 2.68Å; L242-A245 PolarHBondContact O-N 3.15Å; A245-A248 PolarHBondContact O-N 3.38Å; A245-L249 WeakPolarHBondContact O-CD1 3.28Å; A245-L249 WeakPolarHBondContact O-CG 3.38Å; A245-L249 PolarHBondContact O-N 3.35Å; A245-L249 VanDerWaalsContact O-N 3.11Å
246W88.3Confident86.3Confident34 Ų3441.3 Ų41.313%0.12923%0.234CC..Hα-helixtrans-64.2-43.2177.8-169.6-96.4000113.3F175 L176 T180 I183 L242 G243 L244 L249 I250F175-W246 HydrophobicContact CD1-CH2 4.07Å; F175-W246 AromaticContact CE1-CH2 3.52Å; F175-W246 HydrophobicContact CE1-CH2 3.52Å; F175-W246 AromaticContact CE1-CZ3 3.91Å; F175-W246 HydrophobicContact CE1-CZ3 3.91Å; F175-W246 HydrophobicContact CE2-CH2 4.47Å; F175-W246 AromaticContact CZ-CH2 3.76Å; F175-W246 HydrophobicContact CZ-CH2 3.76Å; F175-W246 AromaticContact CZ-CZ3 3.96Å; F175-W246 HydrophobicContact CZ-CZ3 3.96Å; L176-W246 HydrophobicContact CD2-CH2 4.36Å; L176-W246 HydrophobicContact CD2-CZ2 4.22Å; L176-W246 WeakPolarHBondContact O-CZ2 3.46Å; T180-W246 VanDerWaalsContact N-NE1 3.19Å; T180-W246 PolarHBondContact OG1-NE1 3.22Å; I183-W246 HydrophobicContact CD1-CB 3.44Å; I183-W246 VanDerWaalsContact CD1-CB 3.44Å; I183-W246 HydrophobicContact CD1-CD2 3.71Å; I183-W246 HydrophobicContact CD1-CE3 4.23Å; I183-W246 HydrophobicContact CD1-CG 3.33Å; L242-W246 WeakPolarHBondContact O-CB 3.2Å; L242-W246 PolarHBondContact O-N 3.39Å; G243-W246 WeakPolarHBondContact O-CB 3.44Å; G243-W246 PolarHBondContact O-N 3.45Å; L244-W246 VanDerWaalsContact C-N 3.3Å; L244-W246 PolarHBondContact O-N 3.2Å; W246-L249 WeakPolarHBondContact O-CB 3.29Å; W246-L249 PolarHBondContact O-N 2.88Å; W246-I250 VanDerWaalsContact CD1-CD1 3.43Å; W246-I250 HydrophobicContact CG-CD1 4.41Å; W246-I250 WeakPolarHBondContact O-CG1 3.17Å; W246-I250 PolarHBondContact O-N 2.67Å; W246-I250 VanDerWaalsContact O-N 3.13Å
247L87.4Confident85.2Confident43 Ų4342.4 Ų42.423%0.22524%0.239CC..Hα-helixtrans-67.3-39.6176.2-70.9-178000112.2L210 G243 L244 L249 I250 L251L210-L247 HydrophobicContact CB-CD1 3.65Å; L210-L247 VanDerWaalsContact O-CD1 3.26Å; L210-L247 WeakPolarHBondContact O-CD1 3.43Å; G243-L247 WeakPolarHBondContact O-CG 3.49Å; G243-L247 PolarHBondContact O-N 3.25Å; L244-L247 PolarHBondContact O-N 2.95Å; L247-L249 PolarHBondContact O-N 3.07Å; L247-I250 PolarHBondContact O-N 3.4Å; L247-I250 VanDerWaalsContact O-N 3.07Å; L247-L251 WeakPolarHBondContact O-CG 3.16Å; L247-L251 PolarHBondContact O-N 3.1Å
248A84.7Confident84.4Confident32 Ų3248.2 Ų48.226%0.26427%0.269SS..Hα-helixtrans-61.5-26174.300000112.6L140 L244 A245 P252L140-A248 HydrophobicContact CB-CB 4.15Å; L140-A248 HydrophobicContact CD2-CB 4.27Å; L244-A248 VanDerWaalsContact O-CB 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.25Å; L244-A248 PolarHBondContact O-N 3.45Å; A245-A248 PolarHBondContact O-N 3.38Å; A248-P252 WeakPolarHBondContact O-CD 3.31Å; A248-P252 VanDerWaalsContact O-CG 3.29Å; A248-P252 WeakPolarHBondContact O-CG 3.34Å
249L82.5Confident83.8Confident19 Ų1949.8 Ų49.810%0.09927%0.274CS..Hα-helixtrans-74-45.1171.1-67.9162.9000111.7L143 G144 L147 A245 W246 L247 P252 L253L143-L249 WeakPolarHBondContact O-CD2 3.42Å; G144-L249 VanDerWaalsContact CA-CD2 3.43Å; L147-L249 HydrophobicContact CB-CD2 3.5Å; L147-L249 HydrophobicContact CD2-CB 3.94Å; L147-L249 HydrophobicContact CD2-CD1 4.11Å; L147-L249 HydrophobicContact CD2-CD2 3.57Å; L147-L249 HydrophobicContact CD2-CG 4.1Å; L147-L249 HydrophobicContact CG-CD2 4.17Å; A245-L249 WeakPolarHBondContact O-CD1 3.28Å; A245-L249 WeakPolarHBondContact O-CG 3.38Å; A245-L249 PolarHBondContact O-N 3.35Å; A245-L249 VanDerWaalsContact O-N 3.11Å; W246-L249 WeakPolarHBondContact O-CB 3.29Å; W246-L249 PolarHBondContact O-N 2.88Å; L247-L249 PolarHBondContact O-N 3.07Å; L249-P252 WeakPolarHBondContact O-CD 3.49Å; L249-P252 WeakPolarHBondContact O-CG 3.5Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 WeakPolarHBondContact O-CD1 3.15Å; L249-L253 WeakPolarHBondContact O-CG 3.25Å; L249-L253 PolarHBondContact O-N 2.71Å
250I82.6Confident82.7Confident41 Ų4152.5 Ų52.521%0.2129%0.285CS..Hα-helixtrans-71.3-45.5-174.4-71.3169.1000112.6T180 W246 L247 P252 L253 G254T180-I250 HydrophobicContact CG2-CD1 4.31Å; T180-I250 WeakPolarHBondContact OG1-CD1 3.33Å; W246-I250 VanDerWaalsContact CD1-CD1 3.43Å; W246-I250 HydrophobicContact CG-CD1 4.41Å; W246-I250 WeakPolarHBondContact O-CG1 3.17Å; W246-I250 PolarHBondContact O-N 2.67Å; W246-I250 VanDerWaalsContact O-N 3.13Å; L247-I250 PolarHBondContact O-N 3.4Å; L247-I250 VanDerWaalsContact O-N 3.07Å; I250-P252 VanDerWaalsContact C-N 3.35Å; I250-L253 PolarHBondContact O-N 2.98Å; I250-L253 VanDerWaalsContact O-N 3.08Å; I250-G254 PolarHBondContact O-N 3.48Å
251L81.2Confident81.6Confident133 Ų13354.9 Ų54.970%0.69630%0.301SS*.Hα-helixtrans-51-46.3-175.2-71.8173.4000113.4L247 P255L247-L251 WeakPolarHBondContact O-CG 3.16Å; L247-L251 PolarHBondContact O-N 3.1Å; L251-P255 VanDerWaalsContact O-CD 3.24Å; L251-P255 WeakPolarHBondContact O-CD 3.25Å
252P76.8Confident81.1Confident52 Ų5255.3 Ų55.334%0.33831%0.307SS..Hα-helixtrans-82.1-27.4176.129.9-35.2000114.7R148 A248 L249 I250R148-P252 VanDerWaalsContact NH2-CG 3.33Å; A248-P252 WeakPolarHBondContact O-CD 3.31Å; A248-P252 VanDerWaalsContact O-CG 3.29Å; A248-P252 WeakPolarHBondContact O-CG 3.34Å; L249-P252 WeakPolarHBondContact O-CD 3.49Å; L249-P252 WeakPolarHBondContact O-CG 3.5Å; I250-P252 VanDerWaalsContact C-N 3.35Å
253L75.9Confident80.5Confident3 Ų355 Ų552%0.01630%0.303CS..Hα-helixtrans-85.7-32.1-175.6-73.9170.4000113.4L147 R148 L151 L249 I250 L256 L257L147-L253 HydrophobicContact CD2-CD1 3.58Å; L147-L253 HydrophobicContact CG-CD1 4.15Å; R148-L253 HydrophobicContact CG-CD2 4.11Å; L151-L253 HydrophobicContact CD1-CD1 3.9Å; L151-L253 HydrophobicContact CD1-CD2 3.29Å; L151-L253 HydrophobicContact CD1-CG 4.23Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 WeakPolarHBondContact O-CD1 3.15Å; L249-L253 WeakPolarHBondContact O-CG 3.25Å; L249-L253 PolarHBondContact O-N 2.71Å; I250-L253 PolarHBondContact O-N 2.98Å; I250-L253 VanDerWaalsContact O-N 3.08Å; L253-L256 HydrophobicContact CD2-CD2 4.45Å; L253-L256 WeakPolarHBondContact O-CB 3.39Å; L253-L256 PolarHBondContact O-N 2.9Å; L253-L257 WeakPolarHBondContact O-CG 3.44Å; L253-L257 PolarHBondContact O-N 3.35Å
254G75Confident79.6Confident31 Ų3157 Ų5732%0.3231%0.314SS..Hα-helixtrans-55.5-52.9-178.200000113.2I250 L256 L257 L258I250-G254 PolarHBondContact O-N 3.48Å; G254-L256 VanDerWaalsContact C-N 3.31Å; G254-L256 PolarHBondContact O-N 3.41Å; G254-L257 PolarHBondContact O-N 3.24Å; G254-L258 WeakPolarHBondContact O-CB 3.15Å; G254-L258 PolarHBondContact O-N 3.12Å
255P78.9Confident78.8Confident86 Ų8664.5 Ų64.556%0.55834%0.341SS*.Hα-helixtrans-62.5-36.9177.6-23.734.4000113.1L251 L258 H259L251-P255 VanDerWaalsContact O-CD 3.24Å; L251-P255 WeakPolarHBondContact O-CD 3.25Å; P255-L258 PolarHBondContact O-N 2.58Å; P255-H259 WeakPolarHBondContact O-CB 3.41Å; P255-H259 PolarHBondContact O-N 3.1Å
256L74.1Confident78.4Confident85 Ų8569 Ų6945%0.44536%0.363SS..Hα-helixtrans-65.9-44.3178.4-176.967.9000111.5L253 G254 H259 R260L253-L256 HydrophobicContact CD2-CD2 4.45Å; L253-L256 WeakPolarHBondContact O-CB 3.39Å; L253-L256 PolarHBondContact O-N 2.9Å; G254-L256 VanDerWaalsContact C-N 3.31Å; G254-L256 PolarHBondContact O-N 3.41Å; L256-H259 PolarHBondContact O-N 2.91Å; L256-R260 PolarHBondContact O-N 3.19Å
257L71.9Confident77.7Confident26 Ų2671.3 Ų71.314%0.13638%0.378CS..Hα-helixtrans-66.3-43.6175.9-68.4176.3000111.4L172 L176 L253 G254 H259 R260 C261L172-L257 HydrophobicContact CD2-CD1 3.87Å; L172-L257 HydrophobicContact CD2-CD2 3.67Å; L172-L257 HydrophobicContact CD2-CG 4.39Å; L176-L257 HydrophobicContact CD1-CD1 3.56Å; L253-L257 WeakPolarHBondContact O-CG 3.44Å; L253-L257 PolarHBondContact O-N 3.35Å; G254-L257 PolarHBondContact O-N 3.24Å; L257-H259 VanDerWaalsContact C-N 3.29Å; L257-H259 PolarHBondContact O-N 2.9Å; L257-R260 PolarHBondContact O-N 2.66Å; L257-C261 WeakPolarHBondContact O-CB 2.99Å; L257-C261 PolarHBondContact O-N 3.31Å; L257-C261 PolarHBondContact O-SG 3.46Å
258L76.5Confident77Confident128 Ų12872 Ų7267%0.6739%0.386SS*.Hα-helixtrans-58.7-43.4176.2-176.564.5000111.2G254 P255 C261 C262G254-L258 WeakPolarHBondContact O-CB 3.15Å; G254-L258 PolarHBondContact O-N 3.12Å; P255-L258 PolarHBondContact O-N 2.58Å; L258-C261 PolarHBondContact O-N 3.42Å; L258-C262 WeakPolarHBondContact O-CB 3.46Å; L258-C262 PolarHBondContact O-N 3.47Å
259H79.5Confident76.5Confident112 Ų11274.9 Ų74.952%0.51940%0.397SS..Hα-helixtrans-61.9-48.1176.6-171.975.5000112.1P255 L256 L257 C262 Q263P255-H259 WeakPolarHBondContact O-CB 3.41Å; P255-H259 PolarHBondContact O-N 3.1Å; L256-H259 PolarHBondContact O-N 2.91Å; L257-H259 VanDerWaalsContact C-N 3.29Å; L257-H259 PolarHBondContact O-N 2.9Å; H259-C262 WeakPolarHBondContact O-CB 3.32Å; H259-C262 PolarHBondContact O-N 3.27Å; H259-Q263 PolarHBondContact NE2-NE2 3.08Å; H259-Q263 PolarHBondContact O-N 3.43Å
260R72.1Confident75.9Confident89 Ų8983.8 Ų83.834%0.33643%0.429SS..Hα-helixtrans-65.2-40.8178.1-72.5-166.5-172.5-131.32112.6E155 L256 L257 C262 Q263 L264E155-R260 IonicContact OE1-CZ 3.08Å; E155-R260 VanDerWaalsContact OE1-CZ 3.25Å; E155-R260 IonicContact OE1-NH1 2.61Å; E155-R260 PolarHBondContact OE1-NH1 3.46Å; E155-R260 IonicContact OE1-NH2 3.09Å; E155-R260 PolarHBondContact OE1-NH2 3.36Å; E155-R260 IonicContact OE2-NH2 2.66Å; L256-R260 PolarHBondContact O-N 3.19Å; L257-R260 PolarHBondContact O-N 2.66Å; R260-C262 VanDerWaalsContact C-N 3.33Å; R260-C262 PolarHBondContact O-N 2.76Å; R260-Q263 PolarHBondContact O-N 3.33Å; R260-L264 WeakPolarHBondContact O-CB 3.39Å; R260-L264 WeakPolarHBondContact O-CG 3.34Å; R260-L264 PolarHBondContact O-N 2.94Å
261C72.4Confident74.9Confident55 Ų5587.8 Ų87.837%0.37245%0.447SS..Hα-helixtrans-59.9-44.4174.2-75.30000111.3L257 L258 L264 W265L257-C261 WeakPolarHBondContact O-CB 2.99Å; L257-C261 PolarHBondContact O-N 3.31Å; L257-C261 PolarHBondContact O-SG 3.46Å; L258-C261 PolarHBondContact O-N 3.42Å; C261-L264 PolarHBondContact O-N 2.71Å; C261-W265 VanDerWaalsContact O-CB 3.29Å; C261-W265 WeakPolarHBondContact O-CB 3.39Å; C261-W265 PolarHBondContact O-N 2.51Å
262C79.6Confident73.7Confident60 Ų6083.7 Ų83.741%0.40544%0.437SS..Hα-helixtrans-60.9-46176.4-171.90000111.6L258 H259 R260 W265 L266L258-C262 WeakPolarHBondContact O-CB 3.46Å; L258-C262 PolarHBondContact O-N 3.47Å; H259-C262 WeakPolarHBondContact O-CB 3.32Å; H259-C262 PolarHBondContact O-N 3.27Å; R260-C262 VanDerWaalsContact C-N 3.33Å; R260-C262 PolarHBondContact O-N 2.76Å; C262-W265 PolarHBondContact O-N 3.26Å; C262-L266 WeakPolarHBondContact O-CB 3.35Å; C262-L266 VanDerWaalsContact O-CG 3.28Å; C262-L266 WeakPolarHBondContact O-CG 2.96Å; C262-L266 PolarHBondContact O-N 3.11Å
263Q78.7Confident72.5Confident103 Ų10386.1 Ų86.148%0.48145%0.454SS..Hα-helixtrans-61.9-46.1176.4-74.7-165.5-15.800112.9H259 R260 W265 L266 L267H259-Q263 PolarHBondContact NE2-NE2 3.08Å; H259-Q263 PolarHBondContact O-N 3.43Å; R260-Q263 PolarHBondContact O-N 3.33Å; Q263-W265 VanDerWaalsContact C-N 3.32Å; Q263-W265 PolarHBondContact O-N 3.2Å; Q263-L266 PolarHBondContact O-N 3.1Å; Q263-L267 VanDerWaalsContact O-CG 3.32Å; Q263-L267 WeakPolarHBondContact O-CG 3.31Å; Q263-L267 PolarHBondContact O-N 3.49Å
264L72.8Confident71.3Confident44 Ų4488.7 Ų88.723%0.2348%0.481CS..Hα-helixtrans-63.8-38.9178.7-73.7169.7000111.8V166 R260 C261 L267 S268V166-L264 HydrophobicContact CG2-CD1 4.42Å; R260-L264 WeakPolarHBondContact O-CB 3.39Å; R260-L264 WeakPolarHBondContact O-CG 3.34Å; R260-L264 PolarHBondContact O-N 2.94Å; C261-L264 PolarHBondContact O-N 2.71Å; L264-L267 PolarHBondContact O-N 3.18Å; L264-S268 PolarHBondContact O-N 2.63Å
265W76.1Confident70Confident170 Ų17091.1 Ų91.164%0.64450%0.498SS*.Hα-helixtrans-66-45.8175.7-173.938.4000111.8C261 C262 Q263 L267 S268 L269C261-W265 VanDerWaalsContact O-CB 3.29Å; C261-W265 WeakPolarHBondContact O-CB 3.39Å; C261-W265 PolarHBondContact O-N 2.51Å; C262-W265 PolarHBondContact O-N 3.26Å; Q263-W265 VanDerWaalsContact C-N 3.32Å; Q263-W265 PolarHBondContact O-N 3.2Å; W265-L267 VanDerWaalsContact C-N 3.31Å; W265-L267 PolarHBondContact O-N 2.64Å; W265-S268 WeakPolarHBondContact O-CB 3.41Å; W265-S268 PolarHBondContact O-N 3.03Å; W265-S268 PolarHBondContact O-OG 3.29Å; W265-L269 HydrophobicContact CD2-CD1 4.36Å; W265-L269 PolarHBondContact O-N 3.42Å
266L79.6Confident68.4Low102 Ų10296 Ų9653%0.53451%0.511SS..Hα-helixtrans-58.1-42.1174.3-74.5167.2000112.3C262 Q263 S268 L269 R270C262-L266 WeakPolarHBondContact O-CB 3.35Å; C262-L266 VanDerWaalsContact O-CG 3.28Å; C262-L266 WeakPolarHBondContact O-CG 2.96Å; C262-L266 PolarHBondContact O-N 3.11Å; Q263-L266 PolarHBondContact O-N 3.1Å; L266-S268 VanDerWaalsContact C-N 3.31Å; L266-S268 PolarHBondContact O-N 3Å; L266-L269 PolarHBondContact O-N 3.29Å; L266-R270 PolarHBondContact O-N 3.01Å; L266-R270 VanDerWaalsContact O-N 3.08Å
267L73.5Confident67.1Low84 Ų84100.7 Ų100.744%0.4453%0.53SS..Hα-helixtrans-66.7-32.1175.8-70.4169000112.6Q263 L264 W265 Q271Q263-L267 VanDerWaalsContact O-CG 3.32Å; Q263-L267 WeakPolarHBondContact O-CG 3.31Å; Q263-L267 PolarHBondContact O-N 3.49Å; L264-L267 PolarHBondContact O-N 3.18Å; W265-L267 VanDerWaalsContact C-N 3.31Å; W265-L267 PolarHBondContact O-N 2.64Å; L267-Q271 PolarHBondContact O-N 3.42Å
268S72.6Confident66.1Low57 Ų57103.4 Ų103.440%0.39956%0.557SS.*Hα-helixtrans-69.2-38.6174.5760000112.1L264 W265 L266 R270 Q271 G272L264-S268 PolarHBondContact O-N 2.63Å; W265-S268 WeakPolarHBondContact O-CB 3.41Å; W265-S268 PolarHBondContact O-N 3.03Å; W265-S268 PolarHBondContact O-OG 3.29Å; L266-S268 VanDerWaalsContact C-N 3.31Å; L266-S268 PolarHBondContact O-N 3Å; S268-R270 PolarHBondContact O-N 3.21Å; S268-Q271 PolarHBondContact O-N 3.38Å; S268-G272 PolarHBondContact O-N 2.87Å; S268-G272 VanDerWaalsContact O-N 3.08Å
269L75.1Confident64.5Low92 Ų92103.9 Ų103.948%0.48257%0.567SS.*Hα-helixtrans-64.7-39.1175.4-72.1166.4000111.6W265 L266 Q271 G272 C273W265-L269 HydrophobicContact CD2-CD1 4.36Å; W265-L269 PolarHBondContact O-N 3.42Å; L266-L269 PolarHBondContact O-N 3.29Å; L269-Q271 VanDerWaalsContact C-N 3.34Å; L269-Q271 PolarHBondContact O-N 2.99Å; L269-G272 PolarHBondContact O-N 3.41Å; L269-C273 PolarHBondContact O-N 3.08Å; L269-C273 VanDerWaalsContact O-N 3.15Å
270R70Confident62.7Low207 Ų207102 Ų10278%0.78158%0.579SS**Hα-helixtrans-64.6-35.4178.3-150.3174.2-169.4-173.52.5112.8L266 S268 G274L266-R270 PolarHBondContact O-N 3.01Å; L266-R270 VanDerWaalsContact O-N 3.08Å; S268-R270 PolarHBondContact O-N 3.21Å; R270-G274 PolarHBondContact O-N 3.23Å
271Q60.9Low61Low124 Ų124109.6 Ų109.658%0.57961%0.607SS**Hα-helixtrans-76.4-33.4175.2-74.6179.6-36.800112.9L267 S268 L269 C273 G274 A275L267-Q271 PolarHBondContact O-N 3.42Å; S268-Q271 PolarHBondContact O-N 3.38Å; L269-Q271 VanDerWaalsContact C-N 3.34Å; L269-Q271 PolarHBondContact O-N 2.99Å; Q271-C273 VanDerWaalsContact C-N 3.32Å; Q271-C273 PolarHBondContact O-N 2.94Å; Q271-G274 PolarHBondContact O-N 2.92Å; Q271-A275 PolarHBondContact O-N 3.06Å; Q271-A275 VanDerWaalsContact O-N 3.14Å
272G55.9Low59.5Low48 Ų48118.9 Ų118.950%0.49563%0.634SS.*Hα-helixtrans-65.9-29.6173.900000114.1S268 L269S268-G272 PolarHBondContact O-N 2.87Å; S268-G272 VanDerWaalsContact O-N 3.08Å; L269-G272 PolarHBondContact O-N 3.41Å
273C51.9Low57.6Low102 Ų102122 Ų12269%0.68965%0.654SS**Hα-helixtrans-75.7-42.4170.3-99.10000112.7L269 Q271 A275 K276L269-C273 PolarHBondContact O-N 3.08Å; L269-C273 VanDerWaalsContact O-N 3.15Å; Q271-C273 VanDerWaalsContact C-N 3.32Å; Q271-C273 PolarHBondContact O-N 2.94Å; C273-A275 VanDerWaalsContact C-N 3.28Å; C273-A275 PolarHBondContact O-N 2.97Å; C273-K276 PolarHBondContact O-N 3.26Å
274G49.5Very low55.7Low57 Ų57129.1 Ų129.159%0.58868%0.676SS**Hα-helixtrans-68.6-20.7-179.300000115R270 Q271R270-G274 PolarHBondContact O-N 3.23Å; Q271-G274 PolarHBondContact O-N 2.92Å
275A48.5Very low53.9Low82 Ų82131 Ų13168%0.67871%0.707SS**THydrogen-bonded Turntrans-81.1-10.2178.300000114.3Q271 C273Q271-A275 PolarHBondContact O-N 3.06Å; Q271-A275 VanDerWaalsContact O-N 3.14Å; C273-A275 VanDerWaalsContact C-N 3.28Å; C273-A275 PolarHBondContact O-N 2.97Å
276K45.9Very low51.6Low190 Ų190126.9 Ų126.983%0.82672%0.717SS**THydrogen-bonded Turntrans-90.7-4.3-179.9-84.8-174.6175.6-179.30114.8C273C273-K276 PolarHBondContact O-N 3.26Å
277E45.6Very low49.5Very low183 Ų183127.6 Ų127.686%0.85573%0.73SS**SBendtrans-103.416.4-174.5-90.3-172.916800116.5
278A51.4Low47.6Very low83 Ų83130.6 Ų130.669%0.68675%0.752SS**  trans-137.6114169.400000111.2
279P43.8Very low45.8Very low137 Ų137132.4 Ų132.489%0.8977%0.77SS**  -145.1122.48933.7-15000114
280G40.2Very low43.8Very low74 Ų74132.3 Ų132.376%0.76378%0.783SS**  trans-137.1102.9178.700000114
281R36.4Very low41.9Very low247 Ų247134.3 Ų134.393%0.93279%0.791SS**  trans60.1112.2153.8-71.5-178.9178.4-177.3-0.4120.3
282R41.6Very low40.6Very low251 Ų251132 Ų13295%0.94780%0.8SS**  trans-71.4143.2145.3-70.1-177.4-175.5-173.61.1109.9
283P40.6Very low39.5Very low125 Ų125136.2 Ų136.281%0.81282%0.816SS**  trans-104.3142.4148.314.44.2000111.1
284R37.8Very low38.6Very low252 Ų252140.1 Ų140.195%0.95182%0.824SS**  trans-75.2140.9172.6-75.9176.6174.9178.7-2.3110.7
285G34.3Very low37.9Very low85 Ų85143.7 Ų143.788%0.87683%0.834SS**  trans64.9114.8130.700000120
286G29.5Very low37.4Very low82 Ų82145.4 Ų145.485%0.84584%0.837SS**  trans-172.3108159.700000110.6
287S34.8Very low36.9Very low117 Ų117142.3 Ų142.382%0.81884%0.836SS**  trans-79.1130.7177.8174.40000111.2
288T32.7Very low36.5Very low147 Ų147142.2 Ų142.290%0.90284%0.835SS**  trans-161.41391436.70000111.5
289A35.2Very low35.5Very low95 Ų95144.6 Ų144.679%0.78584%0.837SS**  trans-68.5153.4-175.200000114.5
290A32.6Very low35.1Very low91 Ų91147 Ų14775%0.75283%0.834SS**  164.3136.4115.500000113.6
291R30.8Very low35.2Very low249 Ų249148.7 Ų148.794%0.9483%0.831SS**  trans63.4110.5148.9-76.1178.6174.3169.8-1.5119.5
292G33.8Very low35.2Very low75 Ų75144.5 Ų144.577%0.77383%0.825SS**  trans-76.8162.6163.700000113.5
293V31.8Very low34.9Very low136 Ų136138.3 Ų138.382%0.82482%0.82SS**  trans-147.2126.6146.5177.80000106.6V295V293-V295 HydrophobicContact CG1-CG2 3.98Å
294Q34Very low35Very low184 Ų184141.1 Ų141.186%0.8682%0.82SS**  trans-91.6129.9174.5-162.9175.715.800107
295V34.1Very low34.9Very low132 Ų132141.2 Ų141.280%0.882%0.82SS**  trans-131.8115.8171.4-175.60000109.4V293V293-V295 HydrophobicContact CG1-CG2 3.98Å
296T38.3Very low34.9Very low119 Ų119140.5 Ų140.573%0.7381%0.813SS**  trans-78.215817132.70000112.2
297P36.1Very low35.5Very low125 Ų125145.3 Ų145.381%0.81282%0.819SS**  trans-93.4105.6-176.133.9-28000112
298Q36.8Very low35.8Very low180 Ų180143 Ų14384%0.84181%0.813SS**  trans-148.1125.4156.5-71-165.3-10.900108.2
299D30.4Very low36.2Very low134 Ų134145.5 Ų145.572%0.71784%0.837SS**  trans16698.5137.9-79.1-16.1000110.8
300F34.6Very low36.3Very low188 Ų188148.1 Ų148.183%0.82584%0.839SS**  89.8154.8111.7-86.7-90.9000114.5
301P43.4Very low36.5Very low109 Ų109151.1 Ų151.171%0.70884%0.844SS**  cis-139.4175.1-49.435.6-17000115.1
302I37.3Very low36.8Very low158 Ų158145.6 Ų145.681%0.8184%0.839SS**  trans-60.2134.9168.6-63163.7000111.6
303S33.3Very low37Very low121 Ų121149.8 Ų149.885%0.84684%0.842SS**  trans-115.3120.3161.9-175.20000110.4
304K42.6Very low37.3Very low185 Ų185150.6 Ų150.680%0.80484%0.844SS**  trans-122.3135.7165.1-88.4-166.4177-175.90108.9
305R37.2Very low37.5Very low253 Ų253148.4 Ų148.496%0.95584%0.842SS**  trans127.3139.1157.6-76.4-177.3-136.7-161.23.2111.2
306G33.7Very low37.8Very low71 Ų71149.6 Ų149.673%0.73285%0.845SS**  cis-169.6-177.211.800000113.7
307L41.6Very low37.7Very low183 Ų183151.9 Ų151.996%0.95885%0.854SS**  trans-60.5154175.3-76.681.9000113
308G41.3Very low37.9Very low68 Ų68154.2 Ų154.270%0.70186%0.858SS**  trans172.8114.415100000115
309S42.2Very low37.9Very low200 Ų200151.8 Ų151.8100%1.39986%0.859SS**  trans74.10165.5690000119.3

Retrieved 309 of 309 residues in 50.6 ms (Link to these results)