A0A096MK93_RAT Loading...

Solute carrier family 12 member 9

May be an inhibitor of SLC12A1. Seems to correspond to a subunit of a multimeric transport system and thus, additional subunits may be required for its function. May play a role in lysosomal ion flux and osmoregulation.

AlphaFold DB , UniProt , Accession A0A096MK93, Species RAT (Rattus norvegicus, Rat), Gene Slc12a9, Length 447 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
1M37.2Very low36.2Very low251 Ų251136.4 Ų136.4100%1.23677%0.768SS**  0116.90-79.5171.7179.800106.7
2A32.9Very low36Very low103 Ų103144 Ų14485%0.85178%0.775SS**  trans-73.5139.8-164.100000112.3
3S33.1Very low35.8Very low104 Ų104144 Ų14473%0.72777%0.774SS**  trans-76.8116.6172.453.10000110.3N5S3-N5 PolarHBondContact O-N 3.29Å
4E32.9Very low36.2Very low189 Ų189145.4 Ų145.488%0.88378%0.78SS**  trans-72.3108.3168.8-79.2-178.3130.500110.2
5N37.5Very low36Very low153 Ų153140.1 Ų140.182%0.81877%0.772SS**  trans-9095.5164.7-81.6-19.9000108.5S3S3-N5 PolarHBondContact O-N 3.29Å
6S37.7Very low36.2Very low72 Ų72142.6 Ų142.650%0.50378%0.777SS.*  trans-96.6119.6168.453.80000109.9L8S6-L8 PolarHBondContact O-N 3.42Å
7P39.5Very low35.8Very low119 Ų119145.6 Ų145.677%0.77378%0.784SS**THydrogen-bonded Turntrans-736-175.327.4-33.4000114.6
8L37.9Very low36Very low149 Ų149142.6 Ų142.678%0.7879%0.793SS**THydrogen-bonded Turntrans-84.4-21.2-178-73.7170.8000113.7S6S6-L8 PolarHBondContact O-N 3.42Å
9L36.7Very low35.6Very low121 Ų121139.7 Ų139.763%0.63479%0.79SS**SBendtrans-82.9-29.2-175.2-124.5147.4000113Y11L9-Y11 PolarHBondContact O-N 3.47Å
10A36.7Very low35.2Very low69 Ų69137.8 Ų137.857%0.5779%0.792SS**THydrogen-bonded Turntrans-69.2-21.3175.800000113.1
11Y36.3Very low35Very low170 Ų170141 Ų14167%0.66780%0.797SS**THydrogen-bonded Turntrans-78.8-23.2-177.8-156.3-93.9000113.2L9 R100L9-Y11 PolarHBondContact O-N 3.47Å; Y11-R100 PolarHBondContact OH-NH2 3.34Å
12R33.8Very low34.6Very low228 Ų228134.4 Ų134.486%0.8677%0.773SS**THydrogen-bonded Turntrans-83.4-25.4-178.7-110.4-173.4-175.5178.12114
13L33.8Very low34.6Very low144 Ų144135.3 Ų135.375%0.75477%0.77SS**THydrogen-bonded Turntrans-88.4-9-172-76.3166.1000114.7
14L41.2Very low34.6Very low164 Ų164138.4 Ų138.486%0.85978%0.779SS**THydrogen-bonded Turntrans-104.510.4178.1-74.2163.4000113.1
15G32.8Very low34.5Very low65 Ų65133 Ų13367%0.6777%0.774SS**SBendtrans-93.2-7.3-174.600000116
16E38.7Very low34Very low181 Ų181130.7 Ų130.785%0.84678%0.776SS**SBendtrans-132.291.4-178.4-77.7-173.3110.500110.2
17E29.8Very low33.9Very low193 Ų193131.5 Ų131.590%0.90280%0.795SS**  trans-178.7121136.4-101.7179.6162.100109.1A19E17-A19 PolarHBondContact O-N 3.09Å
18G39.3Very low33.2Very low91 Ų91129.3 Ų129.394%0.93880%0.795SS**  trans-65.7119.1172.300000110.4
19A28Very low32.7Very low89 Ų89127.7 Ų127.774%0.73680%0.796SS**  trans-120.4112.116900000109.8E17E17-A19 PolarHBondContact O-N 3.09Å
20A28.8Very low32.3Very low101 Ų101125.6 Ų125.684%0.83580%0.804SS**PPolyproline II helixtrans-58.8131.6168.100000110.5
21F29.8Very low32.2Very low205 Ų205129 Ų12990%0.89982%0.817SS**PPolyproline II helixtrans-69.2130.6172.2-86.1-90.6000110.8
22P28.6Very low32.1Very low112 Ų112125.3 Ų125.373%0.72782%0.821SS**PPolyproline II helixtrans-81157.3169.632.8-31.1000111.3
23P33.8Very low32.4Very low122 Ų122119.5 Ų119.579%0.79282%0.816SS**PPolyproline II helixtrans-88.1147.7-177.434-31.1000113.2
24N33.5Very low33.2Very low169 Ų169116.2 Ų116.290%0.90481%0.809SS**  trans75.6113.9159.8-81.1-7.9000121.7
25G29.9Very low34Very low76 Ų76119.6 Ų119.678%0.78481%0.811SS**  103.1100.7109.400000118.1
26A28.1Very low36.1Very low104 Ų104122.9 Ų122.986%0.8681%0.806SS**  166.3123.4128.900000112
27G34Very low38.1Very low89 Ų89115.5 Ų115.592%0.91877%0.773SS**  trans41.493.7148.400000120.1
28G26.2Very low40.8Very low73 Ų73109.1 Ų109.175%0.75375%0.749SS**  trans-155.3116.5160.400000110.3G30G28-G30 PolarHBondContact O-N 3.13Å
29S26.9Very low43Very low115 Ų115107 Ų10780%0.80472%0.719SS**  trans-35122.4-178530000114.8V31S29-V31 PolarHBondContact O-N 3.29Å
30G28.6Very low45.9Very low78 Ų78107.4 Ų107.480%0.80470%0.704SS**  trans-59.2106.2179.800000112.6G28 A32G28-G30 PolarHBondContact O-N 3.13Å; G30-A32 VanDerWaalsContact C-N 3.34Å; G30-A32 PolarHBondContact O-N 3.11Å; G30-A32 VanDerWaalsContact O-N 3.1Å
31V34.1Very low48.6Very low141 Ų141105.3 Ų105.386%0.85568%0.678SS**  trans-65.5104.3149.3179.70000104.9S29 S33S29-V31 PolarHBondContact O-N 3.29Å; V31-S33 PolarHBondContact O-N 2.95Å
32A34.4Very low51.2Low91 Ų9195.6 Ų95.675%0.75264%0.636SS**  trans-50.4111.1176.200000108.5G30 A34G30-A32 VanDerWaalsContact C-N 3.34Å; G30-A32 PolarHBondContact O-N 3.11Å; G30-A32 VanDerWaalsContact O-N 3.1Å; A32-A34 PolarHBondContact O-N 2.92Å
33S39.5Very low54.1Low107 Ų10790.2 Ų90.275%0.74860%0.601SS**  trans-46.8109.7167165.10000107.4V31 R35V31-S33 PolarHBondContact O-N 2.95Å; S33-R35 PolarHBondContact O-N 2.7Å; S33-R35 VanDerWaalsContact O-N 3.11Å
34A52.2Low56.8Low74 Ų7485 Ų8561%0.61257%0.567SS**  trans-49.8124.4175.900000107.8A32 K36A32-A34 PolarHBondContact O-N 2.92Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.34Å
35R57.7Low59.6Low235 Ų23577 Ų7789%0.88752%0.524SS*.  trans-6792.7-172.9-131.4-179.1-82.4177.5-7.3107.9S33S33-R35 PolarHBondContact O-N 2.7Å; S33-R35 VanDerWaalsContact O-N 3.11Å
36K75.9Confident62.4Low134 Ų13473.4 Ų73.458%0.58349%0.487SS*.PPolyproline II helixtrans-61.3139.8-178.5-61.5-169.1179.4-172.60110.9A34 E290 K292A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.34Å; K36-E290 CarbonylContact C-O 3.12Å; K36-E290 WeakPolarHBondContact CA-O 3.37Å; K36-K292 HydrophobicContact CB-CB 4.13Å
37L80Confident65.4Low27 Ų2768.4 Ų68.414%0.14145%0.446CS..BIsolated β-bridgetrans-70.3144.5-178.6-65.7173.9000111.6A190 M287 E290 L291 K292L37-A190 HydrophobicContact CD1-CB 4.07Å; L37-A190 HydrophobicContact CD2-CB 3.79Å; L37-M287 HydrophobicContact CD1-CE 3.91Å; L37-E290 HydrophobicContact CD1-CB 3.74Å; L37-E290 HydrophobicContact CG-CB 4.23Å; L37-E290 PolarHBondContact N-O 3.06Å; L37-L291 HydrophobicContact CB-CD2 4.22Å; L37-K292 PolarHBondContact O-N 2.96Å
38S86.6Confident68.2Low58 Ų5864.2 Ų64.241%0.40640%0.402SS..PPolyproline II helixtrans-78.1160.217266.30000111.3F40 L41 G42S38-F40 PolarHBondContact O-N 2.89Å; S38-L41 PolarHBondContact O-N 2.97Å; S38-L41 PolarHBondContact OG-N 3.47Å; S38-G42 PolarHBondContact O-N 3.48Å
39T87.2Confident71.2Confident48 Ų4860.8 Ų60.829%0.29437%0.367SS..Hα-helixtrans-53.2-40.7176.6-51.70000112.9V43 V44 A297 L300T39-V43 WeakPolarHBondContact O-CA 3.36Å; T39-V43 WeakPolarHBondContact O-CB 3.25Å; T39-V43 PolarHBondContact O-N 3.21Å; T39-V44 PolarHBondContact O-N 3.45Å; T39-V44 VanDerWaalsContact O-N 3.12Å; T39-A297 HydrophobicContact CG2-CB 3.88Å; T39-A297 VanDerWaalsContact CG2-O 3.3Å; T39-A297 WeakPolarHBondContact CG2-O 3.45Å; T39-A297 WeakPolarHBondContact OG1-CB 3.18Å; T39-L300 HydrophobicContact CG2-CD2 4.07Å
40F88.5Confident74.1Confident96 Ų9655.9 Ų55.942%0.42133%0.332SS..Iπ-helixtrans-67.7-49.6-179.1-176.3-101.4000112.1S38 V44 V45 F194 F197S38-F40 PolarHBondContact O-N 2.89Å; F40-V44 HydrophobicContact CD2-CB 4.01Å; F40-V44 HydrophobicContact CD2-CG1 4.09Å; F40-V44 HydrophobicContact CD2-CG2 4.36Å; F40-V44 HydrophobicContact CE2-CB 4.47Å; F40-V44 HydrophobicContact CE2-CG1 4.1Å; F40-V44 PolarHBondContact O-N 3.1Å; F40-V45 HydrophobicContact CD1-CG2 4.04Å; F40-V45 HydrophobicContact CE1-CG2 3.62Å; F40-V45 HydrophobicContact CE2-CG2 4.4Å; F40-V45 HydrophobicContact CZ-CG2 3.82Å; F40-V45 WeakPolarHBondContact O-CB 3.31Å; F40-V45 WeakPolarHBondContact O-CG2 3.49Å; F40-V45 PolarHBondContact O-N 3.47Å; F40-F194 HydrophobicContact CE1-CD2 4.45Å; F40-F194 HydrophobicContact CE1-CE2 4.07Å; F40-F197 HydrophobicContact CZ-CE1 4.03Å; F40-F197 HydrophobicContact CZ-CZ 4.36Å
41L85.8Confident77Confident58 Ų5852.2 Ų52.230%0.30429%0.294SS..Iπ-helixtrans-76.4-31.6-176.9-67.5176.6000113.3S38 P46 F194S38-L41 PolarHBondContact O-N 2.97Å; S38-L41 PolarHBondContact OG-N 3.47Å; L41-P46 WeakPolarHBondContact O-CD 3.47Å; L41-F194 HydrophobicContact CD2-CB 4.01Å; L41-F194 HydrophobicContact CD2-CD2 3.4Å; L41-F194 VanDerWaalsContact CD2-CD2 3.4Å; L41-F194 HydrophobicContact CD2-CE2 4.03Å; L41-F194 HydrophobicContact CD2-CG 3.77Å
42G83.6Confident79.5Confident0 Ų045.6 Ų45.60%025%0.254CS..Iπ-helixtrans-95.9-20.1-175.200000114.9S38S38-G42 PolarHBondContact O-N 3.48Å
43V89Confident81.7Confident0 Ų041.8 Ų41.80%022%0.222CC..Iπ-helixtrans-124.3-58.8-178.8-171.70000111.7T39 P46 T47 L291 A297 I298 T302T39-V43 WeakPolarHBondContact O-CA 3.36Å; T39-V43 WeakPolarHBondContact O-CB 3.25Å; T39-V43 PolarHBondContact O-N 3.21Å; V43-P46 WeakPolarHBondContact O-CD 3.3Å; V43-T47 WeakPolarHBondContact O-CB 3.39Å; V43-T47 PolarHBondContact O-N 3.41Å; V43-T47 PolarHBondContact O-OG1 3.28Å; V43-L291 HydrophobicContact CG2-CD1 3.51Å; V43-L291 HydrophobicContact CG2-CD2 3.79Å; V43-L291 HydrophobicContact CG2-CG 4.31Å; V43-A297 HydrophobicContact CG2-CB 4.2Å; V43-I298 HydrophobicContact CG2-CG1 4.33Å; V43-T302 HydrophobicContact CG1-CG2 3.98Å
44V92Very high83.5Confident13 Ų1337.5 Ų37.58%0.07919%0.19CC..Iπ-helixtrans-61.5-53.8-173.2179.40000111T39 F40 T47 V48T39-V44 PolarHBondContact O-N 3.45Å; T39-V44 VanDerWaalsContact O-N 3.12Å; F40-V44 HydrophobicContact CD2-CB 4.01Å; F40-V44 HydrophobicContact CD2-CG1 4.09Å; F40-V44 HydrophobicContact CD2-CG2 4.36Å; F40-V44 HydrophobicContact CE2-CB 4.47Å; F40-V44 HydrophobicContact CE2-CG1 4.1Å; F40-V44 PolarHBondContact O-N 3.1Å; V44-T47 PolarHBondContact O-N 3.08Å; V44-V48 HydrophobicContact CG1-CG2 4.09Å; V44-V48 WeakPolarHBondContact O-CB 3.29Å; V44-V48 VanDerWaalsContact O-CG2 3.29Å; V44-V48 WeakPolarHBondContact O-CG2 3.35Å; V44-V48 PolarHBondContact O-N 3.02Å
45V90.9Very high85Confident0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-60.1-52.1-176.7162.50000112.3F40 T47 V48 L49 F194 F197F40-V45 HydrophobicContact CD1-CG2 4.04Å; F40-V45 HydrophobicContact CE1-CG2 3.62Å; F40-V45 HydrophobicContact CE2-CG2 4.4Å; F40-V45 HydrophobicContact CZ-CG2 3.82Å; F40-V45 WeakPolarHBondContact O-CB 3.31Å; F40-V45 WeakPolarHBondContact O-CG2 3.49Å; F40-V45 PolarHBondContact O-N 3.47Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.84Å; V45-V48 PolarHBondContact O-N 2.95Å; V45-L49 HydrophobicContact CG1-CD1 3.81Å; V45-L49 WeakPolarHBondContact O-CB 3.5Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.27Å; V45-F194 HydrophobicContact CG2-CD2 4.44Å; V45-F197 HydrophobicContact CG1-CB 3.82Å; V45-F197 HydrophobicContact CG1-CG 4.23Å; V45-F197 HydrophobicContact CG2-CB 4.41Å; V45-F197 HydrophobicContact CG2-CD1 4.17Å; V45-F197 HydrophobicContact CG2-CD2 4.25Å; V45-F197 HydrophobicContact CG2-CG 4.01Å
46P89.1Confident86.4Confident0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-60.1-39.7176.5-25.634.8000113.2L41 V43 S50 A283 M287L41-P46 WeakPolarHBondContact O-CD 3.47Å; V43-P46 WeakPolarHBondContact O-CD 3.3Å; P46-S50 WeakPolarHBondContact O-CB 3.38Å; P46-S50 PolarHBondContact O-N 3.03Å; P46-A283 HydrophobicContact CB-CB 4.39Å; P46-M287 HydrophobicContact CB-SD 4.25Å; P46-M287 HydrophobicContact CG-SD 3.63Å
47T91.4Very high87Confident0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-68.8-46-179.2-52.20000111.3V43 V44 V45 L49 S50 M51 G284 A305V43-T47 WeakPolarHBondContact O-CB 3.39Å; V43-T47 PolarHBondContact O-N 3.41Å; V43-T47 PolarHBondContact O-OG1 3.28Å; V44-T47 PolarHBondContact O-N 3.08Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.84Å; T47-L49 PolarHBondContact O-N 3.04Å; T47-S50 PolarHBondContact O-N 3.24Å; T47-M51 HydrophobicContact CG2-SD 4.14Å; T47-M51 WeakPolarHBondContact O-CB 3.42Å; T47-M51 WeakPolarHBondContact O-CG 3.48Å; T47-M51 PolarHBondContact O-N 3.45Å; T47-G284 WeakPolarHBondContact OG1-CA 3.47Å; T47-G284 PolarHBondContact OG1-N 3.27Å; T47-A305 HydrophobicContact CG2-CB 3.65Å
48V92.5Very high87.2Confident1 Ų116.7 Ų16.71%0.0069%0.093CC..Hα-helixtrans-61.3-44.9176.3171.60000110.9V44 V45 S50 M51 F52 F197 A305 Y308 T309V44-V48 HydrophobicContact CG1-CG2 4.09Å; V44-V48 WeakPolarHBondContact O-CB 3.29Å; V44-V48 VanDerWaalsContact O-CG2 3.29Å; V44-V48 WeakPolarHBondContact O-CG2 3.35Å; V44-V48 PolarHBondContact O-N 3.02Å; V45-V48 PolarHBondContact O-N 2.95Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 3.48Å; V48-M51 PolarHBondContact O-N 2.9Å; V48-F52 HydrophobicContact CG1-CD2 3.37Å; V48-F52 HydrophobicContact CG1-CE2 3.48Å; V48-F52 VanDerWaalsContact CG1-CE2 3.48Å; V48-F52 HydrophobicContact CG1-CG 4.16Å; V48-F52 HydrophobicContact CG1-CZ 4.33Å; V48-F52 VanDerWaalsContact O-CB 3.26Å; V48-F52 WeakPolarHBondContact O-CB 3.31Å; V48-F52 WeakPolarHBondContact O-CG 3.47Å; V48-F52 PolarHBondContact O-N 3.02Å; V48-F197 HydrophobicContact CB-CE2 4.34Å; V48-F197 HydrophobicContact CG1-CD2 4.35Å; V48-F197 HydrophobicContact CG1-CE2 3.92Å; V48-A305 HydrophobicContact CG2-CB 3.59Å; V48-Y308 HydrophobicContact CG1-CD1 3.93Å; V48-Y308 HydrophobicContact CG1-CE1 3.84Å; V48-Y308 HydrophobicContact CG2-CD1 3.9Å; V48-T309 HydrophobicContact CG1-CG2 4.25Å; V48-T309 HydrophobicContact CG2-CG2 4.45Å
49L90.1Very high87.3Confident1 Ų115.1 Ų15.11%0.0058%0.078CC..Hα-helixtrans-65.7-35.4179.1-75.3170.8000113.1V45 T47 S193 T196 F197 V200 S356V45-L49 HydrophobicContact CG1-CD1 3.81Å; V45-L49 WeakPolarHBondContact O-CB 3.5Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.27Å; T47-L49 PolarHBondContact O-N 3.04Å; L49-S193 WeakPolarHBondContact CD1-O 3.35Å; L49-T196 WeakPolarHBondContact CD1-OG1 3.16Å; L49-F197 HydrophobicContact CD1-CB 4.01Å; L49-F197 HydrophobicContact CD2-CB 4.34Å; L49-F197 HydrophobicContact CG-CB 4.3Å; L49-F197 HydrophobicContact CG-CD2 4.41Å; L49-V200 HydrophobicContact CD2-CB 4.2Å; L49-V200 HydrophobicContact CD2-CG2 4.01Å; L49-S356 WeakPolarHBondContact CD1-OG 3.3Å
50S87.9Confident87.4Confident12 Ų1212.9 Ų12.98%0.0846%0.064CC..Hα-helixtrans-70.7-36.5176.7-163.70000111.9P46 T47 V48 G280P46-S50 WeakPolarHBondContact O-CB 3.38Å; P46-S50 PolarHBondContact O-N 3.03Å; T47-S50 PolarHBondContact O-N 3.24Å; V48-S50 VanDerWaalsContact C-N 3.32Å; V48-S50 PolarHBondContact O-N 3.48Å; S50-G280 WeakPolarHBondContact OG-CA 3.39Å
51M88.8Confident87.4Confident0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-80.2-23.9176.2-68-177.77900113.8T47 V48 S53 Y80 L83 G277 C278 T279 I281 V306 T309 Y313T47-M51 HydrophobicContact CG2-SD 4.14Å; T47-M51 WeakPolarHBondContact O-CB 3.42Å; T47-M51 WeakPolarHBondContact O-CG 3.48Å; T47-M51 PolarHBondContact O-N 3.45Å; V48-M51 PolarHBondContact O-N 2.9Å; M51-S53 PolarHBondContact O-N 3.48Å; M51-Y80 HydrophobicContact CE-CE1 3.98Å; M51-L83 HydrophobicContact CE-CD1 4.24Å; M51-G277 CarbonylContact C-O 3.48Å; M51-C278 WeakPolarHBondContact CE-O 3.28Å; M51-T279 WeakPolarHBondContact CA-O 3.37Å; M51-I281 HydrophobicContact CE-CG2 4.23Å; M51-I281 HydrophobicContact SD-CG2 4.03Å; M51-V306 HydrophobicContact CE-CB 4.49Å; M51-V306 HydrophobicContact CE-CG2 4.01Å; M51-V306 HydrophobicContact SD-CG2 3.82Å; M51-T309 HydrophobicContact CB-CG2 3.81Å; M51-T309 VanDerWaalsContact CE-OG1 3.23Å; M51-T309 WeakPolarHBondContact CE-OG1 3.33Å; M51-T309 HydrophobicContact SD-CG2 4.25Å; M51-Y313 PolarHBondContact O-OH 2.98Å
52F85.9Confident87.5Confident2 Ų25.7 Ų5.71%0.0093%0.031CC..THydrogen-bonded Turntrans-9041.2170.4-74.7-21.8000110.8V48 V56 V200 L204 Y308 T309 I312 Y313 T353V48-F52 HydrophobicContact CG1-CD2 3.37Å; V48-F52 HydrophobicContact CG1-CE2 3.48Å; V48-F52 VanDerWaalsContact CG1-CE2 3.48Å; V48-F52 HydrophobicContact CG1-CG 4.16Å; V48-F52 HydrophobicContact CG1-CZ 4.33Å; V48-F52 VanDerWaalsContact O-CB 3.26Å; V48-F52 WeakPolarHBondContact O-CB 3.31Å; V48-F52 WeakPolarHBondContact O-CG 3.47Å; V48-F52 PolarHBondContact O-N 3.02Å; F52-V56 HydrophobicContact CB-CG1 4.41Å; F52-V56 HydrophobicContact CD1-CG2 4.31Å; F52-V200 HydrophobicContact CD2-CG1 4.44Å; F52-L204 HydrophobicContact CD2-CD1 3.86Å; F52-L204 HydrophobicContact CE2-CD1 3.71Å; F52-L204 HydrophobicContact CZ-CD1 4.27Å; F52-Y308 HydrophobicContact CE2-CD1 4.11Å; F52-Y308 AromaticContact CE2-CE1 3.45Å; F52-Y308 HydrophobicContact CE2-CE1 3.45Å; F52-Y308 VanDerWaalsContact CE2-CE1 3.45Å; F52-Y308 HydrophobicContact CZ-CD1 4.07Å; F52-Y308 AromaticContact CZ-CE1 3.72Å; F52-Y308 HydrophobicContact CZ-CE1 3.72Å; F52-T309 HydrophobicContact CD1-CG2 3.73Å; F52-T309 HydrophobicContact CE1-CG2 3.44Å; F52-T309 VanDerWaalsContact CE1-CG2 3.44Å; F52-T309 HydrophobicContact CE2-CG2 4.34Å; F52-T309 HydrophobicContact CG-CG2 4.28Å; F52-T309 HydrophobicContact CZ-CG2 3.75Å; F52-I312 HydrophobicContact CE1-CB 4.04Å; F52-I312 HydrophobicContact CE1-CG2 3.96Å; F52-I312 HydrophobicContact CZ-CB 3.78Å; F52-I312 HydrophobicContact CZ-CG1 3.89Å; F52-I312 HydrophobicContact CZ-CG2 3.81Å; F52-Y313 HydrophobicContact CD1-CE2 4.27Å; F52-Y313 HydrophobicContact CE1-CE2 4.38Å; F52-T353 WeakPolarHBondContact O-CG2 3.4Å
53S80.4Confident87.9Confident11 Ų115.7 Ų5.78%0.0773%0.031CC..  trans-55.6175.8175.2-172.10000112M51 V55 V56M51-S53 PolarHBondContact O-N 3.48Å; S53-V55 PolarHBondContact O-N 3.39Å; S53-V56 WeakPolarHBondContact O-CG1 3.39Å; S53-V56 PolarHBondContact O-N 2.59Å
54I78.8Confident88.1Confident18 Ų185.7 Ų5.79%0.0923%0.031CC..THydrogen-bonded Turntrans-52.1-22.5-175.6-155.4174.2000113.5V56 F57 L58 G138 I350 A354I54-V56 VanDerWaalsContact C-N 3.26Å; I54-V56 PolarHBondContact O-N 3.17Å; I54-F57 PolarHBondContact O-N 3.26Å; I54-L58 HydrophobicContact CD1-CD1 3.64Å; I54-L58 HydrophobicContact CG1-CD1 3.67Å; I54-L58 HydrophobicContact CG1-CG 4.17Å; I54-L58 PolarHBondContact O-N 2.97Å; I54-G138 VanDerWaalsContact CD1-C 3.42Å; I54-G138 WeakPolarHBondContact CD1-O 3.5Å; I54-I350 HydrophobicContact CD1-CG2 4.19Å; I54-I350 HydrophobicContact CG1-CG2 4.09Å; I54-A354 HydrophobicContact CB-CB 4.36Å; I54-A354 HydrophobicContact CD1-CB 3.93Å; I54-A354 HydrophobicContact CG1-CB 4.29Å
55V82.3Confident88Confident7 Ų75.1 Ų5.14%0.0423%0.027CC..Hα-helixtrans-53.5-38173.7-177.20000112.6S53 F57 R59 I60 G277S53-V55 PolarHBondContact O-N 3.39Å; V55-F57 PolarHBondContact O-N 3.31Å; V55-R59 HydrophobicContact CB-CB 4.12Å; V55-R59 HydrophobicContact CB-CG 4.3Å; V55-R59 HydrophobicContact CG1-CB 3.51Å; V55-R59 HydrophobicContact CG1-CG 4.12Å; V55-R59 HydrophobicContact CG2-CG 4.29Å; V55-R59 WeakPolarHBondContact O-CA 3.26Å; V55-R59 WeakPolarHBondContact O-CB 3.47Å; V55-R59 PolarHBondContact O-N 3.05Å; V55-I60 PolarHBondContact O-N 2.91Å; V55-G277 VanDerWaalsContact CG2-CA 3.44Å
56V88.4Confident88.1Confident0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-62.5-30.7-178.777.80000112.2F52 S53 I54 I60 L204 Y313 L316 F336F52-V56 HydrophobicContact CB-CG1 4.41Å; F52-V56 HydrophobicContact CD1-CG2 4.31Å; S53-V56 WeakPolarHBondContact O-CG1 3.39Å; S53-V56 PolarHBondContact O-N 2.59Å; I54-V56 VanDerWaalsContact C-N 3.26Å; I54-V56 PolarHBondContact O-N 3.17Å; V56-I60 HydrophobicContact CG2-CD1 3.89Å; V56-I60 WeakPolarHBondContact O-CD1 3.4Å; V56-I60 VanDerWaalsContact O-CG1 3.24Å; V56-I60 WeakPolarHBondContact O-CG1 3.44Å; V56-L204 HydrophobicContact CG1-CD2 4.47Å; V56-L204 HydrophobicContact CG2-CD2 4.13Å; V56-Y313 HydrophobicContact CB-CE1 4.3Å; V56-Y313 HydrophobicContact CG2-CE1 4.08Å; V56-L316 HydrophobicContact CG2-CD1 3.81Å; V56-F336 WeakPolarHBondContact O-CE2 3.38Å
57F87.7Confident88.2Confident1 Ų15.1 Ų5.10%0.0043%0.027CC..Hα-helixtrans-97.8-38.9177.9-69.5-75.9000112.7I54 V55 V200 S203 L204 V207 F336 V346 I350I54-F57 PolarHBondContact O-N 3.26Å; V55-F57 PolarHBondContact O-N 3.31Å; F57-V200 HydrophobicContact CE2-CG1 4.41Å; F57-S203 WeakPolarHBondContact CZ-OG 3.35Å; F57-L204 HydrophobicContact CE1-CD2 3.91Å; F57-L204 HydrophobicContact CE1-CG 4.41Å; F57-L204 HydrophobicContact CE2-CD2 4.35Å; F57-L204 HydrophobicContact CZ-CD2 3.69Å; F57-L204 HydrophobicContact CZ-CG 3.82Å; F57-V207 HydrophobicContact CE1-CG2 4.22Å; F57-F336 HydrophobicContact CB-CD2 4.45Å; F57-F336 HydrophobicContact CD1-CD2 4.29Å; F57-F336 WeakPolarHBondContact O-CD2 3.44Å; F57-F336 WeakPolarHBondContact O-CE2 3.45Å; F57-V346 HydrophobicContact CD1-CG1 4.1Å; F57-V346 HydrophobicContact CE1-CG1 4.45Å; F57-I350 HydrophobicContact CB-CD1 4.22Å; F57-I350 HydrophobicContact CB-CG1 3.5Å; F57-I350 VanDerWaalsContact CB-CG1 3.5Å; F57-I350 HydrophobicContact CD1-CG1 4.34Å; F57-I350 HydrophobicContact CD2-CG1 4.18Å; F57-I350 HydrophobicContact CG-CG1 3.77Å
58L85.1Confident88.3Confident24 Ų245.1 Ų5.113%0.1263%0.027CC..Hα-helixtrans-102.9-9.4-169.9-63.6-177.4000115.3I54 S142 Y333 I350I54-L58 HydrophobicContact CD1-CD1 3.64Å; I54-L58 HydrophobicContact CG1-CD1 3.67Å; I54-L58 HydrophobicContact CG1-CG 4.17Å; I54-L58 PolarHBondContact O-N 2.97Å; L58-S142 WeakPolarHBondContact CD1-OG 3.46Å; L58-Y333 WeakPolarHBondContact CA-O 3.5Å; L58-Y333 VanDerWaalsContact O-CB 3.31Å; L58-Y333 WeakPolarHBondContact O-CB 3.14Å; L58-I350 HydrophobicContact CD1-CG2 4.24Å; L58-I350 HydrophobicContact CD2-CD1 4.02Å
59R87.3Confident88.4Confident25 Ų255.6 Ų5.69%0.0943%0.029CC..THydrogen-bonded Turntrans-127.2-10.1-171.5-61.8-66-170.9-116.25.6114.1V55 G61 F62 V63 V273 Y333V55-R59 HydrophobicContact CB-CB 4.12Å; V55-R59 HydrophobicContact CB-CG 4.3Å; V55-R59 HydrophobicContact CG1-CB 3.51Å; V55-R59 HydrophobicContact CG1-CG 4.12Å; V55-R59 HydrophobicContact CG2-CG 4.29Å; V55-R59 WeakPolarHBondContact O-CA 3.26Å; V55-R59 WeakPolarHBondContact O-CB 3.47Å; V55-R59 PolarHBondContact O-N 3.05Å; R59-G61 VanDerWaalsContact C-N 3.29Å; R59-G61 PolarHBondContact O-N 2.85Å; R59-F62 WeakPolarHBondContact O-CB 3.25Å; R59-F62 PolarHBondContact O-N 3.49Å; R59-V63 VanDerWaalsContact O-CG2 3.32Å; R59-V63 WeakPolarHBondContact O-CG2 3.37Å; R59-V63 PolarHBondContact O-N 3.17Å; R59-V273 HydrophobicContact CB-CG1 4.04Å; R59-V273 HydrophobicContact CG-CG1 3.79Å; R59-Y333 VanDerWaalsContact NH1-CG 3.33Å
60I89.8Confident88.6Confident1 Ų110.8 Ų10.81%0.0056%0.057CC..Hα-helixtrans-57.9-45.5172-68.7-169.3000110.8V55 V56 F62 V63 V64 Y313 L316 F317 F336V55-I60 PolarHBondContact O-N 2.91Å; V56-I60 HydrophobicContact CG2-CD1 3.89Å; V56-I60 WeakPolarHBondContact O-CD1 3.4Å; V56-I60 VanDerWaalsContact O-CG1 3.24Å; V56-I60 WeakPolarHBondContact O-CG1 3.44Å; I60-F62 PolarHBondContact O-N 3.34Å; I60-V63 PolarHBondContact O-N 3.17Å; I60-V64 HydrophobicContact CG2-CG2 4.39Å; I60-V64 WeakPolarHBondContact O-CG2 3.2Å; I60-V64 PolarHBondContact O-N 2.95Å; I60-Y313 HydrophobicContact CD1-CD1 4.15Å; I60-Y313 HydrophobicContact CD1-CE1 4.3Å; I60-Y313 HydrophobicContact CG1-CE1 4.48Å; I60-L316 HydrophobicContact CD1-CB 3.61Å; I60-L316 HydrophobicContact CD1-CD1 3.42Å; I60-L316 VanDerWaalsContact CD1-CD1 3.42Å; I60-L316 HydrophobicContact CD1-CG 4.12Å; I60-L316 HydrophobicContact CG2-CB 4.41Å; I60-F317 HydrophobicContact CB-CE1 4.37Å; I60-F317 HydrophobicContact CD1-CE1 4.5Å; I60-F317 HydrophobicContact CG1-CE1 4.09Å; I60-F317 HydrophobicContact CG2-CD1 3.81Å; I60-F317 HydrophobicContact CG2-CE1 3.99Å; I60-F336 HydrophobicContact CB-CE2 4.21Å; I60-F336 HydrophobicContact CB-CZ 4.24Å; I60-F336 HydrophobicContact CD1-CZ 4.43Å; I60-F336 HydrophobicContact CG2-CZ 4.21Å
61G88.6Confident88.9Confident0 Ų012.9 Ų12.90%07%0.065CC..Hα-helixtrans-61-46.417800000111.8R59 V63 V64 G65 L329 F335R59-G61 VanDerWaalsContact C-N 3.29Å; R59-G61 PolarHBondContact O-N 2.85Å; G61-V63 PolarHBondContact O-N 3.29Å; G61-V64 PolarHBondContact O-N 3.02Å; G61-G65 WeakPolarHBondContact O-CA 3.45Å; G61-G65 PolarHBondContact O-N 2.82Å; G61-L329 CarbonylContact C-O 3.33Å; G61-L329 WeakPolarHBondContact O-CB 3.23Å; G61-F335 VanDerWaalsContact CA-CE1 3.48Å
62F89.1Confident89.2Confident4 Ų412.9 Ų12.92%0.0187%0.065CC..Hα-helixtrans-56.6-49.1175.4174-103.7000112.8R59 I60 G65 H66 D258 M265 V270 V273 L329 Y333R59-F62 WeakPolarHBondContact O-CB 3.25Å; R59-F62 PolarHBondContact O-N 3.49Å; I60-F62 PolarHBondContact O-N 3.34Å; F62-G65 PolarHBondContact O-N 3.38Å; F62-H66 AromaticContact CD2-CD2 3.42Å; F62-H66 VanDerWaalsContact CD2-CD2 3.42Å; F62-H66 WeakPolarHBondContact CD2-CD2 3.46Å; F62-H66 AromaticContact CD2-NE2 3.6Å; F62-H66 AromaticContact CE2-CD2 3.54Å; F62-H66 AromaticContact CE2-NE2 3.56Å; F62-H66 PolarHBondContact O-CD2 3Å; F62-H66 VanDerWaalsContact O-CD2 3.24Å; F62-H66 PolarHBondContact O-N 3.47Å; F62-H66 VanDerWaalsContact O-N 3.08Å; F62-D258 HydrophobicContact CE2-CB 4.38Å; F62-M265 HydrophobicContact CE2-CG 3.93Å; F62-M265 HydrophobicContact CE2-SD 4.21Å; F62-M265 HydrophobicContact CZ-CG 3.9Å; F62-M265 HydrophobicContact CZ-SD 3.72Å; F62-V270 HydrophobicContact CE1-CB 4.4Å; F62-V270 HydrophobicContact CE1-CG1 4.35Å; F62-V270 HydrophobicContact CE1-CG2 3.96Å; F62-V270 HydrophobicContact CZ-CG2 4.02Å; F62-V273 HydrophobicContact CD1-CG1 4.22Å; F62-V273 HydrophobicContact CE1-CB 4.25Å; F62-V273 HydrophobicContact CE1-CG1 4.28Å; F62-V273 HydrophobicContact CE1-CG2 4.24Å; F62-L329 PolarHBondContact N-O 2.91Å; F62-Y333 HydrophobicContact CB-CD1 4.08Å; F62-Y333 HydrophobicContact CB-CE1 3.75Å; F62-Y333 AromaticContact CD2-CE1 3.63Å; F62-Y333 HydrophobicContact CD2-CE1 3.63Å; F62-Y333 AromaticContact CG-CE1 3.96Å; F62-Y333 HydrophobicContact CG-CE1 3.96Å
63V91.3Very high89.6Confident0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-63.5-49.7-178.1173.60000110.8R59 I60 G61 A67 A72 V270 L274 F317R59-V63 VanDerWaalsContact O-CG2 3.32Å; R59-V63 WeakPolarHBondContact O-CG2 3.37Å; R59-V63 PolarHBondContact O-N 3.17Å; I60-V63 PolarHBondContact O-N 3.17Å; G61-V63 PolarHBondContact O-N 3.29Å; V63-A67 VanDerWaalsContact O-CB 3.24Å; V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 3.48Å; V63-A72 HydrophobicContact CG1-CB 3.91Å; V63-V270 HydrophobicContact CB-CG1 4.21Å; V63-V270 HydrophobicContact CG1-CG1 4.09Å; V63-V270 HydrophobicContact CG2-CG1 4.04Å; V63-L274 HydrophobicContact CG1-CD2 4.27Å; V63-L274 HydrophobicContact CG2-CB 4.03Å; V63-L274 HydrophobicContact CG2-CD1 4.37Å; V63-F317 HydrophobicContact CB-CZ 4.48Å; V63-F317 HydrophobicContact CG1-CE2 4.33Å; V63-F317 HydrophobicContact CG1-CZ 3.93Å
64V93.4Very high90.3Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-66.9-39.5-180176.30000111.4I60 G61 G68 F317 S321 L329I60-V64 HydrophobicContact CG2-CG2 4.39Å; I60-V64 WeakPolarHBondContact O-CG2 3.2Å; I60-V64 PolarHBondContact O-N 2.95Å; G61-V64 PolarHBondContact O-N 3.02Å; V64-G68 WeakPolarHBondContact O-CA 3.39Å; V64-G68 PolarHBondContact O-N 3.42Å; V64-F317 HydrophobicContact CG2-CB 4.22Å; V64-F317 HydrophobicContact CG2-CD1 3.86Å; V64-F317 HydrophobicContact CG2-CE1 4.35Å; V64-F317 HydrophobicContact CG2-CG 4Å; V64-S321 WeakPolarHBondContact CG1-OG 3.32Å; V64-L329 HydrophobicContact CB-CD1 4.31Å; V64-L329 HydrophobicContact CG1-CD1 3.78Å
65G90.2Very high91Very high0 Ų016.7 Ų16.70%09%0.091CC..Hα-helixtrans-66.3-39-178.500000113.4G61 F62 Q330G61-G65 WeakPolarHBondContact O-CA 3.45Å; G61-G65 PolarHBondContact O-N 2.82Å; F62-G65 PolarHBondContact O-N 3.38Å; G65-Q330 PolarHBondContact O-NE2 2.99Å
66H91.3Very high91.6Very high0 Ų016.4 Ų16.40%09%0.09CC..Hα-helixtrans-88.5-45.7-179.6-73.9-95.5000113F62 G254 Y255 A256 V270F62-H66 AromaticContact CD2-CD2 3.42Å; F62-H66 VanDerWaalsContact CD2-CD2 3.42Å; F62-H66 WeakPolarHBondContact CD2-CD2 3.46Å; F62-H66 AromaticContact CD2-NE2 3.6Å; F62-H66 AromaticContact CE2-CD2 3.54Å; F62-H66 AromaticContact CE2-NE2 3.56Å; F62-H66 PolarHBondContact O-CD2 3Å; F62-H66 VanDerWaalsContact O-CD2 3.24Å; F62-H66 PolarHBondContact O-N 3.47Å; F62-H66 VanDerWaalsContact O-N 3.08Å; H66-G254 CarbonylContact O-C 3.41Å; H66-G254 PolarHBondContact O-N 3Å; H66-Y255 HydrophobicContact CB-CD1 4.06Å; H66-Y255 HydrophobicContact CB-CE1 4.41Å; H66-Y255 PolarHBondContact O-N 3.41Å; H66-A256 PolarHBondContact CE1-O 3.31Å; H66-A256 PolarHBondContact ND1-N 3.44Å; H66-A256 PolarHBondContact ND1-O 2.81Å; H66-V270 HydrophobicContact CB-CG2 3.99Å
67A92.1Very high91.9Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-85.3-22.5-17700000112.8V63 Q71 A72 M75 A253 V270V63-A67 VanDerWaalsContact O-CB 3.24Å; V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 3.48Å; A67-Q71 HydrophobicContact CB-CB 4.1Å; A67-Q71 HydrophobicContact CB-CG 4.44Å; A67-Q71 WeakPolarHBondContact O-CB 3.15Å; A67-Q71 PolarHBondContact O-OE1 3.27Å; A67-A72 HydrophobicContact CB-CB 4.47Å; A67-M75 HydrophobicContact CB-CE 3.82Å; A67-M75 HydrophobicContact CB-SD 4.11Å; A67-A253 VanDerWaalsContact O-CA 3.3Å; A67-A253 WeakPolarHBondContact O-CA 3.2Å; A67-V270 HydrophobicContact CB-CG1 4.32Å
68G93.5Very high92.2Very high0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans74.5168.5-168.900000112.6V64 L70 A72 N250 G252V64-G68 WeakPolarHBondContact O-CA 3.39Å; V64-G68 PolarHBondContact O-N 3.42Å; G68-L70 PolarHBondContact O-N 3.04Å; G68-A72 WeakPolarHBondContact O-CB 3.24Å; G68-A72 PolarHBondContact O-N 3.34Å; G68-N250 CarbonylContact C-O 3.57Å; G68-N250 WeakPolarHBondContact CA-O 3.44Å; G68-G252 VanDerWaalsContact CA-O 3.26Å; G68-G252 WeakPolarHBondContact CA-O 3.4Å
69L94.6Very high92.6Very high12 Ų1223.8 Ų23.86%0.06313%0.131CC..Hα-helixtrans-61.6-47.1-174.7179.659.2000112.7A72 L73 L247 N250 F317 F318 S321L69-A72 PolarHBondContact O-N 2.86Å; L69-L73 HydrophobicContact CD1-CD1 3.87Å; L69-L73 HydrophobicContact CD1-CG 4.01Å; L69-L73 HydrophobicContact CG-CD1 4.08Å; L69-L73 WeakPolarHBondContact O-CB 3.34Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.17Å; L69-L247 HydrophobicContact CD2-CD1 3.73Å; L69-N250 PolarHBondContact N-O 3.04Å; L69-F317 HydrophobicContact CD1-CB 4.26Å; L69-F318 HydrophobicContact CD2-CD2 4.33Å; L69-S321 WeakPolarHBondContact CB-OG 3.47Å; L69-S321 WeakPolarHBondContact CD1-OG 3.34Å
70L94.1Very high92.9Very high110 Ų11023.2 Ų23.258%0.57613%0.129SC*.Hα-helixtrans-65-47.1-175-71.4177.4000111.8G68 L73 A74 L251G68-L70 PolarHBondContact O-N 3.04Å; L70-L73 PolarHBondContact O-N 2.84Å; L70-A74 PolarHBondContact O-N 3.26Å; L70-L251 HydrophobicContact CD1-CD2 3.88Å; L70-L251 HydrophobicContact CD2-CD2 4.38Å; L70-L251 HydrophobicContact CG-CD2 4Å; L70-L251 PolarHBondContact N-O 3.42Å
71Q94.4Very high93.1Very high55 Ų5526.8 Ų26.826%0.25715%0.151SC..Hα-helixtrans-73.4-34.9-178.8-158.5175.117.600111.3A67 A74 M75 Y255 F267A67-Q71 HydrophobicContact CB-CB 4.1Å; A67-Q71 HydrophobicContact CB-CG 4.44Å; A67-Q71 WeakPolarHBondContact O-CB 3.15Å; A67-Q71 PolarHBondContact O-OE1 3.27Å; Q71-A74 PolarHBondContact O-N 3.37Å; Q71-M75 HydrophobicContact CG-CE 4.2Å; Q71-M75 WeakPolarHBondContact O-CB 3.25Å; Q71-M75 VanDerWaalsContact O-CG 3.25Å; Q71-M75 WeakPolarHBondContact O-CG 3.22Å; Q71-M75 PolarHBondContact O-N 3.4Å; Q71-Y255 PolarHBondContact NE2-OH 3.27Å; Q71-Y255 PolarHBondContact OE1-OH 3.32Å; Q71-F267 HydrophobicContact CG-CD2 4.14Å; Q71-F267 HydrophobicContact CG-CE2 3.98Å
72A94.4Very high93.3Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-61.9-43.3172.900000111.9V63 A67 G68 L69 M75 L76 F317V63-A72 HydrophobicContact CG1-CB 3.91Å; A67-A72 HydrophobicContact CB-CB 4.47Å; G68-A72 WeakPolarHBondContact O-CB 3.24Å; G68-A72 PolarHBondContact O-N 3.34Å; L69-A72 PolarHBondContact O-N 2.86Å; A72-M75 PolarHBondContact O-N 3.49Å; A72-L76 WeakPolarHBondContact O-CB 3.45Å; A72-L76 PolarHBondContact O-N 3.17Å; A72-F317 HydrophobicContact CB-CD2 3.87Å; A72-F317 HydrophobicContact CB-CE2 3.82Å
73L95.3Very high93.4Very high59 Ų5929 Ų2931%0.30916%0.162SC..Hα-helixtrans-64.3-40.1174.3-73174.4000112.1L69 L70 L76 L77 I314 F317L69-L73 HydrophobicContact CD1-CD1 3.87Å; L69-L73 HydrophobicContact CD1-CG 4.01Å; L69-L73 HydrophobicContact CG-CD1 4.08Å; L69-L73 WeakPolarHBondContact O-CB 3.34Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.42Å; L69-L73 PolarHBondContact O-N 3.17Å; L70-L73 PolarHBondContact O-N 2.84Å; L73-L76 PolarHBondContact O-N 2.98Å; L73-L77 WeakPolarHBondContact O-CB 3.48Å; L73-L77 PolarHBondContact O-N 3.33Å; L73-I314 HydrophobicContact CD2-CG1 4.19Å; L73-I314 HydrophobicContact CD2-CG2 4.45Å; L73-F317 HydrophobicContact CD2-CD2 4.35Å
74A94.8Very high93.5Very high50 Ų5031 Ų3141%0.41318%0.179SC..Hα-helixtrans-63.9-44.6175.100000112L70 Q71 L76 L77 V78L70-A74 PolarHBondContact O-N 3.26Å; Q71-A74 PolarHBondContact O-N 3.37Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 3.16Å; A74-L77 PolarHBondContact O-N 3.39Å; A74-V78 WeakPolarHBondContact O-CG2 3.19Å; A74-V78 PolarHBondContact O-N 3.03Å
75M94.1Very high93.5Very high2 Ų235.7 Ų35.71%0.0120%0.204CC..Hα-helixtrans-59.8-44.6174.2-73.3175.2-178.800111.5A67 Q71 A72 V78 A79 Y255 F267 V270 F271 L274A67-M75 HydrophobicContact CB-CE 3.82Å; A67-M75 HydrophobicContact CB-SD 4.11Å; Q71-M75 HydrophobicContact CG-CE 4.2Å; Q71-M75 WeakPolarHBondContact O-CB 3.25Å; Q71-M75 VanDerWaalsContact O-CG 3.25Å; Q71-M75 WeakPolarHBondContact O-CG 3.22Å; Q71-M75 PolarHBondContact O-N 3.4Å; A72-M75 PolarHBondContact O-N 3.49Å; M75-V78 PolarHBondContact O-N 2.91Å; M75-A79 WeakPolarHBondContact O-CB 3.17Å; M75-A79 PolarHBondContact O-N 3.4Å; M75-Y255 WeakPolarHBondContact CE-OH 3.12Å; M75-F267 HydrophobicContact CE-CD2 3.11Å; M75-F267 HydrophobicContact CE-CE2 3.3Å; M75-F267 HydrophobicContact CE-CG 3.93Å; M75-F267 HydrophobicContact CE-CZ 4.22Å; M75-F267 HydrophobicContact CG-CD2 4.41Å; M75-F267 HydrophobicContact CG-CE2 3.58Å; M75-F267 HydrophobicContact CG-CZ 3.92Å; M75-F267 HydrophobicContact SD-CE2 4.27Å; M75-V270 HydrophobicContact CE-CB 4.23Å; M75-V270 HydrophobicContact CE-CG1 4.22Å; M75-V270 HydrophobicContact SD-CG1 4.11Å; M75-F271 HydrophobicContact CB-CD2 4.06Å; M75-F271 HydrophobicContact CG-CD2 4.17Å; M75-F271 HydrophobicContact SD-CB 4.45Å; M75-L274 HydrophobicContact CB-CD2 3.75Å
76L94.4Very high93.6Very high1 Ų135.7 Ų35.71%0.00520%0.204CC..Hα-helixtrans-61.8-44.8177.6-171.572.8000110.9A72 L73 A74 A79 Y80 L274 F310 Y313 I314 F317A72-L76 WeakPolarHBondContact O-CB 3.45Å; A72-L76 PolarHBondContact O-N 3.17Å; L73-L76 PolarHBondContact O-N 2.98Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 3.16Å; L76-A79 PolarHBondContact O-N 3Å; L76-Y80 HydrophobicContact CD1-CD2 3.73Å; L76-Y80 HydrophobicContact CD1-CE2 3.53Å; L76-Y80 HydrophobicContact CG-CD2 3.93Å; L76-Y80 HydrophobicContact CG-CE2 4.14Å; L76-Y80 WeakPolarHBondContact O-CB 3.32Å; L76-Y80 WeakPolarHBondContact O-CD2 3.42Å; L76-Y80 PolarHBondContact O-N 3.47Å; L76-L274 HydrophobicContact CB-CD2 4.48Å; L76-L274 HydrophobicContact CD1-CD1 4.38Å; L76-F310 HydrophobicContact CD2-CD2 4.38Å; L76-F310 HydrophobicContact CD2-CE2 4.3Å; L76-F310 HydrophobicContact CG-CD2 4.46Å; L76-F310 HydrophobicContact CG-CE2 4.36Å; L76-Y313 HydrophobicContact CD1-CG 4.21Å; L76-I314 HydrophobicContact CD2-CG1 3.66Å; L76-F317 HydrophobicContact CB-CE2 4.08Å; L76-F317 HydrophobicContact CD1-CE2 4.34Å; L76-F317 HydrophobicContact CD2-CD2 4.28Å; L76-F317 HydrophobicContact CD2-CE2 4.2Å; L76-F317 HydrophobicContact CG-CE2 4.45Å
77L95Very high93.7Very high100 Ų10036 Ų3652%0.52421%0.206SC..Hα-helixtrans-60.3-47.6177.2-175.270.4000111.1L73 A74 A79 Y80 V81L73-L77 WeakPolarHBondContact O-CB 3.48Å; L73-L77 PolarHBondContact O-N 3.33Å; A74-L77 PolarHBondContact O-N 3.39Å; L77-A79 PolarHBondContact O-N 3.31Å; L77-Y80 PolarHBondContact O-N 3.33Å; L77-V81 WeakPolarHBondContact O-CB 3.09Å; L77-V81 VanDerWaalsContact O-CG2 3.25Å; L77-V81 WeakPolarHBondContact O-CG2 3.38Å; L77-V81 PolarHBondContact O-N 3.46Å
78V94Very high93.7Very high80 Ų8041 Ų4149%0.48523%0.232SC..Hα-helixtrans-59.9-46.4176.9171.80000110.9A74 M75 Y80 V81 I82 F271A74-V78 WeakPolarHBondContact O-CG2 3.19Å; A74-V78 PolarHBondContact O-N 3.03Å; M75-V78 PolarHBondContact O-N 2.91Å; V78-Y80 PolarHBondContact O-N 3.05Å; V78-V81 PolarHBondContact O-N 3.36Å; V78-I82 HydrophobicContact CG1-CD1 4.18Å; V78-I82 WeakPolarHBondContact O-CG1 3.35Å; V78-I82 PolarHBondContact O-N 3.03Å; V78-I82 VanDerWaalsContact O-N 3.1Å; V78-F271 HydrophobicContact CG1-CE2 4.33Å; V78-F271 HydrophobicContact CG1-CZ 4.45Å
79A92.4Very high93.6Very high0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-59.8-47177.800000111.7M75 L76 L77 V81 I82 L83 F271 F275M75-A79 WeakPolarHBondContact O-CB 3.17Å; M75-A79 PolarHBondContact O-N 3.4Å; L76-A79 PolarHBondContact O-N 3Å; L77-A79 PolarHBondContact O-N 3.31Å; A79-V81 PolarHBondContact O-N 3.42Å; A79-I82 WeakPolarHBondContact O-CB 3.35Å; A79-I82 PolarHBondContact O-N 2.89Å; A79-L83 VanDerWaalsContact O-CG 3.3Å; A79-L83 WeakPolarHBondContact O-CG 3.47Å; A79-L83 PolarHBondContact O-N 2.63Å; A79-F271 HydrophobicContact CB-CE2 4.15Å; A79-F275 HydrophobicContact CB-CD2 3.93Å
80Y93.8Very high93.3Very high13 Ų1341.9 Ų41.95%0.05124%0.238CC..Hα-helixtrans-71.9-26.8-179.8-89.4-94.7000113.7M51 L76 L77 V78 A84 C278 V306 T309 F310 Y313M51-Y80 HydrophobicContact CE-CE1 3.98Å; L76-Y80 HydrophobicContact CD1-CD2 3.73Å; L76-Y80 HydrophobicContact CD1-CE2 3.53Å; L76-Y80 HydrophobicContact CG-CD2 3.93Å; L76-Y80 HydrophobicContact CG-CE2 4.14Å; L76-Y80 WeakPolarHBondContact O-CB 3.32Å; L76-Y80 WeakPolarHBondContact O-CD2 3.42Å; L76-Y80 PolarHBondContact O-N 3.47Å; L77-Y80 PolarHBondContact O-N 3.33Å; V78-Y80 PolarHBondContact O-N 3.05Å; Y80-A84 WeakPolarHBondContact O-CB 3.23Å; Y80-A84 PolarHBondContact O-N 3.21Å; Y80-C278 HydrophobicContact CE2-CB 4.26Å; Y80-V306 HydrophobicContact CD1-CG1 3.83Å; Y80-V306 HydrophobicContact CE1-CG1 3.84Å; Y80-V306 WeakPolarHBondContact CE1-O 3.47Å; Y80-T309 WeakPolarHBondContact OH-CB 3.13Å; Y80-T309 PolarHBondContact OH-OG1 3.08Å; Y80-F310 HydrophobicContact CD1-CB 3.75Å; Y80-F310 AromaticContact CD1-CD2 3.64Å; Y80-F310 HydrophobicContact CD1-CD2 3.64Å; Y80-F310 HydrophobicContact CD1-CG 4.02Å; Y80-F310 AromaticContact CD2-CD2 3.66Å; Y80-F310 HydrophobicContact CD2-CD2 3.66Å; Y80-F310 HydrophobicContact CD2-CE2 4.28Å; Y80-F310 HydrophobicContact CE1-CB 3.46Å; Y80-F310 VanDerWaalsContact CE1-CB 3.46Å; Y80-F310 HydrophobicContact CE1-CD2 4.03Å; Y80-F310 HydrophobicContact CE1-CG 4.19Å; Y80-F310 HydrophobicContact CE2-CD2 4.03Å; Y80-F310 HydrophobicContact CG-CB 4.41Å; Y80-F310 AromaticContact CG-CD2 3.44Å; Y80-F310 HydrophobicContact CG-CD2 3.44Å; Y80-F310 VanDerWaalsContact CG-CD2 3.44Å; Y80-F310 HydrophobicContact CG-CE2 4.04Å; Y80-F310 HydrophobicContact CG-CG 4.27Å; Y80-F310 PolarHBondContact OH-N 3.38Å; Y80-Y313 HydrophobicContact CE2-CD2 4.28Å; Y80-Y313 VanDerWaalsContact OH-CD2 3.28Å; Y80-Y313 WeakPolarHBondContact OH-CD2 3.42Å
81V94.1Very high93Very high76 Ų7637.2 Ų37.246%0.46122%0.215SC..Hα-helixtrans-64.5-47.1169.21670000110.3L77 V78 A79 L83 A84 L85L77-V81 WeakPolarHBondContact O-CB 3.09Å; L77-V81 VanDerWaalsContact O-CG2 3.25Å; L77-V81 WeakPolarHBondContact O-CG2 3.38Å; L77-V81 PolarHBondContact O-N 3.46Å; V78-V81 PolarHBondContact O-N 3.36Å; A79-V81 PolarHBondContact O-N 3.42Å; V81-L83 VanDerWaalsContact C-N 3.34Å; V81-L83 PolarHBondContact O-N 3.13Å; V81-A84 PolarHBondContact O-N 3.12Å; V81-L85 HydrophobicContact CG1-CD1 4.31Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.46Å
82I92.4Very high92.7Very high50 Ų5036.3 Ų36.326%0.25622%0.216SC..Hα-helixtrans-57.4-50.2175.4-64.9164.6000109.8V78 A79 A84 L85 T86 F275 L426V78-I82 HydrophobicContact CG1-CD1 4.18Å; V78-I82 WeakPolarHBondContact O-CG1 3.35Å; V78-I82 PolarHBondContact O-N 3.03Å; V78-I82 VanDerWaalsContact O-N 3.1Å; A79-I82 WeakPolarHBondContact O-CB 3.35Å; A79-I82 PolarHBondContact O-N 2.89Å; I82-A84 VanDerWaalsContact C-N 3.35Å; I82-A84 PolarHBondContact O-N 3.02Å; I82-L85 PolarHBondContact O-N 3.28Å; I82-T86 PolarHBondContact O-N 2.84Å; I82-T86 VanDerWaalsContact O-N 3.13Å; I82-T86 PolarHBondContact O-OG1 2.95Å; I82-T86 VanDerWaalsContact O-OG1 3.12Å; I82-F275 HydrophobicContact CB-CE2 4.47Å; I82-F275 HydrophobicContact CD1-CE2 4.45Å; I82-F275 HydrophobicContact CG2-CE2 4.2Å; I82-F275 HydrophobicContact CG2-CZ 4.41Å; I82-L426 HydrophobicContact CG2-CD2 4.42Å
83L92.7Very high92.3Very high0 Ų036.3 Ų36.30%022%0.217CC..Hα-helixtrans-63.5-38.7179.8-65.4171.9000112.6M51 A79 V81 T86 V87 C278 I281 Y429M51-L83 HydrophobicContact CE-CD1 4.24Å; A79-L83 VanDerWaalsContact O-CG 3.3Å; A79-L83 WeakPolarHBondContact O-CG 3.47Å; A79-L83 PolarHBondContact O-N 2.63Å; V81-L83 VanDerWaalsContact C-N 3.34Å; V81-L83 PolarHBondContact O-N 3.13Å; L83-T86 PolarHBondContact O-N 3.14Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.48Å; L83-V87 PolarHBondContact O-N 3.04Å; L83-C278 HydrophobicContact CD1-CB 3.7Å; L83-C278 VanDerWaalsContact CD1-O 3.23Å; L83-C278 WeakPolarHBondContact CD1-O 3.29Å; L83-I281 HydrophobicContact CD2-CD1 4.38Å; L83-I281 HydrophobicContact CD2-CG2 4.09Å; L83-Y429 HydrophobicContact CD2-CD2 4.39Å; L83-Y429 HydrophobicContact CD2-CE2 3.81Å
84A92.9Very high91.9Very high42 Ų4233.5 Ų33.535%0.34720%0.202SC..Hα-helixtrans-64.9-42.8179.100000111.5Y80 V81 I82 V87 L88Y80-A84 WeakPolarHBondContact O-CB 3.23Å; Y80-A84 PolarHBondContact O-N 3.21Å; V81-A84 PolarHBondContact O-N 3.12Å; I82-A84 VanDerWaalsContact C-N 3.35Å; I82-A84 PolarHBondContact O-N 3.02Å; A84-V87 PolarHBondContact O-N 2.92Å; A84-L88 VanDerWaalsContact O-CG 3.3Å; A84-L88 WeakPolarHBondContact O-CG 3.33Å; A84-L88 PolarHBondContact O-N 3.46Å
85L93.1Very high91.4Very high100 Ų10035.5 Ų35.552%0.52421%0.209SC..Hα-helixtrans-58.4-49174.3-68.5172.7000110.7V81 I82 V87 L88 S89V81-L85 HydrophobicContact CG1-CD1 4.31Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.46Å; I82-L85 PolarHBondContact O-N 3.28Å; L85-V87 VanDerWaalsContact C-N 3.35Å; L85-V87 PolarHBondContact O-N 3.4Å; L85-L88 PolarHBondContact O-N 2.84Å; L85-S89 PolarHBondContact O-N 3.32Å; L85-S89 PolarHBondContact O-OG 3.4Å
86T92.6Very high90.7Very high0 Ų037.4 Ų37.40%022%0.219CC..Hα-helixtrans-64.8-37.3178.3-46.70000113.4I82 L83 L88 S89 V90 I281 Y429 D433I82-T86 PolarHBondContact O-N 2.84Å; I82-T86 VanDerWaalsContact O-N 3.13Å; I82-T86 PolarHBondContact O-OG1 2.95Å; I82-T86 VanDerWaalsContact O-OG1 3.12Å; L83-T86 PolarHBondContact O-N 3.14Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-S89 PolarHBondContact O-N 2.82Å; T86-V90 HydrophobicContact CG2-CG2 4.44Å; T86-V90 WeakPolarHBondContact O-CB 3.44Å; T86-V90 VanDerWaalsContact O-CG2 3.27Å; T86-V90 WeakPolarHBondContact O-CG2 3.46Å; T86-V90 PolarHBondContact O-N 3.04Å; T86-I281 HydrophobicContact CG2-CD1 3.85Å; T86-Y429 HydrophobicContact CG2-CD1 3.68Å; T86-Y429 HydrophobicContact CG2-CE1 4.44Å; T86-Y429 HydrophobicContact CG2-CG 3.91Å; T86-D433 WeakPolarHBondContact CA-OD1 3.46Å; T86-D433 PolarHBondContact OG1-OD2 3.39Å
87V92.4Very high89.5Confident6 Ų639.9 Ų39.94%0.03625%0.245CC..Hα-helixtrans-62.4-43.8174.7169.40000110.3L83 A84 L85 V90 C91 I281 I303 V306L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.48Å; L83-V87 PolarHBondContact O-N 3.04Å; A84-V87 PolarHBondContact O-N 2.92Å; L85-V87 VanDerWaalsContact C-N 3.35Å; L85-V87 PolarHBondContact O-N 3.4Å; V87-V90 PolarHBondContact O-N 3.41Å; V87-C91 WeakPolarHBondContact O-CB 3.37Å; V87-C91 PolarHBondContact O-N 3.43Å; V87-C91 PolarHBondContact O-SG 3.09Å; V87-I281 HydrophobicContact CG2-CB 4.17Å; V87-I281 HydrophobicContact CG2-CD1 3.85Å; V87-I281 HydrophobicContact CG2-CG2 4.1Å; V87-I303 HydrophobicContact CG1-CG1 3.89Å; V87-V306 HydrophobicContact CG2-CG2 3.92Å
88L92Very high88.1Confident106 Ų10639.1 Ų39.156%0.55525%0.253SS*.Hα-helixtrans-62.7-43.5177.2-69.1173000111.7A84 L85 T86 V90 C91 A92A84-L88 VanDerWaalsContact O-CG 3.3Å; A84-L88 WeakPolarHBondContact O-CG 3.33Å; A84-L88 PolarHBondContact O-N 3.46Å; L85-L88 PolarHBondContact O-N 2.84Å; T86-L88 VanDerWaalsContact C-N 3.34Å; L88-V90 PolarHBondContact O-N 3.46Å; L88-C91 WeakPolarHBondContact O-CB 3.25Å; L88-C91 PolarHBondContact O-N 2.8Å; L88-C91 VanDerWaalsContact O-N 3.17Å; L88-A92 PolarHBondContact O-N 2.78Å
89S91.3Very high86.7Confident17 Ų1736.3 Ų36.312%0.11924%0.236CC..Hα-helixtrans-60.3-45.6174.8-56.20000112L85 T86 C91 A92 I93 D433L85-S89 PolarHBondContact O-N 3.32Å; L85-S89 PolarHBondContact O-OG 3.4Å; T86-S89 PolarHBondContact O-N 2.82Å; S89-C91 VanDerWaalsContact C-N 3.3Å; S89-C91 PolarHBondContact O-N 3.37Å; S89-A92 PolarHBondContact O-N 3.26Å; S89-I93 WeakPolarHBondContact O-CD1 3.3Å; S89-I93 VanDerWaalsContact O-CG1 3.28Å; S89-I93 WeakPolarHBondContact O-CG1 3.19Å; S89-I93 PolarHBondContact O-N 3.32Å; S89-D433 WeakPolarHBondContact CB-OD1 3.12Å; S89-D433 PolarHBondContact OG-OD1 3.14Å
90V89Confident85.3Confident13 Ų1343.1 Ų43.18%0.07926%0.262CS..Hα-helixtrans-64.7-35.4175.71730000111.3T86 V87 L88 I93 A94 M282 V432T86-V90 HydrophobicContact CG2-CG2 4.44Å; T86-V90 WeakPolarHBondContact O-CB 3.44Å; T86-V90 VanDerWaalsContact O-CG2 3.27Å; T86-V90 WeakPolarHBondContact O-CG2 3.46Å; T86-V90 PolarHBondContact O-N 3.04Å; V87-V90 PolarHBondContact O-N 3.41Å; L88-V90 PolarHBondContact O-N 3.46Å; V90-I93 PolarHBondContact O-N 3.5Å; V90-A94 VanDerWaalsContact O-CB 3.25Å; V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 3.42Å; V90-M282 HydrophobicContact CG2-CE 3.95Å; V90-V432 HydrophobicContact CG2-CG1 4.19Å
91C88.8Confident83.7Confident12 Ų1245.1 Ų45.18%0.08129%0.287CS..Hα-helixtrans-64.1-46.3174.8-68.70000111.2V87 L88 S89 I93 A94 T95 P299V87-C91 WeakPolarHBondContact O-CB 3.37Å; V87-C91 PolarHBondContact O-N 3.43Å; V87-C91 PolarHBondContact O-SG 3.09Å; L88-C91 WeakPolarHBondContact O-CB 3.25Å; L88-C91 PolarHBondContact O-N 2.8Å; L88-C91 VanDerWaalsContact O-N 3.17Å; S89-C91 VanDerWaalsContact C-N 3.3Å; S89-C91 PolarHBondContact O-N 3.37Å; C91-I93 VanDerWaalsContact C-N 3.34Å; C91-I93 PolarHBondContact O-N 3.46Å; C91-A94 PolarHBondContact O-N 2.94Å; C91-T95 WeakPolarHBondContact O-CG2 3.28Å; C91-T95 PolarHBondContact O-N 3.49Å; C91-T95 PolarHBondContact O-OG1 3.03Å; C91-P299 HydrophobicContact CB-CB 3.96Å; C91-P299 HydrophobicContact CB-CG 4.18Å; C91-P299 WeakPolarHBondContact SG-CA 3.35Å; C91-P299 VanDerWaalsContact SG-CB 3.56Å
92A87.9Confident82.2Confident35 Ų3542.1 Ų42.129%0.28927%0.271SS..Hα-helixtrans-57.5-48.6176.300000110.7L88 S89 A94 T95 N96L88-A92 PolarHBondContact O-N 2.78Å; S89-A92 PolarHBondContact O-N 3.26Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 2.65Å; A92-T95 WeakPolarHBondContact CA-OG1 3.46Å; A92-T95 PolarHBondContact O-N 2.96Å; A92-T95 PolarHBondContact O-OG1 2.91Å; A92-N96 VanDerWaalsContact O-CB 3.31Å; A92-N96 WeakPolarHBondContact O-CB 3.3Å; A92-N96 PolarHBondContact O-N 3.21Å; A92-N96 VanDerWaalsContact O-N 3.08Å
93I86.4Confident81.5Confident1 Ų139.9 Ų39.91%0.00526%0.26CS..Hα-helixtrans-60.4-40.6175.9-68.4164.1000111.7S89 V90 C91 T95 N96 M107 I108 T111 V432 F447S89-I93 WeakPolarHBondContact O-CD1 3.3Å; S89-I93 VanDerWaalsContact O-CG1 3.28Å; S89-I93 WeakPolarHBondContact O-CG1 3.19Å; S89-I93 PolarHBondContact O-N 3.32Å; V90-I93 PolarHBondContact O-N 3.5Å; C91-I93 VanDerWaalsContact C-N 3.34Å; C91-I93 PolarHBondContact O-N 3.46Å; I93-T95 VanDerWaalsContact C-N 3.34Å; I93-T95 PolarHBondContact O-N 3.24Å; I93-N96 PolarHBondContact O-N 3.45Å; I93-M107 HydrophobicContact CG2-CB 4.49Å; I93-M107 HydrophobicContact CG2-CG 3.65Å; I93-M107 HydrophobicContact CG2-SD 3.88Å; I93-I108 HydrophobicContact CG2-CG1 4.49Å; I93-T111 HydrophobicContact CG2-CG2 4.06Å; I93-T111 WeakPolarHBondContact CG2-OG1 3.28Å; I93-V432 HydrophobicContact CD1-CG1 3.98Å; I93-F447 HydrophobicContact CG1-CE2 4.22Å; I93-F447 HydrophobicContact CG1-CZ 4.39Å
94A85.1Confident80.6Confident0 Ų040.1 Ų40.10%026%0.262CS..Hα-helixtrans-70.5-28.4179.100000113.8V90 C91 A92 N96 V99 M107 S295 I298 P299V90-A94 VanDerWaalsContact O-CB 3.25Å; V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 3.42Å; C91-A94 PolarHBondContact O-N 2.94Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 2.65Å; A94-N96 VanDerWaalsContact C-N 3.35Å; A94-V99 VanDerWaalsContact O-CG2 3.23Å; A94-V99 WeakPolarHBondContact O-CG2 3.43Å; A94-M107 WeakPolarHBondContact CA-SD 3.34Å; A94-M107 HydrophobicContact CB-CE 3.75Å; A94-M107 HydrophobicContact CB-SD 3.5Å; A94-M107 VanDerWaalsContact CB-SD 3.5Å; A94-S295 WeakPolarHBondContact O-CA 3.36Å; A94-S295 WeakPolarHBondContact O-CB 3.26Å; A94-S295 PolarHBondContact O-OG 3.42Å; A94-I298 HydrophobicContact CB-CB 4.38Å; A94-I298 HydrophobicContact CB-CG2 4.23Å; A94-P299 HydrophobicContact CB-CG 4.24Å
95T85.7Confident80Confident92 Ų9238.3 Ų38.356%0.56425%0.246SC*.Hα-helixtrans-83.5-14.6174.950.50000113C91 A92 I93 P299C91-T95 WeakPolarHBondContact O-CG2 3.28Å; C91-T95 PolarHBondContact O-N 3.49Å; C91-T95 PolarHBondContact O-OG1 3.03Å; A92-T95 WeakPolarHBondContact CA-OG1 3.46Å; A92-T95 PolarHBondContact O-N 2.96Å; A92-T95 PolarHBondContact O-OG1 2.91Å; I93-T95 VanDerWaalsContact C-N 3.34Å; I93-T95 PolarHBondContact O-N 3.24Å; T95-P299 HydrophobicContact CG2-CG 4.16Å
96N79.2Confident79.3Confident42 Ų4234.9 Ų34.923%0.22523%0.227CC..SBendtrans-99.4104.5-176-155.3-12.1000111.7A92 I93 A94 T111 F447A92-N96 VanDerWaalsContact O-CB 3.31Å; A92-N96 WeakPolarHBondContact O-CB 3.3Å; A92-N96 PolarHBondContact O-N 3.21Å; A92-N96 VanDerWaalsContact O-N 3.08Å; I93-N96 PolarHBondContact O-N 3.45Å; A94-N96 VanDerWaalsContact C-N 3.35Å; N96-T111 HydrophobicContact CB-CG2 4.47Å; N96-T111 WeakPolarHBondContact O-CG2 3.35Å; N96-F447 VanDerWaalsContact ND2-CA 3.29Å; N96-F447 WeakPolarHBondContact ND2-CA 3.22Å; N96-F447 VanDerWaalsContact ND2-CD2 3.25Å; N96-F447 WeakPolarHBondContact ND2-CD2 3.46Å; N96-F447 PolarHBondContact ND2-OXT 3.21Å
97G69.4Low78.6Confident53 Ų5335.2 Ų35.255%0.54623%0.229SC..SBendtrans89.7-179.6178.600000115.5V99G97-V99 PolarHBondContact O-N 2.91Å
98A64.8Low78.1Confident84 Ų8435.2 Ų35.269%0.69423%0.229SC*.  trans-82.3102.1-177.300000111.1R100A98-R100 PolarHBondContact O-N 2.95Å
99V64.9Low77.7Confident20 Ų2030.5 Ų30.512%0.12120%0.204CC..  trans-70100.5174.7-175.40000109.7A94 G97 M107 P294A94-V99 VanDerWaalsContact O-CG2 3.23Å; A94-V99 WeakPolarHBondContact O-CG2 3.43Å; G97-V99 PolarHBondContact O-N 2.91Å; V99-M107 HydrophobicContact CB-CE 4.49Å; V99-M107 HydrophobicContact CG1-CE 3.6Å; V99-M107 HydrophobicContact CG2-CE 4.01Å; V99-M107 HydrophobicContact CG2-CG 4.25Å; V99-P294 HydrophobicContact CB-CB 4.04Å; V99-P294 HydrophobicContact CB-CG 3.87Å; V99-P294 HydrophobicContact CG1-CB 3.69Å; V99-P294 HydrophobicContact CG1-CG 3.94Å
100R62.5Low77.2Confident143 Ų14337.9 Ų37.954%0.5423%0.23SC..  trans-93177.7172.6-59-175.5174.2179.80.7111.3Y11 A98 G102 F106Y11-R100 PolarHBondContact OH-NH2 3.34Å; A98-R100 PolarHBondContact O-N 2.95Å; R100-G102 VanDerWaalsContact C-N 3.29Å; R100-G102 PolarHBondContact O-N 2.9Å; R100-F106 HydrophobicContact CB-CD1 4.35Å; R100-F106 HydrophobicContact CB-CE1 3.57Å; R100-F106 HydrophobicContact CB-CZ 3.95Å; R100-F106 HydrophobicContact CG-CE1 4.31Å
101G61.3Low76.8Confident56 Ų5638.6 Ų38.658%0.57723%0.234SC*.SBendtrans-78.335.8-162.300000119.7
102G62.5Low76.4Confident13 Ų1339 Ų3913%0.13424%0.235CC..SBendtrans-104.512-176.500000116.3R100 F106R100-G102 VanDerWaalsContact C-N 3.29Å; R100-G102 PolarHBondContact O-N 2.9Å; G102-F106 VanDerWaalsContact C-CB 3.49Å; G102-F106 VanDerWaalsContact CA-CB 3.43Å; G102-F106 WeakPolarHBondContact O-CB 3.4Å
103G76.1Confident76.1Confident2 Ų238.4 Ų38.42%0.02123%0.233CC..Hα-helixtrans78.1-163.6-179.300000113.8M107 A285 S288G103-M107 PolarHBondContact O-N 3.12Å; G103-A285 CarbonylContact C-O 3.52Å; G103-A285 WeakPolarHBondContact CA-O 3.4Å; G103-S288 WeakPolarHBondContact CA-OG 3.46Å; G103-S288 PolarHBondContact N-OG 3.19Å; G103-S288 VanDerWaalsContact N-OG 3.1Å; G103-S288 PolarHBondContact O-OG 3.41Å
104A74.4Confident75.7Confident5 Ų542.5 Ų42.54%0.04126%0.259CS..Hα-helixtrans-64.9-41.6-17700000112.4F106 M107 I108 M282 A285 N286A104-F106 PolarHBondContact O-N 3.14Å; A104-M107 WeakPolarHBondContact O-CB 3.3Å; A104-M107 PolarHBondContact O-N 2.98Å; A104-I108 VanDerWaalsContact O-CG1 3.29Å; A104-I108 WeakPolarHBondContact O-CG1 3.49Å; A104-I108 PolarHBondContact O-N 2.98Å; A104-I108 VanDerWaalsContact O-N 3.14Å; A104-M282 HydrophobicContact CB-SD 4.37Å; A104-A285 HydrophobicContact CB-CB 3.79Å; A104-A285 PolarHBondContact N-O 3.1Å; A104-N286 WeakPolarHBondContact CB-OD1 3.38Å
105Y81.1Confident75.6Confident5 Ų550.4 Ų50.42%0.0230%0.296CS..Hα-helixtrans-59.6-46.9178.2164.6-92.4000112.5M107 I108 S109 G117 I368 A371 L372 D375Y105-M107 PolarHBondContact O-N 2.94Å; Y105-I108 CarbonylContact O-C 3.48Å; Y105-I108 PolarHBondContact O-N 3.05Å; Y105-S109 PolarHBondContact O-N 3.23Å; Y105-S109 PolarHBondContact O-OG 3.44Å; Y105-G117 WeakPolarHBondContact CD2-O 3.44Å; Y105-G117 WeakPolarHBondContact CE2-O 3.42Å; Y105-I368 HydrophobicContact CG-CG2 4.44Å; Y105-A371 HydrophobicContact CD1-CB 3.36Å; Y105-A371 HydrophobicContact CE1-CB 3.81Å; Y105-A371 HydrophobicContact CG-CB 4.44Å; Y105-L372 HydrophobicContact CD2-CD2 4.16Å; Y105-L372 HydrophobicContact CD2-CG 4.27Å; Y105-L372 HydrophobicContact CE1-CD2 4.31Å; Y105-L372 HydrophobicContact CE1-CG 4.26Å; Y105-L372 HydrophobicContact CE2-CD2 3.38Å; Y105-L372 HydrophobicContact CE2-CG 3.9Å; Y105-L372 VanDerWaalsContact CZ-CD2 3.49Å; Y105-D375 VanDerWaalsContact CE1-OD2 3.23Å; Y105-D375 WeakPolarHBondContact CE1-OD2 3.41Å; Y105-D375 PolarHBondContact OH-OD2 3Å
106F77.4Confident75.5Confident27 Ų2749 Ų4912%0.11829%0.288CS..Hα-helixtrans-61.5-35.2-177.6-179.6-85.9000112.3R100 G102 A104 S109 R110R100-F106 HydrophobicContact CB-CD1 4.35Å; R100-F106 HydrophobicContact CB-CE1 3.57Å; R100-F106 HydrophobicContact CB-CZ 3.95Å; R100-F106 HydrophobicContact CG-CE1 4.31Å; G102-F106 VanDerWaalsContact C-CB 3.49Å; G102-F106 VanDerWaalsContact CA-CB 3.43Å; G102-F106 WeakPolarHBondContact O-CB 3.4Å; A104-F106 PolarHBondContact O-N 3.14Å; F106-S109 PolarHBondContact O-OG 2.83Å; F106-R110 HydrophobicContact CD1-CG 4.29Å; F106-R110 HydrophobicContact CE1-CG 3.89Å; F106-R110 HydrophobicContact CE2-CG 4.36Å; F106-R110 HydrophobicContact CZ-CG 3.94Å; F106-R110 WeakPolarHBondContact O-CB 3.37Å; F106-R110 WeakPolarHBondContact O-CG 3.33Å; F106-R110 PolarHBondContact O-N 3.28Å
107M78.4Confident75.8Confident8 Ų847 Ų474%0.03928%0.277CS..Hα-helixtrans-65.7-42.8175-169.4-164.3-72.800111.4I93 A94 V99 G103 A104 Y105 T111 I298I93-M107 HydrophobicContact CG2-CB 4.49Å; I93-M107 HydrophobicContact CG2-CG 3.65Å; I93-M107 HydrophobicContact CG2-SD 3.88Å; A94-M107 WeakPolarHBondContact CA-SD 3.34Å; A94-M107 HydrophobicContact CB-CE 3.75Å; A94-M107 HydrophobicContact CB-SD 3.5Å; A94-M107 VanDerWaalsContact CB-SD 3.5Å; V99-M107 HydrophobicContact CB-CE 4.49Å; V99-M107 HydrophobicContact CG1-CE 3.6Å; V99-M107 HydrophobicContact CG2-CE 4.01Å; V99-M107 HydrophobicContact CG2-CG 4.25Å; G103-M107 PolarHBondContact O-N 3.12Å; A104-M107 WeakPolarHBondContact O-CB 3.3Å; A104-M107 PolarHBondContact O-N 2.98Å; Y105-M107 PolarHBondContact O-N 2.94Å; M107-T111 PolarHBondContact O-N 3.47Å; M107-T111 PolarHBondContact O-OG1 3.11Å; M107-I298 HydrophobicContact CE-CD1 3.32Å
108I82Confident76.6Confident6 Ų644.7 Ų44.73%0.03125%0.253CS..Hα-helixtrans-69.6-46.9178.9-65168.6000111.1I93 A104 Y105 R110 T111 L112 I120 F124 V432I93-I108 HydrophobicContact CG2-CG1 4.49Å; A104-I108 VanDerWaalsContact O-CG1 3.29Å; A104-I108 WeakPolarHBondContact O-CG1 3.49Å; A104-I108 PolarHBondContact O-N 2.98Å; A104-I108 VanDerWaalsContact O-N 3.14Å; Y105-I108 CarbonylContact O-C 3.48Å; Y105-I108 PolarHBondContact O-N 3.05Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 2.75Å; I108-T111 PolarHBondContact O-N 2.82Å; I108-T111 PolarHBondContact O-OG1 2.89Å; I108-T111 VanDerWaalsContact O-OG1 3.04Å; I108-L112 HydrophobicContact CG2-CD1 3.42Å; I108-L112 VanDerWaalsContact CG2-CD1 3.42Å; I108-L112 HydrophobicContact CG2-CG 4.02Å; I108-L112 WeakPolarHBondContact O-CB 3.45Å; I108-L112 WeakPolarHBondContact O-CG 3.18Å; I108-L112 PolarHBondContact O-N 2.92Å; I108-I120 HydrophobicContact CD1-CG2 4.39Å; I108-I120 HydrophobicContact CG2-CD1 4.34Å; I108-I120 HydrophobicContact CG2-CG2 4.28Å; I108-F124 HydrophobicContact CD1-CE2 4.38Å; I108-V432 HydrophobicContact CD1-CG2 4.12Å
109S82.7Confident77.7Confident7 Ų744 Ų445%0.04924%0.243CC..Hα-helixtrans-67.8-27.7-176.669.50000113.3Y105 F106 G113Y105-S109 PolarHBondContact O-N 3.23Å; Y105-S109 PolarHBondContact O-OG 3.44Å; F106-S109 PolarHBondContact O-OG 2.83Å; S109-G113 CarbonylContact O-C 3.4Å; S109-G113 WeakPolarHBondContact O-CA 3.5Å; S109-G113 PolarHBondContact O-N 3.1Å
110R82Confident78.9Confident171 Ų17143.2 Ų43.265%0.64524%0.238SC*.Hα-helixtrans-78.1-28.9176.6-72.4-75.5165-178.7-7.7113.6F106 I108F106-R110 HydrophobicContact CD1-CG 4.29Å; F106-R110 HydrophobicContact CE1-CG 3.89Å; F106-R110 HydrophobicContact CE2-CG 4.36Å; F106-R110 HydrophobicContact CZ-CG 3.94Å; F106-R110 WeakPolarHBondContact O-CB 3.37Å; F106-R110 WeakPolarHBondContact O-CG 3.33Å; F106-R110 PolarHBondContact O-N 3.28Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 2.75Å
111T79.7Confident80.1Confident28 Ų2836.5 Ų36.517%0.17221%0.213CC..Hα-helixtrans-89.1-43.9178.847.30000111.7I93 N96 M107 I108I93-T111 HydrophobicContact CG2-CG2 4.06Å; I93-T111 WeakPolarHBondContact CG2-OG1 3.28Å; N96-T111 HydrophobicContact CB-CG2 4.47Å; N96-T111 WeakPolarHBondContact O-CG2 3.35Å; M107-T111 PolarHBondContact O-N 3.47Å; M107-T111 PolarHBondContact O-OG1 3.11Å; I108-T111 PolarHBondContact O-N 2.82Å; I108-T111 PolarHBondContact O-OG1 2.89Å; I108-T111 VanDerWaalsContact O-OG1 3.04Å
112L80.4Confident81.4Confident20 Ų2036.7 Ų36.711%0.10520%0.201CC..Hα-helixtrans-90.1-12.2-177.4-53.3-174.7000114.2I108 V116 I120 L439I108-L112 HydrophobicContact CG2-CD1 3.42Å; I108-L112 VanDerWaalsContact CG2-CD1 3.42Å; I108-L112 HydrophobicContact CG2-CG 4.02Å; I108-L112 WeakPolarHBondContact O-CB 3.45Å; I108-L112 WeakPolarHBondContact O-CG 3.18Å; I108-L112 PolarHBondContact O-N 2.92Å; L112-V116 HydrophobicContact CB-CB 4.15Å; L112-V116 HydrophobicContact CB-CG1 4.01Å; L112-V116 HydrophobicContact CD1-CG1 3.9Å; L112-I120 HydrophobicContact CD1-CD1 3.65Å; L112-L439 HydrophobicContact CD2-CD1 3.25Å; L112-L439 HydrophobicContact CD2-CG 4.17Å
113G81Confident82.7Confident24 Ų2438.6 Ų38.625%0.24721%0.207CC..  trans89.6163.6-171.900000113.6S109 E115 G117S109-G113 CarbonylContact O-C 3.4Å; S109-G113 WeakPolarHBondContact O-CA 3.5Å; S109-G113 PolarHBondContact O-N 3.1Å; G113-E115 PolarHBondContact O-N 2.89Å; G113-G117 WeakPolarHBondContact O-CA 3.23Å; G113-G117 PolarHBondContact O-N 3.38Å
114P79.3Confident83.3Confident86 Ų8638.7 Ų38.756%0.55821%0.207SC*.Hα-helixtrans-69.2-33.2-168.925.8-34.2000114G118P114-G118 WeakPolarHBondContact O-CA 3.38Å; P114-G118 PolarHBondContact O-N 3.46Å
115E83.1Confident84.1Confident166 Ų16638.9 Ų38.978%0.77621%0.206SC*.Hα-helixtrans-71-51.4-178.2-63.6-179.7178.200111.7G113 G118 S119G113-E115 PolarHBondContact O-N 2.89Å; E115-G118 PolarHBondContact O-N 2.9Å; E115-S119 PolarHBondContact O-N 3.44Å
116V83.7Confident84.5Confident64 Ų6440.9 Ų40.939%0.38822%0.217SC..Hα-helixtrans-66.8-46.2177.9179.70000110L112 G118 S119 I120 S435L112-V116 HydrophobicContact CB-CB 4.15Å; L112-V116 HydrophobicContact CB-CG1 4.01Å; L112-V116 HydrophobicContact CD1-CG1 3.9Å; V116-G118 VanDerWaalsContact C-N 3.35Å; V116-G118 PolarHBondContact O-N 3.31Å; V116-S119 PolarHBondContact O-N 3.49Å; V116-I120 HydrophobicContact CG1-CD1 3.75Å; V116-I120 VanDerWaalsContact O-CG1 3.32Å; V116-I120 WeakPolarHBondContact O-CG1 3.44Å; V116-I120 PolarHBondContact O-N 2.98Å; V116-I120 VanDerWaalsContact O-N 3.09Å; V116-S435 WeakPolarHBondContact CG1-OG 3.48Å
117G85.1Confident85.1Confident0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-57.3-45.7175.300000112.5Y105 G113 S119 I120 G121Y105-G117 WeakPolarHBondContact CD2-O 3.44Å; Y105-G117 WeakPolarHBondContact CE2-O 3.42Å; G113-G117 WeakPolarHBondContact O-CA 3.23Å; G113-G117 PolarHBondContact O-N 3.38Å; G117-S119 PolarHBondContact O-N 2.88Å; G117-I120 PolarHBondContact O-N 2.86Å; G117-G121 PolarHBondContact O-N 2.9Å
118G85.9Confident85.7Confident3 Ų339.8 Ų39.83%0.03121%0.213CC..Hα-helixtrans-57.2-48.3178.900000113.2P114 E115 V116 G121 L122P114-G118 WeakPolarHBondContact O-CA 3.38Å; P114-G118 PolarHBondContact O-N 3.46Å; E115-G118 PolarHBondContact O-N 2.9Å; V116-G118 VanDerWaalsContact C-N 3.35Å; V116-G118 PolarHBondContact O-N 3.31Å; G118-G121 PolarHBondContact O-N 3.32Å; G118-L122 PolarHBondContact O-N 3.32Å
119S88.1Confident86.3Confident69 Ų6939.5 Ų39.548%0.48321%0.211SC..Hα-helixtrans-62.9-49.1177.7-178.80000112.2E115 V116 G117 G121 L122 M123E115-S119 PolarHBondContact O-N 3.44Å; V116-S119 PolarHBondContact O-N 3.49Å; G117-S119 PolarHBondContact O-N 2.88Å; S119-G121 VanDerWaalsContact C-N 3.31Å; S119-G121 PolarHBondContact O-N 3.48Å; S119-L122 PolarHBondContact O-N 3.5Å; S119-M123 WeakPolarHBondContact O-CG 3.31Å; S119-M123 PolarHBondContact O-N 3.34Å; S119-M123 VanDerWaalsContact O-N 3.15Å
120I89.2Confident86.6Confident4 Ų439.8 Ų39.82%0.02121%0.213CC..Hα-helixtrans-61.7-42.4177.9-67.4174.3000110.5I108 L112 V116 G117 L122 M123 F124 A431 V432I108-I120 HydrophobicContact CD1-CG2 4.39Å; I108-I120 HydrophobicContact CG2-CD1 4.34Å; I108-I120 HydrophobicContact CG2-CG2 4.28Å; L112-I120 HydrophobicContact CD1-CD1 3.65Å; V116-I120 HydrophobicContact CG1-CD1 3.75Å; V116-I120 VanDerWaalsContact O-CG1 3.32Å; V116-I120 WeakPolarHBondContact O-CG1 3.44Å; V116-I120 PolarHBondContact O-N 2.98Å; V116-I120 VanDerWaalsContact O-N 3.09Å; G117-I120 PolarHBondContact O-N 2.86Å; I120-L122 PolarHBondContact O-N 2.96Å; I120-M123 PolarHBondContact O-N 3.28Å; I120-F124 HydrophobicContact CG2-CD2 3.62Å; I120-F124 HydrophobicContact CG2-CE2 3.39Å; I120-F124 VanDerWaalsContact O-CD2 3.28Å; I120-F124 WeakPolarHBondContact O-CD2 3.23Å; I120-F124 PolarHBondContact O-N 3.47Å; I120-A431 HydrophobicContact CD1-CB 4.07Å; I120-A431 HydrophobicContact CG1-CB 3.78Å; I120-V432 HydrophobicContact CD1-CG2 4.4Å; I120-V432 HydrophobicContact CG2-CG2 3.74Å
121G88.5Confident87Confident2 Ų231.9 Ų31.92%0.02119%0.185CC..Hα-helixtrans-59-45.3176.600000112.8G117 G118 S119 M123 F124 Y125 I368G117-G121 PolarHBondContact O-N 2.9Å; G118-G121 PolarHBondContact O-N 3.32Å; S119-G121 VanDerWaalsContact C-N 3.31Å; S119-G121 PolarHBondContact O-N 3.48Å; G121-M123 VanDerWaalsContact C-N 3.33Å; G121-M123 PolarHBondContact O-N 2.84Å; G121-F124 PolarHBondContact O-N 3.26Å; G121-Y125 WeakPolarHBondContact O-CB 3.42Å; G121-Y125 PolarHBondContact O-N 3.15Å; G121-I368 VanDerWaalsContact O-CG2 3.31Å; G121-I368 WeakPolarHBondContact O-CG2 3.23Å
122L88.4Confident87.6Confident60 Ų6030.6 Ų30.631%0.31418%0.177SC..Hα-helixtrans-62.9-40.3177.4-174.865.5000111.8G118 S119 I120 Y125 L126 F378G118-L122 PolarHBondContact O-N 3.32Å; S119-L122 PolarHBondContact O-N 3.5Å; I120-L122 PolarHBondContact O-N 2.96Å; L122-Y125 HydrophobicContact CD1-CD1 4.45Å; L122-Y125 WeakPolarHBondContact O-CB 3.47Å; L122-Y125 PolarHBondContact O-N 3.1Å; L122-L126 WeakPolarHBondContact O-CG 3.43Å; L122-L126 PolarHBondContact O-N 3.33Å; L122-F378 HydrophobicContact CD2-CZ 4.44Å
123M89.9Confident88.1Confident53 Ų5329.6 Ų29.626%0.26117%0.172SC..Hα-helixtrans-64.2-45.1176.5-65.1-62.1152.100111.7S119 I120 G121 Y125 L126 A127 F424 A428S119-M123 WeakPolarHBondContact O-CG 3.31Å; S119-M123 PolarHBondContact O-N 3.34Å; S119-M123 VanDerWaalsContact O-N 3.15Å; I120-M123 PolarHBondContact O-N 3.28Å; G121-M123 VanDerWaalsContact C-N 3.33Å; G121-M123 PolarHBondContact O-N 2.84Å; M123-Y125 VanDerWaalsContact C-N 3.31Å; M123-Y125 PolarHBondContact O-N 3.42Å; M123-L126 PolarHBondContact O-N 3.42Å; M123-A127 WeakPolarHBondContact O-CB 3.35Å; M123-A127 PolarHBondContact O-N 2.78Å; M123-F424 HydrophobicContact SD-CD1 3.91Å; M123-F424 HydrophobicContact SD-CE1 4.12Å; M123-A428 HydrophobicContact CB-CB 3.96Å
124F88.8Confident88.5Confident5 Ų529 Ų292%0.02216%0.163CC..Hα-helixtrans-65.3-34.5174.2-77.9-58.4000112.9I108 I120 G121 A127 N128 M282 I368 Y425 A428 Y429 V432I108-F124 HydrophobicContact CD1-CE2 4.38Å; I120-F124 HydrophobicContact CG2-CD2 3.62Å; I120-F124 HydrophobicContact CG2-CE2 3.39Å; I120-F124 VanDerWaalsContact O-CD2 3.28Å; I120-F124 WeakPolarHBondContact O-CD2 3.23Å; I120-F124 PolarHBondContact O-N 3.47Å; G121-F124 PolarHBondContact O-N 3.26Å; F124-A127 PolarHBondContact O-N 3Å; F124-N128 WeakPolarHBondContact O-CB 3.46Å; F124-N128 PolarHBondContact O-N 3.49Å; F124-N128 PolarHBondContact O-ND2 3.4Å; F124-M282 HydrophobicContact CD1-SD 3.88Å; F124-M282 HydrophobicContact CD2-CE 4.46Å; F124-M282 HydrophobicContact CD2-SD 4.07Å; F124-M282 HydrophobicContact CE1-CE 3.6Å; F124-M282 HydrophobicContact CE1-SD 3.51Å; F124-M282 VanDerWaalsContact CE1-SD 3.51Å; F124-M282 HydrophobicContact CE2-CE 3.51Å; F124-M282 HydrophobicContact CE2-SD 3.69Å; F124-M282 HydrophobicContact CG-SD 4.18Å; F124-M282 HydrophobicContact CZ-CE 3.03Å; F124-M282 HydrophobicContact CZ-SD 3.44Å; F124-M282 WeakPolarHBondContact CZ-SD 3.04Å; F124-I368 HydrophobicContact CB-CD1 3.78Å; F124-Y425 HydrophobicContact CD1-CD1 4.24Å; F124-Y425 HydrophobicContact CD1-CE1 4.23Å; F124-Y425 HydrophobicContact CE1-CD1 4.19Å; F124-A428 HydrophobicContact CD1-CB 3.71Å; F124-A428 HydrophobicContact CD2-CB 4.04Å; F124-A428 HydrophobicContact CE1-CB 3.34Å; F124-A428 HydrophobicContact CE2-CB 3.72Å; F124-A428 HydrophobicContact CG-CB 4.01Å; F124-A428 HydrophobicContact CZ-CB 3.32Å; F124-Y429 AromaticContact CE1-CD1 3.72Å; F124-Y429 HydrophobicContact CE1-CD1 3.72Å; F124-Y429 AromaticContact CE1-CE1 3.57Å; F124-Y429 HydrophobicContact CE1-CE1 3.57Å; F124-Y429 AromaticContact CZ-CD1 3.77Å; F124-Y429 HydrophobicContact CZ-CD1 3.77Å; F124-Y429 HydrophobicContact CZ-CE1 4.03Å; F124-V432 HydrophobicContact CE2-CG2 3.78Å; F124-V432 HydrophobicContact CZ-CG2 4.1Å
125Y90.9Very high89Confident9 Ų925.3 Ų25.34%0.03514%0.14CC..Hα-helixtrans-61.2-51.4175.1174.6-108.3000110.9G121 L122 M123 A127 N128 V129 A365 L369 L404G121-Y125 WeakPolarHBondContact O-CB 3.42Å; G121-Y125 PolarHBondContact O-N 3.15Å; L122-Y125 HydrophobicContact CD1-CD1 4.45Å; L122-Y125 WeakPolarHBondContact O-CB 3.47Å; L122-Y125 PolarHBondContact O-N 3.1Å; M123-Y125 VanDerWaalsContact C-N 3.31Å; M123-Y125 PolarHBondContact O-N 3.42Å; Y125-A127 PolarHBondContact O-N 3.49Å; Y125-N128 PolarHBondContact O-N 2.86Å; Y125-V129 HydrophobicContact CD2-CG2 4.35Å; Y125-V129 HydrophobicContact CE1-CG2 4.22Å; Y125-V129 HydrophobicContact CE2-CG2 3.88Å; Y125-V129 WeakPolarHBondContact O-CG2 3.28Å; Y125-V129 PolarHBondContact O-N 3.18Å; Y125-A365 HydrophobicContact CD2-CB 3.92Å; Y125-A365 WeakPolarHBondContact CD2-O 3.42Å; Y125-A365 HydrophobicContact CE2-CB 3.89Å; Y125-L369 HydrophobicContact CD2-CB 3.96Å; Y125-L369 HydrophobicContact CD2-CD1 4.31Å; Y125-L369 HydrophobicContact CE1-CD1 4.18Å; Y125-L369 HydrophobicContact CE2-CB 3.71Å; Y125-L369 HydrophobicContact CE2-CD1 3.92Å; Y125-L369 HydrophobicContact CE2-CD2 4Å; Y125-L369 HydrophobicContact CE2-CG 4.1Å; Y125-L404 HydrophobicContact CE1-CD1 3.88Å
126L90.8Very high89.4Confident47 Ų4717.4 Ų17.425%0.24610%0.103CC..Hα-helixtrans-62.3-42177.4-67.7175.2000111.9L122 M123 N128 V129 C130 F424L122-L126 WeakPolarHBondContact O-CG 3.43Å; L122-L126 PolarHBondContact O-N 3.33Å; M123-L126 PolarHBondContact O-N 3.42Å; L126-N128 VanDerWaalsContact C-N 3.35Å; L126-N128 PolarHBondContact O-N 3.37Å; L126-V129 PolarHBondContact O-N 3.33Å; L126-C130 WeakPolarHBondContact O-CB 3.48Å; L126-C130 PolarHBondContact O-N 3.28Å; L126-C130 PolarHBondContact O-SG 3.37Å; L126-F424 HydrophobicContact CB-CD2 4.43Å; L126-F424 HydrophobicContact CB-CE2 4.36Å; L126-F424 HydrophobicContact CB-CZ 4.45Å; L126-F424 HydrophobicContact CD1-CE1 4.19Å; L126-F424 HydrophobicContact CD1-CZ 4.21Å
127A89.9Confident89.6Confident0 Ų015.5 Ų15.50%09%0.09CC..Hα-helixtrans-58.5-45.2175.700000112M123 F124 Y125 G131 F424 Y425M123-A127 WeakPolarHBondContact O-CB 3.35Å; M123-A127 PolarHBondContact O-N 2.78Å; F124-A127 PolarHBondContact O-N 3Å; Y125-A127 PolarHBondContact O-N 3.49Å; A127-G131 WeakPolarHBondContact O-CA 2.82Å; A127-G131 PolarHBondContact O-N 2.97Å; A127-F424 HydrophobicContact CB-CB 3.79Å; A127-Y425 HydrophobicContact CB-CD1 3.91Å; A127-Y425 HydrophobicContact CB-CD2 4.03Å; A127-Y425 HydrophobicContact CB-CE1 3.8Å; A127-Y425 HydrophobicContact CB-CE2 3.94Å; A127-Y425 HydrophobicContact CB-CG 4.01Å
128N91.3Very high89.6Confident11 Ų1115.7 Ų15.76%0.0599%0.093CC..Hα-helixtrans-68.2-39.2178.4-81.8-64000112.4F124 Y125 L126 G131 C132 S361 A365 I368 Y425F124-N128 WeakPolarHBondContact O-CB 3.46Å; F124-N128 PolarHBondContact O-N 3.49Å; F124-N128 PolarHBondContact O-ND2 3.4Å; Y125-N128 PolarHBondContact O-N 2.86Å; L126-N128 VanDerWaalsContact C-N 3.35Å; L126-N128 PolarHBondContact O-N 3.37Å; N128-G131 PolarHBondContact O-N 3.18Å; N128-C132 WeakPolarHBondContact O-CB 3.4Å; N128-C132 PolarHBondContact O-N 2.96Å; N128-S361 WeakPolarHBondContact CB-O 3.42Å; N128-S361 WeakPolarHBondContact O-CB 3.36Å; N128-A365 HydrophobicContact CB-CB 3.83Å; N128-I368 WeakPolarHBondContact ND2-CD1 3.49Å; N128-Y425 PolarHBondContact OD1-OH 3.45Å
129V92.8Very high89.8Confident0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-64.4-50.1176.8170.50000110.8Y125 L126 G131 C132 A133 A365 L404 V405 V408Y125-V129 HydrophobicContact CD2-CG2 4.35Å; Y125-V129 HydrophobicContact CE1-CG2 4.22Å; Y125-V129 HydrophobicContact CE2-CG2 3.88Å; Y125-V129 WeakPolarHBondContact O-CG2 3.28Å; Y125-V129 PolarHBondContact O-N 3.18Å; L126-V129 PolarHBondContact O-N 3.33Å; V129-G131 VanDerWaalsContact C-N 3.32Å; V129-G131 PolarHBondContact O-N 3.4Å; V129-C132 WeakPolarHBondContact O-CB 3.46Å; V129-C132 PolarHBondContact O-N 3.09Å; V129-A133 PolarHBondContact O-N 3.36Å; V129-A365 HydrophobicContact CG2-CB 3.98Å; V129-L404 HydrophobicContact CB-CD2 4.15Å; V129-L404 HydrophobicContact CG1-CB 4.12Å; V129-L404 HydrophobicContact CG1-CD2 3.27Å; V129-L404 HydrophobicContact CG1-CG 4.23Å; V129-L404 HydrophobicContact CG2-CD2 4.36Å; V129-V405 HydrophobicContact CB-CG2 4.27Å; V129-V405 HydrophobicContact CG1-CB 4.35Å; V129-V405 HydrophobicContact CG1-CG2 3.65Å; V129-V405 HydrophobicContact CG2-CG2 4.47Å; V129-V408 HydrophobicContact CG1-CG2 4.06Å
130C90.6Very high89.8Confident13 Ų1312.6 Ų12.69%0.0887%0.07CC..Hα-helixtrans-65.5-36.4177.5-65.20000111.7L126 C132 A133 V134 V421L126-C130 WeakPolarHBondContact O-CB 3.48Å; L126-C130 PolarHBondContact O-N 3.28Å; L126-C130 PolarHBondContact O-SG 3.37Å; C130-C132 PolarHBondContact O-N 3.17Å; C130-A133 WeakPolarHBondContact O-CB 3.29Å; C130-A133 PolarHBondContact O-N 2.88Å; C130-V134 WeakPolarHBondContact O-CG2 3.21Å; C130-V134 PolarHBondContact O-N 2.63Å; C130-V421 HydrophobicContact CB-CG2 3.28Å
131G89.4Confident89.5Confident6 Ų616.9 Ų16.96%0.0629%0.09CC..Hα-helixtrans-64.7-37176.600000113.2A127 N128 V129 V134 S135A127-G131 WeakPolarHBondContact O-CA 2.82Å; A127-G131 PolarHBondContact O-N 2.97Å; N128-G131 PolarHBondContact O-N 3.18Å; V129-G131 VanDerWaalsContact C-N 3.32Å; V129-G131 PolarHBondContact O-N 3.4Å; G131-V134 PolarHBondContact O-N 3.46Å; G131-S135 WeakPolarHBondContact O-CB 3.49Å; G131-S135 PolarHBondContact O-N 2.95Å; G131-S135 PolarHBondContact O-OG 2.89Å
132C92Very high89.3Confident0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-61.4-46.9171.7-173.30000111N128 V129 C130 S135 L136 S358 V405N128-C132 WeakPolarHBondContact O-CB 3.4Å; N128-C132 PolarHBondContact O-N 2.96Å; V129-C132 WeakPolarHBondContact O-CB 3.46Å; V129-C132 PolarHBondContact O-N 3.09Å; C130-C132 PolarHBondContact O-N 3.17Å; C132-S135 PolarHBondContact O-N 3.23Å; C132-L136 WeakPolarHBondContact O-CG 3.43Å; C132-L136 PolarHBondContact O-N 3.06Å; C132-S358 PolarHBondContact SG-O 3.35Å; C132-V405 HydrophobicContact CB-CG1 4.2Å; C132-V405 HydrophobicContact CB-CG2 3.92Å
133A91.7Very high89.2Confident0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-61.3-45.8177.500000112.3V129 C130 S135 L136 L137 V405 V408 L409V129-A133 PolarHBondContact O-N 3.36Å; C130-A133 WeakPolarHBondContact O-CB 3.29Å; C130-A133 PolarHBondContact O-N 2.88Å; A133-S135 VanDerWaalsContact C-N 3.33Å; A133-S135 PolarHBondContact O-N 3.47Å; A133-L136 PolarHBondContact O-N 3.05Å; A133-L137 WeakPolarHBondContact O-CG 3.4Å; A133-L137 PolarHBondContact O-N 3.05Å; A133-V405 HydrophobicContact CB-CG1 4.16Å; A133-V408 HydrophobicContact CB-CB 4.03Å; A133-V408 HydrophobicContact CB-CG1 3.51Å; A133-L409 HydrophobicContact CB-CD2 3.98Å; A133-L409 HydrophobicContact CB-CG 4.33Å
134V88.7Confident88.8Confident11 Ų1114.5 Ų14.57%0.0678%0.079CC..Hα-helixtrans-60.9-42.1177.8171.30000111.5C130 G131 L136 L137 G138 L414 L417 A418 V421C130-V134 WeakPolarHBondContact O-CG2 3.21Å; C130-V134 PolarHBondContact O-N 2.63Å; G131-V134 PolarHBondContact O-N 3.46Å; V134-L136 VanDerWaalsContact C-N 3.34Å; V134-L136 PolarHBondContact O-N 3.43Å; V134-L137 PolarHBondContact O-N 3.04Å; V134-G138 PolarHBondContact O-N 3.04Å; V134-L414 HydrophobicContact CG1-CD2 4.4Å; V134-L417 HydrophobicContact CG2-CB 3.55Å; V134-A418 HydrophobicContact CG1-CB 4.26Å; V134-A418 HydrophobicContact CG2-CB 4.45Å; V134-V421 HydrophobicContact CG2-CG2 4.04Å
135S90Very high88.2Confident9 Ų919 Ų196%0.06310%0.102CC..Hα-helixtrans-64.8-39.1178.4-57.50000112G131 C132 A133 L139G131-S135 WeakPolarHBondContact O-CB 3.49Å; G131-S135 PolarHBondContact O-N 2.95Å; G131-S135 PolarHBondContact O-OG 2.89Å; C132-S135 PolarHBondContact O-N 3.23Å; A133-S135 VanDerWaalsContact C-N 3.33Å; A133-S135 PolarHBondContact O-N 3.47Å; S135-L139 WeakPolarHBondContact O-CB 3.42Å; S135-L139 PolarHBondContact O-N 3.01Å
136L91.6Very high87.5Confident0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-70.4-41.8176.3-72.4170.4000112.6C132 A133 V134 G138 L139 V140 L174 L175 V178 V405 L409C132-L136 WeakPolarHBondContact O-CG 3.43Å; C132-L136 PolarHBondContact O-N 3.06Å; A133-L136 PolarHBondContact O-N 3.05Å; V134-L136 VanDerWaalsContact C-N 3.34Å; V134-L136 PolarHBondContact O-N 3.43Å; L136-G138 VanDerWaalsContact C-N 3.35Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 3.46Å; L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 3.45Å; L136-L174 HydrophobicContact CD2-CB 3.76Å; L136-L175 HydrophobicContact CD1-CB 3.75Å; L136-L175 HydrophobicContact CD1-CD1 3.62Å; L136-L175 HydrophobicContact CD1-CG 4.17Å; L136-V178 HydrophobicContact CD2-CG2 4.31Å; L136-V405 HydrophobicContact CD1-CG1 4.32Å; L136-L409 HydrophobicContact CB-CD2 4.4Å; L136-L409 HydrophobicContact CD1-CD1 4.36Å
137L88.1Confident86.8Confident23 Ų2321.2 Ų21.212%0.1211%0.113CC..Hα-helixtrans-62.8-43.3175.2-69.9172.6000111A133 V134 L139 V140 E141 L409 L414 L417A133-L137 WeakPolarHBondContact O-CG 3.4Å; A133-L137 PolarHBondContact O-N 3.05Å; V134-L137 PolarHBondContact O-N 3.04Å; L137-L139 VanDerWaalsContact C-N 3.28Å; L137-L139 PolarHBondContact O-N 3.35Å; L137-V140 PolarHBondContact O-N 2.98Å; L137-E141 WeakPolarHBondContact O-CG 3.3Å; L137-E141 PolarHBondContact O-N 3.49Å; L137-L409 HydrophobicContact CD1-CD2 4.32Å; L137-L409 HydrophobicContact CD2-CD2 3.85Å; L137-L409 HydrophobicContact CG-CD2 3.72Å; L137-L414 HydrophobicContact CB-CB 4.34Å; L137-L414 HydrophobicContact CB-CD1 3.79Å; L137-L414 HydrophobicContact CB-CG 4.15Å; L137-L414 HydrophobicContact CD1-CB 4.28Å; L137-L417 HydrophobicContact CD1-CD1 3.71Å
138G85.6Confident85.6Confident5 Ų521.7 Ų21.75%0.05212%0.118CC..Hα-helixtrans-62.1-35.8174.700000112.9I54 V134 L136 S142I54-G138 VanDerWaalsContact CD1-C 3.42Å; I54-G138 WeakPolarHBondContact CD1-O 3.5Å; V134-G138 PolarHBondContact O-N 3.04Å; L136-G138 VanDerWaalsContact C-N 3.35Å; G138-S142 WeakPolarHBondContact O-CB 3.49Å; G138-S142 PolarHBondContact O-N 3.28Å; G138-S142 PolarHBondContact O-OG 3.27Å
139L89.3Confident83.9Confident2 Ų223 Ų231%0.0113%0.131CC..Hα-helixtrans-65.8-44.4173.2179.855000112S135 L136 L137 S142 I143 L174 Y351 A354 L355S135-L139 WeakPolarHBondContact O-CB 3.42Å; S135-L139 PolarHBondContact O-N 3.01Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 3.46Å; L137-L139 VanDerWaalsContact C-N 3.28Å; L137-L139 PolarHBondContact O-N 3.35Å; L139-S142 PolarHBondContact O-N 3.22Å; L139-I143 HydrophobicContact CD1-CD1 4.09Å; L139-I143 HydrophobicContact CD1-CG1 4.33Å; L139-I143 HydrophobicContact CG-CD1 4.06Å; L139-I143 WeakPolarHBondContact O-CG1 3.4Å; L139-I143 PolarHBondContact O-N 3.31Å; L139-L174 HydrophobicContact CD2-CD1 3.83Å; L139-L174 HydrophobicContact CD2-CD2 4.02Å; L139-L174 HydrophobicContact CD2-CG 4.44Å; L139-L174 HydrophobicContact CG-CD1 3.93Å; L139-Y351 HydrophobicContact CD1-CD1 3.46Å; L139-Y351 VanDerWaalsContact CD1-CD1 3.46Å; L139-Y351 HydrophobicContact CD1-CE1 4.26Å; L139-Y351 HydrophobicContact CD1-CG 4.05Å; L139-A354 HydrophobicContact CB-CB 3.83Å; L139-A354 HydrophobicContact CD1-CB 4.16Å; L139-A354 HydrophobicContact CD2-CB 4.47Å; L139-A354 HydrophobicContact CG-CB 4.38Å; L139-L355 HydrophobicContact CD2-CD2 3.48Å; L139-L355 VanDerWaalsContact CD2-CD2 3.48Å; L139-L355 HydrophobicContact CD2-CG 3.62Å
140V88.8Confident82.1Confident4 Ų427.3 Ų27.32%0.02415%0.154CC..Hα-helixtrans-61.8-46176.3172.40000110.7L136 L137 S142 I143 L144 N167 Y170 L174L136-V140 WeakPolarHBondContact O-CG2 3.48Å; L136-V140 PolarHBondContact O-N 3.45Å; L137-V140 PolarHBondContact O-N 2.98Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 3.25Å; V140-I143 PolarHBondContact O-N 2.98Å; V140-L144 HydrophobicContact CG1-CD1 3.73Å; V140-L144 HydrophobicContact CG1-CG 4.28Å; V140-L144 WeakPolarHBondContact O-CB 3.29Å; V140-L144 VanDerWaalsContact O-CG 3.3Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 3.06Å; V140-N167 HydrophobicContact CG1-CB 4.3Å; V140-Y170 HydrophobicContact CG1-CD2 4.48Å; V140-L174 HydrophobicContact CG2-CD1 3.73Å
141E83.1Confident80.2Confident94 Ų9433.4 Ų33.444%0.43919%0.19SC..Hα-helixtrans-56.4-44.3174.8-75.8178.2-173.300111.4L137 I143 L144 D145 L414L137-E141 WeakPolarHBondContact O-CG 3.3Å; L137-E141 PolarHBondContact O-N 3.49Å; E141-I143 PolarHBondContact O-N 3.19Å; E141-L144 PolarHBondContact O-N 2.88Å; E141-D145 WeakPolarHBondContact O-CB 3.33Å; E141-D145 PolarHBondContact O-N 3.41Å; E141-L414 VanDerWaalsContact CD-CD1 3.45Å; E141-L414 VanDerWaalsContact OE1-CD1 3.25Å; E141-L414 WeakPolarHBondContact OE1-CD1 3.37Å; E141-L414 WeakPolarHBondContact OE2-CD1 3.47Å
142S83.1Confident78.3Confident12 Ų1238.6 Ų38.68%0.08422%0.221CC..Hα-helixtrans-65.3-37.1178.9-54.80000113.1L58 G138 L139 V140L58-S142 WeakPolarHBondContact CD1-OG 3.46Å; G138-S142 WeakPolarHBondContact O-CB 3.49Å; G138-S142 PolarHBondContact O-N 3.28Å; G138-S142 PolarHBondContact O-OG 3.27Å; L139-S142 PolarHBondContact O-N 3.22Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 3.25Å
143I86.3Confident76.3Confident38 Ų3841.6 Ų41.620%0.19525%0.252CS..Hα-helixtrans-68.3-42.2176.2-70.5166.9000110.2L139 V140 E141 V146 F147 L160 L174 Y351L139-I143 HydrophobicContact CD1-CD1 4.09Å; L139-I143 HydrophobicContact CD1-CG1 4.33Å; L139-I143 HydrophobicContact CG-CD1 4.06Å; L139-I143 WeakPolarHBondContact O-CG1 3.4Å; L139-I143 PolarHBondContact O-N 3.31Å; V140-I143 PolarHBondContact O-N 2.98Å; E141-I143 PolarHBondContact O-N 3.19Å; I143-V146 PolarHBondContact O-N 3.44Å; I143-F147 HydrophobicContact CG2-CD2 4.23Å; I143-F147 WeakPolarHBondContact O-CB 3.44Å; I143-F147 PolarHBondContact O-N 2.94Å; I143-L160 HydrophobicContact CG2-CD1 3.9Å; I143-L174 HydrophobicContact CD1-CD1 4.19Å; I143-Y351 HydrophobicContact CG1-CD1 4.33Å; I143-Y351 HydrophobicContact CG1-CE1 3.73Å
144L82.5Confident74.1Confident16 Ų1646.5 Ų46.58%0.08429%0.286CS..Hα-helixtrans-71.7-29.8-179.8-68.2174.3000112.7V140 E141 V146 G148 L160 Q162 N167 Y170V140-L144 HydrophobicContact CG1-CD1 3.73Å; V140-L144 HydrophobicContact CG1-CG 4.28Å; V140-L144 WeakPolarHBondContact O-CB 3.29Å; V140-L144 VanDerWaalsContact O-CG 3.3Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 3.06Å; E141-L144 PolarHBondContact O-N 2.88Å; L144-V146 VanDerWaalsContact C-N 3.25Å; L144-V146 PolarHBondContact O-N 2.84Å; L144-G148 WeakPolarHBondContact O-CA 3.45Å; L144-G148 PolarHBondContact O-N 2.63Å; L144-L160 HydrophobicContact CD2-CB 4.34Å; L144-Q162 HydrophobicContact CD2-CG 4.44Å; L144-N167 WeakPolarHBondContact CD1-OD1 3.2Å; L144-Y170 HydrophobicContact CD2-CD2 4.14Å; L144-Y170 HydrophobicContact CD2-CE2 3.88Å
145D76.4Confident72Confident98 Ų9852.3 Ų52.352%0.52433%0.327SS..Hα-helixtrans-60.5-36.2171.5-177.676.3000112E141 R337E141-D145 WeakPolarHBondContact O-CB 3.33Å; E141-D145 PolarHBondContact O-N 3.41Å; D145-R337 IonicContact OD2-CZ 2.88Å; D145-R337 IonicContact OD2-NH1 3.73Å; D145-R337 PolarHBondContact OD2-NH1 3.25Å; D145-R337 IonicContact OD2-NH2 2.63Å
146V75.3Confident70.2Confident26 Ų2653.7 Ų53.716%0.15834%0.343CS..Hα-helixtrans-90.2-41.8-176.6178.30000112.9I143 L144 L347I143-V146 PolarHBondContact O-N 3.44Å; L144-V146 VanDerWaalsContact C-N 3.25Å; L144-V146 PolarHBondContact O-N 2.84Å; V146-L347 HydrophobicContact CG1-CD1 4.28Å; V146-L347 HydrophobicContact CG2-CD1 4.16Å; V146-L347 HydrophobicContact CG2-CD2 3.63Å
147F75.8Confident68.2Low77 Ų7759.5 Ų59.534%0.33837%0.372SS..Hα-helixtrans-115.4-5-169.7-63.4-76.5000114I143 L160I143-F147 HydrophobicContact CG2-CD2 4.23Å; I143-F147 WeakPolarHBondContact O-CB 3.44Å; I143-F147 PolarHBondContact O-N 2.94Å; F147-L160 HydrophobicContact CB-CD1 3.57Å; F147-L160 HydrophobicContact CB-CG 4.4Å; F147-L160 HydrophobicContact CG-CD1 4.4Å; F147-L160 PolarHBondContact O-N 3.46Å
148G64.6Low66.7Low11 Ų1164.6 Ų64.611%0.11339%0.394CS..BIsolated β-bridgetrans-68.2140178.900000111.5L144 D150L144-G148 WeakPolarHBondContact O-CA 3.45Å; L144-G148 PolarHBondContact O-N 2.63Å; G148-D150 PolarHBondContact O-N 3.39Å; G148-D150 VanDerWaalsContact O-N 3.09Å
149A56.3Low65.7Low39 Ų3969.3 Ų69.332%0.32242%0.421SS..  trans-81.581.6177.600000111K158 L160A149-K158 HydrophobicContact CB-CB 4.23Å; A149-L160 PolarHBondContact N-O 3.23Å; A149-L160 VanDerWaalsContact N-O 3.14Å
150D54.8Low64.8Low90 Ų9071.3 Ų71.348%0.48143%0.431SS..  trans-74.4136.7167.1-81-9.2000111.3G148 T152 K158 Q162G148-D150 PolarHBondContact O-N 3.39Å; G148-D150 VanDerWaalsContact O-N 3.09Å; D150-T152 PolarHBondContact O-N 3.49Å; D150-K158 PolarHBondContact O-NZ 2.89Å; D150-Q162 VanDerWaalsContact OD1-CD 3.3Å; D150-Q162 PolarHBondContact OD1-NE2 3.02Å; D150-Q162 PolarHBondContact OD1-OE1 3.29Å
151V51Low64.2Low141 Ų14173.7 Ų73.786%0.85545%0.447SS*.SBendtrans-69.8-15.7-177179.10000112.1
152T50.3Low63.5Low115 Ų11573.3 Ų73.371%0.70645%0.445SS*.SBendtrans-126.1118.3-179.946.20000109.8D150D150-T152 PolarHBondContact O-N 3.49Å
153G49.5Very low63.3Low63 Ų6374.2 Ų74.265%0.64946%0.457SS*.  trans-67.5149.6-155.500000117.8
154S44.8Very low63.1Low102 Ų10279.2 Ų79.271%0.71347%0.474SS*.SBend-167.7134.6104.846.60000111G156S154-G156 PolarHBondContact O-N 3.4Å
155S45.9Very low63.1Low134 Ų13480.8 Ų80.894%0.93749%0.494SS*.SBendtrans45.349.9159.550.50000119.9
156G50.7Low63.6Low38 Ų3882 Ų8239%0.39249%0.492SS..  trans-123147.6162.400000111.5S154 K158S154-G156 PolarHBondContact O-N 3.4Å; G156-K158 PolarHBondContact O-N 3.17Å
157I50.4Low64.1Low121 Ų12183.6 Ų83.662%0.62150%0.499SS*.  trans-69.997.1170.6-67169.7000106.9V159I157-V159 VanDerWaalsContact C-N 3.35Å; I157-V159 HydrophobicContact CG2-CB 4.4Å; I157-V159 HydrophobicContact CG2-CG2 3.45Å; I157-V159 VanDerWaalsContact CG2-CG2 3.45Å; I157-V159 PolarHBondContact O-N 2.94Å
158K56Low64.7Low131 Ų13181.8 Ų81.857%0.5749%0.492SS*.  trans-67.680.9-176.3-65.1-173.6177.6-162.90111.9A149 D150 G156A149-K158 HydrophobicContact CB-CB 4.23Å; D150-K158 PolarHBondContact O-NZ 2.89Å; G156-K158 PolarHBondContact O-N 3.17Å
159V64.3Low65.9Low104 Ų10484.9 Ų84.963%0.6351%0.506SS*.  trans-120.4-25.9-175.9173.50000112.7I157I157-V159 VanDerWaalsContact C-N 3.35Å; I157-V159 HydrophobicContact CG2-CB 4.4Å; I157-V159 HydrophobicContact CG2-CG2 3.45Å; I157-V159 VanDerWaalsContact CG2-CG2 3.45Å; I157-V159 PolarHBondContact O-N 2.94Å
160L71.5Confident67.5Low43 Ų4384.5 Ų84.523%0.22550%0.497CS..BIsolated β-bridgetrans-101.1121.2-173.9-71.4161.6000112.4I143 L144 F147 A149 Y170I143-L160 HydrophobicContact CG2-CD1 3.9Å; L144-L160 HydrophobicContact CD2-CB 4.34Å; F147-L160 HydrophobicContact CB-CD1 3.57Å; F147-L160 HydrophobicContact CB-CG 4.4Å; F147-L160 HydrophobicContact CG-CD1 4.4Å; F147-L160 PolarHBondContact O-N 3.46Å; A149-L160 PolarHBondContact N-O 3.23Å; A149-L160 VanDerWaalsContact N-O 3.14Å; L160-Y170 HydrophobicContact CD2-CE1 3.78Å; L160-Y170 HydrophobicContact CD2-CE2 4.3Å; L160-Y170 WeakPolarHBondContact CD2-OH 3.35Å
161P75.9Confident69.3Low54 Ų5480.3 Ų80.335%0.35147%0.474SS..PPolyproline II helixtrans-65.4138.2172.626.9-34.6000110.9W166 Y170P161-W166 HydrophobicContact CB-CD2 4.26Å; P161-W166 HydrophobicContact CB-CG 4.25Å; P161-W166 HydrophobicContact CG-CD2 3.58Å; P161-W166 HydrophobicContact CG-CE3 3.93Å; P161-W166 HydrophobicContact CG-CG 3.99Å; P161-W166 HydrophobicContact CG-CH2 4.21Å; P161-W166 HydrophobicContact CG-CZ2 3.88Å; P161-W166 HydrophobicContact CG-CZ3 4.23Å; P161-W166 WeakPolarHBondContact O-CB 3.25Å; P161-Y170 WeakPolarHBondContact CD-OH 3.31Å
162Q69.3Low71.3Confident87 Ų8775 Ų7541%0.40744%0.444SS..PPolyproline II helixtrans-99.6142.6176.7-67.2-179.1-2.300110.9L144 D150L144-Q162 HydrophobicContact CD2-CG 4.44Å; D150-Q162 VanDerWaalsContact OD1-CD 3.3Å; D150-Q162 PolarHBondContact OD1-NE2 3.02Å; D150-Q162 PolarHBondContact OD1-OE1 3.29Å
163G77.8Confident73.4Confident31 Ų3174.9 Ų74.932%0.3244%0.438SS..SBendtrans162.5159.8175.200000111.1G165 W166 N167G163-G165 VanDerWaalsContact C-N 3.29Å; G163-G165 PolarHBondContact O-N 2.9Å; G163-W166 PolarHBondContact O-N 3.49Å; G163-N167 VanDerWaalsContact O-CG 3.28Å; G163-N167 PolarHBondContact O-N 3.46Å; G163-N167 PolarHBondContact O-OD1 3.47Å; G163-N167 VanDerWaalsContact O-OD1 3.07Å
164Y81.2Confident75.5Confident143 Ų14373.3 Ų73.356%0.56142%0.415SS*.Hα-helixtrans-53.4-45.5-177.8178.3-103.1000112.9W166 L168 L410Y164-W166 PolarHBondContact O-N 3.39Å; Y164-L168 WeakPolarHBondContact O-CB 3.39Å; Y164-L168 PolarHBondContact O-N 3.01Å; Y164-L410 PolarHBondContact OH-O 3.45Å
165G84.1Confident77.9Confident49 Ų4968.5 Ų68.551%0.50538%0.381SS..Hα-helixtrans-66-36.1178.100000113.8G163 L169G163-G165 VanDerWaalsContact C-N 3.29Å; G163-G165 PolarHBondContact O-N 2.9Å; G165-L169 WeakPolarHBondContact O-CB 3.25Å; G165-L169 PolarHBondContact O-N 2.95Å
166W85.7Confident80.2Confident124 Ų12463.7 Ų63.747%0.4735%0.353SS..Hα-helixtrans-72.1-43.5177.2-71.5110.7000111.7P161 G163 Y164 L168 L169 Y170P161-W166 HydrophobicContact CB-CD2 4.26Å; P161-W166 HydrophobicContact CB-CG 4.25Å; P161-W166 HydrophobicContact CG-CD2 3.58Å; P161-W166 HydrophobicContact CG-CE3 3.93Å; P161-W166 HydrophobicContact CG-CG 3.99Å; P161-W166 HydrophobicContact CG-CH2 4.21Å; P161-W166 HydrophobicContact CG-CZ2 3.88Å; P161-W166 HydrophobicContact CG-CZ3 4.23Å; P161-W166 WeakPolarHBondContact O-CB 3.25Å; G163-W166 PolarHBondContact O-N 3.49Å; Y164-W166 PolarHBondContact O-N 3.39Å; W166-L168 VanDerWaalsContact C-N 3.29Å; W166-L168 PolarHBondContact O-N 3.3Å; W166-L169 HydrophobicContact CE3-CD2 4.29Å; W166-L169 HydrophobicContact CZ3-CD2 4.41Å; W166-L169 WeakPolarHBondContact O-CB 3.35Å; W166-L169 PolarHBondContact O-N 3.48Å; W166-L169 VanDerWaalsContact O-N 3.11Å; W166-Y170 HydrophobicContact CB-CE2 3.98Å; W166-Y170 HydrophobicContact CE3-CE1 4.34Å; W166-Y170 WeakPolarHBondContact O-CD2 3.22Å; W166-Y170 VanDerWaalsContact O-CG 3.26Å; W166-Y170 PolarHBondContact O-N 3.49Å
167N85.6Confident82.2Confident58 Ų5866.5 Ų66.531%0.3136%0.358SS..Hα-helixtrans-59.4-43.4175.6-64.912.6000110.9V140 L144 G163 Y170 G171V140-N167 HydrophobicContact CG1-CB 4.3Å; L144-N167 WeakPolarHBondContact CD1-OD1 3.2Å; G163-N167 VanDerWaalsContact O-CG 3.28Å; G163-N167 PolarHBondContact O-N 3.46Å; G163-N167 PolarHBondContact O-OD1 3.47Å; G163-N167 VanDerWaalsContact O-OD1 3.07Å; N167-Y170 PolarHBondContact O-N 3.35Å; N167-G171 PolarHBondContact O-N 3.4Å
168L88.3Confident84.2Confident39 Ų3960.8 Ų60.820%0.20433%0.329CS..Hα-helixtrans-63.6-41.6174.8-176.872000111.7Y164 W166 G171 S172 L409 L410Y164-L168 WeakPolarHBondContact O-CB 3.39Å; Y164-L168 PolarHBondContact O-N 3.01Å; W166-L168 VanDerWaalsContact C-N 3.29Å; W166-L168 PolarHBondContact O-N 3.3Å; L168-G171 PolarHBondContact O-N 3.47Å; L168-S172 WeakPolarHBondContact O-CB 3.35Å; L168-S172 PolarHBondContact O-N 2.95Å; L168-S172 PolarHBondContact O-OG 3.43Å; L168-L409 HydrophobicContact CD1-CB 4.2Å; L168-L410 HydrophobicContact CD1-CD2 3.88Å; L168-L410 HydrophobicContact CD1-CG 4.41Å; L168-L410 HydrophobicContact CD2-CD2 3.48Å; L168-L410 VanDerWaalsContact CD2-CD2 3.48Å; L168-L410 HydrophobicContact CG-CD2 4.29Å
169L90.4Very high85.9Confident77 Ų7754.9 Ų54.940%0.40331%0.306SS..Hα-helixtrans-63.5-45.7178.1-178.6138.8000111.5G165 W166 G171 S172 L173G165-L169 WeakPolarHBondContact O-CB 3.25Å; G165-L169 PolarHBondContact O-N 2.95Å; W166-L169 HydrophobicContact CE3-CD2 4.29Å; W166-L169 HydrophobicContact CZ3-CD2 4.41Å; W166-L169 WeakPolarHBondContact O-CB 3.35Å; W166-L169 PolarHBondContact O-N 3.48Å; W166-L169 VanDerWaalsContact O-N 3.11Å; L169-G171 PolarHBondContact O-N 2.84Å; L169-S172 PolarHBondContact O-N 3.3Å; L169-L173 HydrophobicContact CD2-CD1 3.61Å; L169-L173 HydrophobicContact CD2-CG 4.42Å; L169-L173 HydrophobicContact CG-CD1 4.32Å; L169-L173 WeakPolarHBondContact O-CB 3.42Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 2.94Å
170Y91.1Very high87.1Confident31 Ų3151.7 Ų51.712%0.12229%0.294CS..Hα-helixtrans-61.2-44.6174.7-57.6-38.7000111.6V140 L144 L160 P161 W166 N167 S172 L173 L174V140-Y170 HydrophobicContact CG1-CD2 4.48Å; L144-Y170 HydrophobicContact CD2-CD2 4.14Å; L144-Y170 HydrophobicContact CD2-CE2 3.88Å; L160-Y170 HydrophobicContact CD2-CE1 3.78Å; L160-Y170 HydrophobicContact CD2-CE2 4.3Å; L160-Y170 WeakPolarHBondContact CD2-OH 3.35Å; P161-Y170 WeakPolarHBondContact CD-OH 3.31Å; W166-Y170 HydrophobicContact CB-CE2 3.98Å; W166-Y170 HydrophobicContact CE3-CE1 4.34Å; W166-Y170 WeakPolarHBondContact O-CD2 3.22Å; W166-Y170 VanDerWaalsContact O-CG 3.26Å; W166-Y170 PolarHBondContact O-N 3.49Å; N167-Y170 PolarHBondContact O-N 3.35Å; Y170-S172 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.38Å; Y170-L173 PolarHBondContact O-N 2.89Å; Y170-L174 WeakPolarHBondContact O-CB 3.35Å; Y170-L174 VanDerWaalsContact O-CG 3.3Å; Y170-L174 WeakPolarHBondContact O-CG 3.47Å; Y170-L174 PolarHBondContact O-N 3.4Å
171G91.2Very high87.9Confident1 Ų151.2 Ų51.21%0.0129%0.292CS..Hα-helixtrans-60.3-41.8175.200000112.8N167 L168 L169 L174 L175N167-G171 PolarHBondContact O-N 3.4Å; L168-G171 PolarHBondContact O-N 3.47Å; L169-G171 PolarHBondContact O-N 2.84Å; G171-L174 PolarHBondContact O-N 2.93Å; G171-L175 VanDerWaalsContact O-CB 3.28Å; G171-L175 WeakPolarHBondContact O-CB 3.41Å; G171-L175 PolarHBondContact O-N 2.91Å
172S93.3Very high88.4Confident30 Ų3048.7 Ų48.721%0.2128%0.276CS..Hα-helixtrans-69.3-38179.4-530000112.2L168 L169 Y170 L175 G176 Q406L168-S172 WeakPolarHBondContact O-CB 3.35Å; L168-S172 PolarHBondContact O-N 2.95Å; L168-S172 PolarHBondContact O-OG 3.43Å; L169-S172 PolarHBondContact O-N 3.3Å; Y170-S172 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.38Å; S172-L175 PolarHBondContact O-N 3.4Å; S172-G176 PolarHBondContact O-N 3.28Å; S172-Q406 PolarHBondContact OG-NE2 3.38Å; S172-Q406 PolarHBondContact OG-OE1 3.49Å
173L94.2Very high89.2Confident112 Ų11246.4 Ų46.459%0.58627%0.272SS*.Hα-helixtrans-64.9-45.6174.3-74.1171.3000111.4L169 Y170 G176 L177L169-L173 HydrophobicContact CD2-CD1 3.61Å; L169-L173 HydrophobicContact CD2-CG 4.42Å; L169-L173 HydrophobicContact CG-CD1 4.32Å; L169-L173 WeakPolarHBondContact O-CB 3.42Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.44Å; L169-L173 PolarHBondContact O-N 2.94Å; Y170-L173 PolarHBondContact O-N 2.89Å; L173-G176 PolarHBondContact O-N 2.97Å; L173-L177 PolarHBondContact O-N 3.11Å
174L94Very high89.4Confident31 Ų3151.3 Ų51.316%0.16229%0.29CS..Hα-helixtrans-64.1-41.6175.9-70167.1000111.3L136 L139 V140 I143 Y170 G171 G176 L177 V178 L355L136-L174 HydrophobicContact CD2-CB 3.76Å; L139-L174 HydrophobicContact CD2-CD1 3.83Å; L139-L174 HydrophobicContact CD2-CD2 4.02Å; L139-L174 HydrophobicContact CD2-CG 4.44Å; L139-L174 HydrophobicContact CG-CD1 3.93Å; V140-L174 HydrophobicContact CG2-CD1 3.73Å; I143-L174 HydrophobicContact CD1-CD1 4.19Å; Y170-L174 WeakPolarHBondContact O-CB 3.35Å; Y170-L174 VanDerWaalsContact O-CG 3.3Å; Y170-L174 WeakPolarHBondContact O-CG 3.47Å; Y170-L174 PolarHBondContact O-N 3.4Å; G171-L174 PolarHBondContact O-N 2.93Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 3.08Å; L174-L177 WeakPolarHBondContact O-CB 3.47Å; L174-L177 PolarHBondContact O-N 2.94Å; L174-V178 WeakPolarHBondContact O-CG2 3.41Å; L174-V178 PolarHBondContact O-N 3.01Å; L174-L355 HydrophobicContact CD2-CD2 4.34Å
175L94.9Very high89.1Confident0 Ų044.9 Ų44.90%027%0.267CS..Hα-helixtrans-61.7-39.1173.7-177.258.9000111.5L136 G171 S172 V178 G179 W402 V405 Q406 L409L136-L175 HydrophobicContact CD1-CB 3.75Å; L136-L175 HydrophobicContact CD1-CD1 3.62Å; L136-L175 HydrophobicContact CD1-CG 4.17Å; G171-L175 VanDerWaalsContact O-CB 3.28Å; G171-L175 WeakPolarHBondContact O-CB 3.41Å; G171-L175 PolarHBondContact O-N 2.91Å; S172-L175 PolarHBondContact O-N 3.4Å; L175-V178 PolarHBondContact O-N 3.45Å; L175-G179 PolarHBondContact O-N 3.46Å; L175-W402 HydrophobicContact CG-CG 4.41Å; L175-W402 PolarHBondContact O-NE1 2.98Å; L175-V405 HydrophobicContact CD1-CB 4Å; L175-V405 HydrophobicContact CD1-CG1 3.58Å; L175-V405 HydrophobicContact CD2-CB 4.02Å; L175-V405 HydrophobicContact CD2-CG1 3.81Å; L175-V405 HydrophobicContact CG-CG1 4.33Å; L175-Q406 HydrophobicContact CD2-CB 3.92Å; L175-L409 HydrophobicContact CB-CD1 4.25Å; L175-L409 HydrophobicContact CD2-CD1 3.86Å
176G94.2Very high88.5Confident34 Ų3443 Ų4335%0.35125%0.247SC..Hα-helixtrans-60.1-44.317300000112.6S172 L173 L174 G179 G180S172-G176 PolarHBondContact O-N 3.28Å; L173-G176 PolarHBondContact O-N 2.97Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-G176 PolarHBondContact O-N 3.08Å; G176-G179 PolarHBondContact O-N 3.21Å; G176-G180 PolarHBondContact O-N 2.74Å
177L93Very high88Confident97 Ų9739.1 Ų39.151%0.50825%0.246SC..Hα-helixtrans-62-49.7175-177.5156000111.3L173 L174 G179 G180 V181L173-L177 PolarHBondContact O-N 3.11Å; L174-L177 WeakPolarHBondContact O-CB 3.47Å; L174-L177 PolarHBondContact O-N 2.94Å; L177-G179 VanDerWaalsContact C-N 3.35Å; L177-G179 PolarHBondContact O-N 3.44Å; L177-G180 PolarHBondContact O-N 3.23Å; L177-V181 HydrophobicContact CD2-CG2 4.38Å; L177-V181 WeakPolarHBondContact O-CG2 3.36Å; L177-V181 PolarHBondContact O-N 3.46Å
178V92.1Very high87.8Confident0 Ų040 Ų400%025%0.25CC..Hα-helixtrans-60.6-45.5178.4170.50000110.5L136 L174 L175 G180 V181 C182 L355 M359 L362L136-V178 HydrophobicContact CD2-CG2 4.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.41Å; L174-V178 PolarHBondContact O-N 3.01Å; L175-V178 PolarHBondContact O-N 3.45Å; V178-G180 PolarHBondContact O-N 2.83Å; V178-V181 PolarHBondContact O-N 3.19Å; V178-C182 WeakPolarHBondContact O-CB 3.2Å; V178-C182 PolarHBondContact O-N 2.8Å; V178-C182 PolarHBondContact O-SG 3.48Å; V178-L355 HydrophobicContact CG2-CD2 4.19Å; V178-M359 HydrophobicContact CB-CG 4.44Å; V178-M359 HydrophobicContact CG1-CB 4.42Å; V178-M359 HydrophobicContact CG1-CG 3.87Å; V178-M359 HydrophobicContact CG2-CG 4.19Å; V178-L362 HydrophobicContact CG1-CB 4.26Å; V178-L362 HydrophobicContact CG1-CD2 3.81Å
179G91.3Very high87.5Confident8 Ų838.2 Ų38.28%0.08224%0.241CC..Hα-helixtrans-59.6-43.3175.600000112.8L175 G176 L177 C182 A183L175-G179 PolarHBondContact O-N 3.46Å; G176-G179 PolarHBondContact O-N 3.21Å; L177-G179 VanDerWaalsContact C-N 3.35Å; L177-G179 PolarHBondContact O-N 3.44Å; G179-C182 PolarHBondContact O-N 2.94Å; G179-A183 VanDerWaalsContact O-CB 3.3Å; G179-A183 WeakPolarHBondContact O-CB 3.28Å; G179-A183 PolarHBondContact O-N 2.92Å
180G89.5Confident87.1Confident37 Ų3734.8 Ų34.838%0.38122%0.224SC..Hα-helixtrans-60-48.2175.400000112.5G176 L177 V178 C182 A183 L184G176-G180 PolarHBondContact O-N 2.74Å; L177-G180 PolarHBondContact O-N 3.23Å; V178-G180 PolarHBondContact O-N 2.83Å; G180-C182 VanDerWaalsContact C-N 3.34Å; G180-C182 PolarHBondContact O-N 3.35Å; G180-A183 PolarHBondContact O-N 3.36Å; G180-L184 WeakPolarHBondContact O-CG 3.34Å; G180-L184 PolarHBondContact O-N 3.34Å
181V88.4Confident86.7Confident32 Ų3242.1 Ų42.119%0.19425%0.251CS..Hα-helixtrans-62.8-41.4177.41770000111.4L177 V178 L184 L188 M359L177-V181 HydrophobicContact CD2-CG2 4.38Å; L177-V181 WeakPolarHBondContact O-CG2 3.36Å; L177-V181 PolarHBondContact O-N 3.46Å; V178-V181 PolarHBondContact O-N 3.19Å; V181-L184 PolarHBondContact O-N 3.49Å; V181-L188 HydrophobicContact CG1-CD2 4.34Å; V181-L188 HydrophobicContact CG1-CG 4.48Å; V181-M359 HydrophobicContact CB-SD 4.37Å; V181-M359 HydrophobicContact CG1-SD 3.88Å
182C86.4Confident86.5Confident2 Ų243.4 Ų43.41%0.01426%0.262CS..Hα-helixtrans-69.5-32.5179.2-62.50000112.7V178 G179 G180 L184 G185 L362 I363 N393 V398V178-C182 WeakPolarHBondContact O-CB 3.2Å; V178-C182 PolarHBondContact O-N 2.8Å; V178-C182 PolarHBondContact O-SG 3.48Å; G179-C182 PolarHBondContact O-N 2.94Å; G180-C182 VanDerWaalsContact C-N 3.34Å; G180-C182 PolarHBondContact O-N 3.35Å; C182-L184 VanDerWaalsContact C-N 3.34Å; C182-G185 PolarHBondContact O-N 3.49Å; C182-L362 HydrophobicContact CB-CD2 4.12Å; C182-I363 HydrophobicContact CB-CG1 3.98Å; C182-I363 VanDerWaalsContact SG-CG1 3.54Å; C182-N393 PolarHBondContact O-ND2 2.88Å; C182-V398 HydrophobicContact CB-CG1 3.96Å
183A85.9Confident86.2Confident39 Ų3942 Ų4232%0.32225%0.252SS..Hα-helixtrans-70.1-28.517700000113G179 G180 G185 N393 V398G179-A183 VanDerWaalsContact O-CB 3.3Å; G179-A183 WeakPolarHBondContact O-CB 3.28Å; G179-A183 PolarHBondContact O-N 2.92Å; G180-A183 PolarHBondContact O-N 3.36Å; A183-G185 VanDerWaalsContact C-N 3.31Å; A183-G185 PolarHBondContact O-N 3Å; A183-N393 PolarHBondContact O-ND2 3.49Å; A183-V398 HydrophobicContact CB-CG1 4.43Å
184L82.8Confident86Confident133 Ų13340.4 Ų40.470%0.69624%0.24SC*.THydrogen-bonded Turntrans-75.5-15.1178.4-67.9170.1000113.9G180 V181 C182 L188G180-L184 WeakPolarHBondContact O-CG 3.34Å; G180-L184 PolarHBondContact O-N 3.34Å; V181-L184 PolarHBondContact O-N 3.49Å; C182-L184 VanDerWaalsContact C-N 3.34Å; L184-L188 HydrophobicContact CB-CD2 3.67Å; L184-L188 HydrophobicContact CD1-CD2 3.57Å; L184-L188 HydrophobicContact CG-CD2 4.28Å
185G74.6Confident85.9Confident8 Ų844.1 Ų44.18%0.08226%0.259CS..  trans115.8168.1165.900000116.7C182 A183 G187 L188 Y189 N393C182-G185 PolarHBondContact O-N 3.49Å; A183-G185 VanDerWaalsContact C-N 3.31Å; A183-G185 PolarHBondContact O-N 3Å; G185-G187 VanDerWaalsContact C-N 3.31Å; G185-G187 PolarHBondContact O-N 3.34Å; G185-L188 PolarHBondContact O-N 3.43Å; G185-Y189 PolarHBondContact O-N 3.45Å; G185-N393 WeakPolarHBondContact CA-ND2 3.18Å
186A72Confident85.7Confident10 Ų1044.7 Ų44.78%0.08326%0.263CS..Hα-helixtrans-63.7-31.4-172.300000113.8Y189 A190 M287 E290A186-Y189 PolarHBondContact O-N 2.97Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 3.23Å; A186-M287 HydrophobicContact CB-CE 4.47Å; A186-E290 HydrophobicContact CB-CG 3.94Å
187G74.7Confident85.6Confident43 Ų4344.4 Ų44.444%0.44325%0.252SS..Hα-helixtrans-67.1-39.2177.900000113.4G185 R191G185-G187 VanDerWaalsContact C-N 3.31Å; G185-G187 PolarHBondContact O-N 3.34Å; G187-R191 WeakPolarHBondContact O-CG 3.44Å; G187-R191 PolarHBondContact O-N 2.89Å
188L81Confident85.6Confident75 Ų7544.2 Ų44.239%0.39325%0.251SS..Hα-helixtrans-68.1-44.1174.3-178.863.1000110.3V181 L184 G185 A190 R191 A192V181-L188 HydrophobicContact CG1-CD2 4.34Å; V181-L188 HydrophobicContact CG1-CG 4.48Å; L184-L188 HydrophobicContact CB-CD2 3.67Å; L184-L188 HydrophobicContact CD1-CD2 3.57Å; L184-L188 HydrophobicContact CG-CD2 4.28Å; G185-L188 PolarHBondContact O-N 3.43Å; L188-A190 PolarHBondContact O-N 3.33Å; L188-R191 PolarHBondContact O-N 2.87Å; L188-A192 WeakPolarHBondContact O-CB 3.48Å; L188-A192 PolarHBondContact O-N 3.42Å
189Y83.5Confident85.7Confident2 Ų247.4 Ų47.41%0.00827%0.268CS..Hα-helixtrans-58.5-44.4175.3166.4-104.3000112.7G185 A186 R191 A192 S193 M287 M359 S360 I363G185-Y189 PolarHBondContact O-N 3.45Å; A186-Y189 PolarHBondContact O-N 2.97Å; Y189-R191 VanDerWaalsContact C-N 3.3Å; Y189-R191 PolarHBondContact O-N 3.46Å; Y189-A192 PolarHBondContact O-N 2.9Å; Y189-S193 WeakPolarHBondContact CD2-OG 3.19Å; Y189-S193 WeakPolarHBondContact CE2-OG 3.41Å; Y189-S193 VanDerWaalsContact O-CB 3.25Å; Y189-S193 WeakPolarHBondContact O-CB 3.36Å; Y189-S193 PolarHBondContact O-N 2.94Å; Y189-S193 PolarHBondContact O-OG 3.4Å; Y189-M287 HydrophobicContact CD1-CE 3.36Å; Y189-M287 HydrophobicContact CD1-SD 4.12Å; Y189-M287 HydrophobicContact CE1-CE 3.53Å; Y189-M287 HydrophobicContact CE1-SD 3.62Å; Y189-M359 HydrophobicContact CD2-CB 4.03Å; Y189-M359 HydrophobicContact CE2-CB 3.82Å; Y189-S360 WeakPolarHBondContact OH-CB 3.45Å; Y189-S360 PolarHBondContact OH-OG 3.39Å; Y189-I363 HydrophobicContact CD1-CD1 3.52Å; Y189-I363 HydrophobicContact CD2-CD1 3.18Å; Y189-I363 HydrophobicContact CE1-CD1 3.97Å; Y189-I363 HydrophobicContact CE2-CD1 3.67Å; Y189-I363 HydrophobicContact CG-CD1 3.08Å
190A80.1Confident85.7Confident6 Ų647.1 Ų47.15%0.0527%0.265CS..Hα-helixtrans-61.3-39.2179.200000111.9L37 A186 L188 F194 M287L37-A190 HydrophobicContact CD1-CB 4.07Å; L37-A190 HydrophobicContact CD2-CB 3.79Å; A186-A190 WeakPolarHBondContact O-CB 3.33Å; A186-A190 PolarHBondContact O-N 3.23Å; L188-A190 PolarHBondContact O-N 3.33Å; A190-F194 PolarHBondContact O-N 3.41Å; A190-M287 HydrophobicContact CB-CE 4.3Å
191R84.2Confident85.9Confident185 Ų18546.6 Ų46.670%0.69826%0.255SS*.Hα-helixtrans-68.3-44.2175.4-67.6177.6-173.71793.9112.1G187 L188 Y189 S193 F194 L195G187-R191 WeakPolarHBondContact O-CG 3.44Å; G187-R191 PolarHBondContact O-N 2.89Å; L188-R191 PolarHBondContact O-N 2.87Å; Y189-R191 VanDerWaalsContact C-N 3.3Å; Y189-R191 PolarHBondContact O-N 3.46Å; R191-S193 VanDerWaalsContact C-N 3.34Å; R191-F194 PolarHBondContact O-N 2.89Å; R191-L195 PolarHBondContact O-N 3.37Å; R191-L195 VanDerWaalsContact O-N 3.11Å
192A87.4Confident86.1Confident28 Ų2846.7 Ų46.723%0.23126%0.263CS..Hα-helixtrans-63.9-39.5175.900000111.8L188 Y189 L195 T196L188-A192 WeakPolarHBondContact O-CB 3.48Å; L188-A192 PolarHBondContact O-N 3.42Å; Y189-A192 PolarHBondContact O-N 2.9Å; A192-L195 PolarHBondContact O-N 3.35Å; A192-T196 WeakPolarHBondContact O-CG2 3.23Å; A192-T196 PolarHBondContact O-N 2.92Å; A192-T196 PolarHBondContact O-OG1 2.76Å; A192-T196 VanDerWaalsContact O-OG1 3.1Å
193S86.8Confident86.4Confident0 Ų046.6 Ų46.60%026%0.262CS..Hα-helixtrans-63.6-42.5175.6-62.40000111.2L49 Y189 R191 L195 T196 F197L49-S193 WeakPolarHBondContact CD1-O 3.35Å; Y189-S193 WeakPolarHBondContact CD2-OG 3.19Å; Y189-S193 WeakPolarHBondContact CE2-OG 3.41Å; Y189-S193 VanDerWaalsContact O-CB 3.25Å; Y189-S193 WeakPolarHBondContact O-CB 3.36Å; Y189-S193 PolarHBondContact O-N 2.94Å; Y189-S193 PolarHBondContact O-OG 3.4Å; R191-S193 VanDerWaalsContact C-N 3.34Å; S193-L195 PolarHBondContact O-N 3.33Å; S193-T196 VanDerWaalsContact CA-OG1 3.28Å; S193-T196 WeakPolarHBondContact CA-OG1 3.3Å; S193-T196 PolarHBondContact O-N 3.02Å; S193-T196 PolarHBondContact O-OG1 2.87Å; S193-F197 WeakPolarHBondContact O-CB 3.5Å; S193-F197 PolarHBondContact O-N 3.42Å
194F89.1Confident86.8Confident78 Ų7845 Ų4534%0.34225%0.248SC..Hα-helixtrans-63.2-41.4175.2-177.7-111.1000112.7F40 L41 V45 A190 R191 F197 L198F40-F194 HydrophobicContact CE1-CD2 4.45Å; F40-F194 HydrophobicContact CE1-CE2 4.07Å; L41-F194 HydrophobicContact CD2-CB 4.01Å; L41-F194 HydrophobicContact CD2-CD2 3.4Å; L41-F194 VanDerWaalsContact CD2-CD2 3.4Å; L41-F194 HydrophobicContact CD2-CE2 4.03Å; L41-F194 HydrophobicContact CD2-CG 3.77Å; V45-F194 HydrophobicContact CG2-CD2 4.44Å; A190-F194 PolarHBondContact O-N 3.41Å; R191-F194 PolarHBondContact O-N 2.89Å; F194-F197 WeakPolarHBondContact O-CB 3.27Å; F194-F197 PolarHBondContact O-N 2.92Å; F194-L198 HydrophobicContact CD1-CD1 4.37Å; F194-L198 HydrophobicContact CE1-CD1 3.82Å; F194-L198 HydrophobicContact CE1-CG 4.43Å; F194-L198 HydrophobicContact CZ-CD1 4.02Å; F194-L198 HydrophobicContact CZ-CD2 4.31Å; F194-L198 HydrophobicContact CZ-CG 4.28Å; F194-L198 PolarHBondContact O-N 3.27Å; F194-L198 VanDerWaalsContact O-N 3.16Å
195L91.3Very high87.2Confident109 Ų10941.1 Ų41.157%0.57124%0.235SC*.Hα-helixtrans-64.3-44.4175.8-175.5128.8000111.9R191 A192 S193 F197 L198 L199R191-L195 PolarHBondContact O-N 3.37Å; R191-L195 VanDerWaalsContact O-N 3.11Å; A192-L195 PolarHBondContact O-N 3.35Å; S193-L195 PolarHBondContact O-N 3.33Å; L195-F197 VanDerWaalsContact C-N 3.32Å; L195-F197 PolarHBondContact O-N 3.32Å; L195-L198 PolarHBondContact O-N 2.98Å; L195-L199 HydrophobicContact CD2-CD1 3.94Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.3Å; L195-L199 VanDerWaalsContact O-N 3.17Å
196T91.2Very high88.1Confident13 Ų1341.8 Ų41.88%0.0824%0.239CC..Hα-helixtrans-63.5-37.9175.352.50000111.7L49 A192 S193 L198 L199 V200 A352L49-T196 WeakPolarHBondContact CD1-OG1 3.16Å; A192-T196 WeakPolarHBondContact O-CG2 3.23Å; A192-T196 PolarHBondContact O-N 2.92Å; A192-T196 PolarHBondContact O-OG1 2.76Å; A192-T196 VanDerWaalsContact O-OG1 3.1Å; S193-T196 VanDerWaalsContact CA-OG1 3.28Å; S193-T196 WeakPolarHBondContact CA-OG1 3.3Å; S193-T196 PolarHBondContact O-N 3.02Å; S193-T196 PolarHBondContact O-OG1 2.87Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.45Å; T196-L199 PolarHBondContact O-N 2.96Å; T196-V200 WeakPolarHBondContact O-CB 3.43Å; T196-V200 VanDerWaalsContact O-CG2 3.26Å; T196-V200 WeakPolarHBondContact O-CG2 3.31Å; T196-V200 PolarHBondContact O-N 3.44Å; T196-A352 HydrophobicContact CG2-CB 4.36Å
197F92.3Very high89.1Confident27 Ų2741.4 Ų41.412%0.11824%0.235CC..Hα-helixtrans-57.3-42.9173.6178.3-100.2000113.2F40 V45 V48 L49 S193 F194 L195 V200 S201F40-F197 HydrophobicContact CZ-CE1 4.03Å; F40-F197 HydrophobicContact CZ-CZ 4.36Å; V45-F197 HydrophobicContact CG1-CB 3.82Å; V45-F197 HydrophobicContact CG1-CG 4.23Å; V45-F197 HydrophobicContact CG2-CB 4.41Å; V45-F197 HydrophobicContact CG2-CD1 4.17Å; V45-F197 HydrophobicContact CG2-CD2 4.25Å; V45-F197 HydrophobicContact CG2-CG 4.01Å; V48-F197 HydrophobicContact CB-CE2 4.34Å; V48-F197 HydrophobicContact CG1-CD2 4.35Å; V48-F197 HydrophobicContact CG1-CE2 3.92Å; L49-F197 HydrophobicContact CD1-CB 4.01Å; L49-F197 HydrophobicContact CD2-CB 4.34Å; L49-F197 HydrophobicContact CG-CB 4.3Å; L49-F197 HydrophobicContact CG-CD2 4.41Å; S193-F197 WeakPolarHBondContact O-CB 3.5Å; S193-F197 PolarHBondContact O-N 3.42Å; F194-F197 WeakPolarHBondContact O-CB 3.27Å; F194-F197 PolarHBondContact O-N 2.92Å; L195-F197 VanDerWaalsContact C-N 3.32Å; L195-F197 PolarHBondContact O-N 3.32Å; F197-V200 PolarHBondContact O-N 2.99Å; F197-S201 WeakPolarHBondContact CZ-OG 3.31Å; F197-S201 VanDerWaalsContact O-CB 3.23Å; F197-S201 WeakPolarHBondContact O-CB 3.42Å; F197-S201 PolarHBondContact O-N 3.47Å; F197-S201 PolarHBondContact O-OG 2.82Å
198L93.1Very high89.9Confident94 Ų9441.2 Ų41.249%0.49222%0.224SC..Hα-helixtrans-65.4-41.4177.1-66.6177.2000111.6F194 L195 T196 G202F194-L198 HydrophobicContact CD1-CD1 4.37Å; F194-L198 HydrophobicContact CE1-CD1 3.82Å; F194-L198 HydrophobicContact CE1-CG 4.43Å; F194-L198 HydrophobicContact CZ-CD1 4.02Å; F194-L198 HydrophobicContact CZ-CD2 4.31Å; F194-L198 HydrophobicContact CZ-CG 4.28Å; F194-L198 PolarHBondContact O-N 3.27Å; F194-L198 VanDerWaalsContact O-N 3.16Å; L195-L198 PolarHBondContact O-N 2.98Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.45Å; L198-G202 PolarHBondContact O-N 3.24Å
199L93.6Very high90.4Very high67 Ų6741.6 Ų41.635%0.35123%0.229SC..Hα-helixtrans-65.1-44.2176.7-66.9174.8000112.1L195 T196 G202 S203 I348 A352L195-L199 HydrophobicContact CD2-CD1 3.94Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 3.3Å; L195-L199 VanDerWaalsContact O-N 3.17Å; T196-L199 PolarHBondContact O-N 2.96Å; L199-G202 PolarHBondContact O-N 2.95Å; L199-S203 WeakPolarHBondContact O-CB 3.47Å; L199-S203 PolarHBondContact O-N 3.49Å; L199-S203 PolarHBondContact O-OG 3.39Å; L199-I348 HydrophobicContact CB-CG2 4.45Å; L199-I348 HydrophobicContact CD1-CG2 4.27Å; L199-I348 HydrophobicContact CD2-CG2 4.13Å; L199-A352 HydrophobicContact CB-CB 4.17Å; L199-A352 HydrophobicContact CD1-CB 4.26Å
200V92.8Very high90.8Very high1 Ų141.5 Ų41.51%0.00623%0.229CC..Hα-helixtrans-67.3-44.9178.5174.80000110.8L49 F52 F57 T196 F197 G202 S203 L204 A352 T353L49-V200 HydrophobicContact CD2-CB 4.2Å; L49-V200 HydrophobicContact CD2-CG2 4.01Å; F52-V200 HydrophobicContact CD2-CG1 4.44Å; F57-V200 HydrophobicContact CE2-CG1 4.41Å; T196-V200 WeakPolarHBondContact O-CB 3.43Å; T196-V200 VanDerWaalsContact O-CG2 3.26Å; T196-V200 WeakPolarHBondContact O-CG2 3.31Å; T196-V200 PolarHBondContact O-N 3.44Å; F197-V200 PolarHBondContact O-N 2.99Å; V200-G202 PolarHBondContact O-N 3.44Å; V200-S203 WeakPolarHBondContact CA-OG 3.32Å; V200-S203 PolarHBondContact O-N 2.84Å; V200-S203 PolarHBondContact O-OG 2.97Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.42Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 WeakPolarHBondContact O-CG 3.44Å; V200-L204 PolarHBondContact O-N 3.33Å; V200-A352 HydrophobicContact CG2-CB 4.16Å; V200-T353 WeakPolarHBondContact CG2-OG1 3.28Å
201S92.1Very high91.2Very high27 Ų2741.2 Ų41.219%0.18923%0.226CC..Hα-helixtrans-64.4-40.2177.1-57.60000111.9F197 A205F197-S201 WeakPolarHBondContact CZ-OG 3.31Å; F197-S201 VanDerWaalsContact O-CB 3.23Å; F197-S201 WeakPolarHBondContact O-CB 3.42Å; F197-S201 PolarHBondContact O-N 3.47Å; F197-S201 PolarHBondContact O-OG 2.82Å; S201-A205 WeakPolarHBondContact O-CB 3.46Å; S201-A205 PolarHBondContact O-N 2.83Å
202G93.4Very high91.3Very high34 Ų3437.3 Ų37.335%0.35122%0.223SC..Hα-helixtrans-65.6-41.3176.200000113.2L198 L199 V200 S206L198-G202 PolarHBondContact O-N 3.24Å; L199-G202 PolarHBondContact O-N 2.95Å; V200-G202 PolarHBondContact O-N 3.44Å; G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.92Å
203S93.7Very high91.3Very high0 Ų039.1 Ų39.10%024%0.238CC..Hα-helixtrans-68.5-41.6175.354.30000112.4F57 L199 V200 S206 V207 L345 G349F57-S203 WeakPolarHBondContact CZ-OG 3.35Å; L199-S203 WeakPolarHBondContact O-CB 3.47Å; L199-S203 PolarHBondContact O-N 3.49Å; L199-S203 PolarHBondContact O-OG 3.39Å; V200-S203 WeakPolarHBondContact CA-OG 3.32Å; V200-S203 PolarHBondContact O-N 2.84Å; V200-S203 PolarHBondContact O-OG 2.97Å; S203-S206 WeakPolarHBondContact O-CB 3.25Å; S203-S206 PolarHBondContact O-N 3.46Å; S203-V207 WeakPolarHBondContact O-CG2 3.23Å; S203-V207 PolarHBondContact O-N 3.46Å; S203-L345 WeakPolarHBondContact CB-O 3.26Å; S203-G349 VanDerWaalsContact OG-CA 3.27Å; S203-G349 WeakPolarHBondContact OG-CA 3.27Å
204L92.3Very high91.3Very high6 Ų639.8 Ų39.83%0.03124%0.242CC..Hα-helixtrans-61.2-44.8172.9-74.9173.2000112F52 V56 F57 V200 S206 V207 L208 L316F52-L204 HydrophobicContact CD2-CD1 3.86Å; F52-L204 HydrophobicContact CE2-CD1 3.71Å; F52-L204 HydrophobicContact CZ-CD1 4.27Å; V56-L204 HydrophobicContact CG1-CD2 4.47Å; V56-L204 HydrophobicContact CG2-CD2 4.13Å; F57-L204 HydrophobicContact CE1-CD2 3.91Å; F57-L204 HydrophobicContact CE1-CG 4.41Å; F57-L204 HydrophobicContact CE2-CD2 4.35Å; F57-L204 HydrophobicContact CZ-CD2 3.69Å; F57-L204 HydrophobicContact CZ-CG 3.82Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.42Å; V200-L204 WeakPolarHBondContact O-CB 3.26Å; V200-L204 WeakPolarHBondContact O-CG 3.44Å; V200-L204 PolarHBondContact O-N 3.33Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 2.8Å; L204-V207 PolarHBondContact O-N 2.83Å; L204-L208 WeakPolarHBondContact O-CG 3.29Å; L204-L208 PolarHBondContact O-N 2.79Å; L204-L316 HydrophobicContact CD2-CD1 4.25Å
205A93.1Very high90.9Very high51 Ų5138 Ų3842%0.42125%0.246SC..Hα-helixtrans-59.9-41.8175.500000111.4S201 L208 V209S201-A205 WeakPolarHBondContact O-CB 3.46Å; S201-A205 PolarHBondContact O-N 2.83Å; A205-L208 PolarHBondContact O-N 2.85Å; A205-V209 VanDerWaalsContact O-CG2 3.32Å; A205-V209 WeakPolarHBondContact O-CG2 3.35Å; A205-V209 PolarHBondContact O-N 3.16Å
206S93.1Very high90.5Very high22 Ų2237.7 Ų37.715%0.15425%0.25CC..Hα-helixtrans-62.9-41.4174.9-178.10000112.5G202 S203 L204 V209 S210 L345G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.92Å; S203-S206 WeakPolarHBondContact O-CB 3.25Å; S203-S206 PolarHBondContact O-N 3.46Å; L204-S206 VanDerWaalsContact C-N 3.29Å; L204-S206 PolarHBondContact O-N 2.8Å; S206-V209 PolarHBondContact O-N 3.33Å; S206-S210 WeakPolarHBondContact O-CB 3.39Å; S206-S210 PolarHBondContact O-N 3.36Å; S206-S210 PolarHBondContact O-OG 2.84Å; S206-L345 VanDerWaalsContact CB-CD2 3.44Å
207V91.9Very high90.1Very high2 Ų242.8 Ų42.81%0.01227%0.268CS..Hα-helixtrans-61.1-46.6174.7167.60000111F57 S203 L204 V209 S210 F211 L316 F336 V346F57-V207 HydrophobicContact CE1-CG2 4.22Å; S203-V207 WeakPolarHBondContact O-CG2 3.23Å; S203-V207 PolarHBondContact O-N 3.46Å; L204-V207 PolarHBondContact O-N 2.83Å; V207-V209 VanDerWaalsContact C-N 3.35Å; V207-V209 PolarHBondContact O-N 3.36Å; V207-S210 WeakPolarHBondContact O-CB 3.31Å; V207-S210 PolarHBondContact O-N 3.45Å; V207-F211 HydrophobicContact CG1-CD2 4.23Å; V207-F211 HydrophobicContact CG1-CE2 3.8Å; V207-F211 VanDerWaalsContact O-CD2 3.29Å; V207-F211 WeakPolarHBondContact O-CD2 3.02Å; V207-F211 PolarHBondContact O-N 3.26Å; V207-L316 HydrophobicContact CG1-CD2 4.24Å; V207-F336 HydrophobicContact CG1-CD1 3.36Å; V207-F336 HydrophobicContact CG1-CE1 3.49Å; V207-F336 VanDerWaalsContact CG1-CE1 3.49Å; V207-F336 HydrophobicContact CG1-CG 4.12Å; V207-F336 HydrophobicContact CG1-CZ 4.36Å; V207-F336 HydrophobicContact CG2-CB 4.35Å; V207-F336 HydrophobicContact CG2-CD1 4.4Å; V207-F336 HydrophobicContact CG2-CG 4.45Å; V207-V346 HydrophobicContact CG2-CG2 3.81Å
208L92.3Very high89.5Confident38 Ų3847.1 Ų47.120%0.19929%0.292CS..Hα-helixtrans-60.7-42.7177.8-69.1176.1000112.3L204 A205 S210 L315 L316 L319L204-L208 WeakPolarHBondContact O-CG 3.29Å; L204-L208 PolarHBondContact O-N 2.79Å; A205-L208 PolarHBondContact O-N 2.85Å; L208-S210 VanDerWaalsContact C-N 3.28Å; L208-S210 PolarHBondContact O-N 3.5Å; L208-L315 HydrophobicContact CD1-CD2 3.92Å; L208-L315 HydrophobicContact CD2-CD2 3.64Å; L208-L315 HydrophobicContact CD2-CG 3.91Å; L208-L315 HydrophobicContact CG-CD2 4.43Å; L208-L316 HydrophobicContact CD2-CD2 3.68Å; L208-L316 HydrophobicContact CD2-CG 4.41Å; L208-L319 HydrophobicContact CD2-CD1 3.63Å
209V91.7Very high88.8Confident83 Ų8343.3 Ų43.350%0.50327%0.272SS..Hα-helixtrans-65.3-35.5173.9172.10000111A205 S206 V207 F211 V212 A213A205-V209 VanDerWaalsContact O-CG2 3.32Å; A205-V209 WeakPolarHBondContact O-CG2 3.35Å; A205-V209 PolarHBondContact O-N 3.16Å; S206-V209 PolarHBondContact O-N 3.33Å; V207-V209 VanDerWaalsContact C-N 3.35Å; V207-V209 PolarHBondContact O-N 3.36Å; V209-F211 VanDerWaalsContact C-N 3.33Å; V209-F211 PolarHBondContact O-N 2.99Å; V209-V212 PolarHBondContact O-N 3.32Å; V209-A213 HydrophobicContact CG1-CB 4.25Å; V209-A213 WeakPolarHBondContact O-CB 3.41Å; V209-A213 PolarHBondContact O-N 2.87Å
210S90.5Very high87.8Confident0 Ų044.6 Ų44.60%028%0.283CS..Hα-helixtrans-65.4-34.4-177.8-58.70000113.4S206 V207 L208 V212 V214 I339 S340 L341S206-S210 WeakPolarHBondContact O-CB 3.39Å; S206-S210 PolarHBondContact O-N 3.36Å; S206-S210 PolarHBondContact O-OG 2.84Å; V207-S210 WeakPolarHBondContact O-CB 3.31Å; V207-S210 PolarHBondContact O-N 3.45Å; L208-S210 VanDerWaalsContact C-N 3.28Å; L208-S210 PolarHBondContact O-N 3.5Å; S210-V212 PolarHBondContact O-N 3.45Å; S210-V212 VanDerWaalsContact O-N 3.17Å; S210-V214 WeakPolarHBondContact O-CB 3.35Å; S210-V214 WeakPolarHBondContact O-CG2 3.48Å; S210-V214 PolarHBondContact O-N 2.86Å; S210-V214 VanDerWaalsContact O-N 3.14Å; S210-I339 WeakPolarHBondContact CB-O 3.25Å; S210-S340 WeakPolarHBondContact OG-CA 3.18Å; S210-L341 VanDerWaalsContact CA-CD1 3.41Å; S210-L341 VanDerWaalsContact OG-CD1 3.3Å; S210-L341 WeakPolarHBondContact OG-CD1 3.39Å; S210-L341 PolarHBondContact OG-N 3.36Å
211F88.4Confident86.7Confident1 Ų145.3 Ų45.30%0.00429%0.287CS..Hα-helixtrans-58.7-26.3172.4-79.5-67.5000113.9V207 V209 F239 F242 L316 L319 T323 F335 F336 I339V207-F211 HydrophobicContact CG1-CD2 4.23Å; V207-F211 HydrophobicContact CG1-CE2 3.8Å; V207-F211 VanDerWaalsContact O-CD2 3.29Å; V207-F211 WeakPolarHBondContact O-CD2 3.02Å; V207-F211 PolarHBondContact O-N 3.26Å; V209-F211 VanDerWaalsContact C-N 3.33Å; V209-F211 PolarHBondContact O-N 2.99Å; F211-F239 HydrophobicContact CD1-CE2 4.18Å; F211-F242 WeakPolarHBondContact O-CE2 3.48Å; F211-L316 HydrophobicContact CE2-CD2 4.18Å; F211-L319 HydrophobicContact CB-CD1 4.39Å; F211-L319 HydrophobicContact CD1-CB 4.22Å; F211-L319 HydrophobicContact CD2-CB 3.98Å; F211-L319 HydrophobicContact CD2-CD1 3.93Å; F211-L319 HydrophobicContact CE1-CB 4.34Å; F211-L319 HydrophobicContact CE2-CB 4.08Å; F211-L319 HydrophobicContact CG-CB 4.02Å; F211-L319 HydrophobicContact CG-CD1 4.32Å; F211-L319 HydrophobicContact CZ-CB 4.24Å; F211-T323 HydrophobicContact CD1-CG2 4Å; F211-T323 WeakPolarHBondContact CD1-OG1 3.33Å; F211-T323 WeakPolarHBondContact CE1-OG1 3.33Å; F211-F335 HydrophobicContact CZ-CE2 4.31Å; F211-F336 HydrophobicContact CE2-CD1 4.32Å; F211-F336 AromaticContact CE2-CE1 3.68Å; F211-F336 HydrophobicContact CE2-CE1 3.68Å; F211-F336 HydrophobicContact CZ-CD1 4.21Å; F211-F336 AromaticContact CZ-CE1 3.56Å; F211-F336 HydrophobicContact CZ-CE1 3.56Å; F211-I339 HydrophobicContact CD1-CD1 3.92Å; F211-I339 HydrophobicContact CE1-CD1 3.45Å; F211-I339 VanDerWaalsContact CE1-CD1 3.45Å; F211-I339 HydrophobicContact CE2-CD1 4.38Å; F211-I339 HydrophobicContact CZ-CD1 3.74Å
212V88.2Confident85.4Confident103 Ų10347.4 Ų47.462%0.62431%0.306SS*.Hα-helixtrans-100.9-38.4-177.7-173.30000112.8V209 S210 F242V209-V212 PolarHBondContact O-N 3.32Å; S210-V212 PolarHBondContact O-N 3.45Å; S210-V212 VanDerWaalsContact O-N 3.17Å; V212-F242 HydrophobicContact CB-CE2 4.28Å; V212-F242 HydrophobicContact CG1-CE2 4.44Å; V212-F242 HydrophobicContact CG2-CE2 3.9Å; V212-F242 HydrophobicContact CG2-CZ 3.97Å
213A87.2Confident83.7Confident66 Ų6650.1 Ų50.155%0.54532%0.317SS..Hα-helixtrans-88.8-21-172.200000114V209 L341V209-A213 HydrophobicContact CG1-CB 4.25Å; V209-A213 WeakPolarHBondContact O-CB 3.41Å; V209-A213 PolarHBondContact O-N 2.87Å; A213-L341 HydrophobicContact CB-CD1 3.85Å; A213-L341 HydrophobicContact CB-CD2 4.33Å
214V85.7Confident82Confident13 Ų1354.2 Ų54.28%0.07933%0.332CS..SBendtrans-88.6131.7179.7-176.30000110.4S210 F239 I339 L341S210-V214 WeakPolarHBondContact O-CB 3.35Å; S210-V214 WeakPolarHBondContact O-CG2 3.48Å; S210-V214 PolarHBondContact O-N 2.86Å; S210-V214 VanDerWaalsContact O-N 3.14Å; V214-F239 HydrophobicContact CB-CE1 4.23Å; V214-F239 HydrophobicContact CG1-CE1 4.22Å; V214-F239 WeakPolarHBondContact O-CE1 3.36Å; V214-I339 WeakPolarHBondContact CG2-O 3.39Å; V214-L341 HydrophobicContact CG2-CD1 3.4Å; V214-L341 HydrophobicContact CG2-CG 4.04Å
215G81.9Confident80.1Confident42 Ų4259.7 Ų59.743%0.43337%0.369SS..PPolyproline II helixtrans-75.9172.2173.700000113.1R217 F239G215-R217 PolarHBondContact O-N 3.26Å; G215-F239 WeakPolarHBondContact O-CD1 3.16Å
216P82.9Confident78.2Confident101 Ų10158 Ų5866%0.65636%0.357SS*.PPolyproline II helixtrans-57.7135.6-178.5-23.233.5000112.7F239P216-F239 CarbonylContact C-O 3.53Å; P216-F239 WeakPolarHBondContact CA-O 3.44Å; P216-F239 WeakPolarHBondContact CB-O 3.43Å
217R82.1Confident76.2Confident120 Ų12064.1 Ų64.145%0.45339%0.393SS..EExtended strand (participates in β ladder)trans-137.9145.8-177.8-72.4-177.2-179.3175.62111.3G215 F239G215-R217 PolarHBondContact O-N 3.26Å; R217-F239 HydrophobicContact CB-CB 4.42Å; R217-F239 PolarHBondContact N-O 3.37Å; R217-F239 WeakPolarHBondContact O-CB 3.28Å; R217-F239 PolarHBondContact O-N 3.46Å
218N80.1Confident74.5Confident119 Ų11971.1 Ų71.164%0.63643%0.43SS*.EExtended strand (participates in β ladder)trans-99.5124.3172.6-63.2-17.5000108.6H238N218-H238 PolarHBondContact OD1-CE1 2.91Å; N218-H238 PolarHBondContact OD1-ND1 3.3Å
219I78.6Confident72.7Confident14 Ų1472.9 Ų72.97%0.07246%0.458CS..EExtended strand (participates in β ladder)trans-109.7128-178.5-62.6162.1000107.5H236 G237 F239 L328 D338 I339I219-H236 WeakPolarHBondContact O-CA 3.39Å; I219-G237 PolarHBondContact N-O 3.48Å; I219-G237 PolarHBondContact O-N 2.91Å; I219-F239 HydrophobicContact CD1-CB 4.5Å; I219-L328 HydrophobicContact CB-CD1 3.94Å; I219-L328 HydrophobicContact CD1-CD1 3.73Å; I219-L328 HydrophobicContact CD1-CD2 3.72Å; I219-L328 HydrophobicContact CD1-CG 4.39Å; I219-L328 HydrophobicContact CG1-CD1 4.45Å; I219-L328 HydrophobicContact CG2-CD1 3.93Å; I219-D338 HydrophobicContact CD1-CB 3.65Å; I219-D338 HydrophobicContact CG1-CB 4.09Å; I219-D338 HydrophobicContact CG2-CB 4.32Å; I219-D338 WeakPolarHBondContact CG2-OD2 3.3Å; I219-I339 HydrophobicContact CD1-CG2 4.06Å
220T72.4Confident70.8Confident94 Ų9472.5 Ų72.558%0.57746%0.459SS*.EExtended strand (participates in β ladder)trans-79.6118.1175.145.30000109.1
221L70Confident68.9Low16 Ų1677.3 Ų77.38%0.08449%0.493CS..PPolyproline II helixtrans-79.9150.3177.6-55.4168.5000110.2R235 A327 L328 D332L221-R235 WeakPolarHBondContact CB-O 3.23Å; L221-R235 HydrophobicContact CD1-CB 4.21Å; L221-R235 HydrophobicContact CD1-CG 4.26Å; L221-R235 WeakPolarHBondContact CG-O 3.43Å; L221-R235 PolarHBondContact N-O 3.18Å; L221-A327 HydrophobicContact CD1-CB 4.44Å; L221-A327 WeakPolarHBondContact CD1-O 3.38Å; L221-L328 HydrophobicContact CD2-CD1 3.94Å; L221-D332 HydrophobicContact CD2-CB 4.16Å
222A63.5Low67.3Low71 Ų7181 Ų8159%0.58752%0.515SS*.PPolyproline II helixtrans-57.9138.8174.200000110.8R224A222-R224 PolarHBondContact O-N 2.75Å
223P58.9Low65.8Low91 Ų9180.8 Ų80.859%0.59152%0.516SS*.PPolyproline II helixtrans-61.2126.6179.3-18.829.7000111.1
224R57.4Low64.4Low85 Ų8581.6 Ų81.632%0.32152%0.515SS..PPolyproline II helixtrans-74.8134.2169.2-71.3-176.2-179-174.3-4.2109.3A222 G226A222-R224 PolarHBondContact O-N 2.75Å; R224-G226 PolarHBondContact O-N 3.29Å; R224-G226 VanDerWaalsContact O-N 3.12Å
225P52.9Low63.5Low122 Ų12287.7 Ų87.779%0.79254%0.537SS*.BIsolated β-bridgetrans-63.9114.8168.224.7-29.4000108.3
226G51.7Low63.1Low16 Ų1689.7 Ų89.717%0.16554%0.535CS..  trans-66.6152175.900000111R224 N228 G229 S230R224-G226 PolarHBondContact O-N 3.29Å; R224-G226 VanDerWaalsContact O-N 3.12Å; G226-N228 PolarHBondContact O-N 3.42Å; G226-G229 PolarHBondContact O-N 3.24Å; G226-S230 WeakPolarHBondContact CA-O 3.5Å; G226-S230 PolarHBondContact N-O 3.31Å
227T52.3Low62.9Low149 Ų14984.9 Ų84.991%0.91450%0.504SS*.THydrogen-bonded Turntrans-54.6-18.1-179.2-30.90000113.7
228N56Low63Low149 Ų14982.4 Ų82.480%0.79750%0.497SS*.THydrogen-bonded Turntrans-119.416.6-178-64.3-9.9000113.9G226 S230G226-N228 PolarHBondContact O-N 3.42Å; N228-S230 PolarHBondContact O-N 2.94Å
229G55.3Low63.4Low76 Ų7676.8 Ų76.878%0.78447%0.467SS*.SBendtrans73.15.3-177.500000114.9G226G226-G229 PolarHBondContact O-N 3.24Å
230S50.5Low63.6Low74 Ų7478.1 Ų78.152%0.51748%0.476SS..  trans-81.1126.6165.844.60000109.8G226 N228 V232G226-S230 WeakPolarHBondContact CA-O 3.5Å; G226-S230 PolarHBondContact N-O 3.31Å; N228-S230 PolarHBondContact O-N 2.94Å; S230-V232 PolarHBondContact O-N 3.32Å; S230-V232 VanDerWaalsContact O-N 3.12Å
231S50.6Low64.2Low102 Ų10274.1 Ų74.171%0.71345%0.453SS*.BIsolated β-bridgetrans-64.8111167.3430000108.4
232V55.6Low65.1Low77 Ų7778 Ų7847%0.46747%0.47SS..PPolyproline II helixtrans-56.9140169.5179.80000107.4S230S230-V232 PolarHBondContact O-N 3.32Å; S230-V232 VanDerWaalsContact O-N 3.12Å
233P56.5Low66.3Low100 Ų10077.7 Ų77.765%0.64946%0.458SS*.PPolyproline II helixtrans-50.6146178.518.3-32.2000111.3R235P233-R235 PolarHBondContact O-N 2.93Å
234P58.2Low67.8Low83 Ų8375.2 Ų75.254%0.53945%0.449SS..PPolyproline II helixtrans-55.7116.3-177.421.9-31.7000109.3
235R65.6Low69.3Low140 Ų14073.9 Ų73.953%0.52845%0.453SS..PPolyproline II helixtrans-81.6130.7176.8-164.2172.5178.3-178.2-2.5107.3L221 P233L221-R235 WeakPolarHBondContact CB-O 3.23Å; L221-R235 HydrophobicContact CD1-CB 4.21Å; L221-R235 HydrophobicContact CD1-CG 4.26Å; L221-R235 WeakPolarHBondContact CG-O 3.43Å; L221-R235 PolarHBondContact N-O 3.18Å; P233-R235 PolarHBondContact O-N 2.93Å
236H73.9Confident71.1Confident84 Ų8468.4 Ų68.439%0.38942%0.417SS..EExtended strand (participates in β ladder)trans-94.3132.5176.6-65.1-81.4000109.5I219I219-H236 WeakPolarHBondContact O-CA 3.39Å
237G78Confident73Confident0 Ų069.2 Ų69.20%042%0.417CS..EExtended strand (participates in β ladder)trans-93.1138.5164.800000109I219I219-G237 PolarHBondContact N-O 3.48Å; I219-G237 PolarHBondContact O-N 2.91Å
238H85.2Confident74.9Confident69 Ų6969.7 Ų69.732%0.31941%0.407SS..EExtended strand (participates in β ladder)trans-110.1123.9-178.7-62.2-77.2000110.3N218 T240 D325N218-H238 PolarHBondContact OD1-CE1 2.91Å; N218-H238 PolarHBondContact OD1-ND1 3.3Å; H238-T240 HydrophobicContact CB-CG2 4.07Å; H238-D325 HydrophobicContact CB-CB 4.19Å; H238-D325 WeakPolarHBondContact O-CB 3.33Å; H238-D325 PolarHBondContact O-N 3.34Å
239F87.3Confident76.5Confident1 Ų167.3 Ų67.30%0.00439%0.394CS..EExtended strand (participates in β ladder)trans-88104.6159.9-179-106.2000107.1F211 V214 G215 P216 R217 I219 T323 I339F211-F239 HydrophobicContact CD1-CE2 4.18Å; V214-F239 HydrophobicContact CB-CE1 4.23Å; V214-F239 HydrophobicContact CG1-CE1 4.22Å; V214-F239 WeakPolarHBondContact O-CE1 3.36Å; G215-F239 WeakPolarHBondContact O-CD1 3.16Å; P216-F239 CarbonylContact C-O 3.53Å; P216-F239 WeakPolarHBondContact CA-O 3.44Å; P216-F239 WeakPolarHBondContact CB-O 3.43Å; R217-F239 HydrophobicContact CB-CB 4.42Å; R217-F239 PolarHBondContact N-O 3.37Å; R217-F239 WeakPolarHBondContact O-CB 3.28Å; R217-F239 PolarHBondContact O-N 3.46Å; I219-F239 HydrophobicContact CD1-CB 4.5Å; F239-T323 WeakPolarHBondContact CD2-O 3.49Å; F239-T323 HydrophobicContact CE2-CG2 4.49Å; F239-I339 HydrophobicContact CB-CG2 4.11Å; F239-I339 HydrophobicContact CD2-CB 4.15Å; F239-I339 HydrophobicContact CD2-CG2 3.48Å; F239-I339 VanDerWaalsContact CD2-CG2 3.48Å; F239-I339 HydrophobicContact CE2-CB 4.14Å; F239-I339 HydrophobicContact CE2-CD1 4.15Å; F239-I339 HydrophobicContact CE2-CG2 3.97Å; F239-I339 HydrophobicContact CG-CG2 3.8Å
240T83.3Confident78.3Confident42 Ų4263.7 Ų63.726%0.25836%0.356SS..  trans-90.2-8.7-171.951.50000112.8H238 T246 T323H238-T240 HydrophobicContact CB-CG2 4.07Å; T240-T246 PolarHBondContact OG1-OG1 3.35Å; T240-T323 PolarHBondContact N-O 3.45Å; T240-T323 PolarHBondContact OG1-O 3.49Å
241G86.5Confident80.3Confident9 Ų963 Ų639%0.09335%0.347CS..  trans67.4-167.7-165.400000111N243 T323G241-N243 PolarHBondContact O-N 3Å; G241-T323 PolarHBondContact N-O 3.02Å; G241-T323 WeakPolarHBondContact O-CA 3.44Å
242F87.4Confident82.2Confident99 Ų9960 Ų6043%0.43433%0.331SS..SBendtrans-63.799.8-178.8-71.4-75.6000112.1F211 V212 L319 F322 T323F211-F242 WeakPolarHBondContact O-CE2 3.48Å; V212-F242 HydrophobicContact CB-CE2 4.28Å; V212-F242 HydrophobicContact CG1-CE2 4.44Å; V212-F242 HydrophobicContact CG2-CE2 3.9Å; V212-F242 HydrophobicContact CG2-CZ 3.97Å; F242-L319 HydrophobicContact CE1-CD2 3.83Å; F242-L319 HydrophobicContact CZ-CD2 3.92Å; F242-F322 HydrophobicContact CB-CE1 4.49Å; F242-F322 AromaticContact CD1-CD1 3.35Å; F242-F322 HydrophobicContact CD1-CD1 3.35Å; F242-F322 AromaticContact CD1-CE1 3.56Å; F242-F322 HydrophobicContact CD1-CE1 3.56Å; F242-F322 HydrophobicContact CD1-CG 4.03Å; F242-F322 HydrophobicContact CD1-CZ 4.44Å; F242-F322 AromaticContact CE1-CD1 3.82Å; F242-F322 HydrophobicContact CE1-CD1 3.82Å; F242-F322 HydrophobicContact CE1-CE1 4.28Å; F242-F322 HydrophobicContact CG-CE1 4.48Å; F242-T323 HydrophobicContact CD1-CG2 4.07Å; F242-T323 HydrophobicContact CE1-CG2 4.06Å; F242-T323 HydrophobicContact CG-CG2 4.36Å; F242-T323 HydrophobicContact CZ-CG2 4.33Å
243N89.9Confident84Confident64 Ų6459 Ų5934%0.34233%0.331SS..  trans-134.5124.1-179.1-171-10.1000112.3G241 S245 T246 L247 F322G241-N243 PolarHBondContact O-N 3Å; N243-S245 VanDerWaalsContact C-N 3.28Å; N243-S245 VanDerWaalsContact CG-OG 3.29Å; N243-S245 PolarHBondContact ND2-OG 2.78Å; N243-S245 VanDerWaalsContact ND2-OG 3.13Å; N243-S245 PolarHBondContact O-N 2.93Å; N243-S245 PolarHBondContact OD1-N 3.48Å; N243-S245 PolarHBondContact OD1-OG 3.27Å; N243-S245 VanDerWaalsContact OD1-OG 3.06Å; N243-T246 PolarHBondContact O-N 3.41Å; N243-L247 PolarHBondContact O-N 3.01Å; N243-L247 VanDerWaalsContact O-N 3.14Å; N243-F322 PolarHBondContact N-O 2.76Å; N243-F322 WeakPolarHBondContact O-CD2 3.39Å; N243-F322 WeakPolarHBondContact O-CE2 3.48Å
244G89.4Confident85.5Confident39 Ų3955.1 Ų55.140%0.40231%0.31SS..Hα-helixtrans-64.4-26178.600000114.5K248G244-K248 WeakPolarHBondContact O-CG 3.35Å; G244-K248 PolarHBondContact O-N 2.89Å
245S90.1Very high86.9Confident57 Ų5754 Ų5440%0.39930%0.295SS..Hα-helixtrans-70.5-46.6174.465.90000110.9N243 L247 K248 D249N243-S245 VanDerWaalsContact C-N 3.28Å; N243-S245 VanDerWaalsContact CG-OG 3.29Å; N243-S245 PolarHBondContact ND2-OG 2.78Å; N243-S245 VanDerWaalsContact ND2-OG 3.13Å; N243-S245 PolarHBondContact O-N 2.93Å; N243-S245 PolarHBondContact OD1-N 3.48Å; N243-S245 PolarHBondContact OD1-OG 3.27Å; N243-S245 VanDerWaalsContact OD1-OG 3.06Å; S245-L247 VanDerWaalsContact C-N 3.28Å; S245-L247 PolarHBondContact O-N 3.41Å; S245-K248 WeakPolarHBondContact O-CB 3.44Å; S245-K248 PolarHBondContact O-N 3.42Å; S245-D249 VanDerWaalsContact O-CG 3.3Å; S245-D249 PolarHBondContact O-N 3.25Å
246T89.5Confident87.9Confident6 Ų648.3 Ų48.34%0.03728%0.278CS..Hα-helixtrans-57.8-41.6176.5-56.70000111.4T240 N243 D249 N250 C324T240-T246 PolarHBondContact OG1-OG1 3.35Å; N243-T246 PolarHBondContact O-N 3.41Å; T246-D249 PolarHBondContact O-N 2.88Å; T246-N250 WeakPolarHBondContact O-CB 3.27Å; T246-N250 PolarHBondContact O-N 3.41Å; T246-N250 PolarHBondContact O-ND2 3.01Å; T246-C324 WeakPolarHBondContact CG2-O 3.38Å
247L91.6Very high88.3Confident33 Ų3349.6 Ų49.617%0.17328%0.284CS..Hα-helixtrans-58.6-50.8173.8-174.661.6000111.6L69 N243 S245 D249 N250 L251 F322L69-L247 HydrophobicContact CD2-CD1 3.73Å; N243-L247 PolarHBondContact O-N 3.01Å; N243-L247 VanDerWaalsContact O-N 3.14Å; S245-L247 VanDerWaalsContact C-N 3.28Å; S245-L247 PolarHBondContact O-N 3.41Å; L247-D249 VanDerWaalsContact C-N 3.26Å; L247-D249 PolarHBondContact O-N 3.28Å; L247-N250 CarbonylContact O-C 3.19Å; L247-N250 PolarHBondContact O-N 3.28Å; L247-L251 HydrophobicContact CG-CD1 4.05Å; L247-L251 WeakPolarHBondContact O-CD1 3.36Å; L247-L251 PolarHBondContact O-N 3.05Å; L247-F322 HydrophobicContact CB-CD2 3.67Å; L247-F322 HydrophobicContact CB-CE2 4.12Å; L247-F322 HydrophobicContact CD1-CB 4.32Å; L247-F322 HydrophobicContact CD1-CD2 4.45Å; L247-F322 HydrophobicContact CD2-CD2 4.04Å; L247-F322 HydrophobicContact CD2-CE2 4.1Å; L247-F322 HydrophobicContact CG-CD2 4.27Å
248K91.9Very high88.5Confident160 Ų16049.7 Ų49.770%0.69629%0.285SS*.Hα-helixtrans-57.2-40.3179.9-76.1177.9-177.6-177.50112.1G244 S245 N250 L251G244-K248 WeakPolarHBondContact O-CG 3.35Å; G244-K248 PolarHBondContact O-N 2.89Å; S245-K248 WeakPolarHBondContact O-CB 3.44Å; S245-K248 PolarHBondContact O-N 3.42Å; K248-N250 VanDerWaalsContact C-N 3.3Å; K248-N250 PolarHBondContact O-N 3.44Å; K248-L251 HydrophobicContact CG-CD1 4.44Å; K248-L251 PolarHBondContact O-N 3.08Å
249D90.2Very high87.8Confident98 Ų9849.8 Ų49.852%0.52428%0.283SS..Hα-helixtrans-68.3-33.3178.6-62.5-27.4000111.6S245 T246 L247 R326S245-D249 VanDerWaalsContact O-CG 3.3Å; S245-D249 PolarHBondContact O-N 3.25Å; T246-D249 PolarHBondContact O-N 2.88Å; L247-D249 VanDerWaalsContact C-N 3.26Å; L247-D249 PolarHBondContact O-N 3.28Å; D249-R326 PolarHBondContact O-NH2 3.09Å
250N93.3Very high87Confident0 Ų053.3 Ų53.30%030%0.304CS..Hα-helixtrans-86.3-5177.9-74.6-38.3000115.3G68 L69 T246 L247 K248 G252 S321 C324 R326G68-N250 CarbonylContact C-O 3.57Å; G68-N250 WeakPolarHBondContact CA-O 3.44Å; L69-N250 PolarHBondContact N-O 3.04Å; T246-N250 WeakPolarHBondContact O-CB 3.27Å; T246-N250 PolarHBondContact O-N 3.41Å; T246-N250 PolarHBondContact O-ND2 3.01Å; L247-N250 CarbonylContact O-C 3.19Å; L247-N250 PolarHBondContact O-N 3.28Å; K248-N250 VanDerWaalsContact C-N 3.3Å; K248-N250 PolarHBondContact O-N 3.44Å; N250-G252 PolarHBondContact O-N 2.72Å; N250-S321 PolarHBondContact ND2-O 3.14Å; N250-C324 PolarHBondContact ND2-O 3.19Å; N250-R326 WeakPolarHBondContact OD1-CB 3.44Å
251L92.1Very high86.4Confident61 Ų6154 Ų5432%0.31931%0.309SS..SBendtrans-65.3-40.9-177-105.4120.1000112.6L70 L247 K248L70-L251 HydrophobicContact CD1-CD2 3.88Å; L70-L251 HydrophobicContact CD2-CD2 4.38Å; L70-L251 HydrophobicContact CG-CD2 4Å; L70-L251 PolarHBondContact N-O 3.42Å; L247-L251 HydrophobicContact CG-CD1 4.05Å; L247-L251 WeakPolarHBondContact O-CD1 3.36Å; L247-L251 PolarHBondContact O-N 3.05Å; K248-L251 HydrophobicContact CG-CD1 4.44Å; K248-L251 PolarHBondContact O-N 3.08Å
252G91.4Very high85.7Confident37 Ų3756 Ų5638%0.38133%0.329SS..SBendtrans-89.5168-177.200000114.3G68 N250 R326G68-G252 VanDerWaalsContact CA-O 3.26Å; G68-G252 WeakPolarHBondContact CA-O 3.4Å; N250-G252 PolarHBondContact O-N 2.72Å; G252-R326 PolarHBondContact O-NH2 3.48Å
253A91.7Very high85.4Confident56 Ų5653.5 Ų53.546%0.46333%0.327SS..  trans-73.7148.1174.600000111.9A67 Y255A67-A253 VanDerWaalsContact O-CA 3.3Å; A67-A253 WeakPolarHBondContact O-CA 3.2Å; A253-Y255 HydrophobicContact CB-CD2 4.29Å; A253-Y255 HydrophobicContact CB-CE2 3.93Å
254G88.5Confident85.1Confident20 Ų2056.1 Ų56.121%0.20634%0.338CS..  trans-15152.9-177.100000111.8H66 A256 Q330H66-G254 CarbonylContact O-C 3.41Å; H66-G254 PolarHBondContact O-N 3Å; G254-A256 PolarHBondContact O-N 3.28Å; G254-A256 VanDerWaalsContact O-N 3.1Å; G254-Q330 PolarHBondContact O-NE2 3.4Å
255Y88.7Confident85Confident60 Ų6055.2 Ų55.224%0.23532%0.324CS..  trans-57.3115.8-178.3-65.4-74.1000111.6H66 Q71 M75 A253 M264 M265 F267 V270H66-Y255 HydrophobicContact CB-CD1 4.06Å; H66-Y255 HydrophobicContact CB-CE1 4.41Å; H66-Y255 PolarHBondContact O-N 3.41Å; Q71-Y255 PolarHBondContact NE2-OH 3.27Å; Q71-Y255 PolarHBondContact OE1-OH 3.32Å; M75-Y255 WeakPolarHBondContact CE-OH 3.12Å; A253-Y255 HydrophobicContact CB-CD2 4.29Å; A253-Y255 HydrophobicContact CB-CE2 3.93Å; Y255-M264 WeakPolarHBondContact O-CE 3.49Å; Y255-M265 WeakPolarHBondContact CB-O 3.05Å; Y255-M265 HydrophobicContact CD1-CB 4.39Å; Y255-F267 WeakPolarHBondContact OH-CA 3.37Å; Y255-V270 HydrophobicContact CD1-CG2 4.3Å; Y255-V270 HydrophobicContact CE1-CB 4.48Å; Y255-V270 HydrophobicContact CE1-CG2 3.89Å
256A85.6Confident85Confident20 Ų2056.1 Ų56.117%0.16533%0.327CS..  trans-115.4172.417400000111H66 G254 M265H66-A256 PolarHBondContact CE1-O 3.31Å; H66-A256 PolarHBondContact ND1-N 3.44Å; H66-A256 PolarHBondContact ND1-O 2.81Å; G254-A256 PolarHBondContact O-N 3.28Å; G254-A256 VanDerWaalsContact O-N 3.1Å; A256-M265 WeakPolarHBondContact O-CB 3.04Å; A256-M265 PolarHBondContact O-N 2.93Å
257E83.6Confident85Confident110 Ų11060.6 Ų60.651%0.51435%0.346SS..BIsolated β-bridgetrans-65.2132.5165.1-68.6177.1171.500110A263 M264E257-A263 WeakPolarHBondContact CA-O 3.26Å; E257-M264 HydrophobicContact CG-CG 4.06Å
258D80.8Confident84.7Confident3 Ų362 Ų622%0.01636%0.363CS..  trans-72.4136.8173.5169.844.3000110.8F62 T260 T261 G262 A263 M265 Y333F62-D258 HydrophobicContact CE2-CB 4.38Å; D258-T260 VanDerWaalsContact C-N 3.3Å; D258-T260 PolarHBondContact O-N 2.96Å; D258-T260 PolarHBondContact OD1-N 3.44Å; D258-T260 PolarHBondContact OD2-N 3.32Å; D258-T260 PolarHBondContact OD2-OG1 3.48Å; D258-T261 WeakPolarHBondContact CB-OG1 3.43Å; D258-T261 WeakPolarHBondContact OD2-CB 3.43Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.24Å; D258-T261 PolarHBondContact OD2-N 3.37Å; D258-T261 PolarHBondContact OD2-OG1 3.07Å; D258-G262 VanDerWaalsContact O-CA 3.25Å; D258-G262 WeakPolarHBondContact O-CA 3.29Å; D258-G262 PolarHBondContact O-N 3.47Å; D258-A263 PolarHBondContact N-O 2.98Å; D258-M265 HydrophobicContact CB-CE 3.18Å; D258-M265 HydrophobicContact CB-CG 3.89Å; D258-M265 HydrophobicContact CB-SD 4.26Å; D258-Y333 PolarHBondContact OD1-OH 2.95Å; D258-Y333 PolarHBondContact OD2-OH 3.06Å
259Y71.3Confident84.4Confident71 Ų7156.2 Ų56.228%0.27834%0.342SS..THydrogen-bonded Turntrans-75.4-18.8-174.473.1-86.3000113.4Q330 Y333Y259-Q330 WeakPolarHBondContact CD1-O 3.14Å; Y259-Y333 HydrophobicContact CD1-CE1 4.33Å; Y259-Y333 AromaticContact CE1-CD1 3.61Å; Y259-Y333 HydrophobicContact CE1-CD1 3.61Å; Y259-Y333 HydrophobicContact CE1-CD2 4.05Å; Y259-Y333 AromaticContact CE1-CE1 3.51Å; Y259-Y333 HydrophobicContact CE1-CE1 3.51Å; Y259-Y333 HydrophobicContact CE1-CE2 4.03Å; Y259-Y333 AromaticContact CE1-CG 3.91Å; Y259-Y333 HydrophobicContact CE1-CG 3.91Å; Y259-Y333 AromaticContact CE1-CZ 3.79Å; Y259-Y333 AromaticContact CZ-CD2 3.74Å; Y259-Y333 AromaticContact CZ-CG 3.8Å; Y259-Y333 VanDerWaalsContact OH-CB 3.3Å; Y259-Y333 WeakPolarHBondContact OH-CB 3.36Å; Y259-Y333 WeakPolarHBondContact OH-CD2 3.4Å; Y259-Y333 PolarHBondContact OH-N 3.09Å
260T70.4Confident84.3Confident74 Ų7451.5 Ų51.545%0.45432%0.317SS..THydrogen-bonded Turntrans-88.5-35.1177.468.90000113.1D258 Y333D258-T260 VanDerWaalsContact C-N 3.3Å; D258-T260 PolarHBondContact O-N 2.96Å; D258-T260 PolarHBondContact OD1-N 3.44Å; D258-T260 PolarHBondContact OD2-N 3.32Å; D258-T260 PolarHBondContact OD2-OG1 3.48Å; T260-Y333 HydrophobicContact CG2-CD2 3.99Å; T260-Y333 HydrophobicContact CG2-CE2 3.39Å
261T69.8Low84Confident58 Ų5853.1 Ų53.136%0.35632%0.324SS..THydrogen-bonded Turntrans-102.2-20.4-177.653.50000114.5D258 A263 M265 N415D258-T261 WeakPolarHBondContact CB-OG1 3.43Å; D258-T261 WeakPolarHBondContact OD2-CB 3.43Å; D258-T261 WeakPolarHBondContact OD2-CG2 3.24Å; D258-T261 PolarHBondContact OD2-N 3.37Å; D258-T261 PolarHBondContact OD2-OG1 3.07Å; T261-A263 PolarHBondContact O-N 2.92Å; T261-A263 VanDerWaalsContact O-N 3.17Å; T261-A263 PolarHBondContact OG1-N 3.06Å; T261-M265 VanDerWaalsContact OG1-CE 3.28Å; T261-M265 WeakPolarHBondContact OG1-CE 3.37Å; T261-N415 WeakPolarHBondContact CG2-ND2 3.47Å
262G73.4Confident83.7Confident50 Ų5051.4 Ų51.452%0.51532%0.319SS..  trans63.69.9-168.300000113.5D258D258-G262 VanDerWaalsContact O-CA 3.25Å; D258-G262 WeakPolarHBondContact O-CA 3.29Å; D258-G262 PolarHBondContact O-N 3.47Å
263A79.4Confident83.3Confident46 Ų4651 Ų5138%0.3831%0.309SS..PPolyproline II helixtrans-91.3142.9-178.900000110.9E257 D258 T261 M265E257-A263 WeakPolarHBondContact CA-O 3.26Å; D258-A263 PolarHBondContact N-O 2.98Å; T261-A263 PolarHBondContact O-N 2.92Å; T261-A263 VanDerWaalsContact O-N 3.17Å; T261-A263 PolarHBondContact OG1-N 3.06Å; A263-M265 HydrophobicContact CB-CE 4.13Å; A263-M265 PolarHBondContact O-N 3.41Å
264M84Confident83.1Confident119 Ų11948.4 Ų48.459%0.58629%0.287SS*.BIsolated β-bridgetrans-69.5120.6174.7-128.4-78.8163.700109.7Y255 E257Y255-M264 WeakPolarHBondContact O-CE 3.49Å; E257-M264 HydrophobicContact CG-CG 4.06Å
265M86.9Confident83Confident20 Ų2047.5 Ų47.510%0.09928%0.277CS..PPolyproline II helixtrans-79.9144-176.5-67.6-61.414800111.6F62 Y255 A256 D258 T261 A263 S269 V270F62-M265 HydrophobicContact CE2-CG 3.93Å; F62-M265 HydrophobicContact CE2-SD 4.21Å; F62-M265 HydrophobicContact CZ-CG 3.9Å; F62-M265 HydrophobicContact CZ-SD 3.72Å; Y255-M265 WeakPolarHBondContact CB-O 3.05Å; Y255-M265 HydrophobicContact CD1-CB 4.39Å; A256-M265 WeakPolarHBondContact O-CB 3.04Å; A256-M265 PolarHBondContact O-N 2.93Å; D258-M265 HydrophobicContact CB-CE 3.18Å; D258-M265 HydrophobicContact CB-CG 3.89Å; D258-M265 HydrophobicContact CB-SD 4.26Å; T261-M265 VanDerWaalsContact OG1-CE 3.28Å; T261-M265 WeakPolarHBondContact OG1-CE 3.37Å; A263-M265 HydrophobicContact CB-CE 4.13Å; A263-M265 PolarHBondContact O-N 3.41Å; M265-S269 PolarHBondContact SD-OG 2.85Å; M265-S269 VanDerWaalsContact SD-OG 3.38Å; M265-V270 HydrophobicContact CB-CG2 4.27Å
266T90.4Very high82.8Confident76 Ų7645.6 Ų45.647%0.46627%0.271SS..  trans-123.8168.8179.562.70000110.2A268 S269 V270T266-A268 VanDerWaalsContact C-N 3.25Å; T266-A268 PolarHBondContact O-N 2.95Å; T266-S269 PolarHBondContact N-OG 2.67Å; T266-S269 PolarHBondContact O-N 3.31Å; T266-S269 PolarHBondContact O-OG 2.92Å; T266-S269 VanDerWaalsContact O-OG 3.08Å; T266-S269 PolarHBondContact OG1-N 2.91Å; T266-S269 PolarHBondContact OG1-OG 3.36Å; T266-V270 WeakPolarHBondContact O-CG2 3.33Å; T266-V270 PolarHBondContact O-N 2.81Å; T266-V270 VanDerWaalsContact O-N 3.1Å
267F89.3Confident82.6Confident100 Ų10044.6 Ų44.644%0.43926%0.263SS..Hα-helixtrans-51.1-46.9172.2178.1-96000112.4Q71 M75 Y255 F271Q71-F267 HydrophobicContact CG-CD2 4.14Å; Q71-F267 HydrophobicContact CG-CE2 3.98Å; M75-F267 HydrophobicContact CE-CD2 3.11Å; M75-F267 HydrophobicContact CE-CE2 3.3Å; M75-F267 HydrophobicContact CE-CG 3.93Å; M75-F267 HydrophobicContact CE-CZ 4.22Å; M75-F267 HydrophobicContact CG-CD2 4.41Å; M75-F267 HydrophobicContact CG-CE2 3.58Å; M75-F267 HydrophobicContact CG-CZ 3.92Å; M75-F267 HydrophobicContact SD-CE2 4.27Å; Y255-F267 WeakPolarHBondContact OH-CA 3.37Å; F267-F271 VanDerWaalsContact O-CB 3.27Å; F267-F271 WeakPolarHBondContact O-CB 3.38Å; F267-F271 PolarHBondContact O-N 2.75Å
268A86.9Confident82.7Confident64 Ų6439.4 Ų39.453%0.52924%0.239SC..Hα-helixtrans-67.9-39.5-17700000112.6T266 F271 A272T266-A268 VanDerWaalsContact C-N 3.25Å; T266-A268 PolarHBondContact O-N 2.95Å; A268-F271 PolarHBondContact O-N 3.26Å; A268-A272 WeakPolarHBondContact O-CB 3.45Å; A268-A272 PolarHBondContact O-N 2.9Å
269S84.7Confident83Confident37 Ų3739.7 Ų39.726%0.25924%0.241SC..Hα-helixtrans-68-41.917966.20000111.7M265 T266 A272 V273M265-S269 PolarHBondContact SD-OG 2.85Å; M265-S269 VanDerWaalsContact SD-OG 3.38Å; T266-S269 PolarHBondContact N-OG 2.67Å; T266-S269 PolarHBondContact O-N 3.31Å; T266-S269 PolarHBondContact O-OG 2.92Å; T266-S269 VanDerWaalsContact O-OG 3.08Å; T266-S269 PolarHBondContact OG1-N 2.91Å; T266-S269 PolarHBondContact OG1-OG 3.36Å; S269-A272 PolarHBondContact O-N 2.96Å; S269-V273 WeakPolarHBondContact O-CG2 3.4Å; S269-V273 PolarHBondContact O-N 3.47Å
270V88.3Confident83.7Confident0 Ų036.5 Ų36.50%023%0.23CC..Hα-helixtrans-67-41.7176.4179.10000111.1F62 V63 H66 A67 M75 Y255 M265 T266 A272 V273 L274F62-V270 HydrophobicContact CE1-CB 4.4Å; F62-V270 HydrophobicContact CE1-CG1 4.35Å; F62-V270 HydrophobicContact CE1-CG2 3.96Å; F62-V270 HydrophobicContact CZ-CG2 4.02Å; V63-V270 HydrophobicContact CB-CG1 4.21Å; V63-V270 HydrophobicContact CG1-CG1 4.09Å; V63-V270 HydrophobicContact CG2-CG1 4.04Å; H66-V270 HydrophobicContact CB-CG2 3.99Å; A67-V270 HydrophobicContact CB-CG1 4.32Å; M75-V270 HydrophobicContact CE-CB 4.23Å; M75-V270 HydrophobicContact CE-CG1 4.22Å; M75-V270 HydrophobicContact SD-CG1 4.11Å; Y255-V270 HydrophobicContact CD1-CG2 4.3Å; Y255-V270 HydrophobicContact CE1-CB 4.48Å; Y255-V270 HydrophobicContact CE1-CG2 3.89Å; M265-V270 HydrophobicContact CB-CG2 4.27Å; T266-V270 WeakPolarHBondContact O-CG2 3.33Å; T266-V270 PolarHBondContact O-N 2.81Å; T266-V270 VanDerWaalsContact O-N 3.1Å; V270-A272 PolarHBondContact O-N 3.41Å; V270-V273 PolarHBondContact O-N 3.34Å; V270-L274 PolarHBondContact O-N 3.49Å
271F87.8Confident84.6Confident34 Ų3433.2 Ų33.215%0.14921%0.209CC..Hα-helixtrans-61.2-43175.1178.3-99.8000112M75 V78 A79 F267 A268 V273 L274 F275M75-F271 HydrophobicContact CB-CD2 4.06Å; M75-F271 HydrophobicContact CG-CD2 4.17Å; M75-F271 HydrophobicContact SD-CB 4.45Å; V78-F271 HydrophobicContact CG1-CE2 4.33Å; V78-F271 HydrophobicContact CG1-CZ 4.45Å; A79-F271 HydrophobicContact CB-CE2 4.15Å; F267-F271 VanDerWaalsContact O-CB 3.27Å; F267-F271 WeakPolarHBondContact O-CB 3.38Å; F267-F271 PolarHBondContact O-N 2.75Å; A268-F271 PolarHBondContact O-N 3.26Å; F271-V273 VanDerWaalsContact C-N 3.33Å; F271-V273 PolarHBondContact O-N 3.45Å; F271-L274 PolarHBondContact O-N 2.97Å; F271-F275 HydrophobicContact CE1-CB 4.17Å; F271-F275 HydrophobicContact CE1-CD2 4.37Å; F271-F275 HydrophobicContact CE1-CG 4.4Å; F271-F275 HydrophobicContact CZ-CB 4.26Å; F271-F275 AromaticContact CZ-CD2 3.96Å; F271-F275 HydrophobicContact CZ-CD2 3.96Å; F271-F275 HydrophobicContact CZ-CG 4.39Å; F271-F275 VanDerWaalsContact O-CB 3.25Å; F271-F275 WeakPolarHBondContact O-CB 3.35Å; F271-F275 PolarHBondContact O-N 3.48Å
272A83.9Confident85.2Confident24 Ų2431 Ų3120%0.19820%0.195CC..Hα-helixtrans-60.9-42.1178.600000112A268 S269 V270 N276 T422A268-A272 WeakPolarHBondContact O-CB 3.45Å; A268-A272 PolarHBondContact O-N 2.9Å; S269-A272 PolarHBondContact O-N 2.96Å; V270-A272 PolarHBondContact O-N 3.41Å; A272-N276 WeakPolarHBondContact O-CB 3.47Å; A272-N276 PolarHBondContact O-N 2.98Å; A272-T422 HydrophobicContact CB-CG2 4.45Å; A272-T422 PolarHBondContact O-OG1 2.94Å
273V83.8Confident85.8Confident29 Ų2928.9 Ų28.918%0.17617%0.173CC..Hα-helixtrans-65.1-43.5176.51740000111.5R59 F62 S269 V270 F271 G277R59-V273 HydrophobicContact CB-CG1 4.04Å; R59-V273 HydrophobicContact CG-CG1 3.79Å; F62-V273 HydrophobicContact CD1-CG1 4.22Å; F62-V273 HydrophobicContact CE1-CB 4.25Å; F62-V273 HydrophobicContact CE1-CG1 4.28Å; F62-V273 HydrophobicContact CE1-CG2 4.24Å; S269-V273 WeakPolarHBondContact O-CG2 3.4Å; S269-V273 PolarHBondContact O-N 3.47Å; V270-V273 PolarHBondContact O-N 3.34Å; F271-V273 VanDerWaalsContact C-N 3.33Å; F271-V273 PolarHBondContact O-N 3.45Å; V273-G277 PolarHBondContact O-N 3.17Å
274L87.6Confident85.9Confident2 Ų226.7 Ų26.71%0.0116%0.155CC..Hα-helixtrans-62.7-50.6175.9177.161.8000111.4V63 M75 L76 V270 F271 N276 G277 C278 F317V63-L274 HydrophobicContact CG1-CD2 4.27Å; V63-L274 HydrophobicContact CG2-CB 4.03Å; V63-L274 HydrophobicContact CG2-CD1 4.37Å; M75-L274 HydrophobicContact CB-CD2 3.75Å; L76-L274 HydrophobicContact CB-CD2 4.48Å; L76-L274 HydrophobicContact CD1-CD1 4.38Å; V270-L274 PolarHBondContact O-N 3.49Å; F271-L274 PolarHBondContact O-N 2.97Å; L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 3.26Å; L274-G277 WeakPolarHBondContact O-CA 3.49Å; L274-G277 PolarHBondContact O-N 3.2Å; L274-C278 PolarHBondContact O-N 3.38Å; L274-F317 HydrophobicContact CD1-CZ 3.76Å; L274-F317 HydrophobicContact CD2-CZ 4.48Å
275F86.3Confident85.9Confident0 Ų021.1 Ų21.10%013%0.127CC..Hα-helixtrans-60.3-43.7-176.7-174.8-91.8000111.1A79 I82 F271 G277 C278 T279 T422 L426 Y429A79-F275 HydrophobicContact CB-CD2 3.93Å; I82-F275 HydrophobicContact CB-CE2 4.47Å; I82-F275 HydrophobicContact CD1-CE2 4.45Å; I82-F275 HydrophobicContact CG2-CE2 4.2Å; I82-F275 HydrophobicContact CG2-CZ 4.41Å; F271-F275 HydrophobicContact CE1-CB 4.17Å; F271-F275 HydrophobicContact CE1-CD2 4.37Å; F271-F275 HydrophobicContact CE1-CG 4.4Å; F271-F275 HydrophobicContact CZ-CB 4.26Å; F271-F275 AromaticContact CZ-CD2 3.96Å; F271-F275 HydrophobicContact CZ-CD2 3.96Å; F271-F275 HydrophobicContact CZ-CG 4.39Å; F271-F275 VanDerWaalsContact O-CB 3.25Å; F271-F275 WeakPolarHBondContact O-CB 3.35Å; F271-F275 PolarHBondContact O-N 3.48Å; F275-G277 PolarHBondContact O-N 3.48Å; F275-C278 PolarHBondContact O-N 3.29Å; F275-T279 HydrophobicContact CD1-CG2 3.77Å; F275-T279 HydrophobicContact CE1-CG2 3.52Å; F275-T279 HydrophobicContact CZ-CG2 4.23Å; F275-T279 VanDerWaalsContact O-CG2 3.22Å; F275-T279 WeakPolarHBondContact O-CG2 3.48Å; F275-T279 PolarHBondContact O-N 3.03Å; F275-T279 VanDerWaalsContact O-N 3.11Å; F275-T422 HydrophobicContact CD1-CG2 3.73Å; F275-T422 HydrophobicContact CE1-CG2 4.45Å; F275-T422 HydrophobicContact CG-CG2 4.48Å; F275-L426 HydrophobicContact CD1-CD2 4.29Å; F275-L426 HydrophobicContact CD1-CG 4.21Å; F275-L426 HydrophobicContact CE1-CD1 4.4Å; F275-L426 HydrophobicContact CE1-CD2 3.53Å; F275-L426 HydrophobicContact CE1-CG 3.59Å; F275-L426 HydrophobicContact CE2-CD2 3.82Å; F275-L426 HydrophobicContact CZ-CD2 3.26Å; F275-L426 HydrophobicContact CZ-CG 3.9Å; F275-Y429 HydrophobicContact CZ-CD2 4.12Å; F275-Y429 HydrophobicContact CZ-CE2 4.15Å
276N83.6Confident85.7Confident20 Ų2020.6 Ų20.611%0.10713%0.125CC..Hα-helixtrans-54.3-39.1174.4-173.144.4000112A272 L274 T279 V421A272-N276 WeakPolarHBondContact O-CB 3.47Å; A272-N276 PolarHBondContact O-N 2.98Å; L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 3.26Å; N276-T279 PolarHBondContact O-N 3.06Å; N276-T279 PolarHBondContact O-OG1 3.17Å; N276-V421 WeakPolarHBondContact OD1-CG1 3.3Å
277G82.2Confident85.1Confident0 Ų017.3 Ų17.30%010%0.104CC..Hα-helixtrans-67.2-34176.200000114.5M51 V55 V273 L274 F275M51-G277 CarbonylContact C-O 3.48Å; V55-G277 VanDerWaalsContact CG2-CA 3.44Å; V273-G277 PolarHBondContact O-N 3.17Å; L274-G277 WeakPolarHBondContact O-CA 3.49Å; L274-G277 PolarHBondContact O-N 3.2Å; F275-G277 PolarHBondContact O-N 3.48Å
278C86.9Confident84.7Confident0 Ų012.6 Ų12.60%08%0.084CC..Hα-helixtrans-85.1-7.5179.9-56.90000113.7M51 Y80 L83 L274 F275M51-C278 WeakPolarHBondContact CE-O 3.28Å; Y80-C278 HydrophobicContact CE2-CB 4.26Å; L83-C278 HydrophobicContact CD1-CB 3.7Å; L83-C278 VanDerWaalsContact CD1-O 3.23Å; L83-C278 WeakPolarHBondContact CD1-O 3.29Å; L274-C278 PolarHBondContact O-N 3.38Å; F275-C278 PolarHBondContact O-N 3.29Å
279T86.3Confident84.2Confident9 Ų911.3 Ų11.36%0.0558%0.076CC..  trans-68.9177176.166.60000112.2M51 F275 N276 Y425 Y429M51-T279 WeakPolarHBondContact CA-O 3.37Å; F275-T279 HydrophobicContact CD1-CG2 3.77Å; F275-T279 HydrophobicContact CE1-CG2 3.52Å; F275-T279 HydrophobicContact CZ-CG2 4.23Å; F275-T279 VanDerWaalsContact O-CG2 3.22Å; F275-T279 WeakPolarHBondContact O-CG2 3.48Å; F275-T279 PolarHBondContact O-N 3.03Å; F275-T279 VanDerWaalsContact O-N 3.11Å; N276-T279 PolarHBondContact O-N 3.06Å; N276-T279 PolarHBondContact O-OG1 3.17Å; T279-Y425 HydrophobicContact CG2-CD2 4.06Å; T279-Y425 HydrophobicContact CG2-CG 4.15Å; T279-Y429 HydrophobicContact CG2-CE2 4.3Å
280G85.3Confident84Confident4 Ų412.9 Ų12.94%0.0418%0.08CC..  trans100.313.1177.200000115.2S50 M282 A283 Y429S50-G280 WeakPolarHBondContact OG-CA 3.39Å; G280-M282 PolarHBondContact O-N 2.9Å; G280-A283 VanDerWaalsContact O-CB 3.3Å; G280-A283 WeakPolarHBondContact O-CB 3.2Å; G280-A283 PolarHBondContact O-N 2.96Å; G280-Y429 PolarHBondContact N-OH 3.37Å
281I89.3Confident83.8Confident5 Ų513 Ų133%0.0268%0.08CC..THydrogen-bonded Turntrans-56.9-23.1177.458.7168.6000113.7M51 L83 T86 V87 V306 Y429M51-I281 HydrophobicContact CE-CG2 4.23Å; M51-I281 HydrophobicContact SD-CG2 4.03Å; L83-I281 HydrophobicContact CD2-CD1 4.38Å; L83-I281 HydrophobicContact CD2-CG2 4.09Å; T86-I281 HydrophobicContact CG2-CD1 3.85Å; V87-I281 HydrophobicContact CG2-CB 4.17Å; V87-I281 HydrophobicContact CG2-CD1 3.85Å; V87-I281 HydrophobicContact CG2-CG2 4.1Å; I281-V306 HydrophobicContact CG2-CG2 4.01Å; I281-Y429 HydrophobicContact CD1-CE1 4.07Å; I281-Y429 HydrophobicContact CG1-CE1 4.04Å
282M84Confident83.5Confident12 Ų1218 Ų186%0.05910%0.102CC..THydrogen-bonded Turntrans-86.8-4.5-179.6-66.4-167.5-176.400114.3V90 A104 F124 G280 G284 A285 N286 Y429 V432V90-M282 HydrophobicContact CG2-CE 3.95Å; A104-M282 HydrophobicContact CB-SD 4.37Å; F124-M282 HydrophobicContact CD1-SD 3.88Å; F124-M282 HydrophobicContact CD2-CE 4.46Å; F124-M282 HydrophobicContact CD2-SD 4.07Å; F124-M282 HydrophobicContact CE1-CE 3.6Å; F124-M282 HydrophobicContact CE1-SD 3.51Å; F124-M282 VanDerWaalsContact CE1-SD 3.51Å; F124-M282 HydrophobicContact CE2-CE 3.51Å; F124-M282 HydrophobicContact CE2-SD 3.69Å; F124-M282 HydrophobicContact CG-SD 4.18Å; F124-M282 HydrophobicContact CZ-CE 3.03Å; F124-M282 HydrophobicContact CZ-SD 3.44Å; F124-M282 WeakPolarHBondContact CZ-SD 3.04Å; G280-M282 PolarHBondContact O-N 2.9Å; M282-G284 VanDerWaalsContact C-N 3.26Å; M282-G284 PolarHBondContact O-N 3.41Å; M282-A285 PolarHBondContact O-N 3.48Å; M282-N286 VanDerWaalsContact O-CG 3.27Å; M282-N286 PolarHBondContact O-N 3.43Å; M282-N286 PolarHBondContact O-ND2 3.39Å; M282-Y429 HydrophobicContact CE-CD1 4.15Å; M282-Y429 HydrophobicContact CE-CE1 4.07Å; M282-V432 HydrophobicContact CE-CG2 4.3Å
283A84.5Confident83.6Confident6 Ų621.6 Ų21.65%0.0512%0.118CC..THydrogen-bonded Turntrans-55.7-41.7178.400000112.2P46 G280 N286 S360P46-A283 HydrophobicContact CB-CB 4.39Å; G280-A283 VanDerWaalsContact O-CB 3.3Å; G280-A283 WeakPolarHBondContact O-CB 3.2Å; G280-A283 PolarHBondContact O-N 2.96Å; A283-N286 PolarHBondContact O-N 2.93Å; A283-S360 VanDerWaalsContact CB-OG 3.25Å; A283-S360 WeakPolarHBondContact CB-OG 3.24Å
284G81Confident83.6Confident0 Ų021.1 Ų21.10%012%0.115CC..THydrogen-bonded Turntrans-69.6-33.817500000114.1T47 M282 N286 M287T47-G284 WeakPolarHBondContact OG1-CA 3.47Å; T47-G284 PolarHBondContact OG1-N 3.27Å; M282-G284 VanDerWaalsContact C-N 3.26Å; M282-G284 PolarHBondContact O-N 3.41Å; G284-N286 VanDerWaalsContact C-N 3.33Å; G284-M287 PolarHBondContact O-N 3.35Å
285A84.1Confident83.6Confident1 Ų123.1 Ų23.11%0.00813%0.13CC..G310 helixtrans-71.9-27.1177.600000112.5G103 A104 M282 M287 S288 I298G103-A285 CarbonylContact C-O 3.52Å; G103-A285 WeakPolarHBondContact CA-O 3.4Å; A104-A285 HydrophobicContact CB-CB 3.79Å; A104-A285 PolarHBondContact N-O 3.1Å; M282-A285 PolarHBondContact O-N 3.48Å; A285-M287 PolarHBondContact O-N 2.91Å; A285-M287 VanDerWaalsContact O-N 3.17Å; A285-S288 VanDerWaalsContact O-CB 3.3Å; A285-S288 WeakPolarHBondContact O-CB 3.4Å; A285-S288 PolarHBondContact O-N 3.4Å; A285-S288 VanDerWaalsContact O-N 3.14Å; A285-S288 PolarHBondContact O-OG 2.89Å; A285-I298 HydrophobicContact CB-CG2 4.24Å
286N83.4Confident83.6Confident9 Ų932.2 Ų32.25%0.04816%0.164CC..G310 helixtrans-64.5-17.1176.1-69.7-25000113.5A104 M282 A283 G284 G364A104-N286 WeakPolarHBondContact CB-OD1 3.38Å; M282-N286 VanDerWaalsContact O-CG 3.27Å; M282-N286 PolarHBondContact O-N 3.43Å; M282-N286 PolarHBondContact O-ND2 3.39Å; A283-N286 PolarHBondContact O-N 2.93Å; G284-N286 VanDerWaalsContact C-N 3.33Å; N286-G364 WeakPolarHBondContact ND2-CA 3.36Å
287M77.9Confident83.9Confident7 Ų731.3 Ų31.33%0.03416%0.16CC..G310 helixtrans-100.514.6177.5-52.3-172.188.700113.3L37 P46 A186 Y189 A190 G284 A285 G289 E290L37-M287 HydrophobicContact CD1-CE 3.91Å; P46-M287 HydrophobicContact CB-SD 4.25Å; P46-M287 HydrophobicContact CG-SD 3.63Å; A186-M287 HydrophobicContact CB-CE 4.47Å; Y189-M287 HydrophobicContact CD1-CE 3.36Å; Y189-M287 HydrophobicContact CD1-SD 4.12Å; Y189-M287 HydrophobicContact CE1-CE 3.53Å; Y189-M287 HydrophobicContact CE1-SD 3.62Å; A190-M287 HydrophobicContact CB-CE 4.3Å; G284-M287 PolarHBondContact O-N 3.35Å; A285-M287 PolarHBondContact O-N 2.91Å; A285-M287 VanDerWaalsContact O-N 3.17Å; M287-G289 PolarHBondContact O-N 2.89Å; M287-E290 PolarHBondContact O-N 3.37Å
288S80.5Confident84.3Confident2 Ų231.3 Ų31.31%0.01416%0.16CC..G310 helixtrans-52.8-33.1-173.3620000114.6G103 A285 E290G103-S288 WeakPolarHBondContact CA-OG 3.46Å; G103-S288 PolarHBondContact N-OG 3.19Å; G103-S288 VanDerWaalsContact N-OG 3.1Å; G103-S288 PolarHBondContact O-OG 3.41Å; A285-S288 VanDerWaalsContact O-CB 3.3Å; A285-S288 WeakPolarHBondContact O-CB 3.4Å; A285-S288 PolarHBondContact O-N 3.4Å; A285-S288 VanDerWaalsContact O-N 3.14Å; A285-S288 PolarHBondContact O-OG 2.89Å; S288-E290 VanDerWaalsContact C-N 3.33Å; S288-E290 PolarHBondContact O-N 3.45Å
289G77.6Confident84.5Confident36 Ų3632.2 Ų32.237%0.37117%0.165SC..G310 helixtrans-73.9-18.717900000116.6M287M287-G289 PolarHBondContact O-N 2.89Å
290E80.3Confident84.7Confident70 Ų7035.7 Ų35.733%0.32718%0.183SC..G310 helixtrans-97.5-8.1-178.6-57.9-64156.400111.5K36 L37 A186 M287 S288K36-E290 CarbonylContact C-O 3.12Å; K36-E290 WeakPolarHBondContact CA-O 3.37Å; L37-E290 HydrophobicContact CD1-CB 3.74Å; L37-E290 HydrophobicContact CG-CB 4.23Å; L37-E290 PolarHBondContact N-O 3.06Å; A186-E290 HydrophobicContact CB-CG 3.94Å; M287-E290 PolarHBondContact O-N 3.37Å; S288-E290 VanDerWaalsContact C-N 3.33Å; S288-E290 PolarHBondContact O-N 3.45Å
291L82.8Confident85.1Confident3 Ų335.5 Ų35.52%0.01618%0.181CC..BIsolated β-bridgetrans-77.4149.7-178.2-67.4172000112L37 V43 P294 A297 I298L37-L291 HydrophobicContact CB-CD2 4.22Å; V43-L291 HydrophobicContact CG2-CD1 3.51Å; V43-L291 HydrophobicContact CG2-CD2 3.79Å; V43-L291 HydrophobicContact CG2-CG 4.31Å; L291-P294 HydrophobicContact CB-CB 4.32Å; L291-P294 HydrophobicContact CD1-CB 4.27Å; L291-A297 HydrophobicContact CD1-CB 4.09Å; L291-A297 HydrophobicContact CD2-CB 4.48Å; L291-I298 HydrophobicContact CD1-CD1 4.27Å; L291-I298 HydrophobicContact CD1-CG1 3.8Å
292K82.5Confident85.2Confident140 Ų14035.5 Ų35.561%0.60918%0.181SC*.SBendtrans-60.5-53.3172.1-170.2-179.1174.6-175.50111.6K36 L37K36-K292 HydrophobicContact CB-CB 4.13Å; L37-K292 PolarHBondContact O-N 2.96Å
293D84.9Confident85.7Confident98 Ų9838.9 Ų38.952%0.52420%0.199SC..SBendtrans-13782.7-175.7-61.6-51.1000110.3S295 R296 A297D293-S295 PolarHBondContact O-N 3.45Å; D293-R296 PolarHBondContact O-N 3.2Å; D293-A297 WeakPolarHBondContact O-CB 3.38Å; D293-A297 PolarHBondContact O-N 2.88Å
294P85.2Confident86.2Confident19 Ų1942.8 Ų42.812%0.12322%0.218CC..Hα-helixtrans-61.3-40.9-171.221.4-32.5000114V99 L291 R296 A297 I298V99-P294 HydrophobicContact CB-CB 4.04Å; V99-P294 HydrophobicContact CB-CG 3.87Å; V99-P294 HydrophobicContact CG1-CB 3.69Å; V99-P294 HydrophobicContact CG1-CG 3.94Å; L291-P294 HydrophobicContact CB-CB 4.32Å; L291-P294 HydrophobicContact CD1-CB 4.27Å; P294-R296 PolarHBondContact O-N 2.8Å; P294-R296 VanDerWaalsContact O-N 3.16Å; P294-A297 PolarHBondContact O-N 3.34Å; P294-I298 HydrophobicContact CB-CD1 4.07Å; P294-I298 WeakPolarHBondContact O-CB 3.34Å; P294-I298 WeakPolarHBondContact O-CG1 3.29Å; P294-I298 PolarHBondContact O-N 3.32Å
295S86.1Confident86.7Confident44 Ų4442.8 Ų42.831%0.30822%0.218SC..Hα-helixtrans-61.9-24.9-177.6-54.20000113.9A94 D293 P299A94-S295 WeakPolarHBondContact O-CA 3.36Å; A94-S295 WeakPolarHBondContact O-CB 3.26Å; A94-S295 PolarHBondContact O-OG 3.42Å; D293-S295 PolarHBondContact O-N 3.45Å; S295-P299 VanDerWaalsContact O-CD 3.3Å; S295-P299 WeakPolarHBondContact O-CD 2.79Å; S295-P299 WeakPolarHBondContact O-CG 3.44Å
296R87.3Confident87.2Confident191 Ų19143.4 Ų43.472%0.72122%0.222SC*.Hα-helixtrans-100.9-37.3174.7-171.6179.1179.8-165.11.2112.5D293 P294 L300D293-R296 PolarHBondContact O-N 3.2Å; P294-R296 PolarHBondContact O-N 2.8Å; P294-R296 VanDerWaalsContact O-N 3.16Å; R296-L300 WeakPolarHBondContact O-CB 3.32Å; R296-L300 PolarHBondContact O-N 2.93Å
297A89.6Confident87.7Confident2 Ų245.8 Ų45.82%0.01724%0.243CC..Hα-helixtrans-68.2-39.2-176.500000112.5T39 V43 L291 D293 P294 G301T39-A297 HydrophobicContact CG2-CB 3.88Å; T39-A297 VanDerWaalsContact CG2-O 3.3Å; T39-A297 WeakPolarHBondContact CG2-O 3.45Å; T39-A297 WeakPolarHBondContact OG1-CB 3.18Å; V43-A297 HydrophobicContact CG2-CB 4.2Å; L291-A297 HydrophobicContact CD1-CB 4.09Å; L291-A297 HydrophobicContact CD2-CB 4.48Å; D293-A297 WeakPolarHBondContact O-CB 3.38Å; D293-A297 PolarHBondContact O-N 2.88Å; P294-A297 PolarHBondContact O-N 3.34Å; A297-G301 WeakPolarHBondContact O-CA 3.43Å; A297-G301 PolarHBondContact O-N 2.85Å
298I90.8Very high88.4Confident0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-65.2-55.8-177.9-65.2166.7000110.4V43 A94 M107 A285 L291 P294 L300 G301 T302V43-I298 HydrophobicContact CG2-CG1 4.33Å; A94-I298 HydrophobicContact CB-CB 4.38Å; A94-I298 HydrophobicContact CB-CG2 4.23Å; M107-I298 HydrophobicContact CE-CD1 3.32Å; A285-I298 HydrophobicContact CB-CG2 4.24Å; L291-I298 HydrophobicContact CD1-CD1 4.27Å; L291-I298 HydrophobicContact CD1-CG1 3.8Å; P294-I298 HydrophobicContact CB-CD1 4.07Å; P294-I298 WeakPolarHBondContact O-CB 3.34Å; P294-I298 WeakPolarHBondContact O-CG1 3.29Å; P294-I298 PolarHBondContact O-N 3.32Å; I298-L300 PolarHBondContact O-N 3.49Å; I298-G301 PolarHBondContact O-N 3.19Å; I298-T302 HydrophobicContact CG2-CG2 4.3Å; I298-T302 WeakPolarHBondContact O-CB 3.4Å; I298-T302 WeakPolarHBondContact O-CG2 3.33Å; I298-T302 PolarHBondContact O-N 3.17Å; I298-T302 PolarHBondContact O-OG1 3.27Å
299P91Very high89.1Confident18 Ų1849.6 Ų49.612%0.11726%0.257CS..Hα-helixtrans-59.1-47.6-179.3-2635.2000113.8C91 A94 T95 S295 G301 T302 I303C91-P299 HydrophobicContact CB-CB 3.96Å; C91-P299 HydrophobicContact CB-CG 4.18Å; C91-P299 WeakPolarHBondContact SG-CA 3.35Å; C91-P299 VanDerWaalsContact SG-CB 3.56Å; A94-P299 HydrophobicContact CB-CG 4.24Å; T95-P299 HydrophobicContact CG2-CG 4.16Å; S295-P299 VanDerWaalsContact O-CD 3.3Å; S295-P299 WeakPolarHBondContact O-CD 2.79Å; S295-P299 WeakPolarHBondContact O-CG 3.44Å; P299-G301 PolarHBondContact O-N 3.46Å; P299-T302 PolarHBondContact O-OG1 3.46Å; P299-I303 WeakPolarHBondContact O-CB 3.38Å; P299-I303 WeakPolarHBondContact O-CD1 3.26Å; P299-I303 VanDerWaalsContact O-CG1 3.26Å; P299-I303 WeakPolarHBondContact O-CG1 3.14Å; P299-I303 PolarHBondContact O-N 2.99Å
300L91.6Very high89.9Confident83 Ų8350.8 Ų50.844%0.43525%0.252SS..Hα-helixtrans-67.6-40.2-177.2-172.9146.5000111.1T39 R296 I298 I304T39-L300 HydrophobicContact CG2-CD2 4.07Å; R296-L300 WeakPolarHBondContact O-CB 3.32Å; R296-L300 PolarHBondContact O-N 2.93Å; I298-L300 PolarHBondContact O-N 3.49Å; L300-I304 HydrophobicContact CD2-CD1 3.46Å; L300-I304 VanDerWaalsContact CD2-CD1 3.46Å; L300-I304 HydrophobicContact CG-CD1 4.05Å; L300-I304 WeakPolarHBondContact O-CB 3.41Å; L300-I304 WeakPolarHBondContact O-CD1 3.42Å; L300-I304 WeakPolarHBondContact O-CG1 3.41Å; L300-I304 PolarHBondContact O-N 2.89Å
301G92.3Very high90.5Very high0 Ų053.7 Ų53.70%026%0.264CS..Hα-helixtrans-70.5-41.7-178.800000113.3A297 I298 P299 A305A297-G301 WeakPolarHBondContact O-CA 3.43Å; A297-G301 PolarHBondContact O-N 2.85Å; I298-G301 PolarHBondContact O-N 3.19Å; P299-G301 PolarHBondContact O-N 3.46Å; G301-A305 WeakPolarHBondContact O-CB 3.37Å; G301-A305 PolarHBondContact O-N 2.91Å
302T92.8Very high91.1Very high4 Ų454.2 Ų54.23%0.02527%0.266CS..Hα-helixtrans-69.3-44-18054.10000111.6V43 I298 P299 I304 A305 V306V43-T302 HydrophobicContact CG1-CG2 3.98Å; I298-T302 HydrophobicContact CG2-CG2 4.3Å; I298-T302 WeakPolarHBondContact O-CB 3.4Å; I298-T302 WeakPolarHBondContact O-CG2 3.33Å; I298-T302 PolarHBondContact O-N 3.17Å; I298-T302 PolarHBondContact O-OG1 3.27Å; P299-T302 PolarHBondContact O-OG1 3.46Å; T302-I304 PolarHBondContact O-N 3.3Å; T302-A305 PolarHBondContact O-N 3.39Å; T302-V306 WeakPolarHBondContact O-CB 3.47Å; T302-V306 VanDerWaalsContact O-CG2 3.23Å; T302-V306 WeakPolarHBondContact O-CG2 3.44Å; T302-V306 PolarHBondContact O-N 3.38Å
303I93.7Very high91.6Very high84 Ų8447.5 Ų47.543%0.43124%0.237SC..Hα-helixtrans-60.7-45.4177.8-67.9169.9000110.9V87 P299 A305 V306 A307V87-I303 HydrophobicContact CG1-CG1 3.89Å; P299-I303 WeakPolarHBondContact O-CB 3.38Å; P299-I303 WeakPolarHBondContact O-CD1 3.26Å; P299-I303 VanDerWaalsContact O-CG1 3.26Å; P299-I303 WeakPolarHBondContact O-CG1 3.14Å; P299-I303 PolarHBondContact O-N 2.99Å; I303-A305 PolarHBondContact O-N 3.1Å; I303-V306 PolarHBondContact O-N 2.9Å; I303-A307 WeakPolarHBondContact O-CB 3.48Å; I303-A307 PolarHBondContact O-N 3.46Å
304I94Very high92.1Very high87 Ų8745.7 Ų45.745%0.44623%0.227SC..Hα-helixtrans-62.4-43.9177.3-68.9171.8000110.8L300 T302 Y308L300-I304 HydrophobicContact CD2-CD1 3.46Å; L300-I304 VanDerWaalsContact CD2-CD1 3.46Å; L300-I304 HydrophobicContact CG-CD1 4.05Å; L300-I304 WeakPolarHBondContact O-CB 3.41Å; L300-I304 WeakPolarHBondContact O-CD1 3.42Å; L300-I304 WeakPolarHBondContact O-CG1 3.41Å; L300-I304 PolarHBondContact O-N 2.89Å; T302-I304 PolarHBondContact O-N 3.3Å; I304-Y308 VanDerWaalsContact O-CB 3.25Å; I304-Y308 WeakPolarHBondContact O-CB 3.47Å; I304-Y308 PolarHBondContact O-N 3.11Å
305A93.3Very high92.6Very high0 Ų047.2 Ų47.20%023%0.234CC..Hα-helixtrans-62.7-44.1179.100000112.3T47 V48 G301 T302 I303 Y308 T309T47-A305 HydrophobicContact CG2-CB 3.65Å; V48-A305 HydrophobicContact CG2-CB 3.59Å; G301-A305 WeakPolarHBondContact O-CB 3.37Å; G301-A305 PolarHBondContact O-N 2.91Å; T302-A305 PolarHBondContact O-N 3.39Å; I303-A305 PolarHBondContact O-N 3.1Å; A305-Y308 PolarHBondContact O-N 3.31Å; A305-T309 VanDerWaalsContact O-CG2 3.28Å; A305-T309 WeakPolarHBondContact O-CG2 3.28Å; A305-T309 PolarHBondContact O-N 2.87Å; A305-T309 PolarHBondContact O-OG1 3.29Å; A305-T309 VanDerWaalsContact O-OG1 3.05Å
306V93.3Very high93Very high15 Ų1545.1 Ų45.19%0.09122%0.219CC..Hα-helixtrans-66-46179.1172.20000110.7M51 Y80 V87 I281 T302 I303 Y308 T309 F310M51-V306 HydrophobicContact CE-CB 4.49Å; M51-V306 HydrophobicContact CE-CG2 4.01Å; M51-V306 HydrophobicContact SD-CG2 3.82Å; Y80-V306 HydrophobicContact CD1-CG1 3.83Å; Y80-V306 HydrophobicContact CE1-CG1 3.84Å; Y80-V306 WeakPolarHBondContact CE1-O 3.47Å; V87-V306 HydrophobicContact CG2-CG2 3.92Å; I281-V306 HydrophobicContact CG2-CG2 4.01Å; T302-V306 WeakPolarHBondContact O-CB 3.47Å; T302-V306 VanDerWaalsContact O-CG2 3.23Å; T302-V306 WeakPolarHBondContact O-CG2 3.44Å; T302-V306 PolarHBondContact O-N 3.38Å; I303-V306 PolarHBondContact O-N 2.9Å; V306-Y308 VanDerWaalsContact C-N 3.35Å; V306-Y308 PolarHBondContact O-N 3.47Å; V306-T309 PolarHBondContact O-N 3.26Å; V306-T309 PolarHBondContact O-OG1 2.94Å; V306-F310 VanDerWaalsContact O-CB 3.31Å; V306-F310 WeakPolarHBondContact O-CB 3.5Å; V306-F310 PolarHBondContact O-N 3.07Å
307A93.9Very high93.3Very high59 Ų5936.1 Ų36.149%0.48819%0.185SC..Hα-helixtrans-61.9-42.4176.700000112.2I303 F311I303-A307 WeakPolarHBondContact O-CB 3.48Å; I303-A307 PolarHBondContact O-N 3.46Å; A307-F311 PolarHBondContact O-N 2.96Å
308Y93.9Very high93.5Very high88 Ų8840.3 Ų40.335%0.34520%0.203SC..Hα-helixtrans-63.4-48.8177.6174.2-112.6000112.1V48 F52 I304 A305 V306 F310 F311 I312V48-Y308 HydrophobicContact CG1-CD1 3.93Å; V48-Y308 HydrophobicContact CG1-CE1 3.84Å; V48-Y308 HydrophobicContact CG2-CD1 3.9Å; F52-Y308 HydrophobicContact CE2-CD1 4.11Å; F52-Y308 AromaticContact CE2-CE1 3.45Å; F52-Y308 HydrophobicContact CE2-CE1 3.45Å; F52-Y308 VanDerWaalsContact CE2-CE1 3.45Å; F52-Y308 HydrophobicContact CZ-CD1 4.07Å; F52-Y308 AromaticContact CZ-CE1 3.72Å; F52-Y308 HydrophobicContact CZ-CE1 3.72Å; I304-Y308 VanDerWaalsContact O-CB 3.25Å; I304-Y308 WeakPolarHBondContact O-CB 3.47Å; I304-Y308 PolarHBondContact O-N 3.11Å; A305-Y308 PolarHBondContact O-N 3.31Å; V306-Y308 VanDerWaalsContact C-N 3.35Å; V306-Y308 PolarHBondContact O-N 3.47Å; Y308-F310 PolarHBondContact O-N 3.05Å; Y308-F311 PolarHBondContact O-N 2.72Å; Y308-I312 HydrophobicContact CD2-CG1 4.44Å; Y308-I312 HydrophobicContact CE2-CD1 4.31Å; Y308-I312 HydrophobicContact CE2-CG1 4.01Å; Y308-I312 WeakPolarHBondContact O-CG1 3.32Å; Y308-I312 PolarHBondContact O-N 3.32Å
309T93.8Very high93.7Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-64.3-40.2179.256.90000111.9V48 M51 F52 Y80 A305 V306 F311 I312 Y313V48-T309 HydrophobicContact CG1-CG2 4.25Å; V48-T309 HydrophobicContact CG2-CG2 4.45Å; M51-T309 HydrophobicContact CB-CG2 3.81Å; M51-T309 VanDerWaalsContact CE-OG1 3.23Å; M51-T309 WeakPolarHBondContact CE-OG1 3.33Å; M51-T309 HydrophobicContact SD-CG2 4.25Å; F52-T309 HydrophobicContact CD1-CG2 3.73Å; F52-T309 HydrophobicContact CE1-CG2 3.44Å; F52-T309 VanDerWaalsContact CE1-CG2 3.44Å; F52-T309 HydrophobicContact CE2-CG2 4.34Å; F52-T309 HydrophobicContact CG-CG2 4.28Å; F52-T309 HydrophobicContact CZ-CG2 3.75Å; Y80-T309 WeakPolarHBondContact OH-CB 3.13Å; Y80-T309 PolarHBondContact OH-OG1 3.08Å; A305-T309 VanDerWaalsContact O-CG2 3.28Å; A305-T309 WeakPolarHBondContact O-CG2 3.28Å; A305-T309 PolarHBondContact O-N 2.87Å; A305-T309 PolarHBondContact O-OG1 3.29Å; A305-T309 VanDerWaalsContact O-OG1 3.05Å; V306-T309 PolarHBondContact O-N 3.26Å; V306-T309 PolarHBondContact O-OG1 2.94Å; T309-F311 VanDerWaalsContact C-N 3.34Å; T309-F311 PolarHBondContact O-N 2.87Å; T309-I312 PolarHBondContact O-N 3.1Å; T309-Y313 WeakPolarHBondContact O-CD2 3.31Å; T309-Y313 PolarHBondContact O-N 2.96Å
310F94.1Very high93.8Very high61 Ų6140.3 Ų40.327%0.26820%0.202SC..Hα-helixtrans-55.4-48.6176.2-178.9-117.5000112.1L76 Y80 V306 Y308 I312 Y313 I314L76-F310 HydrophobicContact CD2-CD2 4.38Å; L76-F310 HydrophobicContact CD2-CE2 4.3Å; L76-F310 HydrophobicContact CG-CD2 4.46Å; L76-F310 HydrophobicContact CG-CE2 4.36Å; Y80-F310 HydrophobicContact CD1-CB 3.75Å; Y80-F310 AromaticContact CD1-CD2 3.64Å; Y80-F310 HydrophobicContact CD1-CD2 3.64Å; Y80-F310 HydrophobicContact CD1-CG 4.02Å; Y80-F310 AromaticContact CD2-CD2 3.66Å; Y80-F310 HydrophobicContact CD2-CD2 3.66Å; Y80-F310 HydrophobicContact CD2-CE2 4.28Å; Y80-F310 HydrophobicContact CE1-CB 3.46Å; Y80-F310 VanDerWaalsContact CE1-CB 3.46Å; Y80-F310 HydrophobicContact CE1-CD2 4.03Å; Y80-F310 HydrophobicContact CE1-CG 4.19Å; Y80-F310 HydrophobicContact CE2-CD2 4.03Å; Y80-F310 HydrophobicContact CG-CB 4.41Å; Y80-F310 AromaticContact CG-CD2 3.44Å; Y80-F310 HydrophobicContact CG-CD2 3.44Å; Y80-F310 VanDerWaalsContact CG-CD2 3.44Å; Y80-F310 HydrophobicContact CG-CE2 4.04Å; Y80-F310 HydrophobicContact CG-CG 4.27Å; Y80-F310 PolarHBondContact OH-N 3.38Å; V306-F310 VanDerWaalsContact O-CB 3.31Å; V306-F310 WeakPolarHBondContact O-CB 3.5Å; V306-F310 PolarHBondContact O-N 3.07Å; Y308-F310 PolarHBondContact O-N 3.05Å; F310-I312 PolarHBondContact O-N 2.72Å; F310-Y313 PolarHBondContact O-N 3.36Å; F310-I314 HydrophobicContact CD1-CD1 3.99Å; F310-I314 HydrophobicContact CD2-CD1 4.31Å; F310-I314 HydrophobicContact CE1-CD1 3.45Å; F310-I314 VanDerWaalsContact CE1-CD1 3.45Å; F310-I314 HydrophobicContact CE2-CD1 3.82Å; F310-I314 HydrophobicContact CE2-CG1 4.37Å; F310-I314 HydrophobicContact CG-CD1 4.41Å; F310-I314 HydrophobicContact CZ-CD1 3.38Å; F310-I314 HydrophobicContact CZ-CG1 4.38Å; F310-I314 PolarHBondContact O-N 3.34Å
311F94.5Very high93.8Very high132 Ų13236.3 Ų36.358%0.57918%0.181SC*.Hα-helixtrans-61.8-43.4179.5-179.3-97.9000112A307 Y308 T309 I314 L315A307-F311 PolarHBondContact O-N 2.96Å; Y308-F311 PolarHBondContact O-N 2.72Å; T309-F311 VanDerWaalsContact C-N 3.34Å; T309-F311 PolarHBondContact O-N 2.87Å; F311-I314 PolarHBondContact O-N 2.82Å; F311-L315 HydrophobicContact CE1-CD2 4.39Å; F311-L315 WeakPolarHBondContact O-CB 3.47Å; F311-L315 PolarHBondContact O-N 3.2Å
312I94.4Very high93.8Very high13 Ų1338.6 Ų38.67%0.06719%0.191CC..Hα-helixtrans-65.6-41.2178.7-65.8-61.6000111.6F52 Y308 T309 F310 L315 L316F52-I312 HydrophobicContact CE1-CB 4.04Å; F52-I312 HydrophobicContact CE1-CG2 3.96Å; F52-I312 HydrophobicContact CZ-CB 3.78Å; F52-I312 HydrophobicContact CZ-CG1 3.89Å; F52-I312 HydrophobicContact CZ-CG2 3.81Å; Y308-I312 HydrophobicContact CD2-CG1 4.44Å; Y308-I312 HydrophobicContact CE2-CD1 4.31Å; Y308-I312 HydrophobicContact CE2-CG1 4.01Å; Y308-I312 WeakPolarHBondContact O-CG1 3.32Å; Y308-I312 PolarHBondContact O-N 3.32Å; T309-I312 PolarHBondContact O-N 3.1Å; F310-I312 PolarHBondContact O-N 2.72Å; I312-L315 PolarHBondContact O-N 2.85Å; I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 HydrophobicContact CG2-CG 4.3Å; I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 VanDerWaalsContact O-CG 3.31Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.07Å
313Y94Very high93.7Very high0 Ų038.4 Ų38.40%019%0.19CC..Hα-helixtrans-62.8-44.7175.9-82.9-68.4000112.3M51 F52 V56 I60 L76 Y80 T309 F310 L315 L316 F317M51-Y313 PolarHBondContact O-OH 2.98Å; F52-Y313 HydrophobicContact CD1-CE2 4.27Å; F52-Y313 HydrophobicContact CE1-CE2 4.38Å; V56-Y313 HydrophobicContact CB-CE1 4.3Å; V56-Y313 HydrophobicContact CG2-CE1 4.08Å; I60-Y313 HydrophobicContact CD1-CD1 4.15Å; I60-Y313 HydrophobicContact CD1-CE1 4.3Å; I60-Y313 HydrophobicContact CG1-CE1 4.48Å; L76-Y313 HydrophobicContact CD1-CG 4.21Å; Y80-Y313 HydrophobicContact CE2-CD2 4.28Å; Y80-Y313 VanDerWaalsContact OH-CD2 3.28Å; Y80-Y313 WeakPolarHBondContact OH-CD2 3.42Å; T309-Y313 WeakPolarHBondContact O-CD2 3.31Å; T309-Y313 PolarHBondContact O-N 2.96Å; F310-Y313 PolarHBondContact O-N 3.36Å; Y313-L315 VanDerWaalsContact C-N 3.32Å; Y313-L315 PolarHBondContact O-N 3.19Å; Y313-L316 PolarHBondContact O-N 3.42Å; Y313-F317 HydrophobicContact CD1-CE1 4.35Å; Y313-F317 WeakPolarHBondContact O-CB 3.4Å; Y313-F317 WeakPolarHBondContact O-CD1 3.3Å; Y313-F317 WeakPolarHBondContact O-CG 3.47Å; Y313-F317 PolarHBondContact O-N 3.08Å
314I94.8Very high93.5Very high60 Ų6034.4 Ų34.431%0.30817%0.169SC..Hα-helixtrans-58.5-47.4175.4-72.5177.7000110.7L73 L76 F310 F311 L316 F317 F318L73-I314 HydrophobicContact CD2-CG1 4.19Å; L73-I314 HydrophobicContact CD2-CG2 4.45Å; L76-I314 HydrophobicContact CD2-CG1 3.66Å; F310-I314 HydrophobicContact CD1-CD1 3.99Å; F310-I314 HydrophobicContact CD2-CD1 4.31Å; F310-I314 HydrophobicContact CE1-CD1 3.45Å; F310-I314 VanDerWaalsContact CE1-CD1 3.45Å; F310-I314 HydrophobicContact CE2-CD1 3.82Å; F310-I314 HydrophobicContact CE2-CG1 4.37Å; F310-I314 HydrophobicContact CG-CD1 4.41Å; F310-I314 HydrophobicContact CZ-CD1 3.38Å; F310-I314 HydrophobicContact CZ-CG1 4.38Å; F310-I314 PolarHBondContact O-N 3.34Å; F311-I314 PolarHBondContact O-N 2.82Å; I314-L316 PolarHBondContact O-N 3.39Å; I314-F317 PolarHBondContact O-N 3.24Å; I314-F318 WeakPolarHBondContact O-CB 3.45Å; I314-F318 PolarHBondContact O-N 3.46Å
315L94.8Very high93.4Very high51 Ų5132.3 Ų32.327%0.26716%0.159SC..Hα-helixtrans-60.6-46.7-179.3-178.761.2000111.2L208 F311 I312 Y313 F318 L319L208-L315 HydrophobicContact CD1-CD2 3.92Å; L208-L315 HydrophobicContact CD2-CD2 3.64Å; L208-L315 HydrophobicContact CD2-CG 3.91Å; L208-L315 HydrophobicContact CG-CD2 4.43Å; F311-L315 HydrophobicContact CE1-CD2 4.39Å; F311-L315 WeakPolarHBondContact O-CB 3.47Å; F311-L315 PolarHBondContact O-N 3.2Å; I312-L315 PolarHBondContact O-N 2.85Å; Y313-L315 VanDerWaalsContact C-N 3.32Å; Y313-L315 PolarHBondContact O-N 3.19Å; L315-F318 PolarHBondContact O-N 3.49Å; L315-L319 HydrophobicContact CD1-CD1 3.92Å; L315-L319 HydrophobicContact CD1-CG 4.14Å; L315-L319 HydrophobicContact CG-CD1 3.93Å; L315-L319 HydrophobicContact CG-CG 4.49Å; L315-L319 WeakPolarHBondContact O-CB 3.43Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.46Å; L315-L319 PolarHBondContact O-N 2.82Å
316L94.4Very high93.1Very high0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-66.7-37.7179.1-70.1171.6000112.3V56 I60 L204 V207 L208 F211 I312 Y313 I314 S320 F336V56-L316 HydrophobicContact CG2-CD1 3.81Å; I60-L316 HydrophobicContact CD1-CB 3.61Å; I60-L316 HydrophobicContact CD1-CD1 3.42Å; I60-L316 VanDerWaalsContact CD1-CD1 3.42Å; I60-L316 HydrophobicContact CD1-CG 4.12Å; I60-L316 HydrophobicContact CG2-CB 4.41Å; L204-L316 HydrophobicContact CD2-CD1 4.25Å; V207-L316 HydrophobicContact CG1-CD2 4.24Å; L208-L316 HydrophobicContact CD2-CD2 3.68Å; L208-L316 HydrophobicContact CD2-CG 4.41Å; F211-L316 HydrophobicContact CE2-CD2 4.18Å; I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 HydrophobicContact CG2-CG 4.3Å; I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 VanDerWaalsContact O-CG 3.31Å; I312-L316 WeakPolarHBondContact O-CG 3.44Å; I312-L316 PolarHBondContact O-N 3.07Å; Y313-L316 PolarHBondContact O-N 3.42Å; I314-L316 PolarHBondContact O-N 3.39Å; L316-S320 WeakPolarHBondContact O-CB 3.24Å; L316-S320 PolarHBondContact O-N 3.13Å; L316-S320 PolarHBondContact O-OG 3.15Å; L316-F336 HydrophobicContact CD2-CE1 4.47Å; L316-F336 HydrophobicContact CD2-CZ 4.37Å
317F94.8Very high92.8Very high1 Ų134.9 Ų34.90%0.00417%0.169CC..Hα-helixtrans-63.5-45.7175.9-78.211.7000111.4I60 V63 V64 L69 A72 L73 L76 L274 Y313 I314 S321I60-F317 HydrophobicContact CB-CE1 4.37Å; I60-F317 HydrophobicContact CD1-CE1 4.5Å; I60-F317 HydrophobicContact CG1-CE1 4.09Å; I60-F317 HydrophobicContact CG2-CD1 3.81Å; I60-F317 HydrophobicContact CG2-CE1 3.99Å; V63-F317 HydrophobicContact CB-CZ 4.48Å; V63-F317 HydrophobicContact CG1-CE2 4.33Å; V63-F317 HydrophobicContact CG1-CZ 3.93Å; V64-F317 HydrophobicContact CG2-CB 4.22Å; V64-F317 HydrophobicContact CG2-CD1 3.86Å; V64-F317 HydrophobicContact CG2-CE1 4.35Å; V64-F317 HydrophobicContact CG2-CG 4Å; L69-F317 HydrophobicContact CD1-CB 4.26Å; A72-F317 HydrophobicContact CB-CD2 3.87Å; A72-F317 HydrophobicContact CB-CE2 3.82Å; L73-F317 HydrophobicContact CD2-CD2 4.35Å; L76-F317 HydrophobicContact CB-CE2 4.08Å; L76-F317 HydrophobicContact CD1-CE2 4.34Å; L76-F317 HydrophobicContact CD2-CD2 4.28Å; L76-F317 HydrophobicContact CD2-CE2 4.2Å; L76-F317 HydrophobicContact CG-CE2 4.45Å; L274-F317 HydrophobicContact CD1-CZ 3.76Å; L274-F317 HydrophobicContact CD2-CZ 4.48Å; Y313-F317 HydrophobicContact CD1-CE1 4.35Å; Y313-F317 WeakPolarHBondContact O-CB 3.4Å; Y313-F317 WeakPolarHBondContact O-CD1 3.3Å; Y313-F317 WeakPolarHBondContact O-CG 3.47Å; Y313-F317 PolarHBondContact O-N 3.08Å; I314-F317 PolarHBondContact O-N 3.24Å; F317-S321 WeakPolarHBondContact O-CB 3.48Å; F317-S321 PolarHBondContact O-N 3.32Å; F317-S321 VanDerWaalsContact O-N 3.07Å; F317-S321 PolarHBondContact O-OG 3.22Å
318F94.4Very high92.4Very high91 Ų9132 Ų3240%0.39915%0.146SC..Hα-helixtrans-63.8-50.7178.5-177.7-99.8000111.6L69 I314 L315 S321 F322L69-F318 HydrophobicContact CD2-CD2 4.33Å; I314-F318 WeakPolarHBondContact O-CB 3.45Å; I314-F318 PolarHBondContact O-N 3.46Å; L315-F318 PolarHBondContact O-N 3.49Å; F318-S321 PolarHBondContact O-N 2.99Å; F318-F322 HydrophobicContact CE1-CD1 4.08Å; F318-F322 HydrophobicContact CZ-CD1 4.21Å; F318-F322 WeakPolarHBondContact O-CB 3.41Å; F318-F322 PolarHBondContact O-N 3.29Å; F318-F322 VanDerWaalsContact O-N 3.09Å
319L93.6Very high92.1Very high17 Ų1727.9 Ų27.99%0.08913%0.129CC..Hα-helixtrans-61.6-48.2179.7-69.8175000111.6L208 F211 F242 L315 S321 F322 T323L208-L319 HydrophobicContact CD2-CD1 3.63Å; F211-L319 HydrophobicContact CB-CD1 4.39Å; F211-L319 HydrophobicContact CD1-CB 4.22Å; F211-L319 HydrophobicContact CD2-CB 3.98Å; F211-L319 HydrophobicContact CD2-CD1 3.93Å; F211-L319 HydrophobicContact CE1-CB 4.34Å; F211-L319 HydrophobicContact CE2-CB 4.08Å; F211-L319 HydrophobicContact CG-CB 4.02Å; F211-L319 HydrophobicContact CG-CD1 4.32Å; F211-L319 HydrophobicContact CZ-CB 4.24Å; F242-L319 HydrophobicContact CE1-CD2 3.83Å; F242-L319 HydrophobicContact CZ-CD2 3.92Å; L315-L319 HydrophobicContact CD1-CD1 3.92Å; L315-L319 HydrophobicContact CD1-CG 4.14Å; L315-L319 HydrophobicContact CG-CD1 3.93Å; L315-L319 HydrophobicContact CG-CG 4.49Å; L315-L319 WeakPolarHBondContact O-CB 3.43Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.46Å; L315-L319 PolarHBondContact O-N 2.82Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-S321 PolarHBondContact O-N 3.33Å; L319-F322 PolarHBondContact O-N 2.93Å; L319-T323 PolarHBondContact O-N 3.49Å; L319-T323 PolarHBondContact O-OG1 3.06Å
320S92.4Very high91.8Very high0 Ų028.4 Ų28.40%013%0.132CC..Hα-helixtrans-59.8-40.7179.9-550000112L316 F322 C324L316-S320 WeakPolarHBondContact O-CB 3.24Å; L316-S320 PolarHBondContact O-N 3.13Å; L316-S320 PolarHBondContact O-OG 3.15Å; S320-F322 VanDerWaalsContact C-N 3.29Å; S320-F322 PolarHBondContact O-N 2.78Å; S320-C324 WeakPolarHBondContact O-CB 3.42Å; S320-C324 PolarHBondContact O-N 3.43Å; S320-C324 VanDerWaalsContact O-N 3.13Å
321S92.1Very high91Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-67.6-30.7177.7-56.20000112.9V64 L69 N250 F317 F318 L319V64-S321 WeakPolarHBondContact CG1-OG 3.32Å; L69-S321 WeakPolarHBondContact CB-OG 3.47Å; L69-S321 WeakPolarHBondContact CD1-OG 3.34Å; N250-S321 PolarHBondContact ND2-O 3.14Å; F317-S321 WeakPolarHBondContact O-CB 3.48Å; F317-S321 PolarHBondContact O-N 3.32Å; F317-S321 VanDerWaalsContact O-N 3.07Å; F317-S321 PolarHBondContact O-OG 3.22Å; F318-S321 PolarHBondContact O-N 2.99Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-S321 PolarHBondContact O-N 3.33Å
322F91.9Very high90.5Very high47 Ų4720.5 Ų20.521%0.20610%0.101CC..Hα-helixtrans-85.5-24.2-174.7-159.1-169.7000113F242 N243 L247 F318 L319 S320F242-F322 HydrophobicContact CB-CE1 4.49Å; F242-F322 AromaticContact CD1-CD1 3.35Å; F242-F322 HydrophobicContact CD1-CD1 3.35Å; F242-F322 AromaticContact CD1-CE1 3.56Å; F242-F322 HydrophobicContact CD1-CE1 3.56Å; F242-F322 HydrophobicContact CD1-CG 4.03Å; F242-F322 HydrophobicContact CD1-CZ 4.44Å; F242-F322 AromaticContact CE1-CD1 3.82Å; F242-F322 HydrophobicContact CE1-CD1 3.82Å; F242-F322 HydrophobicContact CE1-CE1 4.28Å; F242-F322 HydrophobicContact CG-CE1 4.48Å; N243-F322 PolarHBondContact N-O 2.76Å; N243-F322 WeakPolarHBondContact O-CD2 3.39Å; N243-F322 WeakPolarHBondContact O-CE2 3.48Å; L247-F322 HydrophobicContact CB-CD2 3.67Å; L247-F322 HydrophobicContact CB-CE2 4.12Å; L247-F322 HydrophobicContact CD1-CB 4.32Å; L247-F322 HydrophobicContact CD1-CD2 4.45Å; L247-F322 HydrophobicContact CD2-CD2 4.04Å; L247-F322 HydrophobicContact CD2-CE2 4.1Å; L247-F322 HydrophobicContact CG-CD2 4.27Å; F318-F322 HydrophobicContact CE1-CD1 4.08Å; F318-F322 HydrophobicContact CZ-CD1 4.21Å; F318-F322 WeakPolarHBondContact O-CB 3.41Å; F318-F322 PolarHBondContact O-N 3.29Å; F318-F322 VanDerWaalsContact O-N 3.09Å; L319-F322 PolarHBondContact O-N 2.93Å; S320-F322 VanDerWaalsContact C-N 3.29Å; S320-F322 PolarHBondContact O-N 2.78Å
323T90.6Very high89.9Confident0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-114.3-20.3-172.263.30000115.9F211 F239 T240 G241 F242 L319F211-T323 HydrophobicContact CD1-CG2 4Å; F211-T323 WeakPolarHBondContact CD1-OG1 3.33Å; F211-T323 WeakPolarHBondContact CE1-OG1 3.33Å; F239-T323 WeakPolarHBondContact CD2-O 3.49Å; F239-T323 HydrophobicContact CE2-CG2 4.49Å; T240-T323 PolarHBondContact N-O 3.45Å; T240-T323 PolarHBondContact OG1-O 3.49Å; G241-T323 PolarHBondContact N-O 3.02Å; G241-T323 WeakPolarHBondContact O-CA 3.44Å; F242-T323 HydrophobicContact CD1-CG2 4.07Å; F242-T323 HydrophobicContact CE1-CG2 4.06Å; F242-T323 HydrophobicContact CG-CG2 4.36Å; F242-T323 HydrophobicContact CZ-CG2 4.33Å; L319-T323 PolarHBondContact O-N 3.49Å; L319-T323 PolarHBondContact O-OG1 3.06Å
324C90.8Very high89.4Confident0 Ų021.4 Ų21.40%011%0.107CC..BIsolated β-bridgetrans-115.8134-173.2-60.40000111T246 N250 S320 L328 L329T246-C324 WeakPolarHBondContact CG2-O 3.38Å; N250-C324 PolarHBondContact ND2-O 3.19Å; S320-C324 WeakPolarHBondContact O-CB 3.42Å; S320-C324 PolarHBondContact O-N 3.43Å; S320-C324 VanDerWaalsContact O-N 3.13Å; C324-L328 HydrophobicContact CB-CD2 4.15Å; C324-L329 HydrophobicContact CB-CD1 4.27Å; C324-L329 HydrophobicContact CB-CD2 3.61Å; C324-L329 HydrophobicContact CB-CG 3.84Å
325D91Very high89Confident44 Ų4418.5 Ų18.524%0.2359%0.092CC..  trans-69151.3173.7-172.526.9000112H238 A327 L328 L329H238-D325 HydrophobicContact CB-CB 4.19Å; H238-D325 WeakPolarHBondContact O-CB 3.33Å; H238-D325 PolarHBondContact O-N 3.34Å; D325-A327 PolarHBondContact O-N 3.29Å; D325-L328 WeakPolarHBondContact O-CB 3.42Å; D325-L328 PolarHBondContact O-N 3.48Å; D325-L329 PolarHBondContact O-N 2.92Å
326R87.8Confident88.6Confident59 Ų5916.2 Ų16.222%0.2238%0.08CC..Hα-helixtrans-58.2-37.3-176.5-177.1174.3-75.6164.92.8112.2D249 N250 G252 L328 L329 Q330D249-R326 PolarHBondContact O-NH2 3.09Å; N250-R326 WeakPolarHBondContact OD1-CB 3.44Å; G252-R326 PolarHBondContact O-NH2 3.48Å; R326-L328 VanDerWaalsContact C-N 3.26Å; R326-L328 PolarHBondContact O-N 3.42Å; R326-L329 PolarHBondContact O-N 3.44Å; R326-Q330 HydrophobicContact CG-CG 4.16Å; R326-Q330 WeakPolarHBondContact O-CB 3.24Å; R326-Q330 WeakPolarHBondContact O-CG 3.12Å; R326-Q330 PolarHBondContact O-N 3.45Å
327A86.2Confident88.3Confident9 Ų919.1 Ų19.17%0.0749%0.091CC..Hα-helixtrans-62.2-35.3178.800000112.3L221 D325 G331L221-A327 HydrophobicContact CD1-CB 4.44Å; L221-A327 WeakPolarHBondContact CD1-O 3.38Å; D325-A327 PolarHBondContact O-N 3.29Å; A327-G331 WeakPolarHBondContact O-CA 3.42Å; A327-G331 PolarHBondContact O-N 3.23Å
328L87Confident87.7Confident0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-68.4-49.5175-17961.6000110.7I219 L221 C324 D325 R326 Q330 G331 D332 F335I219-L328 HydrophobicContact CB-CD1 3.94Å; I219-L328 HydrophobicContact CD1-CD1 3.73Å; I219-L328 HydrophobicContact CD1-CD2 3.72Å; I219-L328 HydrophobicContact CD1-CG 4.39Å; I219-L328 HydrophobicContact CG1-CD1 4.45Å; I219-L328 HydrophobicContact CG2-CD1 3.93Å; L221-L328 HydrophobicContact CD2-CD1 3.94Å; C324-L328 HydrophobicContact CB-CD2 4.15Å; D325-L328 WeakPolarHBondContact O-CB 3.42Å; D325-L328 PolarHBondContact O-N 3.48Å; R326-L328 VanDerWaalsContact C-N 3.26Å; R326-L328 PolarHBondContact O-N 3.42Å; L328-Q330 VanDerWaalsContact C-N 3.27Å; L328-Q330 PolarHBondContact O-N 2.94Å; L328-G331 PolarHBondContact O-N 3.49Å; L328-G331 VanDerWaalsContact O-N 3.15Å; L328-D332 PolarHBondContact O-N 3.2Å; L328-D332 VanDerWaalsContact O-N 3.07Å; L328-F335 HydrophobicContact CD1-CB 4.29Å; L328-F335 HydrophobicContact CG-CB 4.19Å
329L87.6Confident87.2Confident0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-61.6-33.2-178.1-64.4179.3000113.3G61 F62 V64 C324 D325 R326 F335G61-L329 CarbonylContact C-O 3.33Å; G61-L329 WeakPolarHBondContact O-CB 3.23Å; F62-L329 PolarHBondContact N-O 2.91Å; V64-L329 HydrophobicContact CB-CD1 4.31Å; V64-L329 HydrophobicContact CG1-CD1 3.78Å; C324-L329 HydrophobicContact CB-CD1 4.27Å; C324-L329 HydrophobicContact CB-CD2 3.61Å; C324-L329 HydrophobicContact CB-CG 3.84Å; D325-L329 PolarHBondContact O-N 2.92Å; R326-L329 PolarHBondContact O-N 3.44Å; L329-F335 HydrophobicContact CD2-CD2 4.42Å; L329-F335 HydrophobicContact CD2-CE1 4.28Å; L329-F335 HydrophobicContact CD2-CE2 4.17Å; L329-F335 HydrophobicContact CD2-CZ 4.09Å
330Q86.6Confident86.8Confident11 Ų1116.3 Ų16.35%0.0518%0.08CC..Hα-helixtrans-87.9-21176.7-66.3-178.2-7.100113.9G65 G254 Y259 R326 L328G65-Q330 PolarHBondContact O-NE2 2.99Å; G254-Q330 PolarHBondContact O-NE2 3.4Å; Y259-Q330 WeakPolarHBondContact CD1-O 3.14Å; R326-Q330 HydrophobicContact CG-CG 4.16Å; R326-Q330 WeakPolarHBondContact O-CB 3.24Å; R326-Q330 WeakPolarHBondContact O-CG 3.12Å; R326-Q330 PolarHBondContact O-N 3.45Å; L328-Q330 VanDerWaalsContact C-N 3.27Å; L328-Q330 PolarHBondContact O-N 2.94Å
331G77.8Confident86.4Confident9 Ų920.9 Ų20.99%0.09310%0.104CC..Hα-helixtrans-99.6-17.8-169.700000114.2A327 L328A327-G331 WeakPolarHBondContact O-CA 3.42Å; A327-G331 PolarHBondContact O-N 3.23Å; L328-G331 PolarHBondContact O-N 3.49Å; L328-G331 VanDerWaalsContact O-N 3.15Å
332D82.8Confident86.2Confident19 Ų1928.1 Ų28.110%0.10213%0.132CC..  trans-145.6113-178.8-177.617.6000112.2L221 L328 G334 F335L221-D332 HydrophobicContact CD2-CB 4.16Å; L328-D332 PolarHBondContact O-N 3.2Å; L328-D332 VanDerWaalsContact O-N 3.07Å; D332-G334 VanDerWaalsContact C-N 3.26Å; D332-G334 PolarHBondContact O-N 2.9Å; D332-G334 WeakPolarHBondContact OD1-CA 3.32Å; D332-G334 PolarHBondContact OD1-N 2.89Å; D332-F335 WeakPolarHBondContact OD2-CA 3.06Å; D332-F335 PolarHBondContact OD2-N 3.35Å
333Y82.7Confident85.8Confident21 Ų2128.4 Ų28.48%0.08214%0.138CC..THydrogen-bonded Turntrans-66-29.1171.8-66.7-20.5000112.6L58 R59 F62 D258 Y259 T260 F335L58-Y333 WeakPolarHBondContact CA-O 3.5Å; L58-Y333 VanDerWaalsContact O-CB 3.31Å; L58-Y333 WeakPolarHBondContact O-CB 3.14Å; R59-Y333 VanDerWaalsContact NH1-CG 3.33Å; F62-Y333 HydrophobicContact CB-CD1 4.08Å; F62-Y333 HydrophobicContact CB-CE1 3.75Å; F62-Y333 AromaticContact CD2-CE1 3.63Å; F62-Y333 HydrophobicContact CD2-CE1 3.63Å; F62-Y333 AromaticContact CG-CE1 3.96Å; F62-Y333 HydrophobicContact CG-CE1 3.96Å; D258-Y333 PolarHBondContact OD1-OH 2.95Å; D258-Y333 PolarHBondContact OD2-OH 3.06Å; Y259-Y333 HydrophobicContact CD1-CE1 4.33Å; Y259-Y333 AromaticContact CE1-CD1 3.61Å; Y259-Y333 HydrophobicContact CE1-CD1 3.61Å; Y259-Y333 HydrophobicContact CE1-CD2 4.05Å; Y259-Y333 AromaticContact CE1-CE1 3.51Å; Y259-Y333 HydrophobicContact CE1-CE1 3.51Å; Y259-Y333 HydrophobicContact CE1-CE2 4.03Å; Y259-Y333 AromaticContact CE1-CG 3.91Å; Y259-Y333 HydrophobicContact CE1-CG 3.91Å; Y259-Y333 AromaticContact CE1-CZ 3.79Å; Y259-Y333 AromaticContact CZ-CD2 3.74Å; Y259-Y333 AromaticContact CZ-CG 3.8Å; Y259-Y333 VanDerWaalsContact OH-CB 3.3Å; Y259-Y333 WeakPolarHBondContact OH-CB 3.36Å; Y259-Y333 WeakPolarHBondContact OH-CD2 3.4Å; Y259-Y333 PolarHBondContact OH-N 3.09Å; T260-Y333 HydrophobicContact CG2-CD2 3.99Å; T260-Y333 HydrophobicContact CG2-CE2 3.39Å; Y333-F335 VanDerWaalsContact C-N 3.3Å; Y333-F335 PolarHBondContact O-N 3.32Å
334G83.3Confident85.7Confident10 Ų1031.2 Ų31.210%0.10316%0.156CC..THydrogen-bonded Turntrans-85.711-179.400000114.5D332 F336 R337D332-G334 VanDerWaalsContact C-N 3.26Å; D332-G334 PolarHBondContact O-N 2.9Å; D332-G334 WeakPolarHBondContact OD1-CA 3.32Å; D332-G334 PolarHBondContact OD1-N 2.89Å; G334-F336 PolarHBondContact O-N 2.95Å; G334-R337 WeakPolarHBondContact O-CB 3.28Å; G334-R337 PolarHBondContact O-N 3.49Å
335F86.1Confident85.6Confident0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-53.9-28.1-168.382.4-81.9000114.5G61 F211 L328 L329 D332 Y333 R337 D338 I339G61-F335 VanDerWaalsContact CA-CE1 3.48Å; F211-F335 HydrophobicContact CZ-CE2 4.31Å; L328-F335 HydrophobicContact CD1-CB 4.29Å; L328-F335 HydrophobicContact CG-CB 4.19Å; L329-F335 HydrophobicContact CD2-CD2 4.42Å; L329-F335 HydrophobicContact CD2-CE1 4.28Å; L329-F335 HydrophobicContact CD2-CE2 4.17Å; L329-F335 HydrophobicContact CD2-CZ 4.09Å; D332-F335 WeakPolarHBondContact OD2-CA 3.06Å; D332-F335 PolarHBondContact OD2-N 3.35Å; Y333-F335 VanDerWaalsContact C-N 3.3Å; Y333-F335 PolarHBondContact O-N 3.32Å; F335-R337 PolarHBondContact O-N 3.27Å; F335-D338 PolarHBondContact O-N 2.92Å; F335-D338 VanDerWaalsContact O-N 3.09Å; F335-I339 HydrophobicContact CD2-CD1 4Å; F335-I339 HydrophobicContact CD2-CG1 4.43Å; F335-I339 HydrophobicContact CE2-CD1 3.86Å; F335-I339 WeakPolarHBondContact O-CG1 3.38Å; F335-I339 PolarHBondContact O-N 3.13Å; F335-I339 VanDerWaalsContact O-N 3.1Å
336F87.4Confident85.5Confident3 Ų331 Ų311%0.01316%0.155CC..Hα-helixtrans-57.7-33.5173.7-73.3-52.6000113.1V56 F57 I60 V207 F211 L316 G334 D338 I339 S340 V346V56-F336 WeakPolarHBondContact O-CE2 3.38Å; F57-F336 HydrophobicContact CB-CD2 4.45Å; F57-F336 HydrophobicContact CD1-CD2 4.29Å; F57-F336 WeakPolarHBondContact O-CD2 3.44Å; F57-F336 WeakPolarHBondContact O-CE2 3.45Å; I60-F336 HydrophobicContact CB-CE2 4.21Å; I60-F336 HydrophobicContact CB-CZ 4.24Å; I60-F336 HydrophobicContact CD1-CZ 4.43Å; I60-F336 HydrophobicContact CG2-CZ 4.21Å; V207-F336 HydrophobicContact CG1-CD1 3.36Å; V207-F336 HydrophobicContact CG1-CE1 3.49Å; V207-F336 VanDerWaalsContact CG1-CE1 3.49Å; V207-F336 HydrophobicContact CG1-CG 4.12Å; V207-F336 HydrophobicContact CG1-CZ 4.36Å; V207-F336 HydrophobicContact CG2-CB 4.35Å; V207-F336 HydrophobicContact CG2-CD1 4.4Å; V207-F336 HydrophobicContact CG2-CG 4.45Å; F211-F336 HydrophobicContact CE2-CD1 4.32Å; F211-F336 AromaticContact CE2-CE1 3.68Å; F211-F336 HydrophobicContact CE2-CE1 3.68Å; F211-F336 HydrophobicContact CZ-CD1 4.21Å; F211-F336 AromaticContact CZ-CE1 3.56Å; F211-F336 HydrophobicContact CZ-CE1 3.56Å; L316-F336 HydrophobicContact CD2-CE1 4.47Å; L316-F336 HydrophobicContact CD2-CZ 4.37Å; G334-F336 PolarHBondContact O-N 2.95Å; F336-D338 VanDerWaalsContact C-N 3.32Å; F336-I339 HydrophobicContact CD1-CD1 4.06Å; F336-S340 WeakPolarHBondContact O-CB 3.45Å; F336-S340 PolarHBondContact O-N 2.92Å; F336-S340 VanDerWaalsContact O-N 3.11Å; F336-V346 HydrophobicContact CB-CG1 3.88Å
337R86.6Confident85.6Confident60 Ų6029.6 Ų29.623%0.22615%0.152CC..Hα-helixtrans-60-46.4174.8-176-179.668.9-162.3-2.9110.2D145 G334 F335 S340 P343D145-R337 IonicContact OD2-CZ 2.88Å; D145-R337 IonicContact OD2-NH1 3.73Å; D145-R337 PolarHBondContact OD2-NH1 3.25Å; D145-R337 IonicContact OD2-NH2 2.63Å; G334-R337 WeakPolarHBondContact O-CB 3.28Å; G334-R337 PolarHBondContact O-N 3.49Å; F335-R337 PolarHBondContact O-N 3.27Å; R337-S340 PolarHBondContact O-N 3.24Å; R337-S340 PolarHBondContact O-OG 3.19Å; R337-P343 HydrophobicContact CG-CB 3.87Å
338D82.2Confident85.8Confident46 Ų4632.6 Ų32.625%0.24617%0.165CC..Hα-helixtrans-76.8-29.8-171.1-670.7000112.6I219 F335 F336I219-D338 HydrophobicContact CD1-CB 3.65Å; I219-D338 HydrophobicContact CG1-CB 4.09Å; I219-D338 HydrophobicContact CG2-CB 4.32Å; I219-D338 WeakPolarHBondContact CG2-OD2 3.3Å; F335-D338 PolarHBondContact O-N 2.92Å; F335-D338 VanDerWaalsContact O-N 3.09Å; F336-D338 VanDerWaalsContact C-N 3.32Å
339I84.4Confident86Confident2 Ų232.6 Ų32.61%0.0117%0.165CC..Hα-helixtrans-89.4-6.9175.469.9167.6000113.6S210 F211 V214 I219 F239 F335 F336S210-I339 WeakPolarHBondContact CB-O 3.25Å; F211-I339 HydrophobicContact CD1-CD1 3.92Å; F211-I339 HydrophobicContact CE1-CD1 3.45Å; F211-I339 VanDerWaalsContact CE1-CD1 3.45Å; F211-I339 HydrophobicContact CE2-CD1 4.38Å; F211-I339 HydrophobicContact CZ-CD1 3.74Å; V214-I339 WeakPolarHBondContact CG2-O 3.39Å; I219-I339 HydrophobicContact CD1-CG2 4.06Å; F239-I339 HydrophobicContact CB-CG2 4.11Å; F239-I339 HydrophobicContact CD2-CB 4.15Å; F239-I339 HydrophobicContact CD2-CG2 3.48Å; F239-I339 VanDerWaalsContact CD2-CG2 3.48Å; F239-I339 HydrophobicContact CE2-CB 4.14Å; F239-I339 HydrophobicContact CE2-CD1 4.15Å; F239-I339 HydrophobicContact CE2-CG2 3.97Å; F239-I339 HydrophobicContact CG-CG2 3.8Å; F335-I339 HydrophobicContact CD2-CD1 4Å; F335-I339 HydrophobicContact CD2-CG1 4.43Å; F335-I339 HydrophobicContact CE2-CD1 3.86Å; F335-I339 WeakPolarHBondContact O-CG1 3.38Å; F335-I339 PolarHBondContact O-N 3.13Å; F335-I339 VanDerWaalsContact O-N 3.1Å; F336-I339 HydrophobicContact CD1-CD1 4.06Å
340S85.4Confident86.2Confident2 Ų232.9 Ų32.91%0.01417%0.167CC..  trans-75.1150.2-175.966.90000113.7S210 F336 R337 W342 P343S210-S340 WeakPolarHBondContact OG-CA 3.18Å; F336-S340 WeakPolarHBondContact O-CB 3.45Å; F336-S340 PolarHBondContact O-N 2.92Å; F336-S340 VanDerWaalsContact O-N 3.11Å; R337-S340 PolarHBondContact O-N 3.24Å; R337-S340 PolarHBondContact O-OG 3.19Å; S340-W342 VanDerWaalsContact C-N 3.27Å; S340-P343 WeakPolarHBondContact OG-CA 3.34Å; S340-P343 VanDerWaalsContact OG-N 3.13Å
341L85.1Confident86.4Confident96 Ų9634.6 Ų34.650%0.50317%0.173SC..SBendtrans-63-38.3168.6-90.482.9000111.3S210 A213 V214S210-L341 VanDerWaalsContact CA-CD1 3.41Å; S210-L341 VanDerWaalsContact OG-CD1 3.3Å; S210-L341 WeakPolarHBondContact OG-CD1 3.39Å; S210-L341 PolarHBondContact OG-N 3.36Å; A213-L341 HydrophobicContact CB-CD1 3.85Å; A213-L341 HydrophobicContact CB-CD2 4.33Å; V214-L341 HydrophobicContact CG2-CD1 3.4Å; V214-L341 HydrophobicContact CG2-CG 4.04Å
342W86.2Confident87.1Confident153 Ų15334.6 Ų34.658%0.5817%0.173SC*.SBendtrans-135.290.6-177.8-162.640000111.1S340 P344 L345S340-W342 VanDerWaalsContact C-N 3.27Å; W342-P344 VanDerWaalsContact C-N 3.35Å; W342-L345 HydrophobicContact CD2-CB 4.31Å; W342-L345 HydrophobicContact CE3-CB 3.67Å; W342-L345 HydrophobicContact CE3-CD1 4.49Å; W342-L345 HydrophobicContact CE3-CD2 4.19Å; W342-L345 HydrophobicContact CE3-CG 4.34Å; W342-L345 HydrophobicContact CZ3-CB 4.25Å; W342-L345 HydrophobicContact CZ3-CD1 4.37Å; W342-L345 WeakPolarHBondContact O-CB 3.41Å; W342-L345 PolarHBondContact O-N 3.33Å
343P84.3Confident87.5Confident52 Ų5233.7 Ų33.734%0.33817%0.168SC..Hα-helixtrans-51.2-39.2-176.2-27.233.5000116.1R337 S340 L345 V346 L347R337-P343 HydrophobicContact CG-CB 3.87Å; S340-P343 WeakPolarHBondContact OG-CA 3.34Å; S340-P343 VanDerWaalsContact OG-N 3.13Å; P343-L345 PolarHBondContact O-N 2.81Å; P343-V346 PolarHBondContact O-N 2.84Å; P343-L347 PolarHBondContact O-N 3.43Å
344P87.8Confident87.9Confident59 Ų5932.7 Ų32.738%0.38316%0.164SC..Hα-helixtrans-59.3-30.7177.1-26.236.4000113.9W342 L347 I348W342-P344 VanDerWaalsContact C-N 3.35Å; P344-L347 PolarHBondContact O-N 3.44Å; P344-I348 VanDerWaalsContact O-CG1 3.28Å; P344-I348 WeakPolarHBondContact O-CG1 3.47Å; P344-I348 PolarHBondContact O-N 3.33Å
345L89.3Confident88.3Confident39 Ų3934.3 Ų34.320%0.20417%0.17CC..Hα-helixtrans-70-37.7-179.4-172.261.1000112S203 S206 W342 P343 I348 G349S203-L345 WeakPolarHBondContact CB-O 3.26Å; S206-L345 VanDerWaalsContact CB-CD2 3.44Å; W342-L345 HydrophobicContact CD2-CB 4.31Å; W342-L345 HydrophobicContact CE3-CB 3.67Å; W342-L345 HydrophobicContact CE3-CD1 4.49Å; W342-L345 HydrophobicContact CE3-CD2 4.19Å; W342-L345 HydrophobicContact CE3-CG 4.34Å; W342-L345 HydrophobicContact CZ3-CB 4.25Å; W342-L345 HydrophobicContact CZ3-CD1 4.37Å; W342-L345 WeakPolarHBondContact O-CB 3.41Å; W342-L345 PolarHBondContact O-N 3.33Å; P343-L345 PolarHBondContact O-N 2.81Å; L345-I348 PolarHBondContact O-N 3.01Å; L345-G349 PolarHBondContact O-N 3.25Å
346V89.1Confident88.5Confident0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-65.6-41.9174.4-177.70000110.3F57 V207 F336 P343 I348 G349 I350F57-V346 HydrophobicContact CD1-CG1 4.1Å; F57-V346 HydrophobicContact CE1-CG1 4.45Å; V207-V346 HydrophobicContact CG2-CG2 3.81Å; F336-V346 HydrophobicContact CB-CG1 3.88Å; P343-V346 PolarHBondContact O-N 2.84Å; V346-I348 PolarHBondContact O-N 3.48Å; V346-G349 WeakPolarHBondContact O-CA 3.43Å; V346-G349 PolarHBondContact O-N 3.03Å; V346-G349 VanDerWaalsContact O-N 3.11Å; V346-I350 HydrophobicContact CG1-CD1 4.03Å; V346-I350 WeakPolarHBondContact O-CG1 3.34Å; V346-I350 PolarHBondContact O-N 3.49Å
347L89Confident88.6Confident31 Ų3134.3 Ų34.316%0.16217%0.17CC..Hα-helixtrans-61-44.4175.5-68.8176.8000112.3V146 P343 P344 G349 I350 Y351V146-L347 HydrophobicContact CG1-CD1 4.28Å; V146-L347 HydrophobicContact CG2-CD1 4.16Å; V146-L347 HydrophobicContact CG2-CD2 3.63Å; P343-L347 PolarHBondContact O-N 3.43Å; P344-L347 PolarHBondContact O-N 3.44Å; L347-G349 VanDerWaalsContact C-N 3.26Å; L347-G349 PolarHBondContact O-N 3.45Å; L347-I350 HydrophobicContact CD2-CD1 4.38Å; L347-I350 PolarHBondContact O-N 3.33Å; L347-Y351 VanDerWaalsContact O-CG 3.31Å; L347-Y351 PolarHBondContact O-N 3.03Å
348I91.3Very high88.9Confident71 Ų7131.4 Ų31.436%0.36416%0.159SC..Hα-helixtrans-59.1-41.1173.7-68.4163.9000110.4L199 P344 L345 V346 Y351 A352L199-I348 HydrophobicContact CB-CG2 4.45Å; L199-I348 HydrophobicContact CD1-CG2 4.27Å; L199-I348 HydrophobicContact CD2-CG2 4.13Å; P344-I348 VanDerWaalsContact O-CG1 3.28Å; P344-I348 WeakPolarHBondContact O-CG1 3.47Å; P344-I348 PolarHBondContact O-N 3.33Å; L345-I348 PolarHBondContact O-N 3.01Å; V346-I348 PolarHBondContact O-N 3.48Å; I348-Y351 PolarHBondContact O-N 2.9Å; I348-A352 WeakPolarHBondContact O-CB 3.42Å; I348-A352 PolarHBondContact O-N 2.82Å
349G91.6Very high89.3Confident0 Ų029.8 Ų29.80%015%0.15CC..Hα-helixtrans-59.4-48.8175.100000113.2S203 L345 V346 L347 T353S203-G349 VanDerWaalsContact OG-CA 3.27Å; S203-G349 WeakPolarHBondContact OG-CA 3.27Å; L345-G349 PolarHBondContact O-N 3.25Å; V346-G349 WeakPolarHBondContact O-CA 3.43Å; V346-G349 PolarHBondContact O-N 3.03Å; V346-G349 VanDerWaalsContact O-N 3.11Å; L347-G349 VanDerWaalsContact C-N 3.26Å; L347-G349 PolarHBondContact O-N 3.45Å; G349-T353 WeakPolarHBondContact O-CB 3.15Å; G349-T353 PolarHBondContact O-N 3.37Å; G349-T353 PolarHBondContact O-OG1 3.49Å
350I90.5Very high89.5Confident7 Ų730 Ų304%0.03615%0.152CC..Hα-helixtrans-58.7-49.7177.5-67.7161.6000110.4I54 F57 L58 V346 L347 T353 A354I54-I350 HydrophobicContact CD1-CG2 4.19Å; I54-I350 HydrophobicContact CG1-CG2 4.09Å; F57-I350 HydrophobicContact CB-CD1 4.22Å; F57-I350 HydrophobicContact CB-CG1 3.5Å; F57-I350 VanDerWaalsContact CB-CG1 3.5Å; F57-I350 HydrophobicContact CD1-CG1 4.34Å; F57-I350 HydrophobicContact CD2-CG1 4.18Å; F57-I350 HydrophobicContact CG-CG1 3.77Å; L58-I350 HydrophobicContact CD1-CG2 4.24Å; L58-I350 HydrophobicContact CD2-CD1 4.02Å; V346-I350 HydrophobicContact CG1-CD1 4.03Å; V346-I350 WeakPolarHBondContact O-CG1 3.34Å; V346-I350 PolarHBondContact O-N 3.49Å; L347-I350 HydrophobicContact CD2-CD1 4.38Å; L347-I350 PolarHBondContact O-N 3.33Å; I350-T353 PolarHBondContact O-N 2.92Å; I350-A354 WeakPolarHBondContact O-CB 3.43Å; I350-A354 PolarHBondContact O-N 3.05Å
351Y91.8Very high89.7Confident47 Ų4730.2 Ų30.218%0.18415%0.154CC..Hα-helixtrans-67.3-44.5-178.4-61.1-20.5000112.6L139 I143 L347 I348 T353 A354 L355L139-Y351 HydrophobicContact CD1-CD1 3.46Å; L139-Y351 VanDerWaalsContact CD1-CD1 3.46Å; L139-Y351 HydrophobicContact CD1-CE1 4.26Å; L139-Y351 HydrophobicContact CD1-CG 4.05Å; I143-Y351 HydrophobicContact CG1-CD1 4.33Å; I143-Y351 HydrophobicContact CG1-CE1 3.73Å; L347-Y351 VanDerWaalsContact O-CG 3.31Å; L347-Y351 PolarHBondContact O-N 3.03Å; I348-Y351 PolarHBondContact O-N 2.9Å; Y351-T353 VanDerWaalsContact C-N 3.31Å; Y351-T353 PolarHBondContact O-N 3.35Å; Y351-A354 PolarHBondContact O-N 3.43Å; Y351-L355 WeakPolarHBondContact O-CB 3.36Å; Y351-L355 WeakPolarHBondContact O-CG 3.37Å; Y351-L355 PolarHBondContact O-N 3.06Å
352A92.4Very high90.1Very high9 Ų925.7 Ų25.77%0.07413%0.13CC..Hα-helixtrans-62.5-40.7178.400000111.7T196 L199 V200 I348 S356T196-A352 HydrophobicContact CG2-CB 4.36Å; L199-A352 HydrophobicContact CB-CB 4.17Å; L199-A352 HydrophobicContact CD1-CB 4.26Å; V200-A352 HydrophobicContact CG2-CB 4.16Å; I348-A352 WeakPolarHBondContact O-CB 3.42Å; I348-A352 PolarHBondContact O-N 2.82Å; A352-S356 VanDerWaalsContact O-CB 3.28Å; A352-S356 WeakPolarHBondContact O-CB 3.37Å; A352-S356 PolarHBondContact O-N 2.9Å
353T90.7Very high90.2Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-61-53.4176.3-68.20000111.8F52 V200 G349 I350 Y351 L355 S356 A357F52-T353 WeakPolarHBondContact O-CG2 3.4Å; V200-T353 WeakPolarHBondContact CG2-OG1 3.28Å; G349-T353 WeakPolarHBondContact O-CB 3.15Å; G349-T353 PolarHBondContact O-N 3.37Å; G349-T353 PolarHBondContact O-OG1 3.49Å; I350-T353 PolarHBondContact O-N 2.92Å; Y351-T353 VanDerWaalsContact C-N 3.31Å; Y351-T353 PolarHBondContact O-N 3.35Å; T353-L355 PolarHBondContact O-N 3.05Å; T353-S356 PolarHBondContact O-N 3.08Å; T353-S356 VanDerWaalsContact O-N 3.16Å; T353-A357 PolarHBondContact O-N 3.14Å
354A91.1Very high90.4Very high0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-67.4-37.3-175.900000112.1I54 L139 I350 Y351 S358I54-A354 HydrophobicContact CB-CB 4.36Å; I54-A354 HydrophobicContact CD1-CB 3.93Å; I54-A354 HydrophobicContact CG1-CB 4.29Å; L139-A354 HydrophobicContact CB-CB 3.83Å; L139-A354 HydrophobicContact CD1-CB 4.16Å; L139-A354 HydrophobicContact CD2-CB 4.47Å; L139-A354 HydrophobicContact CG-CB 4.38Å; I350-A354 WeakPolarHBondContact O-CB 3.43Å; I350-A354 PolarHBondContact O-N 3.05Å; Y351-A354 PolarHBondContact O-N 3.43Å; A354-S358 PolarHBondContact O-N 3.17Å; A354-S358 PolarHBondContact O-OG 3.47Å
355L91.4Very high90.5Very high44 Ų4413.6 Ų13.623%0.237%0.07CC..Hα-helixtrans-63.1-41.6171.1-76174.5000111.9L139 L174 V178 Y351 T353 S358 M359L139-L355 HydrophobicContact CD2-CD2 3.48Å; L139-L355 VanDerWaalsContact CD2-CD2 3.48Å; L139-L355 HydrophobicContact CD2-CG 3.62Å; L174-L355 HydrophobicContact CD2-CD2 4.34Å; V178-L355 HydrophobicContact CG2-CD2 4.19Å; Y351-L355 WeakPolarHBondContact O-CB 3.36Å; Y351-L355 WeakPolarHBondContact O-CG 3.37Å; Y351-L355 PolarHBondContact O-N 3.06Å; T353-L355 PolarHBondContact O-N 3.05Å; L355-S358 WeakPolarHBondContact CA-OG 3.36Å; L355-S358 PolarHBondContact O-OG 2.64Å; L355-M359 WeakPolarHBondContact O-CB 3.33Å; L355-M359 WeakPolarHBondContact O-CE 3.47Å; L355-M359 VanDerWaalsContact O-CG 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.31Å; L355-M359 PolarHBondContact O-N 3.05Å
356S90.8Very high90.6Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-67.2-42.8178.5-167.60000112.9L49 A352 T353 S358 M359 S360L49-S356 WeakPolarHBondContact CD1-OG 3.3Å; A352-S356 VanDerWaalsContact O-CB 3.28Å; A352-S356 WeakPolarHBondContact O-CB 3.37Å; A352-S356 PolarHBondContact O-N 2.9Å; T353-S356 PolarHBondContact O-N 3.08Å; T353-S356 VanDerWaalsContact O-N 3.16Å; S356-S358 PolarHBondContact O-N 3.16Å; S356-M359 PolarHBondContact O-N 3.46Å; S356-S360 WeakPolarHBondContact O-CB 3.44Å; S356-S360 PolarHBondContact O-N 2.89Å
357A89.7Confident90.4Very high2 Ų213.2 Ų13.22%0.0177%0.066CC..Hα-helixtrans-62.3-41.2176.800000112.2T353 S360 S361T353-A357 PolarHBondContact O-N 3.14Å; A357-S360 PolarHBondContact O-N 3.24Å; A357-S361 WeakPolarHBondContact O-CB 3.49Å; A357-S361 PolarHBondContact O-N 3.11Å; A357-S361 PolarHBondContact O-OG 2.93Å
358S91.9Very high90.4Very high0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-67.6-42.3175.252.40000112.6C132 A354 L355 S356 S361 L362C132-S358 PolarHBondContact SG-O 3.35Å; A354-S358 PolarHBondContact O-N 3.17Å; A354-S358 PolarHBondContact O-OG 3.47Å; L355-S358 WeakPolarHBondContact CA-OG 3.36Å; L355-S358 PolarHBondContact O-OG 2.64Å; S356-S358 PolarHBondContact O-N 3.16Å; S358-S361 PolarHBondContact O-N 3Å; S358-L362 WeakPolarHBondContact O-CB 3.3Å; S358-L362 PolarHBondContact O-N 3.01Å
359M90.8Very high90.3Very high12 Ų128.8 Ų8.86%0.0594%0.044CC..Hα-helixtrans-60.2-46.3172.4-74.5-174.5-6700112.1V178 V181 Y189 L355 S356 S361 L362 I363V178-M359 HydrophobicContact CB-CG 4.44Å; V178-M359 HydrophobicContact CG1-CB 4.42Å; V178-M359 HydrophobicContact CG1-CG 3.87Å; V178-M359 HydrophobicContact CG2-CG 4.19Å; V181-M359 HydrophobicContact CB-SD 4.37Å; V181-M359 HydrophobicContact CG1-SD 3.88Å; Y189-M359 HydrophobicContact CD2-CB 4.03Å; Y189-M359 HydrophobicContact CE2-CB 3.82Å; L355-M359 WeakPolarHBondContact O-CB 3.33Å; L355-M359 WeakPolarHBondContact O-CE 3.47Å; L355-M359 VanDerWaalsContact O-CG 3.31Å; L355-M359 WeakPolarHBondContact O-CG 3.31Å; L355-M359 PolarHBondContact O-N 3.05Å; S356-M359 PolarHBondContact O-N 3.46Å; M359-S361 PolarHBondContact O-N 2.89Å; M359-L362 PolarHBondContact O-N 2.86Å; M359-I363 WeakPolarHBondContact O-CB 2.92Å; M359-I363 WeakPolarHBondContact O-CG1 3.34Å; M359-I363 PolarHBondContact O-N 2.91Å
360S89.4Confident90Very high5 Ų59.8 Ų9.84%0.0355%0.048CC..Hα-helixtrans-61.5-44.9179.4-169.60000111.7Y189 A283 S356 A357 I363 G364Y189-S360 WeakPolarHBondContact OH-CB 3.45Å; Y189-S360 PolarHBondContact OH-OG 3.39Å; A283-S360 VanDerWaalsContact CB-OG 3.25Å; A283-S360 WeakPolarHBondContact CB-OG 3.24Å; S356-S360 WeakPolarHBondContact O-CB 3.44Å; S356-S360 PolarHBondContact O-N 2.89Å; A357-S360 PolarHBondContact O-N 3.24Å; S360-I363 PolarHBondContact O-N 3.27Å; S360-G364 PolarHBondContact O-N 2.89Å
361S90.5Very high89.6Confident8 Ų89.5 Ų9.56%0.0565%0.047CC..Hα-helixtrans-65.9-43178.8-57.50000111.8N128 A357 S358 M359 G364 A365N128-S361 WeakPolarHBondContact CB-O 3.42Å; N128-S361 WeakPolarHBondContact O-CB 3.36Å; A357-S361 WeakPolarHBondContact O-CB 3.49Å; A357-S361 PolarHBondContact O-N 3.11Å; A357-S361 PolarHBondContact O-OG 2.93Å; S358-S361 PolarHBondContact O-N 3Å; M359-S361 PolarHBondContact O-N 2.89Å; S361-G364 PolarHBondContact O-N 2.71Å; S361-A365 WeakPolarHBondContact O-CB 3.33Å; S361-A365 PolarHBondContact O-N 3.47Å
362L92.1Very high89.2Confident0 Ų07.3 Ų7.30%04%0.038CC..Hα-helixtrans-66.1-40.3178-173.662.4000112V178 C182 S358 M359 S366 V405V178-L362 HydrophobicContact CG1-CB 4.26Å; V178-L362 HydrophobicContact CG1-CD2 3.81Å; C182-L362 HydrophobicContact CB-CD2 4.12Å; S358-L362 WeakPolarHBondContact O-CB 3.3Å; S358-L362 PolarHBondContact O-N 3.01Å; M359-L362 PolarHBondContact O-N 2.86Å; L362-S366 WeakPolarHBondContact O-CB 3.28Å; L362-S366 PolarHBondContact O-N 3.47Å; L362-S366 PolarHBondContact O-OG 3.33Å; L362-V405 HydrophobicContact CD1-CG2 4.25Å
363I88.9Confident88.8Confident11 Ų117 Ų76%0.0564%0.036CC..Hα-helixtrans-65.2-45.9174.6-71.2169.3000110.3C182 Y189 M359 S360 A365 S366 R367C182-I363 HydrophobicContact CB-CG1 3.98Å; C182-I363 VanDerWaalsContact SG-CG1 3.54Å; Y189-I363 HydrophobicContact CD1-CD1 3.52Å; Y189-I363 HydrophobicContact CD2-CD1 3.18Å; Y189-I363 HydrophobicContact CE1-CD1 3.97Å; Y189-I363 HydrophobicContact CE2-CD1 3.67Å; Y189-I363 HydrophobicContact CG-CD1 3.08Å; M359-I363 WeakPolarHBondContact O-CB 2.92Å; M359-I363 WeakPolarHBondContact O-CG1 3.34Å; M359-I363 PolarHBondContact O-N 2.91Å; S360-I363 PolarHBondContact O-N 3.27Å; I363-A365 PolarHBondContact O-N 3.26Å; I363-S366 WeakPolarHBondContact CA-OG 3.39Å; I363-S366 PolarHBondContact O-N 3.47Å; I363-S366 PolarHBondContact O-OG 3.44Å; I363-R367 HydrophobicContact CG2-CG 4.2Å; I363-R367 VanDerWaalsContact O-CG 3.26Å; I363-R367 WeakPolarHBondContact O-CG 3.31Å; I363-R367 PolarHBondContact O-N 2.87Å
364G88.7Confident88.2Confident0 Ų011.9 Ų11.90%06%0.059CC..Hα-helixtrans-54.1-52.3174.500000112.3N286 S360 S361 S366 R367 I368N286-G364 WeakPolarHBondContact ND2-CA 3.36Å; S360-G364 PolarHBondContact O-N 2.89Å; S361-G364 PolarHBondContact O-N 2.71Å; G364-S366 PolarHBondContact O-N 3.48Å; G364-R367 PolarHBondContact O-N 2.95Å; G364-I368 WeakPolarHBondContact O-CB 3.36Å; G364-I368 WeakPolarHBondContact O-CD1 3.48Å; G364-I368 VanDerWaalsContact O-CG1 3.23Å; G364-I368 WeakPolarHBondContact O-CG1 3.44Å; G364-I368 PolarHBondContact O-N 3Å
365A90.4Very high87.6Confident0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-56.3-49.1176.800000111.9Y125 N128 V129 S361 I363 R367 I368 L369Y125-A365 HydrophobicContact CD2-CB 3.92Å; Y125-A365 WeakPolarHBondContact CD2-O 3.42Å; Y125-A365 HydrophobicContact CE2-CB 3.89Å; N128-A365 HydrophobicContact CB-CB 3.83Å; V129-A365 HydrophobicContact CG2-CB 3.98Å; S361-A365 WeakPolarHBondContact O-CB 3.33Å; S361-A365 PolarHBondContact O-N 3.47Å; I363-A365 PolarHBondContact O-N 3.26Å; A365-R367 PolarHBondContact O-N 2.87Å; A365-I368 PolarHBondContact O-N 3.44Å; A365-L369 VanDerWaalsContact O-CB 3.27Å; A365-L369 WeakPolarHBondContact O-CB 3.37Å; A365-L369 PolarHBondContact O-N 3.25Å
366S89.7Confident86.8Confident1 Ų116.8 Ų16.81%0.0079%0.085CC..Hα-helixtrans-64.1-37.8-17867.20000113.4L362 I363 G364 H370 A397L362-S366 WeakPolarHBondContact O-CB 3.28Å; L362-S366 PolarHBondContact O-N 3.47Å; L362-S366 PolarHBondContact O-OG 3.33Å; I363-S366 WeakPolarHBondContact CA-OG 3.39Å; I363-S366 PolarHBondContact O-N 3.47Å; I363-S366 PolarHBondContact O-OG 3.44Å; G364-S366 PolarHBondContact O-N 3.48Å; S366-H370 VanDerWaalsContact O-CB 3.29Å; S366-H370 WeakPolarHBondContact O-CB 3.13Å; S366-H370 PolarHBondContact O-N 2.79Å; S366-A397 VanDerWaalsContact O-CB 3.23Å; S366-A397 WeakPolarHBondContact O-CB 3.25Å
367R86.7Confident85.6Confident29 Ų2920.6 Ų20.611%0.10911%0.105CC..Hα-helixtrans-71.7-41.5178.9-65.2-66.5173.2166.31.1111.6I363 G364 A365 H370 A371 N393I363-R367 HydrophobicContact CG2-CG 4.2Å; I363-R367 VanDerWaalsContact O-CG 3.26Å; I363-R367 WeakPolarHBondContact O-CG 3.31Å; I363-R367 PolarHBondContact O-N 2.87Å; G364-R367 PolarHBondContact O-N 2.95Å; A365-R367 PolarHBondContact O-N 2.87Å; R367-H370 PolarHBondContact O-N 2.92Å; R367-A371 WeakPolarHBondContact O-CB 3.46Å; R367-A371 PolarHBondContact O-N 3.02Å; R367-N393 PolarHBondContact NH2-OD1 3.26Å
368I88Confident84.5Confident4 Ų425 Ų252%0.02112%0.124CC..Hα-helixtrans-61.7-48.2173.7-65.9164.1000110.1Y105 G121 F124 N128 G364 A365 H370 A371 L372Y105-I368 HydrophobicContact CG-CG2 4.44Å; G121-I368 VanDerWaalsContact O-CG2 3.31Å; G121-I368 WeakPolarHBondContact O-CG2 3.23Å; F124-I368 HydrophobicContact CB-CD1 3.78Å; N128-I368 WeakPolarHBondContact ND2-CD1 3.49Å; G364-I368 WeakPolarHBondContact O-CB 3.36Å; G364-I368 WeakPolarHBondContact O-CD1 3.48Å; G364-I368 VanDerWaalsContact O-CG1 3.23Å; G364-I368 WeakPolarHBondContact O-CG1 3.44Å; G364-I368 PolarHBondContact O-N 3Å; A365-I368 PolarHBondContact O-N 3.44Å; I368-H370 VanDerWaalsContact C-N 3.34Å; I368-H370 PolarHBondContact O-N 3.1Å; I368-A371 PolarHBondContact O-N 3.29Å; I368-L372 HydrophobicContact CG2-CD1 3.76Å; I368-L372 HydrophobicContact CG2-CG 4.39Å; I368-L372 WeakPolarHBondContact O-CB 3.37Å; I368-L372 WeakPolarHBondContact O-CG 3.48Å; I368-L372 PolarHBondContact O-N 3.42Å
369L88.6Confident83.2Confident6 Ų626.5 Ų26.53%0.03114%0.14CC..Hα-helixtrans-62.5-41-179.9-171.270.5000112.2Y125 A365 L372 A373 L382 A385 A397 Y400Y125-L369 HydrophobicContact CD2-CB 3.96Å; Y125-L369 HydrophobicContact CD2-CD1 4.31Å; Y125-L369 HydrophobicContact CE1-CD1 4.18Å; Y125-L369 HydrophobicContact CE2-CB 3.71Å; Y125-L369 HydrophobicContact CE2-CD1 3.92Å; Y125-L369 HydrophobicContact CE2-CD2 4Å; Y125-L369 HydrophobicContact CE2-CG 4.1Å; A365-L369 VanDerWaalsContact O-CB 3.27Å; A365-L369 WeakPolarHBondContact O-CB 3.37Å; A365-L369 PolarHBondContact O-N 3.25Å; L369-L372 PolarHBondContact O-N 3.3Å; L369-A373 VanDerWaalsContact O-CB 3.32Å; L369-A373 WeakPolarHBondContact O-CB 3.33Å; L369-A373 PolarHBondContact O-N 3.01Å; L369-L382 HydrophobicContact CD1-CD2 3.41Å; L369-L382 VanDerWaalsContact CD1-CD2 3.41Å; L369-L382 HydrophobicContact CD1-CG 4.31Å; L369-L382 HydrophobicContact CG-CD2 4.06Å; L369-A385 HydrophobicContact CD2-CB 4.27Å; L369-A385 HydrophobicContact CG-CB 4.3Å; L369-A397 HydrophobicContact CB-CB 4.39Å; L369-A397 HydrophobicContact CD2-CB 4.3Å; L369-Y400 HydrophobicContact CD2-CD1 3.68Å; L369-Y400 HydrophobicContact CD2-CG 4.03Å
370H86.7Confident81.9Confident20 Ų2032.3 Ų32.39%0.09318%0.175CC..Hα-helixtrans-62.6-43.7176.7-176.562.9000111.9S366 R367 I368 A373 Q374 A385 K386 V388 P394 A397S366-H370 VanDerWaalsContact O-CB 3.29Å; S366-H370 WeakPolarHBondContact O-CB 3.13Å; S366-H370 PolarHBondContact O-N 2.79Å; R367-H370 PolarHBondContact O-N 2.92Å; I368-H370 VanDerWaalsContact C-N 3.34Å; I368-H370 PolarHBondContact O-N 3.1Å; H370-A373 WeakPolarHBondContact O-CB 3.31Å; H370-A373 PolarHBondContact O-N 3.27Å; H370-Q374 PolarHBondContact NE2-NE2 3.38Å; H370-Q374 WeakPolarHBondContact O-CG 3.42Å; H370-Q374 PolarHBondContact O-N 3.35Å; H370-A385 PolarHBondContact ND1-O 3.41Å; H370-K386 PolarHBondContact CE1-O 3.13Å; H370-V388 WeakPolarHBondContact CE1-CG2 3.22Å; H370-P394 HydrophobicContact CB-CB 3.75Å; H370-P394 HydrophobicContact CB-CG 4.01Å; H370-P394 WeakPolarHBondContact ND1-CB 3.36Å; H370-A397 HydrophobicContact CB-CB 3.89Å
371A81.8Confident81Confident1 Ų137.7 Ų37.71%0.00820%0.203CC..Hα-helixtrans-69.9-39.8179.300000112.1Y105 R367 I368 A373 Q374 D375Y105-A371 HydrophobicContact CD1-CB 3.36Å; Y105-A371 HydrophobicContact CE1-CB 3.81Å; Y105-A371 HydrophobicContact CG-CB 4.44Å; R367-A371 WeakPolarHBondContact O-CB 3.46Å; R367-A371 PolarHBondContact O-N 3.02Å; I368-A371 PolarHBondContact O-N 3.29Å; A371-A373 VanDerWaalsContact C-N 3.29Å; A371-A373 PolarHBondContact O-N 3.18Å; A371-Q374 PolarHBondContact O-N 3.01Å; A371-D375 PolarHBondContact O-N 3.21Å; A371-D375 VanDerWaalsContact O-N 3.17Å
372L83.1Confident80Confident2 Ų238.2 Ų38.21%0.0121%0.205CC..Hα-helixtrans-59-40.3170.1-77.9165000112Y105 I368 L369 D375 L377Y105-L372 HydrophobicContact CD2-CD2 4.16Å; Y105-L372 HydrophobicContact CD2-CG 4.27Å; Y105-L372 HydrophobicContact CE1-CD2 4.31Å; Y105-L372 HydrophobicContact CE1-CG 4.26Å; Y105-L372 HydrophobicContact CE2-CD2 3.38Å; Y105-L372 HydrophobicContact CE2-CG 3.9Å; Y105-L372 VanDerWaalsContact CZ-CD2 3.49Å; I368-L372 HydrophobicContact CG2-CD1 3.76Å; I368-L372 HydrophobicContact CG2-CG 4.39Å; I368-L372 WeakPolarHBondContact O-CB 3.37Å; I368-L372 WeakPolarHBondContact O-CG 3.48Å; I368-L372 PolarHBondContact O-N 3.42Å; L369-L372 PolarHBondContact O-N 3.3Å; L372-D375 PolarHBondContact O-N 3.35Å; L372-L377 HydrophobicContact CD2-CD2 4.2Å
373A83.1Confident78.8Confident2 Ų240.6 Ų40.62%0.01722%0.224CC..Hα-helixtrans-65.1-41.8176.800000111.2L369 H370 A371 D375 D376 L382 A385 K386L369-A373 VanDerWaalsContact O-CB 3.32Å; L369-A373 WeakPolarHBondContact O-CB 3.33Å; L369-A373 PolarHBondContact O-N 3.01Å; H370-A373 WeakPolarHBondContact O-CB 3.31Å; H370-A373 PolarHBondContact O-N 3.27Å; A371-A373 VanDerWaalsContact C-N 3.29Å; A371-A373 PolarHBondContact O-N 3.18Å; A373-D375 PolarHBondContact O-N 3.19Å; A373-D376 PolarHBondContact O-N 3.29Å; A373-D376 VanDerWaalsContact O-N 3.09Å; A373-L382 HydrophobicContact CB-CB 4Å; A373-L382 HydrophobicContact CB-CD2 4.03Å; A373-A385 HydrophobicContact CB-CB 4.04Å; A373-K386 HydrophobicContact CB-CG 3.85Å; A373-K386 WeakPolarHBondContact O-CE 3.45Å
374Q79.6Confident78Confident103 Ų10343.6 Ų43.648%0.48124%0.244SC..Hα-helixtrans-61.9-31.2177-74.7-173.8-3.800113.3H370 A371 D376H370-Q374 PolarHBondContact NE2-NE2 3.38Å; H370-Q374 WeakPolarHBondContact O-CG 3.42Å; H370-Q374 PolarHBondContact O-N 3.35Å; A371-Q374 PolarHBondContact O-N 3.01Å; Q374-D376 PolarHBondContact O-N 3.29Å
375D77.8Confident77.3Confident52 Ų5243.7 Ų43.728%0.27825%0.245SC..THydrogen-bonded Turntrans-79.24.1176.7-69.6-21.5000113.2Y105 A371 L372 A373 L377Y105-D375 VanDerWaalsContact CE1-OD2 3.23Å; Y105-D375 WeakPolarHBondContact CE1-OD2 3.41Å; Y105-D375 PolarHBondContact OH-OD2 3Å; A371-D375 PolarHBondContact O-N 3.21Å; A371-D375 VanDerWaalsContact O-N 3.17Å; L372-D375 PolarHBondContact O-N 3.35Å; A373-D375 PolarHBondContact O-N 3.19Å; D375-L377 PolarHBondContact O-N 3.36Å
376D73.9Confident76.6Confident94 Ų9447.1 Ų47.150%0.50326%0.26SS..THydrogen-bonded Turntrans55.816.3176.1-91.1-53.1000115.9A373 Q374 F378 G379 K386A373-D376 PolarHBondContact O-N 3.29Å; A373-D376 VanDerWaalsContact O-N 3.09Å; Q374-D376 PolarHBondContact O-N 3.29Å; D376-F378 PolarHBondContact O-N 3.13Å; D376-F378 VanDerWaalsContact O-N 3.08Å; D376-G379 PolarHBondContact O-N 3.35Å; D376-K386 IonicContact OD1-NZ 2.9Å; D376-K386 PolarHBondContact OD1-NZ 2.89Å; D376-K386 IonicContact OD2-NZ 3.77Å; D376-K386 PolarHBondContact OD2-NZ 3.06Å
377L67.1Low76Confident80 Ų8050.2 Ų50.242%0.41928%0.279SS..THydrogen-bonded Turntrans-59.2-29.4-172.8-167.864.6000113.7L372 D375L372-L377 HydrophobicContact CD2-CD2 4.2Å; D375-L377 PolarHBondContact O-N 3.36Å
378F66.7Low75.6Confident95 Ų9551.8 Ų51.842%0.41729%0.291SS..THydrogen-bonded Turntrans-121.611.2-178.8-63-73.7000113.8L122 D376 V380 L382L122-F378 HydrophobicContact CD2-CZ 4.44Å; D376-F378 PolarHBondContact O-N 3.13Å; D376-F378 VanDerWaalsContact O-N 3.08Å; F378-V380 PolarHBondContact O-N 3.03Å; F378-L382 HydrophobicContact CB-CD1 3.51Å; F378-L382 HydrophobicContact CD2-CD1 4.09Å; F378-L382 HydrophobicContact CG-CD1 4.04Å
379G64.5Low74.9Confident32 Ų3254.6 Ų54.633%0.3331%0.311SS..THydrogen-bonded Turntrans48.2-99.7171.800000116.2D376 A383D376-G379 PolarHBondContact O-N 3.35Å; G379-A383 PolarHBondContact O-N 3.31Å
380V63Low73.3Confident134 Ų13458.8 Ų58.881%0.81236%0.356SS*.THydrogen-bonded Turntrans-77.8-34.7-164.8-176.90000113.4F378 L382F378-V380 PolarHBondContact O-N 3.03Å; V380-L382 PolarHBondContact O-N 3.23Å
381I69.2Low72.2Confident118 Ų11861.3 Ų61.361%0.60539%0.387SS*.SBendtrans-72.9-31.1-174.3-64.3169.8000111.4
382L71.3Confident71.6Confident19 Ų1963.2 Ų63.210%0.09941%0.407CS..SBendtrans-100.20.6-177.5-85.891.9000114.4L369 A373 F378 V380 P384 A385L369-L382 HydrophobicContact CD1-CD2 3.41Å; L369-L382 VanDerWaalsContact CD1-CD2 3.41Å; L369-L382 HydrophobicContact CD1-CG 4.31Å; L369-L382 HydrophobicContact CG-CD2 4.06Å; A373-L382 HydrophobicContact CB-CB 4Å; A373-L382 HydrophobicContact CB-CD2 4.03Å; F378-L382 HydrophobicContact CB-CD1 3.51Å; F378-L382 HydrophobicContact CD2-CD1 4.09Å; F378-L382 HydrophobicContact CG-CD1 4.04Å; V380-L382 PolarHBondContact O-N 3.23Å; L382-P384 VanDerWaalsContact C-CD 3.45Å; L382-P384 VanDerWaalsContact C-N 3.35Å; L382-A385 VanDerWaalsContact O-CB 3.31Å; L382-A385 WeakPolarHBondContact O-CB 3.09Å; L382-A385 PolarHBondContact O-N 3.18Å
383A66.7Low71.4Confident49 Ų4963.8 Ų63.841%0.40541%0.41SS..G310 helixtrans-49-43.9176.500000114.6G379 A385 K386G379-A383 PolarHBondContact O-N 3.31Å; A383-A385 VanDerWaalsContact C-N 3.27Å; A383-A385 PolarHBondContact O-N 3.09Å; A383-K386 WeakPolarHBondContact O-CB 3.47Å; A383-K386 PolarHBondContact O-N 2.94Å
384P71.9Confident71.4Confident75 Ų7563.7 Ų63.749%0.48741%0.409SS..G310 helixtrans-71-18.3177.326.5-33.4000114L382 K386 V387L382-P384 VanDerWaalsContact C-CD 3.45Å; L382-P384 VanDerWaalsContact C-N 3.35Å; P384-K386 PolarHBondContact O-N 2.82Å; P384-V387 WeakPolarHBondContact O-CG2 3.49Å; P384-V387 PolarHBondContact O-N 2.79Å
385A74.3Confident71.7Confident1 Ų164.2 Ų64.21%0.00841%0.407CS..G310 helixtrans-74.1-13175.700000112.9L369 H370 A373 L382 A383 V387 A397L369-A385 HydrophobicContact CD2-CB 4.27Å; L369-A385 HydrophobicContact CG-CB 4.3Å; H370-A385 PolarHBondContact ND1-O 3.41Å; A373-A385 HydrophobicContact CB-CB 4.04Å; L382-A385 VanDerWaalsContact O-CB 3.31Å; L382-A385 WeakPolarHBondContact O-CB 3.09Å; L382-A385 PolarHBondContact O-N 3.18Å; A383-A385 VanDerWaalsContact C-N 3.27Å; A383-A385 PolarHBondContact O-N 3.09Å; A385-V387 VanDerWaalsContact C-N 3.28Å; A385-V387 PolarHBondContact O-N 3.42Å; A385-A397 HydrophobicContact CB-CB 4.23Å
386K75.6Confident72.1Confident72 Ų7262.2 Ų62.231%0.31340%0.398SS..G310 helixtrans-74.8-15174.1-63.9-177.2175.1-178.70113.4H370 A373 D376 A383 P384 V388H370-K386 PolarHBondContact CE1-O 3.13Å; A373-K386 HydrophobicContact CB-CG 3.85Å; A373-K386 WeakPolarHBondContact O-CE 3.45Å; D376-K386 IonicContact OD1-NZ 2.9Å; D376-K386 PolarHBondContact OD1-NZ 2.89Å; D376-K386 IonicContact OD2-NZ 3.77Å; D376-K386 PolarHBondContact OD2-NZ 3.06Å; A383-K386 WeakPolarHBondContact O-CB 3.47Å; A383-K386 PolarHBondContact O-N 2.94Å; P384-K386 PolarHBondContact O-N 2.82Å; K386-V388 WeakPolarHBondContact O-CG2 3.44Å; K386-V388 PolarHBondContact O-N 3.48Å
387V76.5Confident72.7Confident67 Ų6757.7 Ų57.741%0.40637%0.374SS..  trans-71.6124.4-173.6-1710000110.6P384 A385 W395P384-V387 WeakPolarHBondContact O-CG2 3.49Å; P384-V387 PolarHBondContact O-N 2.79Å; A385-V387 VanDerWaalsContact C-N 3.28Å; A385-V387 PolarHBondContact O-N 3.42Å; V387-W395 HydrophobicContact CG1-CZ2 3.9Å; V387-W395 VanDerWaalsContact CG1-NE1 3.32Å
388V78.7Confident73.8Confident61 Ų6154 Ų5437%0.3736%0.355SS..  trans-113.2142.8179.9-1670000109.6H370 K386 G392H370-V388 WeakPolarHBondContact CE1-CG2 3.22Å; K386-V388 WeakPolarHBondContact O-CG2 3.44Å; K386-V388 PolarHBondContact O-N 3.48Å; V388-G392 WeakPolarHBondContact CG1-O 3.46Å
389S73.9Confident75Confident63 Ų6353.5 Ų53.544%0.44136%0.356SS..  trans-72.7162.5171.7-179.20000110.7G391 G392 N393S389-G391 PolarHBondContact O-N 3.44Å; S389-G392 PolarHBondContact O-N 3Å; S389-N393 PolarHBondContact N-O 2.94Å
390G54.6Low76.2Confident94 Ų9456.6 Ų56.697%0.96936%0.359SS*.THydrogen-bonded Turntrans-55.8-19178.200000114.6
391G62.5Low77.7Confident73 Ų7350.2 Ų50.275%0.75332%0.32SS*.THydrogen-bonded Turntrans-94.513.217400000116.1S389 N393S389-G391 PolarHBondContact O-N 3.44Å; G391-N393 VanDerWaalsContact C-N 3.35Å; G391-N393 PolarHBondContact O-N 2.73Å
392G70.6Confident78.8Confident42 Ų4248.9 Ų48.943%0.43331%0.308SS..SBendtrans81.27.2178.500000115.3V388 S389V388-G392 WeakPolarHBondContact CG1-O 3.46Å; S389-G392 PolarHBondContact O-N 3Å
393N78.9Confident79.9Confident13 Ų1349.3 Ų49.37%0.0732%0.316CS..  trans-88.9124.2177.9-165.744.7000112.1C182 A183 G185 R367 S389 G391 W395C182-N393 PolarHBondContact O-ND2 2.88Å; A183-N393 PolarHBondContact O-ND2 3.49Å; G185-N393 WeakPolarHBondContact CA-ND2 3.18Å; R367-N393 PolarHBondContact NH2-OD1 3.26Å; S389-N393 PolarHBondContact N-O 2.94Å; G391-N393 VanDerWaalsContact C-N 3.35Å; G391-N393 PolarHBondContact O-N 2.73Å; N393-W395 VanDerWaalsContact C-N 3.3Å; N393-W395 PolarHBondContact O-N 3.43Å
394P83.1Confident81.1Confident0 Ų049.1 Ų49.10%031%0.308CS..  trans-79.173.7-179.233.6-36.9000111.8H370 G396 A397 V398H370-P394 HydrophobicContact CB-CB 3.75Å; H370-P394 HydrophobicContact CB-CG 4.01Å; H370-P394 WeakPolarHBondContact ND1-CB 3.36Å; P394-G396 VanDerWaalsContact C-N 3.26Å; P394-G396 PolarHBondContact O-N 3.3Å; P394-A397 HydrophobicContact CB-CB 4.18Å; P394-A397 PolarHBondContact O-N 2.87Å; P394-V398 PolarHBondContact O-N 3.1Å
395W84Confident82.2Confident115 Ų11545.5 Ų45.544%0.43629%0.285SS..Hα-helixtrans-61.9-32.3-176.473-84.3000112.9V387 N393 A397 V398 L399V387-W395 HydrophobicContact CG1-CZ2 3.9Å; V387-W395 VanDerWaalsContact CG1-NE1 3.32Å; N393-W395 VanDerWaalsContact C-N 3.3Å; N393-W395 PolarHBondContact O-N 3.43Å; W395-A397 PolarHBondContact O-N 3.09Å; W395-V398 PolarHBondContact O-N 3.29Å; W395-L399 HydrophobicContact CE3-CD1 3.48Å; W395-L399 VanDerWaalsContact CE3-CD1 3.48Å; W395-L399 HydrophobicContact CE3-CG 4.24Å; W395-L399 HydrophobicContact CZ3-CD1 3.37Å; W395-L399 PolarHBondContact O-N 3.04Å
396G86.3Confident83.2Confident9 Ų947.3 Ų47.39%0.09329%0.293CS..Hα-helixtrans-62.2-42175.700000112.4P394 V398 L399 Y400P394-G396 VanDerWaalsContact C-N 3.26Å; P394-G396 PolarHBondContact O-N 3.3Å; G396-V398 VanDerWaalsContact C-N 3.35Å; G396-L399 PolarHBondContact O-N 2.95Å; G396-Y400 PolarHBondContact O-N 2.8Å; G396-Y400 VanDerWaalsContact O-N 3.08Å
397A88Confident84Confident0 Ų049.5 Ų49.50%031%0.307CS..Hα-helixtrans-69-32.7176.600000112.6S366 L369 H370 A385 P394 W395 S401S366-A397 VanDerWaalsContact O-CB 3.23Å; S366-A397 WeakPolarHBondContact O-CB 3.25Å; L369-A397 HydrophobicContact CB-CB 4.39Å; L369-A397 HydrophobicContact CD2-CB 4.3Å; H370-A397 HydrophobicContact CB-CB 3.89Å; A385-A397 HydrophobicContact CB-CB 4.23Å; P394-A397 HydrophobicContact CB-CB 4.18Å; P394-A397 PolarHBondContact O-N 2.87Å; W395-A397 PolarHBondContact O-N 3.09Å; A397-S401 WeakPolarHBondContact O-CB 3.43Å; A397-S401 PolarHBondContact O-N 3.23Å; A397-S401 PolarHBondContact O-OG 2.86Å
398V90.1Very high84.6Confident1 Ų147.2 Ų47.21%0.00629%0.294CS..Hα-helixtrans-63.6-47.5173.2176.90000110.5C182 A183 P394 W395 G396 Y400 S401 W402C182-V398 HydrophobicContact CB-CG1 3.96Å; A183-V398 HydrophobicContact CB-CG1 4.43Å; P394-V398 PolarHBondContact O-N 3.1Å; W395-V398 PolarHBondContact O-N 3.29Å; G396-V398 VanDerWaalsContact C-N 3.35Å; V398-Y400 PolarHBondContact O-N 2.91Å; V398-S401 PolarHBondContact O-N 2.92Å; V398-W402 VanDerWaalsContact O-CB 3.28Å; V398-W402 WeakPolarHBondContact O-CB 3.37Å; V398-W402 PolarHBondContact O-N 3.22Å
399L91.1Very high85.1Confident86 Ų8644.5 Ų44.545%0.4528%0.277SS..Hα-helixtrans-64.3-40.1179.3-72.5-178.8000112.9W395 G396 W402 G403W395-L399 HydrophobicContact CE3-CD1 3.48Å; W395-L399 VanDerWaalsContact CE3-CD1 3.48Å; W395-L399 HydrophobicContact CE3-CG 4.24Å; W395-L399 HydrophobicContact CZ3-CD1 3.37Å; W395-L399 PolarHBondContact O-N 3.04Å; G396-L399 PolarHBondContact O-N 2.95Å; L399-W402 PolarHBondContact O-N 3.44Å; L399-G403 PolarHBondContact O-N 2.79Å
400Y90.9Very high85.7Confident97 Ų9745.4 Ų45.438%0.3828%0.276SS..Hα-helixtrans-64.2-44.5177.1-158.2-88.3000111.4L369 G396 V398 G403 L404L369-Y400 HydrophobicContact CD2-CD1 3.68Å; L369-Y400 HydrophobicContact CD2-CG 4.03Å; G396-Y400 PolarHBondContact O-N 2.8Å; G396-Y400 VanDerWaalsContact O-N 3.08Å; V398-Y400 PolarHBondContact O-N 2.91Å; Y400-G403 PolarHBondContact O-N 3.44Å; Y400-L404 PolarHBondContact O-N 3.46Å
401S92.6Very high86.9Confident0 Ų044 Ų440%026%0.255CS..Hα-helixtrans-64.2-41.2175.8-53.70000111.6A397 V398 G403 L404 V405A397-S401 WeakPolarHBondContact O-CB 3.43Å; A397-S401 PolarHBondContact O-N 3.23Å; A397-S401 PolarHBondContact O-OG 2.86Å; V398-S401 PolarHBondContact O-N 2.92Å; S401-G403 PolarHBondContact O-N 3.28Å; S401-L404 PolarHBondContact O-N 2.84Å; S401-V405 VanDerWaalsContact O-CG2 3.24Å; S401-V405 WeakPolarHBondContact O-CG2 3.48Å; S401-V405 PolarHBondContact O-N 3.11Å
402W94.1Very high87.1Confident90 Ų9042.1 Ų42.134%0.34124%0.236SC..Hα-helixtrans-58.8-45.7174.617691.2000111.7L175 V398 L399 L404 V405 Q406L175-W402 HydrophobicContact CG-CG 4.41Å; L175-W402 PolarHBondContact O-NE1 2.98Å; V398-W402 VanDerWaalsContact O-CB 3.28Å; V398-W402 WeakPolarHBondContact O-CB 3.37Å; V398-W402 PolarHBondContact O-N 3.22Å; L399-W402 PolarHBondContact O-N 3.44Å; W402-L404 VanDerWaalsContact C-N 3.35Å; W402-L404 PolarHBondContact O-N 2.74Å; W402-V405 PolarHBondContact O-N 3.23Å; W402-Q406 PolarHBondContact O-N 3.21Å
403G93.6Very high87Confident27 Ų2746.9 Ų46.928%0.27825%0.245SC..Hα-helixtrans-61.5-41.1175.700000112.7L399 Y400 S401 Q406 L407L399-G403 PolarHBondContact O-N 2.79Å; Y400-G403 PolarHBondContact O-N 3.44Å; S401-G403 PolarHBondContact O-N 3.28Å; G403-Q406 WeakPolarHBondContact O-CB 3.28Å; G403-Q406 PolarHBondContact O-N 3.23Å; G403-L407 WeakPolarHBondContact O-CG 3.2Å; G403-L407 PolarHBondContact O-N 3.22Å; G403-L407 VanDerWaalsContact O-N 3.09Å
404L92.8Very high86.6Confident45 Ų4547.1 Ų47.124%0.23625%0.246CC..Hα-helixtrans-68.4-40.4177.7-150.5156.2000111.7Y125 V129 Y400 S401 W402 Q406 L407 V408Y125-L404 HydrophobicContact CE1-CD1 3.88Å; V129-L404 HydrophobicContact CB-CD2 4.15Å; V129-L404 HydrophobicContact CG1-CB 4.12Å; V129-L404 HydrophobicContact CG1-CD2 3.27Å; V129-L404 HydrophobicContact CG1-CG 4.23Å; V129-L404 HydrophobicContact CG2-CD2 4.36Å; Y400-L404 PolarHBondContact O-N 3.46Å; S401-L404 PolarHBondContact O-N 2.84Å; W402-L404 VanDerWaalsContact C-N 3.35Å; W402-L404 PolarHBondContact O-N 2.74Å; L404-Q406 VanDerWaalsContact C-N 3.3Å; L404-Q406 PolarHBondContact O-N 3.37Å; L404-L407 WeakPolarHBondContact O-CB 3.36Å; L404-L407 PolarHBondContact O-N 2.99Å; L404-V408 HydrophobicContact CD2-CG2 4.15Å; L404-V408 WeakPolarHBondContact O-CG2 3.49Å; L404-V408 PolarHBondContact O-N 3.03Å
405V94.1Very high85.9Confident0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-60.5-41.1172.8178.70000110.8V129 C132 A133 L136 L175 L362 S401 W402 L407 V408 L409V129-V405 HydrophobicContact CB-CG2 4.27Å; V129-V405 HydrophobicContact CG1-CB 4.35Å; V129-V405 HydrophobicContact CG1-CG2 3.65Å; V129-V405 HydrophobicContact CG2-CG2 4.47Å; C132-V405 HydrophobicContact CB-CG1 4.2Å; C132-V405 HydrophobicContact CB-CG2 3.92Å; A133-V405 HydrophobicContact CB-CG1 4.16Å; L136-V405 HydrophobicContact CD1-CG1 4.32Å; L175-V405 HydrophobicContact CD1-CB 4Å; L175-V405 HydrophobicContact CD1-CG1 3.58Å; L175-V405 HydrophobicContact CD2-CB 4.02Å; L175-V405 HydrophobicContact CD2-CG1 3.81Å; L175-V405 HydrophobicContact CG-CG1 4.33Å; L362-V405 HydrophobicContact CD1-CG2 4.25Å; S401-V405 VanDerWaalsContact O-CG2 3.24Å; S401-V405 WeakPolarHBondContact O-CG2 3.48Å; S401-V405 PolarHBondContact O-N 3.11Å; W402-V405 PolarHBondContact O-N 3.23Å; V405-L407 VanDerWaalsContact C-N 3.31Å; V405-L407 PolarHBondContact O-N 2.99Å; V405-V408 PolarHBondContact O-N 3.17Å; V405-V408 VanDerWaalsContact O-N 3.13Å; V405-L409 HydrophobicContact CG1-CG 4.48Å; V405-L409 WeakPolarHBondContact O-CG 3.28Å; V405-L409 PolarHBondContact O-N 3.4Å
406Q94.6Very high85.4Confident38 Ų3848.9 Ų48.918%0.17827%0.268CS..Hα-helixtrans-60.4-40.1176.1-175.164.537.500111.9S172 L175 W402 G403 L404 L409 L410S172-Q406 PolarHBondContact OG-NE2 3.38Å; S172-Q406 PolarHBondContact OG-OE1 3.49Å; L175-Q406 HydrophobicContact CD2-CB 3.92Å; W402-Q406 PolarHBondContact O-N 3.21Å; G403-Q406 WeakPolarHBondContact O-CB 3.28Å; G403-Q406 PolarHBondContact O-N 3.23Å; L404-Q406 VanDerWaalsContact C-N 3.3Å; L404-Q406 PolarHBondContact O-N 3.37Å; Q406-L409 PolarHBondContact O-N 2.71Å; Q406-L410 PolarHBondContact O-N 2.98Å
407L92Very high85Confident118 Ų11849.4 Ų49.462%0.61827%0.268SS*.Hα-helixtrans-64.6-38.6174-67.1178000112.3G403 L404 V405 L410G403-L407 WeakPolarHBondContact O-CG 3.2Å; G403-L407 PolarHBondContact O-N 3.22Å; G403-L407 VanDerWaalsContact O-N 3.09Å; L404-L407 WeakPolarHBondContact O-CB 3.36Å; L404-L407 PolarHBondContact O-N 2.99Å; V405-L407 VanDerWaalsContact C-N 3.31Å; V405-L407 PolarHBondContact O-N 2.99Å; L407-L410 HydrophobicContact CD2-CD1 4.19Å; L407-L410 WeakPolarHBondContact O-CB 3.13Å; L407-L410 PolarHBondContact O-N 2.97Å
408V90.8Very high84.3Confident19 Ų1949.9 Ų49.912%0.11527%0.272CS..Hα-helixtrans-67.5-37.3175.9177.50000111.4V129 A133 L404 V405 L410 A411 L417V129-V408 HydrophobicContact CG1-CG2 4.06Å; A133-V408 HydrophobicContact CB-CB 4.03Å; A133-V408 HydrophobicContact CB-CG1 3.51Å; L404-V408 HydrophobicContact CD2-CG2 4.15Å; L404-V408 WeakPolarHBondContact O-CG2 3.49Å; L404-V408 PolarHBondContact O-N 3.03Å; V405-V408 PolarHBondContact O-N 3.17Å; V405-V408 VanDerWaalsContact O-N 3.13Å; V408-L410 VanDerWaalsContact C-N 3.26Å; V408-L410 PolarHBondContact O-N 3.36Å; V408-A411 WeakPolarHBondContact O-CB 3.4Å; V408-A411 PolarHBondContact O-N 2.83Å; V408-L417 HydrophobicContact CG1-CD1 3.89Å; V408-L417 HydrophobicContact CG1-CD2 3.58Å; V408-L417 HydrophobicContact CG1-CG 4.37Å
409L89Confident83.7Confident4 Ų452.1 Ų52.12%0.02129%0.29CS..Hα-helixtrans-61.3-34.1174.6-72.8177.6000112.3A133 L136 L137 L168 L175 V405 Q406 A411 G412A133-L409 HydrophobicContact CB-CD2 3.98Å; A133-L409 HydrophobicContact CB-CG 4.33Å; L136-L409 HydrophobicContact CB-CD2 4.4Å; L136-L409 HydrophobicContact CD1-CD1 4.36Å; L137-L409 HydrophobicContact CD1-CD2 4.32Å; L137-L409 HydrophobicContact CD2-CD2 3.85Å; L137-L409 HydrophobicContact CG-CD2 3.72Å; L168-L409 HydrophobicContact CD1-CB 4.2Å; L175-L409 HydrophobicContact CB-CD1 4.25Å; L175-L409 HydrophobicContact CD2-CD1 3.86Å; V405-L409 HydrophobicContact CG1-CG 4.48Å; V405-L409 WeakPolarHBondContact O-CG 3.28Å; V405-L409 PolarHBondContact O-N 3.4Å; Q406-L409 PolarHBondContact O-N 2.71Å; L409-A411 PolarHBondContact O-N 3Å; L409-G412 PolarHBondContact O-N 3.45Å; L409-G412 VanDerWaalsContact O-N 3.1Å
410L86.3Confident83.3Confident82 Ų8250.6 Ų50.643%0.42929%0.285SS..THydrogen-bonded Turntrans-65.2-16.3174.7-68.7169.5000113.7Y164 L168 Q406 L407 V408 G412Y164-L410 PolarHBondContact OH-O 3.45Å; L168-L410 HydrophobicContact CD1-CD2 3.88Å; L168-L410 HydrophobicContact CD1-CG 4.41Å; L168-L410 HydrophobicContact CD2-CD2 3.48Å; L168-L410 VanDerWaalsContact CD2-CD2 3.48Å; L168-L410 HydrophobicContact CG-CD2 4.29Å; Q406-L410 PolarHBondContact O-N 2.98Å; L407-L410 HydrophobicContact CD2-CD1 4.19Å; L407-L410 WeakPolarHBondContact O-CB 3.13Å; L407-L410 PolarHBondContact O-N 2.97Å; V408-L410 VanDerWaalsContact C-N 3.26Å; V408-L410 PolarHBondContact O-N 3.36Å; L410-G412 VanDerWaalsContact C-N 3.34Å
411A79.8Confident83Confident64 Ų6446 Ų4653%0.52927%0.266SS..THydrogen-bonded Turntrans-78-19.5173.900000112.8V408 L409 K413V408-A411 WeakPolarHBondContact O-CB 3.4Å; V408-A411 PolarHBondContact O-N 2.83Å; L409-A411 PolarHBondContact O-N 3Å; A411-K413 VanDerWaalsContact C-N 3.28Å; A411-K413 PolarHBondContact O-N 2.73Å
412G65.3Low82.6Confident34 Ų3446.3 Ų46.335%0.35127%0.269SS..  trans67.7-0.7160.600000119.1L409 L410L409-G412 PolarHBondContact O-N 3.45Å; L409-G412 VanDerWaalsContact O-N 3.1Å; L410-G412 VanDerWaalsContact C-N 3.34Å
413K70.4Confident82.3Confident143 Ų14346.1 Ų46.162%0.62228%0.277SS*.  trans-111.694.7-176.2-67.1-174.6-179.8179.60112.6A411 N415 T416 L417A411-K413 VanDerWaalsContact C-N 3.28Å; A411-K413 PolarHBondContact O-N 2.73Å; K413-N415 PolarHBondContact O-N 3.32Å; K413-T416 PolarHBondContact O-N 2.53Å; K413-L417 VanDerWaalsContact O-CG 3.31Å; K413-L417 WeakPolarHBondContact O-CG 3.25Å; K413-L417 PolarHBondContact O-N 3.04Å
414L69.3Low82.1Confident18 Ų1847.4 Ų47.49%0.09428%0.275CS..Hα-helixtrans-53-51-176.8-170.3160.8000112.6V134 L137 E141 T416 L417 A418V134-L414 HydrophobicContact CG1-CD2 4.4Å; L137-L414 HydrophobicContact CB-CB 4.34Å; L137-L414 HydrophobicContact CB-CD1 3.79Å; L137-L414 HydrophobicContact CB-CG 4.15Å; L137-L414 HydrophobicContact CD1-CB 4.28Å; E141-L414 VanDerWaalsContact CD-CD1 3.45Å; E141-L414 VanDerWaalsContact OE1-CD1 3.25Å; E141-L414 WeakPolarHBondContact OE1-CD1 3.37Å; E141-L414 WeakPolarHBondContact OE2-CD1 3.47Å; L414-T416 PolarHBondContact O-N 2.99Å; L414-L417 PolarHBondContact O-N 3.15Å; L414-A418 WeakPolarHBondContact O-CB 3.47Å; L414-A418 PolarHBondContact O-N 3.07Å
415N68.1Low81.8Confident68 Ų6845.8 Ų45.836%0.36427%0.266SS..Hα-helixtrans-67.1-36.3-174.9-69.4-27.8000113.2T261 K413 A418 A419T261-N415 WeakPolarHBondContact CG2-ND2 3.47Å; K413-N415 PolarHBondContact O-N 3.32Å; N415-A418 PolarHBondContact O-N 2.9Å; N415-A419 PolarHBondContact O-N 3.1Å; N415-A419 VanDerWaalsContact O-N 3.15Å
416T74.9Confident81.5Confident84 Ų8448.4 Ų48.452%0.51528%0.28SS..Hα-helixtrans-65.7-43.5173.5-50.20000110.5K413 L414 A419 V420K413-T416 PolarHBondContact O-N 2.53Å; L414-T416 PolarHBondContact O-N 2.99Å; T416-A419 PolarHBondContact O-N 3.23Å; T416-V420 VanDerWaalsContact O-CG2 3.31Å; T416-V420 WeakPolarHBondContact O-CG2 3.39Å; T416-V420 PolarHBondContact O-N 3.46Å; T416-V420 VanDerWaalsContact O-N 3.07Å
417L78.1Confident81.4Confident19 Ų1950.2 Ų50.210%0.09929%0.294CS..Hα-helixtrans-64.1-41.4177.2-68.2174000111.9V134 L137 V408 K413 L414 A419 V420 V421V134-L417 HydrophobicContact CG2-CB 3.55Å; L137-L417 HydrophobicContact CD1-CD1 3.71Å; V408-L417 HydrophobicContact CG1-CD1 3.89Å; V408-L417 HydrophobicContact CG1-CD2 3.58Å; V408-L417 HydrophobicContact CG1-CG 4.37Å; K413-L417 VanDerWaalsContact O-CG 3.31Å; K413-L417 WeakPolarHBondContact O-CG 3.25Å; K413-L417 PolarHBondContact O-N 3.04Å; L414-L417 PolarHBondContact O-N 3.15Å; L417-A419 VanDerWaalsContact C-N 3.33Å; L417-A419 PolarHBondContact O-N 2.81Å; L417-V420 PolarHBondContact O-N 2.75Å; L417-V421 VanDerWaalsContact O-CG2 3.24Å; L417-V421 WeakPolarHBondContact O-CG2 3.33Å; L417-V421 PolarHBondContact O-N 2.81Å
418A73.1Confident81.2Confident10 Ų1044.6 Ų44.68%0.08326%0.264CS..Hα-helixtrans-61.8-39.9177.800000112.4V134 L414 N415 T422V134-A418 HydrophobicContact CG1-CB 4.26Å; V134-A418 HydrophobicContact CG2-CB 4.45Å; L414-A418 WeakPolarHBondContact O-CB 3.47Å; L414-A418 PolarHBondContact O-N 3.07Å; N415-A418 PolarHBondContact O-N 2.9Å; A418-T422 PolarHBondContact O-N 3.31Å; A418-T422 VanDerWaalsContact O-N 3.09Å; A418-T422 PolarHBondContact O-OG1 3.49Å
419A76.5Confident81.2Confident48 Ų4843.8 Ų43.840%0.39726%0.259SS..Hα-helixtrans-64.4-44.3173.700000111.6N415 T416 L417 T422 V423N415-A419 PolarHBondContact O-N 3.1Å; N415-A419 VanDerWaalsContact O-N 3.15Å; T416-A419 PolarHBondContact O-N 3.23Å; L417-A419 VanDerWaalsContact C-N 3.33Å; L417-A419 PolarHBondContact O-N 2.81Å; A419-T422 WeakPolarHBondContact O-CB 3.45Å; A419-T422 PolarHBondContact O-N 2.88Å; A419-V423 WeakPolarHBondContact O-CG2 3.39Å; A419-V423 PolarHBondContact O-N 2.97Å; A419-V423 VanDerWaalsContact O-N 3.08Å
420V83.3Confident81.3Confident54 Ų5446.3 Ų46.333%0.32728%0.28SS..Hα-helixtrans-62.8-43.8177.9170.30000111.8T416 L417 T422 V423 F424T416-V420 VanDerWaalsContact O-CG2 3.31Å; T416-V420 WeakPolarHBondContact O-CG2 3.39Å; T416-V420 PolarHBondContact O-N 3.46Å; T416-V420 VanDerWaalsContact O-N 3.07Å; L417-V420 PolarHBondContact O-N 2.75Å; V420-T422 VanDerWaalsContact C-N 3.31Å; V420-T422 PolarHBondContact O-N 3.2Å; V420-V423 PolarHBondContact O-N 3.38Å; V420-F424 HydrophobicContact CG1-CD2 3.66Å; V420-F424 HydrophobicContact CG1-CE2 3.31Å; V420-F424 HydrophobicContact CG1-CZ 4.32Å; V420-F424 VanDerWaalsContact O-CD2 3.29Å; V420-F424 WeakPolarHBondContact O-CD2 3.46Å; V420-F424 PolarHBondContact O-N 3.37Å
421V84.6Confident81.5Confident0 Ų043.9 Ų43.90%027%0.272CS..Hα-helixtrans-57.4-45.5175.11710000111.1C130 V134 N276 L417 V423 F424 Y425C130-V421 HydrophobicContact CB-CG2 3.28Å; V134-V421 HydrophobicContact CG2-CG2 4.04Å; N276-V421 WeakPolarHBondContact OD1-CG1 3.3Å; L417-V421 VanDerWaalsContact O-CG2 3.24Å; L417-V421 WeakPolarHBondContact O-CG2 3.33Å; L417-V421 PolarHBondContact O-N 2.81Å; V421-V423 VanDerWaalsContact C-N 3.34Å; V421-V423 PolarHBondContact O-N 2.86Å; V421-F424 PolarHBondContact O-N 2.84Å; V421-Y425 HydrophobicContact CG1-CD2 3.52Å; V421-Y425 HydrophobicContact CG1-CE2 3.54Å; V421-Y425 WeakPolarHBondContact O-CD2 3.22Å; V421-Y425 PolarHBondContact O-N 3.45Å
422T83.4Confident82Confident8 Ų840.8 Ų40.85%0.04925%0.247CC..Hα-helixtrans-59.6-44.8178.8-610000111.5A272 F275 A418 A419 V420 Y425 L426A272-T422 HydrophobicContact CB-CG2 4.45Å; A272-T422 PolarHBondContact O-OG1 2.94Å; F275-T422 HydrophobicContact CD1-CG2 3.73Å; F275-T422 HydrophobicContact CE1-CG2 4.45Å; F275-T422 HydrophobicContact CG-CG2 4.48Å; A418-T422 PolarHBondContact O-N 3.31Å; A418-T422 VanDerWaalsContact O-N 3.09Å; A418-T422 PolarHBondContact O-OG1 3.49Å; A419-T422 WeakPolarHBondContact O-CB 3.45Å; A419-T422 PolarHBondContact O-N 2.88Å; V420-T422 VanDerWaalsContact C-N 3.31Å; V420-T422 PolarHBondContact O-N 3.2Å; T422-Y425 PolarHBondContact O-N 3.38Å; T422-L426 HydrophobicContact CG2-CD1 3.84Å; T422-L426 HydrophobicContact CG2-CG 4.41Å; T422-L426 WeakPolarHBondContact O-CB 3.34Å; T422-L426 WeakPolarHBondContact O-CG 3.2Å; T422-L426 PolarHBondContact O-N 3.21Å
423V88Confident83.3Confident86 Ų8640.9 Ų40.952%0.52124%0.239SC..Hα-helixtrans-61.7-47.6177.4173.70000110.9A419 V420 V421 Y425 L426 V427A419-V423 WeakPolarHBondContact O-CG2 3.39Å; A419-V423 PolarHBondContact O-N 2.97Å; A419-V423 VanDerWaalsContact O-N 3.08Å; V420-V423 PolarHBondContact O-N 3.38Å; V421-V423 VanDerWaalsContact C-N 3.34Å; V421-V423 PolarHBondContact O-N 2.86Å; V423-Y425 PolarHBondContact O-N 2.67Å; V423-L426 PolarHBondContact O-N 2.83Å; V423-V427 HydrophobicContact CG1-CG2 4.33Å; V423-V427 WeakPolarHBondContact O-CB 3.48Å; V423-V427 VanDerWaalsContact O-CG2 3.29Å; V423-V427 WeakPolarHBondContact O-CG2 3.3Å; V423-V427 PolarHBondContact O-N 3.27Å
424F89.1Confident84.2Confident54 Ų5439.6 Ų39.624%0.23724%0.239CC..Hα-helixtrans-62.5-42.3179-73.6-55.5000112.6M123 L126 A127 V420 V421 A428M123-F424 HydrophobicContact SD-CD1 3.91Å; M123-F424 HydrophobicContact SD-CE1 4.12Å; L126-F424 HydrophobicContact CB-CD2 4.43Å; L126-F424 HydrophobicContact CB-CE2 4.36Å; L126-F424 HydrophobicContact CB-CZ 4.45Å; L126-F424 HydrophobicContact CD1-CE1 4.19Å; L126-F424 HydrophobicContact CD1-CZ 4.21Å; A127-F424 HydrophobicContact CB-CB 3.79Å; V420-F424 HydrophobicContact CG1-CD2 3.66Å; V420-F424 HydrophobicContact CG1-CE2 3.31Å; V420-F424 HydrophobicContact CG1-CZ 4.32Å; V420-F424 VanDerWaalsContact O-CD2 3.29Å; V420-F424 WeakPolarHBondContact O-CD2 3.46Å; V420-F424 PolarHBondContact O-N 3.37Å; V421-F424 PolarHBondContact O-N 2.84Å; F424-A428 WeakPolarHBondContact O-CB 3.47Å; F424-A428 PolarHBondContact O-N 2.93Å
425Y86.8Confident85.1Confident10 Ų1039.5 Ų39.54%0.03924%0.239CC..Hα-helixtrans-64.7-44.4176-85.4-58.6000112.5F124 A127 N128 T279 V421 T422 V423 V427 A428 Y429F124-Y425 HydrophobicContact CD1-CD1 4.24Å; F124-Y425 HydrophobicContact CD1-CE1 4.23Å; F124-Y425 HydrophobicContact CE1-CD1 4.19Å; A127-Y425 HydrophobicContact CB-CD1 3.91Å; A127-Y425 HydrophobicContact CB-CD2 4.03Å; A127-Y425 HydrophobicContact CB-CE1 3.8Å; A127-Y425 HydrophobicContact CB-CE2 3.94Å; A127-Y425 HydrophobicContact CB-CG 4.01Å; N128-Y425 PolarHBondContact OD1-OH 3.45Å; T279-Y425 HydrophobicContact CG2-CD2 4.06Å; T279-Y425 HydrophobicContact CG2-CG 4.15Å; V421-Y425 HydrophobicContact CG1-CD2 3.52Å; V421-Y425 HydrophobicContact CG1-CE2 3.54Å; V421-Y425 WeakPolarHBondContact O-CD2 3.22Å; V421-Y425 PolarHBondContact O-N 3.45Å; T422-Y425 PolarHBondContact O-N 3.38Å; V423-Y425 PolarHBondContact O-N 2.67Å; Y425-V427 PolarHBondContact O-N 2.87Å; Y425-A428 PolarHBondContact O-N 2.9Å; Y425-Y429 HydrophobicContact CD1-CE1 4.11Å; Y425-Y429 HydrophobicContact CD1-CE2 4.42Å; Y425-Y429 AromaticContact CD1-CZ 3.78Å; Y425-Y429 WeakPolarHBondContact O-CB 3.34Å; Y425-Y429 WeakPolarHBondContact O-CD2 3.3Å; Y425-Y429 PolarHBondContact O-N 3.46Å
426L89.1Confident86Confident56 Ų5636.8 Ų36.829%0.29323%0.225SC..Hα-helixtrans-61.8-44.7178.3-77.8171.2000112I82 F275 T422 V423 A428 Y429 A430I82-L426 HydrophobicContact CG2-CD2 4.42Å; F275-L426 HydrophobicContact CD1-CD2 4.29Å; F275-L426 HydrophobicContact CD1-CG 4.21Å; F275-L426 HydrophobicContact CE1-CD1 4.4Å; F275-L426 HydrophobicContact CE1-CD2 3.53Å; F275-L426 HydrophobicContact CE1-CG 3.59Å; F275-L426 HydrophobicContact CE2-CD2 3.82Å; F275-L426 HydrophobicContact CZ-CD2 3.26Å; F275-L426 HydrophobicContact CZ-CG 3.9Å; T422-L426 HydrophobicContact CG2-CD1 3.84Å; T422-L426 HydrophobicContact CG2-CG 4.41Å; T422-L426 WeakPolarHBondContact O-CB 3.34Å; T422-L426 WeakPolarHBondContact O-CG 3.2Å; T422-L426 PolarHBondContact O-N 3.21Å; V423-L426 PolarHBondContact O-N 2.83Å; L426-A428 VanDerWaalsContact C-N 3.35Å; L426-Y429 PolarHBondContact O-N 2.98Å; L426-A430 VanDerWaalsContact O-CB 3.26Å; L426-A430 WeakPolarHBondContact O-CB 3.31Å; L426-A430 PolarHBondContact O-N 3.38Å
427V90.8Very high86.7Confident76 Ų7637.9 Ų37.946%0.46123%0.228SC..Hα-helixtrans-64.2-42.5177.1172.30000110.6V423 Y425 A430 A431V423-V427 HydrophobicContact CG1-CG2 4.33Å; V423-V427 WeakPolarHBondContact O-CB 3.48Å; V423-V427 VanDerWaalsContact O-CG2 3.29Å; V423-V427 WeakPolarHBondContact O-CG2 3.3Å; V423-V427 PolarHBondContact O-N 3.27Å; Y425-V427 PolarHBondContact O-N 2.87Å; V427-A430 PolarHBondContact O-N 3.29Å; V427-A431 VanDerWaalsContact O-CB 3.28Å; V427-A431 WeakPolarHBondContact O-CB 3.49Å; V427-A431 PolarHBondContact O-N 2.91Å
428A89Confident87.1Confident0 Ų039.9 Ų39.90%024%0.243CC..Hα-helixtrans-67.2-40179.400000112.2M123 F124 F424 Y425 L426 A431 V432M123-A428 HydrophobicContact CB-CB 3.96Å; F124-A428 HydrophobicContact CD1-CB 3.71Å; F124-A428 HydrophobicContact CD2-CB 4.04Å; F124-A428 HydrophobicContact CE1-CB 3.34Å; F124-A428 HydrophobicContact CE2-CB 3.72Å; F124-A428 HydrophobicContact CG-CB 4.01Å; F124-A428 HydrophobicContact CZ-CB 3.32Å; F424-A428 WeakPolarHBondContact O-CB 3.47Å; F424-A428 PolarHBondContact O-N 2.93Å; Y425-A428 PolarHBondContact O-N 2.9Å; L426-A428 VanDerWaalsContact C-N 3.35Å; A428-A431 PolarHBondContact O-N 3.27Å; A428-V432 WeakPolarHBondContact O-CG2 3.33Å; A428-V432 PolarHBondContact O-N 3.3Å
429Y90.8Very high87.6Confident1 Ų140.8 Ų40.80%0.00425%0.246CC..Hα-helixtrans-64.9-48173.9-66.1-20.1000111.8L83 T86 F124 F275 T279 G280 I281 M282 Y425 L426 A431 V432 D433L83-Y429 HydrophobicContact CD2-CD2 4.39Å; L83-Y429 HydrophobicContact CD2-CE2 3.81Å; T86-Y429 HydrophobicContact CG2-CD1 3.68Å; T86-Y429 HydrophobicContact CG2-CE1 4.44Å; T86-Y429 HydrophobicContact CG2-CG 3.91Å; F124-Y429 AromaticContact CE1-CD1 3.72Å; F124-Y429 HydrophobicContact CE1-CD1 3.72Å; F124-Y429 AromaticContact CE1-CE1 3.57Å; F124-Y429 HydrophobicContact CE1-CE1 3.57Å; F124-Y429 AromaticContact CZ-CD1 3.77Å; F124-Y429 HydrophobicContact CZ-CD1 3.77Å; F124-Y429 HydrophobicContact CZ-CE1 4.03Å; F275-Y429 HydrophobicContact CZ-CD2 4.12Å; F275-Y429 HydrophobicContact CZ-CE2 4.15Å; T279-Y429 HydrophobicContact CG2-CE2 4.3Å; G280-Y429 PolarHBondContact N-OH 3.37Å; I281-Y429 HydrophobicContact CD1-CE1 4.07Å; I281-Y429 HydrophobicContact CG1-CE1 4.04Å; M282-Y429 HydrophobicContact CE-CD1 4.15Å; M282-Y429 HydrophobicContact CE-CE1 4.07Å; Y425-Y429 HydrophobicContact CD1-CE1 4.11Å; Y425-Y429 HydrophobicContact CD1-CE2 4.42Å; Y425-Y429 AromaticContact CD1-CZ 3.78Å; Y425-Y429 WeakPolarHBondContact O-CB 3.34Å; Y425-Y429 WeakPolarHBondContact O-CD2 3.3Å; Y425-Y429 PolarHBondContact O-N 3.46Å; L426-Y429 PolarHBondContact O-N 2.98Å; Y429-A431 VanDerWaalsContact C-N 3.27Å; Y429-A431 PolarHBondContact O-N 3.07Å; Y429-V432 PolarHBondContact O-N 3.5Å; Y429-V432 VanDerWaalsContact O-N 3.14Å; Y429-D433 PolarHBondContact O-N 2.99Å
430A91.6Very high88Confident57 Ų5745 Ų4547%0.47126%0.258SS..Hα-helixtrans-58.9-39175.700000112.1L426 V427 D433 L434L426-A430 VanDerWaalsContact O-CB 3.26Å; L426-A430 WeakPolarHBondContact O-CB 3.31Å; L426-A430 PolarHBondContact O-N 3.38Å; V427-A430 PolarHBondContact O-N 3.29Å; A430-D433 PolarHBondContact O-N 3.44Å; A430-L434 VanDerWaalsContact O-CB 3.22Å; A430-L434 WeakPolarHBondContact O-CB 3.35Å; A430-L434 PolarHBondContact O-N 2.88Å
431A90.8Very high88.2Confident31 Ų3153 Ų5326%0.25628%0.283SS..Hα-helixtrans-66.9-39.8176.900000112.3I120 V427 A428 Y429 S435I120-A431 HydrophobicContact CD1-CB 4.07Å; I120-A431 HydrophobicContact CG1-CB 3.78Å; V427-A431 VanDerWaalsContact O-CB 3.28Å; V427-A431 WeakPolarHBondContact O-CB 3.49Å; V427-A431 PolarHBondContact O-N 2.91Å; A428-A431 PolarHBondContact O-N 3.27Å; Y429-A431 VanDerWaalsContact C-N 3.27Å; Y429-A431 PolarHBondContact O-N 3.07Å; A431-S435 VanDerWaalsContact O-CB 3.24Å; A431-S435 WeakPolarHBondContact O-CB 3.21Å; A431-S435 PolarHBondContact O-N 3.5Å; A431-S435 PolarHBondContact O-OG 3.02Å
432V89.8Confident88.3Confident0 Ų056.7 Ų56.70%031%0.313CS..Hα-helixtrans-63.1-47.1174.1169.70000110.9V90 I93 I108 I120 F124 M282 A428 Y429 S435 C436V90-V432 HydrophobicContact CG2-CG1 4.19Å; I93-V432 HydrophobicContact CD1-CG1 3.98Å; I108-V432 HydrophobicContact CD1-CG2 4.12Å; I120-V432 HydrophobicContact CD1-CG2 4.4Å; I120-V432 HydrophobicContact CG2-CG2 3.74Å; F124-V432 HydrophobicContact CE2-CG2 3.78Å; F124-V432 HydrophobicContact CZ-CG2 4.1Å; M282-V432 HydrophobicContact CE-CG2 4.3Å; A428-V432 WeakPolarHBondContact O-CG2 3.33Å; A428-V432 PolarHBondContact O-N 3.3Å; Y429-V432 PolarHBondContact O-N 3.5Å; Y429-V432 VanDerWaalsContact O-N 3.14Å; V432-S435 PolarHBondContact O-N 3.39Å; V432-C436 PolarHBondContact O-N 2.83Å
433D91.8Very high88.3Confident35 Ų3561 Ų6119%0.18734%0.343CS..Hα-helixtrans-64.8-46.1-178.7-69.8-27.9000112T86 S89 Y429 A430 S435 C436 L437T86-D433 WeakPolarHBondContact CA-OD1 3.46Å; T86-D433 PolarHBondContact OG1-OD2 3.39Å; S89-D433 WeakPolarHBondContact CB-OD1 3.12Å; S89-D433 PolarHBondContact OG-OD1 3.14Å; Y429-D433 PolarHBondContact O-N 2.99Å; A430-D433 PolarHBondContact O-N 3.44Å; D433-S435 VanDerWaalsContact C-N 3.28Å; D433-S435 PolarHBondContact O-N 3.07Å; D433-C436 PolarHBondContact O-N 3.03Å; D433-L437 WeakPolarHBondContact O-CB 3.12Å; D433-L437 PolarHBondContact O-N 2.91Å
434L90.3Very high87.7Confident117 Ų11758.1 Ų58.161%0.61333%0.328SS*.Hα-helixtrans-64.8-34.4177.6-172.666.4000112A430 S438A430-L434 VanDerWaalsContact O-CB 3.22Å; A430-L434 WeakPolarHBondContact O-CB 3.35Å; A430-L434 PolarHBondContact O-N 2.88Å; L434-S438 VanDerWaalsContact O-CB 3.31Å; L434-S438 WeakPolarHBondContact O-CB 3.48Å; L434-S438 PolarHBondContact O-N 2.88Å; L434-S438 PolarHBondContact O-OG 2.98Å
435S87.7Confident86.8Confident15 Ų1561.7 Ų61.711%0.10536%0.357CS..Hα-helixtrans-71.1-39.1177.1-57.90000112.1V116 A431 V432 D433 S438 L439V116-S435 WeakPolarHBondContact CG1-OG 3.48Å; A431-S435 VanDerWaalsContact O-CB 3.24Å; A431-S435 WeakPolarHBondContact O-CB 3.21Å; A431-S435 PolarHBondContact O-N 3.5Å; A431-S435 PolarHBondContact O-OG 3.02Å; V432-S435 PolarHBondContact O-N 3.39Å; D433-S435 VanDerWaalsContact C-N 3.28Å; D433-S435 PolarHBondContact O-N 3.07Å; S435-S438 WeakPolarHBondContact CA-OG 3.39Å; S435-S438 PolarHBondContact O-N 3.11Å; S435-S438 PolarHBondContact O-OG 3.31Å; S435-L439 WeakPolarHBondContact O-CG 3.08Å; S435-L439 PolarHBondContact O-N 2.9Å; S435-L439 VanDerWaalsContact O-N 3.1Å
436C87.1Confident85.8Confident11 Ų1168.1 Ų68.17%0.07439%0.392CS..Hα-helixtrans-62.2-46.2173.6-167.40000110.7V432 D433 S438 L439 E440 F447V432-C436 PolarHBondContact O-N 2.83Å; D433-C436 PolarHBondContact O-N 3.03Å; C436-S438 PolarHBondContact O-N 3.02Å; C436-L439 PolarHBondContact O-N 3.12Å; C436-E440 PolarHBondContact O-N 3.12Å; C436-F447 VanDerWaalsContact SG-CZ 3.6Å
437L89.4Confident84.7Confident108 Ų10868.8 Ų68.857%0.56539%0.393SS*.Hα-helixtrans-61.5-43.4177.4-178.866.9000112.3D433 E440 W441D433-L437 WeakPolarHBondContact O-CB 3.12Å; D433-L437 PolarHBondContact O-N 2.91Å; L437-E440 PolarHBondContact O-N 3.3Å; L437-W441 WeakPolarHBondContact O-CB 3.37Å; L437-W441 PolarHBondContact O-N 3.06Å
438S86.1Confident84.4Confident60 Ų6068.5 Ų68.542%0.4239%0.389SS..Hα-helixtrans-68.4-37.1-177.5690000112.5L434 S435 C436 W441 A442L434-S438 VanDerWaalsContact O-CB 3.31Å; L434-S438 WeakPolarHBondContact O-CB 3.48Å; L434-S438 PolarHBondContact O-N 2.88Å; L434-S438 PolarHBondContact O-OG 2.98Å; S435-S438 WeakPolarHBondContact CA-OG 3.39Å; S435-S438 PolarHBondContact O-N 3.11Å; S435-S438 PolarHBondContact O-OG 3.31Å; C436-S438 PolarHBondContact O-N 3.02Å; S438-W441 PolarHBondContact O-N 3.24Å; S438-A442 WeakPolarHBondContact O-CB 3.37Å; S438-A442 PolarHBondContact O-N 3.09Å
439L84.1Confident84.2Confident30 Ų3072.1 Ų72.116%0.15741%0.41CS..Hα-helixtrans-65.5-42.5176-74.3-178.9000112.4L112 S435 C436 A442 S443 A444 F447L112-L439 HydrophobicContact CD2-CD1 3.25Å; L112-L439 HydrophobicContact CD2-CG 4.17Å; S435-L439 WeakPolarHBondContact O-CG 3.08Å; S435-L439 PolarHBondContact O-N 2.9Å; S435-L439 VanDerWaalsContact O-N 3.1Å; C436-L439 PolarHBondContact O-N 3.12Å; L439-A442 PolarHBondContact O-N 3.14Å; L439-S443 PolarHBondContact O-N 3Å; L439-S443 VanDerWaalsContact O-N 3.11Å; L439-A444 HydrophobicContact CD2-CB 3.86Å; L439-A444 PolarHBondContact O-N 2.88Å; L439-A444 VanDerWaalsContact O-N 3.13Å; L439-F447 HydrophobicContact CB-CB 4.01Å; L439-F447 HydrophobicContact CB-CD1 3.62Å; L439-F447 HydrophobicContact CB-CD2 4.3Å; L439-F447 HydrophobicContact CB-CE1 4.15Å; L439-F447 HydrophobicContact CB-CG 3.7Å; L439-F447 HydrophobicContact CD1-CB 4.19Å; L439-F447 HydrophobicContact CD1-CD1 4.3Å; L439-F447 HydrophobicContact CD1-CD2 3.48Å; L439-F447 VanDerWaalsContact CD1-CD2 3.48Å; L439-F447 HydrophobicContact CD1-CE2 3.85Å; L439-F447 HydrophobicContact CD1-CG 3.72Å; L439-F447 HydrophobicContact CD1-CZ 4.4Å; L439-F447 HydrophobicContact CG-CG 4.35Å
440E84.9Confident83.8Confident137 Ų13776 Ų7664%0.6443%0.432SS*.Hα-helixtrans-68-40.6178-168.5148.1177.400111.2C436 L437 A442 S443C436-E440 PolarHBondContact O-N 3.12Å; L437-E440 PolarHBondContact O-N 3.3Å; E440-A442 VanDerWaalsContact C-N 3.35Å; E440-A442 PolarHBondContact O-N 3.03Å; E440-S443 PolarHBondContact O-N 2.79Å; E440-S443 VanDerWaalsContact O-N 3.09Å
441W87.8Confident83.4Confident222 Ų22277.1 Ų77.184%0.84143%0.43SS*.Hα-helixtrans-68.4-34.6177.4-158.69.4000113L437 S438 S443L437-W441 WeakPolarHBondContact O-CB 3.37Å; L437-W441 PolarHBondContact O-N 3.06Å; S438-W441 PolarHBondContact O-N 3.24Å; W441-S443 PolarHBondContact O-N 3.22Å
442A86.6Confident82.9Confident77 Ų7780 Ų8064%0.63644%0.441SS*.THydrogen-bonded Turntrans-76.5-6.8173.800000113.2S438 L439 E440 A444S438-A442 WeakPolarHBondContact O-CB 3.37Å; S438-A442 PolarHBondContact O-N 3.09Å; L439-A442 PolarHBondContact O-N 3.14Å; E440-A442 VanDerWaalsContact C-N 3.35Å; E440-A442 PolarHBondContact O-N 3.03Å; A442-A444 PolarHBondContact O-N 3.24Å
443S82.6Confident82.4Confident99 Ų9985.3 Ų85.369%0.69247%0.47SS*.THydrogen-bonded Turntrans48.247.8-173.8-58.90000111.6L439 E440 W441L439-S443 PolarHBondContact O-N 3Å; L439-S443 VanDerWaalsContact O-N 3.11Å; E440-S443 PolarHBondContact O-N 2.79Å; E440-S443 VanDerWaalsContact O-N 3.09Å; W441-S443 PolarHBondContact O-N 3.22Å
444A76.4Confident81.8Confident24 Ų2488.9 Ų88.920%0.19849%0.491CS..  trans-58131.7-176.400000110L439 A442 N446 F447L439-A444 HydrophobicContact CD2-CB 3.86Å; L439-A444 PolarHBondContact O-N 2.88Å; L439-A444 VanDerWaalsContact O-N 3.13Å; A442-A444 PolarHBondContact O-N 3.24Å; A444-N446 PolarHBondContact O-N 3.24Å; A444-F447 HydrophobicContact CB-CB 4.1Å; A444-F447 PolarHBondContact O-N 3.32Å
445P68.9Low81.1Confident130 Ų13086.8 Ų86.884%0.84448%0.481SS*.THydrogen-bonded Turntrans-64.4-11.8-170.123-33.4000114.8
446N67.1Low80.6Confident145 Ų14592.8 Ų92.878%0.77551%0.513SS*.THydrogen-bonded Turntrans-112.57.6179.4-59.4-27.3000112.7A444A444-N446 PolarHBondContact O-N 3.24Å
447F66.1Low80Confident70 Ų70100.2 Ų100.231%0.30755%0.552SS.*  trans-120.50-179.5-159.2-100.5000112.3I93 N96 C436 L439 A444I93-F447 HydrophobicContact CG1-CE2 4.22Å; I93-F447 HydrophobicContact CG1-CZ 4.39Å; N96-F447 VanDerWaalsContact ND2-CA 3.29Å; N96-F447 WeakPolarHBondContact ND2-CA 3.22Å; N96-F447 VanDerWaalsContact ND2-CD2 3.25Å; N96-F447 WeakPolarHBondContact ND2-CD2 3.46Å; N96-F447 PolarHBondContact ND2-OXT 3.21Å; C436-F447 VanDerWaalsContact SG-CZ 3.6Å; L439-F447 HydrophobicContact CB-CB 4.01Å; L439-F447 HydrophobicContact CB-CD1 3.62Å; L439-F447 HydrophobicContact CB-CD2 4.3Å; L439-F447 HydrophobicContact CB-CE1 4.15Å; L439-F447 HydrophobicContact CB-CG 3.7Å; L439-F447 HydrophobicContact CD1-CB 4.19Å; L439-F447 HydrophobicContact CD1-CD1 4.3Å; L439-F447 HydrophobicContact CD1-CD2 3.48Å; L439-F447 VanDerWaalsContact CD1-CD2 3.48Å; L439-F447 HydrophobicContact CD1-CE2 3.85Å; L439-F447 HydrophobicContact CD1-CG 3.72Å; L439-F447 HydrophobicContact CD1-CZ 4.4Å; L439-F447 HydrophobicContact CG-CG 4.35Å; A444-F447 HydrophobicContact CB-CB 4.1Å; A444-F447 PolarHBondContact O-N 3.32Å

Retrieved 447 of 447 residues in 190.6 ms (Link to these results)