A0A077Z183_TRITR Loading...

Ank 2 and KN motif domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z183, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,694 aa.

>A0A077Z183_TRITR|A0A077Z183
MEQPRKTTKCYCCPYGYHIDLDFVKYAENNNSTCRLYSTNLRHPLSLQHARRRSKNLSKYHSTKQTSWRKPGSQEGYCQTRQVDKYDWTKAENFHRRLMSPNELAADSSISSCIFSDSLENLVSDFEETLSRSSGTLPRGAVVSRNDKDYCSDNELEAFRRNGSFRTPAIKASSGRTEGYTSDCAYLPTKAYGSACIDKYRNAGRATAGPPPLSTLTESKTSAEALRSINGGETRPSLSSIKSVSTKSHSGKEAPSRLAGGASMPVFLNLSGEVATDLHNLSNSMRSSESPVSLTSDSCLATSDASNLGQEVSKSVSELLEAVHRHMKHSLNHIEHLENRIRLSPRMTYEMCRIKDEKESLARQWNAAASKELSSRRKGFSSKAADHFKNSVRRGHGKIPSSTSLMDETSCKVPCGVRISEVEDFAGKMRKQNSTSLSSAYAAREHSRSGRSFSSGSADLGCSLKSDGVTESLNLNSFPSIRRLSSGSSTPVSNGRRRFGKVVNYTSDSEIASRSADCAASLRRSKHLLRYPHNDLGNFSNSTVPQCDENIPIAKLDCQIWNGAKLETPSNVPNRRESGQQFEKTLARDIPSPPFQAPISATVSQSITGRHTTNEQAKQDVRPHAVKWDEEKLEPPTHQVAIHSLRLDSELVEAKVVRSEGQSLNSPVENVNDERLCSFCQKSTSLLLSPFCNTTIEAGISELASIEPNRTEVSTTDHATETDNCLCLVCVKLRAKSLVTRAVSTDAVVKVDAGTRMPLVEHTAIQKLDKIVETENLTVVVASKDCAMETECVQVQCAEVNTENPDYSCVEVCTDTVCVADASSEVDKAFLLASGYWKHANVSTEAPLKNSIGFNTDPCKTLDEVETMDCSTSTDCQARENLPGPSCLLQSTAIQTCTEFVDKSCSTNFVAHSCSGTDTKDLITKTNATTNTEEKQISKISIATNTISNITTSKSVCVGTCHEDTPVDSRRRTAETNTDRPTLLDSSSMTEQTVMFSKAVATSLKTREFAALTKVKTMTIGTSTNADPFSESILPEVTDSTFDTDRKKFRLSALTSPLSWKRRNALGGSEKLPTGRSFDSSPASPVANSEDEHSVSKEQLVEDNILPLELNAELIPMEMNPRREEEEEEVSNRLFSLEESQYSDDSALDDDDTEPSSSQGARSPTHKFDITKPRPTRAFHLSKAAAVKKLLTIDKSNRANNSFANGYFRRSTTASSSVRVAKNKGDHLAFIESKCSGKDKQRNDRQPVAPVRGAKGRPEVKKLTSNDDPSSSKKGKAPSAGQQQSSKPTIQSDAQNNGQDEAQPLRAPGKRADKRKFHSVNRQGTVAVSDSETSDTERPNSANDDQNHKRPKAANDLIRRSSQRETLEEALRLLEESSEVTADSVDELQEWARHYVRHTWLKAAARRTADAAQVEKFLKLVETRGQQLLKMVVNISDENDNSALHYSVSHGNFDVVSLLLDCKQCEVDKPNKAGYTPAMLAALSADLTDTNRVVMQRLFQMANVNIRTKQTEGMAVLIFFWISQLNSLYVLQHGQTAIMLAASHGKMDAVTMLIENGADVNLQDEDGSTALMCAAEHGHKEIVRLLLDLPQIDASMVDQEGSTALAIAVENGYKDIGLLIYAHLNHDHSSLPVSNDQQKLGCLRCSFREQEITCSIKYPIEMCFLAMTKSQHWVTKLSDIADVPTKTNSSQEVV
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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
1M25.5Very low35Very low245 Ų245162.8 Ų162.8100%1.20778%0.78SS**  0155.80-78.2-173.216900108.7
2E26.9Very low35.8Very low171 Ų171156.7 Ų156.780%0.79977%0.765SS**  trans-107.5161.1-146.2-66.2153.292.800116
3Q26.3Very low35.9Very low167 Ų167148.1 Ų148.178%0.7873%0.73SS**  trans61.9123.7159-68.9176.532.400119.1
4P32Very low36.6Very low121 Ų121146.6 Ų146.679%0.78674%0.737SS**  trans-74134.6173.631.6-33.8000111.1K6P4-K6 PolarHBondContact O-N 3.08Å
5R31.8Very low37.2Very low248 Ų248150.1 Ų150.194%0.93674%0.74SS**  trans-75.8107176.8-67.6-176.3178.2-174.1-0.8110.3
6K36.3Very low37.3Very low173 Ų173142 Ų14275%0.75271%0.706SS**  trans-55.5139.8176-68.8-171.1171.6-167.70111.6P4 T8P4-K6 PolarHBondContact O-N 3.08Å; K6-T8 PolarHBondContact O-N 3.45Å
7T39Very low37.9Very low130 Ų130143.6 Ų143.680%0.79870%0.704SS**  trans-78.399.9-165.250.80000113.4K9T7-K9 PolarHBondContact O-N 3.31Å
8T43.2Very low37.9Very low139 Ų139143.1 Ų143.185%0.85370%0.699SS**  trans-77.7103173.3530000111.5K6K6-T8 PolarHBondContact O-N 3.45Å
9K37.5Very low38.4Very low142 Ų142142.3 Ų142.362%0.61770%0.697SS**  trans-61.4136.2169.7-67.4177.3178.7175.30110.3T7T7-K9 PolarHBondContact O-N 3.31Å
10C41.7Very low38.8Very low19 Ų19140.2 Ų140.213%0.12869%0.689CS.*  trans-86.8118179.11480000110.4C12 C13 G16 H18C10-C12 WeakPolarHBondContact CB-SG 3.46Å; C10-C12 PolarHBondContact O-N 3.21Å; C10-C12 VanDerWaalsContact O-N 3.11Å; C10-C12 WeakPolarHBondContact SG-CA 3.36Å; C10-C12 WeakPolarHBondContact SG-CB 3.22Å; C10-C12 PolarHBondContact SG-N 3.17Å; C10-C12 CovalentContact SG-SG 2.04Å; C10-C12 PolarHBondContact SG-SG 3.16Å; C10-C13 PolarHBondContact SG-N 3.38Å; C10-C13 VanDerWaalsContact SG-N 3.45Å; C10-G16 PolarHBondContact N-O 2.69Å; C10-H18 VanDerWaalsContact SG-CE1 3.58Å; C10-H18 PolarHBondContact SG-NE2 3.18Å
11Y44.8Very low39.1Very low236 Ų236139.6 Ų139.693%0.92569%0.688SS**THydrogen-bonded Turntrans-73.78.4172.5-61.9-77.5000113.7
12C44.9Very low40.1Very low89 Ų89132.4 Ų132.460%0.60166%0.655SS**THydrogen-bonded Turntrans-102.1-11.9-171.923.50000113.6C10C10-C12 WeakPolarHBondContact CB-SG 3.46Å; C10-C12 PolarHBondContact O-N 3.21Å; C10-C12 VanDerWaalsContact O-N 3.11Å; C10-C12 WeakPolarHBondContact SG-CA 3.36Å; C10-C12 WeakPolarHBondContact SG-CB 3.22Å; C10-C12 PolarHBondContact SG-N 3.17Å; C10-C12 CovalentContact SG-SG 2.04Å; C10-C12 PolarHBondContact SG-SG 3.16Å
13C36.8Very low41Very low45 Ų45130.4 Ų130.430%0.30464%0.644SS.*SBendtrans-129.2139.3174-70.30000109.7C10 Y15 G16C10-C13 PolarHBondContact SG-N 3.38Å; C10-C13 VanDerWaalsContact SG-N 3.45Å; C13-Y15 PolarHBondContact O-N 3.09Å; C13-G16 PolarHBondContact O-N 3.13Å
14P46.4Very low42Very low127 Ų127124.1 Ų124.183%0.82562%0.616SS**THydrogen-bonded Turntrans-64.8-13.4-174.525.8-35.1000114.3
15Y44.2Very low42.6Very low200 Ų200123.6 Ų123.678%0.78460%0.602SS**THydrogen-bonded Turntrans-1048.6175.4-59.4-69.9000113.6C13 Y17C13-Y15 PolarHBondContact O-N 3.09Å; Y15-Y17 WeakPolarHBondContact O-CD2 3.42Å; Y15-Y17 WeakPolarHBondContact O-CE2 3.36Å; Y15-Y17 PolarHBondContact O-N 2.71Å; Y15-Y17 VanDerWaalsContact O-N 3.07Å
16G40.2Very low43.5Very low20 Ų20115.6 Ų115.621%0.20657%0.572CS.*SBendtrans75.7-12.8172.200000117C10 C13C10-G16 PolarHBondContact N-O 2.69Å; C13-G16 PolarHBondContact O-N 3.13Å
17Y46.8Very low43.8Very low169 Ų169109.4 Ų109.466%0.66355%0.553SS**SBendtrans-116.3140.1-179.7-50.2-72.1000111.3Y15Y15-Y17 WeakPolarHBondContact O-CD2 3.42Å; Y15-Y17 WeakPolarHBondContact O-CE2 3.36Å; Y15-Y17 PolarHBondContact O-N 2.71Å; Y15-Y17 VanDerWaalsContact O-N 3.07Å
18H38.4Very low44.2Very low134 Ų134108 Ų10862%0.6254%0.538SS*.PPolyproline II helixtrans-78.4124.3159.6-75.6-66.2000108.5C10C10-H18 VanDerWaalsContact SG-CE1 3.58Å; C10-H18 PolarHBondContact SG-NE2 3.18Å
19I47.9Very low44.5Very low128 Ų128106.2 Ų106.266%0.65652%0.523SS*.PPolyproline II helixtrans-72.3127.7159.4-59.9175.4000106.2L21 F23 V24I19-L21 PolarHBondContact O-N 3.21Å; I19-F23 HydrophobicContact CG2-CD1 3.91Å; I19-V24 HydrophobicContact CG2-CG2 4.13Å
20D45.4Very low44.8Very low101 Ų101102.7 Ų102.754%0.5451%0.511SS..PPolyproline II helixtrans-61.9134.7-179.3-158.5-38.4000110.7D22 F23 V24D20-D22 PolarHBondContact O-N 3.28Å; D20-D22 PolarHBondContact OD1-N 2.86Å; D20-F23 HydrophobicContact CB-CB 4.1Å; D20-F23 WeakPolarHBondContact O-CB 3.39Å; D20-F23 PolarHBondContact O-N 3.09Å; D20-F23 VanDerWaalsContact O-N 3.08Å; D20-V24 PolarHBondContact O-N 2.8Å; D20-V24 VanDerWaalsContact O-N 3.1Å
21L45Very low44.8Very low127 Ų127108 Ų10867%0.66554%0.538SS*.Hα-helixtrans-62.3-28.5173.9-90.4164.9000111.3I19 V24 K25I19-L21 PolarHBondContact O-N 3.21Å; L21-V24 PolarHBondContact O-N 2.79Å; L21-K25 WeakPolarHBondContact O-CG 3.29Å; L21-K25 PolarHBondContact O-N 2.92Å
22D45.8Very low44.6Very low95 Ų9599.6 Ų99.651%0.50851%0.514SS..Hα-helixtrans-77.4-24.6175.5-68.4-18000112.3D20 K25 Y26D20-D22 PolarHBondContact O-N 3.28Å; D20-D22 PolarHBondContact OD1-N 2.86Å; D22-K25 WeakPolarHBondContact OD1-CD 3.34Å; D22-K25 WeakPolarHBondContact OD1-CE 3.11Å; D22-K25 IonicContact OD1-NZ 2.75Å; D22-K25 PolarHBondContact OD1-NZ 3.21Å; D22-Y26 VanDerWaalsContact O-CB 3.23Å; D22-Y26 WeakPolarHBondContact O-CB 3.41Å; D22-Y26 PolarHBondContact O-N 2.74Å
23F46.7Very low44.1Very low129 Ų129100.1 Ų100.157%0.56651%0.514SS*.Hα-helixtrans-69.5-37.3166.4-177.8-99.1000111.7I19 D20 Y26 A27I19-F23 HydrophobicContact CG2-CD1 3.91Å; D20-F23 HydrophobicContact CB-CB 4.1Å; D20-F23 WeakPolarHBondContact O-CB 3.39Å; D20-F23 PolarHBondContact O-N 3.09Å; D20-F23 VanDerWaalsContact O-N 3.08Å; F23-Y26 PolarHBondContact O-N 2.88Å; F23-A27 PolarHBondContact O-N 3.5Å
24V46.4Very low43.7Very low35 Ų35103.4 Ų103.421%0.21254%0.536CS..Hα-helixtrans-64-47.1173.11770000110.8I19 D20 L21 Y26 A27 E28I19-V24 HydrophobicContact CG2-CG2 4.13Å; D20-V24 PolarHBondContact O-N 2.8Å; D20-V24 VanDerWaalsContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 2.79Å; V24-Y26 VanDerWaalsContact C-N 3.3Å; V24-Y26 PolarHBondContact O-N 2.95Å; V24-A27 PolarHBondContact O-N 3.48Å; V24-E28 WeakPolarHBondContact CG1-OE1 3.35Å; V24-E28 WeakPolarHBondContact O-CB 3.35Å; V24-E28 WeakPolarHBondContact O-CG 3.28Å; V24-E28 PolarHBondContact O-N 2.8Å
25K45.4Very low42.7Very low110 Ų110106.4 Ų106.448%0.47853%0.531SS..Hα-helixtrans-61.3-36.4173.5-67.9172.2-158.4159.10112.5L21 D22 E28 N29L21-K25 WeakPolarHBondContact O-CG 3.29Å; L21-K25 PolarHBondContact O-N 2.92Å; D22-K25 WeakPolarHBondContact OD1-CD 3.34Å; D22-K25 WeakPolarHBondContact OD1-CE 3.11Å; D22-K25 IonicContact OD1-NZ 2.75Å; D22-K25 PolarHBondContact OD1-NZ 3.21Å; K25-E28 PolarHBondContact O-N 3.09Å; K25-N29 VanDerWaalsContact O-CB 3.24Å; K25-N29 WeakPolarHBondContact O-CB 3.32Å; K25-N29 VanDerWaalsContact O-CG 3.26Å; K25-N29 PolarHBondContact O-N 2.86Å
26Y51Low41.9Very low80 Ų80104.5 Ų104.531%0.31453%0.533SS..Hα-helixtrans-64.5-46.5176.9177.7-103.2000111.6D22 F23 V24 E28 N29 N30D22-Y26 VanDerWaalsContact O-CB 3.23Å; D22-Y26 WeakPolarHBondContact O-CB 3.41Å; D22-Y26 PolarHBondContact O-N 2.74Å; F23-Y26 PolarHBondContact O-N 2.88Å; V24-Y26 VanDerWaalsContact C-N 3.3Å; V24-Y26 PolarHBondContact O-N 2.95Å; Y26-E28 VanDerWaalsContact C-N 3.33Å; Y26-E28 PolarHBondContact O-N 3.15Å; Y26-N29 PolarHBondContact O-N 2.86Å; Y26-N30 WeakPolarHBondContact CE1-ND2 3.46Å; Y26-N30 PolarHBondContact O-N 3.44Å; Y26-N30 PolarHBondContact OH-ND2 3.49Å; Y26-N30 VanDerWaalsContact OH-ND2 3.16Å
27A42.7Very low41.1Very low42 Ų42114.5 Ų114.535%0.34757%0.567SS.*Hα-helixtrans-63.8-37.3174.600000112.7F23 V24 N31F23-A27 PolarHBondContact O-N 3.5Å; V24-A27 PolarHBondContact O-N 3.48Å; A27-N31 PolarHBondContact O-N 3.01Å; A27-N31 PolarHBondContact O-ND2 2.81Å
28E47.5Very low40Very low102 Ų102111.2 Ų111.248%0.47757%0.568SS.*Hα-helixtrans-70.5-35.7175.3-72.9169.9-171.500111.9V24 K25 Y26 S32 R346V24-E28 WeakPolarHBondContact CG1-OE1 3.35Å; V24-E28 WeakPolarHBondContact O-CB 3.35Å; V24-E28 WeakPolarHBondContact O-CG 3.28Å; V24-E28 PolarHBondContact O-N 2.8Å; K25-E28 PolarHBondContact O-N 3.09Å; Y26-E28 VanDerWaalsContact C-N 3.33Å; Y26-E28 PolarHBondContact O-N 3.15Å; E28-S32 PolarHBondContact O-N 2.72Å; E28-R346 IonicContact OE1-NH2 3.61Å; E28-R346 PolarHBondContact OE1-NH2 2.71Å
29N49.6Very low39.4Very low101 Ų101110.8 Ų110.854%0.5458%0.575SS.*Hα-helixtrans-69.3-43174.1-81-7.5000112.5K25 Y26 N31 S32 T33K25-N29 VanDerWaalsContact O-CB 3.24Å; K25-N29 WeakPolarHBondContact O-CB 3.32Å; K25-N29 VanDerWaalsContact O-CG 3.26Å; K25-N29 PolarHBondContact O-N 2.86Å; Y26-N29 PolarHBondContact O-N 2.86Å; N29-N31 VanDerWaalsContact C-N 3.3Å; N29-N31 PolarHBondContact O-N 2.8Å; N29-S32 CarbonylContact O-C 3.57Å; N29-S32 WeakPolarHBondContact O-CA 3.27Å; N29-S32 VanDerWaalsContact O-CB 3.3Å; N29-S32 WeakPolarHBondContact O-CB 3.45Å; N29-S32 PolarHBondContact O-N 2.74Å; N29-S32 PolarHBondContact O-OG 3.44Å; N29-T33 PolarHBondContact O-N 3.35Å; N29-T33 PolarHBondContact O-OG1 3.4Å
30N42.7Very low38.4Very low68 Ų68111 Ų11136%0.36458%0.578SS.*Hα-helixtrans-63-36.9175.8-76.86.5000111.7Y26 S32 T33Y26-N30 WeakPolarHBondContact CE1-ND2 3.46Å; Y26-N30 PolarHBondContact O-N 3.44Å; Y26-N30 PolarHBondContact OH-ND2 3.49Å; Y26-N30 VanDerWaalsContact OH-ND2 3.16Å; N30-S32 VanDerWaalsContact C-N 3.27Å; N30-S32 PolarHBondContact O-N 3.32Å; N30-T33 WeakPolarHBondContact CA-OG1 3.42Å; N30-T33 PolarHBondContact O-N 3.1Å; N30-T33 PolarHBondContact O-OG1 3.25Å
31N42.6Very low37.5Very low130 Ų130114.4 Ų114.470%0.69560%0.595SS**Hα-helixtrans-69.6-21.9169.5-85.4-38.3000113.2A27 N29A27-N31 PolarHBondContact O-N 3.01Å; A27-N31 PolarHBondContact O-ND2 2.81Å; N29-N31 VanDerWaalsContact C-N 3.3Å; N29-N31 PolarHBondContact O-N 2.8Å
32S40.4Very low36.5Very low60 Ų60118.5 Ų118.542%0.4260%0.602SS.*Hα-helixtrans-78.6-30174.687.80000113.3E28 N29 N30 C34 R35E28-S32 PolarHBondContact O-N 2.72Å; N29-S32 CarbonylContact O-C 3.57Å; N29-S32 WeakPolarHBondContact O-CA 3.27Å; N29-S32 VanDerWaalsContact O-CB 3.3Å; N29-S32 WeakPolarHBondContact O-CB 3.45Å; N29-S32 PolarHBondContact O-N 2.74Å; N29-S32 PolarHBondContact O-OG 3.44Å; N30-S32 VanDerWaalsContact C-N 3.27Å; N30-S32 PolarHBondContact O-N 3.32Å; S32-C34 PolarHBondContact O-N 2.83Å; S32-C34 VanDerWaalsContact O-N 3.14Å; S32-R35 WeakPolarHBondContact O-CB 3.49Å; S32-R35 PolarHBondContact O-N 3.16Å
33T34.9Very low35.5Very low100 Ų100122.4 Ų122.461%0.61362%0.617SS**THydrogen-bonded Turntrans-66-1317929.10000114.2N29 N30 R35N29-T33 PolarHBondContact O-N 3.35Å; N29-T33 PolarHBondContact O-OG1 3.4Å; N30-T33 WeakPolarHBondContact CA-OG1 3.42Å; N30-T33 PolarHBondContact O-N 3.1Å; N30-T33 PolarHBondContact O-OG1 3.25Å; T33-R35 PolarHBondContact O-N 2.78Å; T33-R35 VanDerWaalsContact O-N 3.09Å
34C27.7Very low34.7Very low113 Ų113121.6 Ų121.676%0.76462%0.624SS**THydrogen-bonded Turntrans-69.68.5165.8-720000114.3S32S32-C34 PolarHBondContact O-N 2.83Å; S32-C34 VanDerWaalsContact O-N 3.14Å
35R25.7Very low33.7Very low191 Ų191127.9 Ų127.972%0.72166%0.656SS**SBendtrans-99.579.6174.8-70.1-169.2171.4-173-1.1113.7S32 T33S32-R35 WeakPolarHBondContact O-CB 3.49Å; S32-R35 PolarHBondContact O-N 3.16Å; T33-R35 PolarHBondContact O-N 2.78Å; T33-R35 VanDerWaalsContact O-N 3.09Å
36L26.8Very low32.7Very low159 Ų159127.7 Ų127.783%0.83267%0.668SS**  trans6690.7147.2-58169.9000117.5S38L36-S38 PolarHBondContact O-N 2.84Å
37Y23.8Very low31.4Very low231 Ų231131.1 Ų131.191%0.90669%0.691SS**  trans-60.499.4154.6-79-93.8000110.6
38S23.8Very low30.7Very low100 Ų100138.5 Ų138.570%0.69972%0.718SS**  trans-111.3100171.4-170.50000109.9L36 N40L36-S38 PolarHBondContact O-N 2.84Å; S38-N40 PolarHBondContact O-N 2.91Å
39T25.8Very low29.7Very low124 Ų124141.7 Ų141.776%0.76173%0.733SS**  trans-71104.1-165.7520000113.4L41T39-L41 VanDerWaalsContact C-N 3.35Å; T39-L41 PolarHBondContact O-N 3.24Å; T39-L41 VanDerWaalsContact O-N 3.14Å
40N25.7Very low28.5Very low134 Ų134140.5 Ų140.572%0.71774%0.737SS**  trans-8662.7175.6-89.6-71.8000113.5S38 R42S38-N40 PolarHBondContact O-N 2.91Å; N40-R42 VanDerWaalsContact C-N 3.25Å; N40-R42 PolarHBondContact O-N 2.59Å
41L27Very low27.6Very low172 Ų172148.4 Ų148.490%0.90176%0.762SS**  trans-81.570.1165.1-80.8172000111.1T39T39-L41 VanDerWaalsContact C-N 3.35Å; T39-L41 PolarHBondContact O-N 3.24Å; T39-L41 VanDerWaalsContact O-N 3.14Å
42R24Very low27Very low213 Ų213154.8 Ų154.880%0.80478%0.776SS**  trans-91.4100.7169.4-81.2-171.1173-167.70.1110.9N40 P44N40-R42 VanDerWaalsContact C-N 3.25Å; N40-R42 PolarHBondContact O-N 2.59Å; R42-P44 WeakPolarHBondContact O-CD 3.27Å
43H25.6Very low26.2Very low177 Ų177163.6 Ų163.682%0.81980%0.8SS**  trans-78.1123.1167-148.3-72000110L45H43-L45 PolarHBondContact O-N 2.86Å
44P28.9Very low25.6Very low112 Ų112164 Ų16473%0.72781%0.807SS**  trans-86.9114.7-176.132-32.2000111.7R42R42-P44 WeakPolarHBondContact O-CD 3.27Å
45L26Very low25.6Very low167 Ų167167.5 Ų167.587%0.87481%0.81SS**  trans-121.4129.2157.1-75.7176.6000109.1H43H43-L45 PolarHBondContact O-N 2.86Å
46S24.6Very low25.7Very low106 Ų106165.4 Ų165.474%0.74181%0.813SS**  trans-85131.9-164.156.80000113.5Q48S46-Q48 PolarHBondContact O-N 2.7Å
47L24.5Very low25.5Very low151 Ų151166.6 Ų166.679%0.79182%0.819SS**  trans21.397.3135.9-71.1161.3000116.4
48Q28.1Very low25.5Very low197 Ų197160.8 Ų160.892%0.92181%0.812SS**  trans-110.3146.7145.1-77.4-159.6-3.700110.5S46S46-Q48 PolarHBondContact O-N 2.7Å
49H25.4Very low25.7Very low169 Ų169165.5 Ų165.578%0.78282%0.82SS**  trans-92.3138.1-157.3-85.3-77.7000114.9
50A23.5Very low25.6Very low76 Ų76170.9 Ų170.963%0.62883%0.828SS**  trans67.2122.9131.900000121.4
51R25.3Very low25.4Very low235 Ų235173.6 Ų173.689%0.88784%0.836SS**  trans63.884.5134.7-60.8173.5-179.6-174.91.3118.4
52R29.1Very low25.4Very low263 Ų263170.6 Ų170.699%0.99283%0.829SS**  trans-129.198.8131.7-74.1-167.1174.9176.10.4110.4
53R23Very low25.6Very low245 Ų245166.6 Ų166.693%0.92583%0.829SS**  trans-114.7144177.9-147-179.8-165.7177.46108.5
54S24Very low25.6Very low109 Ų109167.1 Ų167.176%0.76283%0.829SS**  trans70.1104.4175.9-164.50000117.4
55K27.1Very low25.3Very low187 Ų187170.8 Ų170.881%0.81384%0.836SS**  -164.4167.6105.6-98163.6-174.2178.70110
56N26.9Very low25.4Very low147 Ų147168.7 Ų168.779%0.78683%0.83SS**  trans65.960170.1-57.9-5.3000118
57L23.3Very low25.3Very low183 Ų183168.8 Ų168.896%0.95883%0.831SS**  trans-134.467.1152.5-145.588.2000110.7
58S24.5Very low25.1Very low109 Ų109173.5 Ų173.576%0.76284%0.838SS**  trans-146.145.3-171.467.30000114
59K26.5Very low24.9Very low199 Ų199174.9 Ų174.987%0.86584%0.835SS**  trans-164.289.9167.9-121.9178.8-176.71790111.1
60Y23.7Very low24.8Very low238 Ų238176.5 Ų176.593%0.93384%0.84SS**  trans-174.463.5149.9-99.7-62000111.5
61H23.6Very low24.8Very low191 Ų191178.7 Ų178.788%0.88485%0.848SS**  trans-118.3104.7162.9-86.9-64.2000109.3
62S26.2Very low24.9Very low108 Ų108171 Ų17176%0.75584%0.842SS**  trans-155.761.2168.4-153.10000111.4K64S62-K64 PolarHBondContact O-N 3.36Å
63T28.2Very low24.6Very low129 Ų129163.7 Ų163.779%0.79183%0.831SS**  trans-6996.4172.8400000110.6Q65T63-Q65 PolarHBondContact O-N 3.13Å
64K25.1Very low24.7Very low189 Ų189161.1 Ų161.182%0.82283%0.83SS**  trans-73.4100.4168.9-76.2-176.5177.4176.60110S62 T66S62-K64 PolarHBondContact O-N 3.36Å; K64-T66 PolarHBondContact O-N 3.29Å
65Q23.8Very low24.7Very low189 Ų189163.3 Ų163.388%0.88383%0.828SS**  trans-65.5111.4166.2-71178.5-30.800109.7T63T63-Q65 PolarHBondContact O-N 3.13Å
66T26.4Very low24.7Very low123 Ų123157.5 Ų157.576%0.75582%0.821SS**  trans-81.6121.7165.241.70000109.1K64 W68K64-T66 PolarHBondContact O-N 3.29Å; T66-W68 PolarHBondContact O-N 2.82Å
67S23.8Very low24.6Very low108 Ų108160 Ų16076%0.75582%0.821SS**  trans-86.899.7-167.9430000112.7R69S67-R69 PolarHBondContact O-N 3.15Å
68W20.7Very low24.5Very low249 Ų249157.3 Ų157.394%0.94382%0.815SS**  trans-62.1103.5162.1-79.487.8000109.6T66T66-W68 PolarHBondContact O-N 2.82Å
69R23.7Very low24.5Very low227 Ų227160.7 Ų160.786%0.85782%0.819SS**PPolyproline II helixtrans-69.2129.4175.6-73.3-179.3171.1-120.92.4109.4S67 P71S67-R69 PolarHBondContact O-N 3.15Å; R69-P71 WeakPolarHBondContact O-CD 3.43Å
70K22Very low24.4Very low202 Ų202157.8 Ų157.888%0.87882%0.818SS**PPolyproline II helixtrans-60.2125.7168.6-66.2-176.5176.7-174.70109.8
71P25.1Very low24.4Very low123 Ų123157.7 Ų157.780%0.79982%0.816SS**PPolyproline II helixtrans-59.5145.8156.7-18.132.6000109.1R69 S73R69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-S73 PolarHBondContact O-N 2.87Å
72G25.8Very low24.4Very low74 Ų74156.7 Ų156.776%0.76381%0.812SS**PPolyproline II helixtrans-68.5131.5-175.300000112.5Q74G72-Q74 VanDerWaalsContact C-N 3.32Å; G72-Q74 PolarHBondContact O-N 3.34Å
73S23.6Very low24.4Very low109 Ų109157.7 Ų157.776%0.76281%0.813SS**  trans-72.784.5169.253.30000110.3P71 E75P71-S73 PolarHBondContact O-N 2.87Å; S73-E75 PolarHBondContact O-N 3.45Å
74Q25.2Very low24.4Very low191 Ų191158.2 Ų158.289%0.89381%0.811SS**  trans-76.1103.2159.6-77.2-170.4-27.500108.2G72 G76G72-Q74 VanDerWaalsContact C-N 3.32Å; G72-Q74 PolarHBondContact O-N 3.34Å; Q74-G76 PolarHBondContact O-N 3.02Å
75E24.3Very low24.5Very low154 Ų154159.1 Ų159.172%0.7282%0.815SS**  trans-71.774.9177.7-64-176.1150.300110.5S73 Y77S73-E75 PolarHBondContact O-N 3.45Å; E75-Y77 HydrophobicContact CB-CE2 4.46Å; E75-Y77 WeakPolarHBondContact O-CD2 3.47Å; E75-Y77 PolarHBondContact O-N 3.46Å
76G25.7Very low24.6Very low65 Ų65159.8 Ų159.867%0.6781%0.811SS**  trans-70.190.8174.700000111.3Q74 C78Q74-G76 PolarHBondContact O-N 3.02Å; G76-C78 VanDerWaalsContact C-N 3.3Å; G76-C78 PolarHBondContact O-N 3.23Å
77Y24.5Very low24.6Very low201 Ų201159.7 Ų159.779%0.78881%0.806SS**  trans-58.782.8176.8-86.5-103.3000112.6E75 Q79E75-Y77 HydrophobicContact CB-CE2 4.46Å; E75-Y77 WeakPolarHBondContact O-CD2 3.47Å; E75-Y77 PolarHBondContact O-N 3.46Å; Y77-Q79 PolarHBondContact O-N 3.38Å
78C21.4Very low24.7Very low125 Ų125164.4 Ų164.485%0.84581%0.807SS**  trans-73.796.4165.7-72.90000108.9G76 T80G76-C78 VanDerWaalsContact C-N 3.3Å; G76-C78 PolarHBondContact O-N 3.23Å; C78-T80 PolarHBondContact O-N 3.4Å
79Q26.2Very low25.2Very low180 Ų180156.7 Ų156.784%0.84179%0.788SS**  trans-54.8131.9-177.9-65.5175.3-600111.2Y77 R81Y77-Q79 PolarHBondContact O-N 3.38Å; Q79-R81 PolarHBondContact O-N 2.97Å
80T23.9Very low25.5Very low138 Ų138154.7 Ų154.785%0.84779%0.785SS**  trans-61.497.317543.60000110.4C78 Q82C78-T80 PolarHBondContact O-N 3.4Å; T80-Q82 PolarHBondContact O-N 3.22Å
81R22.7Very low25.9Very low236 Ų236147.5 Ų147.589%0.89176%0.764SS**PPolyproline II helixtrans-55.4124.9163.3-81.5-175.3169.4179.1-3.1107.7Q79 V83Q79-R81 PolarHBondContact O-N 2.97Å; R81-V83 PolarHBondContact O-N 3.4Å; R81-V83 VanDerWaalsContact O-N 3.13Å
82Q24.3Very low26Very low170 Ų170148.8 Ų148.879%0.79476%0.759SS**PPolyproline II helixtrans-62.9116.4171.9-62.7-177.7-99.600107.2T80 D84T80-Q82 PolarHBondContact O-N 3.22Å; Q82-D84 PolarHBondContact O-N 3.11Å
83V26.2Very low26.2Very low129 Ų129151 Ų15178%0.78275%0.754SS**PPolyproline II helixtrans-71.8118.2168.2178.90000106.2R81R81-V83 PolarHBondContact O-N 3.4Å; R81-V83 VanDerWaalsContact O-N 3.13Å
84D28.1Very low26.3Very low141 Ų141154.3 Ų154.375%0.75476%0.755SS**PPolyproline II helixtrans-59144.2-177.9-72.9-61.5000111.3Q82 Y86Q82-D84 PolarHBondContact O-N 3.11Å; D84-Y86 PolarHBondContact O-N 2.98Å; D84-Y86 VanDerWaalsContact O-N 3.15Å
85K27.3Very low26.3Very low207 Ų207153.7 Ų153.790%0.975%0.751SS**PPolyproline II helixtrans-59.7120.1-178.5-80.8-177.8170.1-176.10109.8D87K85-D87 PolarHBondContact O-N 2.82Å
86Y25.1Very low26.6Very low204 Ų204157 Ų15780%0.876%0.757SS**PPolyproline II helixtrans-57.2126.1164.4-94-108.8000109.7D84 W88D84-Y86 PolarHBondContact O-N 2.98Å; D84-Y86 VanDerWaalsContact O-N 3.15Å; Y86-W88 VanDerWaalsContact O-CD1 3.23Å; Y86-W88 PolarHBondContact O-N 3.35Å
87D27.6Very low26.7Very low120 Ų120164.7 Ų164.764%0.64277%0.766SS**  trans-88.5105-177-159.1-28.5000109.7K85 T89K85-D87 PolarHBondContact O-N 2.82Å; D87-T89 PolarHBondContact O-N 3.09Å; D87-T89 VanDerWaalsContact O-N 3.16Å; D87-T89 WeakPolarHBondContact OD1-CG2 3.46Å; D87-T89 PolarHBondContact OD1-OG1 3.05Å
88W25.6Very low26.9Very low208 Ų208162.3 Ų162.379%0.78877%0.766SS**THydrogen-bonded Turntrans-70.2-10.8-169.2-75.979.6000114.1Y86 K90 A91Y86-W88 VanDerWaalsContact O-CD1 3.23Å; Y86-W88 PolarHBondContact O-N 3.35Å; W88-K90 PolarHBondContact O-N 2.77Å; W88-K90 VanDerWaalsContact O-N 3.15Å; W88-A91 WeakPolarHBondContact O-CB 3.43Å; W88-A91 PolarHBondContact O-N 3.39Å
89T30Very low27Very low87 Ų87164 Ų16453%0.53476%0.763SS.*Hα-helixtrans-60.1-23.6-177.751.30000114.4D87D87-T89 PolarHBondContact O-N 3.09Å; D87-T89 VanDerWaalsContact O-N 3.16Å; D87-T89 WeakPolarHBondContact OD1-CG2 3.46Å; D87-T89 PolarHBondContact OD1-OG1 3.05Å
90K30.8Very low26.9Very low184 Ų184158.1 Ų158.180%0.874%0.742SS**Hα-helixtrans-76-18.3173.7-76.9-168.9174.8-175.80114.4W88W88-K90 PolarHBondContact O-N 2.77Å; W88-K90 VanDerWaalsContact O-N 3.15Å
91A30.4Very low27.2Very low52 Ų52156.6 Ų156.643%0.4374%0.735SS.*Hα-helixtrans-78.9-42.6-179.300000112.8W88 N93 F94W88-A91 WeakPolarHBondContact O-CB 3.43Å; W88-A91 PolarHBondContact O-N 3.39Å; A91-N93 VanDerWaalsContact C-N 3.3Å; A91-N93 PolarHBondContact O-N 2.9Å; A91-F94 PolarHBondContact O-N 3.28Å
92E28.1Very low27.7Very low149 Ų149152 Ų15270%0.69673%0.728SS**Hα-helixtrans-65.6-30.7-175.8-66.5-169.2128.400113.3F94 H95 R96E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.49Å; E92-H95 PolarHBondContact O-N 3.02Å; E92-R96 PolarHBondContact O-N 2.81Å
93N30.1Very low28Very low122 Ų122150 Ų15065%0.65272%0.719SS**Hα-helixtrans-69.3-21178.3-83.2-41.9000113.9A91A91-N93 VanDerWaalsContact C-N 3.3Å; A91-N93 PolarHBondContact O-N 2.9Å
94F24.8Very low28.2Very low178 Ų178150.1 Ų150.178%0.78171%0.714SS**Hα-helixtrans-76.9-38.7175.2-141.3-90.1000111.2A91 E92 R96A91-F94 PolarHBondContact O-N 3.28Å; E92-F94 VanDerWaalsContact C-N 3.28Å; E92-F94 PolarHBondContact O-N 3.49Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-R96 PolarHBondContact O-N 3.19Å
95H26.3Very low28.5Very low177 Ų177146.8 Ų146.882%0.81971%0.706SS**Hα-helixtrans-72.9-11.7178.9-93.6-74.5000115.1E92E92-H95 PolarHBondContact O-N 3.02Å
96R30Very low28.8Very low225 Ų225140.5 Ų140.585%0.84969%0.693SS**THydrogen-bonded Turntrans-995.9178.1-83.4-165.2178.4-131.64.9115.4E92 F94E92-R96 PolarHBondContact O-N 2.81Å; F94-R96 VanDerWaalsContact C-N 3.29Å; F94-R96 PolarHBondContact O-N 3.19Å
97R28.5Very low29Very low226 Ų226136 Ų13685%0.85368%0.682SS**SBendtrans-114.32.4-176.7-110-177.5-176.3-1772.4116.8
98L27.3Very low29.1Very low150 Ų150134 Ų13479%0.78568%0.678SS**SBendtrans-136.381.9170.8-72175.2000110.2
99M23.1Very low29.3Very low160 Ų160127.3 Ų127.379%0.78866%0.663SS**  trans179.5123.2143.4-88-40.717000106.2
100S24.1Very low29.3Very low57 Ų57128.2 Ų128.240%0.39966%0.664SS.*  trans-86.3141.3174.678.80000109.5N102 E103S100-N102 PolarHBondContact O-N 3.01Å; S100-E103 PolarHBondContact O-N 3.35Å; S100-E103 PolarHBondContact OG-OE2 3.03Å
101P31.5Very low29.2Very low107 Ų107124.3 Ų124.370%0.69566%0.659SS**G310 helixtrans-60.5-17.1-177.9-27.436.5000115.2L104P101-L104 PolarHBondContact O-N 3.39Å
102N32Very low29.3Very low140 Ų140124.5 Ų124.575%0.74966%0.657SS**G310 helixtrans-74.1-24.1-177.9-67.631.2000113.1S100 L104S100-N102 PolarHBondContact O-N 3.01Å; N102-L104 VanDerWaalsContact C-N 3.27Å; N102-L104 PolarHBondContact O-N 2.67Å
103E31.7Very low29.3Very low128 Ų128120.9 Ų120.960%0.59865%0.648SS**G310 helixtrans-79.3-11.5177.7-70.6158.4128.700112.2S100 A105S100-E103 PolarHBondContact O-N 3.35Å; S100-E103 PolarHBondContact OG-OE2 3.03Å; E103-A105 VanDerWaalsContact C-N 3.3Å; E103-A105 PolarHBondContact O-N 3.39Å
104L29.8Very low29.4Very low130 Ų130119.6 Ų119.668%0.68164%0.64SS**G310 helixtrans-85.35.2177.2-102.7163000114.3P101 N102P101-L104 PolarHBondContact O-N 3.39Å; N102-L104 VanDerWaalsContact C-N 3.27Å; N102-L104 PolarHBondContact O-N 2.67Å
105A33.8Very low29.8Very low72 Ų72119.2 Ų119.260%0.59564%0.638SS**G310 helixtrans-82.1-31.6176.900000113.2E103 S108E103-A105 VanDerWaalsContact C-N 3.3Å; E103-A105 PolarHBondContact O-N 3.39Å; A105-S108 PolarHBondContact O-OG 2.94Å
106A33.5Very low30.3Very low75 Ų75113.5 Ų113.562%0.6262%0.619SS**THydrogen-bonded Turntrans-77.1-47.2-175.500000113.2S108A106-S108 PolarHBondContact O-N 3.06Å
107D29.8Very low30.5Very low108 Ų108106.8 Ų106.858%0.57860%0.6SS**THydrogen-bonded Turntrans-75.94.4-172.5-68.1-14.5000114.7S109 I110D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.29Å; D107-I110 PolarHBondContact O-N 3.18Å
108S30.3Very low31Very low79 Ų7999.7 Ų99.755%0.55259%0.585SS**THydrogen-bonded Turntrans-70.3-19.2-177.163.70000114.1A105 A106 S112A105-S108 PolarHBondContact O-OG 2.94Å; A106-S108 PolarHBondContact O-N 3.06Å; S108-S112 PolarHBondContact O-OG 2.92Å
109S30Very low31.3Very low67 Ų6797.6 Ų97.647%0.46957%0.573SS.*THydrogen-bonded Turntrans-70-44173.952.10000113.1D107 S111 S112 C113D107-S109 VanDerWaalsContact C-N 3.26Å; D107-S109 PolarHBondContact O-N 3.29Å; S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 3.22Å; S109-S112 PolarHBondContact O-N 2.98Å; S109-S112 PolarHBondContact O-OG 3.25Å; S109-S112 VanDerWaalsContact O-OG 3.08Å; S109-C113 PolarHBondContact O-N 3.35Å; S109-C113 PolarHBondContact O-SG 3.45Å
110I29.5Very low32Very low107 Ų10795.4 Ų95.455%0.54956%0.561SS.*Hα-helixtrans-70.7-31.4-173.4-57.8179.1000111.3D107 I114D107-I110 PolarHBondContact O-N 3.18Å; I110-I114 HydrophobicContact CG2-CD1 3.91Å
111S28.5Very low33Very low101 Ų10197.3 Ų97.371%0.70657%0.567SS**Hα-helixtrans-79.1-15.9178.4-173.50000114.7S109S109-S111 VanDerWaalsContact C-N 3.34Å; S109-S111 PolarHBondContact O-N 3.22Å
112S31.9Very low33.3Very low56 Ų5697.6 Ų97.639%0.39256%0.562SS.*Hα-helixtrans-94.6-41.7-179.548.60000113.5S108 S109 S116S108-S112 PolarHBondContact O-OG 2.92Å; S109-S112 PolarHBondContact O-N 2.98Å; S109-S112 PolarHBondContact O-OG 3.25Å; S109-S112 VanDerWaalsContact O-OG 3.08Å; S112-S116 PolarHBondContact O-OG 3.29Å
113C29.3Very low33.6Very low74 Ų7494 Ų9450%0.555%0.545SS..Hα-helixtrans-79.2-23.4-169.3-610000114.4S109S109-C113 PolarHBondContact O-N 3.35Å; S109-C113 PolarHBondContact O-SG 3.45Å
114I31.5Very low34.1Very low95 Ų9590.9 Ų90.949%0.48754%0.538SS..THydrogen-bonded Turntrans-85.5-30.4-172.7-62.7178.2000113.3I110 S118I110-I114 HydrophobicContact CG2-CD1 3.91Å; I114-S118 WeakPolarHBondContact O-CB 3.44Å
115F32.6Very low34.8Very low169 Ų16989.5 Ų89.574%0.74153%0.531SS*.THydrogen-bonded Turntrans-116.5-5.3-171.4-81.3-74.9000116
116S36.8Very low35Very low58 Ų5892.3 Ų92.341%0.40653%0.53SS..THydrogen-bonded Turntrans-91.8-69.8171.2-35.70000107.9S112 S118 L119 E120S112-S116 PolarHBondContact O-OG 3.29Å; S116-S118 PolarHBondContact O-N 3.03Å; S116-L119 PolarHBondContact O-N 3.35Å; S116-L119 VanDerWaalsContact O-N 3.14Å; S116-E120 PolarHBondContact O-N 2.71Å
117D34.1Very low35.3Very low84 Ų8494.2 Ų94.245%0.44953%0.526SS..Hα-helixtrans-68.8-38.4-166.8-48.1-8.9000112L119 N121D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 3.01Å; D117-N121 WeakPolarHBondContact O-CA 3.49Å; D117-N121 WeakPolarHBondContact O-CB 3.34Å; D117-N121 PolarHBondContact O-N 3.45Å; D117-N121 PolarHBondContact O-OD1 3.32Å
118S39.2Very low36.1Very low77 Ų7793.3 Ų93.354%0.53852%0.518SS..Hα-helixtrans-67.4-26176.9-1700000113.6I114 S116 L122I114-S118 WeakPolarHBondContact O-CB 3.44Å; S116-S118 PolarHBondContact O-N 3.03Å; S118-L122 VanDerWaalsContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.43Å; S118-L122 PolarHBondContact O-N 3.12Å; S118-L122 VanDerWaalsContact O-N 3.15Å
119L33.4Very low36.6Very low105 Ų10593.8 Ų93.855%0.5552%0.518SS..Hα-helixtrans-91.8-38.4177-173.563.4000111.7S116 D117 N121 L122 V123S116-L119 PolarHBondContact O-N 3.35Å; S116-L119 VanDerWaalsContact O-N 3.14Å; D117-L119 VanDerWaalsContact C-N 3.28Å; D117-L119 PolarHBondContact O-N 3.01Å; L119-N121 VanDerWaalsContact C-N 3.31Å; L119-L122 PolarHBondContact O-N 3.49Å; L119-V123 HydrophobicContact CD1-CG2 4.27Å; L119-V123 HydrophobicContact CG-CG2 4.48Å; L119-V123 VanDerWaalsContact O-CB 3.27Å; L119-V123 WeakPolarHBondContact O-CB 3.47Å; L119-V123 VanDerWaalsContact O-CG2 3.23Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.43Å
120E38Very low36.7Very low115 Ų11594 Ų9454%0.53751%0.514SS..Hα-helixtrans-64.8-35.6170.5-72.7-161.9167.200110.7S116 S124 K1172S116-E120 PolarHBondContact O-N 2.71Å; E120-S124 WeakPolarHBondContact O-CB 3.44Å; E120-S124 PolarHBondContact O-N 3.21Å; E120-S124 PolarHBondContact O-OG 2.87Å; E120-K1172 IonicContact OE1-NZ 3.71Å; E120-K1172 IonicContact OE2-NZ 3.43Å
121N46.3Very low37.2Very low96 Ų9692.5 Ų92.551%0.51351%0.512SS..Hα-helixtrans-68.8-50171.6-70.9-5.2000111.8D117 L119 V123 S124 D125D117-N121 WeakPolarHBondContact O-CA 3.49Å; D117-N121 WeakPolarHBondContact O-CB 3.34Å; D117-N121 PolarHBondContact O-N 3.45Å; D117-N121 PolarHBondContact O-OD1 3.32Å; L119-N121 VanDerWaalsContact C-N 3.31Å; N121-V123 PolarHBondContact O-N 2.7Å; N121-S124 CarbonylContact O-C 3.43Å; N121-S124 WeakPolarHBondContact O-CA 3.49Å; N121-S124 PolarHBondContact O-N 3.11Å; N121-D125 WeakPolarHBondContact O-CB 3.44Å; N121-D125 PolarHBondContact O-N 2.94Å
122L37.6Very low37.7Very low113 Ų11397 Ų9759%0.59251%0.514SS*.Hα-helixtrans-64.9-29.3179.9-171.8141.2000112.5S118 L119 F126S118-L122 VanDerWaalsContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.43Å; S118-L122 PolarHBondContact O-N 3.12Å; S118-L122 VanDerWaalsContact O-N 3.15Å; L119-L122 PolarHBondContact O-N 3.49Å; L122-F126 WeakPolarHBondContact O-CB 3.4Å; L122-F126 PolarHBondContact O-N 2.9Å; L122-F126 VanDerWaalsContact O-N 3.13Å
123V37.7Very low38Very low65 Ų6598.7 Ų98.739%0.39453%0.525SS..Hα-helixtrans-73.4-37.7168.8171.80000111.6L119 N121 F126 E127L119-V123 HydrophobicContact CD1-CG2 4.27Å; L119-V123 HydrophobicContact CG-CG2 4.48Å; L119-V123 VanDerWaalsContact O-CB 3.27Å; L119-V123 WeakPolarHBondContact O-CB 3.47Å; L119-V123 VanDerWaalsContact O-CG2 3.23Å; L119-V123 WeakPolarHBondContact O-CG2 3.37Å; L119-V123 PolarHBondContact O-N 3.43Å; N121-V123 PolarHBondContact O-N 2.7Å; V123-F126 PolarHBondContact O-N 2.82Å; V123-E127 HydrophobicContact CG1-CG 4.33Å; V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 WeakPolarHBondContact O-CG 3.4Å; V123-E127 PolarHBondContact O-N 3.43Å
124S43.2Very low38Very low63 Ų6399.1 Ų99.144%0.44153%0.529SS..Hα-helixtrans-70.2-39176.9-60.80000112.6E120 N121 F126 E127 E128E120-S124 WeakPolarHBondContact O-CB 3.44Å; E120-S124 PolarHBondContact O-N 3.21Å; E120-S124 PolarHBondContact O-OG 2.87Å; N121-S124 CarbonylContact O-C 3.43Å; N121-S124 WeakPolarHBondContact O-CA 3.49Å; N121-S124 PolarHBondContact O-N 3.11Å; S124-F126 VanDerWaalsContact C-N 3.32Å; S124-E127 CarbonylContact O-C 3.6Å; S124-E127 PolarHBondContact O-N 2.86Å; S124-E128 VanDerWaalsContact O-CB 3.23Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 2.96Å
125D43.4Very low37.8Very low100 Ų10097.5 Ų97.554%0.53554%0.536SS..Hα-helixtrans-66.3-36.5173-68.9-27.8000110.5N121 T129N121-D125 WeakPolarHBondContact O-CB 3.44Å; N121-D125 PolarHBondContact O-N 2.94Å; D125-T129 WeakPolarHBondContact O-CB 3.07Å; D125-T129 PolarHBondContact O-N 2.83Å; D125-T129 PolarHBondContact O-OG1 3.11Å
126F38.2Very low37.5Very low131 Ų13195.5 Ų95.558%0.57554%0.538SS*.Hα-helixtrans-72.7-40.4174.1-168.6-104.9000112L122 V123 S124 T129 L130L122-F126 WeakPolarHBondContact O-CB 3.4Å; L122-F126 PolarHBondContact O-N 2.9Å; L122-F126 VanDerWaalsContact O-N 3.13Å; V123-F126 PolarHBondContact O-N 2.82Å; S124-F126 VanDerWaalsContact C-N 3.32Å; F126-T129 PolarHBondContact O-N 3.4Å; F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.4Å; F126-L130 HydrophobicContact CE1-CD1 3.55Å; F126-L130 HydrophobicContact CE1-CG 4.27Å; F126-L130 HydrophobicContact CZ-CD1 4.28Å; F126-L130 VanDerWaalsContact O-CB 3.29Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 VanDerWaalsContact O-CG 3.23Å; F126-L130 WeakPolarHBondContact O-CG 3.31Å; F126-L130 PolarHBondContact O-N 2.88Å
127E39.9Very low36.9Very low115 Ų115100.9 Ų100.954%0.53756%0.561SS.*Hα-helixtrans-70.8-30.8173.5-76.2-168.8174.600112.3V123 S124 S131V123-E127 HydrophobicContact CG1-CG 4.33Å; V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 WeakPolarHBondContact O-CG 3.4Å; V123-E127 PolarHBondContact O-N 3.43Å; S124-E127 CarbonylContact O-C 3.6Å; S124-E127 PolarHBondContact O-N 2.86Å; E127-S131 VanDerWaalsContact O-CB 3.25Å; E127-S131 WeakPolarHBondContact O-CB 3.38Å; E127-S131 PolarHBondContact O-N 2.94Å; E127-S131 PolarHBondContact O-OG 3.02Å
128E45.8Very low36.6Very low90 Ų90102.5 Ų102.542%0.42158%0.576SS.*Hα-helixtrans-74.6-40.3171.3-175.4169.7173.200110.7S124 L130 S131 R132S124-E128 VanDerWaalsContact O-CB 3.23Å; S124-E128 WeakPolarHBondContact O-CB 3.47Å; S124-E128 PolarHBondContact O-N 2.96Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.11Å; E128-S131 PolarHBondContact O-N 3.46Å; E128-S131 VanDerWaalsContact O-N 3.12Å; E128-R132 HydrophobicContact CG-CG 4.17Å; E128-R132 WeakPolarHBondContact O-CB 3.35Å; E128-R132 VanDerWaalsContact O-CG 3.28Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.16Å; E128-R132 IonicContact OE1-CZ 2.93Å; E128-R132 IonicContact OE1-NE 2.71Å; E128-R132 PolarHBondContact OE1-NE 2.92Å; E128-R132 IonicContact OE1-NH2 2.95Å; E128-R132 PolarHBondContact OE1-NH2 3.49Å
129T42.3Very low35.8Very low88 Ų88111 Ų11154%0.5460%0.596SS.*Hα-helixtrans-62.7-39.1172.1-61.60000110.9D125 F126 S133D125-T129 WeakPolarHBondContact O-CB 3.07Å; D125-T129 PolarHBondContact O-N 2.83Å; D125-T129 PolarHBondContact O-OG1 3.11Å; F126-T129 PolarHBondContact O-N 3.4Å; T129-S133 WeakPolarHBondContact O-CB 3.46Å; T129-S133 PolarHBondContact O-N 3.35Å; T129-S133 PolarHBondContact O-OG 3.31Å
130L31.8Very low35.5Very low73 Ų73109.3 Ų109.338%0.38260%0.604SS.*Hα-helixtrans-67.7-36.4170.8-75.3173.6000112.2F126 E128 S133 S134F126-L130 HydrophobicContact CD1-CD1 3.74Å; F126-L130 HydrophobicContact CD1-CG 4.4Å; F126-L130 HydrophobicContact CE1-CD1 3.55Å; F126-L130 HydrophobicContact CE1-CG 4.27Å; F126-L130 HydrophobicContact CZ-CD1 4.28Å; F126-L130 VanDerWaalsContact O-CB 3.29Å; F126-L130 WeakPolarHBondContact O-CB 3.4Å; F126-L130 VanDerWaalsContact O-CG 3.23Å; F126-L130 WeakPolarHBondContact O-CG 3.31Å; F126-L130 PolarHBondContact O-N 2.88Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 3.11Å; L130-S133 WeakPolarHBondContact CA-OG 3.3Å; L130-S133 CarbonylContact O-C 3.51Å; L130-S133 PolarHBondContact O-N 3.01Å; L130-S133 PolarHBondContact O-OG 2.88Å; L130-S134 WeakPolarHBondContact O-CB 3.13Å; L130-S134 PolarHBondContact O-N 3.43Å; L130-S134 PolarHBondContact O-OG 3.32Å
131S40.4Very low34.9Very low74 Ų74108.4 Ų108.452%0.51762%0.617SS.*Hα-helixtrans-69.1-46.3177.1-640000111.5E127 E128 S133 S134E127-S131 VanDerWaalsContact O-CB 3.25Å; E127-S131 WeakPolarHBondContact O-CB 3.38Å; E127-S131 PolarHBondContact O-N 2.94Å; E127-S131 PolarHBondContact O-OG 3.02Å; E128-S131 PolarHBondContact O-N 3.46Å; E128-S131 VanDerWaalsContact O-N 3.12Å; S131-S133 PolarHBondContact O-N 3.03Å; S131-S134 PolarHBondContact O-N 3.47Å; S131-S134 VanDerWaalsContact O-N 3.13Å
132R38.2Very low34Very low197 Ų197110.8 Ų110.874%0.74363%0.634SS**Hα-helixtrans-60.4-27.4173-70.3176.5-179.3-153.76.9112.3E128E128-R132 HydrophobicContact CG-CG 4.17Å; E128-R132 WeakPolarHBondContact O-CB 3.35Å; E128-R132 VanDerWaalsContact O-CG 3.28Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; E128-R132 PolarHBondContact O-N 3.16Å; E128-R132 IonicContact OE1-CZ 2.93Å; E128-R132 IonicContact OE1-NE 2.71Å; E128-R132 PolarHBondContact OE1-NE 2.92Å; E128-R132 IonicContact OE1-NH2 2.95Å; E128-R132 PolarHBondContact OE1-NH2 3.49Å
133S38Very low33.3Very low90 Ų90111.9 Ų111.963%0.62965%0.645SS**THydrogen-bonded Turntrans-1002175.560.10000115.4T129 L130 S131T129-S133 WeakPolarHBondContact O-CB 3.46Å; T129-S133 PolarHBondContact O-N 3.35Å; T129-S133 PolarHBondContact O-OG 3.31Å; L130-S133 WeakPolarHBondContact CA-OG 3.3Å; L130-S133 CarbonylContact O-C 3.51Å; L130-S133 PolarHBondContact O-N 3.01Å; L130-S133 PolarHBondContact O-OG 2.88Å; S131-S133 PolarHBondContact O-N 3.03Å
134S30.4Very low32.7Very low84 Ų84112.9 Ų112.959%0.58766%0.655SS**SBendtrans-120.128.8176.661.40000113.5L130 S131 T136L130-S134 WeakPolarHBondContact O-CB 3.13Å; L130-S134 PolarHBondContact O-N 3.43Å; L130-S134 PolarHBondContact O-OG 3.32Å; S131-S134 PolarHBondContact O-N 3.47Å; S131-S134 VanDerWaalsContact O-N 3.13Å; S134-T136 PolarHBondContact O-N 3.14Å
135G27.2Very low31.7Very low60 Ų60121 Ų12162%0.61968%0.676SS**  trans-54.988.7176.800000114.8
136T25.5Very low30.8Very low128 Ų128121.9 Ų121.979%0.78568%0.681SS**  trans51.177.415456.70000117.4S134S134-T136 PolarHBondContact O-N 3.14Å
137L24.5Very low30.1Very low171 Ų171121 Ų12190%0.89568%0.682SS**  trans-79119.5144.6-77.3175.7000109
138P26.7Very low29.4Very low117 Ų117122.8 Ų122.876%0.7669%0.688SS**  trans-69.5136.2-179.227.8-33.9000111.1G140P138-G140 VanDerWaalsContact C-N 3.27Å; P138-G140 PolarHBondContact O-N 2.8Å
139R23.3Very low28.5Very low255 Ų255125 Ų12596%0.96270%0.703SS**  trans-74.275.6176.4-74.4-178.8171.5164-0.9111.7
140G28Very low27.7Very low70 Ų70131.5 Ų131.572%0.72272%0.719SS**  trans-63.6137.3161.700000110.8P138P138-G140 VanDerWaalsContact C-N 3.27Å; P138-G140 PolarHBondContact O-N 2.8Å
141A25.2Very low27.3Very low97 Ų97134 Ų13480%0.80274%0.741SS**  trans-73.8146.1-172.500000113.2V143A141-V143 PolarHBondContact O-N 3.34Å
142V26.1Very low26.8Very low145 Ų145135.4 Ų135.488%0.87975%0.751SS**  trans-73.2115.1175.51770000110.4
143V24.3Very low26.5Very low136 Ų136132.8 Ų132.882%0.82475%0.752SS**  trans-131.7120.4157.1-177.60000109.1A141A141-V143 PolarHBondContact O-N 3.34Å
144S24.8Very low26.2Very low86 Ų86135.8 Ų135.860%0.60176%0.761SS**  trans-71.5141.7177.4171.60000112.1
145R22.2Very low26.2Very low234 Ų234139.9 Ų139.988%0.88377%0.771SS**  trans-160.8118.8131.3-109.9159-178.6163.50.5112.5
146N23.3Very low26.4Very low119 Ų119141.9 Ų141.964%0.63677%0.767SS**  20.4136.3110.1-61.733.3000116.4
147D24.8Very low26.6Very low111 Ų111141.4 Ų141.459%0.59476%0.756SS**  cis-149.2156.223.3-104.2-34.2000114.2
148K24.5Very low27Very low154 Ų154137 Ų13767%0.6774%0.744SS**  trans22.3134.5141.2-49.8175.7-166.875.90119.4
149D26.7Very low27.2Very low137 Ų137140.1 Ų140.173%0.73375%0.746SS**  -16216896.4-96.8-22.7000112.3
150Y26.1Very low27.6Very low223 Ų223137.4 Ų137.488%0.87574%0.736SS**  trans61.381.7174.1-63.4-79.7000119
151C24.4Very low27.8Very low126 Ų126142.7 Ų142.785%0.85173%0.734SS**  -157.8119.2122.3-136.80000112.2
152S28.7Very low28Very low104 Ų104145.7 Ų145.773%0.72774%0.736SS**  trans-28.2122.3-178.651.70000119N154S152-N154 PolarHBondContact O-N 3.47Å
153D31.4Very low28Very low142 Ų142141.6 Ų141.676%0.75972%0.723SS**G310 helixtrans-63.92.5-176.8-81.2-68.8000118.4E155 L156D153-E155 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.92Å; D153-E155 VanDerWaalsContact O-N 3.14Å; D153-L156 PolarHBondContact O-N 3.47Å
154N32.9Very low28Very low152 Ų152140.4 Ų140.481%0.81372%0.721SS**G310 helixtrans-72.3-9.7-163.6-92.5-1000116.9S152S152-N154 PolarHBondContact O-N 3.47Å
155E30.4Very low28Very low171 Ų171146.2 Ų146.280%0.79974%0.736SS**G310 helixtrans-101.6-17.1179.5-62.4-161136.200114.3D153D153-E155 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.92Å; D153-E155 VanDerWaalsContact O-N 3.14Å
156L30.4Very low28.2Very low102 Ų102146 Ų14653%0.53474%0.735SS.*THydrogen-bonded Turntrans-87.1-21.2-173.8-152.471.6000114.1D153 A158 F159D153-L156 PolarHBondContact O-N 3.47Å; L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.24Å; L156-F159 PolarHBondContact O-N 2.88Å
157E31.1Very low28.1Very low118 Ų118146.8 Ų146.855%0.55174%0.744SS**SBendtrans-63.8-34.3172.1-98.6-113.3134.700112.1F159 R160 R161E157-F159 PolarHBondContact O-N 3.12Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-R161 IonicContact OE1-NH2 3.61Å; E157-R161 IonicContact OE2-CZ 3.42Å; E157-R161 IonicContact OE2-NH1 2.7Å; E157-R161 PolarHBondContact OE2-NH1 3.14Å; E157-R161 IonicContact OE2-NH2 3.17Å; E157-R161 PolarHBondContact OE2-NH2 3Å; E157-R161 VanDerWaalsContact OE2-NH2 3.17Å
158A32.5Very low28.1Very low79 Ų79146.6 Ų146.665%0.65375%0.75SS**THydrogen-bonded Turntrans-60.3-33.9-17900000112.5L156L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.24Å
159F29.7Very low28Very low182 Ų182144.3 Ų144.380%0.79876%0.759SS**THydrogen-bonded Turntrans-82.3-11.3-176.3-98-83000115.2L156 E157L156-F159 PolarHBondContact O-N 2.88Å; E157-F159 PolarHBondContact O-N 3.12Å
160R32Very low28Very low198 Ų198145.1 Ų145.175%0.74776%0.762SS**THydrogen-bonded Turntrans-97.3-11.8-176.3-71.2-164.1-174.2128.62.7116.2E157E157-R160 PolarHBondContact O-N 3.35Å
161R32.5Very low27.9Very low180 Ų180143.7 Ų143.768%0.67976%0.76SS**SBendtrans-82.1-13-174.9-78.9-167.7175.490.610.3116.1E157 G163E157-R161 IonicContact OE1-NH2 3.61Å; E157-R161 IonicContact OE2-CZ 3.42Å; E157-R161 IonicContact OE2-NH1 2.7Å; E157-R161 PolarHBondContact OE2-NH1 3.14Å; E157-R161 IonicContact OE2-NH2 3.17Å; E157-R161 PolarHBondContact OE2-NH2 3Å; E157-R161 VanDerWaalsContact OE2-NH2 3.17Å; R161-G163 PolarHBondContact O-N 3.45Å
162N29.7Very low27.9Very low160 Ų160143 Ų14386%0.85676%0.763SS**SBendtrans-98.282.4178.2-74.8-16.6000111.9
163G26.5Very low27.7Very low59 Ų59143.4 Ų143.461%0.60877%0.766SS**  trans-78.9150.4-176.400000115.7R161R161-G163 PolarHBondContact O-N 3.45Å
164S23.3Very low27.5Very low111 Ų111141.8 Ų141.878%0.77677%0.766SS**  trans43.981.7152.81780000118
165F25.9Very low27.3Very low209 Ų209138 Ų13892%0.91776%0.763SS**  trans-108.4125145-91.3-88.7000110.6
166R24.8Very low27Very low229 Ų229139.6 Ų139.686%0.86476%0.762SS**  trans-66.4131.3-177-66.6179174.5-167.7-2.8110.3P168R166-P168 WeakPolarHBondContact O-CD 3.39Å
167T22.5Very low26.8Very low135 Ų135141.4 Ų141.483%0.82878%0.777SS**  trans-59.1115.3171.444.70000111.2A169T167-A169 PolarHBondContact O-N 3.03Å
168P23.7Very low26.7Very low108 Ų108144.3 Ų144.370%0.70179%0.791SS**  trans-74.9120.2171.5-10.528.4000108.7R166 I170R166-P168 WeakPolarHBondContact O-CD 3.39Å; P168-I170 VanDerWaalsContact C-N 3.3Å; P168-I170 HydrophobicContact CB-CG1 4.47Å; P168-I170 PolarHBondContact O-N 2.87Å
169A23Very low26.4Very low106 Ų106143.8 Ų143.888%0.87679%0.793SS**  trans-72.581.6179.100000111.4T167T167-A169 PolarHBondContact O-N 3.03Å
170I25.8Very low26.2Very low153 Ų153146 Ų14679%0.78580%0.798SS**  trans-93.2127.7172.1-60.7-179.4000108.5P168P168-I170 VanDerWaalsContact C-N 3.3Å; P168-I170 HydrophobicContact CB-CG1 4.47Å; P168-I170 PolarHBondContact O-N 2.87Å
171K25.2Very low25.8Very low194 Ų194142 Ų14284%0.84380%0.795SS**  trans-66.4142.6-169.8-63176-179.4178.20111.5S173K171-S173 PolarHBondContact O-N 3.03Å
172A24.2Very low25.5Very low111 Ų111138.6 Ų138.692%0.91780%0.799SS**  trans-62.2100.9178.400000111.9
173S25.4Very low25.3Very low113 Ų113138 Ų13879%0.7980%0.796SS**  trans-87.3107.8166.655.60000109.4K171 G175K171-S173 PolarHBondContact O-N 3.03Å; S173-G175 PolarHBondContact O-N 2.71Å
174S25.6Very low25.1Very low107 Ų107140.3 Ų140.375%0.74880%0.802SS**  trans-27.991.3173.41670000115R176S174-R176 PolarHBondContact O-N 2.93Å
175G28.5Very low25.2Very low73 Ų73139.4 Ų139.475%0.75380%0.801SS**  trans-80.998.4168.200000109.8S173 T177S173-G175 PolarHBondContact O-N 2.71Å; G175-T177 PolarHBondContact O-N 3.36Å
176R25.3Very low25.1Very low204 Ų204140.2 Ų140.277%0.7780%0.8SS**  trans-70.6126.8169.4-81.6-178170.3171.8-4.2109.2S174 E178S174-R176 PolarHBondContact O-N 2.93Å; R176-E178 PolarHBondContact O-N 3.47Å
177T26.3Very low25Very low141 Ų141136.9 Ų136.987%0.86580%0.798SS**  trans-72.7100.7161.6480000108.4G175G175-T177 PolarHBondContact O-N 3.36Å
178E28.2Very low25.2Very low178 Ų178136.1 Ų136.183%0.83280%0.796SS**  trans-71.3129.1168.4-65.3-176.3151.300108.5R176R176-E178 PolarHBondContact O-N 3.47Å
179G26.5Very low25.4Very low68 Ų68137.3 Ų137.370%0.70180%0.801SS**  trans-71.3145.5-175.400000112T181G179-T181 PolarHBondContact O-N 3.46Å
180Y24.7Very low25.5Very low230 Ų230139.3 Ų139.390%0.90279%0.79SS**  trans-66.8103.7175-80.8-91.4000110.9
181T25.4Very low25.5Very low113 Ų113136.7 Ų136.769%0.69379%0.791SS**  trans-87.8127.1156.650.30000108.9G179 D183G179-T181 PolarHBondContact O-N 3.46Å; T181-D183 PolarHBondContact O-N 3.25Å
182S24.8Very low25.6Very low108 Ų108138.3 Ų138.376%0.75579%0.793SS**  trans-7689.6179.2500000111.2C184S182-C184 VanDerWaalsContact C-N 3.27Å; S182-C184 PolarHBondContact O-N 3.31Å
183D25.3Very low25.7Very low147 Ų147136.1 Ų136.179%0.78678%0.782SS**  trans-69.679.9173.7-81-27.5000111.4T181 A185T181-D183 PolarHBondContact O-N 3.25Å; D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 2.86Å
184C22.8Very low25.6Very low108 Ų108136.4 Ų136.473%0.7378%0.784SS**  trans-68.986.2170.7-66.50000110.2S182 Y186S182-C184 VanDerWaalsContact C-N 3.27Å; S182-C184 PolarHBondContact O-N 3.31Å; C184-Y186 PolarHBondContact O-N 3.26Å
185A26Very low25.6Very low93 Ų93135.7 Ų135.777%0.76978%0.784SS**  trans-68.499-177.900000112.2D183 L187D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 2.86Å; A185-L187 PolarHBondContact O-N 3.48Å; A185-L187 VanDerWaalsContact O-N 3.15Å
186Y23.6Very low25.3Very low226 Ų226137.3 Ų137.389%0.88678%0.782SS**PPolyproline II helixtrans-52.9117.2169.9-99.2-103.8000111.1C184 P188C184-Y186 PolarHBondContact O-N 3.26Å; Y186-P188 WeakPolarHBondContact O-CD 3.39Å
187L23.2Very low25.2Very low158 Ų158135.6 Ų135.683%0.82779%0.787SS**PPolyproline II helixtrans-77.8118.1167.5-79.3167.1000108.7A185 T189A185-L187 PolarHBondContact O-N 3.48Å; A185-L187 VanDerWaalsContact O-N 3.15Å; L187-T189 PolarHBondContact O-N 3.02Å
188P26.1Very low25.1Very low120 Ų120136.5 Ų136.578%0.77979%0.787SS**PPolyproline II helixtrans-66.5121.7176.227.2-33.1000109.4Y186 K190Y186-P188 WeakPolarHBondContact O-CD 3.39Å; P188-K190 PolarHBondContact O-N 3.19Å
189T27.6Very low24.9Very low133 Ų133136.9 Ų136.982%0.81679%0.785SS**PPolyproline II helixtrans-56.413517943.20000111L187 A191L187-T189 PolarHBondContact O-N 3.02Å; T189-A191 PolarHBondContact O-N 2.81Å
190K25.3Very low24.7Very low148 Ų148145.4 Ų145.464%0.64380%0.798SS**  trans-56.2112.6170.5-76.2179.4173.5179.20108.5P188 Y192 E471P188-K190 PolarHBondContact O-N 3.19Å; K190-Y192 PolarHBondContact O-N 3.1Å; K190-Y192 VanDerWaalsContact O-N 3.08Å; K190-E471 IonicContact NZ-OE2 2.69Å; K190-E471 PolarHBondContact NZ-OE2 2.91Å
191A26.3Very low24.7Very low97 Ų97145.4 Ų145.480%0.80280%0.796SS**  trans-59.1115.4173.800000109.3T189 G193T189-A191 PolarHBondContact O-N 2.81Å; A191-G193 PolarHBondContact O-N 3.39Å; A191-G193 VanDerWaalsContact O-N 3.16Å
192Y26.9Very low24.6Very low229 Ų229146.9 Ų146.990%0.89880%0.8SS**  trans-62.8116.7167.8-95.8-97.1000107.7K190 S194K190-Y192 PolarHBondContact O-N 3.1Å; K190-Y192 VanDerWaalsContact O-N 3.08Å; Y192-S194 PolarHBondContact O-N 2.96Å; Y192-S194 VanDerWaalsContact O-N 3.08Å
193G25.1Very low24.6Very low65 Ų65146.8 Ų146.867%0.6781%0.806SS**  trans-64.4111.9179.600000109.8A191 A195A191-G193 PolarHBondContact O-N 3.39Å; A191-G193 VanDerWaalsContact O-N 3.16Å; G193-A195 WeakPolarHBondContact O-CB 3.19Å; G193-A195 PolarHBondContact O-N 3.42Å
194S25Very low24.6Very low119 Ų119143.3 Ų143.383%0.83281%0.805SS**  trans-51.4113.9170178.70000109.4Y192Y192-S194 PolarHBondContact O-N 2.96Å; Y192-S194 VanDerWaalsContact O-N 3.08Å
195A24.4Very low24.6Very low91 Ų91149.1 Ų149.175%0.75281%0.811SS**  trans-140.533.1-172.800000111.8G193G193-A195 WeakPolarHBondContact O-CB 3.19Å; G193-A195 PolarHBondContact O-N 3.42Å
196C22.4Very low24.6Very low107 Ų107149.1 Ų149.172%0.72381%0.811SS**SBendtrans-154.2165.3163.1-95.90000109.5
197I24.4Very low24.7Very low169 Ų169143.6 Ų143.687%0.86780%0.801SS**  trans67.257.3-178-38.1177.7000113.6
198D22.5Very low24.7Very low160 Ų160140.5 Ų140.586%0.85680%0.799SS**  trans-12566.2155.6-163.64.5000109.7
199K24.5Very low24.7Very low185 Ų185137.7 Ų137.780%0.80479%0.792SS**  trans175.885.7163.6-102.7167.9-176.7-177.50111.8
200Y23.4Very low24.8Very low248 Ų248137 Ų13797%0.97379%0.789SS**  trans-148.853.6138.2-104.5-64.6000110.6
201R23.1Very low24.7Very low229 Ų229135.3 Ų135.386%0.86479%0.794SS**  trans-103.897.7170.4-177.2-178-174160.25.6109
202N24.3Very low24.6Very low145 Ų145136.4 Ų136.478%0.77579%0.793SS**  trans-176.6128.6131.4-94.9-13.2000113.9
203A24.6Very low24.6Very low106 Ų106133.2 Ų133.288%0.87679%0.79SS**  trans43.8119.5137.900000120.6
204G25Very low24.4Very low74 Ų74134.7 Ų134.776%0.76379%0.79SS**  trans-160.750.4169.600000112.6A206G204-A206 VanDerWaalsContact C-N 3.3Å; G204-A206 PolarHBondContact O-N 3.2Å
205R24Very low24.4Very low229 Ų229135.6 Ų135.686%0.86479%0.791SS**  trans-70.776.1-173.2-170-164.3-165.7-144.37.3112.4T207R205-T207 HydrophobicContact CG-CG2 4.16Å; R205-T207 PolarHBondContact O-N 2.78Å
206A24.3Very low24.3Very low93 Ų93138.1 Ų138.177%0.76979%0.791SS**  trans-90.587.916800000109.8G204 A208G204-A206 VanDerWaalsContact C-N 3.3Å; G204-A206 PolarHBondContact O-N 3.2Å; A206-A208 PolarHBondContact O-N 2.89Å
207T26.2Very low24.4Very low110 Ų110137.8 Ų137.868%0.67579%0.786SS**  trans-73.872.7171.249.70000110.5R205 G209R205-T207 HydrophobicContact CG-CG2 4.16Å; R205-T207 PolarHBondContact O-N 2.78Å; T207-G209 PolarHBondContact O-N 2.92Å
208A24Very low24.5Very low93 Ų93139.5 Ų139.577%0.76979%0.79SS**PPolyproline II helixtrans-64.5126.3153.100000107A206A206-A208 PolarHBondContact O-N 2.89Å
209G25.1Very low24.5Very low62 Ų62136.1 Ų136.164%0.63978%0.779SS**PPolyproline II helixtrans-60.1151.6173.500000110.3T207T207-G209 PolarHBondContact O-N 2.92Å
210P29.6Very low24.6Very low117 Ų117136.2 Ų136.276%0.7678%0.779SS**PPolyproline II helixtrans-55.9148.3178.425.5-34.6000110.3
211P24.1Very low24.6Very low114 Ų114131 Ų13174%0.7477%0.773SS**PPolyproline II helixtrans-54.4136.3171.925.8-34.1000108.1L213P211-L213 PolarHBondContact O-N 3.45Å
212P24.9Very low24.6Very low120 Ų120125.8 Ų125.878%0.77977%0.772SS**  trans-67.4100.6-176.627.4-33.6000109.1S214P212-S214 PolarHBondContact O-N 3.25Å
213L25.2Very low24.6Very low162 Ų162123.1 Ų123.185%0.84877%0.771SS**  trans-54.3100.6150.6-84.9172.7000105.7P211 T215P211-L213 PolarHBondContact O-N 3.45Å; L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 3.33Å
214S21.7Very low24.7Very low96 Ų96127.7 Ų127.767%0.67177%0.774SS**  trans-70.692178.633.40000106.8P212 L216P212-S214 PolarHBondContact O-N 3.25Å; S214-L216 PolarHBondContact O-N 2.86Å
215T25Very low24.6Very low137 Ų137127.9 Ų127.984%0.8477%0.768SS**  trans-64.172.1166.739.90000108.9L213 T217L213-T215 VanDerWaalsContact C-N 3.26Å; L213-T215 PolarHBondContact O-N 3.33Å; T215-T217 PolarHBondContact O-N 3.26Å
216L22.8Very low24.5Very low145 Ų145123.5 Ų123.576%0.75976%0.761SS**  trans-72.479172-90.3173.6000109.3S214S214-L216 PolarHBondContact O-N 2.86Å
217T23.7Very low24.4Very low99 Ų99128.6 Ų128.661%0.60776%0.76SS**  trans60.496.9144.456.80000115.8T215 S219T215-T217 PolarHBondContact O-N 3.26Å; T217-S219 PolarHBondContact O-N 3.1Å
218E26Very low24.4Very low205 Ų205128.9 Ų128.996%0.95877%0.767SS**  -39.6125120.8-63.5-177.8150.800108.9
219S23.1Very low24.4Very low89 Ų89130 Ų13062%0.62276%0.759SS**  trans-137.3102.3177.81290000110.5T217T217-S219 PolarHBondContact O-N 3.1Å
220K25.7Very low24.4Very low187 Ų187134.5 Ų134.581%0.81377%0.768SS**  trans68.181.6156.6-59.1170.5-174.11700116S222K220-S222 PolarHBondContact O-N 3.36Å; K220-S222 VanDerWaalsContact O-N 3.16Å
221T23.4Very low24.1Very low138 Ų138132.9 Ų132.985%0.84777%0.773SS**  -34.6112.1128.338.20000112A223T221-A223 PolarHBondContact O-N 3.05Å; T221-A223 VanDerWaalsContact O-N 3.17Å
222S24.7Very low24.1Very low120 Ų120131.3 Ų131.384%0.83978%0.777SS**  trans-79.686.8163.154.50000108.7K220 E224K220-S222 PolarHBondContact O-N 3.36Å; K220-S222 VanDerWaalsContact O-N 3.16Å; S222-E224 PolarHBondContact O-N 2.84Å
223A23.2Very low24Very low90 Ų90131.6 Ų131.674%0.74477%0.768SS**  trans-76.2104-176.500000112.1T221T221-A223 PolarHBondContact O-N 3.05Å; T221-A223 VanDerWaalsContact O-N 3.17Å
224E26.4Very low24Very low201 Ų201130.8 Ų130.894%0.93977%0.77SS**  trans-90.497.5153.1-75.2-154.6131.200109.6S222S222-E224 PolarHBondContact O-N 2.84Å
225A24.2Very low24.1Very low78 Ų78136.9 Ų136.965%0.64578%0.778SS**  trans-85.2143.6164.800000109.5
226L21.9Very low24.7Very low138 Ų138135 Ų13572%0.72377%0.769SS**  170.9113.2109.9-87.1169.5000113.1
227R21.8Very low24.6Very low199 Ų199132.5 Ų132.575%0.75176%0.763SS**  trans35.6116.4131-53.2175.9-163-167.93.4119I229R227-I229 HydrophobicContact CB-CD1 3.97Å; R227-I229 HydrophobicContact CB-CG1 4.4Å; R227-I229 HydrophobicContact CG-CD1 4.26Å
228S26.2Very low24.6Very low116 Ų116136 Ų13681%0.81178%0.777SS**  -153.4130.2101.3-77.20000108.9
229I23.3Very low24.5Very low116 Ų116131.2 Ų131.260%0.59577%0.767SS**  cis82.112243.5-63.2175000112.3R227R227-I229 HydrophobicContact CB-CD1 3.97Å; R227-I229 HydrophobicContact CB-CG1 4.4Å; R227-I229 HydrophobicContact CG-CD1 4.26Å
230N25.2Very low24.6Very low158 Ų158131.8 Ų131.885%0.84577%0.77SS**  trans65127.2-179.2-53.9-24.5000114.5
231G22.7Very low24.5Very low82 Ų82130.1 Ų130.185%0.84577%0.769SS**  cis119.9104.39.400000110
232G25.6Very low24.5Very low81 Ų81132.6 Ų132.684%0.83577%0.768SS**  trans-17078.2-172.900000112
233E21.9Very low24.5Very low126 Ų126132 Ų13259%0.58976%0.764SS**  trans-89.2132.2170.8-72.2172.2-155.100110.6R1242E233-R1242 IonicContact OE1-CZ 3.28Å; E233-R1242 IonicContact OE1-NH1 2.67Å; E233-R1242 PolarHBondContact OE1-NH1 2.91Å; E233-R1242 IonicContact OE1-NH2 3.55Å; E233-R1242 PolarHBondContact OE1-NH2 3.32Å; E233-R1242 IonicContact OE2-CZ 2.93Å; E233-R1242 IonicContact OE2-NE 3.91Å; E233-R1242 IonicContact OE2-NH1 3.86Å; E233-R1242 PolarHBondContact OE2-NH1 3.5Å; E233-R1242 IonicContact OE2-NH2 3.57Å; E233-R1242 PolarHBondContact OE2-NH2 3.47Å; E233-R1242 VanDerWaalsContact OE2-NH2 3.13Å
234T24.3Very low24.4Very low145 Ų145133.8 Ų133.889%0.8977%0.765SS**  trans-159.6123.1139-1.90000113.3
235R24.1Very low24.3Very low224 Ų224130.2 Ų130.285%0.84576%0.762SS**  trans-80.8175.5152.6-105.4-175.6168.1-179.6-2.8108.3
236P37.9Very low24.1Very low99 Ų99132 Ų13264%0.64377%0.765SS**  cis-142.3-174.9-25.134.4-13.3000114.6
237S21.8Very low24.2Very low92 Ų92134.8 Ų134.864%0.64377%0.771SS**  trans68.5121.6137.1660000123.5
238L22.6Very low24.2Very low171 Ų171128.7 Ų128.790%0.89576%0.759SS**  51.2124.4123.5-58.6169.1000120.8
239S24.5Very low24Very low106 Ų106130.3 Ų130.374%0.74175%0.754SS**  -170.9176.9128.560.80000112.7
240S25.1Very low24.1Very low100 Ų100129.9 Ų129.970%0.69976%0.761SS**  trans71.492.4166.4-54.70000116.5
241I23.9Very low24Very low152 Ų152125.6 Ų125.678%0.77976%0.755SS**  cis71.8117.544.1-47.8159.8000114
242K24.1Very low24.1Very low191 Ų191129.9 Ų129.983%0.8375%0.75SS**  trans-171164.8136.7-106155.6-173172.50112.9
243S23.4Very low24Very low108 Ų108133.6 Ų133.676%0.75575%0.746SS**  trans48.499.817747.10000115.3
244V22.1Very low24.2Very low127 Ų127132 Ų13277%0.7775%0.753SS**  cis60.9101.334.8-166.80000113.6
245S23.1Very low25.1Very low125 Ų125130.5 Ų130.587%0.87475%0.747SS**  trans-143.9127.7149.3-175.10000107.7
246T21.1Very low25Very low116 Ų116125.3 Ų125.371%0.71274%0.744SS**  trans-132135.4-170.148.40000111.3
247K22.7Very low24.3Very low196 Ų196131.4 Ų131.485%0.85276%0.755SS**  trans-173117.3163.6-104.4160.1-178-176.50107.6
248S21.9Very low24.4Very low71 Ų71135.2 Ų135.250%0.49777%0.767SS.*  68.7139.386.2740000113.8
249H23.5Very low24.4Very low150 Ų150131.9 Ų131.969%0.69476%0.764SS**  cis-163.2120.3-5.1-111-55.2000105.9
250S24.1Very low24.4Very low108 Ų108130.8 Ų130.876%0.75577%0.769SS**  64.7109.9104.270.10000119.3
251G24.2Very low24.2Very low68 Ų68129.6 Ų129.670%0.70177%0.773SS**  trans-167.1121.3154.300000108.1
252K24.2Very low24.2Very low172 Ų172127.4 Ų127.475%0.74878%0.777SS**  69.5131.158.6-73178.4156.1-83.20112
253E23.1Very low24.2Very low159 Ų159123.6 Ų123.674%0.74378%0.775SS**  cis-152.3-178.5-1.7-143.8134.2-146.800111.4
254A27.5Very low24Very low91 Ų91126.3 Ų126.375%0.75278%0.778SS**  trans-111.2-135.7-175.700000113.2
255P43.2Very low24.2Very low115 Ų115125.2 Ų125.275%0.74777%0.773SS**  -122.6153.9-124.637.1-19.6000116.9
256S22.2Very low24.3Very low114 Ų114125.3 Ų125.380%0.79777%0.768SS**  trans-113125.6160.1530000109.4
257R22.1Very low24.5Very low228 Ų228128.9 Ų128.986%0.8677%0.774SS**  cis63.674.335.1-68.8-168.4167.9-162.10.6115.5
258L23.4Very low24.7Very low171 Ų171127.3 Ų127.390%0.89577%0.774SS**  trans-131.3127.7139.6-65.5174.3000106.3
259A23.1Very low24.9Very low102 Ų102131.9 Ų131.984%0.84379%0.793SS**  cis83.6632100000115.4
260G24.4Very low25.1Very low82 Ų82131.6 Ų131.685%0.84580%0.796SS**  trans-169.5150.316200000110.3
261G22Very low25.4Very low75 Ų75132.5 Ų132.577%0.77380%0.802SS**  cis149100-6.800000111.8
262A22.9Very low26.3Very low106 Ų106131.5 Ų131.588%0.87679%0.792SS**  trans63.7166.2-173.100000114
263S24Very low26.9Very low111 Ų111129.3 Ų129.378%0.77678%0.784SS**  cis-135.6163.3162.60000111.8
264M20.2Very low27.6Very low166 Ų166127 Ų12782%0.81878%0.78SS**PPolyproline II helixtrans-85.1130.9174.3-77.8-168.170.200111.9
265P24.8Very low28Very low104 Ų104124.4 Ų124.468%0.67576%0.759SS**PPolyproline II helixtrans-84.8124.9154.832.5-28.4000109.9
266V25.3Very low28.3Very low127 Ų127122.7 Ų122.777%0.7775%0.747SS**PPolyproline II helixtrans-85116.2171.6175.90000108.8
267F26.5Very low29.4Very low190 Ų190121.8 Ų121.883%0.83373%0.733SS**  trans-135.2157.9166.7-96.8-82.3000111.9
268L26.7Very low30.1Very low163 Ų163116 Ų11685%0.85372%0.719SS**  trans-76.3155.6-158.9-70.1156.6000114L270L268-L270 PolarHBondContact O-N 2.95Å
269N26.4Very low31.3Very low168 Ų168113.3 Ų113.390%0.89870%0.701SS**  trans-58.2104.6-177.5-73.1-39.5000113
270L27.7Very low32.6Very low144 Ų144113 Ų11375%0.75469%0.685SS**  trans-113.1115.6156.6-76.3168.9000108.4L268 A275L268-L270 PolarHBondContact O-N 2.95Å; L270-A275 HydrophobicContact CB-CB 4.46Å; L270-A275 WeakPolarHBondContact O-CB 3.41Å
271S29.1Very low33.2Very low127 Ų127113.9 Ų113.989%0.88867%0.67SS**  trans-106.2113.2-177.258.60000111.4
272G43.2Very low34.1Very low47 Ų47113 Ų11349%0.48565%0.652SS.*SBendtrans158.3176175.700000113.2V274 A275G272-V274 PolarHBondContact O-N 3.24Å; G272-A275 PolarHBondContact O-N 3.43Å
273E37.5Very low35Very low126 Ų126111.3 Ų111.359%0.58963%0.629SS**Hα-helixtrans-53.2-37.1179.1-71.6-17611700112A275 T276 D277 K1189E273-A275 PolarHBondContact O-N 3.28Å; E273-T276 WeakPolarHBondContact CA-OG1 3.46Å; E273-T276 PolarHBondContact O-N 3.36Å; E273-T276 PolarHBondContact O-OG1 3.35Å; E273-D277 PolarHBondContact O-N 3.19Å; E273-K1189 IonicContact OE1-NZ 2.62Å; E273-K1189 PolarHBondContact OE1-NZ 3.37Å
274V36.5Very low35.8Very low109 Ų109109.4 Ų109.466%0.66162%0.615SS**Hα-helixtrans-56.8-34.9177.9-174.40000112.9G272 L278G272-V274 PolarHBondContact O-N 3.24Å; V274-L278 HydrophobicContact CG1-CD1 4.32Å; V274-L278 WeakPolarHBondContact O-CB 3.46Å; V274-L278 PolarHBondContact O-N 3.1Å
275A36.1Very low36.1Very low37 Ų37107.1 Ų107.131%0.30660%0.604SS.*Hα-helixtrans-76.2-35.1178.300000111.9L270 G272 E273 H279L270-A275 HydrophobicContact CB-CB 4.46Å; L270-A275 WeakPolarHBondContact O-CB 3.41Å; G272-A275 PolarHBondContact O-N 3.43Å; E273-A275 PolarHBondContact O-N 3.28Å; A275-H279 WeakPolarHBondContact O-CB 3.45Å; A275-H279 PolarHBondContact O-N 3.05Å
276T49.8Very low36.6Very low79 Ų79111 Ų11149%0.48561%0.605SS.*Hα-helixtrans-68.2-3717140.70000111.7E273 H279 N280E273-T276 WeakPolarHBondContact CA-OG1 3.46Å; E273-T276 PolarHBondContact O-N 3.36Å; E273-T276 PolarHBondContact O-OG1 3.35Å; T276-H279 PolarHBondContact O-N 2.82Å; T276-N280 WeakPolarHBondContact O-CB 3.48Å; T276-N280 PolarHBondContact O-N 3.1Å; T276-N280 PolarHBondContact O-ND2 2.8Å; T276-N280 VanDerWaalsContact O-ND2 3.11Å
277D45.6Very low37.2Very low96 Ų96109.2 Ų109.251%0.51360%0.599SS.*Hα-helixtrans-72.2-39.3179.7-67.1-24.1000112E273 H279 N280 L281E273-D277 PolarHBondContact O-N 3.19Å; D277-H279 VanDerWaalsContact C-N 3.33Å; D277-H279 PolarHBondContact O-N 2.97Å; D277-N280 PolarHBondContact O-N 3.48Å; D277-L281 WeakPolarHBondContact O-CB 3.46Å; D277-L281 PolarHBondContact O-N 3.02Å
278L37.6Very low37.4Very low106 Ų106104.3 Ų104.356%0.55559%0.588SS**Hα-helixtrans-62.5-37.5169.1-85.6165.2000112.6V274 L281 S282V274-L278 HydrophobicContact CG1-CD1 4.32Å; V274-L278 WeakPolarHBondContact O-CB 3.46Å; V274-L278 PolarHBondContact O-N 3.1Å; L278-L281 PolarHBondContact O-N 3.24Å; L278-S282 WeakPolarHBondContact O-CB 3.46Å; L278-S282 PolarHBondContact O-N 3.25Å
279H48.4Very low37.4Very low115 Ų115104.6 Ų104.653%0.53259%0.585SS.*Hα-helixtrans-68.5-41.7175-171.556.1000111.9A275 T276 D277 L281 S282 N283A275-H279 WeakPolarHBondContact O-CB 3.45Å; A275-H279 PolarHBondContact O-N 3.05Å; T276-H279 PolarHBondContact O-N 2.82Å; D277-H279 VanDerWaalsContact C-N 3.33Å; D277-H279 PolarHBondContact O-N 2.97Å; H279-L281 PolarHBondContact O-N 3.45Å; H279-S282 PolarHBondContact O-N 3.07Å; H279-N283 PolarHBondContact CD2-ND2 3.43Å; H279-N283 VanDerWaalsContact CD2-ND2 3.32Å; H279-N283 PolarHBondContact CE1-ND2 3.49Å; H279-N283 PolarHBondContact CE1-OD1 3.19Å; H279-N283 PolarHBondContact NE2-ND2 2.9Å; H279-N283 WeakPolarHBondContact O-CB 3.45Å; H279-N283 PolarHBondContact O-N 3.02Å; H279-N283 PolarHBondContact O-ND2 3.04Å
280N49.1Very low37.5Very low94 Ų94100.7 Ų100.750%0.50357%0.57SS.*Hα-helixtrans-60.2-43.8173.5-69.6-29.6000111.5T276 D277 N283 S284T276-N280 WeakPolarHBondContact O-CB 3.48Å; T276-N280 PolarHBondContact O-N 3.1Å; T276-N280 PolarHBondContact O-ND2 2.8Å; T276-N280 VanDerWaalsContact O-ND2 3.11Å; D277-N280 PolarHBondContact O-N 3.48Å; N280-N283 PolarHBondContact O-N 2.97Å; N280-S284 WeakPolarHBondContact O-CB 3.39Å; N280-S284 PolarHBondContact O-N 3.36Å
281L38.9Very low37.4Very low102 Ų10299.8 Ų99.853%0.53457%0.573SS.*Hα-helixtrans-65.9-43.1177-169.466.9000111.8D277 L278 H279 S284 M285D277-L281 WeakPolarHBondContact O-CB 3.46Å; D277-L281 PolarHBondContact O-N 3.02Å; L278-L281 PolarHBondContact O-N 3.24Å; H279-L281 PolarHBondContact O-N 3.45Å; L281-S284 WeakPolarHBondContact O-CB 3.4Å; L281-S284 PolarHBondContact O-N 2.82Å; L281-M285 WeakPolarHBondContact O-CG 3.46Å; L281-M285 PolarHBondContact O-N 3.2Å
282S40.1Very low37.3Very low56 Ų5699.2 Ų99.239%0.39256%0.564SS.*Hα-helixtrans-63.9-39.9175.6-172.10000112.5L278 H279 S284 M285 R286L278-S282 WeakPolarHBondContact O-CB 3.46Å; L278-S282 PolarHBondContact O-N 3.25Å; H279-S282 PolarHBondContact O-N 3.07Å; S282-S284 VanDerWaalsContact C-N 3.35Å; S282-M285 PolarHBondContact O-N 3.44Å; S282-R286 WeakPolarHBondContact O-CG 3.34Å; S282-R286 PolarHBondContact O-N 3.26Å
283N41.5Very low36.3Very low71 Ų71102.2 Ų102.238%0.3858%0.578SS.*Hα-helixtrans-68.3-34.6174.1-68.1-21.4000111.7H279 N280 R286 S287H279-N283 PolarHBondContact CD2-ND2 3.43Å; H279-N283 VanDerWaalsContact CD2-ND2 3.32Å; H279-N283 PolarHBondContact CE1-ND2 3.49Å; H279-N283 PolarHBondContact CE1-OD1 3.19Å; H279-N283 PolarHBondContact NE2-ND2 2.9Å; H279-N283 WeakPolarHBondContact O-CB 3.45Å; H279-N283 PolarHBondContact O-N 3.02Å; H279-N283 PolarHBondContact O-ND2 3.04Å; N280-N283 PolarHBondContact O-N 2.97Å; N283-R286 PolarHBondContact O-N 3.16Å; N283-S287 WeakPolarHBondContact O-CB 3.34Å; N283-S287 PolarHBondContact O-N 3.17Å; N283-S287 VanDerWaalsContact O-N 3.09Å
284S40.3Very low35.7Very low71 Ų71103.8 Ų103.850%0.49759%0.589SS.*Hα-helixtrans-64.3-47.5173.3-164.30000111.4N280 L281 S282 R286 S287 S288N280-S284 WeakPolarHBondContact O-CB 3.39Å; N280-S284 PolarHBondContact O-N 3.36Å; L281-S284 WeakPolarHBondContact O-CB 3.4Å; L281-S284 PolarHBondContact O-N 2.82Å; S282-S284 VanDerWaalsContact C-N 3.35Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 PolarHBondContact O-N 2.95Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 PolarHBondContact O-OG 3.46Å; S284-S288 PolarHBondContact O-N 2.71Å
285M27Very low35Very low118 Ų118104.1 Ų104.158%0.58159%0.592SS**Hα-helixtrans-57-43.6174.4-69.1-77.6-15900111.9L281 S282 S287 S288L281-M285 WeakPolarHBondContact O-CG 3.46Å; L281-M285 PolarHBondContact O-N 3.2Å; S282-M285 PolarHBondContact O-N 3.44Å; M285-S287 PolarHBondContact O-N 2.97Å; M285-S288 PolarHBondContact O-N 3.34Å; M285-S288 PolarHBondContact O-OG 2.73Å
286R35.3Very low34.5Very low184 Ų184107.1 Ų107.169%0.69461%0.611SS**Hα-helixtrans-69.2-14.1175.7-72.9178.5176.4-79.4-0.9114.2S282 N283 S284S282-R286 WeakPolarHBondContact O-CG 3.34Å; S282-R286 PolarHBondContact O-N 3.26Å; N283-R286 PolarHBondContact O-N 3.16Å; S284-R286 VanDerWaalsContact C-N 3.32Å; S284-R286 PolarHBondContact O-N 2.95Å
287S38.6Very low33.4Very low91 Ų91110.7 Ų110.764%0.63663%0.627SS**Hα-helixtrans-91.4-9.7178.973.80000114.2N283 S284 M285N283-S287 WeakPolarHBondContact O-CB 3.34Å; N283-S287 PolarHBondContact O-N 3.17Å; N283-S287 VanDerWaalsContact O-N 3.09Å; S284-S287 PolarHBondContact O-N 3.47Å; S284-S287 PolarHBondContact O-OG 3.46Å; M285-S287 PolarHBondContact O-N 2.97Å
288S29.9Very low32.6Very low87 Ų87111.7 Ų111.761%0.60864%0.641SS**SBendtrans-90.2-14.6175.432.70000114.6S284 M285 S290S284-S288 PolarHBondContact O-N 2.71Å; M285-S288 PolarHBondContact O-N 3.34Å; M285-S288 PolarHBondContact O-OG 2.73Å; S288-S290 PolarHBondContact O-N 2.77Å
289E26.7Very low32Very low168 Ų168113 Ų11379%0.78566%0.657SS**  trans-80.768.2172.7-70.5-179.4175.100111
290S27.6Very low31Very low86 Ų86115.6 Ų115.660%0.60167%0.674SS**  trans-67.2127.8167.655.80000109.9S288 V292S288-S290 PolarHBondContact O-N 2.77Å; S290-V292 PolarHBondContact O-N 3.2Å
291P26.1Very low30.1Very low126 Ų126115 Ų11582%0.81868%0.683SS**  trans-72.797.8-17428.7-34.9000111.3S293P291-S293 PolarHBondContact O-N 2.96Å; P291-S293 VanDerWaalsContact O-N 3.11Å
292V27Very low29.7Very low114 Ų114116.6 Ų116.669%0.69170%0.697SS**  trans-73.4102.3174.3-169.70000108.9S290 L294S290-V292 PolarHBondContact O-N 3.2Å; V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 HydrophobicContact CG1-CD2 4.31Å; V292-L294 HydrophobicContact CG1-CG 4.03Å; V292-L294 PolarHBondContact O-N 3Å
293S22.3Very low29.4Very low110 Ų110118.9 Ų118.977%0.76971%0.713SS**  trans-80.275177.839.80000111.1P291 T295P291-S293 PolarHBondContact O-N 2.96Å; P291-S293 VanDerWaalsContact O-N 3.11Å; S293-T295 PolarHBondContact O-N 3.15Å
294L25.1Very low29.2Very low160 Ų160121.1 Ų121.184%0.83873%0.725SS**  trans-7393.9166.9-68.4179.8000109.9V292V292-L294 VanDerWaalsContact C-N 3.31Å; V292-L294 HydrophobicContact CG1-CD2 4.31Å; V292-L294 HydrophobicContact CG1-CG 4.03Å; V292-L294 PolarHBondContact O-N 3Å
295T23.1Very low29.3Very low116 Ų116122.6 Ų122.671%0.71274%0.742SS**  trans-72.7135.9159.9500000109.6S293S293-T295 PolarHBondContact O-N 3.15Å
296S25Very low30.2Very low100 Ų100120.7 Ų120.770%0.69974%0.74SS**  trans53.2117.4168.544.90000115.8
297D26.6Very low30.9Very low154 Ų154115.8 Ų115.882%0.82473%0.727SS**  cis-148.517639.6-85.5-45.9000114.7C299D297-C299 PolarHBondContact O-N 3.38Å
298S27.4Very low31.2Very low116 Ų116117.1 Ų117.181%0.81173%0.727SS**  trans-69.5120.6-17656.50000114.1
299C26.7Very low32.5Very low133 Ų133115.3 Ų115.390%0.89972%0.722SS**  trans-147.9163.1155.5-120.90000111.2D297D297-C299 PolarHBondContact O-N 3.38Å
300L26.8Very low34.2Very low170 Ų170113.6 Ų113.689%0.8971%0.714SS**  trans-97.2152.5-158.6-72.6161000115.4
301A29.1Very low35.8Very low83 Ų83115.4 Ų115.469%0.68671%0.713SS**  trans56.393.8144.800000120.6
302T30.6Very low37.6Very low135 Ų135112.8 Ų112.883%0.82869%0.694SS**  32.6113.6123.657.70000120.4
303S33.8Very low39.5Very low104 Ų104110.4 Ų110.473%0.72768%0.683SS**  177.342.4121.163.70000118.5
304D37.8Very low42.2Very low117 Ų117111.4 Ų111.463%0.62667%0.673SS**  trans-1075.2-174.4-79.3-71.5000117.9S306 N307D304-S306 PolarHBondContact O-N 3.2Å; D304-N307 PolarHBondContact O-N 2.8Å; D304-N307 VanDerWaalsContact O-N 3.15Å; D304-N307 PolarHBondContact OD1-ND2 3.06Å
305A41.7Very low44.3Very low103 Ų103107 Ų10785%0.85166%0.656SS**THydrogen-bonded Turntrans-63-10.6-175.600000115.4
306S46.2Very low46.5Very low77 Ų77105.5 Ų105.554%0.53865%0.646SS.*THydrogen-bonded Turntrans-77.9-28.6175.947.40000114.2D304D304-S306 PolarHBondContact O-N 3.2Å
307N50.1Low49.1Very low81 Ų81104 Ų10443%0.43364%0.635SS.*Hα-helixtrans-75.9-42.2-165.4-63.9-19.5000111.8D304 G309 Q310 E311D304-N307 PolarHBondContact O-N 2.8Å; D304-N307 VanDerWaalsContact O-N 3.15Å; D304-N307 PolarHBondContact OD1-ND2 3.06Å; N307-G309 PolarHBondContact O-N 3.16Å; N307-Q310 PolarHBondContact O-N 2.9Å; N307-E311 PolarHBondContact O-N 3.38Å
308L46.2Very low51.6Low119 Ų119102 Ų10262%0.62362%0.622SS**Hα-helixtrans-58-35.2177.1-169.967.9000112.5E311 V312L308-E311 PolarHBondContact O-N 3.49Å; L308-V312 WeakPolarHBondContact O-CB 3.26Å; L308-V312 VanDerWaalsContact O-CG2 3.32Å; L308-V312 WeakPolarHBondContact O-CG2 3.36Å; L308-V312 PolarHBondContact O-N 3.13Å
309G56Low53.5Low49 Ų49102.1 Ų102.151%0.50561%0.612SS.*Hα-helixtrans-66.3-39.7175.900000113.1N307 S313N307-G309 PolarHBondContact O-N 3.16Å; G309-S313 WeakPolarHBondContact O-CB 3.32Å; G309-S313 PolarHBondContact O-N 2.83Å; G309-S313 PolarHBondContact O-OG 2.87Å
310Q62.4Low55.6Low132 Ų132101.9 Ų101.962%0.61760%0.601SS**Hα-helixtrans-69-43174.3-70.9-1640.400111.5N307 S313 K314N307-Q310 PolarHBondContact O-N 2.9Å; Q310-S313 PolarHBondContact O-N 3.08Å; Q310-S313 PolarHBondContact O-OG 3.4Å; Q310-K314 PolarHBondContact O-N 3.3Å
311E61.6Low58.2Low124 Ų12499.5 Ų99.558%0.57959%0.586SS**Hα-helixtrans-64.8-43.8-177.8-166.1162.8-121.100112.7N307 L308 S313 K314 S315N307-E311 PolarHBondContact O-N 3.38Å; L308-E311 PolarHBondContact O-N 3.49Å; E311-S313 PolarHBondContact O-N 2.92Å; E311-K314 PolarHBondContact O-N 2.88Å; E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.23Å; E311-S315 PolarHBondContact O-OG 3.47Å
312V64Low60.2Low71 Ų7197.6 Ų97.643%0.4357%0.57SS.*Hα-helixtrans-63.5-41172.3172.40000111.1L308 S315 V316L308-V312 WeakPolarHBondContact O-CB 3.26Å; L308-V312 VanDerWaalsContact O-CG2 3.32Å; L308-V312 WeakPolarHBondContact O-CG2 3.36Å; L308-V312 PolarHBondContact O-N 3.13Å; V312-S315 PolarHBondContact O-N 2.86Å; V312-V316 WeakPolarHBondContact O-CG2 3.39Å; V312-V316 PolarHBondContact O-N 3.27Å
313S67.6Low62Low65 Ų6595.6 Ų95.646%0.45556%0.558SS.*Hα-helixtrans-67.8-34.7178.275.70000113.1G309 Q310 E311 S317G309-S313 WeakPolarHBondContact O-CB 3.32Å; G309-S313 PolarHBondContact O-N 2.83Å; G309-S313 PolarHBondContact O-OG 2.87Å; Q310-S313 PolarHBondContact O-N 3.08Å; Q310-S313 PolarHBondContact O-OG 3.4Å; E311-S313 PolarHBondContact O-N 2.92Å; S313-S317 WeakPolarHBondContact O-CB 3.27Å; S313-S317 PolarHBondContact O-N 2.84Å; S313-S317 PolarHBondContact O-OG 2.89Å
314K77.4Confident64Low131 Ų13196.8 Ų96.857%0.5755%0.551SS**Hα-helixtrans-62.3-53.3169.8-84.9-178171.4-179.20110.7Q310 E311 V316 S317 E318Q310-K314 PolarHBondContact O-N 3.3Å; E311-K314 PolarHBondContact O-N 2.88Å; K314-V316 VanDerWaalsContact C-N 3.29Å; K314-V316 PolarHBondContact O-N 3.34Å; K314-S317 CarbonylContact O-C 3.57Å; K314-S317 WeakPolarHBondContact O-CA 3.49Å; K314-S317 WeakPolarHBondContact O-CB 3.43Å; K314-S317 PolarHBondContact O-N 3.42Å; K314-E318 WeakPolarHBondContact O-CG 3.48Å; K314-E318 PolarHBondContact O-N 3.46Å
315S69Low66Low68 Ų6898.8 Ų98.848%0.47655%0.55SS.*Hα-helixtrans-56.3-41.8-177.7-56.60000112.5E311 V312 L319E311-S315 WeakPolarHBondContact O-CB 3.22Å; E311-S315 PolarHBondContact O-N 3.23Å; E311-S315 PolarHBondContact O-OG 3.47Å; V312-S315 PolarHBondContact O-N 2.86Å; S315-L319 WeakPolarHBondContact O-CB 3.44Å; S315-L319 PolarHBondContact O-N 3.19Å; S315-L319 VanDerWaalsContact O-N 3.1Å
316V71.1Confident67.3Low84 Ų84100.3 Ų100.351%0.50954%0.539SS..Hα-helixtrans-67.8-38174.5171.40000111.8V312 K314 L320V312-V316 WeakPolarHBondContact O-CG2 3.39Å; V312-V316 PolarHBondContact O-N 3.27Å; K314-V316 VanDerWaalsContact C-N 3.29Å; K314-V316 PolarHBondContact O-N 3.34Å; V316-L320 PolarHBondContact O-N 3Å
317S78.3Confident68.2Low67 Ų67101.9 Ų101.947%0.46954%0.539SS..Hα-helixtrans-68.8-45.5178.8-54.80000111.8S313 K314 L319 L320 E321S313-S317 WeakPolarHBondContact O-CB 3.27Å; S313-S317 PolarHBondContact O-N 2.84Å; S313-S317 PolarHBondContact O-OG 2.89Å; K314-S317 CarbonylContact O-C 3.57Å; K314-S317 WeakPolarHBondContact O-CA 3.49Å; K314-S317 WeakPolarHBondContact O-CB 3.43Å; K314-S317 PolarHBondContact O-N 3.42Å; S317-L319 VanDerWaalsContact C-N 3.32Å; S317-L319 PolarHBondContact O-N 2.98Å; S317-L320 WeakPolarHBondContact O-CB 3.45Å; S317-L320 PolarHBondContact O-N 2.92Å; S317-L320 VanDerWaalsContact O-N 3.13Å; S317-E321 PolarHBondContact O-N 3.41Å
318E80.5Confident69.5Low114 Ų114104.4 Ų104.453%0.53355%0.546SS..Hα-helixtrans-61.7-40.6177.2-72.1169.6-163.800111.4K314 E321 A322K314-E318 WeakPolarHBondContact O-CG 3.48Å; K314-E318 PolarHBondContact O-N 3.46Å; E318-E321 PolarHBondContact O-N 3.31Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 2.7Å
319L65.7Low70.7Confident117 Ų117105 Ų10561%0.61355%0.546SS*.Hα-helixtrans-63.4-42.1173.1-172.769.7000111.8S315 S317 A322 V323S315-L319 WeakPolarHBondContact O-CB 3.44Å; S315-L319 PolarHBondContact O-N 3.19Å; S315-L319 VanDerWaalsContact O-N 3.1Å; S317-L319 VanDerWaalsContact C-N 3.32Å; S317-L319 PolarHBondContact O-N 2.98Å; L319-A322 PolarHBondContact O-N 3.18Å; L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 2.98Å
320L71.1Confident71Confident128 Ų128105 Ų10567%0.6754%0.538SS*.Hα-helixtrans-62-43.6176-133.883.6000111.5V316 S317 V323 H324V316-L320 PolarHBondContact O-N 3Å; S317-L320 WeakPolarHBondContact O-CB 3.45Å; S317-L320 PolarHBondContact O-N 2.92Å; S317-L320 VanDerWaalsContact O-N 3.13Å; L320-V323 PolarHBondContact O-N 2.86Å; L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.48Å; L320-H324 PolarHBondContact O-N 2.87Å
321E82.2Confident71.3Confident120 Ų120103.7 Ų103.756%0.56154%0.535SS*.Hα-helixtrans-67.6-33.9176.7-73.9-170.2170.900113.1S317 E318 R325S317-E321 PolarHBondContact O-N 3.41Å; E318-E321 PolarHBondContact O-N 3.31Å; E321-R325 WeakPolarHBondContact O-CB 3.47Å; E321-R325 WeakPolarHBondContact O-CG 3.08Å; E321-R325 PolarHBondContact O-N 3.15Å; E321-R325 PolarHBondContact O-NE 3.19Å; E321-R325 VanDerWaalsContact O-NE 3.13Å
322A71.2Confident71.9Confident43 Ų43101.8 Ų101.836%0.35553%0.528SS..Hα-helixtrans-66-46.6174.400000111.2E318 L319 H324 R325 H326E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 2.7Å; L319-A322 PolarHBondContact O-N 3.18Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.43Å; A322-R325 PolarHBondContact O-N 2.69Å; A322-H326 PolarHBondContact O-N 2.62Å
323V68.3Low71.9Confident94 Ų94103.2 Ų103.257%0.5753%0.53SS*.Hα-helixtrans-61.4-43.3174.3172.40000111L319 L320 H326 M327L319-V323 WeakPolarHBondContact O-CG2 3.23Å; L319-V323 PolarHBondContact O-N 2.98Å; L320-V323 PolarHBondContact O-N 2.86Å; V323-H326 PolarHBondContact O-N 3.11Å; V323-M327 WeakPolarHBondContact O-CB 3.25Å; V323-M327 PolarHBondContact O-N 3.18Å
324H76.4Confident71.1Confident129 Ų129104.4 Ų104.460%0.59753%0.531SS*.Hα-helixtrans-66.8-37.6179.5-163.7-171.4000112.2L320 A322 K328L320-H324 VanDerWaalsContact O-CB 3.31Å; L320-H324 WeakPolarHBondContact O-CB 3.48Å; L320-H324 PolarHBondContact O-N 2.87Å; A322-H324 VanDerWaalsContact C-N 3.35Å; A322-H324 PolarHBondContact O-N 3.43Å; H324-K328 WeakPolarHBondContact O-CB 3.21Å; H324-K328 PolarHBondContact O-N 3.03Å
325R79.6Confident70.7Confident159 Ų159103.6 Ų103.660%0.653%0.529SS*.Hα-helixtrans-61-49.4171.1-83.9177.2-84162.9-13.2111.9E321 A322 M327 K328 H329E321-R325 WeakPolarHBondContact O-CB 3.47Å; E321-R325 WeakPolarHBondContact O-CG 3.08Å; E321-R325 PolarHBondContact O-N 3.15Å; E321-R325 PolarHBondContact O-NE 3.19Å; E321-R325 VanDerWaalsContact O-NE 3.13Å; A322-R325 PolarHBondContact O-N 2.69Å; R325-M327 PolarHBondContact O-N 3.46Å; R325-K328 PolarHBondContact O-N 2.94Å; R325-H329 PolarHBondContact O-N 3.11Å
326H68.4Low70.4Confident135 Ų135105.1 Ų105.163%0.62553%0.528SS*.Hα-helixtrans-62.5-44.5179.2-167.5-49.3000111.6A322 V323 K328 H329 S330A322-H326 PolarHBondContact O-N 2.62Å; V323-H326 PolarHBondContact O-N 3.11Å; H326-K328 VanDerWaalsContact C-N 3.3Å; H326-K328 PolarHBondContact O-N 3.15Å; H326-H329 WeakPolarHBondContact O-CB 3.27Å; H326-H329 PolarHBondContact O-N 3.24Å; H326-H329 VanDerWaalsContact O-N 3.15Å; H326-S330 PolarHBondContact ND1-OG 3.08Å; H326-S330 PolarHBondContact O-N 2.85Å; H326-S330 PolarHBondContact O-OG 3.11Å; H326-S330 VanDerWaalsContact O-OG 3.1Å
327M64.4Low69.2Low109 Ų109104.9 Ų104.954%0.53752%0.524SS..Hα-helixtrans-64-36.3178.5-165.1172.473.900111.9V323 R325 S330 L331V323-M327 WeakPolarHBondContact O-CB 3.25Å; V323-M327 PolarHBondContact O-N 3.18Å; R325-M327 PolarHBondContact O-N 3.46Å; M327-S330 PolarHBondContact O-N 3.17Å; M327-L331 WeakPolarHBondContact O-CG 2.98Å; M327-L331 PolarHBondContact O-N 3.4Å
328K78.3Confident67.7Low134 Ų134105.8 Ų105.858%0.58352%0.52SS*.Hα-helixtrans-66.7-38.9172.5-170.6174.7-176.9178.90112.3H324 R325 H326 L331 N332H324-K328 WeakPolarHBondContact O-CB 3.21Å; H324-K328 PolarHBondContact O-N 3.03Å; R325-K328 PolarHBondContact O-N 2.94Å; H326-K328 VanDerWaalsContact C-N 3.3Å; H326-K328 PolarHBondContact O-N 3.15Å; K328-L331 PolarHBondContact O-N 3.43Å; K328-N332 WeakPolarHBondContact O-CB 3.46Å; K328-N332 VanDerWaalsContact O-CG 3.25Å; K328-N332 PolarHBondContact O-N 3.04Å; K328-N332 PolarHBondContact O-OD1 3.1Å
329H70.9Confident66.3Low133 Ų133103.2 Ų103.262%0.61651%0.51SS*.Hα-helixtrans-63.5-43.2174.9-155.1-94000111.6R325 H326 L331 N332 H333R325-H329 PolarHBondContact O-N 3.11Å; H326-H329 WeakPolarHBondContact O-CB 3.27Å; H326-H329 PolarHBondContact O-N 3.24Å; H326-H329 VanDerWaalsContact O-N 3.15Å; H329-L331 PolarHBondContact O-N 3.5Å; H329-N332 PolarHBondContact O-N 3.47Å; H329-H333 PolarHBondContact O-N 3.38Å
330S62.9Low65.3Low49 Ų49105.3 Ų105.334%0.34351%0.51SS..Hα-helixtrans-61.1-42.6174.6-55.60000112.5H326 M327 H333 I334H326-S330 PolarHBondContact ND1-OG 3.08Å; H326-S330 PolarHBondContact O-N 2.85Å; H326-S330 PolarHBondContact O-OG 3.11Å; H326-S330 VanDerWaalsContact O-OG 3.1Å; M327-S330 PolarHBondContact O-N 3.17Å; S330-H333 PolarHBondContact O-N 2.92Å; S330-I334 VanDerWaalsContact O-CG1 3.32Å; S330-I334 WeakPolarHBondContact O-CG1 3.45Å; S330-I334 PolarHBondContact O-N 3.3Å
331L68.4Low63.9Low103 Ų103104 Ų10454%0.53950%0.503SS..Hα-helixtrans-65.2-44.4175.8-73.3169000112.2M327 K328 H329 H333 I334 E335M327-L331 WeakPolarHBondContact O-CG 2.98Å; M327-L331 PolarHBondContact O-N 3.4Å; K328-L331 PolarHBondContact O-N 3.43Å; H329-L331 PolarHBondContact O-N 3.5Å; L331-H333 VanDerWaalsContact C-N 3.27Å; L331-H333 PolarHBondContact O-N 3.31Å; L331-I334 PolarHBondContact O-N 3.14Å; L331-E335 WeakPolarHBondContact O-CB 3.24Å; L331-E335 PolarHBondContact O-N 2.88Å
332N73.9Confident61.9Low84 Ų84105.2 Ų105.245%0.44950%0.502SS..Hα-helixtrans-59.5-37.8174.9-727.7000112K328 H329 E335 H336K328-N332 WeakPolarHBondContact O-CB 3.46Å; K328-N332 VanDerWaalsContact O-CG 3.25Å; K328-N332 PolarHBondContact O-N 3.04Å; K328-N332 PolarHBondContact O-OD1 3.1Å; H329-N332 PolarHBondContact O-N 3.47Å; N332-E335 PolarHBondContact O-N 3.3Å; N332-H336 WeakPolarHBondContact O-CB 3.26Å; N332-H336 PolarHBondContact O-N 3.08Å
333H63.3Low60.3Low102 Ų102110 Ų11047%0.47252%0.521SS..Hα-helixtrans-69.2-40.9177.4-172.6-122.2000111.9H329 S330 L331 H336 L337H329-H333 PolarHBondContact O-N 3.38Å; S330-H333 PolarHBondContact O-N 2.92Å; L331-H333 VanDerWaalsContact C-N 3.27Å; L331-H333 PolarHBondContact O-N 3.31Å; H333-H336 PolarHBondContact O-N 2.95Å; H333-L337 WeakPolarHBondContact O-CG 3.45Å; H333-L337 PolarHBondContact O-N 3.11Å
334I52.8Low59.1Low89 Ų89107 Ų10746%0.45651%0.505SS..Hα-helixtrans-62-44.5173-67.1162.6000110.6S330 L331 H336 L337 E338S330-I334 VanDerWaalsContact O-CG1 3.32Å; S330-I334 WeakPolarHBondContact O-CG1 3.45Å; S330-I334 PolarHBondContact O-N 3.3Å; L331-I334 PolarHBondContact O-N 3.14Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 3.46Å; I334-L337 PolarHBondContact O-N 2.97Å; I334-E338 PolarHBondContact O-N 3.48Å
335E67.9Low57.6Low114 Ų114106 Ų10653%0.53351%0.509SS..Hα-helixtrans-63.4-38.1175.8-178.8172.8-165.700112.1L331 N332 E338 N339L331-E335 WeakPolarHBondContact O-CB 3.24Å; L331-E335 PolarHBondContact O-N 2.88Å; N332-E335 PolarHBondContact O-N 3.3Å; E335-E338 PolarHBondContact O-N 3.19Å; E335-N339 WeakPolarHBondContact CG-ND2 3.28Å; E335-N339 VanDerWaalsContact O-CB 3.25Å; E335-N339 WeakPolarHBondContact O-CB 3.46Å; E335-N339 VanDerWaalsContact O-CG 3.25Å; E335-N339 PolarHBondContact O-N 3.21Å; E335-N339 PolarHBondContact O-ND2 2.98Å; E335-N339 VanDerWaalsContact O-ND2 3.16Å
336H62.8Low56Low100 Ų100106 Ų10646%0.46351%0.509SS..Hα-helixtrans-64.2-40.6173.7-178.173.4000112.2N332 H333 I334 N339 R340N332-H336 WeakPolarHBondContact O-CB 3.26Å; N332-H336 PolarHBondContact O-N 3.08Å; H333-H336 PolarHBondContact O-N 2.95Å; I334-H336 VanDerWaalsContact C-N 3.34Å; I334-H336 PolarHBondContact O-N 3.46Å; H336-N339 PolarHBondContact O-N 2.86Å; H336-R340 WeakPolarHBondContact NE2-CD 3.21Å; H336-R340 WeakPolarHBondContact O-CB 3.47Å; H336-R340 WeakPolarHBondContact O-CG 3.23Å; H336-R340 PolarHBondContact O-N 3.39Å
337L46.4Very low54.8Low79 Ų79104.5 Ų104.541%0.41450%0.504SS..Hα-helixtrans-66.9-46.6175-69.8170.1000111.7H333 I334 N339 R340 I341H333-L337 WeakPolarHBondContact O-CG 3.45Å; H333-L337 PolarHBondContact O-N 3.11Å; I334-L337 PolarHBondContact O-N 2.97Å; L337-N339 VanDerWaalsContact C-N 3.29Å; L337-N339 PolarHBondContact O-N 3.32Å; L337-R340 PolarHBondContact O-N 3Å; L337-I341 WeakPolarHBondContact O-CD1 3.48Å; L337-I341 VanDerWaalsContact O-CG1 3.29Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-I341 PolarHBondContact O-N 3.42Å
338E46.5Very low54.3Low86 Ų86102 Ų10240%0.40250%0.495SS..Hα-helixtrans-57.2-42.7173.3-78.5-164.5-166.400111.8I334 E335 I341 R342I334-E338 PolarHBondContact O-N 3.48Å; E335-E338 PolarHBondContact O-N 3.19Å; E338-I341 PolarHBondContact O-N 2.89Å; E338-R342 WeakPolarHBondContact O-CB 3.22Å; E338-R342 WeakPolarHBondContact O-CG 3.33Å; E338-R342 PolarHBondContact O-N 3.5Å; E338-R342 IonicContact OE2-CZ 3.2Å; E338-R342 IonicContact OE2-NH1 3.3Å; E338-R342 PolarHBondContact OE2-NH1 3.02Å; E338-R342 IonicContact OE2-NH2 3.72Å; E338-R342 PolarHBondContact OE2-NH2 2.95Å
339N50Low53.4Low60 Ų60103 Ų10332%0.32150%0.496SS..Hα-helixtrans-71.9-35.9179.2-73-30.8000112.2E335 H336 L337 I341 R342 L343E335-N339 WeakPolarHBondContact CG-ND2 3.28Å; E335-N339 VanDerWaalsContact O-CB 3.25Å; E335-N339 WeakPolarHBondContact O-CB 3.46Å; E335-N339 VanDerWaalsContact O-CG 3.25Å; E335-N339 PolarHBondContact O-N 3.21Å; E335-N339 PolarHBondContact O-ND2 2.98Å; E335-N339 VanDerWaalsContact O-ND2 3.16Å; H336-N339 PolarHBondContact O-N 2.86Å; L337-N339 VanDerWaalsContact C-N 3.29Å; L337-N339 PolarHBondContact O-N 3.32Å; N339-I341 VanDerWaalsContact C-N 3.3Å; N339-I341 PolarHBondContact O-N 3.12Å; N339-R342 PolarHBondContact O-N 3.48Å; N339-L343 HydrophobicContact CB-CD1 4.46Å; N339-L343 WeakPolarHBondContact O-CB 3.43Å; N339-L343 WeakPolarHBondContact O-CD1 3.45Å; N339-L343 WeakPolarHBondContact O-CG 3.37Å; N339-L343 PolarHBondContact O-N 3.4Å
340R46.5Very low52.7Low162 Ų16299.5 Ų99.561%0.61148%0.48SS*.Hα-helixtrans-62.4-35.8170.3-81.5-176.566.61621112.5H336 L337H336-R340 WeakPolarHBondContact NE2-CD 3.21Å; H336-R340 WeakPolarHBondContact O-CB 3.47Å; H336-R340 WeakPolarHBondContact O-CG 3.23Å; H336-R340 PolarHBondContact O-N 3.39Å; L337-R340 PolarHBondContact O-N 3Å
341I40.8Very low52.1Low99 Ų99103 Ų10351%0.50849%0.492SS..Hα-helixtrans-69-42174.6-66.8163000110.8L337 E338 N339L337-I341 WeakPolarHBondContact O-CD1 3.48Å; L337-I341 VanDerWaalsContact O-CG1 3.29Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-I341 PolarHBondContact O-N 3.42Å; E338-I341 PolarHBondContact O-N 2.89Å; N339-I341 VanDerWaalsContact C-N 3.3Å; N339-I341 PolarHBondContact O-N 3.12Å
342R41.3Very low51.8Low147 Ų147101.2 Ų101.256%0.55549%0.487SS*.Hα-helixtrans-74-29.2178.7-71.6176.1-176130.912.4114.6E338 N339 S344 T348E338-R342 WeakPolarHBondContact O-CB 3.22Å; E338-R342 WeakPolarHBondContact O-CG 3.33Å; E338-R342 PolarHBondContact O-N 3.5Å; E338-R342 IonicContact OE2-CZ 3.2Å; E338-R342 IonicContact OE2-NH1 3.3Å; E338-R342 PolarHBondContact OE2-NH1 3.02Å; E338-R342 IonicContact OE2-NH2 3.72Å; E338-R342 PolarHBondContact OE2-NH2 2.95Å; N339-R342 PolarHBondContact O-N 3.48Å; R342-S344 PolarHBondContact O-N 3.43Å; R342-S344 VanDerWaalsContact O-N 3.17Å; R342-T348 PolarHBondContact O-OG1 2.69Å
343L35.9Very low52Low142 Ų142102.1 Ų102.174%0.74349%0.485SS*.THydrogen-bonded Turntrans-77.24.9-171.7-81.5168.2000115.1N339 P345N339-L343 HydrophobicContact CB-CD1 4.46Å; N339-L343 WeakPolarHBondContact O-CB 3.43Å; N339-L343 WeakPolarHBondContact O-CD1 3.45Å; N339-L343 WeakPolarHBondContact O-CG 3.37Å; N339-L343 PolarHBondContact O-N 3.4Å; L343-P345 WeakPolarHBondContact O-CD 3.41Å
344S44.3Very low52.1Low33 Ų33102 Ų10223%0.23149%0.487CS..  trans-103.4109.6162.4123.90000109.5R342 R346 M347 T348R342-S344 PolarHBondContact O-N 3.43Å; R342-S344 VanDerWaalsContact O-N 3.17Å; S344-R346 PolarHBondContact O-N 3.29Å; S344-M347 VanDerWaalsContact OG-CB 3.23Å; S344-M347 WeakPolarHBondContact OG-CB 3.5Å; S344-M347 VanDerWaalsContact OG-CG 3.32Å; S344-M347 WeakPolarHBondContact OG-CG 3.34Å; S344-M347 PolarHBondContact OG-N 3.44Å; S344-T348 PolarHBondContact O-N 2.72Å; S344-T348 VanDerWaalsContact O-N 3.13Å; S344-T348 PolarHBondContact O-OG1 2.99Å
345P44.8Very low53.1Low106 Ų106103.4 Ų103.469%0.68849%0.489SS*.Hα-helixtrans-59.2-31.9172.7-26.635.7000112.5L343 T348 Y349L343-P345 WeakPolarHBondContact O-CD 3.41Å; P345-T348 PolarHBondContact O-N 2.93Å; P345-Y349 VanDerWaalsContact O-CB 3.31Å; P345-Y349 WeakPolarHBondContact O-CB 3.33Å; P345-Y349 PolarHBondContact O-N 3.22Å
346R45.5Very low53.7Low160 Ų160102.3 Ų102.360%0.60449%0.487SS*.Hα-helixtrans-68.6-47.1-178.2-156174.6-171.3-179.62.4112.4E28 S344 T348 Y349 E350E28-R346 IonicContact OE1-NH2 3.61Å; E28-R346 PolarHBondContact OE1-NH2 2.71Å; S344-R346 PolarHBondContact O-N 3.29Å; R346-T348 VanDerWaalsContact C-N 3.34Å; R346-T348 PolarHBondContact O-N 2.73Å; R346-Y349 PolarHBondContact O-N 3.42Å; R346-E350 PolarHBondContact O-N 3.49Å
347M44.2Very low54.6Low104 Ų104101.5 Ų101.551%0.51248%0.484SS..Hα-helixtrans-66-35.5171.9-66.9-168.7-64.800112.3S344 Y349 E350 M351S344-M347 VanDerWaalsContact OG-CB 3.23Å; S344-M347 WeakPolarHBondContact OG-CB 3.5Å; S344-M347 VanDerWaalsContact OG-CG 3.32Å; S344-M347 WeakPolarHBondContact OG-CG 3.34Å; S344-M347 PolarHBondContact OG-N 3.44Å; M347-Y349 VanDerWaalsContact C-N 3.35Å; M347-E350 PolarHBondContact O-N 2.84Å; M347-M351 WeakPolarHBondContact O-CB 3.46Å; M347-M351 WeakPolarHBondContact O-CG 3.37Å; M347-M351 PolarHBondContact O-N 3.24Å
348T52.7Low56.1Low57 Ų57104.8 Ų104.835%0.3549%0.494SS..Hα-helixtrans-65.4-40.8177.6-53.50000111.1R342 S344 P345 R346 C352R342-T348 PolarHBondContact O-OG1 2.69Å; S344-T348 PolarHBondContact O-N 2.72Å; S344-T348 VanDerWaalsContact O-N 3.13Å; S344-T348 PolarHBondContact O-OG1 2.99Å; P345-T348 PolarHBondContact O-N 2.93Å; R346-T348 VanDerWaalsContact C-N 3.34Å; R346-T348 PolarHBondContact O-N 2.73Å; T348-C352 PolarHBondContact O-N 3.32Å; T348-C352 PolarHBondContact O-SG 3.08Å; T348-C352 VanDerWaalsContact O-SG 3.38Å
349Y59.9Low57.8Low155 Ų155104 Ų10461%0.60849%0.491SS*.Hα-helixtrans-62.5-48.6172.8-178.8-95.6000111.9P345 R346 M347 M351 C352 R353P345-Y349 VanDerWaalsContact O-CB 3.31Å; P345-Y349 WeakPolarHBondContact O-CB 3.33Å; P345-Y349 PolarHBondContact O-N 3.22Å; R346-Y349 PolarHBondContact O-N 3.42Å; M347-Y349 VanDerWaalsContact C-N 3.35Å; Y349-M351 PolarHBondContact O-N 2.92Å; Y349-C352 WeakPolarHBondContact O-CB 3.43Å; Y349-C352 PolarHBondContact O-N 3.33Å; Y349-R353 WeakPolarHBondContact O-CB 3.33Å; Y349-R353 PolarHBondContact O-N 2.9Å
350E55.2Low59.4Low59 Ų59103.6 Ų103.628%0.27649%0.493SS..Hα-helixtrans-64.4-39.5177.7-74.3-58.5140.500112.9R346 M347 C352 R353 I354R346-E350 PolarHBondContact O-N 3.49Å; M347-E350 PolarHBondContact O-N 2.84Å; E350-C352 VanDerWaalsContact C-N 3.33Å; E350-C352 PolarHBondContact O-N 2.98Å; E350-R353 PolarHBondContact O-N 2.97Å; E350-R353 IonicContact OE1-CZ 3.72Å; E350-R353 IonicContact OE1-NE 3.23Å; E350-R353 PolarHBondContact OE1-NE 3.39Å; E350-R353 IonicContact OE1-NH2 3.7Å; E350-R353 PolarHBondContact OE1-NH2 2.94Å; E350-R353 IonicContact OE2-CZ 3.32Å; E350-R353 IonicContact OE2-NE 3.24Å; E350-R353 PolarHBondContact OE2-NE 3.42Å; E350-R353 IonicContact OE2-NH2 2.71Å; E350-R353 PolarHBondContact OE2-NH2 3.35Å; E350-I354 WeakPolarHBondContact O-CB 3.43Å; E350-I354 VanDerWaalsContact O-CG1 3.25Å; E350-I354 WeakPolarHBondContact O-CG1 3.16Å; E350-I354 PolarHBondContact O-N 2.96Å
351M51.1Low60.8Low121 Ų121101.3 Ų101.360%0.59649%0.492SS*.Hα-helixtrans-61.8-39.7173-78.9175.255.600112.1M347 Y349 K355M347-M351 WeakPolarHBondContact O-CB 3.46Å; M347-M351 WeakPolarHBondContact O-CG 3.37Å; M347-M351 PolarHBondContact O-N 3.24Å; Y349-M351 PolarHBondContact O-N 2.92Å; M351-K355 WeakPolarHBondContact O-CB 3.41Å; M351-K355 PolarHBondContact O-N 3.25Å
352C61.4Low62.4Low66 Ų6698.9 Ų98.945%0.44649%0.487SS..Hα-helixtrans-65.2-46.4172.1-73.70000111.5T348 Y349 E350 I354 K355 D356T348-C352 PolarHBondContact O-N 3.32Å; T348-C352 PolarHBondContact O-SG 3.08Å; T348-C352 VanDerWaalsContact O-SG 3.38Å; Y349-C352 WeakPolarHBondContact O-CB 3.43Å; Y349-C352 PolarHBondContact O-N 3.33Å; E350-C352 VanDerWaalsContact C-N 3.33Å; E350-C352 PolarHBondContact O-N 2.98Å; C352-I354 PolarHBondContact O-N 3.49Å; C352-K355 WeakPolarHBondContact O-CB 3.44Å; C352-K355 PolarHBondContact O-N 3.21Å; C352-D356 WeakPolarHBondContact O-CB 3.11Å; C352-D356 PolarHBondContact O-N 3.44Å
353R79.2Confident64.6Low104 Ų10499.3 Ų99.339%0.39249%0.489SS..Hα-helixtrans-59.4-49.2178.9-170.3172.172.899.5-11.3112.1Y349 E350 K355 D356 E357Y349-R353 WeakPolarHBondContact O-CB 3.33Å; Y349-R353 PolarHBondContact O-N 2.9Å; E350-R353 PolarHBondContact O-N 2.97Å; E350-R353 IonicContact OE1-CZ 3.72Å; E350-R353 IonicContact OE1-NE 3.23Å; E350-R353 PolarHBondContact OE1-NE 3.39Å; E350-R353 IonicContact OE1-NH2 3.7Å; E350-R353 PolarHBondContact OE1-NH2 2.94Å; E350-R353 IonicContact OE2-CZ 3.32Å; E350-R353 IonicContact OE2-NE 3.24Å; E350-R353 PolarHBondContact OE2-NE 3.42Å; E350-R353 IonicContact OE2-NH2 2.71Å; E350-R353 PolarHBondContact OE2-NH2 3.35Å; R353-K355 VanDerWaalsContact C-N 3.31Å; R353-K355 PolarHBondContact O-N 3.37Å; R353-D356 PolarHBondContact O-N 3.3Å; R353-E357 IonicContact NH1-OE1 3.18Å; R353-E357 PolarHBondContact NH1-OE1 3.36Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 WeakPolarHBondContact O-CG 3.28Å; R353-E357 PolarHBondContact O-N 3.19Å
354I64.2Low66.9Low100 Ų10098.2 Ų98.251%0.51348%0.48SS..Hα-helixtrans-63.3-37.4177-67.3165.2000110.9E350 C352 K358E350-I354 WeakPolarHBondContact O-CB 3.43Å; E350-I354 VanDerWaalsContact O-CG1 3.25Å; E350-I354 WeakPolarHBondContact O-CG1 3.16Å; E350-I354 PolarHBondContact O-N 2.96Å; C352-I354 PolarHBondContact O-N 3.49Å; I354-K358 VanDerWaalsContact O-CB 3.27Å; I354-K358 WeakPolarHBondContact O-CB 3.45Å; I354-K358 PolarHBondContact O-N 3.16Å
355K74.2Confident68.2Low117 Ų117107 Ų10751%0.50951%0.508SS..Hα-helixtrans-66.2-44.4174.9-174.9-168.2171.7-136.80111.7M351 C352 R353 K358 E359M351-K355 WeakPolarHBondContact O-CB 3.41Å; M351-K355 PolarHBondContact O-N 3.25Å; C352-K355 WeakPolarHBondContact O-CB 3.44Å; C352-K355 PolarHBondContact O-N 3.21Å; R353-K355 VanDerWaalsContact C-N 3.31Å; R353-K355 PolarHBondContact O-N 3.37Å; K355-K358 PolarHBondContact O-N 3.48Å; K355-E359 WeakPolarHBondContact CE-OE1 3.18Å; K355-E359 IonicContact NZ-OE1 2.84Å; K355-E359 PolarHBondContact NZ-OE1 3.41Å; K355-E359 PolarHBondContact O-N 3.29Å
356D81.5Confident69.8Low91 Ų91107.2 Ų107.249%0.48750%0.503SS..Hα-helixtrans-70.2-35.9179.7-73.2-24.5000112.1C352 R353 E359 S360C352-D356 WeakPolarHBondContact O-CB 3.11Å; C352-D356 PolarHBondContact O-N 3.44Å; R353-D356 PolarHBondContact O-N 3.3Å; D356-E359 PolarHBondContact O-N 2.91Å; D356-S360 VanDerWaalsContact O-CB 3.23Å; D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 3.21Å
357E81.8Confident71.5Confident84 Ų84102 Ų10239%0.39349%0.494SS..Hα-helixtrans-61-45168.3-75.2-174.5-170.300111R353 S360 L361R353-E357 IonicContact NH1-OE1 3.18Å; R353-E357 PolarHBondContact NH1-OE1 3.36Å; R353-E357 WeakPolarHBondContact O-CB 3.5Å; R353-E357 WeakPolarHBondContact O-CG 3.28Å; R353-E357 PolarHBondContact O-N 3.19Å; E357-S360 WeakPolarHBondContact O-CB 3.22Å; E357-S360 PolarHBondContact O-N 2.94Å; E357-L361 WeakPolarHBondContact O-CG 3.45Å; E357-L361 PolarHBondContact O-N 2.85Å
358K76.9Confident73.1Confident147 Ų14799.7 Ų99.764%0.63949%0.492SS*.Hα-helixtrans-64.9-40.4176.9-171.8173-176.1172.90112.7I354 K355 A362I354-K358 VanDerWaalsContact O-CB 3.27Å; I354-K358 WeakPolarHBondContact O-CB 3.45Å; I354-K358 PolarHBondContact O-N 3.16Å; K355-K358 PolarHBondContact O-N 3.48Å; K358-A362 WeakPolarHBondContact O-CB 3.01Å; K358-A362 PolarHBondContact O-N 3.16Å
359E83.2Confident74.1Confident70 Ų7099.5 Ų99.533%0.32750%0.496SS..Hα-helixtrans-67.8-38.6173-76.7-163.2-147.900111.9K355 D356 A362 R363K355-E359 WeakPolarHBondContact CE-OE1 3.18Å; K355-E359 IonicContact NZ-OE1 2.84Å; K355-E359 PolarHBondContact NZ-OE1 3.41Å; K355-E359 PolarHBondContact O-N 3.29Å; D356-E359 PolarHBondContact O-N 2.91Å; E359-A362 PolarHBondContact O-N 3.19Å; E359-R363 WeakPolarHBondContact O-CB 3.48Å; E359-R363 WeakPolarHBondContact O-CG 3.14Å; E359-R363 PolarHBondContact O-N 3.2Å; E359-R363 IonicContact OE2-CZ 2.71Å; E359-R363 IonicContact OE2-NE 2.65Å; E359-R363 IonicContact OE2-NH2 3.96Å; E359-R363 PolarHBondContact OE2-NH2 2.94Å
360S82.5Confident74.9Confident52 Ų5295.5 Ų95.536%0.36449%0.49SS..Hα-helixtrans-60.3-49.3174.2-179.70000111.4D356 E357 A362 R363 Q364D356-S360 VanDerWaalsContact O-CB 3.23Å; D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 3.21Å; E357-S360 WeakPolarHBondContact O-CB 3.22Å; E357-S360 PolarHBondContact O-N 2.94Å; S360-A362 PolarHBondContact O-N 2.9Å; S360-R363 PolarHBondContact O-N 3.1Å; S360-Q364 VanDerWaalsContact O-CG 3.32Å; S360-Q364 WeakPolarHBondContact O-CG 3.41Å; S360-Q364 PolarHBondContact O-N 3.46Å; S360-Q364 PolarHBondContact OG-NE2 2.78Å; S360-Q364 VanDerWaalsContact OG-NE2 3.17Å
361L75.3Confident75.8Confident114 Ų114100.1 Ų100.160%0.59751%0.51SS*.Hα-helixtrans-59.7-44.1175.6-71.6168.7000111.5E357 R363 Q364 W365E357-L361 WeakPolarHBondContact O-CG 3.45Å; E357-L361 PolarHBondContact O-N 2.85Å; L361-R363 PolarHBondContact O-N 3.43Å; L361-Q364 PolarHBondContact O-N 2.83Å; L361-W365 PolarHBondContact O-N 3.27Å
362A76.1Confident76.6Confident48 Ų4899 Ų9940%0.39750%0.503SS..Hα-helixtrans-62.4-39.7175.700000112.7K358 E359 S360 N366K358-A362 WeakPolarHBondContact O-CB 3.01Å; K358-A362 PolarHBondContact O-N 3.16Å; E359-A362 PolarHBondContact O-N 3.19Å; S360-A362 PolarHBondContact O-N 2.9Å; A362-N366 WeakPolarHBondContact O-CB 3.37Å; A362-N366 PolarHBondContact O-N 2.93Å; A362-N366 PolarHBondContact O-ND2 3.46Å
363R87.7Confident76.4Confident156 Ų156101.4 Ų101.459%0.58951%0.511SS*.Hα-helixtrans-65.2-41.9174.4-68.5165.2-159.2-1799.5111.1E359 S360 L361 N366 A367E359-R363 WeakPolarHBondContact O-CB 3.48Å; E359-R363 WeakPolarHBondContact O-CG 3.14Å; E359-R363 PolarHBondContact O-N 3.2Å; E359-R363 IonicContact OE2-CZ 2.71Å; E359-R363 IonicContact OE2-NE 2.65Å; E359-R363 IonicContact OE2-NH2 3.96Å; E359-R363 PolarHBondContact OE2-NH2 2.94Å; S360-R363 PolarHBondContact O-N 3.1Å; L361-R363 PolarHBondContact O-N 3.43Å; R363-N366 PolarHBondContact O-N 3.17Å; R363-A367 VanDerWaalsContact O-CB 3.32Å; R363-A367 WeakPolarHBondContact O-CB 3.37Å; R363-A367 PolarHBondContact O-N 3.2Å
364Q83.8Confident75.5Confident119 Ų11999.5 Ų99.556%0.55651%0.514SS*.Hα-helixtrans-63.1-44.6176.1-71.3176.656.300112.3S360 L361 A367 A368S360-Q364 VanDerWaalsContact O-CG 3.32Å; S360-Q364 WeakPolarHBondContact O-CG 3.41Å; S360-Q364 PolarHBondContact O-N 3.46Å; S360-Q364 PolarHBondContact OG-NE2 2.78Å; S360-Q364 VanDerWaalsContact OG-NE2 3.17Å; L361-Q364 PolarHBondContact O-N 2.83Å; Q364-A367 PolarHBondContact O-N 3.47Å; Q364-A368 WeakPolarHBondContact O-CB 3.31Å; Q364-A368 PolarHBondContact O-N 3.22Å
365W70.8Confident75.1Confident218 Ų21898.2 Ų98.283%0.82651%0.513SS*.Hα-helixtrans-63.5-44.5177.9-13037.7000111.7L361 A367 A368 A369L361-W365 PolarHBondContact O-N 3.27Å; W365-A367 VanDerWaalsContact C-N 3.33Å; W365-A367 PolarHBondContact O-N 2.94Å; W365-A368 PolarHBondContact O-N 3.07Å; W365-A369 WeakPolarHBondContact O-CB 3.44Å; W365-A369 PolarHBondContact O-N 2.98Å
366N78.7Confident73.8Confident109 Ų10999.2 Ų99.258%0.58351%0.514SS*.Hα-helixtrans-63.9-36.2174.1-78.9-65000112.6A362 R363 S370A362-N366 WeakPolarHBondContact O-CB 3.37Å; A362-N366 PolarHBondContact O-N 2.93Å; A362-N366 PolarHBondContact O-ND2 3.46Å; R363-N366 PolarHBondContact O-N 3.17Å; N366-S370 VanDerWaalsContact O-CB 3.22Å; N366-S370 WeakPolarHBondContact O-CB 3.4Å; N366-S370 PolarHBondContact O-N 3.47Å; N366-S370 PolarHBondContact O-OG 3.42Å
367A81.7Confident72.2Confident51 Ų51105.2 Ų105.242%0.42153%0.529SS..Hα-helixtrans-69.2-37.1174.900000112.5R363 Q364 W365 S370 K371R363-A367 VanDerWaalsContact O-CB 3.32Å; R363-A367 WeakPolarHBondContact O-CB 3.37Å; R363-A367 PolarHBondContact O-N 3.2Å; Q364-A367 PolarHBondContact O-N 3.47Å; W365-A367 VanDerWaalsContact C-N 3.33Å; W365-A367 PolarHBondContact O-N 2.94Å; A367-S370 PolarHBondContact O-N 3.3Å; A367-K371 WeakPolarHBondContact O-CB 3.4Å; A367-K371 WeakPolarHBondContact O-CG 3.32Å; A367-K371 PolarHBondContact O-N 3.45Å
368A78.2Confident70.4Confident56 Ų56110.1 Ų110.146%0.46355%0.55SS..Hα-helixtrans-65.4-49.9173.900000111.4Q364 W365 S370 K371 E372Q364-A368 WeakPolarHBondContact O-CB 3.31Å; Q364-A368 PolarHBondContact O-N 3.22Å; W365-A368 PolarHBondContact O-N 3.07Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 3.44Å; A368-K371 WeakPolarHBondContact O-CB 2.99Å; A368-K371 PolarHBondContact O-N 3.41Å; A368-K371 VanDerWaalsContact O-N 3.15Å; A368-E372 PolarHBondContact O-N 3.19Å
369A73.3Confident68.7Low52 Ų52106 Ų10643%0.4355%0.549SS..Hα-helixtrans-58.8-40.3174.900000112.1W365 E372 L373W365-A369 WeakPolarHBondContact O-CB 3.44Å; W365-A369 PolarHBondContact O-N 2.98Å; A369-E372 PolarHBondContact O-N 3.17Å; A369-L373 WeakPolarHBondContact O-CB 3.25Å; A369-L373 WeakPolarHBondContact O-CG 3.41Å; A369-L373 PolarHBondContact O-N 3.34Å
370S76.5Confident66.2Low71 Ų71112.1 Ų112.150%0.49758%0.575SS.*Hα-helixtrans-66.2-39.5175.4-62.40000112.6N366 A367 A368 L373 S374N366-S370 VanDerWaalsContact O-CB 3.22Å; N366-S370 WeakPolarHBondContact O-CB 3.4Å; N366-S370 PolarHBondContact O-N 3.47Å; N366-S370 PolarHBondContact O-OG 3.42Å; A367-S370 PolarHBondContact O-N 3.3Å; A368-S370 VanDerWaalsContact C-N 3.29Å; A368-S370 PolarHBondContact O-N 3.44Å; S370-L373 PolarHBondContact O-N 2.96Å; S370-S374 WeakPolarHBondContact O-CB 3.42Å; S370-S374 PolarHBondContact O-N 3.18Å
371K74Confident63.8Low156 Ų156114.5 Ų114.568%0.67859%0.592SS**Hα-helixtrans-60.4-46172.7-84.6179.7177.2175.60111A367 A368 S374 S375A367-K371 WeakPolarHBondContact O-CB 3.4Å; A367-K371 WeakPolarHBondContact O-CG 3.32Å; A367-K371 PolarHBondContact O-N 3.45Å; A368-K371 WeakPolarHBondContact O-CB 2.99Å; A368-K371 PolarHBondContact O-N 3.41Å; A368-K371 VanDerWaalsContact O-N 3.15Å; K371-S374 PolarHBondContact O-N 2.88Å; K371-S374 PolarHBondContact O-OG 3.31Å; K371-S375 PolarHBondContact O-N 3.18Å
372E67.5Low61.8Low99 Ų99113.6 Ų113.646%0.46360%0.595SS.*Hα-helixtrans-68.5-39.3178.9-169.2173155.900113A368 A369 S374 S375 R376A368-E372 PolarHBondContact O-N 3.19Å; A369-E372 PolarHBondContact O-N 3.17Å; E372-S374 PolarHBondContact O-N 2.76Å; E372-S375 PolarHBondContact O-N 3.46Å; E372-S375 PolarHBondContact O-OG 3.26Å; E372-R376 HydrophobicContact CG-CG 4.41Å; E372-R376 WeakPolarHBondContact O-CB 3.49Å; E372-R376 WeakPolarHBondContact O-CG 3.25Å; E372-R376 PolarHBondContact O-N 3.1Å; E372-R376 IonicContact OE1-CZ 3.37Å; E372-R376 IonicContact OE1-NE 3.19Å; E372-R376 PolarHBondContact OE1-NE 3.15Å; E372-R376 IonicContact OE1-NH2 2.91Å; E372-R376 PolarHBondContact OE1-NH2 3.2Å
373L56.9Low59.6Low116 Ų116121 Ų12161%0.60762%0.618SS**Hα-helixtrans-61-35.2171.4-74.8167.5000112A369 S370 R377A369-L373 WeakPolarHBondContact O-CB 3.25Å; A369-L373 WeakPolarHBondContact O-CG 3.41Å; A369-L373 PolarHBondContact O-N 3.34Å; S370-L373 PolarHBondContact O-N 2.96Å; L373-R377 PolarHBondContact O-N 2.82Å
374S60.6Low56.8Low64 Ų64118.2 Ų118.245%0.44863%0.628SS.*Hα-helixtrans-71.5-37.9176.383.70000113.1S370 K371 E372 R377 K378S370-S374 WeakPolarHBondContact O-CB 3.42Å; S370-S374 PolarHBondContact O-N 3.18Å; K371-S374 PolarHBondContact O-N 2.88Å; K371-S374 PolarHBondContact O-OG 3.31Å; E372-S374 PolarHBondContact O-N 2.76Å; S374-R377 PolarHBondContact O-N 3.07Å; S374-K378 PolarHBondContact O-N 3.03Å; S374-K378 VanDerWaalsContact O-N 3.09Å
375S55.3Low54Low72 Ų72116.3 Ų116.350%0.50363%0.633SS.*Hα-helixtrans-69.3-42.5176.668.30000110.7K371 E372 R377 K378 G379K371-S375 PolarHBondContact O-N 3.18Å; E372-S375 PolarHBondContact O-N 3.46Å; E372-S375 PolarHBondContact O-OG 3.26Å; S375-R377 VanDerWaalsContact C-N 3.34Å; S375-R377 PolarHBondContact O-N 3Å; S375-K378 PolarHBondContact O-N 3.22Å; S375-G379 PolarHBondContact O-N 3.1Å
376R48.4Very low52Low139 Ų139112.9 Ų112.953%0.52563%0.631SS.*Hα-helixtrans-60-39.6172.4-70.5176.5-179.7-122.94.2112.1E372 G379E372-R376 HydrophobicContact CG-CG 4.41Å; E372-R376 WeakPolarHBondContact O-CB 3.49Å; E372-R376 WeakPolarHBondContact O-CG 3.25Å; E372-R376 PolarHBondContact O-N 3.1Å; E372-R376 IonicContact OE1-CZ 3.37Å; E372-R376 IonicContact OE1-NE 3.19Å; E372-R376 PolarHBondContact OE1-NE 3.15Å; E372-R376 IonicContact OE1-NH2 2.91Å; E372-R376 PolarHBondContact OE1-NH2 3.2Å; R376-G379 PolarHBondContact O-N 2.76Å
377R46.7Very low49.7Very low216 Ų216116.5 Ų116.582%0.81564%0.644SS**Hα-helixtrans-65.8-36.1174-84.3-168.6177.4-166.91.6113.6L373 S374 S375 G379 F380L373-R377 PolarHBondContact O-N 2.82Å; S374-R377 PolarHBondContact O-N 3.07Å; S375-R377 VanDerWaalsContact C-N 3.34Å; S375-R377 PolarHBondContact O-N 3Å; R377-G379 PolarHBondContact O-N 3.25Å; R377-F380 PolarHBondContact O-N 3.33Å
378K45.5Very low46.8Very low188 Ų188123 Ų12382%0.81766%0.663SS**Hα-helixtrans-69.1-10.9176-76.6-173.8175.1-178.10113.9S374 S375S374-K378 PolarHBondContact O-N 3.03Å; S374-K378 VanDerWaalsContact O-N 3.09Å; S375-K378 PolarHBondContact O-N 3.22Å
379G40.6Very low44.2Very low61 Ų61128.9 Ų128.963%0.62968%0.678SS**THydrogen-bonded Turntrans-78.6-13.8174.900000115.8S375 R376 R377S375-G379 PolarHBondContact O-N 3.1Å; R376-G379 PolarHBondContact O-N 2.76Å; R377-G379 PolarHBondContact O-N 3.25Å
380F31.4Very low42.1Very low197 Ų197134.5 Ų134.586%0.86470%0.701SS**  trans-113.978.7-175-77.6-83.9000112.5R377R377-F380 PolarHBondContact O-N 3.33Å
381S30.7Very low39.5Very low103 Ų103136.3 Ų136.372%0.7271%0.714SS**  trans-141.1125.4169.4-172.30000112.9
382S33.3Very low37.1Very low94 Ų94133.9 Ų133.966%0.65771%0.712SS**  trans70.9140.2170.384.50000118.6
383K29.7Very low34.9Very low203 Ų203139.3 Ų139.388%0.88373%0.728SS**  trans65.8125.8160.6-59.7170.2-174.8176.90116.4
384A28.7Very low33.3Very low98 Ų98144.8 Ų144.881%0.8174%0.741SS**  cis-152.8154.41.600000111.6
385A25.8Very low31.6Very low79 Ų79145.3 Ų145.365%0.65376%0.756SS**  trans-81.7-179.4157.400000110
386D28.7Very low30Very low147 Ų147151.8 Ų151.879%0.78678%0.778SS**  trans6286.1162.8-49.7-35.2000117.6
387H29.7Very low29.1Very low184 Ų184149 Ų14985%0.85279%0.792SS**  -160.8129.691.8-123.7-88.1000113.4
388F21.4Very low28Very low189 Ų189148.5 Ų148.583%0.82980%0.796SS**  trans-98.7153.1169.2-129.6-93.5000109.8
389K24.4Very low27.2Very low178 Ų178147.6 Ų147.677%0.77480%0.798SS**  trans64.5115.3176.5-50.4173.7-175.8171.60113.6
390N28.4Very low26.9Very low171 Ų171149.9 Ų149.991%0.91480%0.802SS**  -140.7163.983.4-101.4-29.4000114.3
391S22.4Very low26.4Very low109 Ų109145.3 Ų145.376%0.76280%0.795SS**  trans-132.5-169.8-178.6-177.70000109.4
392V23.3Very low26Very low104 Ų104145.6 Ų145.663%0.6380%0.796SS**  trans90.896.9161.5-170.40000117.4
393R21.6Very low25.8Very low213 Ų213148.3 Ų148.380%0.80481%0.809SS**  trans73.6163.7145.5-63.3171.9-173.9163.6-0.9116
394R22.9Very low25.4Very low232 Ų232143.8 Ų143.888%0.87580%0.803SS**  cis-156.5165.29.6-141.9165.5-166.9173.30.6110.7
395G24.1Very low25.4Very low75 Ų75147.1 Ų147.177%0.77381%0.807SS**  trans109.4114.5150.300000117.5
396H22.7Very low25.2Very low207 Ų207151.3 Ų151.396%0.95882%0.815SS**  trans-94.6153.1159.8-85.5-87.5000110.1
397G28.6Very low25Very low80 Ų80151.1 Ų151.183%0.82581%0.814SS**  trans-148.6132.616200000110.5
398K24.3Very low24.6Very low207 Ų207152.1 Ų152.190%0.982%0.819SS**  trans-118.7136.5170.6-74.3-176.9176.4-177.30108.3
399I27.7Very low24.9Very low168 Ų168149.3 Ų149.386%0.86282%0.817SS**  trans-139.8145156.6-61.5-174.3000107.5
400P36.2Very low24.8Very low110 Ų110146.3 Ų146.371%0.71482%0.819SS**  trans-122.7-167-168.442.8-28.2000115.1
401S21Very low24.4Very low101 Ų101143.7 Ų143.771%0.70681%0.813SS**  trans78122.8149.153.50000122.3
402S22Very low24.4Very low108 Ų108147.6 Ų147.676%0.75582%0.816SS**  trans61.8122.3136.562.60000122.1
403T29.3Very low24.4Very low151 Ų151148.4 Ų148.493%0.92682%0.821SS**  -152.7150.6124.52.90000109.5
404S21.2Very low24.6Very low108 Ų108144.3 Ų144.376%0.75582%0.822SS**  trans-119.7155.5-179.153.50000110.3
405L28.1Very low24.5Very low169 Ų169138.4 Ų138.489%0.88582%0.815SS**  trans-161.5144.6149-107.7153.4000109.7
406M21.1Very low24.6Very low166 Ų166138.7 Ų138.782%0.81882%0.818SS**  trans-97.7162.3169-74176.315100109.2
407D24.8Very low24.6Very low144 Ų144132.3 Ų132.377%0.7779%0.793SS**  178.5100.9120.8-88.7-12.3000109.8
408E21.4Very low24.4Very low204 Ų204137 Ų13795%0.95379%0.786SS**  trans-83.9122.3160.5-71.4-164.1157.700108.6
409T27.6Very low24.3Very low130 Ų130130.2 Ų130.280%0.79876%0.759SS**  trans-111.7123.6-178.541.30000111.5
410S21.6Very low24Very low115 Ų115126.3 Ų126.380%0.80475%0.746SS**  trans-76.3136.1-176.758.30000113
411C19.8Very low23.5Very low117 Ų117129.3 Ų129.379%0.79175%0.751SS**  trans-151.9102.9155.6-105.50000115.5
412K22.8Very low23.6Very low190 Ų190130.1 Ų130.183%0.82675%0.751SS**  trans52.499133.1-64.8178.1178.6175.80120
413V24.5Very low23.9Very low121 Ų121134 Ų13473%0.73376%0.757SS**  trans-23.7138.6136.5178.90000114.6C415V413-C415 HydrophobicContact CG1-CB 4.05Å
414P25.2Very low23.6Very low127 Ų127133.8 Ų133.883%0.82575%0.75SS**  -130.7100.4126.334.5-24.3000112.6G416P414-G416 PolarHBondContact O-N 3.45Å
415C21.4Very low24Very low108 Ų108139 Ų13973%0.7376%0.76SS**  trans-81.9103.9173.8-81.20000111.3V413 V417V413-C415 HydrophobicContact CG1-CB 4.05Å; C415-V417 VanDerWaalsContact C-N 3.35Å; C415-V417 PolarHBondContact O-N 3.09Å; C415-V417 VanDerWaalsContact O-N 3.11Å
416G25Very low23.8Very low81 Ų81135.5 Ų135.584%0.83576%0.756SS**  trans-81.966.7175.600000113.8P414P414-G416 PolarHBondContact O-N 3.45Å
417V24.1Very low24Very low73 Ų73130.9 Ų130.944%0.44275%0.75SS.*  trans-60.9140.3176.1170.10000111.7C415 I419 R610C415-V417 VanDerWaalsContact C-N 3.35Å; C415-V417 PolarHBondContact O-N 3.09Å; C415-V417 VanDerWaalsContact O-N 3.11Å; V417-I419 HydrophobicContact CG1-CD1 3.78Å; V417-I419 HydrophobicContact CG1-CG1 3.63Å; V417-R610 PolarHBondContact O-NE 2.85Å; V417-R610 PolarHBondContact O-NH1 2.76Å; V417-R610 VanDerWaalsContact O-NH1 3.1Å; V417-R610 PolarHBondContact O-NH2 3.47Å; V417-R610 VanDerWaalsContact O-NH2 3.07Å
418R23.1Very low24.3Very low180 Ų180134.1 Ų134.168%0.67976%0.758SS**  trans-131.4158150.7-72-166.2177.5-174.90.7108.6R610R418-R610 HydrophobicContact CB-CG 4.38Å; R418-R610 HydrophobicContact CG-CG 4.41Å
419I22.9Very low24.3Very low64 Ų64129 Ų12933%0.32874%0.735SS.*  trans-133.4148.6-162.3-72.3164.8000109.8V417 R610 H611 T612V417-I419 HydrophobicContact CG1-CD1 3.78Å; V417-I419 HydrophobicContact CG1-CG1 3.63Å; I419-R610 HydrophobicContact CB-CG 4.43Å; I419-H611 WeakPolarHBondContact CB-O 3.36Å; I419-H611 WeakPolarHBondContact CG2-O 3.46Å; I419-T612 HydrophobicContact CD1-CG2 3.61Å
420S22Very low24.4Very low85 Ų85133.8 Ų133.859%0.59474%0.738SS**  trans-8.5134.1174.860.10000119.5
421E24.7Very low24.6Very low173 Ų173136.9 Ų136.981%0.80874%0.737SS**  trans-125.1148.7131.9-94.4143.8-153.100107.1
422V23.9Very low24.9Very low118 Ų118140.3 Ų140.372%0.71574%0.742SS**  trans-132.6123.6178.7174.10000106.7
423E27Very low25.1Very low189 Ų189138 Ų13888%0.88374%0.738SS**  trans-133.3125.5166-69.5-166.4141.700108.4
424D24.3Very low25Very low147 Ų147138 Ų13879%0.78674%0.744SS**  trans-76.9133.8178.6-58.4-72.6000110.8
425F28.5Very low25.1Very low217 Ų217137.4 Ų137.495%0.95274%0.738SS**  trans-141.5126.5159.1-111.7-79.7000111.5
426A24.6Very low25.3Very low97 Ų97137.2 Ų137.280%0.80274%0.738SS**  trans-90.9154.9-164.400000114.6
427G25.8Very low25.4Very low68 Ų68141.5 Ų141.570%0.70174%0.741SS**  trans5097.4141.300000119
428K30.5Very low25.3Very low213 Ų213142.4 Ų142.493%0.92675%0.75SS**  trans-147.596.4148-120.3162.8-169.9168.60112.2
429M21.7Very low25.4Very low95 Ų95139.3 Ų139.347%0.46876%0.756SS.*  trans-77.9133.7-179.8-68.9169.6-178.600110.5L1110 N1111M429-L1110 HydrophobicContact CB-CD2 4.01Å; M429-L1110 HydrophobicContact CB-CG 4.13Å; M429-L1110 HydrophobicContact CG-CD2 4.41Å; M429-L1110 HydrophobicContact CG-CG 3.97Å; M429-L1110 VanDerWaalsContact SD-CA 3.56Å; M429-L1110 HydrophobicContact SD-CB 3.84Å; M429-L1110 HydrophobicContact SD-CD2 4.42Å; M429-L1110 HydrophobicContact SD-CG 3.78Å; M429-N1111 HydrophobicContact CE-CB 4.2Å; M429-N1111 VanDerWaalsContact CE-N 3.31Å; M429-N1111 VanDerWaalsContact CE-O 3.25Å; M429-N1111 WeakPolarHBondContact CE-O 3.41Å
430R28.2Very low25.7Very low231 Ų231140.9 Ų140.987%0.87278%0.779SS**  trans-111.7111.4-176.2-168.8173.9-173.6168.41.6108.7
431K27.4Very low25.7Very low181 Ų181148.4 Ų148.479%0.78780%0.796SS**  trans-56.2149.5174.3-84.1-173.3172.9-177.90110.7N433K431-N433 PolarHBondContact O-N 2.92Å
432Q26.2Very low25.8Very low188 Ų188144.3 Ų144.388%0.87979%0.792SS**  trans-67.8119.5-179.9-66.3164.5-21.600109.8
433N26.9Very low25.9Very low141 Ų141143.4 Ų143.475%0.75480%0.797SS**  trans-92.2115.8164.8-83.519.7000108.6K431 T435K431-N433 PolarHBondContact O-N 2.92Å; N433-T435 VanDerWaalsContact C-N 3.33Å; N433-T435 PolarHBondContact O-N 2.84Å
434S21.8Very low25.8Very low122 Ų122144.9 Ų144.985%0.85379%0.794SS**  trans-70.685.2165.849.50000110.1S436S434-S436 PolarHBondContact O-N 3.28Å; S434-S436 VanDerWaalsContact O-N 3.14Å
435T28.3Very low25.7Very low114 Ų114146.4 Ų146.470%0.69980%0.797SS**  trans-75.498.7169.544.60000110N433 L437N433-T435 VanDerWaalsContact C-N 3.33Å; N433-T435 PolarHBondContact O-N 2.84Å; T435-L437 PolarHBondContact O-N 3.41Å
436S23.7Very low25.7Very low104 Ų104143.6 Ų143.673%0.72779%0.786SS**  trans-55119.2166.450.90000110.9S434 S438S434-S436 PolarHBondContact O-N 3.28Å; S434-S436 VanDerWaalsContact O-N 3.14Å; S436-S438 PolarHBondContact O-N 2.98Å
437L28.1Very low25.8Very low172 Ų172144.6 Ų144.690%0.90179%0.787SS**  trans-98.571.8173.8-78.5170.5000110.8T435T435-L437 PolarHBondContact O-N 3.41Å
438S22.3Very low25.8Very low91 Ų91152.8 Ų152.864%0.63680%0.797SS**  trans-77160.4158.556.10000110.7S436S436-S438 PolarHBondContact O-N 2.98Å
439S25.7Very low25.6Very low115 Ų115147.7 Ų147.780%0.80479%0.788SS**  trans54.388.9169.958.40000117.1
440A27.5Very low25.7Very low98 Ų98145.3 Ų145.381%0.8179%0.788SS**  trans-136.733.4156.100000112.1A442A440-A442 PolarHBondContact O-N 3.13Å
441Y22Very low25.6Very low242 Ų242145.7 Ų145.795%0.94979%0.789SS**  trans-69.8107.3168.7-98-97.9000109.2
442A26.4Very low25.3Very low88 Ų88140.5 Ų140.573%0.72778%0.775SS**  trans-127.885.2172.200000108.7A440 R444A440-A442 PolarHBondContact O-N 3.13Å; A442-R444 PolarHBondContact O-N 3.32Å
443A26Very low25.4Very low99 Ų99140.6 Ų140.682%0.81877%0.773SS**  trans-61123.5177.100000109.7
444R25.8Very low25.2Very low220 Ų220138.3 Ų138.383%0.8377%0.769SS**  trans-115.973.3-177.5-155176.4-161168.37.1110.5A442 H446A442-R444 PolarHBondContact O-N 3.32Å; R444-H446 PolarHBondContact O-N 3.37Å
445E22.2Very low25.3Very low178 Ų178138.4 Ų138.483%0.83277%0.769SS**  trans-59.4119.2176.7-66.5-151.411800111.4
446H29.7Very low25Very low159 Ų159136.7 Ų136.774%0.73677%0.774SS**  trans-10296.4168.6-90.3-71.5000109.6R444 R448R444-H446 PolarHBondContact O-N 3.37Å; H446-R448 PolarHBondContact O-N 2.99Å
447S25Very low25Very low118 Ų118137.9 Ų137.983%0.82578%0.782SS**  trans-53.7118-177.9-38.50000111.8S449S447-S449 PolarHBondContact O-N 3.45Å
448R25.6Very low24.8Very low240 Ų240133.2 Ų133.291%0.90677%0.769SS**  trans-83.8108175.3-74.6-178171.7177.5-0.7110.3H446 G450H446-R448 PolarHBondContact O-N 2.99Å; R448-G450 PolarHBondContact O-N 2.96Å
449S27.1Very low24.9Very low106 Ų106136.4 Ų136.474%0.74178%0.779SS**  trans-61127.6171590000111.3S447S447-S449 PolarHBondContact O-N 3.45Å
450G23.7Very low24.7Very low44 Ų44138.9 Ų138.945%0.45478%0.782SS.*  trans-72.7149.8-175.400000114.6R448 T1685R448-G450 PolarHBondContact O-N 2.96Å; G450-T1685 PolarHBondContact N-OG1 2.75Å
451R25.8Very low24.6Very low240 Ų240138.2 Ų138.291%0.90679%0.785SS**  trans-143.589.3157.3-80.2-161.2174.2-150.4-2.3110.4
452S22.2Very low24.5Very low71 Ų71131.5 Ų131.550%0.49777%0.772SS.*  trans-68.7133.3164.950.60000110.7
453F27.2Very low24.4Very low191 Ų191132.1 Ų132.184%0.83877%0.771SS**  trans-154.397.6157.9-96.5-64.3000111.8
454S23.2Very low24.3Very low93 Ų93135 Ų13565%0.6577%0.772SS**  trans33.2108.9141.561.30000119.7
455S22.9Very low24.3Very low123 Ų123132.7 Ų132.786%0.8677%0.768SS**  27.5109.9127.761.70000118.8
456G23.5Very low24.4Very low79 Ų79129.4 Ų129.481%0.81476%0.764SS**  trans-147124164.700000110.7
457S22.9Very low24.2Very low128 Ų128129.1 Ų129.190%0.89577%0.768SS**  trans-88.3166.7-173.9-167.10000113.4
458A23.5Very low24.2Very low74 Ų74126 Ų12661%0.61276%0.755SS**SBendtrans80.9127.6163.700000120.2L460A458-L460 PolarHBondContact O-N 3.25Å
459D24.9Very low24.2Very low159 Ų159121.2 Ų121.285%0.8575%0.752SS**  trans62.745.5133.9-56.6-11.4000120.5G461D459-G461 PolarHBondContact O-N 3.4Å
460L22.5Very low24.1Very low166 Ų166122 Ų12287%0.86975%0.753SS**  trans-75.369.4156.2-80.8176.5000112.7A458 C462A458-L460 PolarHBondContact O-N 3.25Å; L460-C462 PolarHBondContact O-N 3.34Å
461G24.8Very low24.2Very low84 Ų84126.4 Ų126.487%0.86676%0.762SS**  trans-66.973.8161.300000111.5D459D459-G461 PolarHBondContact O-N 3.4Å
462C20.7Very low24.2Very low101 Ų101120.1 Ų120.168%0.68275%0.754SS**  trans-104.7117.8-173.7-154.90000112.8L460 L464L460-C462 PolarHBondContact O-N 3.34Å; C462-L464 PolarHBondContact O-N 3.26Å
463S24.2Very low24.3Very low102 Ų102123.5 Ų123.571%0.71377%0.766SS**  trans-72.995.1178.3-176.10000111.1K465S463-K465 PolarHBondContact O-N 3.48Å
464L23.7Very low24.3Very low159 Ų159120.4 Ų120.483%0.83276%0.758SS**  trans-66.891171.3-90.4165.4000110.9C462 S466C462-L464 PolarHBondContact O-N 3.26Å; L464-S466 VanDerWaalsContact C-N 3.34Å; L464-S466 PolarHBondContact O-N 3.02Å; L464-S466 VanDerWaalsContact O-N 3.09Å
465K24.7Very low24.4Very low172 Ų172123.1 Ų123.175%0.74877%0.765SS**  trans-74.587.7164-68.6-179-179.5176.60109.5S463 D467S463-K465 PolarHBondContact O-N 3.48Å; K465-D467 PolarHBondContact O-N 2.87Å; K465-D467 VanDerWaalsContact O-N 3.15Å
466S24.6Very low24.5Very low108 Ų108123.3 Ų123.376%0.75576%0.756SS**  trans-7394.1159.851.40000108.7L464 G468L464-S466 VanDerWaalsContact C-N 3.34Å; L464-S466 PolarHBondContact O-N 3.02Å; L464-S466 VanDerWaalsContact O-N 3.09Å; S466-G468 PolarHBondContact O-N 2.77Å
467D25.7Very low24.6Very low153 Ų153124.6 Ų124.682%0.81875%0.753SS**  trans-70.656.5168.1-77.4-39.1000110.5K465K465-D467 PolarHBondContact O-N 2.87Å; K465-D467 VanDerWaalsContact O-N 3.15Å
468G25.3Very low24.6Very low54 Ų54127.2 Ų127.256%0.55775%0.748SS**  trans-74.8125.7166.100000108.8S466 T470S466-G468 PolarHBondContact O-N 2.77Å; G468-T470 VanDerWaalsContact C-N 3.31Å; G468-T470 PolarHBondContact O-N 3.08Å
469V25.8Very low24.7Very low139 Ų139129 Ų12984%0.84275%0.753SS**  trans-74.283.4-172.6-175.90000110.7E471V469-E471 PolarHBondContact O-N 3.33Å; V469-E471 VanDerWaalsContact O-N 3.12Å
470T24.6Very low24.6Very low123 Ų123127 Ų12776%0.75575%0.752SS**  trans-70.9100.4164.454.10000108.7G468 S472G468-T470 VanDerWaalsContact C-N 3.31Å; G468-T470 PolarHBondContact O-N 3.08Å; T470-S472 PolarHBondContact O-N 3.44Å
471E25.7Very low24.7Very low136 Ų136127 Ų12764%0.63675%0.751SS**  trans-63.789.3163.2-74.9-165.1140.700109.1K190 V469 L473K190-E471 IonicContact NZ-OE2 2.69Å; K190-E471 PolarHBondContact NZ-OE2 2.91Å; V469-E471 PolarHBondContact O-N 3.33Å; V469-E471 VanDerWaalsContact O-N 3.12Å; E471-L473 PolarHBondContact O-N 3.46Å
472S26Very low24.6Very low107 Ų107133.4 Ų133.475%0.74875%0.749SS**  trans-70.689.2-178.242.50000110.7T470 N474T470-S472 PolarHBondContact O-N 3.44Å; S472-N474 PolarHBondContact O-N 2.84Å
473L24.3Very low24.6Very low143 Ų143140.3 Ų140.375%0.74976%0.761SS**  trans-52.8121.4175.3-72.2172.1000110.2E471 L475E471-L473 PolarHBondContact O-N 3.46Å; L473-L475 PolarHBondContact O-N 3.18Å
474N26.2Very low24.7Very low125 Ų125143.1 Ų143.167%0.66877%0.767SS**  trans-80.384.7-161.1-174.2-2.4000112.5S472 N476 S477S472-N474 PolarHBondContact O-N 2.84Å; N474-N476 PolarHBondContact O-N 2.7Å; N474-N476 PolarHBondContact OD1-N 3.08Å; N474-S477 PolarHBondContact O-N 2.96Å
475L25.2Very low24.7Very low151 Ų151141 Ų14179%0.79177%0.765SS**G310 helixtrans-66.97.5-179-71.8172.6000115.7L473 S477L473-L475 PolarHBondContact O-N 3.18Å; L475-S477 VanDerWaalsContact C-N 3.32Å
476N26Very low24.6Very low127 Ų127138.7 Ų138.768%0.67977%0.771SS**G310 helixtrans-87.58.9172.9-71.5-19.9000113.9N474 F478N474-N476 PolarHBondContact O-N 2.7Å; N474-N476 PolarHBondContact OD1-N 3.08Å; N476-F478 VanDerWaalsContact C-N 3.35Å
477S25.2Very low24.6Very low106 Ų106137 Ų13774%0.74177%0.771SS**G310 helixtrans-86.98.8177.7-1660000115.1N474 L475 P479N474-S477 PolarHBondContact O-N 2.96Å; L475-S477 VanDerWaalsContact C-N 3.32Å; S477-P479 WeakPolarHBondContact O-CD 3.32Å
478F22.9Very low24.5Very low183 Ų183135 Ų13580%0.80377%0.769SS**SBendtrans-90.1110.4168.1-89.2-80.7000110.4N476 S480N476-F478 VanDerWaalsContact C-N 3.35Å; F478-S480 PolarHBondContact O-N 3.01Å
479P25.8Very low24.4Very low110 Ų110137.7 Ų137.771%0.71478%0.779SS**  trans-71.9126.9-175.628.7-34.2000111S477 I481S477-P479 WeakPolarHBondContact O-CD 3.32Å; P479-I481 PolarHBondContact O-N 3.35Å
480S23.4Very low24.3Very low117 Ų117137.2 Ų137.282%0.81878%0.777SS**  trans-56.4105.9-179.3-500000112.1F478 R482F478-S480 PolarHBondContact O-N 3.01Å; S480-R482 PolarHBondContact O-N 3.05Å
481I24.2Very low24.4Very low167 Ų167137 Ų13786%0.85678%0.778SS**  trans-63.9103.8172.4-60.9177.5000107.7P479 R483P479-I481 PolarHBondContact O-N 3.35Å; I481-R483 PolarHBondContact O-N 2.7Å
482R23.4Very low24.4Very low219 Ų219136.9 Ų136.983%0.82679%0.785SS**  trans-59.9125.8173.4-70.9-179.4176.2173-1.8108.4S480 L484S480-R482 PolarHBondContact O-N 3.05Å; R482-L484 PolarHBondContact O-N 3.45Å
483R21Very low24.2Very low246 Ų246137 Ų13793%0.92879%0.786SS**  trans-58.9102.6158.4-70.6179.1179.1164.5-1.6107.3I481I481-R483 PolarHBondContact O-N 2.7Å
484L25.1Very low24.1Very low161 Ų161137.9 Ų137.984%0.84379%0.792SS**  trans-80.7127.3159.8-72.1174.8000107R482R482-L484 PolarHBondContact O-N 3.45Å
485S23.7Very low24.1Very low114 Ų114136 Ų13680%0.79780%0.802SS**  trans-63.9156.7-169.8-56.10000112.8G487S485-G487 PolarHBondContact O-N 3.02Å
486S23.1Very low23.9Very low123 Ų123139.5 Ų139.586%0.8680%0.804SS**  trans-49106.4172.449.40000112.6
487G24.8Very low23.8Very low73 Ų73145.4 Ų145.475%0.75382%0.817SS**PPolyproline II helixtrans-70.7139.7163.100000110.3S485S485-G487 PolarHBondContact O-N 3.02Å
488S24.1Very low23.7Very low112 Ų112151.3 Ų151.378%0.78382%0.823SS**PPolyproline II helixtrans-68.9147.2-170.746.80000114.1
489S21.2Very low23.8Very low110 Ų110152.8 Ų152.877%0.76983%0.83SS**PPolyproline II helixtrans-68.5136.1171540000112.7
490T24.2Very low23.7Very low129 Ų129150.5 Ų150.579%0.79183%0.827SS**  trans-130.2107.1162.344.80000110.3
491P27.9Very low23.8Very low119 Ų119154.4 Ų154.477%0.77383%0.829SS**  trans-95.3123.9-177.333.7-30.6000112.3
492V24.5Very low23.8Very low132 Ų132152.4 Ų152.480%0.882%0.824SS**  trans-132.7108.2171.2-175.10000111.5
493S23.2Very low24.1Very low110 Ų110148.4 Ų148.477%0.76982%0.823SS**  trans11118162.545.90000121.3G495S493-G495 PolarHBondContact O-N 2.96Å
494N22.1Very low24.4Very low162 Ų162143.1 Ų143.187%0.86681%0.814SS**  trans-71118162.4-91.5-71.5000112.8R496N494-R496 PolarHBondContact O-N 3.18Å
495G25.5Very low24.1Very low85 Ų85146.6 Ų146.688%0.87682%0.817SS**  trans-87.251.917500000115.6S493S493-G495 PolarHBondContact O-N 2.96Å
496R20.4Very low24.3Very low224 Ų224147 Ų14785%0.84582%0.815SS**  trans-70.5129.5-179.6-107.5-178.1174.7-177.8-1.8112.5N494N494-R496 PolarHBondContact O-N 3.18Å
497R24.7Very low24.4Very low251 Ų251146.1 Ų146.195%0.94781%0.809SS**  trans-131.9148.7158.9-71.9-165.1175.3-157.8-1.1111.9
498R22.4Very low24.5Very low230 Ų230150.2 Ų150.287%0.86881%0.814SS**  trans-99.1162.9-172-60.3166.4168.8159.7-7.1111
499F25.2Very low24.7Very low214 Ų214149.4 Ų149.494%0.93981%0.808SS**  174.5147.5125.9-86.3-60.1000109.5
500G23.1Very low25Very low63 Ų63152 Ų15265%0.64981%0.808SS**  cis131.278.7-16.300000116.5
501K26.8Very low25.2Very low199 Ų199152.8 Ų152.887%0.86581%0.806SS**  trans-176.4118.4155.8-100.9161.7-175.2-175.40106.8
502V24.4Very low25.2Very low124 Ų124151.8 Ų151.875%0.75281%0.807SS**  71.5107.861.5-179.70000112.3
503V29.6Very low25.6Very low135 Ų135150 Ų15082%0.81880%0.8SS**  trans-134.2135.1167.9177.50000106.5
504N26Very low25.9Very low136 Ų136154.6 Ų154.673%0.72780%0.801SS**  trans-90.4144.6-172.3-65.4-15.5000111.9
505Y20.1Very low26.3Very low234 Ų234152 Ų15292%0.91880%0.795SS**  trans-92.2131.5168.3-79.5-99.6000110.3
506T27Very low26.8Very low122 Ų122151.4 Ų151.475%0.74878%0.782SS**  trans-146.4118.9170.3490000112.2
507S25.4Very low27.4Very low104 Ų104146.7 Ų146.773%0.72777%0.774SS**  trans53.8101.815755.40000120.2S509S507-S509 PolarHBondContact O-N 3.49Å; S507-S509 VanDerWaalsContact O-N 3.16Å
508D25.8Very low27.5Very low160 Ų160140 Ų14086%0.85677%0.765SS**  trans-67100.8167-59.7-70.8000112.4
509S28.4Very low28Very low95 Ų95133.2 Ų133.266%0.66476%0.758SS**  trans-148.9-10.4171.451.10000116.7S507S507-S509 PolarHBondContact O-N 3.49Å; S507-S509 VanDerWaalsContact O-N 3.16Å
510E28.1Very low28.3Very low165 Ų165126.5 Ų126.577%0.77174%0.741SS**SBendtrans-108.910.7-175.6-64.1-164.1144.700115.6A512E510-A512 VanDerWaalsContact C-N 3.32Å
511I27.7Very low28.7Very low145 Ų145128.3 Ų128.374%0.74474%0.744SS**G310 helixtrans-79.6-17177.7-64.5176000112S513I511-S513 VanDerWaalsContact C-N 3.26Å; I511-S513 PolarHBondContact O-N 3.22Å
512A29.6Very low28.7Very low97 Ų97126.2 Ų126.280%0.80274%0.742SS**G310 helixtrans-72.6-5.2-174.700000115.9E510E510-A512 VanDerWaalsContact C-N 3.32Å
513S32.8Very low29.2Very low94 Ų94131.6 Ų131.666%0.65775%0.748SS**G310 helixtrans-125.113.4-168.957.70000115.5I511I511-S513 VanDerWaalsContact C-N 3.26Å; I511-S513 PolarHBondContact O-N 3.22Å
514R27.9Very low29Very low207 Ų207136.4 Ų136.478%0.78175%0.752SS**  trans-123.718.7-178.7-74.4-171.4168.4178.2-0.8115.9A516R514-A516 VanDerWaalsContact C-N 3.28Å; R514-A516 PolarHBondContact O-N 3Å
515S31.7Very low29Very low107 Ų107134.9 Ų134.975%0.74875%0.752SS**SBendtrans-73.8-13.1172.348.70000114.3
516A34.9Very low29.2Very low73 Ų73133 Ų13360%0.60375%0.748SS**SBendtrans-74.7-46.4-174.300000114.5R514 C518R514-A516 VanDerWaalsContact C-N 3.28Å; R514-A516 PolarHBondContact O-N 3Å; A516-C518 PolarHBondContact O-N 3.23Å
517D34.2Very low29.2Very low126 Ų126135.8 Ų135.867%0.67475%0.753SS**G310 helixtrans-79.7-16.3-163.8-66.8-38.1000114.8A519 A520D517-A519 PolarHBondContact O-N 3.01Å; D517-A520 PolarHBondContact O-N 3.32Å
518C27.2Very low29.1Very low111 Ų111138.4 Ų138.475%0.7576%0.758SS**G310 helixtrans-68.5-19.9-178.4-141.60000112.8A516 A520A516-C518 PolarHBondContact O-N 3.23Å; C518-A520 VanDerWaalsContact C-N 3.31Å; C518-A520 PolarHBondContact O-N 2.88Å
519A31.7Very low29.2Very low87 Ų87138.5 Ų138.572%0.71976%0.757SS**G310 helixtrans-72.2-17179.300000114.4D517D517-A519 PolarHBondContact O-N 3.01Å
520A32.7Very low29Very low72 Ų72145 Ų14560%0.59577%0.768SS**THydrogen-bonded Turntrans-85.5-32.6-172.900000114.4D517 C518D517-A520 PolarHBondContact O-N 3.32Å; C518-A520 VanDerWaalsContact C-N 3.31Å; C518-A520 PolarHBondContact O-N 2.88Å
521S30.3Very low28.8Very low101 Ų101148.2 Ų148.271%0.70677%0.774SS**G310 helixtrans-84.9-15.8-162.7-64.80000115.7
522L28.4Very low28.8Very low156 Ų156145.9 Ų145.982%0.81777%0.768SS**G310 helixtrans-89.47.6-178-91164000115.1
523R33.3Very low28.6Very low236 Ų236149 Ų14989%0.89177%0.766SS**G310 helixtrans-99.210.7175.6-84.5-176.5171.8167.2-1.7115.3
524R26.4Very low28.4Very low236 Ų236152.3 Ų152.389%0.89178%0.776SS**  trans-135.967.1-179.4-59.6-167.6-161.6-152.46.4114.8
525S25.6Very low28.3Very low104 Ų104149.2 Ų149.273%0.72778%0.775SS**  trans-145.338.6168.552.60000113.8
526K24.8Very low28Very low194 Ų194152.7 Ų152.784%0.84379%0.785SS**  trans-76.8151.6156.2-86.5-171.4174.2-177.80109.7
527H25.7Very low27.5Very low182 Ų182152.2 Ų152.284%0.84379%0.787SS**  trans72.5101.8-172.2-59.6-89.1000115.9
528L25Very low27Very low158 Ų158153.7 Ų153.783%0.82780%0.795SS**SBend-156.5153.6108.2-106168.8000111.2
529L26.8Very low26.8Very low163 Ų163158.8 Ų158.885%0.85380%0.804SS**  trans61.564166.9-54.1-176.6000119.2
530R23.8Very low26.3Very low232 Ų232159.1 Ų159.188%0.87580%0.802SS**  trans-53131.6149.5168.1-159.6-164.1177.36.1112.8
531Y24.3Very low25.8Very low231 Ų231163.5 Ų163.591%0.90682%0.815SS**  trans-141.2152.4141.9-102.9-88.1000109.2
532P29.1Very low25.4Very low96 Ų96164 Ų16462%0.62382%0.818SS**  trans-110174.5-154.441.1-33.8000115.7
533H24.5Very low25.2Very low163 Ų163163 Ų16376%0.75582%0.819SS**  trans-51.8154.6160-75.7-121.4000112.6
534N27.4Very low24.7Very low163 Ų163158 Ų15887%0.87281%0.814SS**  trans-153.3134.4147.7-96.4-26.8000108.7
535D26Very low24.6Very low142 Ų142152 Ų15276%0.75981%0.806SS**  trans-93.4122.1-169.5-52-82.4000113.1
536L26.5Very low24.5Very low181 Ų181155.6 Ų155.695%0.94881%0.811SS**  trans-150.4135.6160.2-67.7176.9000106.4
537G24.3Very low24.4Very low63 Ų63152 Ų15265%0.64981%0.81SS**  cis167.7136.7-1.800000107.4F539G537-F539 PolarHBondContact O-N 3.26Å
538N23.5Very low24.4Very low157 Ų157150.9 Ų150.984%0.8481%0.81SS**  trans-52.4128.4-166.1-73-14.5000114.8
539F22.8Very low24.3Very low217 Ų217152 Ų15295%0.95281%0.811SS**  trans-131.792.3152.4-91.1-78.4000110.4G537G537-F539 PolarHBondContact O-N 3.26Å
540S20.8Very low24.2Very low95 Ų95151.6 Ų151.666%0.66481%0.809SS**  trans-101.3129.5170.755.50000110.3
541N22.8Very low24.3Very low163 Ų163148.2 Ų148.287%0.87281%0.807SS**  trans54.8105.2160.1-58.8-8.6000118.8
542S22.6Very low24.5Very low111 Ų111143.1 Ų143.178%0.77680%0.802SS**  trans-156107.8137.463.10000112.9
543T23.8Very low24.3Very low136 Ų136146.3 Ų146.383%0.83481%0.812SS**  trans49.6119.8138.9-40.30000120.4
544V22.1Very low24.3Very low131 Ų131143.4 Ų143.479%0.79482%0.817SS**PPolyproline II helixtrans-66.7132.9167.6177.60000110.6
545P24.3Very low24.1Very low109 Ų109143.8 Ų143.871%0.70881%0.81SS**PPolyproline II helixtrans-77146.8175.931.7-34.8000112.3
546Q23.3Very low24Very low180 Ų180145.1 Ų145.184%0.84182%0.817SS**PPolyproline II helixtrans-69.8153.7171.6-66.7162.3-99.400111.4
547C23.5Very low24Very low120 Ų120142.1 Ų142.181%0.81180%0.801SS**  trans-126.6128.9160.3-67.20000107.8E549C547-E549 PolarHBondContact O-N 3.46Å
548D24.3Very low23.9Very low158 Ų158145.6 Ų145.685%0.84581%0.814SS**  trans-71.7125-177.4-68.9-63.5000111.8
549E23.6Very low24.1Very low181 Ų181146 Ų14685%0.84681%0.811SS**  trans-82133.5166.6-60-176.313500109.6C547C547-E549 PolarHBondContact O-N 3.46Å
550N25.7Very low24.2Very low154 Ų154142.8 Ų142.882%0.82480%0.802SS**  trans-163.4155.7161.8-112-65.8000113
551I25.8Very low24.2Very low162 Ų162150.5 Ų150.583%0.83182%0.817SS**SBendtrans83.3128.8-178.4-55.8173.3000113.6
552P28.6Very low24.4Very low123 Ų123149.7 Ų149.780%0.79981%0.813SS**  trans-109.1160.3-135.739.7-34.6000116.3
553I23.9Very low24.4Very low164 Ų164148.3 Ų148.384%0.84182%0.816SS**PPolyproline II helixtrans-91.9117.8174.4-62.4164000109.6
554A24.7Very low24.5Very low102 Ų102146.5 Ų146.584%0.84382%0.815SS**PPolyproline II helixtrans-86.6116.5165.600000109.7
555K24.3Very low24.6Very low171 Ų171149.5 Ų149.574%0.74382%0.817SS**PPolyproline II helixtrans-70.5149.3170-77.4-173.1172.1-169.40111.1
556L24Very low24.5Very low170 Ų170152.4 Ų152.489%0.8983%0.826SS**  trans-148124.1152.5-116.8157.8000107.8
557D26.3Very low24.5Very low117 Ų117152.4 Ų152.463%0.62683%0.826SS**  trans-82.8140.7-161.3-56.1-72.3000113.3Q559D557-Q559 VanDerWaalsContact C-N 3.33Å; D557-Q559 PolarHBondContact O-N 2.93Å
558C21.7Very low24.6Very low136 Ų136152.8 Ų152.892%0.91983%0.825SS**  trans-76.680.6173.7-64.50000110.8
559Q27Very low24.6Very low167 Ų167151.4 Ų151.478%0.7883%0.825SS**  trans-72.1130.5172.2-73.6-169.1-14.300112D557 W561D557-Q559 VanDerWaalsContact C-N 3.33Å; D557-Q559 PolarHBondContact O-N 2.93Å; Q559-W561 PolarHBondContact O-N 3.28Å
560I24.5Very low24.5Very low149 Ų149147.9 Ų147.976%0.76482%0.82SS**  trans-39.1124.6179.8-62.3159.2000112.8N562I560-N562 PolarHBondContact O-N 2.96Å
561W21.7Very low24.4Very low257 Ų257148.3 Ų148.397%0.97382%0.822SS**  trans-77.185.1171.4-84.620.5000111.5Q559Q559-W561 PolarHBondContact O-N 3.28Å
562N26Very low24.5Very low145 Ų145147.3 Ų147.378%0.77582%0.823SS**  trans-72.2142.7155.9-85.6-40.7000110I560 A564I560-N562 PolarHBondContact O-N 2.96Å; N562-A564 PolarHBondContact O-N 3.31Å
563G24.4Very low24.3Very low82 Ų82146.7 Ų146.785%0.84582%0.819SS**  trans-63.3115.4-166.200000114.8
564A24.3Very low24.2Very low99 Ų99146.6 Ų146.682%0.81882%0.82SS**  trans-83.3130.6167.200000110.6N562N562-A564 PolarHBondContact O-N 3.31Å
565K25.3Very low24.2Very low193 Ų193153.9 Ų153.984%0.83983%0.826SS**  trans-57.1142.7174.2-70168176.2170.60110.5E567K565-E567 PolarHBondContact O-N 3.12Å; K565-E567 VanDerWaalsContact O-N 3.07Å
566L22.7Very low24.1Very low171 Ų171156 Ų15690%0.89583%0.829SS**  trans-71.7101.7166.2-141.787.8000108.7T568L566-T568 PolarHBondContact O-N 3.47Å; L566-T568 VanDerWaalsContact O-N 3.15Å
567E23.2Very low24Very low180 Ų180155.6 Ų155.684%0.84182%0.823SS**  trans-68.7110177-65.4-167.7144.400110.4K565K565-E567 PolarHBondContact O-N 3.12Å; K565-E567 VanDerWaalsContact O-N 3.07Å
568T24.8Very low23.9Very low127 Ų127156.2 Ų156.278%0.77984%0.836SS**PPolyproline II helixtrans-68.1128170.950.60000109.7L566 S570L566-T568 PolarHBondContact O-N 3.47Å; L566-T568 VanDerWaalsContact O-N 3.15Å; T568-S570 PolarHBondContact O-N 3.38Å
569P24.5Very low24.1Very low130 Ų130153.6 Ų153.684%0.84483%0.833SS**PPolyproline II helixtrans-68.4123.3-167.225.7-34.8000112.7N571P569-N571 PolarHBondContact O-N 3.05Å
570S22Very low24Very low106 Ų106154.1 Ų154.174%0.74184%0.835SS**PPolyproline II helixtrans-65.8122.9172.255.60000111.8T568T568-S570 PolarHBondContact O-N 3.38Å
571N23.7Very low23.9Very low163 Ų163154.3 Ų154.387%0.87283%0.833SS**  trans-173.676.1151-102.2-39.5000113.7P569P569-N571 PolarHBondContact O-N 3.05Å
572V26.4Very low23.9Very low142 Ų142151 Ų15186%0.86183%0.826SS**  trans-141122.4152.7-174.70000108.2
573P24.5Very low23.8Very low110 Ų110152.5 Ų152.571%0.71483%0.828SS**  trans-91146.6-175.134.2-34.7000114.2
574N22.5Very low23.9Very low161 Ų161157.1 Ų157.186%0.86183%0.825SS**  trans41.8106.4150.7-65.9-16.8000119.9
575R23.5Very low23.9Very low256 Ų256158.4 Ų158.497%0.96682%0.822SS**  -147.9151.1124.8-135.9173.3-177.7-178.6-1112.8
576R22.5Very low23.9Very low215 Ų215157.2 Ų157.281%0.81182%0.824SS**  trans-79.7141.4-166-70.7-179176.3146.4-3.6114.7
577E22.8Very low24Very low161 Ų161153.5 Ų153.575%0.75282%0.818SS**  26.1124.1122.2-48.6154.2128.700118.8
578S24.3Very low24Very low130 Ų130155.8 Ų155.891%0.90982%0.819SS**  177.6156.5126.134.70000110.6
579G25.9Very low24.1Very low82 Ų82156.5 Ų156.585%0.84582%0.818SS**  trans99.767.9172.600000115.6
580Q24Very low24.1Very low177 Ų177158 Ų15883%0.82782%0.818SS**  trans-81.6163.1162.8-96.5-178.1-37.200111.6
581Q23.2Very low24.3Very low153 Ų153158.7 Ų158.772%0.71582%0.82SS**  trans60.3112.6156.3-73170.7-30.900118.7
582F22.3Very low24.5Very low189 Ų189156.2 Ų156.283%0.82982%0.815SS**  -141.469.1129.9-114.2-76.9000109.7K584F582-K584 HydrophobicContact CD1-CG 4.4Å; F582-K584 HydrophobicContact CE1-CD 4.3Å; F582-K584 HydrophobicContact CE1-CG 4.43Å
583E22.1Very low25.2Very low175 Ų175155.2 Ų155.282%0.81881%0.811SS**  trans-78130152.4-73.7179.3127.800107.5
584K26.7Very low25.4Very low179 Ų179155.5 Ų155.578%0.77881%0.813SS**  trans-127.397.3161.1-95.2-169168-172.60108.5F582F582-K584 HydrophobicContact CD1-CG 4.4Å; F582-K584 HydrophobicContact CE1-CD 4.3Å; F582-K584 HydrophobicContact CE1-CG 4.43Å
585T25.1Very low25.5Very low126 Ų126156.8 Ų156.877%0.77381%0.811SS**  trans-54.3138.8158.936.40000110.2
586L24.6Very low25.6Very low168 Ų168152.9 Ų152.988%0.8880%0.804SS**  trans-126.698.3151.9-14782.5000107.1
587A25.2Very low25.9Very low93 Ų93147.3 Ų147.377%0.76980%0.804SS**  trans-126.4145.5175.800000108.7
588R23.9Very low26.8Very low229 Ų229145.1 Ų145.186%0.86480%0.804SS**  trans-59.7149.5-165.4-79.6176.9176.8130.8-2116
589D27.1Very low26.8Very low141 Ų141147 Ų14775%0.75480%0.802SS**  trans63129.5143.8-52.4-27.1000121.2
590I23.4Very low27Very low163 Ų163148.9 Ų148.984%0.83680%0.802SS**  trans-116.8106.9-178.8-58.5168.4000110.1
591P27.7Very low27.1Very low120 Ų120144.4 Ų144.478%0.77980%0.795SS**PPolyproline II helixtrans-91137.6156.529.6-22.3000110.5
592S26.4Very low27.2Very low111 Ų111143.6 Ų143.678%0.77680%0.801SS**PPolyproline II helixtrans-80.7154.1-169.1-63.80000114.3
593P40.9Very low27.4Very low120 Ų120140.5 Ų140.578%0.77980%0.797SS**PPolyproline II helixtrans-100.2153.6-161.537.7-36.4000116
594P29.9Very low27.8Very low117 Ų117137.6 Ų137.676%0.7680%0.796SS**PPolyproline II helixtrans-100.6123.2164.434.7-28.4000113.8
595F24.6Very low27.8Very low187 Ų187137.9 Ų137.982%0.8280%0.8SS**  trans42.1100.5149.2-72.2-87000122.5
596Q24.8Very low27.9Very low175 Ų175137.9 Ų137.982%0.81881%0.806SS**  45.3120.4117.5-73.2-172.6-22.700122.3
597A29.8Very low28Very low97 Ų97136.5 Ų136.580%0.80280%0.798SS**  112.3137.1124.800000118.1
598P41.3Very low28.2Very low115 Ų115138.7 Ų138.775%0.74780%0.802SS**  trans-107.9171.4-175.541.2-34.2000113.9
599I23.6Very low28.4Very low170 Ų170130.8 Ų130.887%0.87279%0.791SS**  trans155.2114.4136.3-80153.8000108.9
600S30.2Very low28.5Very low121 Ų121129 Ų12985%0.84677%0.774SS**  trans-166.8143.4136.3-168.90000109.2
601A26.1Very low28.9Very low83 Ų83128.1 Ų128.169%0.68677%0.766SS**  trans-156.1167.7179.900000111.1
602T26.4Very low29Very low137 Ų137126 Ų12684%0.8475%0.751SS**  trans88.2162.1163.2-300000116.6
603V26.3Very low29.2Very low123 Ų123126.8 Ų126.875%0.74575%0.751SS**  trans96.774.7162.7-164.10000117.5
604S29Very low28.6Very low114 Ų114128.4 Ų128.480%0.79775%0.753SS**  114151.8112.5-71.50000121.9
605Q26.8Very low28.8Very low185 Ų185132.2 Ų132.286%0.86476%0.761SS**  trans-116.8162.1-178.6-54.9161.2-19.100109.7
606S27.7Very low28.9Very low126 Ų126132.4 Ų132.488%0.88176%0.764SS**  trans-169.6160.9143.626.60000111.9
607I27.5Very low29.1Very low139 Ų139129.1 Ų129.171%0.71377%0.767SS**  trans-147.1133-170.2-57.2170.8000109.5
608T28Very low28.8Very low139 Ų139133.8 Ų133.885%0.85377%0.769SS**  trans178164.9151.520.30000110.6
609G28.6Very low28.1Very low63 Ų63136.9 Ų136.965%0.64977%0.774SS**  trans179.9-106.7-175.500000115.8
610R29.2Very low28.2Very low105 Ų105135.9 Ų135.940%0.39677%0.771SS.*  trans31.7114.1166.8-175.5-138.7-175.6165.30.4118.8V417 R418 I419V417-R610 PolarHBondContact O-NE 2.85Å; V417-R610 PolarHBondContact O-NH1 2.76Å; V417-R610 VanDerWaalsContact O-NH1 3.1Å; V417-R610 PolarHBondContact O-NH2 3.47Å; V417-R610 VanDerWaalsContact O-NH2 3.07Å; R418-R610 HydrophobicContact CB-CG 4.38Å; R418-R610 HydrophobicContact CG-CG 4.41Å; I419-R610 HydrophobicContact CB-CG 4.43Å
611H31.6Very low28.2Very low144 Ų144137 Ų13767%0.66777%0.772SS**  trans-145.2-150.9142.6-118.6-75.7000115.2I419I419-H611 WeakPolarHBondContact CB-O 3.36Å; I419-H611 WeakPolarHBondContact CG2-O 3.46Å
612T31Very low28.1Very low75 Ų75143.8 Ų143.846%0.4678%0.78SS.*  trans-140.9160.8-140.446.20000118.9I419I419-T612 HydrophobicContact CD1-CG2 3.61Å
613T30Very low28.5Very low128 Ų128143.3 Ų143.379%0.78578%0.779SS**  trans90.9132141.629.10000123.7
614N28.7Very low28.5Very low153 Ų153146.4 Ų146.482%0.81879%0.785SS**  trans-30152.9166.7-56.4-8.7000119.3
615E34.5Very low28.2Very low198 Ų198145.9 Ų145.993%0.92579%0.787SS**  -153.8169.4116.2-127.4171.9-160.400112.9
616Q26.4Very low28.2Very low190 Ų190142.9 Ų142.989%0.88878%0.781SS**  trans-119.5127.4-179.6-63.5176.7-53.800111.2
617A28.4Very low27.9Very low106 Ų106145.8 Ų145.888%0.87678%0.778SS**  trans-161.2153.915700000113.4
618K24Very low27.7Very low195 Ų195150 Ų15085%0.84879%0.785SS**  trans-74.9153.9165.8-50.7160.3-179.1173.30109.2
619Q25.8Very low27.7Very low180 Ų180150 Ų15084%0.84178%0.78SS**  -176.3163.196.6-124.7167.7-63.100113.6
620D25.1Very low27.5Very low150 Ų150149.1 Ų149.180%0.80276%0.759SS**  trans-72.3136.5-178.3-40.4-108000113.2
621V30.8Very low27.4Very low145 Ų145152.4 Ų152.488%0.87978%0.779SS**  trans-134.8137.1156.5-177.10000108.7
622R23.7Very low27.3Very low225 Ų225153.5 Ų153.585%0.84978%0.782SS**PPolyproline II helixtrans-79.9155.8-175.7-81.9-177.4172.1-167.5-3.7112.9
623P36.1Very low27.1Very low126 Ų126156.8 Ų156.882%0.81880%0.796SS**PPolyproline II helixtrans-69.4146.3-17929.5-36.4000112.5
624H25.6Very low27Very low188 Ų188158.9 Ų158.987%0.8780%0.797SS**PPolyproline II helixtrans-101.6124161.2-94.8-86.5000109.2
625A22.8Very low26.9Very low103 Ų103157.1 Ų157.185%0.85179%0.794SS**PPolyproline II helixtrans-74.4138.9177.500000111.5
626V26.5Very low26.7Very low122 Ų122152.9 Ų152.974%0.73978%0.783SS**  trans-121.8130.3159.8178.60000106
627K21.8Very low26.7Very low187 Ų187149.9 Ų149.981%0.81378%0.778SS**  trans-67.8144.1177.3-78.3-171.8163.1-154.50110.7
628W23.8Very low26.6Very low227 Ų227153.3 Ų153.386%0.8678%0.776SS**  trans-121.8132.4162.4-74.457.6000106.7
629D26.6Very low26.7Very low140 Ų140152.6 Ų152.675%0.74978%0.775SS**  trans-90141.7166.3-61.2-60.7000107.5M1117D629-M1117 HydrophobicContact CB-CE 4.16Å
630E25.2Very low26.7Very low45 Ų45150.4 Ų150.421%0.2177%0.774CS.*  trans-114.7120.4-151.7-31.5159.59100110.3P1116 M1117 E1118E630-P1116 WeakPolarHBondContact OE1-CA 3.46Å; E630-P1116 VanDerWaalsContact OE1-CD 3.28Å; E630-P1116 WeakPolarHBondContact OE1-CD 3.48Å; E630-M1117 HydrophobicContact CB-CB 3.81Å; E630-M1117 HydrophobicContact CB-CG 3.72Å; E630-M1117 HydrophobicContact CG-CB 4.48Å; E630-M1117 HydrophobicContact CG-CG 4.02Å; E630-M1117 WeakPolarHBondContact O-CB 3.14Å; E630-M1117 WeakPolarHBondContact O-CE 3.11Å; E630-M1117 WeakPolarHBondContact O-CG 3.4Å; E630-M1117 PolarHBondContact OE1-N 3.16Å; E630-M1117 VanDerWaalsContact OE1-N 3.09Å; E630-M1117 WeakPolarHBondContact OE2-CA 3.48Å; E630-M1117 WeakPolarHBondContact OE2-CG 3.14Å; E630-M1117 PolarHBondContact OE2-N 3.21Å; E630-E1118 PolarHBondContact OE2-N 3.19Å
631E27.5Very low26.7Very low174 Ų174147.7 Ų147.781%0.81377%0.772SS**  trans-112.9121.1-175.7-167.9167.5-140.500111.7
632K28Very low26.4Very low167 Ų167148.4 Ų148.473%0.72677%0.77SS**  trans-75.8125.2-176.3-70.7179.4178175.90111.5
633L28.9Very low26.5Very low143 Ų143146.5 Ų146.575%0.74977%0.77SS**  trans-97.3112.3176.2-97.5142.9000112L1114L633-L1114 HydrophobicContact CB-CD1 4.26Å; L633-L1114 HydrophobicContact CD1-CD1 4.09Å
634E27Very low25.9Very low172 Ų172146 Ų14680%0.80477%0.77SS**PPolyproline II helixtrans-79.8160.9164.5-81.7-169.8159.400111.8
635P26.5Very low25.8Very low116 Ų116145.4 Ų145.475%0.75377%0.772SS**PPolyproline II helixtrans-73149.1-164.927.2-35.2000114.7
636P29.5Very low25.7Very low109 Ų109150.4 Ų150.471%0.70877%0.768SS**PPolyproline II helixtrans-82.5124-162.731.1-36.3000114.8
637T26.3Very low25.6Very low127 Ų127153.1 Ų153.178%0.77978%0.778SS**  trans-82.7112.2167.146.50000111Q639T637-Q639 PolarHBondContact O-N 3.38Å
638H28Very low25.7Very low179 Ų179150.4 Ų150.483%0.82977%0.772SS**  trans-76.787.9174.7-92-84.8000111.6
639Q25.8Very low25.7Very low180 Ų180144.9 Ų144.984%0.84177%0.768SS**PPolyproline II helixtrans-87122.5161.5-70.7-171-7.200110.2T637T637-Q639 PolarHBondContact O-N 3.38Å
640V25.9Very low25.7Very low134 Ų134146.9 Ų146.981%0.81277%0.773SS**PPolyproline II helixtrans-85131.6173.5177.30000108.9I642V640-I642 PolarHBondContact O-N 2.94Å
641A24.4Very low25.6Very low93 Ų93152 Ų15277%0.76980%0.801SS**PPolyproline II helixtrans-68.9129-170.100000113.4
642I24.6Very low25.7Very low160 Ų160149.8 Ų149.882%0.82180%0.8SS**  trans-111.7125.5160.5-61.6179.6000107.2V640 S644V640-I642 PolarHBondContact O-N 2.94Å; I642-S644 PolarHBondContact O-N 3.39Å
643H26.4Very low25.5Very low185 Ų185151.2 Ų151.286%0.85681%0.809SS**  trans-66.9115-175-107.6-94.5000111.4
644S23.8Very low25.4Very low116 Ų116148.7 Ų148.781%0.81181%0.809SS**PPolyproline II helixtrans-76.6122.2172.4-63.60000110.6I642I642-S644 PolarHBondContact O-N 3.39Å
645L23.6Very low25.4Very low174 Ų174150.1 Ų150.191%0.91181%0.812SS**PPolyproline II helixtrans-88.1128165.1-81.5167.7000109.4
646R20.6Very low25.3Very low208 Ų208151.5 Ų151.579%0.78582%0.818SS**PPolyproline II helixtrans-65.8140.7170.8-81.9-175.7168.3126.5-4.6110.9D648R646-D648 IonicContact NE-OD1 3.12Å
647L23.8Very low25.1Very low179 Ų179152.3 Ų152.394%0.93782%0.821SS**  trans-129.2133.6138.1-84.3168.2000106.9
648D24Very low24.8Very low130 Ų130157.1 Ų157.170%0.69583%0.825SS**  trans-91.1165.5-167-69.7-69.8000113.5R646R646-D648 IonicContact NE-OD1 3.12Å
649S24.1Very low24.9Very low111 Ų111154.2 Ų154.278%0.77682%0.824SS**  trans-43.1147.5179.8-40.60000116.4
650E26.2Very low24.8Very low182 Ų182155 Ų15585%0.8583%0.828SS**  -165.4137.3112.7-110.3174.8-155.700114.9
651L23.5Very low24.8Very low152 Ų152152.2 Ų152.280%0.79683%0.827SS**  trans49.8120.6142.2-142.471.5000121.8
652V29Very low24.7Very low129 Ų129156.7 Ų156.778%0.78283%0.832SS**  -174.4121.5105.9151.70000109.8
653E23.5Very low24.7Very low196 Ų196153.8 Ų153.892%0.91683%0.826SS**  trans-91138.3165.9-65.6-172.2135.500110.5
654A27.3Very low24.7Very low91 Ų91153.3 Ų153.375%0.75283%0.828SS**  trans-136.6121.8168.300000110.3V656A654-V656 PolarHBondContact O-N 2.88Å
655K27.2Very low24.6Very low201 Ų201154.4 Ų154.487%0.87483%0.825SS**  trans-70.2127.7-172.1-83.9173.6173.3167.40113V657K655-V657 PolarHBondContact O-N 3.37Å
656V24.2Very low24.8Very low145 Ų145151.3 Ų151.388%0.87982%0.818SS**  trans-70.8123.2160.2179.30000108.9A654A654-V656 PolarHBondContact O-N 2.88Å
657V25Very low25.6Very low126 Ų126146.4 Ų146.476%0.76481%0.813SS**  trans-104.9133.3175.2176.70000109.2K655K655-V657 PolarHBondContact O-N 3.37Å
658R21.2Very low25.4Very low228 Ų228143.6 Ų143.686%0.8680%0.803SS**  trans-76.6140.3175.8-66.4176.3176.2145.6-2.1110.6
659S28.7Very low25.4Very low118 Ų118145.8 Ų145.883%0.82581%0.809SS**  trans-131108.516458.40000109.5
660E23Very low25.5Very low197 Ų197147.5 Ų147.592%0.92181%0.81SS**  trans-77.8138.6172.5-63.9170.6165.800109.3
661G27.2Very low25.3Very low76 Ų76145.2 Ų145.278%0.78481%0.808SS**  trans-159126.2-179.100000110.5
662Q23Very low25.3Very low186 Ų186145.1 Ų145.187%0.86981%0.808SS**  trans-94.5143-165.5-65.4175.2-36.400113.4
663S23.3Very low25.2Very low99 Ų99146.5 Ų146.569%0.69281%0.811SS**  trans38.5124144.864.10000120.8
664L26.5Very low25.4Very low175 Ų175146.3 Ų146.392%0.91681%0.81SS**  trans-144.1150.7134.6-103.7173.6000109.7
665N22.8Very low25.4Very low139 Ų139153.8 Ų153.874%0.74382%0.819SS**  trans-106.3130.6-164.2-65-56.4000113.6
666S26.3Very low25.4Very low110 Ų110152.5 Ų152.577%0.76982%0.821SS**  trans55.9174.5138.4810000118.9
667P37.1Very low25.4Very low105 Ų105151.2 Ų151.268%0.68282%0.817SS**  cis-128.1173.5-2.842.7-27.3000116.6
668V21.5Very low25.8Very low119 Ų119149.7 Ų149.772%0.72181%0.812SS**  trans-36.8137165.7-179.70000115.3
669E23.8Very low26.3Very low177 Ų177148.2 Ų148.283%0.82781%0.812SS**  trans-139.1155137.1-142.6158.6-124.800109.2
670N24.4Very low26.3Very low147 Ų147148.2 Ų148.279%0.78681%0.811SS**  trans-84.7148.4-150.8-83.6-22.1000116.6
671V23.5Very low26.8Very low133 Ų133146.5 Ų146.581%0.80680%0.803SS**  trans-67.9127.5164.3176.60000110.1
672N23Very low26.9Very low151 Ų151152.9 Ų152.981%0.80781%0.809SS**  trans-160.1107.5153.7-99.2-23000108.3
673D27.6Very low27Very low157 Ų157149.1 Ų149.184%0.8480%0.803SS**  trans164.391.8147.5-89.7-10.4000108.5R675D673-R675 PolarHBondContact O-N 3.16Å
674E26.7Very low27.2Very low192 Ų192150.3 Ų150.390%0.89781%0.807SS**  trans-70.4129.1176.7-67.1-169.513000110.9L676E674-L676 PolarHBondContact O-N 3.33Å; E674-L676 VanDerWaalsContact O-N 3.08Å
675R27.8Very low27.1Very low248 Ų248147.1 Ų147.194%0.93680%0.799SS**  trans-72.7102.9-174.5-67.5176.6176.1174-2.2111.2D673 C677D673-R675 PolarHBondContact O-N 3.16Å; R675-C677 PolarHBondContact O-N 2.86Å
676L27.1Very low27.4Very low175 Ų175148.7 Ų148.792%0.91681%0.806SS**  trans-57.3133.4168.8-77.4166.4000111.1E674E674-L676 PolarHBondContact O-N 3.33Å; E674-L676 VanDerWaalsContact O-N 3.08Å
677C24.8Very low27.5Very low117 Ų117150.8 Ų150.879%0.79181%0.808SS**  trans-68.3139.3-170.3-1720000113R675 F679R675-C677 PolarHBondContact O-N 2.86Å; C677-F679 VanDerWaalsContact C-N 3.29Å; C677-F679 PolarHBondContact O-N 2.96Å
678S33.7Very low26.9Very low95 Ų95153.6 Ų153.666%0.66482%0.816SS**G310 helixtrans-81.724.8-159.258.30000116.6
679F30Very low27.2Very low197 Ų197153.3 Ų153.386%0.86482%0.819SS**G310 helixtrans-81.2-15-179.7-154.1-101.2000113.9C677C677-F679 VanDerWaalsContact C-N 3.29Å; C677-F679 PolarHBondContact O-N 2.96Å
680C28.9Very low27.8Very low118 Ų118150.2 Ų150.280%0.79782%0.815SS**G310 helixtrans-92.512.9-177.4-62.70000115.3
681Q33.3Very low27.9Very low161 Ų161152.8 Ų152.875%0.75282%0.819SS**  trans-105.119.7-171.9-100.9-174.6-8.500115.9
682K29Very low27.9Very low210 Ų210151.8 Ų151.891%0.91382%0.817SS**SBendtrans-118.229.6-177.4-87.7-169.3173.2-177.10116
683S26.9Very low27.9Very low106 Ų106151.8 Ų151.874%0.74182%0.817SS**SBendtrans-131.713.6178.154.40000115.3
684T26.7Very low27.9Very low125 Ų125150.7 Ų150.777%0.76782%0.816SS**  trans-132.153.5-171.344.60000114
685S24.6Very low27.8Very low107 Ų107147.2 Ų147.275%0.74881%0.809SS**  trans-146.946.9177.370.70000115.8
686L29.9Very low27.7Very low172 Ų172143.4 Ų143.490%0.90181%0.805SS**SBendtrans-126.778.7167.4-75.8177.8000112.4
687L27.9Very low27.5Very low155 Ų155143.2 Ų143.281%0.81280%0.799SS**  trans24.9100.8147.1-63169.7000119.9
688L24.2Very low27.5Very low163 Ų163142.4 Ų142.485%0.85380%0.801SS**  26.1111.4121.2-72.1161.3000119.1
689S27.6Very low27.3Very low113 Ų113141.8 Ų141.879%0.7981%0.81SS**  -155.5137.1125.458.70000111
690P36.7Very low26.9Very low113 Ų113139.8 Ų139.873%0.73481%0.806SS**  trans-105.5143.6179.336.7-30.6000112.7
691F26.9Very low26.7Very low200 Ų200139 Ų13988%0.87780%0.803SS**  trans-139.2118.1166-108.5-85000113.6
692C23.1Very low26.4Very low112 Ų112140.8 Ų140.876%0.75781%0.811SS**  trans33.5116.4155-60.80000121.4
693N22.3Very low26.1Very low151 Ų151138.5 Ų138.581%0.80781%0.808SS**  trans-37.6139.5152.6-55.7-21000114.7
694T28.5Very low26.1Very low135 Ų135138 Ų13883%0.82881%0.81SS**  trans-13186.4148.838.30000109.8I696T694-I696 PolarHBondContact O-N 2.92Å
695T24.2Very low26Very low119 Ų119137.7 Ų137.773%0.7381%0.813SS**  trans-69.2115.5171.243.60000110.3
696I26.3Very low26.2Very low167 Ų167140 Ų14086%0.85682%0.815SS**  trans-104.698.1164.3-60.6180000107.1T694T694-I696 PolarHBondContact O-N 2.92Å
697E23Very low25.9Very low171 Ų171140.5 Ų140.580%0.79981%0.813SS**  trans-91.2174.6172.5-69.9-166.4125.200111.9
698A25.1Very low25.9Very low100 Ų100138.6 Ų138.683%0.82681%0.81SS**  trans6892.316200000117.5
699G28Very low25.9Very low83 Ų83137.4 Ų137.486%0.85680%0.804SS**  trans-153.361.9166.300000110.6
700I22.9Very low25.7Very low154 Ų154142.7 Ų142.779%0.7981%0.807SS**  trans-87.5149.8-169-49.8178.1000111.2
701S24.4Very low25Very low103 Ų103143.7 Ų143.772%0.7281%0.811SS**  trans62.9109.1159.450.60000118.7
702E27.5Very low24.9Very low198 Ų198142.3 Ų142.393%0.92581%0.807SS**  -139.7140.4114.6-145.2165.9-153.400110.4
703L22.1Very low24.9Very low162 Ų162142.4 Ų142.485%0.84880%0.804SS**  trans-104.4112.2-176.9-88.4153.2000109.5
704A27.2Very low24.8Very low95 Ų95140.7 Ų140.779%0.78580%0.804SS**  trans-128.798.3172.500000110.1I706A704-I706 PolarHBondContact O-N 3.08Å
705S24.8Very low24.7Very low118 Ų118139.1 Ų139.183%0.82580%0.795SS**  trans-77.3103.4-173.2-53.10000112.6
706I28Very low24.6Very low156 Ų156139 Ų13980%0.879%0.794SS**  trans-135.7111.8163.6-55.4-179.3000108A704 P708A704-I706 PolarHBondContact O-N 3.08Å; I706-P708 WeakPolarHBondContact O-CD 3.3Å
707E23.6Very low24.6Very low182 Ų182137.9 Ų137.985%0.8579%0.789SS**  trans-73.6124.5178.7-70.9-172.4129.500111.2N709E707-N709 PolarHBondContact O-N 3.26Å
708P27.1Very low24.6Very low115 Ų115137.7 Ų137.775%0.74779%0.788SS**  trans-86.891.1-177.533.7-33.4000110.9I706 R710I706-P708 WeakPolarHBondContact O-CD 3.3Å; P708-R710 PolarHBondContact O-N 2.66Å
709N24.2Very low24.6Very low138 Ų138137.6 Ų137.674%0.73879%0.787SS**  trans-68.884.6167.8-105.8-35000110.5E707 T711E707-N709 PolarHBondContact O-N 3.26Å; N709-T711 PolarHBondContact O-N 2.91Å
710R23Very low24.5Very low225 Ų225140 Ų14085%0.84979%0.786SS**  trans-66.2110.5162.3-72.7177.1169.6-177.7-3.8108.7P708P708-R710 PolarHBondContact O-N 2.66Å
711T23.4Very low24.7Very low133 Ų133140 Ų14082%0.81678%0.782SS**  trans-97.4112.7146.347.60000108.3N709 V713N709-T711 PolarHBondContact O-N 2.91Å; T711-V713 PolarHBondContact O-N 3.31Å
712E23.5Very low24.9Very low171 Ų171141.2 Ų141.280%0.79979%0.786SS**  trans-41.7120.8175-67.7147.1168.900110.8
713V23.3Very low24.8Very low115 Ų115139.5 Ų139.570%0.69778%0.783SS**  55.775.578.6-175.90000110.5T711 T715T711-V713 PolarHBondContact O-N 3.31Å; V713-T715 VanDerWaalsContact C-N 3.29Å; V713-T715 HydrophobicContact CG1-CG2 3.79Å; V713-T715 PolarHBondContact O-N 2.82Å; V713-T715 VanDerWaalsContact O-N 3.14Å
714S21.6Very low25.2Very low115 Ų115138.3 Ų138.380%0.80478%0.777SS**  trans-74.585.2154.658.50000108.6T716S714-T716 PolarHBondContact O-N 3.4Å
715T24.9Very low25.1Very low102 Ų102140.2 Ų140.263%0.62678%0.783SS**  trans-62.7108.1169.3270000109.4V713 D717V713-T715 VanDerWaalsContact C-N 3.29Å; V713-T715 HydrophobicContact CG1-CG2 3.79Å; V713-T715 PolarHBondContact O-N 2.82Å; V713-T715 VanDerWaalsContact O-N 3.14Å; T715-D717 PolarHBondContact O-N 2.8Å
716T23.7Very low25.3Very low117 Ų117140.8 Ų140.872%0.71878%0.777SS**  trans-72.2104.4158.449.40000107.4S714 H718S714-T716 PolarHBondContact O-N 3.4Å; T716-H718 PolarHBondContact O-N 3.26Å
717D24.8Very low25.3Very low142 Ų142137.4 Ų137.476%0.75977%0.765SS**  trans-6688.1-173-67.2-44.1000112.8T715 A719T715-D717 PolarHBondContact O-N 2.8Å; D717-A719 PolarHBondContact O-N 3.14Å
718H23.8Very low25.6Very low168 Ų168135.5 Ų135.578%0.77876%0.761SS**  trans-77.980.5159.2-81.5-52.8000109.4T716 T720T716-H718 PolarHBondContact O-N 3.26Å; H718-T720 PolarHBondContact O-N 3Å; H718-T720 VanDerWaalsContact O-N 3.09Å
719A24.5Very low26.1Very low97 Ų97134.4 Ų134.480%0.80275%0.752SS**  trans-53.1115168.200000109.9D717D717-A719 PolarHBondContact O-N 3.14Å
720T26.9Very low26.5Very low134 Ų134130.7 Ų130.782%0.82274%0.736SS**  trans-102126.5166.735.30000108.1H718H718-T720 PolarHBondContact O-N 3Å; H718-T720 VanDerWaalsContact O-N 3.09Å
721E26.1Very low27.1Very low154 Ų154124.4 Ų124.472%0.7272%0.722SS**  trans-70.3135.2-171.6-55.9155.3132.700111
722T28Very low27.7Very low129 Ų129126.3 Ų126.379%0.79172%0.719SS**  trans-170.2107.613410.90000110.6N724T722-N724 PolarHBondContact O-N 3.04Å
723D26.8Very low28.6Very low161 Ų161123.6 Ų123.686%0.86171%0.709SS**  trans-64.4123.8169.6-63.7-72.4000110.5
724N29.4Very low29Very low138 Ų138127 Ų12774%0.73871%0.71SS**  trans-136.2119.3165.6-97.6-55.7000108.5T722 L726T722-N724 PolarHBondContact O-N 3.04Å; N724-L726 PolarHBondContact O-N 3.48Å
725C25.3Very low29.7Very low135 Ų135124.2 Ų124.291%0.91269%0.694SS**  trans-6890.2-161.4-58.40000113.9C727C725-C727 PolarHBondContact O-N 3.27Å
726L29.2Very low30.1Very low130 Ų130126.6 Ų126.668%0.68170%0.695SS**  trans-81.495.7173.8-93.7154.4000111.4N724 C730N724-L726 PolarHBondContact O-N 3.48Å; L726-C730 HydrophobicContact CD2-CB 3.72Å
727C27.4Very low30.6Very low84 Ų84124.2 Ų124.257%0.56868%0.683SS**  trans-43.4140.2173.4179.30000113.1C725 V729 C730C725-C727 PolarHBondContact O-N 3.27Å; C727-V729 PolarHBondContact O-N 3.48Å; C727-C730 WeakPolarHBondContact O-CB 3.19Å; C727-C730 PolarHBondContact O-N 3.49Å
728L30.7Very low31.1Very low143 Ų143123.2 Ų123.275%0.74968%0.678SS**Hα-helixtrans-52.7-24.6-172.3-164.368.2000114.9C730 V731 K732L728-C730 VanDerWaalsContact C-N 3.27Å; L728-C730 PolarHBondContact O-N 3.14Å; L728-V731 PolarHBondContact O-N 3.07Å; L728-K732 PolarHBondContact O-N 3.45Å
729V38.5Very low31.7Very low92 Ų92120.2 Ų120.256%0.55867%0.671SS**Hα-helixtrans-55.6-40.6173179.60000111.7C727 V731 K732 L733C727-V729 PolarHBondContact O-N 3.48Å; V729-V731 PolarHBondContact O-N 3.2Å; V729-K732 PolarHBondContact O-N 3.4Å; V729-L733 HydrophobicContact CG1-CD1 4.06Å; V729-L733 PolarHBondContact O-N 3.42Å; V729-L733 VanDerWaalsContact O-N 3.13Å
730C31.1Very low32.2Very low60 Ų60120.8 Ų120.841%0.40566%0.664SS.*Hα-helixtrans-68.2-33-177.4-68.20000112.8L726 C727 L728 L733 R734L726-C730 HydrophobicContact CD2-CB 3.72Å; C727-C730 WeakPolarHBondContact O-CB 3.19Å; C727-C730 PolarHBondContact O-N 3.49Å; L728-C730 VanDerWaalsContact C-N 3.27Å; L728-C730 PolarHBondContact O-N 3.14Å; C730-L733 PolarHBondContact O-N 2.94Å; C730-R734 WeakPolarHBondContact O-CB 3.28Å; C730-R734 PolarHBondContact O-N 2.9Å
731V36.6Very low32.5Very low93 Ų93124.4 Ų124.456%0.56466%0.663SS**Hα-helixtrans-65.5-46.3176.7-177.40000110.3L728 V729 L733 R734 A735L728-V731 PolarHBondContact O-N 3.07Å; V729-V731 PolarHBondContact O-N 3.2Å; V731-L733 VanDerWaalsContact C-N 3.34Å; V731-L733 PolarHBondContact O-N 3.12Å; V731-R734 PolarHBondContact O-N 3.47Å; V731-A735 PolarHBondContact O-N 3.35Å
732K36.7Very low32.8Very low172 Ų172120.8 Ų120.875%0.74866%0.659SS**Hα-helixtrans-65.3-34.6178.7-115.9173.5-178.7172.80113L728 V729 K736L728-K732 PolarHBondContact O-N 3.45Å; V729-K732 PolarHBondContact O-N 3.4Å; K732-K736 PolarHBondContact O-N 3.21Å
733L40.8Very low33Very low114 Ų114120.7 Ų120.760%0.59766%0.658SS**Hα-helixtrans-71.6-41.6174-74.6171.8000112.6V729 C730 V731 A735 K736 S737V729-L733 HydrophobicContact CG1-CD1 4.06Å; V729-L733 PolarHBondContact O-N 3.42Å; V729-L733 VanDerWaalsContact O-N 3.13Å; C730-L733 PolarHBondContact O-N 2.94Å; V731-L733 VanDerWaalsContact C-N 3.34Å; V731-L733 PolarHBondContact O-N 3.12Å; L733-A735 VanDerWaalsContact C-N 3.34Å; L733-A735 PolarHBondContact O-N 2.99Å; L733-K736 PolarHBondContact O-N 3.31Å; L733-S737 WeakPolarHBondContact O-CB 3.43Å; L733-S737 PolarHBondContact O-N 3.15Å
734R32.3Very low33.1Very low188 Ų188117.4 Ų117.471%0.70965%0.648SS**Hα-helixtrans-67.5-34.9179.6-150.5170.5-165.1167.13.5112.1C730 V731 S737 L738C730-R734 WeakPolarHBondContact O-CB 3.28Å; C730-R734 PolarHBondContact O-N 2.9Å; V731-R734 PolarHBondContact O-N 3.47Å; R734-S737 PolarHBondContact O-N 3.01Å; R734-L738 PolarHBondContact O-N 2.81Å
735A35.9Very low33.2Very low56 Ų56117 Ų11746%0.46365%0.651SS.*Hα-helixtrans-61.2-48.3171.500000112.5V731 L733 L738 V739V731-A735 PolarHBondContact O-N 3.35Å; L733-A735 VanDerWaalsContact C-N 3.34Å; L733-A735 PolarHBondContact O-N 2.99Å; A735-L738 PolarHBondContact O-N 3.36Å; A735-V739 PolarHBondContact O-N 3.49Å
736K33.8Very low33.2Very low151 Ų151118.2 Ų118.266%0.65765%0.648SS**Hα-helixtrans-63.7-40.8175-84.7-168.6170.5-173.30112.4K732 L733 L738 V739 T740K732-K736 PolarHBondContact O-N 3.21Å; L733-K736 PolarHBondContact O-N 3.31Å; K736-L738 PolarHBondContact O-N 2.99Å; K736-V739 PolarHBondContact O-N 2.94Å; K736-T740 PolarHBondContact O-N 3.19Å; K736-T740 VanDerWaalsContact O-N 3.09Å; K736-T740 PolarHBondContact O-OG1 2.92Å
737S35.1Very low33.1Very low67 Ų67116.1 Ų116.147%0.46965%0.649SS.*Hα-helixtrans-59.4-43.3178.5-179.70000112.7L733 R734 T740 R741L733-S737 WeakPolarHBondContact O-CB 3.43Å; L733-S737 PolarHBondContact O-N 3.15Å; R734-S737 PolarHBondContact O-N 3.01Å; S737-T740 WeakPolarHBondContact CA-OG1 3.19Å; S737-T740 PolarHBondContact O-N 3.03Å; S737-T740 PolarHBondContact O-OG1 2.8Å; S737-R741 PolarHBondContact O-N 3.37Å; S737-R741 VanDerWaalsContact O-N 3.14Å
738L34.3Very low33.1Very low122 Ų122117.8 Ų117.864%0.63966%0.657SS**Hα-helixtrans-65.2-41.8177.6-81.1164.9000112.6R734 A735 K736 T740 R741 A742R734-L738 PolarHBondContact O-N 2.81Å; A735-L738 PolarHBondContact O-N 3.36Å; K736-L738 PolarHBondContact O-N 2.99Å; L738-T740 VanDerWaalsContact C-N 3.32Å; L738-T740 PolarHBondContact O-N 3.45Å; L738-R741 PolarHBondContact O-N 3.03Å; L738-R741 VanDerWaalsContact O-N 3.13Å; L738-A742 PolarHBondContact O-N 3.28Å
739V35.8Very low32.8Very low105 Ų105116.9 Ų116.964%0.63666%0.657SS**Hα-helixtrans-60.6-41.7174.91760000111A735 K736 R741 A742A735-V739 PolarHBondContact O-N 3.49Å; K736-V739 PolarHBondContact O-N 2.94Å; V739-R741 VanDerWaalsContact C-N 3.28Å; V739-R741 PolarHBondContact O-N 3.39Å; V739-A742 PolarHBondContact O-N 3.3Å
740T35.9Very low32.2Very low108 Ų108120.6 Ų120.666%0.66367%0.665SS**Hα-helixtrans-68.8-20.4176.647.70000114.7K736 S737 L738K736-T740 PolarHBondContact O-N 3.19Å; K736-T740 VanDerWaalsContact O-N 3.09Å; K736-T740 PolarHBondContact O-OG1 2.92Å; S737-T740 WeakPolarHBondContact CA-OG1 3.19Å; S737-T740 PolarHBondContact O-N 3.03Å; S737-T740 PolarHBondContact O-OG1 2.8Å; L738-T740 VanDerWaalsContact C-N 3.32Å; L738-T740 PolarHBondContact O-N 3.45Å
741R33Very low31.9Very low211 Ų211124 Ų12480%0.79669%0.685SS**THydrogen-bonded Turntrans-95.34.9179.7-127.4-177.784.8155.45.6114.6S737 L738 V739S737-R741 PolarHBondContact O-N 3.37Å; S737-R741 VanDerWaalsContact O-N 3.14Å; L738-R741 PolarHBondContact O-N 3.03Å; L738-R741 VanDerWaalsContact O-N 3.13Å; V739-R741 VanDerWaalsContact C-N 3.28Å; V739-R741 PolarHBondContact O-N 3.39Å
742A32.5Very low31.4Very low78 Ų78126.4 Ų126.465%0.64569%0.694SS**SBendtrans-100.1-2.1177.600000114L738 V739L738-A742 PolarHBondContact O-N 3.28Å; V739-A742 PolarHBondContact O-N 3.3Å
743V31.2Very low30.7Very low126 Ų126123.6 Ų123.676%0.76470%0.703SS**SBendtrans-11127.7-171.7-161.60000111.9
744S29.6Very low30Very low93 Ų93121.1 Ų121.165%0.6571%0.705SS**  trans-139.454.8-17570.60000113.7
745T31Very low29.7Very low130 Ų130119.2 Ų119.280%0.79871%0.714SS**  trans-141.3117.5163.750.10000109.4
746D26Very low29.1Very low159 Ų159128.2 Ų128.285%0.8574%0.736SS**  trans-67.2134.1-177.6-77.7-70.9000113.7
747A28.1Very low28.4Very low86 Ų86129.7 Ų129.771%0.71175%0.748SS**  trans-147.579.5162.300000109.2V749A747-V749 PolarHBondContact O-N 3.28Å
748V26.4Very low28.1Very low120 Ų120131.8 Ų131.873%0.72776%0.76SS**  trans-71.285.2-175-176.70000111.3K750V748-K750 HydrophobicContact CG1-CG 4.46Å; V748-K750 PolarHBondContact O-N 3.13Å
749V25.2Very low27.5Very low123 Ų123134.3 Ų134.375%0.74577%0.773SS**  trans-88.996.4168.2-176.60000108.8A747 V751A747-V749 PolarHBondContact O-N 3.28Å; V749-V751 HydrophobicContact CG1-CG2 4.43Å; V749-V751 PolarHBondContact O-N 3.19Å
750K24.2Very low27Very low170 Ų170135.3 Ų135.374%0.73978%0.779SS**  trans-63127.4169.1-72.5-177.2175.7-177.80110.2V748V748-K750 HydrophobicContact CG1-CG 4.46Å; V748-K750 PolarHBondContact O-N 3.13Å
751V25.8Very low26.5Very low133 Ų133138 Ų13881%0.80678%0.784SS**  trans-127.9115.3157.4-177.50000106V749V749-V751 HydrophobicContact CG1-CG2 4.43Å; V749-V751 PolarHBondContact O-N 3.19Å
752D26.2Very low26.2Very low142 Ų142137.8 Ų137.876%0.75979%0.792SS**  trans-71.8150.6-167.3-69.3-64.1000113.4G754D752-G754 PolarHBondContact O-N 3.37Å
753A22.7Very low26Very low113 Ų113139.7 Ų139.793%0.93480%0.796SS**  trans-71.9126.8-172.900000112.8
754G24.3Very low25.7Very low63 Ų63138.1 Ų138.165%0.64980%0.796SS**  trans-142.4131.5174.800000112.4D752D752-G754 PolarHBondContact O-N 3.37Å
755T26.5Very low25.5Very low147 Ų147142 Ų14290%0.90281%0.808SS**  trans5398.3169.749.10000117.8
756R23.2Very low25.4Very low245 Ų245144.3 Ų144.393%0.92581%0.809SS**  trans-60150.4161.4-61.5166.2170.4161.7-7111.6
757M20.3Very low25.3Very low182 Ų182145 Ų14590%0.89780%0.804SS**  trans-125.5151.2142.6-74.3-163.873.300109.7
758P27.5Very low25.2Very low112 Ų112148.3 Ų148.373%0.72781%0.81SS**  trans-100.3157.6-159.237.6-34.9000115.2
759L22.9Very low25.2Very low174 Ų174148.5 Ų148.591%0.91181%0.807SS**  trans-75.7134.7163.1-64.6160000110.3
760V24.8Very low25.4Very low126 Ų126151.6 Ų151.676%0.76481%0.81SS**  trans-144.4104.4153.1-174.80000110.1
761E25Very low25.5Very low165 Ų165150.9 Ų150.977%0.77181%0.813SS**  trans21.3118.8144.7-60.1173.6168.800120.7
762H26.1Very low25.5Very low207 Ų207150.4 Ų150.496%0.95881%0.81SS**  trans-86.5107.7157.4-96-97.4000110.4
763T28.7Very low25.4Very low118 Ų118152.1 Ų152.172%0.72481%0.813SS**  trans-89.4122.9175.253.40000112.5
764A25.6Very low25.6Very low93 Ų93152.6 Ų152.677%0.76981%0.805SS**  trans13.1110.7160.800000119.1
765I25.6Very low25.6Very low174 Ų174158.6 Ų158.689%0.89282%0.816SS**PPolyproline II helixtrans-92.6122.6152.4-63.4176.6000107.1
766Q27.5Very low25.6Very low178 Ų178159 Ų15983%0.83281%0.813SS**PPolyproline II helixtrans-79.8155.3-177.9-72.4-179.9-31.200112.1
767K25.5Very low25.6Very low173 Ų173155.3 Ų155.375%0.75281%0.81SS**PPolyproline II helixtrans-57.6149168.5-64.2-177.3172-166.20110.8
768L25.5Very low25.8Very low157 Ų157152.6 Ų152.682%0.82280%0.804SS**  trans-126.891.5157.2-166.576.6000108.1K770L768-K770 PolarHBondContact O-N 3.34Å
769D27Very low25.6Very low124 Ų124153.2 Ų153.266%0.66381%0.805SS**  trans-66130.7178.8-56.3-63.6000109.7
770K28Very low25.7Very low187 Ų187151.5 Ų151.581%0.81380%0.802SS**  trans-124.6125.8163.4-81.7-167.7171.7-172.80108.4L768L768-K770 PolarHBondContact O-N 3.34Å
771I27Very low25.6Very low155 Ų155151.5 Ų151.580%0.79580%0.802SS**PPolyproline II helixtrans-72.5131.3-168.1-62.2162.1000109.2E773I771-E773 HydrophobicContact CG2-CG 4.27Å
772V24.7Very low25.6Very low124 Ų124148.3 Ų148.375%0.75280%0.804SS**PPolyproline II helixtrans-100.7120.9160.7176.70000105.9T774V772-T774 PolarHBondContact O-N 3.31Å
773E25.1Very low25.6Very low178 Ų178143.2 Ų143.283%0.83279%0.792SS**PPolyproline II helixtrans-76.5117.9-179.8-64.1-179.7148.100109.2I771I771-E773 HydrophobicContact CG2-CG 4.27Å
774T27.1Very low25.4Very low123 Ų123144.2 Ų144.276%0.75579%0.786SS**  trans-97.5114.5178.740.90000110.2V772V772-T774 PolarHBondContact O-N 3.31Å
775E25Very low25.4Very low189 Ų189146.4 Ų146.488%0.88379%0.785SS**  trans-67.5144176.3-65.9-167.8136.800111.7L777E775-L777 PolarHBondContact O-N 3.38Å
776N25.7Very low25.2Very low155 Ų155144.3 Ų144.383%0.82978%0.784SS**  trans-75.4107-161-67.5-83.3000113.7T778N776-T778 PolarHBondContact O-N 2.76Å
777L22.9Very low25Very low167 Ų167140.5 Ų140.587%0.87478%0.783SS**  trans-82.699.3162.5-85.7165.5000110.7E775 V779E775-L777 PolarHBondContact O-N 3.38Å; L777-V779 PolarHBondContact O-N 2.97Å; L777-V779 VanDerWaalsContact O-N 3.1Å
778T24.2Very low24.8Very low125 Ų125139.4 Ų139.477%0.76778%0.782SS**  trans-71.799.6179.751.50000112.2N776 V780N776-T778 PolarHBondContact O-N 2.76Å; T778-V780 PolarHBondContact O-N 2.94Å
779V24.6Very low24.8Very low125 Ų125140.8 Ų140.876%0.75879%0.785SS**  trans-72.4116.6175.91790000110.9L777 V781L777-V779 PolarHBondContact O-N 2.97Å; L777-V779 VanDerWaalsContact O-N 3.1Å; V779-V781 PolarHBondContact O-N 3.44Å
780V23.7Very low24.7Very low138 Ų138140.6 Ų140.684%0.83679%0.788SS**  trans-74.7110173.2178.50000109.6T778 A782T778-V780 PolarHBondContact O-N 2.94Å; V780-A782 PolarHBondContact O-N 3.37Å
781V24.1Very low24.5Very low127 Ų127140.4 Ų140.477%0.7779%0.79SS**  trans-79.998.3-178.1-179.10000110.7V779V779-V781 PolarHBondContact O-N 3.44Å
782A24.8Very low24.3Very low97 Ų97138.6 Ų138.680%0.80279%0.79SS**  trans-77.8118.6165.600000110.1V780V780-A782 PolarHBondContact O-N 3.37Å
783S24.5Very low24.2Very low101 Ų101138.7 Ų138.771%0.70679%0.791SS**  trans-86139.4-177.856.40000112.9
784K25.4Very low24.2Very low139 Ų139139 Ų13960%0.60479%0.792SS**  28138.8124.4-71.6-172.7-177.6-1780119
785D25.1Very low24Very low139 Ų139138.9 Ų138.974%0.74379%0.791SS**  cis-145.8147.115.9-78.1-58.9000111.3
786C21.3Very low23.9Very low129 Ų129138.8 Ų138.887%0.87279%0.791SS**  trans-148.272.8168.7-94.90000111M788C786-M788 PolarHBondContact O-N 3.21Å
787A24.2Very low23.7Very low99 Ų99136.9 Ų136.982%0.81879%0.788SS**  trans-81.398.217400000110.5
788M21.7Very low23.7Very low150 Ų150133.4 Ų133.474%0.73978%0.784SS**  trans-93.599174.6-72-67.9-68.200110.3C786 T790C786-M788 PolarHBondContact O-N 3.21Å; M788-T790 PolarHBondContact O-N 2.83Å
789E24.6Very low23.7Very low186 Ų186136.1 Ų136.187%0.86979%0.787SS**  trans-67.8117.8170.1-64.1-171147.900109.6E791E789-E791 PolarHBondContact O-N 3.12Å
790T25.5Very low23.7Very low120 Ų120136 Ų13674%0.73679%0.787SS**  trans-88.998.4-179.153.70000110.8M788 C792M788-T790 PolarHBondContact O-N 2.83Å; T790-C792 PolarHBondContact O-N 3.4Å
791E24.1Very low23.8Very low182 Ų182136.1 Ų136.185%0.8578%0.783SS**  trans-57.6124.5168.4-66.1-170.4128.700110.5E789 V793E789-E791 PolarHBondContact O-N 3.12Å; E791-V793 PolarHBondContact O-N 2.97Å
792C22.7Very low23.7Very low118 Ų118136.5 Ų136.580%0.79779%0.786SS**  trans-77.492.1179.4-65.30000110.9T790 Q794T790-C792 PolarHBondContact O-N 3.4Å; C792-Q794 PolarHBondContact O-N 2.98Å
793V23Very low23.6Very low126 Ų126140.4 Ų140.476%0.76479%0.787SS**  trans-60.8103.3170.3-1790000109.7E791 V795E791-V793 PolarHBondContact O-N 2.97Å; V793-V795 PolarHBondContact O-N 3.23Å; V793-V795 VanDerWaalsContact O-N 3.13Å
794Q23.7Very low23.7Very low184 Ų184142.6 Ų142.686%0.8679%0.791SS**  trans-72.9101.2171.6-75.9-169-56.300109.9C792 Q796C792-Q794 PolarHBondContact O-N 2.98Å; Q794-Q796 PolarHBondContact O-N 3.2Å
795V22.7Very low24Very low121 Ų121141.4 Ų141.473%0.73380%0.798SS**  trans-71.2108.9168.8-177.90000108.5V793 C797V793-V795 PolarHBondContact O-N 3.23Å; V793-V795 VanDerWaalsContact O-N 3.13Å; V795-C797 PolarHBondContact O-N 2.74Å
796Q23.1Very low24Very low187 Ų187142 Ų14287%0.87480%0.801SS**  trans-69.8110.9170-75.1-176.1-43.400109.5Q794 A798Q794-Q796 PolarHBondContact O-N 3.2Å; Q796-A798 PolarHBondContact O-N 2.75Å
797C21.9Very low24.1Very low114 Ų114146.4 Ų146.477%0.7780%0.8SS**  trans-69126.6167.3-60.80000109V795 E799V795-C797 PolarHBondContact O-N 2.74Å; C797-E799 PolarHBondContact O-N 2.88Å
798A23.8Very low24Very low95 Ų95146.7 Ų146.779%0.78580%0.797SS**  trans-70.4116.6177.300000110.5Q796 V800Q796-A798 PolarHBondContact O-N 2.75Å; A798-V800 PolarHBondContact O-N 2.92Å
799E24Very low23.9Very low181 Ų181144.9 Ų144.985%0.84680%0.797SS**  trans-70.6115.8175-65.2-179.714100109.6C797 N801C797-E799 PolarHBondContact O-N 2.88Å; E799-N801 PolarHBondContact O-N 3.44Å
800V24.9Very low23.8Very low123 Ų123142.1 Ų142.175%0.74579%0.793SS**  trans-85.5102177179.20000108.3A798 T802A798-V800 PolarHBondContact O-N 2.92Å; V800-T802 PolarHBondContact O-N 2.92Å
801N24.2Very low23.6Very low141 Ų141144.5 Ų144.575%0.75480%0.796SS**  trans-60.4101.6-179.7-73.8-10.5000112.1E799 E803E799-N801 PolarHBondContact O-N 3.44Å; N801-E803 VanDerWaalsContact C-N 3.33Å; N801-E803 PolarHBondContact O-N 3.2Å
802T23.4Very low23.4Very low135 Ų135141.7 Ų141.783%0.82879%0.791SS**  trans-8963.3174.4560000111.8V800V800-T802 PolarHBondContact O-N 2.92Å
803E23Very low23.4Very low178 Ų178140.5 Ų140.583%0.83278%0.783SS**  trans-108.389.1173.7-70.2-164.6153.300111.8N801N801-E803 VanDerWaalsContact C-N 3.33Å; N801-E803 PolarHBondContact O-N 3.2Å
804N24.8Very low23.3Very low147 Ų147140.7 Ų140.779%0.78678%0.784SS**  trans-161.3123.2144.6-127.1-13000111.4
805P32Very low23.2Very low115 Ų115138.3 Ų138.375%0.74778%0.778SS**  trans-102.887.4-170.437.7-33.5000114.2
806D25.5Very low23.2Very low152 Ų152138.5 Ų138.581%0.81378%0.779SS**  trans-105.931.4168-83.6-50000112.7S808D806-S808 VanDerWaalsContact C-N 3.27Å; D806-S808 PolarHBondContact O-N 3.38Å
807Y23.6Very low23.2Very low220 Ų220136.2 Ų136.286%0.86378%0.778SS**  trans-74.775.9172.5-91.7-87.1000111.4C809Y807-C809 PolarHBondContact O-N 2.8Å
808S22.8Very low23.2Very low106 Ų106135.7 Ų135.774%0.74177%0.774SS**  trans-64.3102.716760.80000109.5D806 V810D806-S808 VanDerWaalsContact C-N 3.27Å; D806-S808 PolarHBondContact O-N 3.38Å; S808-V810 PolarHBondContact O-N 3.42Å; S808-V810 VanDerWaalsContact O-N 3.14Å
809C19.8Very low23.2Very low111 Ų111137.6 Ų137.675%0.7578%0.775SS**  trans-67.7109.7-176.9-66.50000110.6Y807 E811Y807-C809 PolarHBondContact O-N 2.8Å; C809-E811 PolarHBondContact O-N 2.88Å; C809-E811 VanDerWaalsContact O-N 3.16Å
810V20.9Very low23.3Very low128 Ų128133.3 Ų133.378%0.77677%0.771SS**  trans-80.691.2166-1790000107.4S808 V812S808-V810 PolarHBondContact O-N 3.42Å; S808-V810 VanDerWaalsContact O-N 3.14Å; V810-V812 PolarHBondContact O-N 3.31Å
811E20.9Very low23.3Very low171 Ų171134.6 Ų134.680%0.79977%0.774SS**  trans-63.2103.8171.6-66-175.1134.500109.2C809 C813C809-E811 PolarHBondContact O-N 2.88Å; C809-E811 VanDerWaalsContact O-N 3.16Å; E811-C813 PolarHBondContact O-N 3.45Å
812V21.8Very low23.5Very low123 Ų123131.4 Ų131.475%0.74577%0.767SS**  trans-77.690.6173.2-178.70000107.8V810 T814V810-V812 PolarHBondContact O-N 3.31Å; V812-T814 PolarHBondContact O-N 3.22Å; V812-T814 VanDerWaalsContact O-N 3.11Å
813C21Very low23.7Very low93 Ų93130.8 Ų130.863%0.62877%0.768SS**  trans-52.4117.7173.1-660000110E811 D815E811-C813 PolarHBondContact O-N 3.45Å; C813-D815 PolarHBondContact O-N 3.43Å
814T21.1Very low24.2Very low130 Ų130124.3 Ų124.380%0.79874%0.743SS**  trans-81.764.1173.443.50000109.4V812 T816V812-T814 PolarHBondContact O-N 3.22Å; V812-T814 VanDerWaalsContact O-N 3.11Å; T814-T816 PolarHBondContact O-N 3.49Å; T814-T816 VanDerWaalsContact O-N 3.08Å
815D23Very low24.9Very low134 Ų134126 Ų12672%0.71775%0.746SS**  trans-58115.8-179.6-80-8.2000110.1C813 V817C813-D815 PolarHBondContact O-N 3.43Å; D815-V817 VanDerWaalsContact C-N 3.33Å; D815-V817 PolarHBondContact O-N 3.39Å
816T21.8Very low25.1Very low124 Ų124125.7 Ų125.776%0.76174%0.742SS**  trans-74.781.6-171.8530000111.2T814 C818T814-T816 PolarHBondContact O-N 3.49Å; T814-T816 VanDerWaalsContact O-N 3.08Å; T816-C818 VanDerWaalsContact C-N 3.31Å; T816-C818 PolarHBondContact O-N 3.34Å; T816-C818 PolarHBondContact O-SG 3.42Å
817V22.3Very low25.3Very low140 Ų140123 Ų12385%0.84873%0.727SS**  trans-68.992.7168.1-1770000108.3D815D815-V817 VanDerWaalsContact C-N 3.33Å; D815-V817 PolarHBondContact O-N 3.39Å
818C23Very low25.6Very low102 Ų102119.2 Ų119.269%0.68972%0.715SS**  trans-64.2147-174-63.80000111.8T816 A820T816-C818 VanDerWaalsContact C-N 3.31Å; T816-C818 PolarHBondContact O-N 3.34Å; T816-C818 PolarHBondContact O-SG 3.42Å; C818-A820 PolarHBondContact O-N 3.33Å
819V22.7Very low26.2Very low135 Ų135117.2 Ų117.282%0.81871%0.705SS**  trans-63.4121.6165.91790000108
820A26.3Very low26.8Very low91 Ų91119.3 Ų119.375%0.75270%0.702SS**  trans-105.8122.8172.600000109.2C818 A822C818-A820 PolarHBondContact O-N 3.33Å; A820-A822 PolarHBondContact O-N 2.85Å
821D26.3Very low27.1Very low150 Ų150119 Ų11980%0.80270%0.695SS**  trans-68.7117-173.2-65.4-67.2000112.9
822A26.8Very low27.8Very low75 Ų75118.3 Ų118.362%0.6270%0.696SS**  trans-106.177.8166.400000109.1A820 S824A820-A822 PolarHBondContact O-N 2.85Å; A822-S824 VanDerWaalsContact C-N 3.27Å; A822-S824 PolarHBondContact O-N 3.16Å
823S27.9Very low28.5Very low121 Ų121116.3 Ų116.385%0.84669%0.693SS**  trans-77.966.7-174.361.60000112.8
824S33.9Very low28.8Very low43 Ų43114.6 Ų114.630%0.30168%0.681SS.*  trans-156.1118.3176.1170.80000110.4A822 V826 D827A822-S824 VanDerWaalsContact C-N 3.27Å; A822-S824 PolarHBondContact O-N 3.16Å; S824-V826 PolarHBondContact O-N 3.46Å; S824-V826 PolarHBondContact OG-N 3.3Å; S824-D827 WeakPolarHBondContact CB-OD2 3.4Å; S824-D827 PolarHBondContact OG-N 2.87Å; S824-D827 PolarHBondContact OG-OD2 2.99Å
825E38.6Very low29.1Very low182 Ų182112.1 Ų112.185%0.8568%0.682SS**Hα-helixtrans-72.4-19.9172.6-71.9-166.9114.700112.5A829E825-A829 PolarHBondContact O-N 3.33Å
826V37.4Very low29.3Very low108 Ų108115.1 Ų115.166%0.65569%0.685SS**Hα-helixtrans-67-41.9-179.9-173.30000110.9S824 A829 F830S824-V826 PolarHBondContact O-N 3.46Å; S824-V826 PolarHBondContact OG-N 3.3Å; V826-A829 PolarHBondContact O-N 2.86Å; V826-F830 WeakPolarHBondContact O-CB 3.22Å; V826-F830 PolarHBondContact O-N 3.31Å
827D30.2Very low29.3Very low96 Ų96121.9 Ų121.951%0.51370%0.696SS.*Hα-helixtrans-74-32.7-175.6-63.5-70.6000112.7S824 F830 L831S824-D827 WeakPolarHBondContact CB-OD2 3.4Å; S824-D827 PolarHBondContact OG-N 2.87Å; S824-D827 PolarHBondContact OG-OD2 2.99Å; D827-F830 PolarHBondContact O-N 3.28Å; D827-L831 WeakPolarHBondContact O-CB 3.22Å; D827-L831 WeakPolarHBondContact O-CG 3.41Å; D827-L831 PolarHBondContact O-N 3.34Å
828K29.4Very low29.5Very low141 Ų141123.4 Ų123.461%0.61369%0.692SS**Hα-helixtrans-67.4-38.1171.1-73-179.7-179.51720111.7L832K828-L832 WeakPolarHBondContact O-CB 3.49Å; K828-L832 WeakPolarHBondContact O-CG 3.46Å; K828-L832 PolarHBondContact O-N 3.15Å; K828-L832 VanDerWaalsContact O-N 3.13Å
829A35.8Very low29.6Very low64 Ų64125.5 Ų125.553%0.52969%0.691SS.*Hα-helixtrans-65.8-39.3172.300000112.1E825 V826 A833E825-A829 PolarHBondContact O-N 3.33Å; V826-A829 PolarHBondContact O-N 2.86Å; A829-A833 PolarHBondContact O-N 3.31Å; A829-A833 VanDerWaalsContact O-N 3.09Å
830F31.2Very low29.7Very low155 Ų155124.3 Ų124.368%0.6870%0.695SS**Hα-helixtrans-69.2-42.2179.5-158.3-94.8000112.7V826 D827 A833 S834V826-F830 WeakPolarHBondContact O-CB 3.22Å; V826-F830 PolarHBondContact O-N 3.31Å; D827-F830 PolarHBondContact O-N 3.28Å; F830-A833 WeakPolarHBondContact O-CB 3.39Å; F830-A833 PolarHBondContact O-N 2.93Å; F830-A833 VanDerWaalsContact O-N 3.13Å; F830-S834 PolarHBondContact O-N 2.91Å
831L28.6Very low29.4Very low122 Ų122126.5 Ų126.564%0.63969%0.694SS**Hα-helixtrans-69.9-29.9176.8-71.2170.9000113.1D827 A833 S834D827-L831 WeakPolarHBondContact O-CB 3.22Å; D827-L831 WeakPolarHBondContact O-CG 3.41Å; D827-L831 PolarHBondContact O-N 3.34Å; L831-A833 VanDerWaalsContact C-N 3.32Å; L831-S834 PolarHBondContact O-N 3.08Å; L831-S834 PolarHBondContact O-OG 2.79Å
832L34.8Very low29.2Very low156 Ų156126.1 Ų126.182%0.81770%0.697SS**Hα-helixtrans-75.2-18.7170.2-73.3170.9000113.3K828K828-L832 WeakPolarHBondContact O-CB 3.49Å; K828-L832 WeakPolarHBondContact O-CG 3.46Å; K828-L832 PolarHBondContact O-N 3.15Å; K828-L832 VanDerWaalsContact O-N 3.13Å
833A36.3Very low28.9Very low81 Ų81127 Ų12767%0.66970%0.699SS**Hα-helixtrans-79.4-24.6171.700000112.9A829 F830 L831 G835A829-A833 PolarHBondContact O-N 3.31Å; A829-A833 VanDerWaalsContact O-N 3.09Å; F830-A833 WeakPolarHBondContact O-CB 3.39Å; F830-A833 PolarHBondContact O-N 2.93Å; F830-A833 VanDerWaalsContact O-N 3.13Å; L831-A833 VanDerWaalsContact C-N 3.32Å; A833-G835 PolarHBondContact O-N 3.11Å; A833-G835 VanDerWaalsContact O-N 3.12Å
834S26.8Very low28.9Very low56 Ų56128.1 Ų128.139%0.39270%0.701SS.*  trans-79.689.2173.950.80000111.9F830 L831 Y836F830-S834 PolarHBondContact O-N 2.91Å; L831-S834 PolarHBondContact O-N 3.08Å; L831-S834 PolarHBondContact O-OG 2.79Å; S834-Y836 PolarHBondContact O-N 3.35Å
835G28.8Very low28.3Very low79 Ų79134.9 Ų134.981%0.81473%0.728SS**  trans-67.536.117700000116.2A833A833-G835 PolarHBondContact O-N 3.11Å; A833-G835 VanDerWaalsContact O-N 3.12Å
836Y26Very low27.8Very low197 Ų197131 Ų13177%0.77373%0.726SS**  trans-127.9116.3177-63.9-94.4000109.5S834S834-Y836 PolarHBondContact O-N 3.35Å
837W23Very low27.6Very low265 Ų265131.2 Ų131.2100%1.00473%0.731SS**  -157.5105.7126.6-92.898.1000106.4
838K25.7Very low27.3Very low172 Ų172135.1 Ų135.175%0.74875%0.75SS**  trans-125.9135.8-177.2-156.5-173.5-178.9179.60107.7
839H26Very low26.9Very low146 Ų146137.1 Ų137.168%0.67676%0.759SS**  trans67.475.7-179-49.2-82000116.1N841H839-N841 PolarHBondContact O-N 3.3Å
840A23.1Very low26.5Very low110 Ų110141.5 Ų141.591%0.90977%0.774SS**  trans-71.5105.3136.900000106.5
841N21.6Very low26.1Very low137 Ų137139.4 Ų139.473%0.73378%0.778SS**  trans-85136.9-167.9-158.830.1000111.4H839 S843H839-N841 PolarHBondContact O-N 3.3Å; N841-S843 PolarHBondContact O-N 3.05Å
842V20.9Very low25.8Very low142 Ų142140.9 Ų140.986%0.86179%0.785SS**  trans-71.7115.5174.3175.60000108.9
843S21.5Very low25.3Very low94 Ų94136.7 Ų136.766%0.65778%0.78SS**  trans-158.997.5168.8-169.60000113.2N841N841-S843 PolarHBondContact O-N 3.05Å
844T26.3Very low24.6Very low144 Ų144142.8 Ų142.888%0.88379%0.791SS**  trans-145.9114.4140.443.90000107.2
845E22.3Very low24.5Very low185 Ų185148 Ų14886%0.86481%0.814SS**  trans-86.1144.5-176.9-52.2174.2126.700111.5
846A28Very low24.1Very low100 Ų100149.8 Ų149.883%0.82681%0.81SS**  trans179.6123.9136.800000111.1
847P34.3Very low24Very low114 Ų114147.1 Ų147.174%0.7481%0.809SS**  trans-103.8141174.836.1-29.8000112.9
848L23.1Very low24.7Very low178 Ų178139.8 Ų139.893%0.93280%0.796SS**  trans-12399.6157.4-79.6177.6000110.6
849K21.8Very low24.4Very low183 Ų183138 Ų13880%0.79680%0.803SS**  trans-72.8130.3164.3-63.2174.3179.4176.60108.5
850N27.2Very low24.2Very low156 Ų156140.4 Ų140.483%0.83481%0.812SS**  trans-142.260.6157.1-101.7-22.1000110.3I852N850-I852 PolarHBondContact O-N 2.86Å
851S21.1Very low24.4Very low110 Ų110142.1 Ų142.177%0.76981%0.811SS**  trans-78.297.9167.554.10000109.7
852I23.9Very low24.4Very low154 Ų154142.1 Ų142.179%0.7981%0.811SS**  trans-98120.6162.9-62.9-179.6000106.5N850N850-I852 PolarHBondContact O-N 2.86Å
853G23.2Very low24.5Very low68 Ų68141.5 Ų141.570%0.70180%0.802SS**  trans-87.2145-158.900000115
854F23.1Very low24.6Very low209 Ų209145.3 Ų145.392%0.91781%0.81SS**  trans-86106.1157.1-74.3-87000108.7T856F854-T856 PolarHBondContact O-N 3.03Å
855N23.3Very low24.4Very low164 Ų164143.9 Ų143.988%0.87780%0.801SS**  trans-73.4112.4164.1-85.8-9000108.6
856T21Very low24.4Very low117 Ų117142.7 Ų142.772%0.71880%0.795SS**  trans-61.5124.6145.252.10000106.4F854F854-T856 PolarHBondContact O-N 3.03Å
857D23.4Very low24.1Very low142 Ų142144.2 Ų144.276%0.75979%0.794SS**  -179.2169.983-90.4-30000110
858P37.5Very low23.5Very low111 Ų111147.2 Ų147.272%0.72180%0.801SS**  cis-129.2155.8-19.332.7-16.1000113.3K860P858-K860 PolarHBondContact O-N 3.22Å
859C20.6Very low23.5Very low134 Ų134145.7 Ų145.791%0.90579%0.793SS**  trans-76.4112.3169.3-68.20000111.5
860K21.3Very low23.6Very low197 Ų197143.4 Ų143.486%0.85780%0.799SS**  trans-148.484.8157.6-77.1-149.5174.6-159.80112.7P858P858-K860 PolarHBondContact O-N 3.22Å
861T27.4Very low23.4Very low146 Ų146140.8 Ų140.890%0.89679%0.793SS**  trans-135.174.1161510000109.2
862L21.7Very low23.6Very low137 Ų137142 Ų14272%0.71780%0.796SS**  trans-76.8135.8147.9-79.1161.2000105.1
863D23.3Very low23.6Very low128 Ų128139.4 Ų139.468%0.68479%0.791SS**  -170.3174.759.6-92.5-50.2000111.6
864E23.5Very low23.8Very low174 Ų174142.6 Ų142.681%0.81380%0.797SS**  trans75.3102.6155.3-76.2179.8-173.800122.1
865V22.2Very low23.8Very low115 Ų115138.9 Ų138.970%0.69779%0.787SS**  105.1134.2109.7161.80000121.6
866E22.6Very low23.8Very low159 Ų159137.2 Ų137.274%0.74379%0.787SS**  trans64.6120.3161-83.4157.9-15200122.2
867T21Very low24Very low133 Ų133140 Ų14082%0.81679%0.792SS**  trans-65.1123.5163.546.80000111
868M22.4Very low23.9Very low177 Ų177137.6 Ų137.687%0.87279%0.792SS**  trans-93.3127.2162.8-83.3-166.7-75.900110.8C870M868-C870 PolarHBondContact O-N 3.41Å
869D22.7Very low23.2Very low146 Ų146144 Ų14478%0.78180%0.801SS**  trans-66.5112.2176-65.3-61.8000111.1S871D869-S871 PolarHBondContact O-N 2.89Å
870C24.2Very low23.3Very low134 Ų134145.9 Ų145.991%0.90580%0.797SS**  trans-7662174.4-71.80000111.8M868M868-C870 PolarHBondContact O-N 3.41Å
871S23Very low23.6Very low102 Ų102144.3 Ų144.371%0.71380%0.798SS**  trans-93.798.8169.361.20000110.3D869D869-S871 PolarHBondContact O-N 2.89Å
872T25.4Very low23.6Very low136 Ų136145 Ų14583%0.83480%0.795SS**  trans-153.1126.7160.2-3.90000110.3
873S22.5Very low24.5Very low98 Ų98144.5 Ų144.569%0.68580%0.8SS**  trans-65.1145.3176.547.90000112.1
874T27.3Very low24.6Very low135 Ų135141.9 Ų141.983%0.82880%0.803SS**  trans-121.8127.5151.5390000108.4C876T874-C876 PolarHBondContact O-N 2.93Å
875D23.6Very low25.6Very low131 Ų131139.3 Ų139.370%0.70180%0.801SS**  trans-74.2112.7-164-57.8-89000113.4Q877D875-Q877 HydrophobicContact CB-CG 4.16Å; D875-Q877 PolarHBondContact O-N 3.44Å
876C22.9Very low25.8Very low130 Ų130139.2 Ų139.288%0.87881%0.806SS**  trans-89.882.6159.5-70.50000109T874T874-C876 PolarHBondContact O-N 2.93Å
877Q24.9Very low25.7Very low176 Ų176136.8 Ų136.882%0.82281%0.805SS**  trans-61.5135-177.5-68.2-175.3-13.200112.1D875D875-Q877 HydrophobicContact CB-CG 4.16Å; D875-Q877 PolarHBondContact O-N 3.44Å
878A21.5Very low25.8Very low91 Ų91137.8 Ų137.875%0.75281%0.805SS**  trans-63.6145.3177.800000112.3
879R23.3Very low25.8Very low244 Ų244135.5 Ų135.592%0.92180%0.795SS**  trans-121.997.9158.9-88.6-172.3165.5-174-3.7109.6
880E22Very low25.9Very low174 Ų174137.1 Ų137.181%0.81380%0.798SS**  trans-64.1141.5171.1-55.1174.2129.800110.6
881N28.8Very low26Very low165 Ų165136.6 Ų136.688%0.88280%0.797SS**  trans-160.299.3155.5-94.2-48.3000110.3
882L27Very low26.1Very low161 Ų161137.7 Ų137.784%0.84380%0.799SS**  trans-80.3-179.2164.6-82.1154000110.2
883P40.3Very low26.1Very low125 Ų125135.1 Ų135.181%0.81279%0.791SS**  cis-132.1-174.6-20.532.5-13000113
884G26.5Very low26.2Very low73 Ų73136.7 Ų136.775%0.75379%0.791SS**  trans156.4129.4153.500000116.9
885P43.1Very low26.3Very low120 Ų120139 Ų13978%0.77979%0.792SS**  trans-126.4151.7-167.541.1-28.6000117.8
886S25.9Very low26.5Very low113 Ų113138.3 Ų138.379%0.7979%0.793SS**  trans-167.5115143.454.40000109.1
887C21.1Very low26.5Very low108 Ų108138.3 Ų138.373%0.7379%0.793SS**  76.693.650.7-60.30000114.4
888L22.7Very low26.5Very low154 Ų154135.7 Ų135.781%0.80679%0.789SS**  158.9150.9101.1-90.2158.3000115.7
889L24Very low26.7Very low129 Ų129140.2 Ų140.268%0.67580%0.795SS**  trans57.9108.6153.3-61.7163000118.3
890Q23.2Very low26.8Very low180 Ų180137.4 Ų137.484%0.84179%0.789SS**  69.3106.472.5-72.4-171-18.600115.9
891S27.6Very low27Very low124 Ų124134.9 Ų134.987%0.86779%0.785SS**  trans-155.6140.6137.5-174.90000108.4
892T25.3Very low26.7Very low124 Ų124134 Ų13476%0.76178%0.781SS**  trans-126.4174-169.853.80000112.8
893A25.1Very low26.7Very low82 Ų82134.7 Ų134.768%0.67878%0.777SS**  trans73.9125.7-174.500000113.3
894I24.9Very low25.9Very low131 Ų131133.8 Ų133.867%0.67277%0.774SS**  cis67.1103.530.2-47178.7000113.3
895Q29.3Very low25.8Very low184 Ų184135.5 Ų135.586%0.8677%0.773SS**  trans-138138.9146.1-141.8168-0.500110.2
896T26.1Very low24.8Very low116 Ų116134 Ų13471%0.71277%0.765SS**  trans-53.2136.2-173.542.20000114.9
897C24.7Very low24.7Very low130 Ų130135 Ų13588%0.87877%0.767SS**  trans-121.396.8163.4-71.70000109.3
898T24.1Very low24.9Very low121 Ų121136.6 Ų136.674%0.74277%0.768SS**  trans-141.383.7178.546.90000110.4
899E25Very low24.9Very low187 Ų187138.5 Ų138.587%0.87477%0.77SS**  trans-177110.5155.3-110.7170.1-154.200108.9
900F26.8Very low24.9Very low184 Ų184137.7 Ų137.781%0.80777%0.77SS**  trans-163.498.2157-117.7-68000110
901V25.2Very low25Very low121 Ų121133.1 Ų133.173%0.73376%0.763SS**  trans-88152.9164.6170.30000108.6
902D23.6Very low24.9Very low147 Ų147135.3 Ų135.379%0.78676%0.76SS**  trans47.396.4169.4-62.9-16.1000118.9
903K26.2Very low24.8Very low175 Ų175135 Ų13576%0.76176%0.762SS**  trans-117.9103.1140.8-74.6-175.3179.31740109.6
904S24.4Very low24.7Very low106 Ų106137 Ų13774%0.74177%0.77SS**  trans-56.3138.7166.449.20000110.3S906S904-S906 VanDerWaalsContact C-N 3.26Å; S904-S906 PolarHBondContact O-N 3Å
905C22.9Very low24.7Very low109 Ų109136.9 Ų136.974%0.73678%0.781SS**  trans-72.771-170.9-700000113.5
906S23.3Very low24.6Very low88 Ų88131.7 Ų131.762%0.61578%0.777SS**  trans-75.6123.7162.443.40000109.7S904 N908S904-S906 VanDerWaalsContact C-N 3.26Å; S904-S906 PolarHBondContact O-N 3Å; S906-N908 VanDerWaalsContact C-N 3.32Å; S906-N908 PolarHBondContact O-N 3.49Å
907T23.8Very low24.6Very low134 Ų134132 Ų13282%0.82278%0.779SS**  trans-80.767.6-164.736.10000113.5F909T907-F909 PolarHBondContact O-N 3.42Å
908N25Very low24.7Very low143 Ų143132.2 Ų132.277%0.76577%0.771SS**  trans-64.4103.8177.2-83.4-28.6000112.5S906 V910S906-N908 VanDerWaalsContact C-N 3.32Å; S906-N908 PolarHBondContact O-N 3.49Å; N908-V910 PolarHBondContact O-N 3.34Å; N908-V910 VanDerWaalsContact O-N 3.12Å
909F23.1Very low24.7Very low193 Ų193131.2 Ų131.285%0.84677%0.765SS**  trans-75.991.7-179-132.1-99000110.4T907 A911T907-F909 PolarHBondContact O-N 3.42Å; F909-A911 PolarHBondContact O-N 3.42Å
910V23.4Very low24.7Very low112 Ų112131 Ų13168%0.67976%0.761SS**  trans-71.195.4176.3-177.40000110.1N908N908-V910 PolarHBondContact O-N 3.34Å; N908-V910 VanDerWaalsContact O-N 3.12Å
911A25.1Very low25Very low84 Ų84130 Ų13069%0.69476%0.764SS**  trans-86.6102.6170.800000109.7F909 S913F909-A911 PolarHBondContact O-N 3.42Å; A911-S913 PolarHBondContact O-N 3.22Å; A911-S913 VanDerWaalsContact O-N 3.14Å
912H25.3Very low25Very low170 Ų170130.8 Ų130.879%0.78776%0.763SS**  trans-66.3110.4172.7-76-88.9000110.7C914H912-C914 PolarHBondContact O-N 2.91Å
913S23.7Very low25.1Very low117 Ų117129.1 Ų129.182%0.81875%0.754SS**  trans-77.3110.9164.339.60000109.6A911A911-S913 PolarHBondContact O-N 3.22Å; A911-S913 VanDerWaalsContact O-N 3.14Å
914C22.8Very low25.4Very low125 Ų125127.3 Ų127.385%0.84576%0.757SS**  trans-69.5139.8168-71.70000110.2H912H912-C914 PolarHBondContact O-N 2.91Å
915S25.7Very low25.5Very low129 Ų129130.2 Ų130.290%0.90276%0.757SS**  trans-74.7140.9-174.741.70000113.1
916G26.2Very low25.8Very low74 Ų74131.2 Ų131.276%0.76376%0.76SS**  trans-133.5118.6168.400000108.6
917T25.5Very low25.9Very low124 Ų124134.2 Ų134.276%0.76177%0.769SS**  trans-44.3149.1177.555.20000113.2
918D27.2Very low25.9Very low133 Ų133132 Ų13271%0.71176%0.764SS**  -157.7151.656-100.8-57.5000117.6
919T23.8Very low25.9Very low101 Ų101131.1 Ų131.162%0.6276%0.764SS**  trans20.1123.5155.661.80000123.2
920K24.8Very low26Very low182 Ų182127.3 Ų127.379%0.79176%0.757SS**  59.5111.8128.5-59171.9-177.3174.10119.1
921D33.4Very low26Very low163 Ų163129.1 Ų129.187%0.87276%0.762SS**  -149.3158.8123.9-124.6-28.9000113.1
922L26.1Very low26Very low137 Ų137130 Ų13072%0.71776%0.76SS**  trans-95.8131.4-155.8-92.364.7000117.1
923I24.8Very low26Very low113 Ų113129.3 Ų129.358%0.57976%0.757SS**  22.3109.5125.8-49.7170.9000118.6K925I923-K925 HydrophobicContact CG2-CD 4.21Å; I923-K925 HydrophobicContact CG2-CG 4.03Å
924T33.7Very low25.9Very low137 Ų137130.3 Ų130.384%0.8475%0.748SS**  trans-147.297.2141.652.50000108.6
925K25.2Very low25.9Very low167 Ų167131.3 Ų131.373%0.72674%0.738SS**  44.8103.776.6-79.6-173.2176.2175.30115.7I923I923-K925 HydrophobicContact CG2-CD 4.21Å; I923-K925 HydrophobicContact CG2-CG 4.03Å
926T30Very low25.9Very low130 Ų130132.7 Ų132.780%0.79873%0.73SS**  trans163.3115.8132.338.70000108.3
927N25.1Very low25.9Very low151 Ų151136.7 Ų136.781%0.80773%0.733SS**  97.392.966.4-78.811.4000114.1
928A23.6Very low26.1Very low87 Ų87136 Ų13672%0.71973%0.733SS**  72.3157.6124.800000123.1
929T25.5Very low25.9Very low125 Ų125138.6 Ų138.677%0.76774%0.738SS**  trans62.996.9158.844.60000119.8
930T24Very low26.3Very low113 Ų113141.9 Ų141.969%0.69375%0.75SS**  27.1121.1115.457.30000118.4
931N25.1Very low26.3Very low149 Ų149137.9 Ų137.980%0.79775%0.745SS**  -166.1159.4105.9-97.2-10.2000115.3
932T24.4Very low26.1Very low104 Ų104138.4 Ų138.464%0.63875%0.746SS**  trans-30.5171.4174.753.80000121.8
933E24.4Very low26.1Very low155 Ų155136 Ų13672%0.72475%0.745SS**  trans87.295.6150.3-79.4151.1-113.400121.2
934E22.4Very low26.1Very low137 Ų137136.3 Ų136.364%0.6475%0.753SS**  82.2143.1115-80.1-157124.200124.1
935K23.6Very low26.1Very low146 Ų146138 Ų13864%0.63576%0.757SS**  trans77.5113.8142.9-77.6164-177.7143.70121.4
936Q25.5Very low26.1Very low158 Ų158135.4 Ų135.474%0.73876%0.755SS**  79.591.1129.1-66.1179.50.400120.2S938Q936-S938 PolarHBondContact O-N 2.96Å
937I24.8Very low25.8Very low159 Ų159136.7 Ų136.782%0.81576%0.756SS**  34.789.7112.6-49.4170.1000115.4
938S30.4Very low26.1Very low108 Ų108134.9 Ų134.976%0.75575%0.754SS**  trans-97.5114.5159.457.30000110.5Q936Q936-S938 PolarHBondContact O-N 2.96Å
939K24.2Very low26.2Very low189 Ų189138 Ų13882%0.82276%0.759SS**  trans-68.9137.4176-61.2167.6-177.2170.10110.4
940I30.9Very low26.2Very low169 Ų169140 Ų14087%0.86776%0.763SS**  trans-116.2117.1162.9-60.8-178.4000108.4
941S25.5Very low26.2Very low98 Ų98140.6 Ų140.669%0.68577%0.767SS**  trans-146111.817858.30000109.5
942I28.3Very low26.6Very low174 Ų174140.5 Ų140.589%0.89277%0.772SS**  trans-178.5144.1172.8-98.4144.8000105.9
943A26.6Very low26.5Very low86 Ų86140.5 Ų140.571%0.71178%0.776SS**  cis-159.1169.4-25.500000108.2
944T24.4Very low26.7Very low121 Ų121142.4 Ų142.474%0.74278%0.782SS**  trans-60.5147.8176.948.30000114.2
945N34.5Very low26.7Very low171 Ų171141.1 Ų141.191%0.91479%0.788SS**  trans-146.2150.3145.5-104.2-35.3000110.7
946T25.2Very low26.6Very low113 Ų113139.9 Ų139.969%0.69379%0.792SS**  trans-146.6160.1-158.7-23.10000111.5
947I22.4Very low26.6Very low158 Ų158138.6 Ų138.681%0.8180%0.799SS**  trans72.6114.1162.7-54.7153.4000116.9
948S32.6Very low26.4Very low112 Ų112137 Ų13778%0.78380%0.797SS**  -164.5119.4124.561.20000111.5
949N25.6Very low26.3Very low153 Ų153135.5 Ų135.582%0.81880%0.798SS**  trans-83.9158.6164.1-68.1-50.5000110
950I26Very low26.4Very low167 Ų167132.3 Ų132.386%0.85680%0.795SS**  169.1153.6121-87159.4000111.9
951T23.8Very low26.2Very low125 Ų125130.5 Ų130.577%0.76780%0.796SS**  trans-78152.8-171.952.40000116.3
952T33.5Very low26.2Very low147 Ų147133.7 Ų133.790%0.90280%0.8SS**  trans-133164.6144.849.20000110.7
953S22Very low26Very low104 Ų104132.6 Ų132.673%0.72779%0.791SS**  trans-145.4-179.5-164.562.40000112.9
954K28.7Very low26Very low196 Ų196135.7 Ų135.785%0.85280%0.795SS**  trans89153.9178.1-56.2171.9-179.3178.40115.7
955S22.5Very low26.1Very low109 Ų109135.7 Ų135.776%0.76280%0.795SS**  cis-166.2158.7-2851.80000110.9
956V22.3Very low25.8Very low120 Ų120133.5 Ų133.573%0.72779%0.791SS**  trans-56.2143.9-178.7175.80000115V958V956-V958 HydrophobicContact CG1-CG2 3.78Å
957C24.6Very low25.8Very low131 Ų131134.1 Ų134.189%0.88579%0.794SS**  trans-130.2148.3146.8-72.50000109.8
958V21.8Very low26Very low126 Ų126133 Ų13376%0.76479%0.79SS**  trans-126.1144.8-179.7172.90000109V956 T960V956-V958 HydrophobicContact CG1-CG2 3.78Å; V958-T960 HydrophobicContact CG1-CG2 4.14Å
959G27.9Very low25.7Very low76 Ų76132.5 Ų132.578%0.78479%0.786SS**  trans-137.7138.1171.300000111.1
960T26.2Very low25.8Very low122 Ų122135.8 Ų135.875%0.74879%0.787SS**  trans-140.1131.5-170.750.30000111.8V958V958-T960 HydrophobicContact CG1-CG2 4.14Å
961C27.1Very low25.6Very low132 Ų132139 Ų13989%0.89279%0.788SS**  trans-172.9117.1158.3-93.80000105.2
962H23.9Very low25.6Very low164 Ų164143.6 Ų143.676%0.75979%0.791SS**  cis91.2131.334.7-122.2-89.1000114.9
963E24.8Very low25.1Very low151 Ų151142.7 Ų142.771%0.70679%0.786SS**  trans8697.2159.7-48.2-161.7166.600122.1
964D26.4Very low25.2Very low151 Ų151142.2 Ų142.281%0.80779%0.788SS**  95.9154.9110.5-72.617.8000124.2
965T27.4Very low25.1Very low121 Ų121142.2 Ų142.274%0.74279%0.791SS**  trans-100.2165.7-165.965.70000112.5
966P28.2Very low25.1Very low126 Ų126143 Ų14382%0.81879%0.792SS**  -137.2152.8109.637.2-28.3000114.7
967V24.1Very low25.2Very low126 Ų126144.7 Ų144.776%0.76480%0.797SS**  trans-97.7133.5165.2175.90000108.6
968D27.8Very low25.1Very low135 Ų135145 Ų14572%0.72280%0.795SS**  trans-131.1146157.4-160.8-8.4000109.7
969S24.7Very low25.3Very low100 Ų100146.2 Ų146.270%0.69980%0.797SS**  trans-14697.3-165.962.20000111
970R28.6Very low25.1Very low222 Ų222153.5 Ų153.584%0.83880%0.801SS**  trans-129.1110.2177.6-66-168.6179.8-145.5-3.1112.8
971R21.2Very low25.1Very low234 Ų234153.5 Ų153.588%0.88380%0.803SS**  trans-61140.8157-63.2168.5165.3-177.2-6.5109
972R23.7Very low25Very low222 Ų222153.1 Ų153.184%0.83880%0.797SS**  168.5153.5105.8-91.2-180-164.2-162.65.2113
973T24.1Very low25Very low129 Ų129153.7 Ų153.779%0.79180%0.804SS**  trans46.7110.4150.452.50000119.4
974A22.9Very low25Very low93 Ų93154 Ų15477%0.76981%0.81SS**  trans-27.7145149.900000116.5
975E26Very low25Very low196 Ų196154.6 Ų154.692%0.91681%0.813SS**  -144.6152.3128-121.9159.2-141.900109.3
976T22.8Very low24.8Very low126 Ų126153 Ų15377%0.77381%0.807SS**  trans-93.4125-177.1480000110.6
977N24.9Very low24.8Very low156 Ų156152.4 Ų152.483%0.83481%0.806SS**  trans-135.2116.1153.3-92-33000109.7D979N977-D979 PolarHBondContact O-N 3.21Å
978T22.6Very low24.9Very low138 Ų138150 Ų15085%0.84780%0.795SS**  trans-9381.817448.70000109.1
979D26Very low24.8Very low150 Ų150149.1 Ų149.180%0.80279%0.788SS**  trans-101.1134.2160-82-55.4000109.3N977 P981N977-D979 PolarHBondContact O-N 3.21Å; D979-P981 WeakPolarHBondContact O-CD 3.34Å
980R24.5Very low25.1Very low230 Ų230150 Ų15087%0.86879%0.789SS**  trans-115.794-169.8176.3-169.2179.9-169.50.4108.3T982R980-T982 PolarHBondContact O-N 2.87Å
981P24.7Very low25.6Very low121 Ų121145.7 Ų145.779%0.78678%0.778SS**  trans-63129.8171.1-16.330.6000108.7D979D979-P981 WeakPolarHBondContact O-CD 3.34Å
982T24.9Very low26.1Very low125 Ų125141.1 Ų141.177%0.76777%0.767SS**  trans-66.9154.6171.332.30000110.7R980 L984R980-T982 PolarHBondContact O-N 2.87Å; T982-L984 PolarHBondContact O-N 3.35Å; T982-L984 VanDerWaalsContact O-N 3.15Å
983L23.8Very low26.5Very low176 Ų176135.9 Ų135.992%0.92176%0.759SS**  trans-62.6114.8178.4-71.6159.3000109.5
984L25Very low27.2Very low158 Ų158133.2 Ų133.283%0.82774%0.743SS**  trans-84125.1165.1-103.3166.8000108.7T982 S986T982-L984 PolarHBondContact O-N 3.35Å; T982-L984 VanDerWaalsContact O-N 3.15Å; L984-S986 PolarHBondContact O-N 3.38Å
985D26.8Very low27.7Very low162 Ų162134.7 Ų134.787%0.86674%0.736SS**  trans-55.4125.6176.4-73.1-58.9000111.4
986S23.8Very low27.9Very low88 Ų88132.9 Ų132.962%0.61573%0.725SS**  trans-155.886.4167.845.40000110.3L984 S988L984-S986 PolarHBondContact O-N 3.38Å; S986-S988 PolarHBondContact O-N 3.05Å
987S26.8Very low28.3Very low113 Ų113130.3 Ų130.379%0.7971%0.712SS**  trans-66.359.8167.841.80000111.6
988S27.3Very low29Very low77 Ų77129.2 Ų129.254%0.53870%0.7SS.*  trans-14634.4-16865.50000114.4S986S986-S988 PolarHBondContact O-N 3.05Å
989M25.2Very low29.6Very low116 Ų116125 Ų12557%0.57168%0.679SS**  trans-12927.4170.6-91.4-67.1105.800114.5E991 Q992M989-E991 PolarHBondContact O-N 3.01Å; M989-Q992 PolarHBondContact O-N 2.83Å; M989-Q992 HydrophobicContact SD-CG 3.79Å
990T32Very low30Very low118 Ų118121.2 Ų121.272%0.72466%0.661SS**THydrogen-bonded Turntrans-59.3-11.5166.935.50000113.8
991E37.9Very low30.6Very low131 Ų131112.7 Ų112.761%0.61264%0.64SS**Hα-helixtrans-80.6-24.4178-68.8-154.3114.300115.5M989 T993 V994 M995M989-E991 PolarHBondContact O-N 3.01Å; E991-T993 PolarHBondContact O-N 3.03Å; E991-V994 CarbonylContact O-C 3.45Å; E991-V994 PolarHBondContact O-N 3.24Å; E991-M995 WeakPolarHBondContact O-CB 3.29Å; E991-M995 WeakPolarHBondContact O-CG 3.44Å; E991-M995 PolarHBondContact O-N 3.49Å
992Q31.9Very low31.4Very low139 Ų139110.9 Ų110.965%0.6563%0.627SS**Hα-helixtrans-72.2-32.7-175.3-74.8-166.912.300113.6M989 M995 F996M989-Q992 PolarHBondContact O-N 2.83Å; M989-Q992 HydrophobicContact SD-CG 3.79Å; Q992-M995 PolarHBondContact O-N 3.11Å; Q992-F996 PolarHBondContact O-N 3.21Å
993T33.4Very low31.7Very low111 Ų111108.4 Ų108.468%0.68162%0.615SS**Hα-helixtrans-73.2-32.4172.5-41.50000111.9E991 F996 S997E991-T993 PolarHBondContact O-N 3.03Å; T993-F996 PolarHBondContact O-N 3.07Å; T993-S997 WeakPolarHBondContact O-CB 3.49Å; T993-S997 PolarHBondContact O-N 3.34Å; T993-S997 PolarHBondContact O-OG 3.19Å
994V36.9Very low32.1Very low73 Ų73105.8 Ų105.844%0.44260%0.601SS.*Hα-helixtrans-72.4-35.1173.3179.70000111E991 S997 K998E991-V994 CarbonylContact O-C 3.45Å; E991-V994 PolarHBondContact O-N 3.24Å; V994-S997 WeakPolarHBondContact CA-OG 3.26Å; V994-S997 PolarHBondContact O-OG 2.77Å; V994-K998 HydrophobicContact CG1-CD 4.26Å; V994-K998 HydrophobicContact CG1-CG 4.49Å; V994-K998 VanDerWaalsContact O-CB 3.23Å; V994-K998 WeakPolarHBondContact O-CB 3.45Å; V994-K998 PolarHBondContact O-N 3.04Å
995M34.7Very low32.7Very low125 Ų125106.7 Ų106.762%0.61660%0.598SS**Hα-helixtrans-68.6-38171.1-82.7-66.1-160.200112E991 Q992 A999E991-M995 WeakPolarHBondContact O-CB 3.29Å; E991-M995 WeakPolarHBondContact O-CG 3.44Å; E991-M995 PolarHBondContact O-N 3.49Å; Q992-M995 PolarHBondContact O-N 3.11Å; M995-A999 WeakPolarHBondContact O-CA 3.4Å; M995-A999 WeakPolarHBondContact O-CB 3.45Å; M995-A999 PolarHBondContact O-N 2.97Å
996F30.6Very low33.2Very low158 Ų158104.5 Ų104.569%0.69359%0.591SS**Hα-helixtrans-69.4-42.5176-152.1-92.8000111.9Q992 T993 A999 V1000Q992-F996 PolarHBondContact O-N 3.21Å; T993-F996 PolarHBondContact O-N 3.07Å; F996-A999 PolarHBondContact O-N 3.16Å; F996-V1000 HydrophobicContact CD1-CG2 4.11Å; F996-V1000 HydrophobicContact CE1-CG2 4.02Å; F996-V1000 WeakPolarHBondContact O-CB 3.49Å; F996-V1000 VanDerWaalsContact O-CG2 3.29Å; F996-V1000 WeakPolarHBondContact O-CG2 3.41Å; F996-V1000 PolarHBondContact O-N 3.08Å
997S31.1Very low33.5Very low71 Ų71110.9 Ų110.950%0.49760%0.601SS.*Hα-helixtrans-69-39.5175.9530000113T993 V994 A1001T993-S997 WeakPolarHBondContact O-CB 3.49Å; T993-S997 PolarHBondContact O-N 3.34Å; T993-S997 PolarHBondContact O-OG 3.19Å; V994-S997 WeakPolarHBondContact CA-OG 3.26Å; V994-S997 PolarHBondContact O-OG 2.77Å; S997-A1001 VanDerWaalsContact O-CB 3.23Å; S997-A1001 WeakPolarHBondContact O-CB 3.32Å; S997-A1001 PolarHBondContact O-N 3.04Å
998K39.1Very low33.8Very low134 Ų134112.3 Ų112.358%0.58360%0.596SS**Hα-helixtrans-69.3-38.8170.7-80.4-175.8175.3172.50112.8V994 V1000 A1001 T1002V994-K998 HydrophobicContact CG1-CD 4.26Å; V994-K998 HydrophobicContact CG1-CG 4.49Å; V994-K998 VanDerWaalsContact O-CB 3.23Å; V994-K998 WeakPolarHBondContact O-CB 3.45Å; V994-K998 PolarHBondContact O-N 3.04Å; K998-V1000 VanDerWaalsContact C-N 3.35Å; K998-A1001 CarbonylContact O-C 3.59Å; K998-A1001 PolarHBondContact O-N 3.27Å; K998-T1002 WeakPolarHBondContact O-CB 3.39Å; K998-T1002 WeakPolarHBondContact O-CG2 3.45Å; K998-T1002 PolarHBondContact O-N 3Å; K998-T1002 PolarHBondContact O-OG1 2.78Å
999A34.3Very low34Very low50 Ų50117.9 Ų117.941%0.41361%0.61SS.*Hα-helixtrans-66.4-36.8176.900000111.8M995 F996 T1002 S1003M995-A999 WeakPolarHBondContact O-CA 3.4Å; M995-A999 WeakPolarHBondContact O-CB 3.45Å; M995-A999 PolarHBondContact O-N 2.97Å; F996-A999 PolarHBondContact O-N 3.16Å; A999-T1002 PolarHBondContact O-OG1 3.34Å; A999-S1003 WeakPolarHBondContact O-CB 3.32Å; A999-S1003 PolarHBondContact O-N 2.95Å
1000V34.9Very low34.2Very low70 Ų70117 Ų11742%0.42462%0.621SS.*Hα-helixtrans-66.4-44.6169.7171.10000110.4F996 K998 T1002 L1004F996-V1000 HydrophobicContact CD1-CG2 4.11Å; F996-V1000 HydrophobicContact CE1-CG2 4.02Å; F996-V1000 WeakPolarHBondContact O-CB 3.49Å; F996-V1000 VanDerWaalsContact O-CG2 3.29Å; F996-V1000 WeakPolarHBondContact O-CG2 3.41Å; F996-V1000 PolarHBondContact O-N 3.08Å; K998-V1000 VanDerWaalsContact C-N 3.35Å; V1000-T1002 PolarHBondContact O-N 2.83Å; V1000-L1004 HydrophobicContact CG1-CD1 3.79Å; V1000-L1004 HydrophobicContact CG1-CG 4.46Å; V1000-L1004 VanDerWaalsContact O-CB 3.27Å; V1000-L1004 WeakPolarHBondContact O-CB 3.5Å; V1000-L1004 VanDerWaalsContact O-CG 3.24Å; V1000-L1004 WeakPolarHBondContact O-CG 3.27Å; V1000-L1004 PolarHBondContact O-N 3.37Å
1001A36.7Very low34.1Very low51 Ų51115.9 Ų115.942%0.42162%0.624SS.*Hα-helixtrans-69.9-28.118000000114.8S997 K998 K1005S997-A1001 VanDerWaalsContact O-CB 3.23Å; S997-A1001 WeakPolarHBondContact O-CB 3.32Å; S997-A1001 PolarHBondContact O-N 3.04Å; K998-A1001 CarbonylContact O-C 3.59Å; K998-A1001 PolarHBondContact O-N 3.27Å; A1001-K1005 WeakPolarHBondContact O-CB 3.38Å; A1001-K1005 WeakPolarHBondContact O-CG 3.45Å; A1001-K1005 PolarHBondContact O-N 3.37Å
1002T42Very low33.5Very low83 Ų83117.6 Ų117.651%0.50964%0.636SS.*Hα-helixtrans-85.8-42.1174.156.90000111.5K998 A999 V1000 L1004 K1005 T1006K998-T1002 WeakPolarHBondContact O-CB 3.39Å; K998-T1002 WeakPolarHBondContact O-CG2 3.45Å; K998-T1002 PolarHBondContact O-N 3Å; K998-T1002 PolarHBondContact O-OG1 2.78Å; A999-T1002 PolarHBondContact O-OG1 3.34Å; V1000-T1002 PolarHBondContact O-N 2.83Å; T1002-L1004 VanDerWaalsContact C-N 3.3Å; T1002-L1004 PolarHBondContact O-N 3.28Å; T1002-K1005 CarbonylContact O-C 3.59Å; T1002-K1005 WeakPolarHBondContact O-CA 3.26Å; T1002-K1005 PolarHBondContact O-N 2.9Å; T1002-T1006 PolarHBondContact O-N 2.91Å; T1002-T1006 PolarHBondContact O-OG1 3.31Å; T1002-T1006 VanDerWaalsContact O-OG1 3.11Å
1003S32.4Very low33.3Very low73 Ų73116.7 Ų116.751%0.5164%0.641SS.*Hα-helixtrans-63-35.2176.2-170.20000112.2A999 R1007A999-S1003 WeakPolarHBondContact O-CB 3.32Å; A999-S1003 PolarHBondContact O-N 2.95Å; S1003-R1007 PolarHBondContact O-N 3.27Å
1004L32.1Very low33.1Very low120 Ų120120.8 Ų120.863%0.62865%0.649SS**Hα-helixtrans-68.6-34.3168.7-72171.4000112.6V1000 T1002V1000-L1004 HydrophobicContact CG1-CD1 3.79Å; V1000-L1004 HydrophobicContact CG1-CG 4.46Å; V1000-L1004 VanDerWaalsContact O-CB 3.27Å; V1000-L1004 WeakPolarHBondContact O-CB 3.5Å; V1000-L1004 VanDerWaalsContact O-CG 3.24Å; V1000-L1004 WeakPolarHBondContact O-CG 3.27Å; V1000-L1004 PolarHBondContact O-N 3.37Å; T1002-L1004 VanDerWaalsContact C-N 3.3Å; T1002-L1004 PolarHBondContact O-N 3.28Å
1005K37.9Very low32.6Very low177 Ų177124.1 Ų124.177%0.7767%0.669SS**Hα-helixtrans-83.6-7.7177.7-76-172.2173.7-173.70115.6A1001 T1002A1001-K1005 WeakPolarHBondContact O-CB 3.38Å; A1001-K1005 WeakPolarHBondContact O-CG 3.45Å; A1001-K1005 PolarHBondContact O-N 3.37Å; T1002-K1005 CarbonylContact O-C 3.59Å; T1002-K1005 WeakPolarHBondContact O-CA 3.26Å; T1002-K1005 PolarHBondContact O-N 2.9Å
1006T36.2Very low32.2Very low117 Ų117126.5 Ų126.572%0.71868%0.676SS**THydrogen-bonded Turntrans-118.219.3176.562.90000114.1T1002T1002-T1006 PolarHBondContact O-N 2.91Å; T1002-T1006 PolarHBondContact O-OG1 3.31Å; T1002-T1006 VanDerWaalsContact O-OG1 3.11Å
1007R30.2Very low31.9Very low222 Ų222125.3 Ų125.384%0.83868%0.682SS**SBendtrans-121.3-3.4172-158.6166175170.5-1.6115.8S1003S1003-R1007 PolarHBondContact O-N 3.27Å
1008E32Very low31.5Very low143 Ų143128.7 Ų128.767%0.66869%0.692SS**SBendtrans-91.2-19.6176.6-64.9-168.613400114.7
1009F32.2Very low30.7Very low194 Ų194128.8 Ų128.885%0.85170%0.703SS**SBendtrans-113.159.3-173.8-78.5-83.6000114.4
1010A29.7Very low30.4Very low96 Ų96133.2 Ų133.279%0.79372%0.719SS**SBendtrans-149-10.5169.600000116.4
1011A29Very low29.8Very low95 Ų95132.6 Ų132.679%0.78573%0.727SS**SBendtrans-124.2-13-17600000115T1013A1011-T1013 PolarHBondContact O-N 3.07Å
1012L26.8Very low29.2Very low167 Ų167135.8 Ų135.887%0.87474%0.741SS**  trans-93.171.5177-81169.1000111.8
1013T27.5Very low28.3Very low120 Ų120134.3 Ų134.374%0.73673%0.734SS**SBendtrans-130.7105167.113.40000111.5A1011A1011-T1013 PolarHBondContact O-N 3.07Å
1014K28Very low27.9Very low198 Ų198134 Ų13486%0.86173%0.729SS**  trans60.967.9166.7-56.9179.5-178.1174.40116.6
1015V26.8Very low27.5Very low143 Ų143135.7 Ų135.787%0.86774%0.739SS**  -102125.3118.8179.70000106.2T1017V1015-T1017 PolarHBondContact O-N 2.84Å
1016K27.6Very low26.9Very low175 Ų175131.6 Ų131.676%0.76174%0.738SS**  trans-72.2120.9170.1-90-175.2168.8-173.20107.6M1018K1016-M1018 VanDerWaalsContact C-N 3.28Å; K1016-M1018 HydrophobicContact CB-CG 4.44Å; K1016-M1018 PolarHBondContact O-N 2.59Å
1017T22.6Very low26.3Very low133 Ų133132.9 Ų132.982%0.81674%0.741SS**  trans-64.392.815535.40000108.4V1015 T1019V1015-T1017 PolarHBondContact O-N 2.84Å; T1017-T1019 PolarHBondContact O-N 2.84Å
1018M23.7Very low26Very low142 Ų142127.7 Ų127.770%0.774%0.736SS**  trans-8886.3159.7-77.3-168.863.500107.8K1016 I1020K1016-M1018 VanDerWaalsContact C-N 3.28Å; K1016-M1018 HydrophobicContact CB-CG 4.44Å; K1016-M1018 PolarHBondContact O-N 2.59Å; M1018-I1020 HydrophobicContact CE-CD1 4.21Å; M1018-I1020 PolarHBondContact O-N 3.43Å; M1018-I1020 VanDerWaalsContact O-N 3.15Å
1019T22.5Very low25.7Very low135 Ų135130.5 Ų130.583%0.82875%0.746SS**  trans-63.5106.8161.529.90000108.8T1017T1017-T1019 PolarHBondContact O-N 2.84Å
1020I27.1Very low25.2Very low143 Ų143126.4 Ų126.473%0.73374%0.742SS**  trans-124.2111156.4-60.6177.3000103.8M1018M1018-I1020 HydrophobicContact CE-CD1 4.21Å; M1018-I1020 PolarHBondContact O-N 3.43Å; M1018-I1020 VanDerWaalsContact O-N 3.15Å
1021G23.3Very low24.9Very low58 Ų58130.8 Ų130.860%0.59875%0.746SS**  trans-90.6-172.7179.500000112.7
1022T24.2Very low24.6Very low118 Ų118131 Ų13172%0.72474%0.741SS**  trans67.4124.4168.461.50000118.9
1023S21.8Very low24.6Very low52 Ų52131.1 Ų131.136%0.36474%0.741SS.*  trans81.382.7145.969.40000119.1N1025 L1148 D1149S1023-N1025 PolarHBondContact O-N 2.85Å; S1023-L1148 WeakPolarHBondContact CA-O 3.38Å; S1023-L1148 VanDerWaalsContact CB-O 3.31Å; S1023-L1148 WeakPolarHBondContact CB-O 3.22Å; S1023-L1148 PolarHBondContact N-O 3.33Å; S1023-D1149 WeakPolarHBondContact CA-OD2 3.47Å; S1023-D1149 PolarHBondContact N-OD2 3.38Å
1024T24.7Very low24.8Very low65 Ų65130.9 Ų130.940%0.39974%0.735SS.*  15.495.6124.448.10000116.6A1147 L1148 D1149T1024-A1147 VanDerWaalsContact OG1-CB 3.27Å; T1024-A1147 WeakPolarHBondContact OG1-CB 3.5Å; T1024-L1148 HydrophobicContact CG2-CB 4.4Å; T1024-D1149 VanDerWaalsContact CG2-OD1 3.27Å; T1024-D1149 WeakPolarHBondContact CG2-OD1 3.47Å; T1024-D1149 PolarHBondContact N-OD2 3.13Å
1025N24.1Very low25.4Very low156 Ų156126.1 Ų126.183%0.83472%0.724SS**  trans-138.3145154.8-101-74.7000109.8S1023S1023-N1025 PolarHBondContact O-N 2.85Å
1026A24.1Very low25.2Very low92 Ų92127 Ų12776%0.7672%0.719SS**  trans-89.6148.6-153.700000116.3
1027D24.1Very low24.9Very low144 Ų144123.6 Ų123.677%0.7771%0.712SS**  trans37.578.3154.3-70.2-25.3000119F1029D1027-F1029 PolarHBondContact O-N 2.78Å
1028P24.6Very low25Very low112 Ų112124 Ų12473%0.72772%0.715SS**  trans-78.865.6166.435.2-36.1000112.3
1029F24.7Very low24.9Very low203 Ų203123.8 Ų123.889%0.8972%0.717SS**  trans-129.268.4165.1-83.5-66.4000111.7D1027D1027-F1029 PolarHBondContact O-N 2.78Å
1030S21.4Very low24.9Very low108 Ų108122.4 Ų122.476%0.75571%0.712SS**  trans-132.354.4-179.147.60000113.7
1031E24.9Very low24.7Very low188 Ų188120.5 Ų120.588%0.87971%0.708SS**  trans-123.2115.6156.4-65.4-174.4147.200106.6
1032S22.6Very low24.8Very low99 Ų99126.4 Ų126.469%0.69272%0.717SS**  cis69.5102.244.392.50000113.7
1033I26Very low24.7Very low170 Ų170127 Ų12787%0.87272%0.716SS**  trans-177.1139.3146.5-96.9150.9000110
1034L32.7Very low24.8Very low115 Ų115129.7 Ų129.760%0.60273%0.73SS**  trans-115.1170.8169.9-83.5168.1000107.1
1035P40Very low24.8Very low98 Ų98131.8 Ų131.864%0.63674%0.739SS**  cis-130.9-139.423.730.9-3.5000111.1
1036E21.7Very low24.9Very low161 Ų161136.5 Ų136.575%0.75275%0.745SS**  cis-154.9-141.57.5-159.353.7-78.400111.5
1037V21.8Very low25Very low104 Ų104139.9 Ų139.963%0.6374%0.743SS**  trans-139.3132.9-157.2170.90000112.5D1039V1037-D1039 HydrophobicContact CG1-CB 4.09Å
1038T24.9Very low25.1Very low141 Ų141142.4 Ų142.487%0.86575%0.747SS**  trans-160.511414250.20000106.8
1039D21.6Very low25Very low138 Ų138147.1 Ų147.174%0.73876%0.756SS**  cis8913634.1-158.815.7000114.4V1037V1037-D1039 HydrophobicContact CG1-CB 4.09Å
1040S22.3Very low24.9Very low105 Ų105148.4 Ų148.473%0.73476%0.755SS**  trans63.8148-178.588.20000115.9
1041T24Very low24.9Very low104 Ų104151.4 Ų151.464%0.63876%0.762SS**  cis-146.7172.5-651.20000106.9
1042F24.7Very low24.8Very low181 Ų181147.2 Ų147.279%0.79475%0.753SS**  cis-129.2175.4-2.4-78.8-78.6000107.5
1043D22.4Very low24.9Very low130 Ų130146.8 Ų146.870%0.69576%0.756SS**  cis68.6134.538-112.755000115
1044T23.6Very low24.8Very low109 Ų109146.5 Ų146.567%0.66976%0.755SS**  cis-153.5157-14.1-0.60000110.9
1045D23.7Very low24.5Very low110 Ų110147.8 Ų147.859%0.58877%0.768SS**  trans41.5101.4142.3-14422000120.4K1047D1045-K1047 WeakPolarHBondContact OD2-CE 3.28Å; D1045-K1047 IonicContact OD2-NZ 2.66Å; D1045-K1047 PolarHBondContact OD2-NZ 2.84Å
1046R27.9Very low24.2Very low255 Ų255148.4 Ų148.496%0.96278%0.775SS**  trans-131.969.6152.2-149.1166.8-170.1161.73.8114.4
1047K26.1Very low24.5Very low163 Ų163146.4 Ų146.471%0.70978%0.776SS**  trans1.4132.7157.7-68.8165.3179.8142.90118.7D1045D1045-K1047 WeakPolarHBondContact OD2-CE 3.28Å; D1045-K1047 IonicContact OD2-NZ 2.66Å; D1045-K1047 PolarHBondContact OD2-NZ 2.84Å
1048K24.9Very low24.6Very low197 Ų197149.1 Ų149.186%0.85779%0.786SS**  trans-18.8133.1150.5-58.9164.3179.3169.40113.9
1049F22.6Very low24.6Very low211 Ų211147.1 Ų147.193%0.92578%0.778SS**  -157.4145124.6-112.7-73.3000112
1050R22.7Very low24.6Very low230 Ų230151.3 Ų151.387%0.86878%0.783SS**  trans-74.5145.6164.3-68.2169.9167.3160.3-6.8108.8
1051L22.3Very low24.8Very low170 Ų170153.9 Ų153.989%0.8978%0.781SS**  trans-160.6156.4131.2-111.1164.7000111.6
1052S22.4Very low24.6Very low100 Ų100158.3 Ų158.370%0.69979%0.786SS**  trans-93.4149.8-170.950.50000113.1
1053A25Very low24.6Very low91 Ų91159.3 Ų159.375%0.75279%0.785SS**  trans10.3122.9151.600000119
1054L22.8Very low24.7Very low164 Ų164160 Ų16086%0.85979%0.788SS**  -173.2137.4126.3-103.4166.4000111.5
1055T27.8Very low24.7Very low142 Ų142159.2 Ų159.287%0.87179%0.793SS**  trans154.8142.3131.144.60000111
1056S33.2Very low24.7Very low110 Ų110162.3 Ų162.377%0.76981%0.809SS**  trans-145.1148.5-178.160.30000110.1
1057P27.6Very low24.4Very low119 Ų119153.7 Ų153.777%0.77380%0.799SS**  trans-116111.916812.79.2000114.9
1058L24.3Very low24.4Very low161 Ų161149.8 Ų149.884%0.84381%0.805SS**  82.6137.6127.6-60.6171.5000124.2
1059S25Very low24.3Very low100 Ų100145.6 Ų145.670%0.69980%0.8SS**  trans74104.6157.871.30000118
1060W21.1Very low24.5Very low225 Ų225145 Ų14585%0.85280%0.801SS**  92.5141.677.1-82.621.4000112.4
1061K26Very low24.5Very low160 Ų160142.4 Ų142.470%0.69680%0.796SS**  cis-141.4127-1.9-103.2164.1177.3171.40106.3
1062R21.4Very low24.6Very low197 Ų197141.7 Ų141.774%0.74379%0.792SS**  76.3114.481.1-178.1-177.4-84.5-144.6-0.9115
1063R23Very low25.4Very low201 Ų201141.4 Ų141.476%0.75879%0.788SS**  trans70.5155.6162-73.1178.5-177.3165.1-2.5116.4
1064N25.4Very low25.3Very low145 Ų145143.8 Ų143.878%0.77579%0.793SS**  cis-138.7161.85.7-127.25.7000111.6
1065A23.4Very low25.3Very low93 Ų93139.3 Ų139.377%0.76979%0.786SS**  trans-99.8136.8170.400000111.1
1066L24.9Very low25.1Very low175 Ų175144.4 Ų144.492%0.91679%0.79SS**  trans-153.5141.6158.9-88.7168.8000104.9
1067G21.7Very low24.6Very low73 Ų73143.9 Ų143.975%0.75379%0.786SS**  cis118.579.812.500000108.8
1068G25.6Very low24.4Very low81 Ų81147 Ų14784%0.83579%0.788SS**  trans-17578-171.200000112.6
1069S22.6Very low24.4Very low109 Ų109146 Ų14676%0.76278%0.783SS**  trans-103.9108161.764.90000108.6
1070E26.9Very low24.5Very low199 Ų199146.2 Ų146.293%0.9378%0.784SS**  trans-109.2156.3163.3-69.9-162.5128.100110.4
1071K23.1Very low24.9Very low176 Ų176140.9 Ų140.977%0.76578%0.782SS**  trans-137149.1-155.7-89.1-177.8176177.50109.9
1072L24.2Very low25.3Very low155 Ų155139.3 Ų139.381%0.81279%0.788SS**  trans67.1176.2152.1-66.5164.6000114
1073P38.1Very low25.5Very low94 Ų94134.7 Ų134.761%0.6179%0.792SS**  -140.9177.6-52.638.7-24.5000115.6
1074T22.4Very low25.6Very low141 Ų141130.3 Ų130.387%0.86579%0.792SS**  trans63.3140.5145.252.80000120.9
1075G23Very low25.7Very low69 Ų69129.3 Ų129.371%0.71179%0.793SS**  trans-167.67.3174.700000123.4
1076R24.1Very low25.9Very low250 Ų250131.1 Ų131.194%0.94379%0.794SS**  trans66.9161.5174.1-53.2176.6179.1-163.8-2.3114.3
1077S23.9Very low25.9Very low98 Ų98126.9 Ų126.969%0.68579%0.785SS**  cis-157.2163.3-4.124.10000110.9
1078F22.9Very low26.1Very low186 Ų186130 Ų13082%0.81678%0.784SS**  trans7.2145.1147-58.8-76.6000119.9
1079D24.2Very low26.1Very low139 Ų139130.6 Ų130.674%0.74378%0.775SS**  cis-162.4-173.113.1-135.5-37.8000114.9
1080S26.5Very low26.4Very low104 Ų104133.6 Ų133.673%0.72778%0.777SS**  trans64.596.7159.768.90000120.2
1081S30.4Very low26.4Very low114 Ų114130.5 Ų130.580%0.79777%0.767SS**  trans-67.7170.4131.8-66.20000110.4
1082P33.7Very low26.4Very low127 Ų127131.1 Ų131.183%0.82577%0.773SS**  cis-138.8161.716.441.9-24.6000117.7
1083A26.6Very low26.5Very low100 Ų100132.5 Ų132.583%0.82678%0.775SS**  trans-163.4123.8142.100000108.6
1084S24.4Very low25.9Very low108 Ų108133.2 Ų133.276%0.75578%0.782SS**PPolyproline II helixtrans-79.2145.3178.1470000111.7V1086S1084-V1086 PolarHBondContact O-N 3.04Å
1085P28.1Very low26Very low124 Ų124133.3 Ų133.381%0.80578%0.782SS**PPolyproline II helixtrans-69.6128.1175.629.7-33.5000110.3A1087P1085-A1087 PolarHBondContact O-N 2.95Å
1086V26.1Very low26.1Very low132 Ų132134.8 Ų134.880%0.878%0.781SS**PPolyproline II helixtrans-70.9120.2159.5176.50000106.5S1084S1084-V1086 PolarHBondContact O-N 3.04Å
1087A25.4Very low26.2Very low86 Ų86132 Ų13271%0.71178%0.776SS**PPolyproline II helixtrans-74.4129.5172.200000108.8P1085 S1089P1085-A1087 PolarHBondContact O-N 2.95Å; A1087-S1089 PolarHBondContact O-N 3.22Å; A1087-S1089 VanDerWaalsContact O-N 3.08Å
1088N25.7Very low26.2Very low137 Ų137136.5 Ų136.573%0.73379%0.786SS**  trans-72.2100.1168.8-64.5-5.7000108.1E1090N1088-E1090 HydrophobicContact CB-CG 4.43Å; N1088-E1090 PolarHBondContact O-N 3.43Å
1089S26.4Very low26.4Very low94 Ų94136.2 Ų136.266%0.65779%0.787SS**  trans-77.6104.8152.549.20000107.1A1087 D1091A1087-S1089 PolarHBondContact O-N 3.22Å; A1087-S1089 VanDerWaalsContact O-N 3.08Å; S1089-D1091 PolarHBondContact O-N 2.69Å
1090E27.7Very low26.3Very low173 Ų173137.4 Ų137.481%0.80879%0.793SS**  trans-76.876.9174-65.8175.1144.800108.4N1088 E1092N1088-E1090 HydrophobicContact CB-CG 4.43Å; N1088-E1090 PolarHBondContact O-N 3.43Å; E1090-E1092 PolarHBondContact O-N 2.7Å
1091D26.9Very low26.3Very low134 Ų134137.9 Ų137.972%0.71779%0.792SS**  trans-66.9119.1169.8-72-50.9000108.8S1089 H1093S1089-D1091 PolarHBondContact O-N 2.69Å; D1091-H1093 PolarHBondContact O-N 2.96Å
1092E24.8Very low26.1Very low188 Ų188141.4 Ų141.488%0.87980%0.795SS**  trans-61.4122.7-169.8-62.2-173.614600111E1090 S1094E1090-E1092 PolarHBondContact O-N 2.7Å; E1092-S1094 VanDerWaalsContact C-N 3.35Å; E1092-S1094 PolarHBondContact O-N 3.05Å
1093H26.1Very low25.8Very low184 Ų184141.3 Ų141.385%0.85279%0.788SS**  trans-69.296.3168.9-84.613.4000109.2D1091 V1095D1091-H1093 PolarHBondContact O-N 2.96Å; H1093-V1095 PolarHBondContact O-N 3.07Å
1094S23.9Very low25.8Very low109 Ų109143.1 Ų143.176%0.76278%0.784SS**  trans-51.7105.516556.30000109.3E1092 S1096E1092-S1094 VanDerWaalsContact C-N 3.35Å; E1092-S1094 PolarHBondContact O-N 3.05Å; S1094-S1096 VanDerWaalsContact C-N 3.3Å; S1094-S1096 PolarHBondContact O-N 3.49Å
1095V25.6Very low25.9Very low143 Ų143145.9 Ų145.987%0.86779%0.788SS**  trans-68.395.4170.71790000106.8H1093 K1097H1093-V1095 PolarHBondContact O-N 3.07Å; V1095-K1097 PolarHBondContact O-N 2.84Å
1096S25.7Very low25.7Very low100 Ų100147.2 Ų147.270%0.69979%0.788SS**  trans-57.6126.517349.30000108.8S1094 E1098S1094-S1096 VanDerWaalsContact C-N 3.3Å; S1094-S1096 PolarHBondContact O-N 3.49Å; S1096-E1098 PolarHBondContact O-N 2.95Å
1097K25.1Very low25.7Very low192 Ų192145.9 Ų145.984%0.83578%0.782SS**  trans-47.9135.1173-73.1-178.4173.9-177.70110V1095 Q1099V1095-K1097 PolarHBondContact O-N 2.84Å; K1097-Q1099 PolarHBondContact O-N 3.4Å
1098E24.1Very low25.6Very low192 Ų192149.2 Ų149.290%0.89779%0.787SS**  trans-64.1103160.8-68.5173.7132.600107.5S1096 L1100S1096-E1098 PolarHBondContact O-N 2.95Å; E1098-L1100 PolarHBondContact O-N 3.02Å
1099Q26.4Very low25.5Very low180 Ų180149.1 Ų149.184%0.84178%0.782SS**  trans-70.3113.2157.4-70.1-176.7-89.300105.9K1097 V1101K1097-Q1099 PolarHBondContact O-N 3.4Å; Q1099-V1101 PolarHBondContact O-N 3.06Å
1100L23.9Very low25.4Very low164 Ų164149.6 Ų149.686%0.85978%0.776SS**  trans-55.2122.7171-78.4162.1000108.3E1098 E1102E1098-L1100 PolarHBondContact O-N 3.02Å; L1100-E1102 PolarHBondContact O-N 3.11Å
1101V26Very low25.3Very low115 Ų115146.6 Ų146.670%0.69777%0.766SS**  trans-76.3110.3172.1176.80000106.6Q1099 D1103Q1099-V1101 PolarHBondContact O-N 3.06Å; V1101-D1103 PolarHBondContact O-N 3.4Å
1102E25.2Very low25.2Very low187 Ų187144.5 Ų144.587%0.87477%0.767SS**  trans-70.594.7171.8-68.6-177.2143.800108.8L1100 N1104L1100-E1102 PolarHBondContact O-N 3.11Å; E1102-N1104 PolarHBondContact O-N 3.31Å
1103D27Very low25.2Very low126 Ų126143.9 Ų143.967%0.67476%0.764SS**  trans-74.290.8-174.1-112.9-39000111.9V1101 I1105V1101-D1103 PolarHBondContact O-N 3.4Å; D1103-I1105 PolarHBondContact O-N 3.08Å
1104N26.4Very low25Very low137 Ų137141.1 Ų141.173%0.73376%0.755SS**  trans56.359.8140.9-66-76.7000117.3E1102E1102-N1104 PolarHBondContact O-N 3.31Å
1105I26.8Very low25.2Very low166 Ų166141.5 Ų141.585%0.85175%0.748SS**  trans-89119.8153.1-60.2-177.4000108.4D1103D1103-I1105 PolarHBondContact O-N 3.08Å
1106L24Very low25.4Very low152 Ų152138.8 Ų138.880%0.79673%0.733SS**  trans-64.7133.4-175.1-72.7161.7000111.8L1108L1106-L1108 PolarHBondContact O-N 3.27Å
1107P26.3Very low25.3Very low104 Ų104137.7 Ų137.768%0.67572%0.717SS**  trans-72.6111.4-179.529.1-34000111.1E1109P1107-E1109 VanDerWaalsContact C-N 3.29Å; P1107-E1109 HydrophobicContact CB-CG 4.49Å; P1107-E1109 PolarHBondContact O-N 2.85Å; P1107-E1109 VanDerWaalsContact O-N 3.11Å
1108L23.3Very low25.3Very low156 Ų156136.7 Ų136.782%0.81772%0.716SS**  trans-81.277.2166.9-79.1168.1000109.7L1106 L1110L1106-L1108 PolarHBondContact O-N 3.27Å; L1108-L1110 PolarHBondContact O-N 3.34Å
1109E24.8Very low25.2Very low136 Ų136135.6 Ų135.664%0.63671%0.713SS**  trans-64.894.9174.1-70-171.9-179.700111.5P1107 N1111P1107-E1109 VanDerWaalsContact C-N 3.29Å; P1107-E1109 HydrophobicContact CB-CG 4.49Å; P1107-E1109 PolarHBondContact O-N 2.85Å; P1107-E1109 VanDerWaalsContact O-N 3.11Å; E1109-N1111 PolarHBondContact O-N 2.89Å; E1109-N1111 VanDerWaalsContact O-N 3.1Å; E1109-N1111 PolarHBondContact OE2-ND2 2.69Å
1110L23.1Very low25.1Very low103 Ų103133.7 Ų133.754%0.53971%0.708SS.*  trans-82.170.7163.6-91.278000110.2M429 L1108 A1112M429-L1110 HydrophobicContact CB-CD2 4.01Å; M429-L1110 HydrophobicContact CB-CG 4.13Å; M429-L1110 HydrophobicContact CG-CD2 4.41Å; M429-L1110 HydrophobicContact CG-CG 3.97Å; M429-L1110 VanDerWaalsContact SD-CA 3.56Å; M429-L1110 HydrophobicContact SD-CB 3.84Å; M429-L1110 HydrophobicContact SD-CD2 4.42Å; M429-L1110 HydrophobicContact SD-CG 3.78Å; L1108-L1110 PolarHBondContact O-N 3.34Å; L1110-A1112 PolarHBondContact O-N 2.93Å
1111N25.8Very low25.4Very low111 Ų111131.1 Ų131.159%0.59470%0.702SS**  trans-6295.2170.3-67.8-36.3000111.3M429 E1109M429-N1111 HydrophobicContact CE-CB 4.2Å; M429-N1111 VanDerWaalsContact CE-N 3.31Å; M429-N1111 VanDerWaalsContact CE-O 3.25Å; M429-N1111 WeakPolarHBondContact CE-O 3.41Å; E1109-N1111 PolarHBondContact O-N 2.89Å; E1109-N1111 VanDerWaalsContact O-N 3.1Å; E1109-N1111 PolarHBondContact OE2-ND2 2.69Å
1112A25Very low25.3Very low89 Ų89136.9 Ų136.974%0.73671%0.711SS**  trans-121.496.816900000109L1110L1110-A1112 PolarHBondContact O-N 2.93Å
1113E24.6Very low25.2Very low175 Ų175137.1 Ų137.182%0.81870%0.704SS**  trans-69.3136.6178.2-61.5172.3115.700111.3
1114L22.5Very low25.1Very low126 Ų126140.7 Ų140.766%0.6672%0.716SS**  trans-147119.9155.9-104.7165.1000107.4L633L633-L1114 HydrophobicContact CB-CD1 4.26Å; L633-L1114 HydrophobicContact CD1-CD1 4.09Å
1115I26.9Very low25.2Very low118 Ų118140 Ų14061%0.60571%0.708SS**  trans-106.2151.2-171.9-77.6175.3000108.8
1116P30.6Very low25.1Very low85 Ų85139.7 Ų139.755%0.55270%0.704SS**  trans-56.5-93.3-139.8-32.139.5000124.4E630E630-P1116 WeakPolarHBondContact OE1-CA 3.46Å; E630-P1116 VanDerWaalsContact OE1-CD 3.28Å; E630-P1116 WeakPolarHBondContact OE1-CD 3.48Å
1117M22.9Very low25.3Very low77 Ų77142.5 Ų142.538%0.37971%0.713SS.*  trans130.445-137-76.2-152.2-129.300115.1D629 E630 M1119D629-M1117 HydrophobicContact CB-CE 4.16Å; E630-M1117 HydrophobicContact CB-CB 3.81Å; E630-M1117 HydrophobicContact CB-CG 3.72Å; E630-M1117 HydrophobicContact CG-CB 4.48Å; E630-M1117 HydrophobicContact CG-CG 4.02Å; E630-M1117 WeakPolarHBondContact O-CB 3.14Å; E630-M1117 WeakPolarHBondContact O-CE 3.11Å; E630-M1117 WeakPolarHBondContact O-CG 3.4Å; E630-M1117 PolarHBondContact OE1-N 3.16Å; E630-M1117 VanDerWaalsContact OE1-N 3.09Å; E630-M1117 WeakPolarHBondContact OE2-CA 3.48Å; E630-M1117 WeakPolarHBondContact OE2-CG 3.14Å; E630-M1117 PolarHBondContact OE2-N 3.21Å; M1117-M1119 PolarHBondContact O-N 2.94Å
1118E24.8Very low25.2Very low172 Ų172144.9 Ų144.980%0.80472%0.715SS**  trans-6881.9179.2-76.9-158.714700114.4E630 N1120E630-E1118 PolarHBondContact OE2-N 3.19Å; E1118-N1120 PolarHBondContact O-N 3.33Å; E1118-N1120 VanDerWaalsContact O-N 3.09Å
1119M21.9Very low25.4Very low169 Ų169144.2 Ų144.283%0.83371%0.708SS**  trans-76.390.6161-90.8-70.5166.600110.7M1117M1117-M1119 PolarHBondContact O-N 2.94Å
1120N24.4Very low25.7Very low139 Ų139144.4 Ų144.474%0.74372%0.718SS**  trans-53.1123.8179.8-168.2-9000112.1E1118 R1122E1118-N1120 PolarHBondContact O-N 3.33Å; E1118-N1120 VanDerWaalsContact O-N 3.09Å; N1120-R1122 PolarHBondContact O-N 2.95Å
1121P30.6Very low26Very low111 Ų111145.1 Ų145.172%0.72173%0.731SS**  trans-65.8118.3-167.524.3-35.4000113.1R1123P1121-R1123 PolarHBondContact O-N 3.44Å
1122R23.5Very low26Very low235 Ų235146.2 Ų146.289%0.88774%0.737SS**  trans-78.8100.3162.6-74.8-170.5176.5-167.10.2109.4N1120 E1124N1120-R1122 PolarHBondContact O-N 2.95Å; R1122-E1124 PolarHBondContact O-N 2.9Å
1123R23.8Very low26Very low192 Ų192152.7 Ų152.773%0.72574%0.743SS**  trans0.4101.5136.1-72.1170.6150.11122.8114.2P1121 E1125P1121-R1123 PolarHBondContact O-N 3.44Å; R1123-E1125 HydrophobicContact CB-CG 3.94Å; R1123-E1125 WeakPolarHBondContact CD-OE1 3.28Å; R1123-E1125 HydrophobicContact CG-CG 3.91Å; R1123-E1125 IonicContact CZ-OE1 3.64Å; R1123-E1125 VanDerWaalsContact NE-CD 3.34Å; R1123-E1125 IonicContact NE-OE1 2.69Å; R1123-E1125 PolarHBondContact NE-OE1 3.13Å; R1123-E1125 IonicContact NE-OE2 3.65Å; R1123-E1125 IonicContact NH2-OE1 3.83Å
1124E26Very low26Very low201 Ų201151.2 Ų151.294%0.93974%0.74SS**  trans-102.398.8138.7-68.8-174.4164.200104.4R1122R1122-E1124 PolarHBondContact O-N 2.9Å
1125E27.8Very low26.1Very low122 Ų122154 Ų15457%0.5775%0.747SS**  trans-85.6119.6-174.5-79.2168145.200109.7R1123R1123-E1125 HydrophobicContact CB-CG 3.94Å; R1123-E1125 WeakPolarHBondContact CD-OE1 3.28Å; R1123-E1125 HydrophobicContact CG-CG 3.91Å; R1123-E1125 IonicContact CZ-OE1 3.64Å; R1123-E1125 VanDerWaalsContact NE-CD 3.34Å; R1123-E1125 IonicContact NE-OE1 2.69Å; R1123-E1125 PolarHBondContact NE-OE1 3.13Å; R1123-E1125 IonicContact NE-OE2 3.65Å; R1123-E1125 IonicContact NH2-OE1 3.83Å
1126E24.5Very low26Very low161 Ų161154 Ų15475%0.75276%0.757SS**  trans55.871.2141.5-60.1170.6-179.500117.6E1128E1126-E1128 PolarHBondContact O-N 2.81Å; E1126-E1128 VanDerWaalsContact O-N 3.09Å
1127E27.8Very low25.8Very low211 Ų211157.4 Ų157.499%0.98677%0.77SS**  trans-78.367.1149.7-70.6-153.6156.700110.7
1128E25.2Very low26.1Very low153 Ų153162.3 Ų162.372%0.71579%0.792SS**  trans-81.6153.7170.8-97.5-161.3154.100113.2E1126E1126-E1128 PolarHBondContact O-N 2.81Å; E1126-E1128 VanDerWaalsContact O-N 3.09Å
1129E28Very low26Very low143 Ų143162.9 Ų162.967%0.66879%0.794SS**  trans5657.6156.7-64.9-133.4110.500120.3
1130V30.4Very low26.3Very low140 Ų140160.7 Ų160.785%0.84880%0.796SS**SBendtrans-122.360.1160.1-162.10000113.6
1131S29.2Very low26.2Very low118 Ų118161.9 Ų161.983%0.82580%0.797SS**SBendtrans-159-2.4159.1-85.90000116.1R1133S1131-R1133 PolarHBondContact O-N 3.26Å
1132N26.2Very low26.1Very low133 Ų133165.3 Ų165.371%0.71180%0.797SS**  trans-96.962.3-178.7-77.1-32.5000113.4
1133R24.6Very low26.2Very low226 Ų226156.7 Ų156.785%0.85377%0.772SS**  trans-161137.9166.6-106.1153.1-145.3-144.58.8112.5S1131S1131-R1133 PolarHBondContact O-N 3.26Å
1134L23.5Very low26.4Very low144 Ų144153.5 Ų153.575%0.75477%0.77SS**  trans61.4141.6-168.9-85.762.8000113.5
1135F25.2Very low26.7Very low184 Ų184151.3 Ų151.381%0.80776%0.764SS**  cis-112.81476.8-78.6-101.6000112.8
1136S24.7Very low26.7Very low117 Ų117150.1 Ų150.182%0.81877%0.77SS**  trans-106.4133.5159.9-560000108.1
1137L26.8Very low26.9Very low157 Ų157145 Ų14582%0.82276%0.755SS**  trans-153.5123.5161.7-118.3163.8000111.2
1138E28.3Very low27Very low181 Ų181140.4 Ų140.485%0.84674%0.737SS**  trans-34.2158.6-172.2-62.8169.3136.800120.7
1139E24.6Very low27.3Very low183 Ų183137.3 Ų137.386%0.85573%0.725SS**  trans-63.9147.2175.2-53.6174.2116.100112.9
1140S26.8Very low27.4Very low124 Ų124136.8 Ų136.887%0.86773%0.727SS**  trans-145147.1152.759.20000110.9
1141Q23.7Very low27.5Very low163 Ų163138 Ų13876%0.76273%0.728SS**  trans-102.2176.2-157.2-63174.9-11.300114.3
1142Y27.9Very low27.5Very low183 Ų183139.5 Ų139.572%0.71873%0.728SS**  trans97.4103.5152.3-95.1-83.4000121.2R1315Y1142-R1315 PolarHBondContact O-NH2 3.49Å
1143S24.4Very low27.7Very low54 Ų54139.4 Ų139.438%0.37873%0.732SS.*  trans72.1130.6136.161.50000121.7R1315 F1317S1143-R1315 PolarHBondContact O-NH1 3.03Å; S1143-R1315 PolarHBondContact OG-NH1 3.15Å; S1143-R1315 PolarHBondContact OG-NH2 3.45Å; S1143-F1317 VanDerWaalsContact O-CZ 3.29Å; S1143-F1317 WeakPolarHBondContact O-CZ 3.37Å
1144D28.8Very low27.8Very low126 Ų126137.1 Ų137.167%0.67473%0.731SS**  trans-46.3160.2168-43.9-94.1000114.7
1145D32.3Very low28.2Very low154 Ų154136.2 Ų136.282%0.82473%0.733SS**  -154.1167.3120-123.3-37.1000110.4
1146S27.8Very low28.4Very low97 Ų97132.6 Ų132.668%0.67873%0.731SS**  trans-116.7160.1-152.4-57.20000117.9
1147A29.7Very low28.5Very low55 Ų55132.8 Ų132.846%0.45573%0.733SS.*  trans94.9120.1140.600000121.7T1024T1024-A1147 VanDerWaalsContact OG1-CB 3.27Å; T1024-A1147 WeakPolarHBondContact OG1-CB 3.5Å
1148L29.6Very low28.7Very low114 Ų114130.7 Ų130.760%0.59773%0.731SS**  trans25.7136.4130.1-65.6162.1000120.1S1023 T1024S1023-L1148 WeakPolarHBondContact CA-O 3.38Å; S1023-L1148 VanDerWaalsContact CB-O 3.31Å; S1023-L1148 WeakPolarHBondContact CB-O 3.22Å; S1023-L1148 PolarHBondContact N-O 3.33Å; T1024-L1148 HydrophobicContact CG2-CB 4.4Å
1149D30.5Very low28.8Very low88 Ų88131.7 Ų131.747%0.47174%0.736SS.*  -170130.599.9-89.9-33.5000109.3S1023 T1024S1023-D1149 WeakPolarHBondContact CA-OD2 3.47Å; S1023-D1149 PolarHBondContact N-OD2 3.38Å; T1024-D1149 VanDerWaalsContact CG2-OD1 3.27Å; T1024-D1149 WeakPolarHBondContact CG2-OD1 3.47Å; T1024-D1149 PolarHBondContact N-OD2 3.13Å
1150D30.5Very low28.9Very low132 Ų132126.2 Ų126.271%0.70673%0.728SS**  trans-91.4150.8179.8-50.8-78.6000110.9
1151D33.5Very low28.9Very low164 Ų164125.4 Ų125.488%0.87773%0.729SS**  trans-151.986.6170.1-133.5-15.2000109.7
1152D29Very low29Very low151 Ų151129.4 Ų129.481%0.80774%0.737SS**  trans-71.5128.7178.1-75.4-55.4000111.5
1153T30.3Very low28.8Very low131 Ų131125.8 Ų125.880%0.80474%0.738SS**  trans-15187.4161-61.80000110.6
1154E26.6Very low29.1Very low178 Ų178129.3 Ų129.383%0.83276%0.76SS**  trans-74.6128.5166.8-70-160.9133.200111.5S1156E1154-S1156 PolarHBondContact O-N 2.99Å
1155P31.6Very low28.9Very low124 Ų124129.8 Ų129.881%0.80577%0.768SS**  trans-85.588.6171.533.4-32000110.8S1157P1155-S1157 PolarHBondContact O-N 3.25Å
1156S29.2Very low28.5Very low109 Ų109130.9 Ų130.976%0.76277%0.767SS**  trans-67.8121.217851.50000112.5E1154 S1158E1154-S1156 PolarHBondContact O-N 2.99Å; S1156-S1158 PolarHBondContact O-N 3.43Å
1157S27.6Very low28.5Very low121 Ų121135.1 Ų135.185%0.84677%0.774SS**  trans-97.779.6-171.863.10000113.2P1155P1155-S1157 PolarHBondContact O-N 3.25Å
1158S29.9Very low28.3Very low112 Ų112142.1 Ų142.178%0.78379%0.794SS**  trans-100.6100.9175.350.70000112.7S1156S1156-S1158 PolarHBondContact O-N 3.43Å
1159Q30Very low28.1Very low203 Ų203142.4 Ų142.495%0.94980%0.796SS**  trans-85.6144.5158.7-62-175.7600108.7
1160G27.9Very low28.2Very low68 Ų68146 Ų14670%0.70181%0.814SS**  cis177.324.3-1.500000113.9R1162G1160-R1162 PolarHBondContact O-N 3.06Å
1161A26.7Very low28.1Very low107 Ų107144.7 Ų144.788%0.88481%0.811SS**  trans-79106.4-175.200000111.6
1162R26Very low27.7Very low247 Ų247144.8 Ų144.893%0.93280%0.803SS**  trans-92106.6-178.9-69.5-179.3174.2-179.6-1.7112.3G1160G1160-R1162 PolarHBondContact O-N 3.06Å
1163S23.8Very low27.9Very low106 Ų106143.4 Ų143.474%0.74180%0.802SS**  trans-80.5153.6153.549.50000110.3
1164P29.3Very low28Very low128 Ų128148.3 Ų148.383%0.83181%0.806SS**  trans-79.5140.1-163.229.7-35.2000114.2H1166P1164-H1166 PolarHBondContact O-N 3.28Å; P1164-H1166 VanDerWaalsContact O-N 3.15Å
1165T25.8Very low28.2Very low136 Ų136144.1 Ų144.183%0.83479%0.794SS**  trans-69105.8-178.654.10000112.6
1166H24.4Very low28.7Very low177 Ų177143 Ų14382%0.81979%0.785SS**  trans-68.8131.6163.4-155.9-78.9000109.4P1164P1164-H1166 PolarHBondContact O-N 3.28Å; P1164-H1166 VanDerWaalsContact O-N 3.15Å
1167K27.2Very low29.3Very low186 Ų186148 Ų14881%0.80979%0.787SS**  trans-70.3138.9-179.9-72176.8178.8172.90110D1169K1167-D1169 PolarHBondContact O-N 3.1Å
1168F25.3Very low29.8Very low202 Ų202145.1 Ų145.189%0.88677%0.771SS**  trans-67110.2171.9-86.4-95.6000110
1169D25.2Very low30.5Very low120 Ų120145.6 Ų145.664%0.64276%0.759SS**  trans-89.7105.4176-157.8-32.8000109.6K1167 T1171K1167-D1169 PolarHBondContact O-N 3.1Å; D1169-T1171 VanDerWaalsContact CG-OG1 3.29Å; D1169-T1171 PolarHBondContact O-N 3.35Å; D1169-T1171 WeakPolarHBondContact OD1-CB 3.49Å; D1169-T1171 WeakPolarHBondContact OD1-CG2 3.34Å; D1169-T1171 PolarHBondContact OD1-OG1 2.98Å
1170I31.9Very low31.5Very low165 Ų165141.5 Ų141.585%0.84674%0.74SS**THydrogen-bonded Turntrans-82.850-171.4-43.5-178.6000110.3
1171T29.9Very low32.9Very low103 Ų103143.6 Ų143.663%0.63274%0.735SS**THydrogen-bonded Turntrans-128.5-8.9-172.655.20000114.5D1169 P1173D1169-T1171 VanDerWaalsContact CG-OG1 3.29Å; D1169-T1171 PolarHBondContact O-N 3.35Å; D1169-T1171 WeakPolarHBondContact OD1-CB 3.49Å; D1169-T1171 WeakPolarHBondContact OD1-CG2 3.34Å; D1169-T1171 PolarHBondContact OD1-OG1 2.98Å; T1171-P1173 VanDerWaalsContact O-CD 3.23Å; T1171-P1173 WeakPolarHBondContact O-CD 3.14Å
1172K25.2Very low33.8Very low167 Ų167141.6 Ų141.673%0.72671%0.714SS**SBendtrans-78.9109167.4-71.9-172.3178.5-1760109.8E120E120-K1172 IonicContact OE1-NZ 3.71Å; E120-K1172 IonicContact OE2-NZ 3.43Å
1173P31.9Very low34.8Very low121 Ų121136.5 Ų136.579%0.78670%0.698SS**PPolyproline II helixtrans-73.4141-179.730.5-35.1000111.9T1171T1171-P1173 VanDerWaalsContact O-CD 3.23Å; T1171-P1173 WeakPolarHBondContact O-CD 3.14Å
1174R32.4Very low35.9Very low235 Ų235134.2 Ų134.289%0.88769%0.686SS**PPolyproline II helixtrans-55.7139177.5-91.1-178.6166.4173.8-4.8111.4T1176R1174-T1176 PolarHBondContact O-N 3.47Å; R1174-T1176 VanDerWaalsContact O-N 3.15Å
1175P31.5Very low37Very low89 Ų89130.7 Ų130.758%0.57867%0.668SS**PPolyproline II helixtrans-60.9119.4-17624.2-33.8000110.8F1179P1175-F1179 HydrophobicContact CB-CB 4.43Å; P1175-F1179 HydrophobicContact CB-CD1 4.47Å
1176T42.4Very low37.9Very low100 Ų100126.7 Ų126.761%0.61365%0.649SS**PPolyproline II helixtrans-69.8159-177.161.90000111.2R1174 A1178 F1179R1174-T1176 PolarHBondContact O-N 3.47Å; R1174-T1176 VanDerWaalsContact O-N 3.15Å; T1176-A1178 PolarHBondContact O-N 2.87Å; T1176-F1179 WeakPolarHBondContact O-CB 3.33Å; T1176-F1179 PolarHBondContact O-N 3.01Å
1177R42Very low38.9Very low214 Ų214122 Ų12281%0.80863%0.632SS**Hα-helixtrans-50.6-23.1-179.1-168.4175.6-177.5172.21.6114.3F1179 H1180 L1181R1177-F1179 VanDerWaalsContact C-N 3.31Å; R1177-F1179 PolarHBondContact O-N 2.85Å; R1177-H1180 PolarHBondContact O-N 3.34Å; R1177-L1181 HydrophobicContact CG-CD1 4.42Å; R1177-L1181 PolarHBondContact O-N 3.35Å
1178A37.2Very low39.9Very low61 Ų61120.3 Ų120.350%0.50463%0.625SS.*Hα-helixtrans-58.5-35.5172.500000113.5T1176 L1181 S1182T1176-A1178 PolarHBondContact O-N 2.87Å; A1178-L1181 PolarHBondContact O-N 3.24Å; A1178-S1182 PolarHBondContact O-N 3.47Å; A1178-S1182 PolarHBondContact O-OG 3.13Å
1179F45.1Very low40.8Very low122 Ų122116.3 Ų116.354%0.53561%0.607SS.*Hα-helixtrans-67.5-40.5-179.8-176.8-103.5000112.7P1175 T1176 R1177 L1181 S1182 K1183P1175-F1179 HydrophobicContact CB-CB 4.43Å; P1175-F1179 HydrophobicContact CB-CD1 4.47Å; T1176-F1179 WeakPolarHBondContact O-CB 3.33Å; T1176-F1179 PolarHBondContact O-N 3.01Å; R1177-F1179 VanDerWaalsContact C-N 3.31Å; R1177-F1179 PolarHBondContact O-N 2.85Å; F1179-L1181 VanDerWaalsContact C-N 3.34Å; F1179-S1182 PolarHBondContact O-N 3.23Å; F1179-S1182 PolarHBondContact O-OG 3.4Å; F1179-K1183 WeakPolarHBondContact O-CB 3.36Å; F1179-K1183 PolarHBondContact O-N 3.21Å
1180H49.8Very low41.3Very low118 Ų118116.4 Ų116.455%0.54661%0.607SS.*Hα-helixtrans-69.4-34.4174.1-65.5-90.1000111.7R1177 A1184R1177-H1180 PolarHBondContact O-N 3.34Å; H1180-A1184 WeakPolarHBondContact O-CB 3.47Å; H1180-A1184 PolarHBondContact O-N 3.13Å
1181L57.9Low41.5Very low112 Ų112114.4 Ų114.459%0.58660%0.597SS**Hα-helixtrans-67.6-39.5173.3-83.7160.6000112.6R1177 A1178 F1179 A1184 A1185R1177-L1181 HydrophobicContact CG-CD1 4.42Å; R1177-L1181 PolarHBondContact O-N 3.35Å; A1178-L1181 PolarHBondContact O-N 3.24Å; F1179-L1181 VanDerWaalsContact C-N 3.34Å; L1181-A1184 PolarHBondContact O-N 3Å; L1181-A1185 VanDerWaalsContact O-CB 3.31Å; L1181-A1185 WeakPolarHBondContact O-CB 3.47Å; L1181-A1185 PolarHBondContact O-N 3.47Å
1182S45.9Very low42.3Very low64 Ų64112.6 Ų112.645%0.44859%0.586SS.*Hα-helixtrans-70.5-39175.865.90000111.9A1178 F1179 A1184 A1185 A1186A1178-S1182 PolarHBondContact O-N 3.47Å; A1178-S1182 PolarHBondContact O-OG 3.13Å; F1179-S1182 PolarHBondContact O-N 3.23Å; F1179-S1182 PolarHBondContact O-OG 3.4Å; S1182-A1184 PolarHBondContact O-N 3.38Å; S1182-A1185 PolarHBondContact O-N 2.77Å; S1182-A1186 WeakPolarHBondContact O-CB 3.45Å; S1182-A1186 PolarHBondContact O-N 2.88Å
1183K46.7Very low43Very low140 Ų140108.7 Ų108.761%0.60957%0.572SS**Hα-helixtrans-59.1-45.8171-168171.1-175.5174.60111.3F1179 A1186 V1187F1179-K1183 WeakPolarHBondContact O-CB 3.36Å; F1179-K1183 PolarHBondContact O-N 3.21Å; K1183-A1186 PolarHBondContact O-N 3.28Å; K1183-V1187 WeakPolarHBondContact O-CG2 3.12Å; K1183-V1187 PolarHBondContact O-N 3.05Å
1184A47.1Very low43.3Very low59 Ų59109.1 Ų109.149%0.48857%0.568SS.*Hα-helixtrans-64.6-38.217500000112.9H1180 L1181 S1182 K1188H1180-A1184 WeakPolarHBondContact O-CB 3.47Å; H1180-A1184 PolarHBondContact O-N 3.13Å; L1181-A1184 PolarHBondContact O-N 3Å; S1182-A1184 PolarHBondContact O-N 3.38Å; A1184-K1188 WeakPolarHBondContact O-CB 3.44Å; A1184-K1188 PolarHBondContact O-N 3.35Å
1185A53.3Low43.6Very low53 Ų53105.8 Ų105.844%0.43856%0.56SS.*Hα-helixtrans-68.8-36.9176.100000112.6L1181 S1182 K1188 K1189L1181-A1185 VanDerWaalsContact O-CB 3.31Å; L1181-A1185 WeakPolarHBondContact O-CB 3.47Å; L1181-A1185 PolarHBondContact O-N 3.47Å; S1182-A1185 PolarHBondContact O-N 2.77Å; A1185-K1188 CarbonylContact O-C 3.52Å; A1185-K1188 PolarHBondContact O-N 2.95Å; A1185-K1189 PolarHBondContact O-N 3.23Å
1186A43Very low43.7Very low53 Ų53105.1 Ų105.144%0.43856%0.557SS.*Hα-helixtrans-64.5-47.7174.600000111.3S1182 K1183 K1188 K1189 L1190S1182-A1186 WeakPolarHBondContact O-CB 3.45Å; S1182-A1186 PolarHBondContact O-N 2.88Å; K1183-A1186 PolarHBondContact O-N 3.28Å; A1186-K1188 VanDerWaalsContact C-N 3.27Å; A1186-K1188 PolarHBondContact O-N 2.77Å; A1186-K1189 PolarHBondContact O-N 3.07Å; A1186-K1189 VanDerWaalsContact O-N 3.15Å; A1186-L1190 PolarHBondContact O-N 2.76Å
1187V46.4Very low43.3Very low77 Ų77105.6 Ų105.647%0.46756%0.556SS.*Hα-helixtrans-57.9-40.8171.9172.30000110.9K1183 L1190 L1191K1183-V1187 WeakPolarHBondContact O-CG2 3.12Å; K1183-V1187 PolarHBondContact O-N 3.05Å; V1187-L1190 PolarHBondContact O-N 2.98Å; V1187-L1191 HydrophobicContact CG1-CD1 3.85Å; V1187-L1191 HydrophobicContact CG1-CG 4.44Å; V1187-L1191 WeakPolarHBondContact O-CB 3.39Å; V1187-L1191 VanDerWaalsContact O-CG 3.31Å; V1187-L1191 WeakPolarHBondContact O-CG 3.29Å; V1187-L1191 PolarHBondContact O-N 2.91Å
1188K47.8Very low42.9Very low151 Ų151106.5 Ų106.566%0.65756%0.56SS**Hα-helixtrans-69-32.7176.9-162.9170.7-174.5174.50113.3A1184 A1185 A1186 T1192A1184-K1188 WeakPolarHBondContact O-CB 3.44Å; A1184-K1188 PolarHBondContact O-N 3.35Å; A1185-K1188 CarbonylContact O-C 3.52Å; A1185-K1188 PolarHBondContact O-N 2.95Å; A1186-K1188 VanDerWaalsContact C-N 3.27Å; A1186-K1188 PolarHBondContact O-N 2.77Å; K1188-T1192 WeakPolarHBondContact O-CB 3.5Å; K1188-T1192 WeakPolarHBondContact O-CG2 3.45Å; K1188-T1192 PolarHBondContact O-N 2.96Å; K1188-T1192 PolarHBondContact O-OG1 2.98Å
1189K43.6Very low42.7Very low118 Ų118107 Ų10751%0.51356%0.564SS.*Hα-helixtrans-69.6-44.3171.2-78.4-161.5170.8-166.30111E273 A1185 A1186 L1191 T1192 I1193E273-K1189 IonicContact OE1-NZ 2.62Å; E273-K1189 PolarHBondContact OE1-NZ 3.37Å; A1185-K1189 PolarHBondContact O-N 3.23Å; A1186-K1189 PolarHBondContact O-N 3.07Å; A1186-K1189 VanDerWaalsContact O-N 3.15Å; K1189-L1191 PolarHBondContact O-N 3.27Å; K1189-T1192 WeakPolarHBondContact CA-OG1 3.42Å; K1189-T1192 PolarHBondContact O-N 3.17Å; K1189-T1192 PolarHBondContact O-OG1 3.08Å; K1189-I1193 WeakPolarHBondContact O-CG1 3.38Å; K1189-I1193 PolarHBondContact O-N 2.83Å
1190L37.1Very low42Very low122 Ų122108.1 Ų108.164%0.63958%0.575SS**Hα-helixtrans-54.6-50.8172.5-74.1164.6000111.6A1186 V1187 T1192A1186-L1190 PolarHBondContact O-N 2.76Å; V1187-L1190 PolarHBondContact O-N 2.98Å; L1190-T1192 PolarHBondContact O-N 3.08Å
1191L35.8Very low41Very low123 Ų123110.1 Ų110.164%0.64459%0.59SS**Hα-helixtrans-69.41.2177.4-66.6172000115.3V1187 K1189V1187-L1191 HydrophobicContact CG1-CD1 3.85Å; V1187-L1191 HydrophobicContact CG1-CG 4.44Å; V1187-L1191 WeakPolarHBondContact O-CB 3.39Å; V1187-L1191 VanDerWaalsContact O-CG 3.31Å; V1187-L1191 WeakPolarHBondContact O-CG 3.29Å; V1187-L1191 PolarHBondContact O-N 2.91Å; K1189-L1191 PolarHBondContact O-N 3.27Å
1192T45.7Very low39.6Very low65 Ų65109.2 Ų109.240%0.39959%0.593SS.*Hα-helixtrans-124-14.7177.850.60000115.2K1188 K1189 L1190 D1194 K1195K1188-T1192 WeakPolarHBondContact O-CB 3.5Å; K1188-T1192 WeakPolarHBondContact O-CG2 3.45Å; K1188-T1192 PolarHBondContact O-N 2.96Å; K1188-T1192 PolarHBondContact O-OG1 2.98Å; K1189-T1192 WeakPolarHBondContact CA-OG1 3.42Å; K1189-T1192 PolarHBondContact O-N 3.17Å; K1189-T1192 PolarHBondContact O-OG1 3.08Å; L1190-T1192 PolarHBondContact O-N 3.08Å; T1192-D1194 PolarHBondContact O-N 3.28Å; T1192-K1195 PolarHBondContact O-N 3.15Å
1193I40.9Very low38.6Very low86 Ų86116 Ų11644%0.44162%0.615SS.*Hα-helixtrans-56.2-37.6172.7-78.1161.2000111.8K1189 K1195 S1196K1189-I1193 WeakPolarHBondContact O-CG1 3.38Å; K1189-I1193 PolarHBondContact O-N 2.83Å; I1193-K1195 PolarHBondContact O-N 2.74Å; I1193-K1195 VanDerWaalsContact O-N 3.11Å; I1193-S1196 PolarHBondContact O-N 3.16Å; I1193-S1196 PolarHBondContact O-OG 2.99Å
1194D37.4Very low37.8Very low130 Ų130114.1 Ų114.170%0.69563%0.625SS**Hα-helixtrans-60.7-18.8175.3-78-14.9000114.6T1192T1192-D1194 PolarHBondContact O-N 3.28Å
1195K39.5Very low36.8Very low164 Ų164119.2 Ų119.271%0.71365%0.645SS**Hα-helixtrans-93.7-28.6-179.4-70.1176-179.4166.20113T1192 I1193T1192-K1195 PolarHBondContact O-N 3.15Å; I1193-K1195 PolarHBondContact O-N 2.74Å; I1193-K1195 VanDerWaalsContact O-N 3.11Å
1196S33.1Very low35.5Very low75 Ų75120 Ų12052%0.52466%0.658SS.*Hα-helixtrans-75.4-36.4177.9440000113.4I1193 R1198 A1199I1193-S1196 PolarHBondContact O-N 3.16Å; I1193-S1196 PolarHBondContact O-OG 2.99Å; S1196-R1198 PolarHBondContact O-N 2.89Å; S1196-R1198 VanDerWaalsContact O-N 3.13Å; S1196-A1199 PolarHBondContact O-N 3.48Å
1197N34.1Very low34.7Very low110 Ų110127.8 Ų127.859%0.58868%0.677SS**THydrogen-bonded Turntrans-65.4-16.9-177.3-77.2-12000114A1199N1197-A1199 VanDerWaalsContact C-N 3.31Å; N1197-A1199 PolarHBondContact O-N 3.11Å
1198R32.5Very low33.6Very low234 Ų234133 Ų13388%0.88369%0.694SS**THydrogen-bonded Turntrans-77.5-5.6177.2-88.4-174173178.50.7115.3S1196S1196-R1198 PolarHBondContact O-N 2.89Å; S1196-R1198 VanDerWaalsContact O-N 3.13Å
1199A34.9Very low32.6Very low71 Ų71136.6 Ų136.659%0.58770%0.704SS**SBendtrans-86-32.7-172.800000115.4S1196 N1197S1196-A1199 PolarHBondContact O-N 3.48Å; N1197-A1199 VanDerWaalsContact C-N 3.31Å; N1197-A1199 PolarHBondContact O-N 3.11Å
1200N30.2Very low31.6Very low145 Ų145140.6 Ų140.678%0.77572%0.716SS**SBendtrans-104.6-14.6-160.9-76-0.3000116.6S1202N1200-S1202 PolarHBondContact O-N 3.38Å
1201N27.9Very low30.9Very low160 Ų160139.3 Ų139.386%0.85672%0.717SS**  trans-100.455-175.9-76.9-2000113.1
1202S28.1Very low30.4Very low94 Ų94139.1 Ų139.166%0.65772%0.721SS**  trans-96.723.8-17576.90000115.5N1200N1200-S1202 PolarHBondContact O-N 3.38Å
1203F26.1Very low29.4Very low206 Ų206140.9 Ų140.990%0.90473%0.731SS**  trans-147.961.5-178.3-93.4-67.6000114.8
1204A29.1Very low28.8Very low100 Ų100140.9 Ų140.983%0.82674%0.744SS**  trans-150141.9158.800000110.8
1205N25.5Very low28.1Very low167 Ų167139.2 Ų139.289%0.89374%0.743SS**  trans-84.8150.1177.8-66.3-46.1000110.9
1206G27.2Very low27.4Very low70 Ų70136.4 Ų136.472%0.72274%0.744SS**  trans-178.5-27.8172.100000118.9F1208G1206-F1208 PolarHBondContact O-N 2.86Å
1207Y26.5Very low27Very low215 Ų215137.1 Ų137.184%0.84375%0.749SS**  trans53.139.4172.1-81.5-77.1000118.1R1209Y1207-R1209 VanDerWaalsContact C-N 3.27Å; Y1207-R1209 PolarHBondContact O-N 3.43Å
1208F22.9Very low26.6Very low188 Ų188137.1 Ų137.183%0.82575%0.753SS**  trans-76.780.7161.4-147.6-81.9000110.7G1206 R1210G1206-F1208 PolarHBondContact O-N 2.86Å; F1208-R1210 VanDerWaalsContact C-N 3.27Å; F1208-R1210 HydrophobicContact CD1-CG 3.97Å; F1208-R1210 HydrophobicContact CE1-CG 3.95Å; F1208-R1210 PolarHBondContact O-N 3.2Å
1209R25.9Very low26.3Very low225 Ų225137 Ų13785%0.84975%0.752SS**  trans-69.188.3162.9-87.8-165.6176.4-163.21.4108.3Y1207 S1211Y1207-R1209 VanDerWaalsContact C-N 3.27Å; Y1207-R1209 PolarHBondContact O-N 3.43Å; R1209-S1211 PolarHBondContact O-N 2.92Å
1210R23Very low26Very low203 Ų203138.7 Ų138.777%0.76676%0.755SS**  trans-52.5132.8149.3-82.8-167.4175.8-163.8-1.7106.6F1208 T1212F1208-R1210 VanDerWaalsContact C-N 3.27Å; F1208-R1210 HydrophobicContact CD1-CG 3.97Å; F1208-R1210 HydrophobicContact CE1-CG 3.95Å; F1208-R1210 PolarHBondContact O-N 3.2Å; R1210-T1212 PolarHBondContact O-N 2.98Å
1211S23.2Very low25.8Very low94 Ų94135.1 Ų135.166%0.65775%0.745SS**  trans-76.164.8177.7-158.40000111R1209 T1213R1209-S1211 PolarHBondContact O-N 2.92Å; S1211-T1213 PolarHBondContact O-N 2.96Å; S1211-T1213 PolarHBondContact O-OG1 2.96Å; S1211-T1213 PolarHBondContact OG-OG1 3.49Å
1212T25.2Very low26Very low120 Ų120135.8 Ų135.874%0.73674%0.741SS**  trans-71.561.3145.863.40000108.5R1210 A1214R1210-T1212 PolarHBondContact O-N 2.98Å; T1212-A1214 PolarHBondContact O-N 3.15Å
1213T25.3Very low26Very low101 Ų101138.4 Ų138.462%0.6275%0.748SS**  trans-6262.2130.346.50000108.1S1211 S1215S1211-T1213 PolarHBondContact O-N 2.96Å; S1211-T1213 PolarHBondContact O-OG1 2.96Å; S1211-T1213 PolarHBondContact OG-OG1 3.49Å; T1213-S1215 PolarHBondContact O-N 3.4Å
1214A26.4Very low26.2Very low86 Ų86134.3 Ų134.371%0.71173%0.729SS**  trans-56.394.8136.400000103T1212 S1216T1212-A1214 PolarHBondContact O-N 3.15Å; A1214-S1216 PolarHBondContact O-N 3.14Å
1215S24.3Very low26.2Very low96 Ų96132 Ų13267%0.67172%0.715SS**  trans-55.6116.9-173.8-72.40000106.7T1213 S1217T1213-S1215 PolarHBondContact O-N 3.4Å; S1215-S1217 PolarHBondContact O-N 2.69Å
1216S24Very low26.7Very low105 Ų105129.9 Ų129.973%0.73470%0.704SS**  trans-61.470.4136.359.90000106.7A1214 V1218A1214-S1216 PolarHBondContact O-N 3.14Å; S1216-V1218 PolarHBondContact O-N 3.13Å
1217S24.5Very low27Very low90 Ų90130.1 Ų130.163%0.62969%0.686SS**  trans-46.694.6133.4174.70000103.1S1215 R1219S1215-S1217 PolarHBondContact O-N 2.69Å; S1217-R1219 VanDerWaalsContact C-N 3.31Å; S1217-R1219 PolarHBondContact O-N 3.34Å
1218V27Very low27.5Very low109 Ų109124.7 Ų124.766%0.66167%0.671SS**  trans-51.2113.2165.3176.50000101.7S1216 V1220S1216-V1218 PolarHBondContact O-N 3.13Å; V1218-V1220 HydrophobicContact CB-CG2 4.28Å; V1218-V1220 HydrophobicContact CG1-CG2 3.81Å; V1218-V1220 PolarHBondContact O-N 2.76Å
1219R24.7Very low28.2Very low233 Ų233118.2 Ų118.288%0.87965%0.652SS**  trans-68.870.6167.9-66.1-171.2-168.7177.72.9106.5S1217 A1221S1217-R1219 VanDerWaalsContact C-N 3.31Å; S1217-R1219 PolarHBondContact O-N 3.34Å; R1219-A1221 PolarHBondContact O-N 3.2Å
1220V28.8Very low28.7Very low106 Ų106113.7 Ų113.764%0.64264%0.639SS**  trans-54.292.2143.8-1760000102.5V1218 K1222V1218-V1220 HydrophobicContact CB-CG2 4.28Å; V1218-V1220 HydrophobicContact CG1-CG2 3.81Å; V1218-V1220 PolarHBondContact O-N 2.76Å; V1220-K1222 HydrophobicContact CG1-CG 4.14Å; V1220-K1222 PolarHBondContact O-N 3.32Å
1221A26.6Very low29.6Very low69 Ų69105.1 Ų105.157%0.5761%0.608SS**  trans-68.471.9166.400000106.5R1219 N1223R1219-A1221 PolarHBondContact O-N 3.2Å; A1221-N1223 WeakPolarHBondContact CB-OD1 3.42Å; A1221-N1223 PolarHBondContact O-N 3.09Å; A1221-N1223 PolarHBondContact O-OD1 3.32Å
1222K31.2Very low30.5Very low174 Ų174107 Ų10776%0.75761%0.607SS**  trans-51.8100.5140.9-73.4-173.8178.2-179.20102.7V1220 K1224V1220-K1222 HydrophobicContact CG1-CG 4.14Å; V1220-K1222 PolarHBondContact O-N 3.32Å; K1222-K1224 PolarHBondContact O-N 3.32Å
1223N28.6Very low31.3Very low150 Ų150105 Ų10580%0.80260%0.597SS**  trans-7265.8-177.5-74.2-25000109.2A1221 G1225A1221-N1223 WeakPolarHBondContact CB-OD1 3.42Å; A1221-N1223 PolarHBondContact O-N 3.09Å; A1221-N1223 PolarHBondContact O-OD1 3.32Å; N1223-G1225 PolarHBondContact O-N 3.42Å
1224K29.4Very low32Very low119 Ų119106.1 Ų106.152%0.51759%0.594SS.*  trans-6491.3149.9-67.9-162.3175.3-165.90105.1K1222 E1387K1222-K1224 PolarHBondContact O-N 3.32Å; K1224-E1387 IonicContact NZ-OE1 2.8Å; K1224-E1387 PolarHBondContact NZ-OE1 2.88Å; K1224-E1387 IonicContact NZ-OE2 2.85Å; K1224-E1387 PolarHBondContact NZ-OE2 3.47Å
1225G29.9Very low32.4Very low51 Ų51105.1 Ų105.153%0.52658%0.58SS.*  trans-58.1159.3165.600000109.2N1223 H1227N1223-G1225 PolarHBondContact O-N 3.42Å; G1225-H1227 PolarHBondContact O-N 3.23Å
1226D36.2Very low33Very low124 Ų124104.4 Ų104.466%0.66358%0.576SS**  trans-40.7123.6-171.8-66.6-65.5000112.1L1228 A1229 F1230D1226-L1228 CarbonylContact O-C 3.53Å; D1226-L1228 PolarHBondContact O-N 3.47Å; D1226-L1228 VanDerWaalsContact O-N 3.08Å; D1226-A1229 HydrophobicContact CB-CB 4.23Å; D1226-A1229 WeakPolarHBondContact O-CA 3.33Å; D1226-A1229 WeakPolarHBondContact O-CB 3.49Å; D1226-A1229 PolarHBondContact O-N 2.87Å; D1226-F1230 PolarHBondContact O-N 3.42Å
1227H33.6Very low33.4Very low75 Ų75101.6 Ų101.635%0.34756%0.563SS.*Hα-helixtrans-57.3-30.8-176.4-79.2-109.5000111.4G1225 F1230 I1231 E1387G1225-H1227 PolarHBondContact O-N 3.23Å; H1227-F1230 PolarHBondContact O-N 2.91Å; H1227-I1231 WeakPolarHBondContact O-CB 3.23Å; H1227-I1231 VanDerWaalsContact O-CG1 3.23Å; H1227-I1231 WeakPolarHBondContact O-CG1 3.44Å; H1227-I1231 PolarHBondContact O-N 3.45Å; H1227-E1387 IonicContact CE1-OE2 2.66Å; H1227-E1387 PolarHBondContact CE1-OE2 2.75Å
1228L36.2Very low33.7Very low100 Ų100105.9 Ų105.952%0.52457%0.57SS.*Hα-helixtrans-55.2-54.9167-77.5137.9000112.5D1226 F1230 I1231 E1232D1226-L1228 CarbonylContact O-C 3.53Å; D1226-L1228 PolarHBondContact O-N 3.47Å; D1226-L1228 VanDerWaalsContact O-N 3.08Å; L1228-F1230 VanDerWaalsContact C-N 3.31Å; L1228-F1230 PolarHBondContact O-N 3.43Å; L1228-I1231 PolarHBondContact O-N 3.31Å; L1228-E1232 WeakPolarHBondContact O-CB 3.47Å; L1228-E1232 WeakPolarHBondContact O-CG 3.23Å; L1228-E1232 PolarHBondContact O-N 3.48Å
1229A38.6Very low34Very low53 Ų53107.7 Ų107.744%0.43858%0.576SS.*Hα-helixtrans-65.7-32.3179.400000112.8D1226 S1233D1226-A1229 HydrophobicContact CB-CB 4.23Å; D1226-A1229 WeakPolarHBondContact O-CA 3.33Å; D1226-A1229 WeakPolarHBondContact O-CB 3.49Å; D1226-A1229 PolarHBondContact O-N 2.87Å; A1229-S1233 WeakPolarHBondContact O-CB 3.4Å; A1229-S1233 PolarHBondContact O-N 2.78Å; A1229-S1233 VanDerWaalsContact O-N 3.1Å
1230F36.7Very low34.5Very low130 Ų130105.5 Ų105.557%0.5757%0.573SS**Hα-helixtrans-68.5-38.2173.4-176-105.5000112.3D1226 H1227 L1228 S1233 K1234D1226-F1230 PolarHBondContact O-N 3.42Å; H1227-F1230 PolarHBondContact O-N 2.91Å; L1228-F1230 VanDerWaalsContact C-N 3.31Å; L1228-F1230 PolarHBondContact O-N 3.43Å; F1230-S1233 WeakPolarHBondContact O-CB 3.3Å; F1230-K1234 WeakPolarHBondContact O-CB 3.42Å; F1230-K1234 PolarHBondContact O-N 3.33Å
1231I41.9Very low34.5Very low23 Ų23109.5 Ų109.512%0.11859%0.585CS.*Hα-helixtrans-77.9-39.8178.4-68.2167.4000111.4H1227 L1228 S1233 K1234 C1235 L1388 W1391H1227-I1231 WeakPolarHBondContact O-CB 3.23Å; H1227-I1231 VanDerWaalsContact O-CG1 3.23Å; H1227-I1231 WeakPolarHBondContact O-CG1 3.44Å; H1227-I1231 PolarHBondContact O-N 3.45Å; L1228-I1231 PolarHBondContact O-N 3.31Å; I1231-S1233 VanDerWaalsContact C-N 3.26Å; I1231-S1233 PolarHBondContact O-N 3.34Å; I1231-K1234 PolarHBondContact O-N 2.87Å; I1231-C1235 WeakPolarHBondContact O-CB 2.97Å; I1231-C1235 PolarHBondContact O-N 3.14Å; I1231-C1235 PolarHBondContact O-SG 3.42Å; I1231-L1388 HydrophobicContact CD1-CD1 3.78Å; I1231-L1388 HydrophobicContact CG1-CD1 4.15Å; I1231-W1391 HydrophobicContact CD1-CB 4.25Å; I1231-W1391 HydrophobicContact CD1-CD2 3.64Å; I1231-W1391 HydrophobicContact CD1-CE3 4.14Å; I1231-W1391 HydrophobicContact CD1-CG 3.64Å
1232E40.7Very low34.5Very low134 Ų134114.2 Ų114.263%0.62659%0.588SS**Hα-helixtrans-56-42.4170-76178.4173.400111L1228 S1236L1228-E1232 WeakPolarHBondContact O-CB 3.47Å; L1228-E1232 WeakPolarHBondContact O-CG 3.23Å; L1228-E1232 PolarHBondContact O-N 3.48Å; E1232-S1236 VanDerWaalsContact O-CB 3.27Å; E1232-S1236 WeakPolarHBondContact O-CB 3.43Å; E1232-S1236 PolarHBondContact O-N 2.82Å; E1232-S1236 PolarHBondContact O-OG 3.46Å
1233S42.7Very low34.4Very low76 Ų76113.4 Ų113.453%0.53159%0.592SS.*Hα-helixtrans-60.2-44.6170.8165.20000113A1229 F1230 I1231 S1236 G1237A1229-S1233 WeakPolarHBondContact O-CB 3.4Å; A1229-S1233 PolarHBondContact O-N 2.78Å; A1229-S1233 VanDerWaalsContact O-N 3.1Å; F1230-S1233 WeakPolarHBondContact O-CB 3.3Å; I1231-S1233 VanDerWaalsContact C-N 3.26Å; I1231-S1233 PolarHBondContact O-N 3.34Å; S1233-S1236 PolarHBondContact O-OG 3.29Å; S1233-G1237 PolarHBondContact O-N 2.99Å
1234K39.7Very low34.5Very low126 Ų126114.3 Ų114.355%0.54860%0.596SS.*Hα-helixtrans-72.6-37-177.8-157.3-179.7-177.2-1700112.8F1230 I1231 G1237F1230-K1234 WeakPolarHBondContact O-CB 3.42Å; F1230-K1234 PolarHBondContact O-N 3.33Å; I1231-K1234 PolarHBondContact O-N 2.87Å; K1234-G1237 PolarHBondContact O-N 2.97Å
1235C34.3Very low34.4Very low64 Ų64120.5 Ų120.543%0.43262%0.616SS.*Hα-helixtrans-74.5-46.8179.3-59.90000111.4I1231 G1237 K1238I1231-C1235 WeakPolarHBondContact O-CB 2.97Å; I1231-C1235 PolarHBondContact O-N 3.14Å; I1231-C1235 PolarHBondContact O-SG 3.42Å; C1235-G1237 PolarHBondContact O-N 3.41Å; C1235-G1237 VanDerWaalsContact O-N 3.1Å; C1235-K1238 PolarHBondContact O-N 2.97Å
1236S38.5Very low34.2Very low82 Ų82126.9 Ų126.957%0.57363%0.633SS**Hα-helixtrans-65.4-11.217463.10000114.1E1232 S1233E1232-S1236 VanDerWaalsContact O-CB 3.27Å; E1232-S1236 WeakPolarHBondContact O-CB 3.43Å; E1232-S1236 PolarHBondContact O-N 2.82Å; E1232-S1236 PolarHBondContact O-OG 3.46Å; S1233-S1236 PolarHBondContact O-OG 3.29Å
1237G32.4Very low34Very low45 Ų45127 Ų12746%0.46464%0.641SS.*THydrogen-bonded Turntrans-73.9-24.817600000115.5S1233 K1234 C1235S1233-G1237 PolarHBondContact O-N 2.99Å; K1234-G1237 PolarHBondContact O-N 2.97Å; C1235-G1237 PolarHBondContact O-N 3.41Å; C1235-G1237 VanDerWaalsContact O-N 3.1Å
1238K30.7Very low33.8Very low181 Ų181130.2 Ų130.279%0.78767%0.665SS**G310 helixtrans-75.2-31.3-174.5-78.8-176.6175.8175.60113.8C1235 K1240C1235-K1238 PolarHBondContact O-N 2.97Å; K1238-K1240 PolarHBondContact O-N 2.95Å; K1238-K1240 VanDerWaalsContact O-N 3.15Å
1239D33Very low33.4Very low146 Ų146129.3 Ų129.378%0.78167%0.671SS**G310 helixtrans-76.94.9-176.5-77.6-9.7000115.1
1240K34.4Very low33.2Very low188 Ų188133 Ų13382%0.81769%0.691SS**G310 helixtrans-120.716.6-175-80.8-175.9176.8172.10116.5K1238K1238-K1240 PolarHBondContact O-N 2.95Å; K1238-K1240 VanDerWaalsContact O-N 3.15Å
1241Q29.2Very low32.8Very low190 Ų190133.6 Ų133.689%0.88871%0.705SS**SBendtrans-120.422.5168.8-72-160.3-24.700114.4
1242R27.6Very low31.9Very low168 Ų168144.3 Ų144.363%0.63474%0.744SS**SBendtrans-119.864.6177.1-161.4176.6-165.7162.3-2.8112.9E233E233-R1242 IonicContact OE1-CZ 3.28Å; E233-R1242 IonicContact OE1-NH1 2.67Å; E233-R1242 PolarHBondContact OE1-NH1 2.91Å; E233-R1242 IonicContact OE1-NH2 3.55Å; E233-R1242 PolarHBondContact OE1-NH2 3.32Å; E233-R1242 IonicContact OE2-CZ 2.93Å; E233-R1242 IonicContact OE2-NE 3.91Å; E233-R1242 IonicContact OE2-NH1 3.86Å; E233-R1242 PolarHBondContact OE2-NH1 3.5Å; E233-R1242 IonicContact OE2-NH2 3.57Å; E233-R1242 PolarHBondContact OE2-NH2 3.47Å; E233-R1242 VanDerWaalsContact OE2-NH2 3.13Å
1243N28.4Very low31.2Very low156 Ų156141.3 Ų141.383%0.83475%0.749SS**SBendtrans179.185.4157-93.7-23.4000109.1
1244D29.7Very low30.4Very low169 Ų169142.2 Ų142.290%0.90476%0.761SS**  trans-17759.3160.9-105.7-18.4000113.2
1245R27.3Very low29.7Very low249 Ų249146.8 Ų146.894%0.9478%0.781SS**  trans-14495.4162.1-73.4-162175.9179.90.4111.4
1246Q27.1Very low29.3Very low186 Ų186147.2 Ų147.287%0.86980%0.796SS**  trans-66.2151.5167.5-76.7-176.8-37.200111.4
1247P31.7Very low28.6Very low127 Ų127154 Ų15483%0.82581%0.809SS**  trans-76140.8-178.231.2-35.1000112.2
1248V29.3Very low28.3Very low142 Ų142157.2 Ų157.286%0.86182%0.822SS**  trans-120.3134.9167.9179.70000108.7
1249A26.8Very low27.9Very low80 Ų80157 Ų15766%0.66182%0.824SS**PPolyproline II helixtrans-66.6156.6-170.400000113.9V1251A1249-V1251 PolarHBondContact O-N 3.48Å
1250P35Very low27.5Very low130 Ų130156.3 Ų156.384%0.84483%0.825SS**PPolyproline II helixtrans-77.9122.9-166.729.9-35.5000113.7
1251V29Very low27Very low143 Ų143156 Ų15687%0.86782%0.824SS**PPolyproline II helixtrans-86.6116172179.10000110.4A1249A1249-V1251 PolarHBondContact O-N 3.48Å
1252R22.9Very low26.7Very low248 Ų248156.4 Ų156.494%0.93682%0.822SS**PPolyproline II helixtrans-74.2137.7167.2-74.9174.5164.2174.9-5.8110.3
1253G26.4Very low26.5Very low71 Ų71155.7 Ų155.773%0.73283%0.83SS**  trans142.984.117500000111.6
1254A24.7Very low26.2Very low96 Ų96152.6 Ų152.679%0.79382%0.817SS**  82.713559.200000114.3
1255K25.1Very low25.9Very low221 Ų221148.4 Ų148.496%0.96180%0.801SS**  trans74144.3-177.8-53.1179.5179.6-179.70115.3
1256G25.9Very low26Very low73 Ų73144.4 Ų144.475%0.75380%0.799SS**  trans131.514.4167.400000119.2P1258G1256-P1258 WeakPolarHBondContact O-CD 3.43Å
1257R23.3Very low25.9Very low224 Ų224142.1 Ų142.185%0.84579%0.792SS**  trans-82.1112.3170.2-174.5-173.9-169.8-1725.3109.8
1258P26.6Very low26.1Very low113 Ų113143.3 Ų143.373%0.73479%0.791SS**  trans-77.3122.917031.5-32.2000109.5G1256G1256-P1258 WeakPolarHBondContact O-CD 3.43Å
1259E23.6Very low26.6Very low176 Ų176141.6 Ų141.682%0.82278%0.784SS**  trans-81.5129.8169.1-62.2-177.6120.100109.9
1260V23.6Very low26.4Very low132 Ų132142.9 Ų142.980%0.879%0.788SS**  trans-123.387.1160.9-174.30000109.4
1261K23.5Very low25.8Very low183 Ų183141.2 Ų141.280%0.79678%0.779SS**  trans53.182.2143.3-59.7-178.1-179.7-179.40116.9L1263K1261-L1263 PolarHBondContact O-N 3.13Å
1262K23.2Very low25.5Very low197 Ų197138.9 Ų138.986%0.85777%0.769SS**  trans-46.2120.1140.4177.8-175.4-178.1-176.30109.7
1263L23.2Very low25.8Very low153 Ų153135.5 Ų135.580%0.80176%0.761SS**  trans-108.497156.4-80168.8000105.7K1261K1261-L1263 PolarHBondContact O-N 3.13Å
1264T23.5Very low25.6Very low91 Ų91142.3 Ų142.356%0.55877%0.77SS**  66.290.7100.7570000111.1
1265S23.4Very low25.7Very low82 Ų82141.2 Ų141.257%0.57377%0.768SS**  62.3109.279.472.60000112.5
1266N27.6Very low25.7Very low165 Ų165140.6 Ų140.688%0.88277%0.766SS**  trans-143.1126.3146.4-88-37.8000106.6
1267D25.8Very low25.7Very low137 Ų137141.4 Ų141.473%0.73377%0.765SS**  trans-78.9179.9-155.9-54.5-96.4000115.1
1268D36.5Very low26.3Very low152 Ų152136.3 Ų136.381%0.81376%0.762SS**  trans-37.6161.9155.8-69.7-65000114
1269P39.2Very low26.1Very low107 Ų107136.2 Ų136.270%0.69576%0.764SS**  cis-150.8-175.730.543-22.7000118.2
1270S22.4Very low26.3Very low107 Ų107133.1 Ų133.175%0.74877%0.768SS**  trans78.4160.9142.289.10000118
1271S22.4Very low26.6Very low95 Ų95130.4 Ų130.466%0.66477%0.766SS**  cis-171.1161.5-31.256.10000111
1272S23.9Very low26.6Very low93 Ų93130.5 Ų130.565%0.6577%0.77SS**  trans69.7151.9162.989.30000116
1273K27.7Very low26.9Very low178 Ų178130.3 Ų130.377%0.77477%0.772SS**  cis-122.1145.3-12.3-78.699.2-178.3-179.40107.2
1274K22.8Very low26.9Very low213 Ų213132.2 Ų132.293%0.92678%0.777SS**  58.2109.565-80.5-174.6175.1177.30114.3
1275G27Very low27Very low73 Ų73133 Ų13375%0.75379%0.786SS**  trans162.449178.500000112.5
1276K24.8Very low27.1Very low208 Ų208134.4 Ų134.490%0.90480%0.796SS**  67.7116.489.7-94.9-161.9169.8-165.60115.6
1277A26.6Very low26.8Very low90 Ų90135 Ų13574%0.74479%0.79SS**  trans-38.5161.1161.700000116.9
1278P35.5Very low26.9Very low118 Ų118134.1 Ų134.177%0.76679%0.792SS**  -131.7143.485.926.9-10.2000113
1279S23.1Very low26.1Very low111 Ų111130.9 Ų130.978%0.77678%0.778SS**  cis92.289.441.281.60000115.8
1280A27.7Very low25.6Very low110 Ų110133.1 Ų133.191%0.90978%0.783SS**  trans-166.9144.8152.400000107.4
1281G28.4Very low25.6Very low75 Ų75135.8 Ų135.877%0.77378%0.783SS**  cis-155.8167-5.600000110.2
1282Q24.5Very low25.7Very low185 Ų185136.1 Ų136.186%0.86479%0.786SS**  trans-66.8152.1-175.6-58.8155.2-44.300112.8
1283Q29.7Very low25.8Very low194 Ų194139.4 Ų139.491%0.90780%0.796SS**  -163.9159.2105.2-101.4166.427.500112.4
1284Q22.9Very low25.7Very low193 Ų193134.6 Ų134.690%0.90279%0.79SS**  trans-124.6129.6-175-61.8170.3-51.100110
1285S25.3Very low26Very low107 Ų107133.1 Ų133.175%0.74879%0.786SS**  trans-174.3108.6151.1500000108.3
1286S24.7Very low25.9Very low111 Ų111136.5 Ų136.578%0.77679%0.786SS**  64.511267.279.10000113.9
1287K21.6Very low26Very low177 Ų177133.9 Ų133.977%0.7778%0.782SS**  trans-9.9142.2164.2-86.2-174.9167.1-158.10117.5T1289K1287-T1289 WeakPolarHBondContact CD-OG1 3.5Å; K1287-T1289 WeakPolarHBondContact CE-OG1 2.87Å; K1287-T1289 PolarHBondContact NZ-OG1 3.43Å; K1287-T1289 VanDerWaalsContact NZ-OG1 3.08Å
1288P28.5Very low26Very low119 Ų119133.1 Ų133.177%0.77378%0.784SS**  -112.4123.6120.132.3-29000111.3
1289T20.3Very low25.5Very low85 Ų85136 Ų13652%0.52179%0.787SS.*  trans-99.5125.4159.3-62.70000106.6K1287K1287-T1289 WeakPolarHBondContact CD-OG1 3.5Å; K1287-T1289 WeakPolarHBondContact CE-OG1 2.87Å; K1287-T1289 PolarHBondContact NZ-OG1 3.43Å; K1287-T1289 VanDerWaalsContact NZ-OG1 3.08Å
1290I28.3Very low25.9Very low153 Ų153138.6 Ų138.679%0.78579%0.792SS**  trans-123.4114.4173.1-61.6-179.2000107.8
1291Q22.8Very low25.8Very low164 Ų164141.2 Ų141.277%0.76679%0.786SS**  trans-94.7-170.9164.5-66.4173.8-98.600108.6
1292S24.8Very low25.7Very low102 Ų102142.3 Ų142.371%0.71379%0.787SS**  trans75.4143.4172.577.70000116.1
1293D25.7Very low25.9Very low162 Ų162141.8 Ų141.887%0.86679%0.785SS**  cis-158178.5-19-112.8-37.1000112.6
1294A24Very low26.7Very low77 Ų77137.1 Ų137.164%0.63677%0.771SS**  trans-66.6145.6-171.500000117.7
1295Q29Very low26.8Very low182 Ų182134.9 Ų134.985%0.8577%0.765SS**  trans-166.8123.5148.2-100.5146.566.500106
1296N25.3Very low26.8Very low143 Ų143140.8 Ų140.877%0.76577%0.771SS**  cis73.5141.924.1-148.316.2000114.4
1297N27.1Very low27.1Very low153 Ų153139.9 Ų139.982%0.81877%0.77SS**  trans76.1145.3-158.6-46.6-35.5000113.4
1298G27.1Very low28.4Very low75 Ų75137.6 Ų137.677%0.77377%0.773SS**  cis-155.6176.90.700000112.7
1299Q25.3Very low28.2Very low179 Ų179135 Ų13584%0.83677%0.768SS**  trans-96.9152.5-175.5-58.9150.7-84.100111.7
1300D32.1Very low28.7Very low164 Ų164141.3 Ų141.388%0.87779%0.789SS**  trans-165107.6146.5-88.8-35.3000106
1301E23.8Very low28.4Very low166 Ų166145 Ų14578%0.77679%0.793SS**  63.277.957-85.3-72.5113.100115.2
1302A27.3Very low28.7Very low98 Ų98141.1 Ų141.181%0.8179%0.788SS**  trans-156.8116.915300000113
1303Q27.7Very low29Very low173 Ų173142.6 Ų142.681%0.80879%0.788SS**  trans-96.9-164.2158-50.1-171.50.400108.5
1304P46.7Very low29.1Very low96 Ų96144.1 Ų144.162%0.62379%0.787SS**  cis-140-165.1-7.128.2-1.7000115.1
1305L25Very low29.3Very low147 Ų147147.7 Ų147.777%0.7778%0.784SS**  trans80.5138.6162-45.7175.7000116.9
1306R26.7Very low29.3Very low231 Ų231148.1 Ų148.187%0.87278%0.783SS**  cis-157.9155.1-15.9-124.7179-177.2-170.41.1109.2
1307A30.2Very low29.4Very low91 Ų91147.9 Ų147.975%0.75278%0.776SS**  trans-86.2-174.6179.500000112.4
1308P48.9Very low29.4Very low129 Ų129149.1 Ų149.184%0.83878%0.776SS**  cis-145.9174.24.643.2-24.3000118.9
1309G24.8Very low29.4Very low66 Ų66150.8 Ų150.868%0.6878%0.776SS**  128.1101.7125.900000122.8
1310K29.7Very low29.3Very low217 Ų217148 Ų14894%0.94377%0.771SS**  trans70.4159.8152.3-49.3173.4-177.9176.40119.5
1311R23.5Very low28.9Very low231 Ų231146.6 Ų146.687%0.87276%0.764SS**  -167.3146.3-50.3-170.3171.8-178171.52.3108.9
1312A28.2Very low28.8Very low82 Ų82148.2 Ų148.268%0.67876%0.762SS**  trans72155.7165.200000119.4
1313D30.6Very low28.5Very low133 Ų133152.3 Ų152.371%0.71177%0.765SS**  cis-167.6119.4-46.7-93-43.5000105.2
1314K28.4Very low28.3Very low194 Ų194147.4 Ų147.484%0.84376%0.761SS**  47.613495.4-70.2-171.1176.5-174.80114.2
1315R27Very low27.1Very low152 Ų152149.3 Ų149.357%0.57477%0.771SS**  cis-138.9173.343.5-70.2169.5165.6-178.8-14.5115.5Y1142 S1143Y1142-R1315 PolarHBondContact O-NH2 3.49Å; S1143-R1315 PolarHBondContact O-NH1 3.03Å; S1143-R1315 PolarHBondContact OG-NH1 3.15Å; S1143-R1315 PolarHBondContact OG-NH2 3.45Å
1316K29.8Very low27Very low190 Ų190148.5 Ų148.583%0.82677%0.772SS**  trans-129151.6162.6-98.9-169.7171.3-168.10107.6
1317F26.6Very low26.7Very low138 Ų138141.8 Ų141.861%0.60577%0.766SS**  trans-111145168.7-98.9-83.7000111.7S1143S1143-F1317 VanDerWaalsContact O-CZ 3.29Å; S1143-F1317 WeakPolarHBondContact O-CZ 3.37Å
1318H29.1Very low26.5Very low179 Ų179144.1 Ų144.183%0.82977%0.77SS**  trans-143.4174.1170.6-93.7-40.7000108.9
1319S25.5Very low25.2Very low110 Ų110142.3 Ų142.377%0.76976%0.76SS**  trans-114.2172.6-163.4-164.40000114.2
1320V24Very low25.1Very low120 Ų120146 Ų14673%0.72776%0.764SS**  trans71.1110.8163.3-125.10000120.6
1321N22.7Very low25.1Very low136 Ų136141.9 Ų141.973%0.72776%0.763SS**  122.2147.4111.5-129.5-10.7000121.7
1322R21.9Very low25Very low199 Ų199139.9 Ų139.975%0.75176%0.764SS**  trans62.7107.4156-78.5-179.1179.5175.6-0.8123.6
1323Q21.1Very low25.1Very low184 Ų184142.4 Ų142.486%0.8677%0.771SS**  52.3119.1114.2-65.9172.4-26.200121.1
1324G24.9Very low24.7Very low70 Ų70140.5 Ų140.572%0.72277%0.768SS**  trans-158.2160.816400000111.7
1325T21.4Very low24.7Very low137 Ų137137.6 Ų137.684%0.8476%0.762SS**  trans-143.1-177-170.956.30000113.6
1326V22.4Very low24.5Very low130 Ų130136.2 Ų136.279%0.78877%0.77SS**  trans80.5111.4179.3-1700000112.7
1327A20.2Very low24.5Very low90 Ų90136.4 Ų136.474%0.74477%0.774SS**  cis92.3171.147.800000113.7
1328V26.5Very low24.4Very low139 Ų139141 Ų14184%0.84279%0.787SS**  trans83.1140.4-164.2-176.40000113.6
1329S21.9Very low25Very low91 Ų91137.6 Ų137.664%0.63678%0.781SS**  cis-170.5140.6-44.3-113.90000109.4
1330D21.8Very low24.9Very low143 Ų143139.1 Ų139.177%0.76578%0.781SS**  trans23124.2143.8-38.7-58.4000121.1
1331S29Very low24.9Very low131 Ų131138.7 Ų138.792%0.91678%0.783SS**  trans-160134.1147.3-78.70000111
1332E22.5Very low25.2Very low190 Ų190136.9 Ų136.989%0.88879%0.787SS**  trans-106.3150.8-174.2-54.3175.5117.100112.5
1333T29.4Very low25.4Very low134 Ų134134.3 Ų134.382%0.82279%0.788SS**  trans165122.315040.60000106.2
1334S22.2Very low25.8Very low93 Ų93132.6 Ų132.665%0.6579%0.785SS**  cis114.1152.229.576.90000111
1335D28.4Very low26.1Very low134 Ų134136.7 Ų136.772%0.71779%0.79SS**  trans77.288161.9-56.5-62.7000122
1336T23.3Very low26.5Very low123 Ų123137.1 Ų137.176%0.75578%0.783SS**  54.1109.2109.1-49.30000120.2
1337E29.8Very low26.9Very low193 Ų193138 Ų13890%0.90278%0.783SS**  -164.4164118.5-113.2178.3-16500114.5
1338R24.6Very low27.6Very low235 Ų235141 Ų14189%0.88778%0.781SS**  trans-122.1160.9172.9-87.3-176.4173-173.5-0.4106.7
1339P41Very low27.9Very low107 Ų107144 Ų14470%0.69578%0.783SS**  cis-154.2178.737.244.4-23.4000119.2
1340N24Very low28.4Very low143 Ų143147.4 Ų147.477%0.76578%0.782SS**  trans58.2106.3141.4-67.2-0.8000123.2
1341S23.5Very low29.1Very low110 Ų110145 Ų14577%0.76977%0.774SS**  59.5107.8124690000121.6
1342A29.4Very low29.7Very low98 Ų98147 Ų14781%0.8177%0.766SS**  -138.3139.6128.200000108.2
1343N26.7Very low30.4Very low145 Ų145141.1 Ų141.178%0.77575%0.75SS**  trans-93.4128.3175.2-66.9-11.8000109.1
1344D30.1Very low30.7Very low148 Ų148136 Ų13679%0.79172%0.721SS**  trans-135103.3160.9-104.6-47.7000108.8Q1346D1344-Q1346 PolarHBondContact O-N 3.06Å
1345D29.8Very low31.5Very low157 Ų157135.7 Ų135.784%0.8471%0.713SS**  trans-7565.3-176.7-80-62.1000112.1N1347D1345-N1347 VanDerWaalsContact C-N 3.27Å; D1345-N1347 PolarHBondContact O-N 2.86Å
1346Q30.8Very low32Very low145 Ų145133.2 Ų133.268%0.67870%0.699SS**  trans-69.984.7169.2-69.9-95.8-11.400109.4D1344 H1348D1344-Q1346 PolarHBondContact O-N 3.06Å; Q1346-H1348 PolarHBondContact O-CD2 3.23Å; Q1346-H1348 PolarHBondContact O-N 3.38Å
1347N30Very low32.7Very low149 Ų149133.1 Ų133.180%0.79769%0.693SS**  trans-68.375.1179.5-172.6-7000111.5D1345 K1349D1345-N1347 VanDerWaalsContact C-N 3.27Å; D1345-N1347 PolarHBondContact O-N 2.86Å; N1347-K1349 PolarHBondContact O-N 3.45Å; N1347-K1349 VanDerWaalsContact O-N 3.11Å
1348H35.7Very low32.9Very low153 Ų153127.4 Ų127.471%0.70867%0.668SS**  trans-62.1110.6177.3-71.4-75000110.5Q1346 R1350Q1346-H1348 PolarHBondContact O-CD2 3.23Å; Q1346-H1348 PolarHBondContact O-N 3.38Å; H1348-R1350 VanDerWaalsContact C-N 3.35Å; H1348-R1350 PolarHBondContact O-N 3.3Å
1349K32.9Very low33.9Very low201 Ų201123.8 Ų123.887%0.87466%0.655SS**  trans-62.591.6173.6-69.6175.8-179.21700110.2N1347N1347-K1349 PolarHBondContact O-N 3.45Å; N1347-K1349 VanDerWaalsContact O-N 3.11Å
1350R31.1Very low34.4Very low163 Ų163127.5 Ų127.562%0.61566%0.655SS**  trans-52.2124176.9-152178.8-165.6177.93.2109.4H1348 A1354 I1358H1348-R1350 VanDerWaalsContact C-N 3.35Å; H1348-R1350 PolarHBondContact O-N 3.3Å; R1350-A1354 HydrophobicContact CG-CB 4.14Å; R1350-I1358 VanDerWaalsContact NH1-CD1 3.33Å
1351P36.6Very low35.8Very low93 Ų93123.1 Ų123.160%0.60464%0.635SS**  trans-64.4143.5-174.125.2-34.1000110.9A1353 A1354P1351-A1353 VanDerWaalsContact C-N 3.25Å; P1351-A1353 PolarHBondContact O-N 2.9Å; P1351-A1353 VanDerWaalsContact O-N 3.11Å; P1351-A1354 WeakPolarHBondContact O-CB 3.27Å; P1351-A1354 PolarHBondContact O-N 3.36Å
1352K43Very low37.6Very low173 Ų173120.3 Ų120.375%0.75262%0.616SS**Hα-helixtrans-51.9-41.3-169.9-69.4-177.4-179.3176.40113.5A1354 N1355 D1356K1352-A1354 PolarHBondContact O-N 2.93Å; K1352-A1354 VanDerWaalsContact O-N 3.11Å; K1352-N1355 WeakPolarHBondContact O-CA 3.41Å; K1352-N1355 WeakPolarHBondContact O-CB 3.17Å; K1352-N1355 PolarHBondContact O-N 2.89Å; K1352-D1356 PolarHBondContact O-N 3.15Å
1353A37.3Very low39.4Very low66 Ų66119.7 Ų119.755%0.54560%0.596SS.*Hα-helixtrans-52.7-33.917800000113.6P1351 D1356 L1357P1351-A1353 VanDerWaalsContact C-N 3.25Å; P1351-A1353 PolarHBondContact O-N 2.9Å; P1351-A1353 VanDerWaalsContact O-N 3.11Å; A1353-D1356 PolarHBondContact O-N 3.39Å; A1353-L1357 WeakPolarHBondContact O-CB 3.23Å; A1353-L1357 WeakPolarHBondContact O-CG 3.29Å; A1353-L1357 PolarHBondContact O-N 3.36Å
1354A34.9Very low41.7Very low26 Ų26119.1 Ų119.122%0.21558%0.583CS.*Hα-helixtrans-68.8-35.9175.200000112.4R1350 P1351 K1352 I1358R1350-A1354 HydrophobicContact CG-CB 4.14Å; P1351-A1354 WeakPolarHBondContact O-CB 3.27Å; P1351-A1354 PolarHBondContact O-N 3.36Å; K1352-A1354 PolarHBondContact O-N 2.93Å; K1352-A1354 VanDerWaalsContact O-N 3.11Å; A1354-I1358 WeakPolarHBondContact O-CB 3.35Å; A1354-I1358 VanDerWaalsContact O-CD1 3.3Å; A1354-I1358 WeakPolarHBondContact O-CD1 3.38Å; A1354-I1358 WeakPolarHBondContact O-CG1 3.15Å; A1354-I1358 PolarHBondContact O-N 3.48Å
1355N39.8Very low43.9Very low88 Ų88117.5 Ų117.547%0.47157%0.571SS.*Hα-helixtrans-72.1-35.8175.1-71.9-7.8000111.5K1352 I1358 R1359K1352-N1355 WeakPolarHBondContact O-CA 3.41Å; K1352-N1355 WeakPolarHBondContact O-CB 3.17Å; K1352-N1355 PolarHBondContact O-N 2.89Å; N1355-I1358 PolarHBondContact O-N 2.94Å; N1355-R1359 VanDerWaalsContact O-CB 3.26Å; N1355-R1359 WeakPolarHBondContact O-CB 3.37Å; N1355-R1359 PolarHBondContact O-N 3.33Å
1356D38Very low46.4Very low82 Ų82112.5 Ų112.544%0.43955%0.546SS..Hα-helixtrans-70.9-35.7175.2-67-53.1000112K1352 A1353 R1359 R1360K1352-D1356 PolarHBondContact O-N 3.15Å; A1353-D1356 PolarHBondContact O-N 3.39Å; D1356-R1359 PolarHBondContact O-N 3.05Å; D1356-R1360 WeakPolarHBondContact O-CB 3.42Å; D1356-R1360 VanDerWaalsContact O-CG 3.28Å; D1356-R1360 WeakPolarHBondContact O-CG 3.23Å; D1356-R1360 PolarHBondContact O-N 3.43Å
1357L38.8Very low48.9Very low120 Ų120106.4 Ų106.463%0.62852%0.518SS*.Hα-helixtrans-63-47.5169.3-85.8161.7000112.2A1353 R1359 R1360 S1361A1353-L1357 WeakPolarHBondContact O-CB 3.23Å; A1353-L1357 WeakPolarHBondContact O-CG 3.29Å; A1353-L1357 PolarHBondContact O-N 3.36Å; L1357-R1359 VanDerWaalsContact C-N 3.28Å; L1357-R1359 PolarHBondContact O-N 2.82Å; L1357-R1360 PolarHBondContact O-N 2.71Å; L1357-R1360 VanDerWaalsContact O-N 3.16Å; L1357-S1361 PolarHBondContact O-N 3.28Å
1358I33.9Very low51.4Low74 Ų74102 Ų10238%0.37949%0.492SS..Hα-helixtrans-62.2-36.7176.2-70.4164000111.2R1350 A1354 N1355 S1361 S1362R1350-I1358 VanDerWaalsContact NH1-CD1 3.33Å; A1354-I1358 WeakPolarHBondContact O-CB 3.35Å; A1354-I1358 VanDerWaalsContact O-CD1 3.3Å; A1354-I1358 WeakPolarHBondContact O-CD1 3.38Å; A1354-I1358 WeakPolarHBondContact O-CG1 3.15Å; A1354-I1358 PolarHBondContact O-N 3.48Å; N1355-I1358 PolarHBondContact O-N 2.94Å; I1358-S1361 PolarHBondContact O-N 3.39Å; I1358-S1361 PolarHBondContact O-OG 3.2Å; I1358-S1362 WeakPolarHBondContact O-CB 3.46Å; I1358-S1362 PolarHBondContact O-N 2.94Å; I1358-S1362 PolarHBondContact O-OG 3.06Å
1359R44.2Very low53.6Low158 Ų15898.6 Ų98.660%0.59648%0.477SS*.Hα-helixtrans-71.3-31.7175.8-168.8178.5-171.7-169.83112.7N1355 D1356 L1357 S1362 Q1363N1355-R1359 VanDerWaalsContact O-CB 3.26Å; N1355-R1359 WeakPolarHBondContact O-CB 3.37Å; N1355-R1359 PolarHBondContact O-N 3.33Å; D1356-R1359 PolarHBondContact O-N 3.05Å; L1357-R1359 VanDerWaalsContact C-N 3.28Å; L1357-R1359 PolarHBondContact O-N 2.82Å; R1359-S1362 PolarHBondContact O-OG 2.85Å; R1359-Q1363 WeakPolarHBondContact O-CB 3.45Å; R1359-Q1363 WeakPolarHBondContact O-CG 3.2Å; R1359-Q1363 PolarHBondContact O-N 2.67Å; R1359-Q1363 VanDerWaalsContact O-N 3.14Å
1360R52.4Low56.1Low186 Ų18689 Ų8970%0.70244%0.435SS*.Hα-helixtrans-73.4-38.5172.3-74.2175.8-173.8-150.13.7111.6D1356 L1357 R1364D1356-R1360 WeakPolarHBondContact O-CB 3.42Å; D1356-R1360 VanDerWaalsContact O-CG 3.28Å; D1356-R1360 WeakPolarHBondContact O-CG 3.23Å; D1356-R1360 PolarHBondContact O-N 3.43Å; L1357-R1360 PolarHBondContact O-N 2.71Å; L1357-R1360 VanDerWaalsContact O-N 3.16Å; R1360-R1364 WeakPolarHBondContact O-CB 3.37Å; R1360-R1364 PolarHBondContact O-N 2.78Å
1361S53.7Low58.6Low51 Ų5181.2 Ų81.236%0.35741%0.406SS..Hα-helixtrans-66.2-48.5175.389.50000110.7L1357 I1358 Q1363 R1364 E1365L1357-S1361 PolarHBondContact O-N 3.28Å; I1358-S1361 PolarHBondContact O-N 3.39Å; I1358-S1361 PolarHBondContact O-OG 3.2Å; S1361-Q1363 VanDerWaalsContact C-N 3.31Å; S1361-Q1363 PolarHBondContact O-N 2.95Å; S1361-R1364 CarbonylContact O-C 3.57Å; S1361-R1364 WeakPolarHBondContact O-CA 3.3Å; S1361-R1364 WeakPolarHBondContact O-CB 3.46Å; S1361-R1364 PolarHBondContact O-N 2.99Å; S1361-E1365 VanDerWaalsContact C-OE1 3.25Å; S1361-E1365 WeakPolarHBondContact CB-OE1 3.39Å; S1361-E1365 VanDerWaalsContact O-CG 3.27Å; S1361-E1365 WeakPolarHBondContact O-CG 3.24Å; S1361-E1365 PolarHBondContact O-N 3.2Å; S1361-E1365 PolarHBondContact OG-OE1 2.68Å
1362S60.3Low60.9Low50 Ų5082.8 Ų82.835%0.3540%0.4SS..Hα-helixtrans-63.1-35.7178.273.20000112.8I1358 R1359 E1365 T1366I1358-S1362 WeakPolarHBondContact O-CB 3.46Å; I1358-S1362 PolarHBondContact O-N 2.94Å; I1358-S1362 PolarHBondContact O-OG 3.06Å; R1359-S1362 PolarHBondContact O-OG 2.85Å; S1362-E1365 PolarHBondContact O-N 3.14Å; S1362-T1366 WeakPolarHBondContact O-CG2 3.43Å; S1362-T1366 PolarHBondContact O-N 2.92Å; S1362-T1366 PolarHBondContact O-OG1 3.49Å
1363Q67.1Low62.7Low85 Ų8575.9 Ų75.940%0.39737%0.371SS..Hα-helixtrans-64.1-39.9172-80.2177.5-8.700112.4R1359 S1361 T1366 L1367R1359-Q1363 WeakPolarHBondContact O-CB 3.45Å; R1359-Q1363 WeakPolarHBondContact O-CG 3.2Å; R1359-Q1363 PolarHBondContact O-N 2.67Å; R1359-Q1363 VanDerWaalsContact O-N 3.14Å; S1361-Q1363 VanDerWaalsContact C-N 3.31Å; S1361-Q1363 PolarHBondContact O-N 2.95Å; Q1363-T1366 WeakPolarHBondContact CA-OG1 3.5Å; Q1363-T1366 PolarHBondContact O-OG1 2.89Å; Q1363-L1367 WeakPolarHBondContact O-CB 3.43Å; Q1363-L1367 PolarHBondContact O-N 3.1Å
1364R75Confident64.7Low134 Ų13472.9 Ų72.951%0.50635%0.345SS..Hα-helixtrans-66.8-45.3174.7-177.2176.4174.7170.92.1112R1360 S1361 T1366 L1367 E1368R1360-R1364 WeakPolarHBondContact O-CB 3.37Å; R1360-R1364 PolarHBondContact O-N 2.78Å; S1361-R1364 CarbonylContact O-C 3.57Å; S1361-R1364 WeakPolarHBondContact O-CA 3.3Å; S1361-R1364 WeakPolarHBondContact O-CB 3.46Å; S1361-R1364 PolarHBondContact O-N 2.99Å; R1364-T1366 PolarHBondContact O-N 3.11Å; R1364-L1367 WeakPolarHBondContact O-CB 3.42Å; R1364-L1367 PolarHBondContact O-N 3.01Å; R1364-L1367 VanDerWaalsContact O-N 3.14Å; R1364-E1368 HydrophobicContact CG-CG 4.47Å; R1364-E1368 IonicContact CZ-OE1 3.13Å; R1364-E1368 VanDerWaalsContact CZ-OE1 3.23Å; R1364-E1368 IonicContact NE-OE1 2.71Å; R1364-E1368 PolarHBondContact NE-OE1 3.49Å; R1364-E1368 IonicContact NH2-OE1 2.69Å; R1364-E1368 PolarHBondContact NH2-OE1 3.14Å; R1364-E1368 WeakPolarHBondContact O-CB 3.31Å; R1364-E1368 WeakPolarHBondContact O-CG 3.43Å; R1364-E1368 PolarHBondContact O-N 3.3Å
1365E75.8Confident66.9Low114 Ų11475 Ų7553%0.53335%0.351SS..Hα-helixtrans-58.2-45.2175.7-67.9154.8-140.600110.9S1361 S1362 L1367 E1368 E1369S1361-E1365 VanDerWaalsContact C-OE1 3.25Å; S1361-E1365 WeakPolarHBondContact CB-OE1 3.39Å; S1361-E1365 VanDerWaalsContact O-CG 3.27Å; S1361-E1365 WeakPolarHBondContact O-CG 3.24Å; S1361-E1365 PolarHBondContact O-N 3.2Å; S1361-E1365 PolarHBondContact OG-OE1 2.68Å; S1362-E1365 PolarHBondContact O-N 3.14Å; E1365-L1367 PolarHBondContact O-N 2.83Å; E1365-E1368 PolarHBondContact O-N 3.07Å; E1365-E1369 PolarHBondContact O-N 3.22Å
1366T82.2Confident68.7Low51 Ų5174.9 Ų74.931%0.31335%0.348SS..Hα-helixtrans-68.8-28.9175.754.50000114.2S1362 Q1363 R1364 A1370 Y1395S1362-T1366 WeakPolarHBondContact O-CG2 3.43Å; S1362-T1366 PolarHBondContact O-N 2.92Å; S1362-T1366 PolarHBondContact O-OG1 3.49Å; Q1363-T1366 WeakPolarHBondContact CA-OG1 3.5Å; Q1363-T1366 PolarHBondContact O-OG1 2.89Å; R1364-T1366 PolarHBondContact O-N 3.11Å; T1366-A1370 VanDerWaalsContact O-CB 3.26Å; T1366-A1370 WeakPolarHBondContact O-CB 3.21Å; T1366-A1370 PolarHBondContact O-N 3.19Å; T1366-Y1395 PolarHBondContact OG1-OH 2.98Å
1367L83.4Confident70Confident17 Ų1772.4 Ų72.49%0.08934%0.337CS..Hα-helixtrans-70.9-42.9172.9174.564.7000110.8Q1363 R1364 E1365 E1369 A1370 L1371 Y1395 V1396 F1417 L1420Q1363-L1367 WeakPolarHBondContact O-CB 3.43Å; Q1363-L1367 PolarHBondContact O-N 3.1Å; R1364-L1367 WeakPolarHBondContact O-CB 3.42Å; R1364-L1367 PolarHBondContact O-N 3.01Å; R1364-L1367 VanDerWaalsContact O-N 3.14Å; E1365-L1367 PolarHBondContact O-N 2.83Å; L1367-E1369 VanDerWaalsContact C-N 3.34Å; L1367-E1369 PolarHBondContact O-N 3.21Å; L1367-A1370 PolarHBondContact O-N 3.35Å; L1367-L1371 HydrophobicContact CD1-CD1 4.12Å; L1367-L1371 HydrophobicContact CD1-CG 4.14Å; L1367-L1371 HydrophobicContact CG-CD1 4.03Å; L1367-L1371 HydrophobicContact CG-CG 4.47Å; L1367-L1371 WeakPolarHBondContact O-CB 3.29Å; L1367-L1371 WeakPolarHBondContact O-CG 3.38Å; L1367-L1371 PolarHBondContact O-N 2.93Å; L1367-Y1395 HydrophobicContact CB-CE1 4.3Å; L1367-V1396 HydrophobicContact CD1-CG2 4.29Å; L1367-F1417 HydrophobicContact CD1-CE2 3.98Å; L1367-F1417 HydrophobicContact CD1-CZ 4.04Å; L1367-F1417 HydrophobicContact CD2-CD2 4.02Å; L1367-F1417 HydrophobicContact CD2-CE2 3.51Å; L1367-F1417 HydrophobicContact CD2-CZ 4.29Å; L1367-F1417 HydrophobicContact CG-CE2 4.39Å; L1367-L1420 HydrophobicContact CD2-CD2 4.16Å
1368E82.7Confident71Confident56 Ų5670.6 Ų70.626%0.26233%0.334SS..Hα-helixtrans-68.6-30.8-180-75175.7-176.900112.3R1364 E1365 R1372 L1420 R1424R1364-E1368 HydrophobicContact CG-CG 4.47Å; R1364-E1368 IonicContact CZ-OE1 3.13Å; R1364-E1368 VanDerWaalsContact CZ-OE1 3.23Å; R1364-E1368 IonicContact NE-OE1 2.71Å; R1364-E1368 PolarHBondContact NE-OE1 3.49Å; R1364-E1368 IonicContact NH2-OE1 2.69Å; R1364-E1368 PolarHBondContact NH2-OE1 3.14Å; R1364-E1368 WeakPolarHBondContact O-CB 3.31Å; R1364-E1368 WeakPolarHBondContact O-CG 3.43Å; R1364-E1368 PolarHBondContact O-N 3.3Å; E1365-E1368 PolarHBondContact O-N 3.07Å; E1368-R1372 WeakPolarHBondContact O-CB 3.34Å; E1368-R1372 PolarHBondContact O-N 2.76Å; E1368-L1420 HydrophobicContact CG-CD1 4.46Å; E1368-L1420 HydrophobicContact CG-CD2 4.32Å; E1368-R1424 PolarHBondContact O-NH1 3.22Å; E1368-R1424 PolarHBondContact O-NH2 3.46Å
1369E83Confident72Confident82 Ų8275 Ų7538%0.38335%0.353SS..Hα-helixtrans-74.3-41168.6-173.672.6165.900112E1365 L1367 L1371 R1372 L1373E1365-E1369 PolarHBondContact O-N 3.22Å; L1367-E1369 VanDerWaalsContact C-N 3.34Å; L1367-E1369 PolarHBondContact O-N 3.21Å; E1369-L1371 PolarHBondContact O-N 3.1Å; E1369-R1372 WeakPolarHBondContact O-CB 3.49Å; E1369-R1372 PolarHBondContact O-N 2.85Å; E1369-L1373 HydrophobicContact CG-CD1 4.26Å; E1369-L1373 WeakPolarHBondContact O-CG 3.38Å; E1369-L1373 PolarHBondContact O-N 2.85Å
1370A84.7Confident72Confident0 Ų072.8 Ų72.80%036%0.357CS..Hα-helixtrans-63.9-41.3177.300000112.4T1366 L1367 R1372 L1373 L1374 W1391 A1392 Y1395 V1396T1366-A1370 VanDerWaalsContact O-CB 3.26Å; T1366-A1370 WeakPolarHBondContact O-CB 3.21Å; T1366-A1370 PolarHBondContact O-N 3.19Å; L1367-A1370 PolarHBondContact O-N 3.35Å; A1370-R1372 VanDerWaalsContact C-N 3.34Å; A1370-L1373 PolarHBondContact O-N 2.94Å; A1370-L1374 PolarHBondContact O-N 3.29Å; A1370-W1391 HydrophobicContact CB-CH2 4.16Å; A1370-W1391 HydrophobicContact CB-CZ3 3.93Å; A1370-A1392 HydrophobicContact CB-CB 4.34Å; A1370-Y1395 HydrophobicContact CB-CD1 3.92Å; A1370-V1396 HydrophobicContact CB-CG2 3.86Å
1371L85Confident71.4Confident0 Ų070.1 Ų70.10%036%0.361CS..Hα-helixtrans-62.7-40.7173.8-72.2170.4000111.6L1367 E1369 L1373 L1374 E1375 V1396 V1421 L1428 V1432L1367-L1371 HydrophobicContact CD1-CD1 4.12Å; L1367-L1371 HydrophobicContact CD1-CG 4.14Å; L1367-L1371 HydrophobicContact CG-CD1 4.03Å; L1367-L1371 HydrophobicContact CG-CG 4.47Å; L1367-L1371 WeakPolarHBondContact O-CB 3.29Å; L1367-L1371 WeakPolarHBondContact O-CG 3.38Å; L1367-L1371 PolarHBondContact O-N 2.93Å; E1369-L1371 PolarHBondContact O-N 3.1Å; L1371-L1373 VanDerWaalsContact C-N 3.35Å; L1371-L1373 PolarHBondContact O-N 2.98Å; L1371-L1374 PolarHBondContact O-N 3.29Å; L1371-E1375 WeakPolarHBondContact O-CB 3.46Å; L1371-E1375 PolarHBondContact O-N 3.46Å; L1371-V1396 HydrophobicContact CD2-CG1 4.03Å; L1371-V1396 HydrophobicContact CD2-CG2 3.97Å; L1371-V1396 HydrophobicContact CG-CG2 4.27Å; L1371-V1421 HydrophobicContact CD1-CG2 4.1Å; L1371-V1421 HydrophobicContact CD2-CG2 4.01Å; L1371-L1428 HydrophobicContact CB-CD2 4.28Å; L1371-L1428 HydrophobicContact CD2-CD2 4.1Å; L1371-V1432 HydrophobicContact CD2-CG2 4.21Å
1372R83Confident70.8Confident126 Ų12671.9 Ų71.948%0.47538%0.379SS..Hα-helixtrans-59.7-43.1175.9-178.7-169.5173.3115.622112E1368 E1369 A1370 L1374 E1375 E1376E1368-R1372 WeakPolarHBondContact O-CB 3.34Å; E1368-R1372 PolarHBondContact O-N 2.76Å; E1369-R1372 WeakPolarHBondContact O-CB 3.49Å; E1369-R1372 PolarHBondContact O-N 2.85Å; A1370-R1372 VanDerWaalsContact C-N 3.34Å; R1372-L1374 PolarHBondContact O-N 3.22Å; R1372-E1375 WeakPolarHBondContact O-CB 3.21Å; R1372-E1375 PolarHBondContact O-N 3.01Å; R1372-E1376 HydrophobicContact CG-CG 4.42Å; R1372-E1376 IonicContact CZ-OE1 3.73Å; R1372-E1376 IonicContact NE-OE1 2.6Å; R1372-E1376 PolarHBondContact NE-OE1 3.28Å; R1372-E1376 IonicContact NH2-OE1 3.76Å; R1372-E1376 PolarHBondContact NH2-OE1 3.17Å; R1372-E1376 WeakPolarHBondContact O-CG 3.48Å; R1372-E1376 PolarHBondContact O-N 2.85Å
1373L81.7Confident70Confident28 Ų2876.9 Ų76.915%0.14740%0.402CS..Hα-helixtrans-67.5-24.1179.2-70.1163.9000113.1E1369 A1370 L1371 S1377 L1388 W1391 A1392E1369-L1373 HydrophobicContact CG-CD1 4.26Å; E1369-L1373 WeakPolarHBondContact O-CG 3.38Å; E1369-L1373 PolarHBondContact O-N 2.85Å; A1370-L1373 PolarHBondContact O-N 2.94Å; L1371-L1373 VanDerWaalsContact C-N 3.35Å; L1371-L1373 PolarHBondContact O-N 2.98Å; L1373-S1377 WeakPolarHBondContact O-CB 3.36Å; L1373-L1388 HydrophobicContact CD1-CD1 3.94Å; L1373-L1388 HydrophobicContact CD1-CD2 4.22Å; L1373-L1388 HydrophobicContact CD1-CG 3.91Å; L1373-L1388 HydrophobicContact CD2-CD2 3.75Å; L1373-L1388 HydrophobicContact CD2-CG 4.14Å; L1373-W1391 HydrophobicContact CD1-CE3 4.41Å; L1373-W1391 HydrophobicContact CD1-CZ3 4.09Å; L1373-A1392 HydrophobicContact CB-CB 3.94Å
1374L80.2Confident69.3Low2 Ų278.1 Ų78.11%0.0142%0.42CS..Hα-helixtrans-79.3-40.5170.8-63.5178.9000111.7A1370 L1371 R1372 S1377 S1378 Q1389 A1392 R1393 V1396 L1428A1370-L1374 PolarHBondContact O-N 3.29Å; L1371-L1374 PolarHBondContact O-N 3.29Å; R1372-L1374 PolarHBondContact O-N 3.22Å; L1374-S1377 PolarHBondContact O-N 3.2Å; L1374-S1377 PolarHBondContact O-OG 3.49Å; L1374-S1378 PolarHBondContact O-N 3.29Å; L1374-Q1389 HydrophobicContact CD2-CG 4.42Å; L1374-A1392 HydrophobicContact CD2-CB 3.97Å; L1374-A1392 HydrophobicContact CG-CB 4.07Å; L1374-R1393 HydrophobicContact CD2-CB 4.44Å; L1374-R1393 HydrophobicContact CD2-CG 3.56Å; L1374-V1396 HydrophobicContact CD1-CB 4.11Å; L1374-V1396 HydrophobicContact CD1-CG1 4.38Å; L1374-V1396 HydrophobicContact CD1-CG2 3.86Å; L1374-L1428 HydrophobicContact CB-CD1 3.55Å; L1374-L1428 HydrophobicContact CD1-CD1 4.16Å
1375E80.3Confident68.3Low70 Ų7077.7 Ų77.733%0.32743%0.432SS..Hα-helixtrans-57.6-55.7175.8-161.9-178144.900111.4L1371 R1372 S1377 S1378 R1424 L1428L1371-E1375 WeakPolarHBondContact O-CB 3.46Å; L1371-E1375 PolarHBondContact O-N 3.46Å; R1372-E1375 WeakPolarHBondContact O-CB 3.21Å; R1372-E1375 PolarHBondContact O-N 3.01Å; E1375-S1377 PolarHBondContact O-N 3.04Å; E1375-S1377 VanDerWaalsContact O-N 3.12Å; E1375-S1378 WeakPolarHBondContact O-CB 3.41Å; E1375-S1378 PolarHBondContact O-N 3.46Å; E1375-S1378 PolarHBondContact O-OG 2.97Å; E1375-R1424 IonicContact OE2-CZ 2.94Å; E1375-R1424 IonicContact OE2-NH1 2.86Å; E1375-R1424 PolarHBondContact OE2-NH1 2.74Å; E1375-L1428 HydrophobicContact CB-CD2 4.38Å
1376E77.7Confident68.2Low87 Ų8776.8 Ų76.841%0.40743%0.431SS..G310 helixtrans-57.1-28.8175.8-70.6178.517900112.2R1372 S1378R1372-E1376 HydrophobicContact CG-CG 4.42Å; R1372-E1376 IonicContact CZ-OE1 3.73Å; R1372-E1376 IonicContact NE-OE1 2.6Å; R1372-E1376 PolarHBondContact NE-OE1 3.28Å; R1372-E1376 IonicContact NH2-OE1 3.76Å; R1372-E1376 PolarHBondContact NH2-OE1 3.17Å; R1372-E1376 WeakPolarHBondContact O-CG 3.48Å; R1372-E1376 PolarHBondContact O-N 2.85Å; E1376-S1378 VanDerWaalsContact C-N 3.31Å; E1376-S1378 PolarHBondContact O-N 2.82Å
1377S65Low68.1Low30 Ų3079.5 Ų79.521%0.2144%0.44CS..G310 helixtrans-82-2.3179.781.60000115.3L1373 L1374 E1375 Q1389L1373-S1377 WeakPolarHBondContact O-CB 3.36Å; L1374-S1377 PolarHBondContact O-N 3.2Å; L1374-S1377 PolarHBondContact O-OG 3.49Å; E1375-S1377 PolarHBondContact O-N 3.04Å; E1375-S1377 VanDerWaalsContact O-N 3.12Å; S1377-Q1389 PolarHBondContact OG-NE2 3.45Å
1378S59.7Low67.9Low81 Ų8180.7 Ų80.757%0.56645%0.446SS*.G310 helixtrans-82.1-20.9172.268.40000113.3L1374 E1375 E1376L1374-S1378 PolarHBondContact O-N 3.29Å; E1375-S1378 WeakPolarHBondContact O-CB 3.41Å; E1375-S1378 PolarHBondContact O-N 3.46Å; E1375-S1378 PolarHBondContact O-OG 2.97Å; E1376-S1378 VanDerWaalsContact C-N 3.31Å; E1376-S1378 PolarHBondContact O-N 2.82Å
1379E55.2Low67.9Low167 Ų16780.1 Ų80.178%0.7844%0.443SS*.THydrogen-bonded Turntrans-92.9-25.3178.9-58.2-171.2150.600113.3T1381E1379-T1381 PolarHBondContact O-N 3.47Å
1380V43.8Very low67.9Low112 Ų11279.4 Ų79.468%0.67944%0.44SS*.  trans-91.1103.2-171.1-177.90000111.6A1382V1380-A1382 PolarHBondContact O-N 2.82Å
1381T39.3Very low68.1Low129 Ų12981.3 Ų81.379%0.79145%0.447SS*.  trans-67.4118.8171.954.90000111.7E1379E1379-T1381 PolarHBondContact O-N 3.47Å
1382A40.7Very low68.3Low89 Ų8981.3 Ų81.374%0.73645%0.447SS*.SBendtrans23.496.7155.600000118.1V1380V1380-A1382 PolarHBondContact O-N 2.82Å
1383D45.2Very low68.5Low154 Ų15479.4 Ų79.482%0.82444%0.44SS*.SBend-162.4136.9126.8-107.4-25000111.5
1384S51.7Low68.7Low111 Ų11183.1 Ų83.178%0.77646%0.456SS*.SBendtrans65.7139.4-169.577.90000116.7D1386S1384-D1386 PolarHBondContact O-N 3.21Å
1385V54.7Low69.1Low126 Ų12685 Ų8576%0.76446%0.464SS*.  trans-85.599.8174.7179.40000108.6E1387V1385-E1387 PolarHBondContact O-N 2.92Å
1386D73.2Confident69.5Low95 Ų9581.7 Ų81.751%0.50845%0.448SS..  trans-70.1114.3-178.5-133-29.2000110.4S1384 L1388 Q1389 E1390S1384-D1386 PolarHBondContact O-N 3.21Å; D1386-L1388 PolarHBondContact O-N 3.01Å; D1386-Q1389 HydrophobicContact CB-CB 4.36Å; D1386-Q1389 WeakPolarHBondContact O-CB 3.43Å; D1386-Q1389 PolarHBondContact O-N 2.89Å; D1386-E1390 PolarHBondContact O-N 2.81Å
1387E80.3Confident70.1Confident108 Ų10880.7 Ų80.751%0.50544%0.441SS..Hα-helixtrans-57.2-19.7179.7-62.3-168.9-176.300112.5K1224 H1227 V1385 W1391K1224-E1387 IonicContact NZ-OE1 2.8Å; K1224-E1387 PolarHBondContact NZ-OE1 2.88Å; K1224-E1387 IonicContact NZ-OE2 2.85Å; K1224-E1387 PolarHBondContact NZ-OE2 3.47Å; H1227-E1387 IonicContact CE1-OE2 2.66Å; H1227-E1387 PolarHBondContact CE1-OE2 2.75Å; V1385-E1387 PolarHBondContact O-N 2.92Å; E1387-W1391 WeakPolarHBondContact O-CB 3.27Å; E1387-W1391 PolarHBondContact O-N 3.29Å; E1387-W1391 VanDerWaalsContact O-N 3.15Å
1388L79.8Confident71.2Confident41 Ų4184.9 Ų84.922%0.21546%0.457CS..Hα-helixtrans-75.4-35.7175.6-173.761.5000113I1231 L1373 D1386 W1391 A1392I1231-L1388 HydrophobicContact CD1-CD1 3.78Å; I1231-L1388 HydrophobicContact CG1-CD1 4.15Å; L1373-L1388 HydrophobicContact CD1-CD1 3.94Å; L1373-L1388 HydrophobicContact CD1-CD2 4.22Å; L1373-L1388 HydrophobicContact CD1-CG 3.91Å; L1373-L1388 HydrophobicContact CD2-CD2 3.75Å; L1373-L1388 HydrophobicContact CD2-CG 4.14Å; D1386-L1388 PolarHBondContact O-N 3.01Å; L1388-W1391 HydrophobicContact CD1-CE3 4.16Å; L1388-W1391 PolarHBondContact O-N 3.2Å; L1388-A1392 WeakPolarHBondContact O-CB 3.46Å; L1388-A1392 PolarHBondContact O-N 3.42Å
1389Q81.9Confident72.5Confident45 Ų4582.4 Ų82.421%0.2144%0.438CS..Hα-helixtrans-68.3-41.5176.1-166.6-163.828.400110.2L1374 S1377 D1386 A1392 R1393L1374-Q1389 HydrophobicContact CD2-CG 4.42Å; S1377-Q1389 PolarHBondContact OG-NE2 3.45Å; D1386-Q1389 HydrophobicContact CB-CB 4.36Å; D1386-Q1389 WeakPolarHBondContact O-CB 3.43Å; D1386-Q1389 PolarHBondContact O-N 2.89Å; Q1389-A1392 WeakPolarHBondContact O-CB 3.31Å; Q1389-A1392 PolarHBondContact O-N 3.43Å; Q1389-R1393 WeakPolarHBondContact O-CG 3.24Å; Q1389-R1393 PolarHBondContact O-N 2.99Å
1390E83.9Confident74.3Confident66 Ų6674.4 Ų74.431%0.30840%0.401SS..Hα-helixtrans-70.1-35.7177.4-164.657.3-147.500112D1386 A1392 R1393 H1394D1386-E1390 PolarHBondContact O-N 2.81Å; E1390-A1392 VanDerWaalsContact C-N 3.32Å; E1390-A1392 PolarHBondContact O-N 3.15Å; E1390-R1393 PolarHBondContact O-N 3.09Å; E1390-R1393 WeakPolarHBondContact OE2-CD 3.4Å; E1390-R1393 IonicContact OE2-CZ 3.16Å; E1390-R1393 IonicContact OE2-NE 3.22Å; E1390-R1393 IonicContact OE2-NH1 2.92Å; E1390-R1393 PolarHBondContact OE2-NH1 2.83Å; E1390-H1394 WeakPolarHBondContact O-CB 3.49Å; E1390-H1394 PolarHBondContact O-N 3.44Å; E1390-H1394 IonicContact OE1-CE1 2.86Å; E1390-H1394 PolarHBondContact OE1-CE1 2.92Å; E1390-H1394 VanDerWaalsContact OE1-CE1 3.24Å; E1390-H1394 IonicContact OE1-ND1 2.74Å; E1390-H1394 IonicContact OE1-NE2 2.59Å
1391W88.8Confident76.4Confident40 Ų4070.4 Ų70.415%0.15238%0.375CS..Hα-helixtrans-57.9-44.7167.5172.984.7000111.7I1231 A1370 L1373 E1387 L1388 H1394 Y1395I1231-W1391 HydrophobicContact CD1-CB 4.25Å; I1231-W1391 HydrophobicContact CD1-CD2 3.64Å; I1231-W1391 HydrophobicContact CD1-CE3 4.14Å; I1231-W1391 HydrophobicContact CD1-CG 3.64Å; A1370-W1391 HydrophobicContact CB-CH2 4.16Å; A1370-W1391 HydrophobicContact CB-CZ3 3.93Å; L1373-W1391 HydrophobicContact CD1-CE3 4.41Å; L1373-W1391 HydrophobicContact CD1-CZ3 4.09Å; E1387-W1391 WeakPolarHBondContact O-CB 3.27Å; E1387-W1391 PolarHBondContact O-N 3.29Å; E1387-W1391 VanDerWaalsContact O-N 3.15Å; L1388-W1391 HydrophobicContact CD1-CE3 4.16Å; L1388-W1391 PolarHBondContact O-N 3.2Å; W1391-H1394 PolarHBondContact O-N 3.02Å; W1391-Y1395 HydrophobicContact CH2-CG 4.5Å; W1391-Y1395 HydrophobicContact CZ2-CD2 4.1Å; W1391-Y1395 HydrophobicContact CZ2-CG 4.2Å; W1391-Y1395 WeakPolarHBondContact O-CB 3.5Å; W1391-Y1395 PolarHBondContact O-N 3.46Å
1392A87.8Confident78.7Confident0 Ų069.1 Ų69.10%036%0.359CS..Hα-helixtrans-63.8-45.1178.700000111.8A1370 L1373 L1374 L1388 Q1389 E1390 Y1395 V1396A1370-A1392 HydrophobicContact CB-CB 4.34Å; L1373-A1392 HydrophobicContact CB-CB 3.94Å; L1374-A1392 HydrophobicContact CD2-CB 3.97Å; L1374-A1392 HydrophobicContact CG-CB 4.07Å; L1388-A1392 WeakPolarHBondContact O-CB 3.46Å; L1388-A1392 PolarHBondContact O-N 3.42Å; Q1389-A1392 WeakPolarHBondContact O-CB 3.31Å; Q1389-A1392 PolarHBondContact O-N 3.43Å; E1390-A1392 VanDerWaalsContact C-N 3.32Å; E1390-A1392 PolarHBondContact O-N 3.15Å; A1392-Y1395 PolarHBondContact O-N 2.88Å; A1392-V1396 WeakPolarHBondContact O-CB 3.45Å; A1392-V1396 WeakPolarHBondContact O-CG2 3.46Å; A1392-V1396 PolarHBondContact O-N 3.49Å
1393R87.5Confident80.8Confident87 Ų8766 Ų6633%0.32833%0.333SS..Hα-helixtrans-57.2-51.8173.7-70.7-174.9-169124.91.8111.4L1374 Q1389 E1390 Y1395 V1396 R1397L1374-R1393 HydrophobicContact CD2-CB 4.44Å; L1374-R1393 HydrophobicContact CD2-CG 3.56Å; Q1389-R1393 WeakPolarHBondContact O-CG 3.24Å; Q1389-R1393 PolarHBondContact O-N 2.99Å; E1390-R1393 PolarHBondContact O-N 3.09Å; E1390-R1393 WeakPolarHBondContact OE2-CD 3.4Å; E1390-R1393 IonicContact OE2-CZ 3.16Å; E1390-R1393 IonicContact OE2-NE 3.22Å; E1390-R1393 IonicContact OE2-NH1 2.92Å; E1390-R1393 PolarHBondContact OE2-NH1 2.83Å; R1393-Y1395 PolarHBondContact O-N 3.41Å; R1393-V1396 PolarHBondContact O-N 3.25Å; R1393-R1397 WeakPolarHBondContact O-CB 3.25Å; R1393-R1397 PolarHBondContact O-N 3.37Å
1394H86.1Confident82.9Confident106 Ų10658.7 Ų58.749%0.49129%0.294SS..Hα-helixtrans-62.3-40179-77-20.8000112.8E1390 W1391 H1398E1390-H1394 WeakPolarHBondContact O-CB 3.49Å; E1390-H1394 PolarHBondContact O-N 3.44Å; E1390-H1394 IonicContact OE1-CE1 2.86Å; E1390-H1394 PolarHBondContact OE1-CE1 2.92Å; E1390-H1394 VanDerWaalsContact OE1-CE1 3.24Å; E1390-H1394 IonicContact OE1-ND1 2.74Å; E1390-H1394 IonicContact OE1-NE2 2.59Å; W1391-H1394 PolarHBondContact O-N 3.02Å; H1394-H1398 WeakPolarHBondContact O-CB 3.49Å; H1394-H1398 PolarHBondContact O-N 3.35Å
1395Y88.7Confident84.6Confident42 Ų4254.1 Ų54.117%0.16526%0.263CS..Hα-helixtrans-66-50.4178.3-169.2-93.1000111.2T1366 L1367 A1370 W1391 A1392 R1393 H1398 T1399T1366-Y1395 PolarHBondContact OG1-OH 2.98Å; L1367-Y1395 HydrophobicContact CB-CE1 4.3Å; A1370-Y1395 HydrophobicContact CB-CD1 3.92Å; W1391-Y1395 HydrophobicContact CH2-CG 4.5Å; W1391-Y1395 HydrophobicContact CZ2-CD2 4.1Å; W1391-Y1395 HydrophobicContact CZ2-CG 4.2Å; W1391-Y1395 WeakPolarHBondContact O-CB 3.5Å; W1391-Y1395 PolarHBondContact O-N 3.46Å; A1392-Y1395 PolarHBondContact O-N 2.88Å; R1393-Y1395 PolarHBondContact O-N 3.41Å; Y1395-H1398 PolarHBondContact O-N 3.22Å; Y1395-T1399 HydrophobicContact CD1-CG2 4.04Å; Y1395-T1399 HydrophobicContact CE1-CG2 3.64Å; Y1395-T1399 PolarHBondContact O-N 3.44Å; Y1395-T1399 PolarHBondContact O-OG1 3.49Å; Y1395-T1399 VanDerWaalsContact O-OG1 3.13Å
1396V88.4Confident86.1Confident0 Ų054.1 Ų54.10%025%0.249CC..Hα-helixtrans-60.9-47.4178175.20000110.4L1367 A1370 L1371 L1374 A1392 R1393 H1398 T1399 W1400 V1432 I1435L1367-V1396 HydrophobicContact CD1-CG2 4.29Å; A1370-V1396 HydrophobicContact CB-CG2 3.86Å; L1371-V1396 HydrophobicContact CD2-CG1 4.03Å; L1371-V1396 HydrophobicContact CD2-CG2 3.97Å; L1371-V1396 HydrophobicContact CG-CG2 4.27Å; L1374-V1396 HydrophobicContact CD1-CB 4.11Å; L1374-V1396 HydrophobicContact CD1-CG1 4.38Å; L1374-V1396 HydrophobicContact CD1-CG2 3.86Å; A1392-V1396 WeakPolarHBondContact O-CB 3.45Å; A1392-V1396 WeakPolarHBondContact O-CG2 3.46Å; A1392-V1396 PolarHBondContact O-N 3.49Å; R1393-V1396 PolarHBondContact O-N 3.25Å; V1396-H1398 PolarHBondContact O-N 3.32Å; V1396-T1399 WeakPolarHBondContact CA-OG1 3.45Å; V1396-T1399 PolarHBondContact O-N 3.02Å; V1396-T1399 VanDerWaalsContact O-N 3.16Å; V1396-T1399 PolarHBondContact O-OG1 3.06Å; V1396-W1400 VanDerWaalsContact O-CB 3.23Å; V1396-W1400 WeakPolarHBondContact O-CB 3.42Å; V1396-W1400 PolarHBondContact O-N 2.64Å; V1396-V1432 HydrophobicContact CG1-CG1 4Å; V1396-V1432 HydrophobicContact CG1-CG2 3.79Å; V1396-I1435 HydrophobicContact CG1-CD1 4.13Å
1397R89.7Confident86.5Confident66 Ų6658.7 Ų58.725%0.24926%0.26CS..Hα-helixtrans-50.2-51.7172.4172.7161.5154142.9-14.1112.5R1393 L1401 I1435 S1436 D1437R1393-R1397 WeakPolarHBondContact O-CB 3.25Å; R1393-R1397 PolarHBondContact O-N 3.37Å; R1397-L1401 HydrophobicContact CG-CD1 4.02Å; R1397-L1401 WeakPolarHBondContact O-CB 3.44Å; R1397-L1401 WeakPolarHBondContact O-CG 3.38Å; R1397-L1401 PolarHBondContact O-N 3.38Å; R1397-I1435 HydrophobicContact CB-CD1 4.29Å; R1397-I1435 HydrophobicContact CB-CG2 3.58Å; R1397-I1435 HydrophobicContact CG-CG2 3.45Å; R1397-I1435 VanDerWaalsContact CG-CG2 3.45Å; R1397-S1436 WeakPolarHBondContact CD-O 3.16Å; R1397-S1436 PolarHBondContact NE-O 3.45Å; R1397-S1436 PolarHBondContact NH1-O 2.71Å; R1397-D1437 VanDerWaalsContact CZ-C 3.48Å; R1397-D1437 VanDerWaalsContact CZ-O 3.22Å; R1397-D1437 PolarHBondContact NH1-O 2.87Å; R1397-D1437 PolarHBondContact NH2-O 2.68Å
1398H88.1Confident86.7Confident117 Ų11759.5 Ų59.554%0.54227%0.272SS..Hα-helixtrans-66.7-39.3179.4172-101.5000112.5H1394 Y1395 V1396 K1402H1394-H1398 WeakPolarHBondContact O-CB 3.49Å; H1394-H1398 PolarHBondContact O-N 3.35Å; Y1395-H1398 PolarHBondContact O-N 3.22Å; V1396-H1398 PolarHBondContact O-N 3.32Å; H1398-K1402 WeakPolarHBondContact O-CB 3.49Å; H1398-K1402 PolarHBondContact O-N 2.82Å; H1398-K1402 VanDerWaalsContact O-N 3.14Å
1399T88.1Confident87.1Confident29 Ų2958 Ų5818%0.17827%0.266CS..Hα-helixtrans-69.8-40.4176.652.50000113.3Y1395 V1396 A1403Y1395-T1399 HydrophobicContact CD1-CG2 4.04Å; Y1395-T1399 HydrophobicContact CE1-CG2 3.64Å; Y1395-T1399 PolarHBondContact O-N 3.44Å; Y1395-T1399 PolarHBondContact O-OG1 3.49Å; Y1395-T1399 VanDerWaalsContact O-OG1 3.13Å; V1396-T1399 WeakPolarHBondContact CA-OG1 3.45Å; V1396-T1399 PolarHBondContact O-N 3.02Å; V1396-T1399 VanDerWaalsContact O-N 3.16Å; V1396-T1399 PolarHBondContact O-OG1 3.06Å; T1399-A1403 PolarHBondContact O-N 2.72Å; T1399-A1403 VanDerWaalsContact O-N 3.11Å
1400W91.8Very high87.3Confident0 Ų060.4 Ų60.40%028%0.28CS..Hα-helixtrans-67.9-55.1-178.6173-128.8000111.5V1396 K1402 A1403 A1404 V1414 F1417 L1418 V1432 V1433 A1443 L1459V1396-W1400 VanDerWaalsContact O-CB 3.23Å; V1396-W1400 WeakPolarHBondContact O-CB 3.42Å; V1396-W1400 PolarHBondContact O-N 2.64Å; W1400-K1402 VanDerWaalsContact C-N 3.26Å; W1400-K1402 PolarHBondContact O-N 3.34Å; W1400-A1403 WeakPolarHBondContact O-CA 3.45Å; W1400-A1403 WeakPolarHBondContact O-CB 3.26Å; W1400-A1403 PolarHBondContact O-N 2.96Å; W1400-A1404 HydrophobicContact CE3-CB 4.35Å; W1400-A1404 HydrophobicContact CH2-CB 4.06Å; W1400-A1404 HydrophobicContact CZ2-CB 4.24Å; W1400-A1404 HydrophobicContact CZ3-CB 4.13Å; W1400-A1404 PolarHBondContact O-N 3.49Å; W1400-V1414 HydrophobicContact CH2-CG1 3.96Å; W1400-V1414 HydrophobicContact CZ3-CG1 4.02Å; W1400-F1417 HydrophobicContact CB-CE1 4.18Å; W1400-F1417 HydrophobicContact CB-CZ 4.07Å; W1400-F1417 HydrophobicContact CD2-CD1 4.43Å; W1400-F1417 HydrophobicContact CD2-CE1 4.12Å; W1400-F1417 AromaticContact CE3-CD1 3.4Å; W1400-F1417 HydrophobicContact CE3-CD1 3.4Å; W1400-F1417 AromaticContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CE1 3.47Å; W1400-F1417 VanDerWaalsContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CG 4.12Å; W1400-F1417 HydrophobicContact CE3-CZ 4.24Å; W1400-F1417 HydrophobicContact CG-CE1 4.43Å; W1400-F1417 AromaticContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CE1 4.2Å; W1400-F1417 HydrophobicContact CZ3-CG 4.32Å; W1400-L1418 HydrophobicContact CH2-CD1 4.4Å; W1400-L1418 HydrophobicContact CH2-CD2 3.56Å; W1400-L1418 HydrophobicContact CH2-CG 3.95Å; W1400-L1418 HydrophobicContact CZ2-CD2 4.25Å; W1400-L1418 HydrophobicContact CZ3-CD2 4.11Å; W1400-L1418 HydrophobicContact CZ3-CG 4.22Å; W1400-V1432 HydrophobicContact CB-CG1 4.42Å; W1400-V1432 HydrophobicContact CD2-CG1 4.32Å; W1400-V1432 HydrophobicContact CG-CG1 4.1Å; W1400-V1432 PolarHBondContact NE1-O 2.82Å; W1400-V1433 HydrophobicContact CZ2-CG2 4.45Å; W1400-A1443 HydrophobicContact CZ2-CB 3.89Å; W1400-L1459 HydrophobicContact CH2-CD2 3.77Å; W1400-L1459 HydrophobicContact CZ2-CD2 3.63Å
1401L89.5Confident87.6Confident27 Ų2758.5 Ų58.514%0.14128%0.275CS..Hα-helixtrans-62-35.4177-65.2174.7000111.1R1397 A1403 A1405 D1437 A1443R1397-L1401 HydrophobicContact CG-CD1 4.02Å; R1397-L1401 WeakPolarHBondContact O-CB 3.44Å; R1397-L1401 WeakPolarHBondContact O-CG 3.38Å; R1397-L1401 PolarHBondContact O-N 3.38Å; L1401-A1403 PolarHBondContact O-N 3.13Å; L1401-A1405 HydrophobicContact CB-CB 4.23Å; L1401-A1405 HydrophobicContact CD2-CB 4.18Å; L1401-A1405 WeakPolarHBondContact O-CA 3.4Å; L1401-A1405 WeakPolarHBondContact O-CB 3.33Å; L1401-A1405 PolarHBondContact O-N 3.11Å; L1401-D1437 HydrophobicContact CD1-CB 4.08Å; L1401-A1443 HydrophobicContact CD2-CB 4.37Å
1402K87.4Confident87.6Confident102 Ų10259.2 Ų59.244%0.44329%0.29SS..Hα-helixtrans-65.2-26.1173.9-178.1-177.5170.4-162.10113.4H1398 W1400 R1406H1398-K1402 WeakPolarHBondContact O-CB 3.49Å; H1398-K1402 PolarHBondContact O-N 2.82Å; H1398-K1402 VanDerWaalsContact O-N 3.14Å; W1400-K1402 VanDerWaalsContact C-N 3.26Å; W1400-K1402 PolarHBondContact O-N 3.34Å; K1402-R1406 WeakPolarHBondContact O-CD 3.01Å; K1402-R1406 PolarHBondContact O-NE 2.89Å; K1402-R1406 VanDerWaalsContact O-NE 3.1Å
1403A85.5Confident87.6Confident23 Ų2363.9 Ų63.919%0.1931%0.312CS..Hα-helixtrans-82.7-53175.400000111.8T1399 W1400 L1401 A1409T1399-A1403 PolarHBondContact O-N 2.72Å; T1399-A1403 VanDerWaalsContact O-N 3.11Å; W1400-A1403 WeakPolarHBondContact O-CA 3.45Å; W1400-A1403 WeakPolarHBondContact O-CB 3.26Å; W1400-A1403 PolarHBondContact O-N 2.96Å; L1401-A1403 PolarHBondContact O-N 3.13Å; A1403-A1409 WeakPolarHBondContact O-CB 3.27Å
1404A88.9Confident87.7Confident1 Ų159.8 Ų59.81%0.00830%0.297CS..Hα-helixtrans-92.8-32.9-17000000115W1400 R1406 V1414 A1443 V1455W1400-A1404 HydrophobicContact CE3-CB 4.35Å; W1400-A1404 HydrophobicContact CH2-CB 4.06Å; W1400-A1404 HydrophobicContact CZ2-CB 4.24Å; W1400-A1404 HydrophobicContact CZ3-CB 4.13Å; W1400-A1404 PolarHBondContact O-N 3.49Å; A1404-R1406 PolarHBondContact O-N 3.26Å; A1404-R1406 VanDerWaalsContact O-N 3.1Å; A1404-V1414 HydrophobicContact CB-CG1 4.45Å; A1404-V1414 HydrophobicContact CB-CG2 4.03Å; A1404-A1443 HydrophobicContact CB-CB 3.93Å; A1404-V1455 HydrophobicContact CB-CG1 4.49Å
1405A86.7Confident88Confident16 Ų1658.2 Ų58.213%0.13229%0.29CS..SBendtrans-85.527.5-171.900000114.2L1401 Y1446L1401-A1405 HydrophobicContact CB-CB 4.23Å; L1401-A1405 HydrophobicContact CD2-CB 4.18Å; L1401-A1405 WeakPolarHBondContact O-CA 3.4Å; L1401-A1405 WeakPolarHBondContact O-CB 3.33Å; L1401-A1405 PolarHBondContact O-N 3.11Å; A1405-Y1446 HydrophobicContact CB-CD1 4.42Å; A1405-Y1446 HydrophobicContact CB-CD2 3.58Å; A1405-Y1446 HydrophobicContact CB-CE2 4.35Å; A1405-Y1446 HydrophobicContact CB-CG 3.62Å
1406R86.1Confident87.9Confident125 Ų12562.5 Ų62.547%0.47231%0.309SS..SBendtrans-110.1141.8179.5-69.3-179.5166.6-148.9-12110.2K1402 A1404 T1408 A1409K1402-R1406 WeakPolarHBondContact O-CD 3.01Å; K1402-R1406 PolarHBondContact O-NE 2.89Å; K1402-R1406 VanDerWaalsContact O-NE 3.1Å; A1404-R1406 PolarHBondContact O-N 3.26Å; A1404-R1406 VanDerWaalsContact O-N 3.1Å; R1406-T1408 PolarHBondContact O-N 3.2Å; R1406-A1409 HydrophobicContact CB-CB 4.14Å; R1406-A1409 WeakPolarHBondContact O-CB 3.33Å; R1406-A1409 PolarHBondContact O-N 3Å
1407R82.7Confident87.9Confident192 Ų19263.1 Ų63.173%0.72531%0.312SS*.THydrogen-bonded Turntrans-56.3-34168.3-172.3173.5-174.3-161.1-0.8112H1450R1407-H1450 HydrophobicContact CB-CB 4.01Å; R1407-H1450 HydrophobicContact CG-CB 4.13Å; R1407-H1450 PolarHBondContact N-CD2 2.82Å
1408T84Confident87.9Confident124 Ų12460.5 Ų60.576%0.76130%0.303SS*.THydrogen-bonded Turntrans-100.638.5172.652.20000112.7R1406R1406-T1408 PolarHBondContact O-N 3.2Å
1409A87Confident88Confident11 Ų1160.1 Ų60.19%0.09130%0.299CS..  trans-70.3127.7168.100000110.2A1403 R1406 N1452 V1455A1403-A1409 WeakPolarHBondContact O-CB 3.27Å; R1406-A1409 HydrophobicContact CB-CB 4.14Å; R1406-A1409 WeakPolarHBondContact O-CB 3.33Å; R1406-A1409 PolarHBondContact O-N 3Å; A1409-N1452 PolarHBondContact O-ND2 3.29Å; A1409-V1455 HydrophobicContact CB-CG2 4.15Å
1410D87.1Confident87.9Confident94 Ų9460.2 Ų60.250%0.50330%0.299SS..  trans-82.5116.5174.7164.617.7000109.7A1412 Q1413 V1414D1410-A1412 VanDerWaalsContact C-N 3.31Å; D1410-A1412 PolarHBondContact O-N 3.19Å; D1410-A1412 WeakPolarHBondContact OD1-CB 3.38Å; D1410-A1412 PolarHBondContact OD1-N 3.02Å; D1410-Q1413 HydrophobicContact CB-CB 4.03Å; D1410-Q1413 PolarHBondContact O-N 2.92Å; D1410-Q1413 VanDerWaalsContact O-N 3.16Å; D1410-Q1413 PolarHBondContact OD1-N 3.29Å; D1410-Q1413 VanDerWaalsContact OD2-CB 3.24Å; D1410-Q1413 WeakPolarHBondContact OD2-CB 3.37Å; D1410-Q1413 PolarHBondContact OD2-N 3Å; D1410-V1414 WeakPolarHBondContact O-CG2 3.28Å; D1410-V1414 PolarHBondContact O-N 2.84Å
1411A89.5Confident87.7Confident26 Ų2660.2 Ų60.222%0.21530%0.299CS..Hα-helixtrans-56.1-41.2179.500000112.5Q1413 V1414 E1415 D1454 V1455 L1458A1411-Q1413 VanDerWaalsContact C-N 3.34Å; A1411-Q1413 PolarHBondContact O-N 2.89Å; A1411-V1414 PolarHBondContact O-N 3.05Å; A1411-E1415 WeakPolarHBondContact O-CB 3.47Å; A1411-E1415 PolarHBondContact O-N 2.93Å; A1411-D1454 HydrophobicContact CB-CB 3.9Å; A1411-V1455 HydrophobicContact CB-CG2 4.33Å; A1411-L1458 HydrophobicContact CB-CD1 3.8Å; A1411-L1458 WeakPolarHBondContact O-CD1 3.48Å
1412A88.4Confident87.6Confident56 Ų5663.3 Ų63.346%0.46331%0.313SS..Hα-helixtrans-68.4-34.1179.500000112.1D1410 K1416D1410-A1412 VanDerWaalsContact C-N 3.31Å; D1410-A1412 PolarHBondContact O-N 3.19Å; D1410-A1412 WeakPolarHBondContact OD1-CB 3.38Å; D1410-A1412 PolarHBondContact OD1-N 3.02Å; A1412-K1416 WeakPolarHBondContact O-CB 3.47Å; A1412-K1416 PolarHBondContact O-N 3.13Å
1413Q87.5Confident87.6Confident97 Ų9764 Ų6445%0.45333%0.326SS..Hα-helixtrans-74.6-28.1173.9-176.6558800112.5D1410 A1411 F1417D1410-Q1413 HydrophobicContact CB-CB 4.03Å; D1410-Q1413 PolarHBondContact O-N 2.92Å; D1410-Q1413 VanDerWaalsContact O-N 3.16Å; D1410-Q1413 PolarHBondContact OD1-N 3.29Å; D1410-Q1413 VanDerWaalsContact OD2-CB 3.24Å; D1410-Q1413 WeakPolarHBondContact OD2-CB 3.37Å; D1410-Q1413 PolarHBondContact OD2-N 3Å; A1411-Q1413 VanDerWaalsContact C-N 3.34Å; A1411-Q1413 PolarHBondContact O-N 2.89Å; Q1413-F1417 WeakPolarHBondContact O-CB 3.46Å; Q1413-F1417 PolarHBondContact O-N 2.89Å
1414V90.6Very high87.5Confident1 Ų166 Ų661%0.00633%0.328CS..Hα-helixtrans-71.8-49.2170.3172.40000110.9W1400 A1404 D1410 A1411 K1416 F1417 L1418 V1455W1400-V1414 HydrophobicContact CH2-CG1 3.96Å; W1400-V1414 HydrophobicContact CZ3-CG1 4.02Å; A1404-V1414 HydrophobicContact CB-CG1 4.45Å; A1404-V1414 HydrophobicContact CB-CG2 4.03Å; D1410-V1414 WeakPolarHBondContact O-CG2 3.28Å; D1410-V1414 PolarHBondContact O-N 2.84Å; A1411-V1414 PolarHBondContact O-N 3.05Å; V1414-K1416 VanDerWaalsContact C-N 3.31Å; V1414-K1416 PolarHBondContact O-N 3.42Å; V1414-F1417 WeakPolarHBondContact O-CA 3.4Å; V1414-F1417 WeakPolarHBondContact O-CB 3.23Å; V1414-F1417 PolarHBondContact O-N 3.25Å; V1414-L1418 HydrophobicContact CG1-CD1 3.86Å; V1414-L1418 HydrophobicContact CG1-CG 4.37Å; V1414-L1418 WeakPolarHBondContact O-CG 2.97Å; V1414-L1418 PolarHBondContact O-N 3.27Å; V1414-V1455 HydrophobicContact CG1-CG1 4.42Å; V1414-V1455 HydrophobicContact CG2-CG2 4.24Å
1415E91.5Very high87.4Confident74 Ų7467.2 Ų67.235%0.34634%0.341SS..Hα-helixtrans-54.5-46.4175.9-172.5-156.4-167.600111.6A1411 F1417 L1418 K1419 L1458A1411-E1415 WeakPolarHBondContact O-CB 3.47Å; A1411-E1415 PolarHBondContact O-N 2.93Å; E1415-F1417 VanDerWaalsContact C-N 3.27Å; E1415-F1417 PolarHBondContact O-N 3.25Å; E1415-L1418 PolarHBondContact O-N 3.45Å; E1415-K1419 HydrophobicContact CG-CD 4.2Å; E1415-K1419 WeakPolarHBondContact O-CG 3.1Å; E1415-K1419 PolarHBondContact O-N 3.33Å; E1415-K1419 WeakPolarHBondContact OE1-CE 3.41Å; E1415-K1419 IonicContact OE1-NZ 3.5Å; E1415-K1419 PolarHBondContact OE1-NZ 3.49Å; E1415-L1458 HydrophobicContact CB-CD1 4Å; E1415-L1458 HydrophobicContact CB-CD2 4.12Å; E1415-L1458 HydrophobicContact CG-CD2 4.05Å
1416K88Confident87.4Confident131 Ų13170.5 Ų70.557%0.5735%0.353SS*.Hα-helixtrans-63.7-30176.4-175.5172.9-175.2169.90113.5A1412 V1414 L1420A1412-K1416 WeakPolarHBondContact O-CB 3.47Å; A1412-K1416 PolarHBondContact O-N 3.13Å; V1414-K1416 VanDerWaalsContact C-N 3.31Å; V1414-K1416 PolarHBondContact O-N 3.42Å; K1416-L1420 PolarHBondContact O-N 3.13Å
1417F87.9Confident87.3Confident14 Ų1470.7 Ų70.76%0.06136%0.359CS..Hα-helixtrans-74.7-44.9173.6-171-76.3000110.5L1367 W1400 Q1413 V1414 E1415 K1419 L1420 V1421 V1432L1367-F1417 HydrophobicContact CD1-CE2 3.98Å; L1367-F1417 HydrophobicContact CD1-CZ 4.04Å; L1367-F1417 HydrophobicContact CD2-CD2 4.02Å; L1367-F1417 HydrophobicContact CD2-CE2 3.51Å; L1367-F1417 HydrophobicContact CD2-CZ 4.29Å; L1367-F1417 HydrophobicContact CG-CE2 4.39Å; W1400-F1417 HydrophobicContact CB-CE1 4.18Å; W1400-F1417 HydrophobicContact CB-CZ 4.07Å; W1400-F1417 HydrophobicContact CD2-CD1 4.43Å; W1400-F1417 HydrophobicContact CD2-CE1 4.12Å; W1400-F1417 AromaticContact CE3-CD1 3.4Å; W1400-F1417 HydrophobicContact CE3-CD1 3.4Å; W1400-F1417 AromaticContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CE1 3.47Å; W1400-F1417 VanDerWaalsContact CE3-CE1 3.47Å; W1400-F1417 HydrophobicContact CE3-CG 4.12Å; W1400-F1417 HydrophobicContact CE3-CZ 4.24Å; W1400-F1417 HydrophobicContact CG-CE1 4.43Å; W1400-F1417 AromaticContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CD1 3.68Å; W1400-F1417 HydrophobicContact CZ3-CE1 4.2Å; W1400-F1417 HydrophobicContact CZ3-CG 4.32Å; Q1413-F1417 WeakPolarHBondContact O-CB 3.46Å; Q1413-F1417 PolarHBondContact O-N 2.89Å; V1414-F1417 WeakPolarHBondContact O-CA 3.4Å; V1414-F1417 WeakPolarHBondContact O-CB 3.23Å; V1414-F1417 PolarHBondContact O-N 3.25Å; E1415-F1417 VanDerWaalsContact C-N 3.27Å; E1415-F1417 PolarHBondContact O-N 3.25Å; F1417-K1419 PolarHBondContact O-N 3.28Å; F1417-L1420 WeakPolarHBondContact O-CB 3.37Å; F1417-L1420 PolarHBondContact O-N 3.16Å; F1417-L1420 VanDerWaalsContact O-N 3.13Å; F1417-V1421 HydrophobicContact CD1-CG2 4.02Å; F1417-V1421 HydrophobicContact CE1-CG2 3.82Å; F1417-V1421 WeakPolarHBondContact O-CG2 3.49Å; F1417-V1421 PolarHBondContact O-N 3.46Å; F1417-V1421 VanDerWaalsContact O-N 3.12Å; F1417-V1432 HydrophobicContact CE1-CG1 4Å
1418L90.6Very high87.4Confident11 Ų1162 Ų626%0.05833%0.327CS..Hα-helixtrans-57.4-49.1176.6-70.9165.8000111.2W1400 V1414 E1415 L1420 V1421 E1422 L1429 V1433 L1458W1400-L1418 HydrophobicContact CH2-CD1 4.4Å; W1400-L1418 HydrophobicContact CH2-CD2 3.56Å; W1400-L1418 HydrophobicContact CH2-CG 3.95Å; W1400-L1418 HydrophobicContact CZ2-CD2 4.25Å; W1400-L1418 HydrophobicContact CZ3-CD2 4.11Å; W1400-L1418 HydrophobicContact CZ3-CG 4.22Å; V1414-L1418 HydrophobicContact CG1-CD1 3.86Å; V1414-L1418 HydrophobicContact CG1-CG 4.37Å; V1414-L1418 WeakPolarHBondContact O-CG 2.97Å; V1414-L1418 PolarHBondContact O-N 3.27Å; E1415-L1418 PolarHBondContact O-N 3.45Å; L1418-L1420 VanDerWaalsContact C-N 3.29Å; L1418-L1420 PolarHBondContact O-N 3.41Å; L1418-V1421 PolarHBondContact O-N 3.06Å; L1418-E1422 WeakPolarHBondContact O-CB 3.24Å; L1418-E1422 PolarHBondContact O-N 3.48Å; L1418-L1429 HydrophobicContact CD2-CD1 4.02Å; L1418-V1433 HydrophobicContact CD2-CG2 3.69Å; L1418-L1458 HydrophobicContact CD1-CB 4.37Å
1419K88.5Confident87.6Confident108 Ų10856.2 Ų56.247%0.4729%0.292SS..Hα-helixtrans-59.5-34175.5-72.5173172.9175.20113.4E1415 F1417 T1423E1415-K1419 HydrophobicContact CG-CD 4.2Å; E1415-K1419 WeakPolarHBondContact O-CG 3.1Å; E1415-K1419 PolarHBondContact O-N 3.33Å; E1415-K1419 WeakPolarHBondContact OE1-CE 3.41Å; E1415-K1419 IonicContact OE1-NZ 3.5Å; E1415-K1419 PolarHBondContact OE1-NZ 3.49Å; F1417-K1419 PolarHBondContact O-N 3.28Å; K1419-T1423 WeakPolarHBondContact O-CG2 3.41Å; K1419-T1423 PolarHBondContact O-N 3.13Å; K1419-T1423 VanDerWaalsContact O-N 3.15Å; K1419-T1423 PolarHBondContact O-OG1 2.99Å
1420L86.5Confident87.6Confident32 Ų3259.9 Ų59.917%0.16831%0.306CS..Hα-helixtrans-70.1-30.2175.5-177.865.8000112.8L1367 E1368 K1416 F1417 L1418 T1423L1367-L1420 HydrophobicContact CD2-CD2 4.16Å; E1368-L1420 HydrophobicContact CG-CD1 4.46Å; E1368-L1420 HydrophobicContact CG-CD2 4.32Å; K1416-L1420 PolarHBondContact O-N 3.13Å; F1417-L1420 WeakPolarHBondContact O-CB 3.37Å; F1417-L1420 PolarHBondContact O-N 3.16Å; F1417-L1420 VanDerWaalsContact O-N 3.13Å; L1418-L1420 VanDerWaalsContact C-N 3.29Å; L1418-L1420 PolarHBondContact O-N 3.41Å; L1420-T1423 PolarHBondContact O-OG1 2.6Å
1421V87.2Confident87.6Confident0 Ų058.9 Ų58.90%030%0.299CS..Hα-helixtrans-82.8-41.5175.6-177.60000110.8L1371 F1417 L1418 T1423 R1424 G1425 L1428 L1429 V1432L1371-V1421 HydrophobicContact CD1-CG2 4.1Å; L1371-V1421 HydrophobicContact CD2-CG2 4.01Å; F1417-V1421 HydrophobicContact CD1-CG2 4.02Å; F1417-V1421 HydrophobicContact CE1-CG2 3.82Å; F1417-V1421 WeakPolarHBondContact O-CG2 3.49Å; F1417-V1421 PolarHBondContact O-N 3.46Å; F1417-V1421 VanDerWaalsContact O-N 3.12Å; L1418-V1421 PolarHBondContact O-N 3.06Å; V1421-T1423 VanDerWaalsContact C-N 3.34Å; V1421-T1423 PolarHBondContact O-N 3.22Å; V1421-R1424 WeakPolarHBondContact O-CB 3.45Å; V1421-R1424 PolarHBondContact O-N 2.84Å; V1421-R1424 VanDerWaalsContact O-N 3.09Å; V1421-G1425 PolarHBondContact O-N 2.92Å; V1421-L1428 HydrophobicContact CG1-CB 4.42Å; V1421-L1428 HydrophobicContact CG1-CD2 4.3Å; V1421-L1428 HydrophobicContact CG1-CG 3.95Å; V1421-L1429 HydrophobicContact CB-CD1 4.15Å; V1421-L1429 HydrophobicContact CG1-CB 4.22Å; V1421-L1429 HydrophobicContact CG1-CD1 4.16Å; V1421-V1432 HydrophobicContact CG1-CB 4.19Å; V1421-V1432 HydrophobicContact CG1-CG2 4.11Å; V1421-V1432 HydrophobicContact CG2-CG1 4.36Å
1422E87.1Confident87.5Confident92 Ų9257.7 Ų57.743%0.4329%0.289SS..Hα-helixtrans-58.6-43.2178.4-179.4168-136.800112.4L1418 R1424 G1425 Q1426 L1429L1418-E1422 WeakPolarHBondContact O-CB 3.24Å; L1418-E1422 PolarHBondContact O-N 3.48Å; E1422-R1424 PolarHBondContact O-N 2.85Å; E1422-G1425 PolarHBondContact O-N 3.01Å; E1422-G1425 VanDerWaalsContact O-N 3.11Å; E1422-Q1426 PolarHBondContact OE1-NE2 3.15Å; E1422-L1429 HydrophobicContact CB-CD2 4.12Å; E1422-L1429 HydrophobicContact CG-CD2 4.29Å
1423T87.5Confident87.5Confident117 Ų11755.2 Ų55.272%0.71827%0.268SS*.THydrogen-bonded Turntrans-62.6-6.6177.144.70000114.8K1419 L1420 V1421K1419-T1423 WeakPolarHBondContact O-CG2 3.41Å; K1419-T1423 PolarHBondContact O-N 3.13Å; K1419-T1423 VanDerWaalsContact O-N 3.15Å; K1419-T1423 PolarHBondContact O-OG1 2.99Å; L1420-T1423 PolarHBondContact O-OG1 2.6Å; V1421-T1423 VanDerWaalsContact C-N 3.34Å; V1421-T1423 PolarHBondContact O-N 3.22Å
1424R84.9Confident87.7Confident65 Ų6551.1 Ų51.125%0.24525%0.249CC..THydrogen-bonded Turntrans-105.7-26.9174.3-69.8168.4169.4-103.17.1113.8E1368 E1375 V1421 E1422 L1428E1368-R1424 PolarHBondContact O-NH1 3.22Å; E1368-R1424 PolarHBondContact O-NH2 3.46Å; E1375-R1424 IonicContact OE2-CZ 2.94Å; E1375-R1424 IonicContact OE2-NH1 2.86Å; E1375-R1424 PolarHBondContact OE2-NH1 2.74Å; V1421-R1424 WeakPolarHBondContact O-CB 3.45Å; V1421-R1424 PolarHBondContact O-N 2.84Å; V1421-R1424 VanDerWaalsContact O-N 3.09Å; E1422-R1424 PolarHBondContact O-N 2.85Å; R1424-L1428 HydrophobicContact CB-CD2 4.1Å
1425G85.8Confident87.6Confident26 Ų2652.2 Ų52.227%0.26826%0.255SS..  trans154.7141.4172.700000114.7V1421 E1422 Q1427 L1428 L1429V1421-G1425 PolarHBondContact O-N 2.92Å; E1422-G1425 PolarHBondContact O-N 3.01Å; E1422-G1425 VanDerWaalsContact O-N 3.11Å; G1425-Q1427 VanDerWaalsContact C-N 3.29Å; G1425-Q1427 PolarHBondContact O-N 3.3Å; G1425-L1428 WeakPolarHBondContact O-CB 3.31Å; G1425-L1428 PolarHBondContact O-N 3.49Å; G1425-L1429 PolarHBondContact O-N 2.89Å
1426Q86.3Confident87.5Confident85 Ų8549.5 Ų49.540%0.39724%0.244SC..Hα-helixtrans-60.9-33.5-179-68.8-67.7-23.400113.3E1422 L1429 K1430E1422-Q1426 PolarHBondContact OE1-NE2 3.15Å; Q1426-L1429 PolarHBondContact O-N 2.91Å; Q1426-K1430 WeakPolarHBondContact O-CB 3.33Å; Q1426-K1430 PolarHBondContact O-N 2.8Å
1427Q84Confident87.5Confident129 Ų12944.3 Ų44.360%0.60322%0.222SC*.Hα-helixtrans-67.7-35175.3-175.461.712.800112.3G1425 M1431G1425-Q1427 VanDerWaalsContact C-N 3.29Å; G1425-Q1427 PolarHBondContact O-N 3.3Å; Q1427-M1431 WeakPolarHBondContact O-CB 3.43Å; Q1427-M1431 PolarHBondContact O-N 2.98Å
1428L85.7Confident87.4Confident10 Ų1050.9 Ų50.95%0.05225%0.253CS..Hα-helixtrans-72.6-39.3173.3-174.663.8000110.8L1371 L1374 E1375 V1421 R1424 G1425 M1431 V1432L1371-L1428 HydrophobicContact CB-CD2 4.28Å; L1371-L1428 HydrophobicContact CD2-CD2 4.1Å; L1374-L1428 HydrophobicContact CB-CD1 3.55Å; L1374-L1428 HydrophobicContact CD1-CD1 4.16Å; E1375-L1428 HydrophobicContact CB-CD2 4.38Å; V1421-L1428 HydrophobicContact CG1-CB 4.42Å; V1421-L1428 HydrophobicContact CG1-CD2 4.3Å; V1421-L1428 HydrophobicContact CG1-CG 3.95Å; R1424-L1428 HydrophobicContact CB-CD2 4.1Å; G1425-L1428 WeakPolarHBondContact O-CB 3.31Å; G1425-L1428 PolarHBondContact O-N 3.49Å; L1428-M1431 PolarHBondContact O-N 3.48Å; L1428-V1432 HydrophobicContact CD1-CG2 4.1Å; L1428-V1432 HydrophobicContact CG-CG2 4.27Å; L1428-V1432 WeakPolarHBondContact O-CB 3.38Å; L1428-V1432 VanDerWaalsContact O-CG2 3.27Å; L1428-V1432 WeakPolarHBondContact O-CG2 3.34Å; L1428-V1432 PolarHBondContact O-N 2.63Å
1429L87.9Confident87Confident2 Ų253 Ų531%0.0127%0.265CS..Hα-helixtrans-57.7-49.6173.4-17566.2000111.4L1418 V1421 E1422 G1425 Q1426 M1431 V1432 V1433 Q1464L1418-L1429 HydrophobicContact CD2-CD1 4.02Å; V1421-L1429 HydrophobicContact CB-CD1 4.15Å; V1421-L1429 HydrophobicContact CG1-CB 4.22Å; V1421-L1429 HydrophobicContact CG1-CD1 4.16Å; E1422-L1429 HydrophobicContact CB-CD2 4.12Å; E1422-L1429 HydrophobicContact CG-CD2 4.29Å; G1425-L1429 PolarHBondContact O-N 2.89Å; Q1426-L1429 PolarHBondContact O-N 2.91Å; L1429-M1431 PolarHBondContact O-N 2.87Å; L1429-V1432 PolarHBondContact O-N 3.5Å; L1429-V1433 HydrophobicContact CD1-CG2 3.97Å; L1429-V1433 HydrophobicContact CG-CG2 4.29Å; L1429-V1433 WeakPolarHBondContact O-CB 3.48Å; L1429-V1433 VanDerWaalsContact O-CG2 3.32Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.49Å; L1429-V1433 PolarHBondContact O-N 2.66Å; L1429-Q1464 HydrophobicContact CD2-CG 4.05Å; L1429-Q1464 HydrophobicContact CG-CG 4.26Å
1430K87.8Confident86.9Confident88 Ų8851 Ų5138%0.38326%0.259SS..Hα-helixtrans-59.5-43.3175.3-174.6170.5-176.6167.80112.5Q1426 N1434 Q1464Q1426-K1430 WeakPolarHBondContact O-CB 3.33Å; Q1426-K1430 PolarHBondContact O-N 2.8Å; K1430-N1434 WeakPolarHBondContact O-CB 3.31Å; K1430-N1434 PolarHBondContact O-N 3.29Å; K1430-N1434 PolarHBondContact O-ND2 2.81Å; K1430-Q1464 HydrophobicContact CB-CB 4.01Å; K1430-Q1464 HydrophobicContact CB-CG 4.26Å; K1430-Q1464 HydrophobicContact CG-CB 4.32Å
1431M86.7Confident87.1Confident72 Ų7250.1 Ų50.136%0.35525%0.254SS..Hα-helixtrans-59.3-50.6174.9-172.5-172.5-60.100111.2Q1427 L1428 L1429 I1435Q1427-M1431 WeakPolarHBondContact O-CB 3.43Å; Q1427-M1431 PolarHBondContact O-N 2.98Å; L1428-M1431 PolarHBondContact O-N 3.48Å; L1429-M1431 PolarHBondContact O-N 2.87Å; M1431-I1435 WeakPolarHBondContact O-CG1 3.5Å; M1431-I1435 PolarHBondContact O-N 2.75Å
1432V87.4Confident87.3Confident2 Ų250.3 Ų50.31%0.01226%0.256CS..Hα-helixtrans-71-45.6-171.7173.50000112.5L1371 V1396 W1400 F1417 V1421 L1428 L1429 N1434 I1435L1371-V1432 HydrophobicContact CD2-CG2 4.21Å; V1396-V1432 HydrophobicContact CG1-CG1 4Å; V1396-V1432 HydrophobicContact CG1-CG2 3.79Å; W1400-V1432 HydrophobicContact CB-CG1 4.42Å; W1400-V1432 HydrophobicContact CD2-CG1 4.32Å; W1400-V1432 HydrophobicContact CG-CG1 4.1Å; W1400-V1432 PolarHBondContact NE1-O 2.82Å; F1417-V1432 HydrophobicContact CE1-CG1 4Å; V1421-V1432 HydrophobicContact CG1-CB 4.19Å; V1421-V1432 HydrophobicContact CG1-CG2 4.11Å; V1421-V1432 HydrophobicContact CG2-CG1 4.36Å; L1428-V1432 HydrophobicContact CD1-CG2 4.1Å; L1428-V1432 HydrophobicContact CG-CG2 4.27Å; L1428-V1432 WeakPolarHBondContact O-CB 3.38Å; L1428-V1432 VanDerWaalsContact O-CG2 3.27Å; L1428-V1432 WeakPolarHBondContact O-CG2 3.34Å; L1428-V1432 PolarHBondContact O-N 2.63Å; L1429-V1432 PolarHBondContact O-N 3.5Å; V1432-N1434 PolarHBondContact O-N 3.06Å; V1432-I1435 HydrophobicContact CG2-CD1 4.5Å; V1432-I1435 WeakPolarHBondContact O-CB 3.21Å; V1432-I1435 WeakPolarHBondContact O-CG1 3.49Å; V1432-I1435 PolarHBondContact O-N 3.47Å
1433V89.1Confident87.5Confident4 Ų445.9 Ų45.92%0.02424%0.235CC..Hα-helixtrans-58-39.9178.5171.80000111W1400 L1418 L1429 I1435 L1459 C1465W1400-V1433 HydrophobicContact CZ2-CG2 4.45Å; L1418-V1433 HydrophobicContact CD2-CG2 3.69Å; L1429-V1433 HydrophobicContact CD1-CG2 3.97Å; L1429-V1433 HydrophobicContact CG-CG2 4.29Å; L1429-V1433 WeakPolarHBondContact O-CB 3.48Å; L1429-V1433 VanDerWaalsContact O-CG2 3.32Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.49Å; L1429-V1433 PolarHBondContact O-N 2.66Å; V1433-I1435 PolarHBondContact O-N 2.87Å; V1433-L1459 HydrophobicContact CG1-CD2 4.24Å; V1433-C1465 HydrophobicContact CG1-CB 3.98Å
1434N90.9Very high87.7Confident11 Ų1140.6 Ų40.66%0.05920%0.202CC..THydrogen-bonded Turntrans-91.710-175.7-59.2-24.2000114.4K1430 V1432 S1436 Q1464 C1465 E1466 K1469K1430-N1434 WeakPolarHBondContact O-CB 3.31Å; K1430-N1434 PolarHBondContact O-N 3.29Å; K1430-N1434 PolarHBondContact O-ND2 2.81Å; V1432-N1434 PolarHBondContact O-N 3.06Å; N1434-S1436 PolarHBondContact O-N 3.12Å; N1434-Q1464 PolarHBondContact ND2-O 3.06Å; N1434-C1465 WeakPolarHBondContact OD1-CA 3.23Å; N1434-E1466 HydrophobicContact CB-CB 4.38Å; N1434-E1466 HydrophobicContact CB-CG 4.35Å; N1434-E1466 VanDerWaalsContact CG-CD 3.49Å; N1434-E1466 VanDerWaalsContact ND2-CG 3.28Å; N1434-E1466 WeakPolarHBondContact ND2-CG 3.49Å; N1434-E1466 PolarHBondContact ND2-OE1 3.36Å; N1434-E1466 PolarHBondContact OD1-N 3.45Å; N1434-K1469 PolarHBondContact O-NZ 2.63Å
1435I89.1Confident88Confident24 Ų2437.6 Ų37.612%0.12319%0.191CC..  trans-60.4120.6167.4-68.4177.8000109.1V1396 R1397 M1431 V1432 V1433V1396-I1435 HydrophobicContact CG1-CD1 4.13Å; R1397-I1435 HydrophobicContact CB-CD1 4.29Å; R1397-I1435 HydrophobicContact CB-CG2 3.58Å; R1397-I1435 HydrophobicContact CG-CG2 3.45Å; R1397-I1435 VanDerWaalsContact CG-CG2 3.45Å; M1431-I1435 WeakPolarHBondContact O-CG1 3.5Å; M1431-I1435 PolarHBondContact O-N 2.75Å; V1432-I1435 HydrophobicContact CG2-CD1 4.5Å; V1432-I1435 WeakPolarHBondContact O-CB 3.21Å; V1432-I1435 WeakPolarHBondContact O-CG1 3.49Å; V1432-I1435 PolarHBondContact O-N 3.47Å; V1433-I1435 PolarHBondContact O-N 2.87Å
1436S89.2Confident88.2Confident16 Ų1639.3 Ų39.311%0.11219%0.19CC..BIsolated β-bridgetrans-90.4178.2171.164.40000112.9R1397 N1434 D1440 N1441R1397-S1436 WeakPolarHBondContact CD-O 3.16Å; R1397-S1436 PolarHBondContact NE-O 3.45Å; R1397-S1436 PolarHBondContact NH1-O 2.71Å; N1434-S1436 PolarHBondContact O-N 3.12Å; S1436-D1440 PolarHBondContact OG-OD1 3.05Å; S1436-D1440 VanDerWaalsContact OG-OD1 3.09Å; S1436-N1441 CarbonylContact C-O 3.53Å; S1436-N1441 VanDerWaalsContact CA-O 3.25Å; S1436-N1441 WeakPolarHBondContact CA-O 3.27Å
1437D88.5Confident88.4Confident22 Ų2235.3 Ų35.312%0.11817%0.171CC..  trans-95.6-149.2170.784.2-35.5000112.5R1397 L1401 N1439 D1440 N1441 Y1446R1397-D1437 VanDerWaalsContact CZ-C 3.48Å; R1397-D1437 VanDerWaalsContact CZ-O 3.22Å; R1397-D1437 PolarHBondContact NH1-O 2.87Å; R1397-D1437 PolarHBondContact NH2-O 2.68Å; L1401-D1437 HydrophobicContact CD1-CB 4.08Å; D1437-N1439 VanDerWaalsContact OD1-C 3.25Å; D1437-N1439 VanDerWaalsContact OD1-CA 3.32Å; D1437-N1439 WeakPolarHBondContact OD1-CA 3.26Å; D1437-N1439 WeakPolarHBondContact OD1-CB 3.13Å; D1437-N1439 PolarHBondContact OD1-N 3.4Å; D1437-N1439 PolarHBondContact OD2-N 2.81Å; D1437-N1439 PolarHBondContact OD2-ND2 2.72Å; D1437-D1440 PolarHBondContact OD1-N 2.75Å; D1437-D1440 VanDerWaalsContact OD1-N 3.07Å; D1437-N1441 PolarHBondContact N-O 3.18Å; D1437-N1441 WeakPolarHBondContact OD1-CB 3.18Å; D1437-N1441 PolarHBondContact OD1-N 3.2Å; D1437-Y1446 PolarHBondContact OD2-OH 3.05Å
1438E84.2Confident88.6Confident153 Ų15329.2 Ų29.272%0.71514%0.143SC*.SBendtrans-89.3-7.6174.5-65.2-179-170.400113.4K1472E1438-K1472 PolarHBondContact O-NZ 3.39Å
1439N82.1Confident88.7Confident55 Ų5530.8 Ų30.829%0.29416%0.155SC..SBendtrans-108.913.6176.1-51.2-74.7000111.3D1437 N1441 N1471 K1472D1437-N1439 VanDerWaalsContact OD1-C 3.25Å; D1437-N1439 VanDerWaalsContact OD1-CA 3.32Å; D1437-N1439 WeakPolarHBondContact OD1-CA 3.26Å; D1437-N1439 WeakPolarHBondContact OD1-CB 3.13Å; D1437-N1439 PolarHBondContact OD1-N 3.4Å; D1437-N1439 PolarHBondContact OD2-N 2.81Å; D1437-N1439 PolarHBondContact OD2-ND2 2.72Å; N1439-N1441 PolarHBondContact O-N 3.02Å; N1439-N1471 WeakPolarHBondContact O-CB 3.4Å; N1439-K1472 VanDerWaalsContact C-CB 3.49Å; N1439-K1472 WeakPolarHBondContact O-CB 3.44Å; N1439-K1472 PolarHBondContact O-N 3.22Å
1440D87.8Confident88.5Confident66 Ų6633 Ų3335%0.35317%0.165SC..  trans57.916.5-174.3-67.6-62.5000116.7S1436 D1437 S1442 K1472S1436-D1440 PolarHBondContact OG-OD1 3.05Å; S1436-D1440 VanDerWaalsContact OG-OD1 3.09Å; D1437-D1440 PolarHBondContact OD1-N 2.75Å; D1437-D1440 VanDerWaalsContact OD1-N 3.07Å; D1440-S1442 PolarHBondContact O-N 2.92Å; D1440-K1472 HydrophobicContact CB-CB 4.38Å
1441N89.6Confident88.3Confident13 Ų1330.7 Ų30.77%0.0717%0.166CC..  trans-72117.4170.9-63.8-50.9000110.6S1436 D1437 N1439 H1445 Y1446 N1471S1436-N1441 CarbonylContact C-O 3.53Å; S1436-N1441 VanDerWaalsContact CA-O 3.25Å; S1436-N1441 WeakPolarHBondContact CA-O 3.27Å; D1437-N1441 PolarHBondContact N-O 3.18Å; D1437-N1441 WeakPolarHBondContact OD1-CB 3.18Å; D1437-N1441 PolarHBondContact OD1-N 3.2Å; N1439-N1441 PolarHBondContact O-N 3.02Å; N1441-H1445 HydrophobicContact CB-CB 4.03Å; N1441-Y1446 HydrophobicContact CB-CD2 3.92Å; N1441-Y1446 HydrophobicContact CB-CE2 3.38Å; N1441-Y1446 PolarHBondContact ND2-OH 3.45Å; N1441-N1471 WeakPolarHBondContact OD1-CB 3.34Å; N1441-N1471 PolarHBondContact OD1-ND2 3.1Å
1442S91.4Very high88.4Confident4 Ų428.1 Ų28.13%0.02815%0.154CC..BIsolated β-bridgetrans-75.8171.2166.969.90000112D1440 L1444 H1445 Y1446D1440-S1442 PolarHBondContact O-N 2.92Å; S1442-L1444 PolarHBondContact O-N 3.31Å; S1442-H1445 PolarHBondContact N-ND1 3.31Å; S1442-H1445 WeakPolarHBondContact O-CB 3.18Å; S1442-H1445 PolarHBondContact O-N 3.4Å; S1442-H1445 VanDerWaalsContact O-N 3.1Å; S1442-H1445 PolarHBondContact OG-ND1 2.88Å; S1442-Y1446 PolarHBondContact O-N 2.74Å
1443A91.6Very high88.5Confident0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-52.8-37.217300000112.7W1400 L1401 A1404 Y1446 S1447 L1459W1400-A1443 HydrophobicContact CZ2-CB 3.89Å; L1401-A1443 HydrophobicContact CD2-CB 4.37Å; A1404-A1443 HydrophobicContact CB-CB 3.93Å; A1443-Y1446 PolarHBondContact O-N 3.18Å; A1443-S1447 PolarHBondContact O-N 2.85Å; A1443-S1447 PolarHBondContact O-OG 2.92Å; A1443-L1459 HydrophobicContact CB-CD1 4.36Å
1444L92.4Very high88.5Confident6 Ų633.9 Ų33.93%0.03118%0.183CC..Hα-helixtrans-65.1-38.4178.6-175.163.7000112.8S1442 Y1446 S1447 V1448 V1456 L1459 V1467 P1477 L1498S1442-L1444 PolarHBondContact O-N 3.31Å; L1444-Y1446 VanDerWaalsContact C-N 3.29Å; L1444-Y1446 PolarHBondContact O-N 3.12Å; L1444-S1447 WeakPolarHBondContact CA-OG 3.35Å; L1444-S1447 PolarHBondContact O-N 3.06Å; L1444-S1447 PolarHBondContact O-OG 2.88Å; L1444-V1448 HydrophobicContact CD1-CG2 4.17Å; L1444-V1448 HydrophobicContact CG-CG2 4.46Å; L1444-V1448 WeakPolarHBondContact O-CB 3.42Å; L1444-V1448 VanDerWaalsContact O-CG2 3.29Å; L1444-V1448 WeakPolarHBondContact O-CG2 3.44Å; L1444-V1448 PolarHBondContact O-N 2.96Å; L1444-V1456 HydrophobicContact CD1-CG1 4.06Å; L1444-V1456 HydrophobicContact CD1-CG2 4.39Å; L1444-L1459 HydrophobicContact CB-CD1 4.16Å; L1444-L1459 HydrophobicContact CD1-CB 4.2Å; L1444-L1459 HydrophobicContact CD1-CD1 4.08Å; L1444-V1467 HydrophobicContact CD2-CB 4.46Å; L1444-V1467 HydrophobicContact CD2-CG1 3.91Å; L1444-P1477 HydrophobicContact CD2-CB 3.92Å; L1444-P1477 HydrophobicContact CD2-CG 3.91Å; L1444-P1477 HydrophobicContact CG-CB 3.99Å; L1444-P1477 HydrophobicContact CG-CG 4.13Å; L1444-L1498 HydrophobicContact CD2-CD1 4.46Å
1445H91.2Very high88.5Confident2 Ų233.3 Ų33.31%0.00918%0.18CC..Hα-helixtrans-59.6-43.3175.5-70.975.4000111N1441 S1442 S1449 K1469 N1471 Y1475 L1480N1441-H1445 HydrophobicContact CB-CB 4.03Å; S1442-H1445 PolarHBondContact N-ND1 3.31Å; S1442-H1445 WeakPolarHBondContact O-CB 3.18Å; S1442-H1445 PolarHBondContact O-N 3.4Å; S1442-H1445 VanDerWaalsContact O-N 3.1Å; S1442-H1445 PolarHBondContact OG-ND1 2.88Å; H1445-S1449 WeakPolarHBondContact O-CB 3.49Å; H1445-S1449 PolarHBondContact O-N 3.49Å; H1445-K1469 PolarHBondContact CE1-O 2.72Å; H1445-K1469 PolarHBondContact NE2-O 2.77Å; H1445-N1471 PolarHBondContact NE2-N 3.47Å; H1445-Y1475 PolarHBondContact NE2-O 3.3Å; H1445-L1480 HydrophobicContact CB-CD1 3.89Å
1446Y89.1Confident88.7Confident62 Ų6232.2 Ų32.224%0.24318%0.175CC..Hα-helixtrans-72.3-41179.6-77.3-73.2000113.2A1405 D1437 N1441 S1442 A1443 L1444 S1449 H1450A1405-Y1446 HydrophobicContact CB-CD1 4.42Å; A1405-Y1446 HydrophobicContact CB-CD2 3.58Å; A1405-Y1446 HydrophobicContact CB-CE2 4.35Å; A1405-Y1446 HydrophobicContact CB-CG 3.62Å; D1437-Y1446 PolarHBondContact OD2-OH 3.05Å; N1441-Y1446 HydrophobicContact CB-CD2 3.92Å; N1441-Y1446 HydrophobicContact CB-CE2 3.38Å; N1441-Y1446 PolarHBondContact ND2-OH 3.45Å; S1442-Y1446 PolarHBondContact O-N 2.74Å; A1443-Y1446 PolarHBondContact O-N 3.18Å; L1444-Y1446 VanDerWaalsContact C-N 3.29Å; L1444-Y1446 PolarHBondContact O-N 3.12Å; Y1446-S1449 PolarHBondContact O-N 3.47Å; Y1446-H1450 VanDerWaalsContact O-CB 3.26Å; Y1446-H1450 WeakPolarHBondContact O-CB 3.17Å; Y1446-H1450 PolarHBondContact O-CD2 2.92Å; Y1446-H1450 VanDerWaalsContact O-CG 3.25Å; Y1446-H1450 PolarHBondContact O-N 3.17Å
1447S90.3Very high88.8Confident0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-65.4-41.3178.961.50000111.6A1443 L1444 H1450 G1451 N1452 V1456A1443-S1447 PolarHBondContact O-N 2.85Å; A1443-S1447 PolarHBondContact O-OG 2.92Å; L1444-S1447 WeakPolarHBondContact CA-OG 3.35Å; L1444-S1447 PolarHBondContact O-N 3.06Å; L1444-S1447 PolarHBondContact O-OG 2.88Å; S1447-H1450 PolarHBondContact O-N 3.17Å; S1447-G1451 PolarHBondContact O-N 3.04Å; S1447-N1452 PolarHBondContact O-N 3.15Å; S1447-V1456 WeakPolarHBondContact OG-CG2 3Å
1448V89.6Confident88.9Confident2 Ų233.6 Ų33.61%0.01218%0.183CC..Hα-helixtrans-64.2-52172.9174.60000111.3L1444 H1450 G1451 V1456 L1480 A1481 L1498L1444-V1448 HydrophobicContact CD1-CG2 4.17Å; L1444-V1448 HydrophobicContact CG-CG2 4.46Å; L1444-V1448 WeakPolarHBondContact O-CB 3.42Å; L1444-V1448 VanDerWaalsContact O-CG2 3.29Å; L1444-V1448 WeakPolarHBondContact O-CG2 3.44Å; L1444-V1448 PolarHBondContact O-N 2.96Å; V1448-H1450 PolarHBondContact O-N 3.12Å; V1448-H1450 VanDerWaalsContact O-N 3.08Å; V1448-G1451 PolarHBondContact O-N 3.39Å; V1448-V1456 HydrophobicContact CG2-CG1 4.35Å; V1448-V1456 HydrophobicContact CG2-CG2 3.64Å; V1448-L1480 HydrophobicContact CG1-CB 3.91Å; V1448-A1481 HydrophobicContact CG1-CB 3.7Å; V1448-A1481 VanDerWaalsContact CG1-N 3.33Å; V1448-L1498 HydrophobicContact CG2-CD2 3.93Å
1449S86Confident89.2Confident43 Ų4326.4 Ų26.430%0.30115%0.149SC..Hα-helixtrans-61.9-19.1-179.6-1800000113.8H1445 Y1446H1445-S1449 WeakPolarHBondContact O-CB 3.49Å; H1445-S1449 PolarHBondContact O-N 3.49Å; Y1446-S1449 PolarHBondContact O-N 3.47Å
1450H84.7Confident89.6Confident49 Ų4923.8 Ų23.823%0.22714%0.135CC..THydrogen-bonded Turntrans-98.8-3.1175.1-69.9-20.5000114.7R1407 Y1446 S1447 V1448 N1452R1407-H1450 HydrophobicContact CB-CB 4.01Å; R1407-H1450 HydrophobicContact CG-CB 4.13Å; R1407-H1450 PolarHBondContact N-CD2 2.82Å; Y1446-H1450 VanDerWaalsContact O-CB 3.26Å; Y1446-H1450 WeakPolarHBondContact O-CB 3.17Å; Y1446-H1450 PolarHBondContact O-CD2 2.92Å; Y1446-H1450 VanDerWaalsContact O-CG 3.25Å; Y1446-H1450 PolarHBondContact O-N 3.17Å; S1447-H1450 PolarHBondContact O-N 3.17Å; V1448-H1450 PolarHBondContact O-N 3.12Å; V1448-H1450 VanDerWaalsContact O-N 3.08Å; H1450-N1452 VanDerWaalsContact C-N 3.28Å; H1450-N1452 PolarHBondContact O-N 2.96Å
1451G84Confident89.7Confident38 Ų3824.6 Ų24.639%0.39214%0.14SC..THydrogen-bonded Turntrans67.324-176.500000114.1S1447 V1448 F1453S1447-G1451 PolarHBondContact O-N 3.04Å; V1448-G1451 PolarHBondContact O-N 3.39Å; G1451-F1453 WeakPolarHBondContact O-CD2 3.48Å; G1451-F1453 PolarHBondContact O-N 3.07Å
1452N87.6Confident89.5Confident19 Ų1925.3 Ų25.310%0.10215%0.145CC..  trans-89.176.3178.3-171-31.8000109.4A1409 S1447 H1450 D1454 V1455 V1456A1409-N1452 PolarHBondContact O-ND2 3.29Å; S1447-N1452 PolarHBondContact O-N 3.15Å; H1450-N1452 VanDerWaalsContact C-N 3.28Å; H1450-N1452 PolarHBondContact O-N 2.96Å; N1452-D1454 VanDerWaalsContact C-N 3.31Å; N1452-D1454 PolarHBondContact O-N 3.23Å; N1452-V1455 PolarHBondContact O-N 3Å; N1452-V1455 WeakPolarHBondContact OD1-CB 3.39Å; N1452-V1455 VanDerWaalsContact OD1-CG2 3.28Å; N1452-V1455 WeakPolarHBondContact OD1-CG2 3.44Å; N1452-V1455 PolarHBondContact OD1-N 3.46Å; N1452-V1456 WeakPolarHBondContact O-CG2 3.34Å; N1452-V1456 PolarHBondContact O-N 2.84Å; N1452-V1456 VanDerWaalsContact O-N 3.11Å
1453F89.7Confident89Confident13 Ų1333.1 Ų33.16%0.05718%0.179CC..Hα-helixtrans-70-24.4-172.5-66.4-76.2000113.7G1451 V1456 S1457 L1487 N1491 V1494 M1495G1451-F1453 WeakPolarHBondContact O-CD2 3.48Å; G1451-F1453 PolarHBondContact O-N 3.07Å; F1453-V1456 HydrophobicContact CD1-CG2 4.47Å; F1453-V1456 WeakPolarHBondContact O-CB 3.23Å; F1453-V1456 PolarHBondContact O-N 2.98Å; F1453-S1457 PolarHBondContact O-N 3.36Å; F1453-L1487 HydrophobicContact CZ-CD2 4.34Å; F1453-N1491 HydrophobicContact CB-CB 4.43Å; F1453-N1491 HydrophobicContact CD2-CB 3.6Å; F1453-N1491 VanDerWaalsContact CD2-ND2 3.3Å; F1453-N1491 WeakPolarHBondContact CD2-ND2 3.37Å; F1453-N1491 HydrophobicContact CE2-CB 3.9Å; F1453-N1491 HydrophobicContact CG-CB 3.93Å; F1453-V1494 HydrophobicContact CB-CB 4.26Å; F1453-V1494 HydrophobicContact CB-CG1 4.19Å; F1453-V1494 HydrophobicContact CB-CG2 4.41Å; F1453-V1494 HydrophobicContact CD1-CB 4.3Å; F1453-V1494 HydrophobicContact CD1-CG1 4.11Å; F1453-M1495 HydrophobicContact CD1-CG 4.22Å; F1453-M1495 HydrophobicContact CE1-CG 3.51Å; F1453-M1495 HydrophobicContact CE1-SD 3.6Å; F1453-M1495 HydrophobicContact CZ-CG 4.04Å; F1453-M1495 HydrophobicContact CZ-SD 3.9Å
1454D89.8Confident88.6Confident113 Ų11335.5 Ų35.560%0.60419%0.19SC*.Hα-helixtrans-61.3-46.3171.9-54.9-43.4000111A1411 N1452 V1456 S1457 L1458A1411-D1454 HydrophobicContact CB-CB 3.9Å; N1452-D1454 VanDerWaalsContact C-N 3.31Å; N1452-D1454 PolarHBondContact O-N 3.23Å; D1454-V1456 VanDerWaalsContact C-N 3.34Å; D1454-S1457 PolarHBondContact O-N 2.96Å; D1454-L1458 WeakPolarHBondContact O-CG 3.45Å; D1454-L1458 PolarHBondContact O-N 3.49Å
1455V91.3Very high88.4Confident0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-67.6-34.3173.9172.40000111.2A1404 A1409 A1411 V1414 N1452 L1459A1404-V1455 HydrophobicContact CB-CG1 4.49Å; A1409-V1455 HydrophobicContact CB-CG2 4.15Å; A1411-V1455 HydrophobicContact CB-CG2 4.33Å; V1414-V1455 HydrophobicContact CG1-CG1 4.42Å; V1414-V1455 HydrophobicContact CG2-CG2 4.24Å; N1452-V1455 PolarHBondContact O-N 3Å; N1452-V1455 WeakPolarHBondContact OD1-CB 3.39Å; N1452-V1455 VanDerWaalsContact OD1-CG2 3.28Å; N1452-V1455 WeakPolarHBondContact OD1-CG2 3.44Å; N1452-V1455 PolarHBondContact OD1-N 3.46Å; V1455-L1459 HydrophobicContact CG1-CD1 3.99Å; V1455-L1459 HydrophobicContact CG1-CG 4.39Å; V1455-L1459 VanDerWaalsContact O-CG 3.22Å; V1455-L1459 WeakPolarHBondContact O-CG 3.41Å; V1455-L1459 PolarHBondContact O-N 3.06Å; V1455-L1459 VanDerWaalsContact O-N 3.08Å
1456V91.8Very high88.3Confident0 Ų039.3 Ų39.30%021%0.209CC..Hα-helixtrans-62-46.6173.11760000111.2L1444 S1447 V1448 N1452 F1453 D1454 L1458 L1459 L1460 V1494L1444-V1456 HydrophobicContact CD1-CG1 4.06Å; L1444-V1456 HydrophobicContact CD1-CG2 4.39Å; S1447-V1456 WeakPolarHBondContact OG-CG2 3Å; V1448-V1456 HydrophobicContact CG2-CG1 4.35Å; V1448-V1456 HydrophobicContact CG2-CG2 3.64Å; N1452-V1456 WeakPolarHBondContact O-CG2 3.34Å; N1452-V1456 PolarHBondContact O-N 2.84Å; N1452-V1456 VanDerWaalsContact O-N 3.11Å; F1453-V1456 HydrophobicContact CD1-CG2 4.47Å; F1453-V1456 WeakPolarHBondContact O-CB 3.23Å; F1453-V1456 PolarHBondContact O-N 2.98Å; D1454-V1456 VanDerWaalsContact C-N 3.34Å; V1456-L1458 PolarHBondContact O-N 3.18Å; V1456-L1459 PolarHBondContact O-N 3.22Å; V1456-L1460 HydrophobicContact CG1-CD1 3.89Å; V1456-L1460 HydrophobicContact CG1-CG 4.3Å; V1456-L1460 WeakPolarHBondContact O-CG 3.43Å; V1456-L1460 PolarHBondContact O-N 3.44Å; V1456-V1494 HydrophobicContact CB-CG1 3.95Å; V1456-V1494 HydrophobicContact CG1-CG1 3.67Å
1457S92.5Very high88.4Confident31 Ų3137 Ų3722%0.21720%0.202CC..Hα-helixtrans-57.9-51.9177.5-169.30000110.7F1453 D1454 L1459 L1460 D1461 R1497F1453-S1457 PolarHBondContact O-N 3.36Å; D1454-S1457 PolarHBondContact O-N 2.96Å; S1457-L1459 PolarHBondContact O-N 3Å; S1457-L1459 VanDerWaalsContact O-N 3.15Å; S1457-L1460 CarbonylContact O-C 3.4Å; S1457-L1460 WeakPolarHBondContact O-CA 3.29Å; S1457-L1460 PolarHBondContact O-N 3.1Å; S1457-D1461 WeakPolarHBondContact O-CB 3.48Å; S1457-D1461 VanDerWaalsContact O-CG 3.24Å; S1457-D1461 PolarHBondContact O-N 3.33Å; S1457-D1461 PolarHBondContact OG-OD2 2.68Å; S1457-R1497 PolarHBondContact OG-NH1 3.37Å
1458L90.2Very high88.4Confident37 Ų3740 Ų4019%0.19422%0.218CC..Hα-helixtrans-56.6-33.2179-70.3172.7000113.6A1411 E1415 L1418 D1454 V1456 C1462A1411-L1458 HydrophobicContact CB-CD1 3.8Å; A1411-L1458 WeakPolarHBondContact O-CD1 3.48Å; E1415-L1458 HydrophobicContact CB-CD1 4Å; E1415-L1458 HydrophobicContact CB-CD2 4.12Å; E1415-L1458 HydrophobicContact CG-CD2 4.05Å; L1418-L1458 HydrophobicContact CD1-CB 4.37Å; D1454-L1458 WeakPolarHBondContact O-CG 3.45Å; D1454-L1458 PolarHBondContact O-N 3.49Å; V1456-L1458 PolarHBondContact O-N 3.18Å; L1458-C1462 PolarHBondContact O-N 2.98Å; L1458-C1462 PolarHBondContact O-SG 3.48Å
1459L91.1Very high88.2Confident1 Ų143.1 Ų43.11%0.00523%0.231CC..Hα-helixtrans-74.1-37.1175.3-69.3172.1000112.4W1400 V1433 A1443 L1444 V1455 V1456 S1457 C1465W1400-L1459 HydrophobicContact CH2-CD2 3.77Å; W1400-L1459 HydrophobicContact CZ2-CD2 3.63Å; V1433-L1459 HydrophobicContact CG1-CD2 4.24Å; A1443-L1459 HydrophobicContact CB-CD1 4.36Å; L1444-L1459 HydrophobicContact CB-CD1 4.16Å; L1444-L1459 HydrophobicContact CD1-CB 4.2Å; L1444-L1459 HydrophobicContact CD1-CD1 4.08Å; V1455-L1459 HydrophobicContact CG1-CD1 3.99Å; V1455-L1459 HydrophobicContact CG1-CG 4.39Å; V1455-L1459 VanDerWaalsContact O-CG 3.22Å; V1455-L1459 WeakPolarHBondContact O-CG 3.41Å; V1455-L1459 PolarHBondContact O-N 3.06Å; V1455-L1459 VanDerWaalsContact O-N 3.08Å; V1456-L1459 PolarHBondContact O-N 3.22Å; S1457-L1459 PolarHBondContact O-N 3Å; S1457-L1459 VanDerWaalsContact O-N 3.15Å; L1459-C1465 PolarHBondContact O-SG 3.34Å; L1459-C1465 VanDerWaalsContact O-SG 3.38Å
1460L90.1Very high88.2Confident0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-73.3-30.8174.5-64.5175.1000112.5V1456 S1457 C1462 K1463 V1467 R1497 L1498 M1501V1456-L1460 HydrophobicContact CG1-CD1 3.89Å; V1456-L1460 HydrophobicContact CG1-CG 4.3Å; V1456-L1460 WeakPolarHBondContact O-CG 3.43Å; V1456-L1460 PolarHBondContact O-N 3.44Å; S1457-L1460 CarbonylContact O-C 3.4Å; S1457-L1460 WeakPolarHBondContact O-CA 3.29Å; S1457-L1460 PolarHBondContact O-N 3.1Å; L1460-C1462 VanDerWaalsContact C-N 3.29Å; L1460-C1462 PolarHBondContact O-N 3.35Å; L1460-K1463 PolarHBondContact O-N 3.26Å; L1460-V1467 HydrophobicContact CD2-CG1 3.83Å; L1460-R1497 HydrophobicContact CD1-CG 4.24Å; L1460-R1497 PolarHBondContact O-NH2 2.82Å; L1460-L1498 HydrophobicContact CD1-CB 4.12Å; L1460-L1498 HydrophobicContact CD1-CD1 4.4Å; L1460-L1498 HydrophobicContact CD2-CD1 3.95Å; L1460-M1501 HydrophobicContact CB-CE 4.29Å; L1460-M1501 HydrophobicContact CB-SD 4.01Å; L1460-M1501 HydrophobicContact CD2-CE 3.89Å; L1460-M1501 HydrophobicContact CD2-SD 3.91Å; L1460-M1501 HydrophobicContact CG-SD 4.37Å
1461D89.5Confident88.2Confident83 Ų8341.2 Ų41.244%0.44422%0.221SC..Hα-helixtrans-65.1-32.4175.7-72.7-45.1000112S1457 K1463 R1497S1457-D1461 WeakPolarHBondContact O-CB 3.48Å; S1457-D1461 VanDerWaalsContact O-CG 3.24Å; S1457-D1461 PolarHBondContact O-N 3.33Å; S1457-D1461 PolarHBondContact OG-OD2 2.68Å; D1461-K1463 PolarHBondContact O-N 3.03Å; D1461-R1497 IonicContact OD1-CZ 3.56Å; D1461-R1497 IonicContact OD1-NH1 2.74Å; D1461-R1497 PolarHBondContact OD1-NH1 3.31Å; D1461-R1497 IonicContact OD1-NH2 3.07Å; D1461-R1497 PolarHBondContact OD1-NH2 2.9Å; D1461-R1497 IonicContact OD2-NH1 2.8Å
1462C85.5Confident88.1Confident28 Ų2845.1 Ų45.119%0.18923%0.228CC..THydrogen-bonded Turntrans-62.6-23173.2-70.70000114.4L1458 L1460 Q1464L1458-C1462 PolarHBondContact O-N 2.98Å; L1458-C1462 PolarHBondContact O-SG 3.48Å; L1460-C1462 VanDerWaalsContact C-N 3.29Å; L1460-C1462 PolarHBondContact O-N 3.35Å; C1462-Q1464 PolarHBondContact O-N 3.02Å
1463K81.6Confident87.5Confident168 Ų16844.6 Ų44.673%0.7323%0.226SC*.SBendtrans54.4-5.3-173.4-60.3-177-179-1780117.4L1460 D1461L1460-K1463 PolarHBondContact O-N 3.26Å; D1461-K1463 PolarHBondContact O-N 3.03Å
1464Q83.6Confident87.2Confident51 Ų5144 Ų4424%0.23822%0.224CC..  trans-86.3-4.8176.8-58.7-58.9-15.500113.9L1429 K1430 N1434 C1462L1429-Q1464 HydrophobicContact CD2-CG 4.05Å; L1429-Q1464 HydrophobicContact CG-CG 4.26Å; K1430-Q1464 HydrophobicContact CB-CB 4.01Å; K1430-Q1464 HydrophobicContact CB-CG 4.26Å; K1430-Q1464 HydrophobicContact CG-CB 4.32Å; N1434-Q1464 PolarHBondContact ND2-O 3.06Å; C1462-Q1464 PolarHBondContact O-N 3.02Å
1465C87.3Confident87.1Confident15 Ų1539.7 Ų39.710%0.10120%0.199CC..  trans-72.5129.2-173.654.10000113.4V1433 N1434 L1459 V1467V1433-C1465 HydrophobicContact CG1-CB 3.98Å; N1434-C1465 WeakPolarHBondContact OD1-CA 3.23Å; L1459-C1465 PolarHBondContact O-SG 3.34Å; L1459-C1465 VanDerWaalsContact O-SG 3.38Å; C1465-V1467 VanDerWaalsContact C-N 3.35Å; C1465-V1467 HydrophobicContact CB-CG1 4.44Å; C1465-V1467 PolarHBondContact O-N 3.26Å
1466E89.9Confident87Confident72 Ų7239.7 Ų39.734%0.33620%0.199SC..  trans-76.180.7172-83.5155.2-145.900110.5N1434 D1468 K1469N1434-E1466 HydrophobicContact CB-CB 4.38Å; N1434-E1466 HydrophobicContact CB-CG 4.35Å; N1434-E1466 VanDerWaalsContact CG-CD 3.49Å; N1434-E1466 VanDerWaalsContact ND2-CG 3.28Å; N1434-E1466 WeakPolarHBondContact ND2-CG 3.49Å; N1434-E1466 PolarHBondContact ND2-OE1 3.36Å; N1434-E1466 PolarHBondContact OD1-N 3.45Å; E1466-D1468 PolarHBondContact O-N 3.13Å; E1466-K1469 HydrophobicContact CB-CB 4.05Å; E1466-K1469 HydrophobicContact CB-CD 4.06Å; E1466-K1469 WeakPolarHBondContact OE2-CD 3.41Å; E1466-K1469 WeakPolarHBondContact OE2-CE 3.43Å; E1466-K1469 IonicContact OE2-NZ 3.98Å; E1466-K1469 PolarHBondContact OE2-NZ 2.89Å
1467V90.4Very high87Confident15 Ų1539.7 Ų39.79%0.09120%0.199CC..THydrogen-bonded Turntrans-69.3-25.9-176.9-630000114.7L1444 L1460 C1465 P1477 L1498 M1501 A1502L1444-V1467 HydrophobicContact CD2-CB 4.46Å; L1444-V1467 HydrophobicContact CD2-CG1 3.91Å; L1460-V1467 HydrophobicContact CD2-CG1 3.83Å; C1465-V1467 VanDerWaalsContact C-N 3.35Å; C1465-V1467 HydrophobicContact CB-CG1 4.44Å; C1465-V1467 PolarHBondContact O-N 3.26Å; V1467-P1477 VanDerWaalsContact O-CD 3.26Å; V1467-P1477 WeakPolarHBondContact O-CD 3.45Å; V1467-L1498 HydrophobicContact CG1-CD1 4.43Å; V1467-M1501 WeakPolarHBondContact CG2-O 3.18Å; V1467-A1502 HydrophobicContact CB-CB 4.09Å; V1467-A1502 HydrophobicContact CG2-CB 3.96Å
1468D90.3Very high86.9Confident63 Ų6338.2 Ų38.234%0.33719%0.189SC..THydrogen-bonded Turntrans-93.7-3.9-175.9-77.7-4000114E1466 P1470 T1476 A1502 N1503 I1506E1466-D1468 PolarHBondContact O-N 3.13Å; D1468-P1470 VanDerWaalsContact O-CD 3.27Å; D1468-P1470 WeakPolarHBondContact O-CD 3.19Å; D1468-T1476 WeakPolarHBondContact O-CG2 3.38Å; D1468-A1502 VanDerWaalsContact OD1-CA 3.32Å; D1468-A1502 WeakPolarHBondContact OD1-CA 3.33Å; D1468-N1503 PolarHBondContact OD1-N 2.91Å; D1468-N1503 WeakPolarHBondContact OD2-CB 3.38Å; D1468-I1506 HydrophobicContact CB-CD1 3.63Å
1469K85.6Confident86.9Confident66 Ų6636.5 Ų36.529%0.28718%0.18SC..  trans-76.1116.1-173.5-179.1170.8-177.7178.20109.9N1434 H1445 E1466N1434-K1469 PolarHBondContact O-NZ 2.63Å; H1445-K1469 PolarHBondContact CE1-O 2.72Å; H1445-K1469 PolarHBondContact NE2-O 2.77Å; E1466-K1469 HydrophobicContact CB-CB 4.05Å; E1466-K1469 HydrophobicContact CB-CD 4.06Å; E1466-K1469 WeakPolarHBondContact OE2-CD 3.41Å; E1466-K1469 WeakPolarHBondContact OE2-CE 3.43Å; E1466-K1469 IonicContact OE2-NZ 3.98Å; E1466-K1469 PolarHBondContact OE2-NZ 2.89Å
1470P86.8Confident86.8Confident41 Ų4137 Ų3727%0.26618%0.183SC..  trans-74.1148.4175.731.6-34.6000110.7D1468 G1474 Y1475 T1476D1468-P1470 VanDerWaalsContact O-CD 3.27Å; D1468-P1470 WeakPolarHBondContact O-CD 3.19Å; P1470-G1474 WeakPolarHBondContact CB-O 3.18Å; P1470-Y1475 CarbonylContact C-O 3.51Å; P1470-Y1475 VanDerWaalsContact CA-O 3.32Å; P1470-Y1475 WeakPolarHBondContact CA-O 3.36Å; P1470-T1476 HydrophobicContact CB-CG2 4.21Å
1471N84.5Confident86.8Confident11 Ų1137 Ų376%0.05918%0.183CC..  trans-74.3-178.6166.47411.6000111.7N1439 N1441 H1445 A1473 G1474 Y1475N1439-N1471 WeakPolarHBondContact O-CB 3.4Å; N1441-N1471 WeakPolarHBondContact OD1-CB 3.34Å; N1441-N1471 PolarHBondContact OD1-ND2 3.1Å; H1445-N1471 PolarHBondContact NE2-N 3.47Å; N1471-A1473 PolarHBondContact O-N 3.32Å; N1471-A1473 VanDerWaalsContact O-N 3.08Å; N1471-A1473 WeakPolarHBondContact OD1-CA 3.4Å; N1471-A1473 PolarHBondContact OD1-N 2.68Å; N1471-G1474 PolarHBondContact O-N 3.45Å; N1471-G1474 PolarHBondContact OD1-N 3.36Å; N1471-Y1475 PolarHBondContact N-O 2.79Å; N1471-Y1475 PolarHBondContact OD1-N 3.35Å; N1471-Y1475 VanDerWaalsContact OD1-N 3.16Å
1472K81.2Confident86.8Confident121 Ų12133 Ų3353%0.52616%0.161SC..THydrogen-bonded Turntrans-711.9-177.9-167.6169.4179.3172.90115.1E1438 N1439 D1440 T1511E1438-K1472 PolarHBondContact O-NZ 3.39Å; N1439-K1472 VanDerWaalsContact C-CB 3.49Å; N1439-K1472 WeakPolarHBondContact O-CB 3.44Å; N1439-K1472 PolarHBondContact O-N 3.22Å; D1440-K1472 HydrophobicContact CB-CB 4.38Å; K1472-T1511 PolarHBondContact O-OG1 3.23Å
1473A75.8Confident86.9Confident7 Ų732.1 Ų32.16%0.05816%0.155CC..THydrogen-bonded Turntrans-114.115.1167.800000112.1N1471 Y1475 M1514 L1517N1471-A1473 PolarHBondContact O-N 3.32Å; N1471-A1473 VanDerWaalsContact O-N 3.08Å; N1471-A1473 WeakPolarHBondContact OD1-CA 3.4Å; N1471-A1473 PolarHBondContact OD1-N 2.68Å; A1473-Y1475 VanDerWaalsContact C-N 3.31Å; A1473-Y1475 HydrophobicContact CB-CD2 4.08Å; A1473-Y1475 HydrophobicContact CB-CE2 4.48Å; A1473-Y1475 WeakPolarHBondContact O-CD2 3.23Å; A1473-Y1475 PolarHBondContact O-N 2.97Å; A1473-M1514 HydrophobicContact CB-SD 3.97Å; A1473-M1514 WeakPolarHBondContact O-CE 3.46Å; A1473-L1517 HydrophobicContact CB-CD1 3.75Å
1474G83.2Confident86.9Confident2 Ų225.4 Ų25.42%0.02113%0.129CC..SBendtrans82.8-5.4175.400000115.7P1470 N1471P1470-G1474 WeakPolarHBondContact CB-O 3.18Å; N1471-G1474 PolarHBondContact O-N 3.45Å; N1471-G1474 PolarHBondContact OD1-N 3.36Å
1475Y88Confident86.2Confident21 Ų2125.3 Ų25.38%0.08214%0.137CC..  trans-81.8128.9-178-72.1-87.1000112.1H1445 P1470 N1471 A1473 M1479 L1480 L1483 L1531 L1540H1445-Y1475 PolarHBondContact NE2-O 3.3Å; P1470-Y1475 CarbonylContact C-O 3.51Å; P1470-Y1475 VanDerWaalsContact CA-O 3.32Å; P1470-Y1475 WeakPolarHBondContact CA-O 3.36Å; N1471-Y1475 PolarHBondContact N-O 2.79Å; N1471-Y1475 PolarHBondContact OD1-N 3.35Å; N1471-Y1475 VanDerWaalsContact OD1-N 3.16Å; A1473-Y1475 VanDerWaalsContact C-N 3.31Å; A1473-Y1475 HydrophobicContact CB-CD2 4.08Å; A1473-Y1475 HydrophobicContact CB-CE2 4.48Å; A1473-Y1475 WeakPolarHBondContact O-CD2 3.23Å; A1473-Y1475 PolarHBondContact O-N 2.97Å; Y1475-M1479 HydrophobicContact CD1-CB 3.97Å; Y1475-L1480 HydrophobicContact CD1-CD2 4.37Å; Y1475-L1480 HydrophobicContact CG-CD2 4.33Å; Y1475-L1483 HydrophobicContact CE1-CD1 3.96Å; Y1475-L1531 HydrophobicContact CE2-CD2 4.41Å; Y1475-L1531 VanDerWaalsContact OH-CD2 3.24Å; Y1475-L1531 WeakPolarHBondContact OH-CD2 3.32Å; Y1475-L1540 HydrophobicContact CD1-CD1 4.2Å; Y1475-L1540 HydrophobicContact CE1-CD1 3.77Å; Y1475-L1540 HydrophobicContact CE1-CD2 4.33Å
1476T89.3Confident85.2Confident1 Ų132 Ų321%0.00617%0.172CC..  trans-84.7162.6165.471.40000111.2D1468 P1470 A1478 M1479 L1480 I1506D1468-T1476 WeakPolarHBondContact O-CG2 3.38Å; P1470-T1476 HydrophobicContact CB-CG2 4.21Å; T1476-A1478 PolarHBondContact O-N 3.21Å; T1476-A1478 PolarHBondContact OG1-N 2.86Å; T1476-M1479 HydrophobicContact CG2-SD 4.05Å; T1476-M1479 PolarHBondContact N-SD 2.85Å; T1476-M1479 VanDerWaalsContact N-SD 3.39Å; T1476-M1479 WeakPolarHBondContact O-CB 3.27Å; T1476-M1479 PolarHBondContact O-N 3.15Å; T1476-M1479 WeakPolarHBondContact OG1-CG 3.45Å; T1476-M1479 PolarHBondContact OG1-N 3.12Å; T1476-L1480 PolarHBondContact O-N 3.28Å; T1476-L1480 VanDerWaalsContact O-N 3.12Å; T1476-I1506 HydrophobicContact CG2-CB 4.28Å; T1476-I1506 HydrophobicContact CG2-CD1 4.19Å; T1476-I1506 HydrophobicContact CG2-CG2 3.75Å
1477P90.2Very high84.5Confident0 Ų030 Ų300%016%0.163CC..Hα-helixtrans-49.9-39.1168.9-30.135.5000114.5L1444 V1467 M1479 L1480 A1481L1444-P1477 HydrophobicContact CD2-CB 3.92Å; L1444-P1477 HydrophobicContact CD2-CG 3.91Å; L1444-P1477 HydrophobicContact CG-CB 3.99Å; L1444-P1477 HydrophobicContact CG-CG 4.13Å; V1467-P1477 VanDerWaalsContact O-CD 3.26Å; V1467-P1477 WeakPolarHBondContact O-CD 3.45Å; P1477-M1479 VanDerWaalsContact C-N 3.34Å; P1477-M1479 PolarHBondContact O-N 2.9Å; P1477-L1480 PolarHBondContact O-N 3.06Å; P1477-A1481 WeakPolarHBondContact O-CB 3.21Å; P1477-A1481 PolarHBondContact O-N 3.16Å
1478A90Very high84Confident0 Ų032.7 Ų32.70%018%0.179CC..Hα-helixtrans-64.4-36.9176.800000112.3T1476 A1481 A1482 F1499 A1502T1476-A1478 PolarHBondContact O-N 3.21Å; T1476-A1478 PolarHBondContact OG1-N 2.86Å; A1478-A1481 WeakPolarHBondContact O-CB 3.48Å; A1478-A1481 PolarHBondContact O-N 2.76Å; A1478-A1482 WeakPolarHBondContact O-CB 3.32Å; A1478-A1482 PolarHBondContact O-N 3.06Å; A1478-F1499 HydrophobicContact CB-CD1 4.15Å; A1478-F1499 HydrophobicContact CB-CE1 4.19Å; A1478-F1499 WeakPolarHBondContact O-CE1 3.33Å; A1478-A1502 HydrophobicContact CB-CB 4.02Å
1479M91.1Very high83.5Confident1 Ų135.7 Ų35.71%0.00520%0.196CC..Hα-helixtrans-70.9-34.4177.2-60.2164.4106.400111.8Y1475 T1476 P1477 A1481 L1483 T1508 Q1535 A1537 L1540Y1475-M1479 HydrophobicContact CD1-CB 3.97Å; T1476-M1479 HydrophobicContact CG2-SD 4.05Å; T1476-M1479 PolarHBondContact N-SD 2.85Å; T1476-M1479 VanDerWaalsContact N-SD 3.39Å; T1476-M1479 WeakPolarHBondContact O-CB 3.27Å; T1476-M1479 PolarHBondContact O-N 3.15Å; T1476-M1479 WeakPolarHBondContact OG1-CG 3.45Å; T1476-M1479 PolarHBondContact OG1-N 3.12Å; P1477-M1479 VanDerWaalsContact C-N 3.34Å; P1477-M1479 PolarHBondContact O-N 2.9Å; M1479-A1481 VanDerWaalsContact C-N 3.34Å; M1479-L1483 WeakPolarHBondContact O-CG 3.39Å; M1479-L1483 PolarHBondContact O-N 3.17Å; M1479-T1508 HydrophobicContact CE-CG2 3.37Å; M1479-T1508 HydrophobicContact SD-CG2 4.26Å; M1479-Q1535 WeakPolarHBondContact CE-O 3.4Å; M1479-A1537 HydrophobicContact CG-CB 4.01Å; M1479-L1540 HydrophobicContact CB-CD1 3.89Å; M1479-L1540 HydrophobicContact CE-CD1 3.99Å; M1479-L1540 HydrophobicContact CG-CD1 4.28Å
1480L88.5Confident83.3Confident11 Ų1137.2 Ų37.26%0.05821%0.211CC..Hα-helixtrans-67.7-34.9171.7-62.1176.3000111.9H1445 V1448 Y1475 T1476 P1477 W1521H1445-L1480 HydrophobicContact CB-CD1 3.89Å; V1448-L1480 HydrophobicContact CG1-CB 3.91Å; Y1475-L1480 HydrophobicContact CD1-CD2 4.37Å; Y1475-L1480 HydrophobicContact CG-CD2 4.33Å; T1476-L1480 PolarHBondContact O-N 3.28Å; T1476-L1480 VanDerWaalsContact O-N 3.12Å; P1477-L1480 PolarHBondContact O-N 3.06Å; L1480-W1521 HydrophobicContact CD2-CZ2 3.82Å
1481A90Very high83.3Confident0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-66.9-45.7174.700000111.7V1448 P1477 A1478 M1479 L1483 S1484 M1495 L1498 F1499V1448-A1481 HydrophobicContact CG1-CB 3.7Å; V1448-A1481 VanDerWaalsContact CG1-N 3.33Å; P1477-A1481 WeakPolarHBondContact O-CB 3.21Å; P1477-A1481 PolarHBondContact O-N 3.16Å; A1478-A1481 WeakPolarHBondContact O-CB 3.48Å; A1478-A1481 PolarHBondContact O-N 2.76Å; M1479-A1481 VanDerWaalsContact C-N 3.34Å; A1481-L1483 PolarHBondContact O-N 3.45Å; A1481-S1484 VanDerWaalsContact O-CB 3.28Å; A1481-S1484 WeakPolarHBondContact O-CB 3.33Å; A1481-S1484 PolarHBondContact O-N 3.45Å; A1481-S1484 PolarHBondContact O-OG 3.42Å; A1481-M1495 HydrophobicContact CB-CE 4.33Å; A1481-M1495 HydrophobicContact CB-SD 3.61Å; A1481-M1495 WeakPolarHBondContact O-CE 3.28Å; A1481-L1498 HydrophobicContact CB-CD2 3.64Å; A1481-F1499 HydrophobicContact CB-CE1 4Å; A1481-F1499 HydrophobicContact CB-CZ 4.01Å
1482A89.7Confident83.5Confident0 Ų039.9 Ų39.90%022%0.217CC..Hα-helixtrans-57.5-29.6177.500000113.8A1478 A1537 A1541 L1553A1478-A1482 WeakPolarHBondContact O-CB 3.32Å; A1478-A1482 PolarHBondContact O-N 3.06Å; A1482-A1537 HydrophobicContact CB-CB 4.25Å; A1482-A1537 WeakPolarHBondContact CB-O 3.4Å; A1482-A1541 HydrophobicContact CB-CB 4.34Å; A1482-L1553 HydrophobicContact CB-CD1 4.05Å
1483L87.6Confident83.9Confident9 Ų938.6 Ų38.65%0.04722%0.22CC..THydrogen-bonded Turntrans-86.9-6.6177.9-70.6171.3000114.6Y1475 M1479 A1481 W1521 L1540 H1544Y1475-L1483 HydrophobicContact CE1-CD1 3.96Å; M1479-L1483 WeakPolarHBondContact O-CG 3.39Å; M1479-L1483 PolarHBondContact O-N 3.17Å; A1481-L1483 PolarHBondContact O-N 3.45Å; L1483-W1521 HydrophobicContact CB-CH2 3.71Å; L1483-W1521 HydrophobicContact CB-CZ3 3.93Å; L1483-W1521 HydrophobicContact CD1-CH2 3.52Å; L1483-W1521 HydrophobicContact CD1-CZ2 3.99Å; L1483-W1521 HydrophobicContact CD1-CZ3 3.93Å; L1483-W1521 HydrophobicContact CG-CH2 4.24Å; L1483-W1521 HydrophobicContact CG-CZ3 4.45Å; L1483-L1540 HydrophobicContact CD1-CD1 4.37Å; L1483-L1540 HydrophobicContact CD1-CD2 4.43Å; L1483-L1540 HydrophobicContact CD2-CB 3.95Å; L1483-L1540 HydrophobicContact CD2-CD2 4.44Å; L1483-L1540 HydrophobicContact CG-CB 4.19Å; L1483-H1544 HydrophobicContact CD2-CB 4.18Å; L1483-H1544 WeakPolarHBondContact CD2-CD2 3.45Å
1484S82.2Confident84.6Confident26 Ų2639.3 Ų39.318%0.18222%0.223CC..  trans-64.3167.6-178.168.70000112.9A1481 M1495 K1546A1481-S1484 VanDerWaalsContact O-CB 3.28Å; A1481-S1484 WeakPolarHBondContact O-CB 3.33Å; A1481-S1484 PolarHBondContact O-N 3.45Å; A1481-S1484 PolarHBondContact O-OG 3.42Å; S1484-M1495 WeakPolarHBondContact OG-CE 3.32Å; S1484-K1546 WeakPolarHBondContact O-CD 3.38Å; S1484-K1546 VanDerWaalsContact O-CE 3.29Å; S1484-K1546 WeakPolarHBondContact O-CE 3.45Å; S1484-K1546 PolarHBondContact O-NZ 3.3Å
1485A68.1Low85Confident50 Ų5039.3 Ų39.341%0.41322%0.222SC..  trans-123153.4-179.700000110.7
1486D67.3Low85.1Confident156 Ų15641.3 Ų41.383%0.83423%0.232SC*.  trans52.770.7164.5-47.5-23000114T1488D1486-T1488 PolarHBondContact O-N 3.35Å
1487L74.3Confident85.2Confident28 Ų2844.2 Ų44.215%0.14724%0.243CC..  trans-75117.3177.7-71.1164.2000111.5F1453 N1491 M1495 D1548 M1552F1453-L1487 HydrophobicContact CZ-CD2 4.34Å; L1487-N1491 HydrophobicContact CD2-CB 4.11Å; L1487-M1495 HydrophobicContact CD1-CE 3.84Å; L1487-M1495 HydrophobicContact CD2-CE 3.79Å; L1487-M1495 HydrophobicContact CD2-CG 3.64Å; L1487-M1495 HydrophobicContact CD2-SD 4.1Å; L1487-M1495 HydrophobicContact CG-CE 4.32Å; L1487-D1548 HydrophobicContact CD1-CB 3.91Å; L1487-M1552 HydrophobicContact CD1-CE 3.56Å
1488T81.5Confident85.4Confident72 Ų7244.2 Ų44.244%0.44224%0.244SC..  trans-69.6156.5157.463.50000109.7D1486 T1490 N1491 R1492D1486-T1488 PolarHBondContact O-N 3.35Å; T1488-T1490 PolarHBondContact O-N 2.96Å; T1488-T1490 PolarHBondContact OG1-OG1 3.17Å; T1488-N1491 PolarHBondContact O-N 3.4Å; T1488-N1491 WeakPolarHBondContact OG1-CB 3.33Å; T1488-N1491 PolarHBondContact OG1-N 3.14Å; T1488-N1491 PolarHBondContact OG1-ND2 3.03Å; T1488-N1491 VanDerWaalsContact OG1-ND2 3.16Å; T1488-N1491 PolarHBondContact OG1-OD1 2.94Å; T1488-R1492 PolarHBondContact O-N 3.09Å
1489D79.1Confident85.5Confident126 Ų12644.4 Ų44.467%0.67424%0.244SC*.Hα-helixtrans-60.7-32-178.9-56.7-55000112.8R1492 V1493D1489-R1492 WeakPolarHBondContact O-CB 3.16Å; D1489-R1492 PolarHBondContact O-N 3.14Å; D1489-V1493 PolarHBondContact O-N 2.98Å
1490T81.2Confident85.6Confident99 Ų9950.4 Ų50.461%0.60727%0.272SS*.Hα-helixtrans-61.7-43.5171.356.40000112.2T1488 V1493 V1494T1488-T1490 PolarHBondContact O-N 2.96Å; T1488-T1490 PolarHBondContact OG1-OG1 3.17Å; T1490-V1493 PolarHBondContact O-N 3.41Å; T1490-V1494 PolarHBondContact O-N 3.25Å
1491N86.7Confident85.7Confident35 Ų3553.3 Ų53.319%0.18729%0.286CS..Hα-helixtrans-75.3-31.3-177-62.6-3.9000110.9F1453 L1487 T1488 V1493 V1494 M1495F1453-N1491 HydrophobicContact CB-CB 4.43Å; F1453-N1491 HydrophobicContact CD2-CB 3.6Å; F1453-N1491 VanDerWaalsContact CD2-ND2 3.3Å; F1453-N1491 WeakPolarHBondContact CD2-ND2 3.37Å; F1453-N1491 HydrophobicContact CE2-CB 3.9Å; F1453-N1491 HydrophobicContact CG-CB 3.93Å; L1487-N1491 HydrophobicContact CD2-CB 4.11Å; T1488-N1491 PolarHBondContact O-N 3.4Å; T1488-N1491 WeakPolarHBondContact OG1-CB 3.33Å; T1488-N1491 PolarHBondContact OG1-N 3.14Å; T1488-N1491 PolarHBondContact OG1-ND2 3.03Å; T1488-N1491 VanDerWaalsContact OG1-ND2 3.16Å; T1488-N1491 PolarHBondContact OG1-OD1 2.94Å; N1491-V1493 VanDerWaalsContact C-N 3.34Å; N1491-V1493 PolarHBondContact O-N 3.49Å; N1491-V1494 PolarHBondContact O-N 3.19Å; N1491-M1495 WeakPolarHBondContact O-CB 3.43Å; N1491-M1495 WeakPolarHBondContact O-CG 3.33Å; N1491-M1495 PolarHBondContact O-N 2.85Å
1492R88.6Confident85.7Confident72 Ų7253.7 Ų53.727%0.27229%0.29SS..Hα-helixtrans-55.9-45.1171.2-171.6-173.5-65-86.2-5.1111.5T1488 D1489 V1494 M1495 Q1496 D1548 M1552T1488-R1492 PolarHBondContact O-N 3.09Å; D1489-R1492 WeakPolarHBondContact O-CB 3.16Å; D1489-R1492 PolarHBondContact O-N 3.14Å; R1492-V1494 PolarHBondContact O-N 2.76Å; R1492-M1495 PolarHBondContact O-N 3.38Å; R1492-Q1496 WeakPolarHBondContact O-CB 3.34Å; R1492-Q1496 PolarHBondContact O-N 3.21Å; R1492-D1548 IonicContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact NH1-CG 3.29Å; R1492-D1548 IonicContact NH1-OD1 2.9Å; R1492-D1548 PolarHBondContact NH1-OD1 3.06Å; R1492-D1548 IonicContact NH2-OD1 3.9Å; R1492-D1548 PolarHBondContact NH2-OD1 2.8Å; R1492-D1548 IonicContact NH2-OD2 2.7Å; R1492-D1548 PolarHBondContact NH2-OD2 2.82Å; R1492-M1552 HydrophobicContact CG-CE 4.35Å; R1492-M1552 HydrophobicContact CG-SD 3.65Å
1493V89.4Confident85.8Confident95 Ų9557.5 Ų57.558%0.57631%0.31SS*.Hα-helixtrans-62.6-42.1177.2178.20000111.8D1489 T1490 N1491 Q1496 R1497D1489-V1493 PolarHBondContact O-N 2.98Å; T1490-V1493 PolarHBondContact O-N 3.41Å; N1491-V1493 VanDerWaalsContact C-N 3.34Å; N1491-V1493 PolarHBondContact O-N 3.49Å; V1493-Q1496 PolarHBondContact O-N 3.39Å; V1493-R1497 WeakPolarHBondContact O-CB 3.23Å; V1493-R1497 PolarHBondContact O-N 2.81Å
1494V91Very high85.9Confident22 Ų2257.3 Ų57.313%0.13331%0.31CS..Hα-helixtrans-67-37177.2-177.60000111.6F1453 V1456 T1490 N1491 R1492 L1498F1453-V1494 HydrophobicContact CB-CB 4.26Å; F1453-V1494 HydrophobicContact CB-CG1 4.19Å; F1453-V1494 HydrophobicContact CB-CG2 4.41Å; F1453-V1494 HydrophobicContact CD1-CB 4.3Å; F1453-V1494 HydrophobicContact CD1-CG1 4.11Å; V1456-V1494 HydrophobicContact CB-CG1 3.95Å; V1456-V1494 HydrophobicContact CG1-CG1 3.67Å; T1490-V1494 PolarHBondContact O-N 3.25Å; N1491-V1494 PolarHBondContact O-N 3.19Å; R1492-V1494 PolarHBondContact O-N 2.76Å; V1494-L1498 PolarHBondContact O-N 3.13Å
1495M90.4Very high86.3Confident1 Ų158.5 Ų58.51%0.00531%0.314CS..Hα-helixtrans-67.7-46174.6-70.2-103.8-64.700112.3F1453 A1481 S1484 L1487 N1491 R1492 R1497 L1498 F1499 M1552F1453-M1495 HydrophobicContact CD1-CG 4.22Å; F1453-M1495 HydrophobicContact CE1-CG 3.51Å; F1453-M1495 HydrophobicContact CE1-SD 3.6Å; F1453-M1495 HydrophobicContact CZ-CG 4.04Å; F1453-M1495 HydrophobicContact CZ-SD 3.9Å; A1481-M1495 HydrophobicContact CB-CE 4.33Å; A1481-M1495 HydrophobicContact CB-SD 3.61Å; A1481-M1495 WeakPolarHBondContact O-CE 3.28Å; S1484-M1495 WeakPolarHBondContact OG-CE 3.32Å; L1487-M1495 HydrophobicContact CD1-CE 3.84Å; L1487-M1495 HydrophobicContact CD2-CE 3.79Å; L1487-M1495 HydrophobicContact CD2-CG 3.64Å; L1487-M1495 HydrophobicContact CD2-SD 4.1Å; L1487-M1495 HydrophobicContact CG-CE 4.32Å; N1491-M1495 WeakPolarHBondContact O-CB 3.43Å; N1491-M1495 WeakPolarHBondContact O-CG 3.33Å; N1491-M1495 PolarHBondContact O-N 2.85Å; R1492-M1495 PolarHBondContact O-N 3.38Å; M1495-R1497 VanDerWaalsContact C-N 3.3Å; M1495-R1497 PolarHBondContact O-N 3.3Å; M1495-L1498 WeakPolarHBondContact O-CB 3.17Å; M1495-L1498 PolarHBondContact O-N 2.68Å; M1495-L1498 VanDerWaalsContact O-N 3.08Å; M1495-F1499 HydrophobicContact CB-CE2 4.33Å; M1495-F1499 HydrophobicContact CE-CE2 4.21Å; M1495-F1499 HydrophobicContact CE-CZ 4.18Å; M1495-F1499 WeakPolarHBondContact O-CD2 3.43Å; M1495-F1499 WeakPolarHBondContact O-CG 3.37Å; M1495-F1499 PolarHBondContact O-N 2.82Å; M1495-M1552 HydrophobicContact CB-CE 4.21Å; M1495-M1552 HydrophobicContact CB-SD 4.24Å; M1495-M1552 HydrophobicContact CE-CE 4.08Å
1496Q91.1Very high87.2Confident63 Ų6357.6 Ų57.629%0.29430%0.301SS..Hα-helixtrans-60.3-42.7176.8-160.3-175.338.800110.2R1492 V1493 L1498 F1499 Q1500 M1552 E1555R1492-Q1496 WeakPolarHBondContact O-CB 3.34Å; R1492-Q1496 PolarHBondContact O-N 3.21Å; V1493-Q1496 PolarHBondContact O-N 3.39Å; Q1496-L1498 PolarHBondContact O-N 2.92Å; Q1496-F1499 PolarHBondContact O-N 3.27Å; Q1496-Q1500 VanDerWaalsContact O-CG 3.31Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.23Å; Q1496-Q1500 PolarHBondContact O-N 2.85Å; Q1496-M1552 HydrophobicContact CB-SD 4.13Å; Q1496-E1555 PolarHBondContact NE2-OE2 3.46Å
1497R92.3Very high88.2Confident62 Ų6255 Ų5523%0.23428%0.28CS..Hα-helixtrans-60.9-39.6172-177.8-175.7171.4177.82.4113.1S1457 L1460 D1461 V1493 M1495 F1499 Q1500 M1501S1457-R1497 PolarHBondContact OG-NH1 3.37Å; L1460-R1497 HydrophobicContact CD1-CG 4.24Å; L1460-R1497 PolarHBondContact O-NH2 2.82Å; D1461-R1497 IonicContact OD1-CZ 3.56Å; D1461-R1497 IonicContact OD1-NH1 2.74Å; D1461-R1497 PolarHBondContact OD1-NH1 3.31Å; D1461-R1497 IonicContact OD1-NH2 3.07Å; D1461-R1497 PolarHBondContact OD1-NH2 2.9Å; D1461-R1497 IonicContact OD2-NH1 2.8Å; V1493-R1497 WeakPolarHBondContact O-CB 3.23Å; V1493-R1497 PolarHBondContact O-N 2.81Å; M1495-R1497 VanDerWaalsContact C-N 3.3Å; M1495-R1497 PolarHBondContact O-N 3.3Å; R1497-F1499 VanDerWaalsContact C-N 3.34Å; R1497-Q1500 PolarHBondContact O-N 3.14Å; R1497-M1501 HydrophobicContact CG-SD 4.19Å; R1497-M1501 WeakPolarHBondContact O-CG 3.48Å; R1497-M1501 PolarHBondContact O-N 2.9Å; R1497-M1501 VanDerWaalsContact O-N 3.12Å
1498L92.9Very high88.4Confident1 Ų154.1 Ų54.11%0.00528%0.276CS..Hα-helixtrans-63-41.7174.8177.863.7000111.1L1444 V1448 L1460 V1467 A1481 V1494 M1495 Q1496 M1501 A1502L1444-L1498 HydrophobicContact CD2-CD1 4.46Å; V1448-L1498 HydrophobicContact CG2-CD2 3.93Å; L1460-L1498 HydrophobicContact CD1-CB 4.12Å; L1460-L1498 HydrophobicContact CD1-CD1 4.4Å; L1460-L1498 HydrophobicContact CD2-CD1 3.95Å; V1467-L1498 HydrophobicContact CG1-CD1 4.43Å; A1481-L1498 HydrophobicContact CB-CD2 3.64Å; V1494-L1498 PolarHBondContact O-N 3.13Å; M1495-L1498 WeakPolarHBondContact O-CB 3.17Å; M1495-L1498 PolarHBondContact O-N 2.68Å; M1495-L1498 VanDerWaalsContact O-N 3.08Å; Q1496-L1498 PolarHBondContact O-N 2.92Å; L1498-M1501 PolarHBondContact O-N 2.9Å; L1498-A1502 VanDerWaalsContact O-CB 3.25Å; L1498-A1502 WeakPolarHBondContact O-CB 3.4Å; L1498-A1502 PolarHBondContact O-N 3.06Å
1499F93Very high87.6Confident3 Ų357.5 Ų57.51%0.01328%0.284CS..Hα-helixtrans-70.9-31.3176.2-60.6-43000113.4A1478 A1481 M1495 Q1496 R1497 M1501 A1502 V1504 M1552 L1553 N1556A1478-F1499 HydrophobicContact CB-CD1 4.15Å; A1478-F1499 HydrophobicContact CB-CE1 4.19Å; A1478-F1499 WeakPolarHBondContact O-CE1 3.33Å; A1481-F1499 HydrophobicContact CB-CE1 4Å; A1481-F1499 HydrophobicContact CB-CZ 4.01Å; M1495-F1499 HydrophobicContact CB-CE2 4.33Å; M1495-F1499 HydrophobicContact CE-CE2 4.21Å; M1495-F1499 HydrophobicContact CE-CZ 4.18Å; M1495-F1499 WeakPolarHBondContact O-CD2 3.43Å; M1495-F1499 WeakPolarHBondContact O-CG 3.37Å; M1495-F1499 PolarHBondContact O-N 2.82Å; Q1496-F1499 PolarHBondContact O-N 3.27Å; R1497-F1499 VanDerWaalsContact C-N 3.34Å; F1499-M1501 VanDerWaalsContact C-N 3.29Å; F1499-M1501 PolarHBondContact O-N 3.38Å; F1499-A1502 VanDerWaalsContact O-O 3.05Å; F1499-V1504 HydrophobicContact CB-CG1 4.02Å; F1499-V1504 HydrophobicContact CD1-CG1 4.11Å; F1499-V1504 HydrophobicContact CG-CG1 4.39Å; F1499-M1552 HydrophobicContact CD2-CB 3.93Å; F1499-M1552 HydrophobicContact CE2-CB 4.08Å; F1499-M1552 HydrophobicContact CE2-CE 4.22Å; F1499-L1553 HydrophobicContact CD1-CD2 3.66Å; F1499-L1553 HydrophobicContact CD2-CD2 4.36Å; F1499-L1553 HydrophobicContact CE1-CD2 3.68Å; F1499-L1553 HydrophobicContact CE1-CG 4.4Å; F1499-L1553 HydrophobicContact CE2-CD2 4.38Å; F1499-L1553 HydrophobicContact CE2-CG 4.4Å; F1499-L1553 HydrophobicContact CG-CD2 4.03Å; F1499-L1553 HydrophobicContact CZ-CD2 4.06Å; F1499-L1553 HydrophobicContact CZ-CG 4.29Å; F1499-N1556 HydrophobicContact CB-CB 4.02Å
1500Q91.9Very high86.4Confident127 Ų12757.5 Ų57.559%0.59328%0.28SS*.Hα-helixtrans-66.5-30.2170.9-72.9170.4-2.700112.7Q1496 R1497 N1556Q1496-Q1500 VanDerWaalsContact O-CG 3.31Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.23Å; Q1496-Q1500 PolarHBondContact O-N 2.85Å; R1497-Q1500 PolarHBondContact O-N 3.14Å; Q1500-N1556 WeakPolarHBondContact CA-OD1 3.29Å; Q1500-N1556 WeakPolarHBondContact CG-OD1 3.4Å; Q1500-N1556 PolarHBondContact N-OD1 3.13Å
1501M90.6Very high84.9Confident72 Ų7254.7 Ų54.736%0.35526%0.263SS..Hα-helixtrans-92.1-22.4-177.9-71.5-178.86000113.7L1460 V1467 R1497 L1498 F1499L1460-M1501 HydrophobicContact CB-CE 4.29Å; L1460-M1501 HydrophobicContact CB-SD 4.01Å; L1460-M1501 HydrophobicContact CD2-CE 3.89Å; L1460-M1501 HydrophobicContact CD2-SD 3.91Å; L1460-M1501 HydrophobicContact CG-SD 4.37Å; V1467-M1501 WeakPolarHBondContact CG2-O 3.18Å; R1497-M1501 HydrophobicContact CG-SD 4.19Å; R1497-M1501 WeakPolarHBondContact O-CG 3.48Å; R1497-M1501 PolarHBondContact O-N 2.9Å; R1497-M1501 VanDerWaalsContact O-N 3.12Å; L1498-M1501 PolarHBondContact O-N 2.9Å; F1499-M1501 VanDerWaalsContact C-N 3.29Å; F1499-M1501 PolarHBondContact O-N 3.38Å
1502A90.6Very high83.1Confident9 Ų963.2 Ų63.27%0.07430%0.302CS..SBendtrans-108.8148.4-174.800000112.6V1467 D1468 A1478 L1498 F1499 V1504V1467-A1502 HydrophobicContact CB-CB 4.09Å; V1467-A1502 HydrophobicContact CG2-CB 3.96Å; D1468-A1502 VanDerWaalsContact OD1-CA 3.32Å; D1468-A1502 WeakPolarHBondContact OD1-CA 3.33Å; A1478-A1502 HydrophobicContact CB-CB 4.02Å; L1498-A1502 VanDerWaalsContact O-CB 3.25Å; L1498-A1502 WeakPolarHBondContact O-CB 3.4Å; L1498-A1502 PolarHBondContact O-N 3.06Å; F1499-A1502 VanDerWaalsContact O-O 3.05Å; A1502-V1504 PolarHBondContact O-N 3.28Å
1503N91.2Very high81Confident79 Ų7962.2 Ų62.242%0.42231%0.314SS..  trans-74.893.8173.5-176.6-8.6000110.7D1468 N1505 I1506D1468-N1503 PolarHBondContact OD1-N 2.91Å; D1468-N1503 WeakPolarHBondContact OD2-CB 3.38Å; N1503-N1505 PolarHBondContact O-N 3.46Å; N1503-N1505 VanDerWaalsContact O-N 3.1Å; N1503-N1505 WeakPolarHBondContact OD1-CB 3.06Å; N1503-N1505 PolarHBondContact OD1-N 3.35Å; N1503-N1505 VanDerWaalsContact OD1-N 3.13Å; N1503-I1506 HydrophobicContact CB-CD1 3.87Å; N1503-I1506 HydrophobicContact CB-CG1 3.96Å; N1503-I1506 WeakPolarHBondContact O-CG1 3.45Å; N1503-I1506 PolarHBondContact O-N 3.02Å
1504V89.9Confident78.9Confident6 Ų659.4 Ų59.44%0.03630%0.295CS..THydrogen-bonded Turntrans-58-20178.6-650000114.4F1499 A1502 L1553 N1556 A1558F1499-V1504 HydrophobicContact CB-CG1 4.02Å; F1499-V1504 HydrophobicContact CD1-CG1 4.11Å; F1499-V1504 HydrophobicContact CG-CG1 4.39Å; A1502-V1504 PolarHBondContact O-N 3.28Å; V1504-L1553 HydrophobicContact CB-CD2 3.88Å; V1504-L1553 HydrophobicContact CG1-CD2 3.55Å; V1504-N1556 HydrophobicContact CG1-CB 4.45Å; V1504-A1558 HydrophobicContact CB-CB 4.46Å; V1504-A1558 HydrophobicContact CG2-CB 4Å
1505N91.5Very high76.4Confident50 Ų5062.6 Ų62.627%0.26732%0.324SS..THydrogen-bonded Turntrans-91.78-177-67-40000113.7N1503 R1507 G1557 A1558 D1559 L1562N1503-N1505 PolarHBondContact O-N 3.46Å; N1503-N1505 VanDerWaalsContact O-N 3.1Å; N1503-N1505 WeakPolarHBondContact OD1-CB 3.06Å; N1503-N1505 PolarHBondContact OD1-N 3.35Å; N1503-N1505 VanDerWaalsContact OD1-N 3.13Å; N1505-R1507 PolarHBondContact O-N 3.49Å; N1505-G1557 PolarHBondContact ND2-O 2.85Å; N1505-A1558 WeakPolarHBondContact OD1-CA 3.35Å; N1505-D1559 PolarHBondContact OD1-N 3.5Å; N1505-L1562 HydrophobicContact CB-CD1 3.9Å
1506I87.8Confident74Confident31 Ų3167.4 Ų67.416%0.15935%0.353CS..PPolyproline II helixtrans-66.4127.2171.2-68.3171.7000110.4D1468 T1476 N1503D1468-I1506 HydrophobicContact CB-CD1 3.63Å; T1476-I1506 HydrophobicContact CG2-CB 4.28Å; T1476-I1506 HydrophobicContact CG2-CD1 4.19Å; T1476-I1506 HydrophobicContact CG2-CG2 3.75Å; N1503-I1506 HydrophobicContact CB-CD1 3.87Å; N1503-I1506 HydrophobicContact CB-CG1 3.96Å; N1503-I1506 WeakPolarHBondContact O-CG1 3.45Å; N1503-I1506 PolarHBondContact O-N 3.02Å
1507R86.3Confident71.6Confident103 Ų10367.1 Ų67.139%0.38935%0.353SS..PPolyproline II helixtrans-85.3143.4171.5-65.7-169.7-171-172.6-1.7111.1N1505 K1509 G1534 Q1535 T1536 Q1563N1505-R1507 PolarHBondContact O-N 3.49Å; R1507-K1509 PolarHBondContact O-N 2.94Å; R1507-G1534 WeakPolarHBondContact CB-O 3.48Å; R1507-G1534 WeakPolarHBondContact CD-O 3.42Å; R1507-G1534 WeakPolarHBondContact CG-O 3.33Å; R1507-Q1535 CarbonylContact C-O 3.59Å; R1507-Q1535 WeakPolarHBondContact CA-O 3.33Å; R1507-T1536 HydrophobicContact CG-CG2 3.9Å; R1507-Q1563 PolarHBondContact NE-O 2.93Å; R1507-Q1563 PolarHBondContact NH1-O 3.07Å; R1507-Q1563 PolarHBondContact NH2-O 3.17Å
1508T79.8Confident69.2Low9 Ų967.9 Ų67.96%0.05536%0.361CS..PPolyproline II helixtrans-59.2125.217153.80000109.3M1479 G1534 Q1535M1479-T1508 HydrophobicContact CE-CG2 3.37Å; M1479-T1508 HydrophobicContact SD-CG2 4.26Å; T1508-G1534 VanDerWaalsContact O-CA 3.23Å; T1508-G1534 WeakPolarHBondContact O-CA 3.37Å; T1508-G1534 PolarHBondContact O-N 3.29Å; T1508-G1534 PolarHBondContact OG1-N 3.21Å; T1508-Q1535 PolarHBondContact N-O 3.18Å; T1508-Q1535 PolarHBondContact OG1-N 2.99Å; T1508-Q1535 VanDerWaalsContact OG1-N 3.12Å
1509K65.2Low66.4Low142 Ų14276.7 Ų76.762%0.61740%0.4SS*.PPolyproline II helixtrans-81.8138.6176.3-66.8-178.5178.2178.80109.8R1507 T1511R1507-K1509 PolarHBondContact O-N 2.94Å; K1509-T1511 PolarHBondContact O-N 2.99Å
1510Q52.9Low63.8Low126 Ų12682.1 Ų82.159%0.58942%0.423SS*.PPolyproline II helixtrans-50.4127.9167.6-81.2-165.11300111.2H1533 E1565Q1510-H1533 HydrophobicContact CG-CB 4.01Å; Q1510-E1565 VanDerWaalsContact CG-OE2 3.29Å; Q1510-E1565 WeakPolarHBondContact CG-OE2 3.46Å; Q1510-E1565 PolarHBondContact NE2-OE2 2.82Å
1511T50.1Low61.4Low40 Ų4079.7 Ų79.725%0.24541%0.409CS..  trans-129.5120.6169.354.20000107.8K1472 K1509 G1513K1472-T1511 PolarHBondContact O-OG1 3.23Å; K1509-T1511 PolarHBondContact O-N 2.99Å; T1511-G1513 PolarHBondContact O-N 2.91Å
1512E48.4Very low58.8Low214 Ų21480.4 Ų80.4100%141%0.413SS*.THydrogen-bonded Turntrans-6724.2-173.2-54.4-176133.800114.9
1513G44.5Very low56.6Low51 Ų5185.2 Ų85.253%0.52645%0.447SS..THydrogen-bonded Turntrans-141.418.6-16400000116.6T1511 A1515T1511-G1513 PolarHBondContact O-N 2.91Å; G1513-A1515 PolarHBondContact O-N 2.8Å
1514M45.1Very low54.3Low36 Ų3686.7 Ų86.718%0.17745%0.451CS..THydrogen-bonded Turntrans-56.22.9-173-75.2-63.8-152.400117.8A1473 V1516 L1531A1473-M1514 HydrophobicContact CB-SD 3.97Å; A1473-M1514 WeakPolarHBondContact O-CE 3.46Å; M1514-V1516 VanDerWaalsContact C-N 3.32Å; M1514-V1516 PolarHBondContact O-N 3.47Å; M1514-L1531 HydrophobicContact CB-CD1 4.46Å; M1514-L1531 HydrophobicContact CE-CB 4.17Å; M1514-L1531 HydrophobicContact CE-CD1 4.3Å; M1514-L1531 HydrophobicContact CG-CD1 4.49Å; M1514-L1531 HydrophobicContact SD-CD1 3.84Å
1515A38.9Very low51.9Low89 Ų8993.7 Ų93.774%0.73649%0.487SS*.THydrogen-bonded Turntrans-74.7-3.5-16900000116.6G1513G1513-A1515 PolarHBondContact O-N 2.8Å
1516V40Very low49.4Very low103 Ų10398 Ų9862%0.62451%0.51SS*.SBendtrans-112.1-40.9-165.8-175.30000114.7M1514 I1518M1514-V1516 VanDerWaalsContact C-N 3.32Å; M1514-V1516 PolarHBondContact O-N 3.47Å; V1516-I1518 VanDerWaalsContact C-N 3.32Å; V1516-I1518 PolarHBondContact O-N 3.36Å
1517L41.7Very low47.1Very low56 Ų56101.1 Ų101.129%0.29354%0.535SS..THydrogen-bonded Turntrans-81.2-6.2-172.3-87.9167.6000115.3A1473 F1519 F1520A1473-L1517 HydrophobicContact CB-CD1 3.75Å; L1517-F1519 PolarHBondContact O-N 2.95Å; L1517-F1520 PolarHBondContact O-N 2.97Å; L1517-F1520 VanDerWaalsContact O-N 3.08Å
1518I41.5Very low44.6Very low79 Ų79102 Ų10241%0.40555%0.547SS..Hα-helixtrans-48.5-34.5173.3-67.1171000112.2V1516 F1520 I1522V1516-I1518 VanDerWaalsContact C-N 3.32Å; V1516-I1518 PolarHBondContact O-N 3.36Å; I1518-F1520 VanDerWaalsContact C-N 3.32Å; I1518-F1520 PolarHBondContact O-N 3.49Å; I1518-I1522 HydrophobicContact CG2-CD1 3.43Å; I1518-I1522 VanDerWaalsContact CG2-CD1 3.43Å; I1518-I1522 HydrophobicContact CG2-CG1 4Å; I1518-I1522 WeakPolarHBondContact O-CB 3.48Å; I1518-I1522 WeakPolarHBondContact O-CG1 3.39Å; I1518-I1522 PolarHBondContact O-N 3.01Å
1519F33.2Very low42.8Very low186 Ų186111.2 Ų111.282%0.81658%0.582SS**Hα-helixtrans-70.8-16.8-177.5-104.6-75.9000115.9L1517L1517-F1519 PolarHBondContact O-N 2.95Å
1520F39.4Very low41.7Very low117 Ų117109.2 Ų109.251%0.51358%0.581SS.*Hα-helixtrans-87.7-37.4177.1-152.9-100.6000111.6L1517 I1518L1517-F1520 PolarHBondContact O-N 2.97Å; L1517-F1520 VanDerWaalsContact O-N 3.08Å; I1518-F1520 VanDerWaalsContact C-N 3.32Å; I1518-F1520 PolarHBondContact O-N 3.49Å
1521W41.2Very low41.4Very low75 Ų75105.9 Ų105.928%0.28457%0.567SS.*Hα-helixtrans-85.3-24.9-175.9-66.6102.2000114.5L1480 L1483 S1523 Q1524L1480-W1521 HydrophobicContact CD2-CZ2 3.82Å; L1483-W1521 HydrophobicContact CB-CH2 3.71Å; L1483-W1521 HydrophobicContact CB-CZ3 3.93Å; L1483-W1521 HydrophobicContact CD1-CH2 3.52Å; L1483-W1521 HydrophobicContact CD1-CZ2 3.99Å; L1483-W1521 HydrophobicContact CD1-CZ3 3.93Å; L1483-W1521 HydrophobicContact CG-CH2 4.24Å; L1483-W1521 HydrophobicContact CG-CZ3 4.45Å; W1521-S1523 PolarHBondContact O-N 3.15Å; W1521-Q1524 PolarHBondContact O-N 3.41Å
1522I36.5Very low41.6Very low87 Ų87106.3 Ų106.345%0.44657%0.566SS.*THydrogen-bonded Turntrans-56.8-15177.2-86.6-178.4000114.1I1518 Q1524 L1528I1518-I1522 HydrophobicContact CG2-CD1 3.43Å; I1518-I1522 VanDerWaalsContact CG2-CD1 3.43Å; I1518-I1522 HydrophobicContact CG2-CG1 4Å; I1518-I1522 WeakPolarHBondContact O-CB 3.48Å; I1518-I1522 WeakPolarHBondContact O-CG1 3.39Å; I1518-I1522 PolarHBondContact O-N 3.01Å; I1522-Q1524 PolarHBondContact O-N 3.09Å; I1522-L1528 HydrophobicContact CD1-CD1 4.05Å; I1522-L1528 HydrophobicContact CG1-CD1 4.43Å
1523S44.2Very low42.7Very low111 Ų11198.4 Ų98.478%0.77653%0.529SS*.THydrogen-bonded Turntrans-64.3-14.5170.8-163.40000114.1W1521W1521-S1523 PolarHBondContact O-N 3.15Å
1524Q42.8Very low44.4Very low110 Ų11096.1 Ų96.151%0.51451%0.505SS..SBendtrans-117.374.6168.9-67.8-1696.100111W1521 I1522W1521-Q1524 PolarHBondContact O-N 3.41Å; I1522-Q1524 PolarHBondContact O-N 3.09Å
1525L39.6Very low46.5Very low152 Ų15295.2 Ų95.280%0.79650%0.501SS*.  trans48.190.7150.6-65.4169.6000118.6S1527L1525-S1527 VanDerWaalsContact C-N 3.3Å; L1525-S1527 PolarHBondContact O-N 3.07Å
1526N39.1Very low49Very low142 Ų14291 Ų9176%0.75947%0.466SS*.  trans56.63.2132.7-92.67.2000122.2L1528N1526-L1528 PolarHBondContact O-N 2.95Å
1527S39.5Very low51.5Low95 Ų9586.1 Ų86.166%0.66444%0.436SS*.  trans-73.176.1164.5-161.50000109.6L1525 Y1529L1525-S1527 VanDerWaalsContact C-N 3.3Å; L1525-S1527 PolarHBondContact O-N 3.07Å; S1527-Y1529 PolarHBondContact O-N 3.29Å
1528L33.8Very low54Low123 Ų12383.4 Ų83.464%0.64442%0.422SS*.  trans-98.241.6-164.2-159.3107.8000113.1I1522 N1526I1522-L1528 HydrophobicContact CD1-CD1 4.05Å; I1522-L1528 HydrophobicContact CG1-CD1 4.43Å; N1526-L1528 PolarHBondContact O-N 2.95Å
1529Y40.7Very low56.4Low202 Ų20279.7 Ų79.779%0.79240%0.403SS*.SBendtrans-11174.7170-143.8-92.8000111.5S1527 L1531S1527-Y1529 PolarHBondContact O-N 3.29Å; Y1529-L1531 PolarHBondContact O-N 3.04Å
1530V41.6Very low59.2Low100 Ų10071 Ų7161%0.60637%0.365SS*.  trans3278.3158.5-164.90000116.9Q1532V1530-Q1532 PolarHBondContact O-N 3.24Å
1531L48.3Very low61.7Low55 Ų5565.5 Ų65.529%0.28834%0.341SS..  trans33.261.7143.6-64.7168.6000114.7Y1475 M1514 Y1529 H1533Y1475-L1531 HydrophobicContact CE2-CD2 4.41Å; Y1475-L1531 VanDerWaalsContact OH-CD2 3.24Å; Y1475-L1531 WeakPolarHBondContact OH-CD2 3.32Å; M1514-L1531 HydrophobicContact CB-CD1 4.46Å; M1514-L1531 HydrophobicContact CE-CB 4.17Å; M1514-L1531 HydrophobicContact CE-CD1 4.3Å; M1514-L1531 HydrophobicContact CG-CD1 4.49Å; M1514-L1531 HydrophobicContact SD-CD1 3.84Å; Y1529-L1531 PolarHBondContact O-N 3.04Å; L1531-H1533 PolarHBondContact O-CE1 3.48Å; L1531-H1533 VanDerWaalsContact O-CE1 3.28Å; L1531-H1533 PolarHBondContact O-N 3.36Å; L1531-H1533 PolarHBondContact O-ND1 3.23Å
1532Q53.6Low64.2Low50 Ų5061.9 Ų61.923%0.23433%0.327CS..  trans-55.8132.7-167.7-66.8168.1-80.700111.2V1530 Q1535 D1566V1530-Q1532 PolarHBondContact O-N 3.24Å; Q1532-Q1535 HydrophobicContact CB-CG 4.36Å; Q1532-Q1535 WeakPolarHBondContact O-CG 3.41Å; Q1532-D1566 VanDerWaalsContact CG-OD2 3.26Å; Q1532-D1566 WeakPolarHBondContact CG-OD2 3.24Å; Q1532-D1566 PolarHBondContact NE2-OD2 2.98Å
1533H70.9Confident66.8Low48 Ų4858.3 Ų58.322%0.22231%0.31CS..THydrogen-bonded Turntrans-79.9151-166-58-16000109.4Q1510 L1531 Q1535 E1565Q1510-H1533 HydrophobicContact CG-CB 4.01Å; L1531-H1533 PolarHBondContact O-CE1 3.48Å; L1531-H1533 VanDerWaalsContact O-CE1 3.28Å; L1531-H1533 PolarHBondContact O-N 3.36Å; L1531-H1533 PolarHBondContact O-ND1 3.23Å; H1533-Q1535 VanDerWaalsContact C-N 3.32Å; H1533-Q1535 PolarHBondContact O-N 3.34Å; H1533-E1565 HydrophobicContact CB-CB 4.16Å; H1533-E1565 VanDerWaalsContact CB-CD 3.45Å; H1533-E1565 HydrophobicContact CB-CG 4.2Å; H1533-E1565 WeakPolarHBondContact CB-OE2 3.49Å; H1533-E1565 WeakPolarHBondContact O-CB 3.47Å; H1533-E1565 PolarHBondContact O-N 3.36Å
1534G80.4Confident68.9Low2 Ų256.9 Ų56.92%0.02129%0.291CS..THydrogen-bonded Turntrans79.2-0.8-17600000116.8R1507 T1508R1507-G1534 WeakPolarHBondContact CB-O 3.48Å; R1507-G1534 WeakPolarHBondContact CD-O 3.42Å; R1507-G1534 WeakPolarHBondContact CG-O 3.33Å; T1508-G1534 VanDerWaalsContact O-CA 3.23Å; T1508-G1534 WeakPolarHBondContact O-CA 3.37Å; T1508-G1534 PolarHBondContact O-N 3.29Å; T1508-G1534 PolarHBondContact OG1-N 3.21Å
1535Q89.4Confident71.2Confident18 Ų1853 Ų538%0.08428%0.28CS..  trans-62.4146.1-179.3-76.8-175-15.500113.2M1479 R1507 T1508 Q1532 H1533 M1539 D1564M1479-Q1535 WeakPolarHBondContact CE-O 3.4Å; R1507-Q1535 CarbonylContact C-O 3.59Å; R1507-Q1535 WeakPolarHBondContact CA-O 3.33Å; T1508-Q1535 PolarHBondContact N-O 3.18Å; T1508-Q1535 PolarHBondContact OG1-N 2.99Å; T1508-Q1535 VanDerWaalsContact OG1-N 3.12Å; Q1532-Q1535 HydrophobicContact CB-CG 4.36Å; Q1532-Q1535 WeakPolarHBondContact O-CG 3.41Å; H1533-Q1535 VanDerWaalsContact C-N 3.32Å; H1533-Q1535 PolarHBondContact O-N 3.34Å; Q1535-M1539 HydrophobicContact CB-CB 4.48Å; Q1535-M1539 HydrophobicContact CB-SD 4.18Å; Q1535-M1539 HydrophobicContact CG-SD 4.21Å; Q1535-D1564 HydrophobicContact CG-CB 3.89Å; Q1535-D1564 WeakPolarHBondContact CG-OD2 3.32Å
1536T91.5Very high73.6Confident0 Ų047.5 Ų47.50%025%0.25CC..  trans-98.8170177.8640000112R1507 I1538 M1539 L1540 L1562R1507-T1536 HydrophobicContact CG-CG2 3.9Å; T1536-I1538 PolarHBondContact O-N 2.89Å; T1536-I1538 VanDerWaalsContact OG1-CG2 3.3Å; T1536-I1538 WeakPolarHBondContact OG1-CG2 3.36Å; T1536-M1539 HydrophobicContact CG2-CE 4.03Å; T1536-M1539 HydrophobicContact CG2-SD 4.07Å; T1536-M1539 PolarHBondContact N-SD 3.47Å; T1536-M1539 PolarHBondContact O-N 3.27Å; T1536-M1539 WeakPolarHBondContact OG1-CG 3.18Å; T1536-M1539 PolarHBondContact OG1-N 2.78Å; T1536-M1539 PolarHBondContact OG1-SD 3.42Å; T1536-M1539 VanDerWaalsContact OG1-SD 3.37Å; T1536-L1540 WeakPolarHBondContact O-CG 3.25Å; T1536-L1540 PolarHBondContact O-N 3.01Å; T1536-L1562 HydrophobicContact CG2-CB 4.16Å; T1536-L1562 HydrophobicContact CG2-CD1 3.84Å
1537A92Very high76.1Confident0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-58.8-35.117500000113M1479 A1482 A1541 L1553M1479-A1537 HydrophobicContact CG-CB 4.01Å; A1482-A1537 HydrophobicContact CB-CB 4.25Å; A1482-A1537 WeakPolarHBondContact CB-O 3.4Å; A1537-A1541 PolarHBondContact O-N 2.89Å; A1537-L1553 HydrophobicContact CB-CD1 4.09Å; A1537-L1553 HydrophobicContact CB-CD2 3.97Å; A1537-L1553 WeakPolarHBondContact O-CD1 3.44Å
1538I94.5Very high78.5Confident0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-77-33.8-179.1-172.4159.6000112.9T1536 A1541 A1542 V1550 L1553 I1554 A1558 V1560 A1570T1536-I1538 PolarHBondContact O-N 2.89Å; T1536-I1538 VanDerWaalsContact OG1-CG2 3.3Å; T1536-I1538 WeakPolarHBondContact OG1-CG2 3.36Å; I1538-A1541 PolarHBondContact O-N 3.02Å; I1538-A1542 WeakPolarHBondContact O-CB 3.06Å; I1538-A1542 PolarHBondContact O-N 3.42Å; I1538-V1550 HydrophobicContact CD1-CG1 4.34Å; I1538-V1550 HydrophobicContact CG1-CG1 4.44Å; I1538-L1553 HydrophobicContact CB-CB 4.45Å; I1538-L1553 HydrophobicContact CB-CD1 4.13Å; I1538-L1553 HydrophobicContact CD1-CB 4.44Å; I1538-I1554 HydrophobicContact CD1-CD1 4.24Å; I1538-I1554 HydrophobicContact CD1-CG1 3.67Å; I1538-A1558 HydrophobicContact CB-CB 4.19Å; I1538-A1558 HydrophobicContact CD1-CB 3.93Å; I1538-A1558 HydrophobicContact CG2-CB 4.24Å; I1538-V1560 HydrophobicContact CD1-CG1 3.75Å; I1538-A1570 HydrophobicContact CG1-CB 4.17Å; I1538-A1570 HydrophobicContact CG2-CB 4.26Å
1539M93.1Very high81.2Confident1 Ų136.4 Ų36.41%0.00518%0.183CC..Hα-helixtrans-62-44.1170.6-67.2158.1-175.700111.4Q1535 T1536 A1542 S1543 L1562 D1564 S1568 A1570Q1535-M1539 HydrophobicContact CB-CB 4.48Å; Q1535-M1539 HydrophobicContact CB-SD 4.18Å; Q1535-M1539 HydrophobicContact CG-SD 4.21Å; T1536-M1539 HydrophobicContact CG2-CE 4.03Å; T1536-M1539 HydrophobicContact CG2-SD 4.07Å; T1536-M1539 PolarHBondContact N-SD 3.47Å; T1536-M1539 PolarHBondContact O-N 3.27Å; T1536-M1539 WeakPolarHBondContact OG1-CG 3.18Å; T1536-M1539 PolarHBondContact OG1-N 2.78Å; T1536-M1539 PolarHBondContact OG1-SD 3.42Å; T1536-M1539 VanDerWaalsContact OG1-SD 3.37Å; M1539-A1542 PolarHBondContact O-N 3.42Å; M1539-S1543 PolarHBondContact O-N 2.91Å; M1539-S1543 PolarHBondContact O-OG 3.44Å; M1539-L1562 HydrophobicContact CE-CB 4.2Å; M1539-L1562 WeakPolarHBondContact CE-O 3.49Å; M1539-D1564 HydrophobicContact CE-CB 4.38Å; M1539-D1564 HydrophobicContact SD-CB 4Å; M1539-S1568 VanDerWaalsContact CE-O 3.27Å; M1539-S1568 WeakPolarHBondContact CE-O 3.29Å; M1539-A1570 HydrophobicContact CG-CB 4.32Å
1540L90.9Very high83.7Confident4 Ų426.8 Ų26.82%0.02115%0.145CC..Hα-helixtrans-64.4-39.9176.9-70.8169.9000112.4Y1475 M1479 L1483 T1536 A1542 S1543 H1544Y1475-L1540 HydrophobicContact CD1-CD1 4.2Å; Y1475-L1540 HydrophobicContact CE1-CD1 3.77Å; Y1475-L1540 HydrophobicContact CE1-CD2 4.33Å; M1479-L1540 HydrophobicContact CB-CD1 3.89Å; M1479-L1540 HydrophobicContact CE-CD1 3.99Å; M1479-L1540 HydrophobicContact CG-CD1 4.28Å; L1483-L1540 HydrophobicContact CD1-CD1 4.37Å; L1483-L1540 HydrophobicContact CD1-CD2 4.43Å; L1483-L1540 HydrophobicContact CD2-CB 3.95Å; L1483-L1540 HydrophobicContact CD2-CD2 4.44Å; L1483-L1540 HydrophobicContact CG-CB 4.19Å; T1536-L1540 WeakPolarHBondContact O-CG 3.25Å; T1536-L1540 PolarHBondContact O-N 3.01Å; L1540-A1542 VanDerWaalsContact C-N 3.35Å; L1540-S1543 PolarHBondContact O-OG 3.14Å; L1540-H1544 WeakPolarHBondContact O-CB 3.12Å; L1540-H1544 PolarHBondContact O-CD2 3.46Å; L1540-H1544 PolarHBondContact O-N 3.29Å
1541A92.3Very high86.2Confident0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-66-38.9172.700000111.8A1482 A1537 I1538 G1545 K1546 A1549 V1550 L1553A1482-A1541 HydrophobicContact CB-CB 4.34Å; A1537-A1541 PolarHBondContact O-N 2.89Å; I1538-A1541 PolarHBondContact O-N 3.02Å; A1541-G1545 PolarHBondContact O-N 3.02Å; A1541-K1546 HydrophobicContact CB-CB 4.14Å; A1541-K1546 WeakPolarHBondContact O-CB 3.39Å; A1541-K1546 PolarHBondContact O-N 3.16Å; A1541-A1549 HydrophobicContact CB-CB 3.9Å; A1541-V1550 HydrophobicContact CB-CG2 3.57Å; A1541-L1553 HydrophobicContact CB-CD1 3.97Å
1542A93.4Very high88.3Confident0 Ų021.6 Ų21.60%012%0.116CC..Hα-helixtrans-67.4-49.3-179.400000113I1538 M1539 L1540 H1544 G1545 C1573 A1574 H1579 I1582I1538-A1542 WeakPolarHBondContact O-CB 3.06Å; I1538-A1542 PolarHBondContact O-N 3.42Å; M1539-A1542 PolarHBondContact O-N 3.42Å; L1540-A1542 VanDerWaalsContact C-N 3.35Å; A1542-H1544 VanDerWaalsContact C-N 3.32Å; A1542-H1544 PolarHBondContact O-N 2.67Å; A1542-G1545 PolarHBondContact O-N 2.92Å; A1542-C1573 HydrophobicContact CB-CB 4.45Å; A1542-A1574 HydrophobicContact CB-CB 4.24Å; A1542-H1579 PolarHBondContact O-CD2 3.27Å; A1542-I1582 HydrophobicContact CB-CG2 4.18Å
1543S91.5Very high90.2Very high12 Ų1219.2 Ų19.28%0.08411%0.105CC..Hα-helixtrans-66.9-30178.959.60000113.3M1539 L1540 H1577 H1579M1539-S1543 PolarHBondContact O-N 2.91Å; M1539-S1543 PolarHBondContact O-OG 3.44Å; L1540-S1543 PolarHBondContact O-OG 3.14Å; S1543-H1577 WeakPolarHBondContact O-CB 3.39Å; S1543-H1577 PolarHBondContact O-CD2 2.83Å; S1543-H1577 VanDerWaalsContact O-CD2 3.26Å; S1543-H1579 PolarHBondContact O-CD2 3.19Å; S1543-H1579 PolarHBondContact O-NE2 2.98Å
1544H88.7Confident91.3Very high81 Ų8118.6 Ų18.638%0.37510%0.103SC..THydrogen-bonded Turntrans-91.29.4177.3-76-91.4000114.9L1483 L1540 A1542 K1546L1483-H1544 HydrophobicContact CD2-CB 4.18Å; L1483-H1544 WeakPolarHBondContact CD2-CD2 3.45Å; L1540-H1544 WeakPolarHBondContact O-CB 3.12Å; L1540-H1544 PolarHBondContact O-CD2 3.46Å; L1540-H1544 PolarHBondContact O-N 3.29Å; A1542-H1544 VanDerWaalsContact C-N 3.32Å; A1542-H1544 PolarHBondContact O-N 2.67Å; H1544-K1546 VanDerWaalsContact C-N 3.28Å; H1544-K1546 HydrophobicContact CB-CG 3.87Å; H1544-K1546 PolarHBondContact O-N 3.39Å
1545G90.3Very high91.9Very high28 Ų2824 Ų2429%0.28913%0.127SC..THydrogen-bonded Turntrans68.922.2174.900000114.7A1541 A1542 M1547 H1579A1541-G1545 PolarHBondContact O-N 3.02Å; A1542-G1545 PolarHBondContact O-N 2.92Å; G1545-M1547 VanDerWaalsContact C-N 3.33Å; G1545-M1547 PolarHBondContact O-N 3.28Å; G1545-H1579 WeakPolarHBondContact CA-CE1 3.38Å; G1545-H1579 WeakPolarHBondContact CA-ND1 3.09Å; G1545-H1579 PolarHBondContact N-NE2 3.42Å
1546K89.7Confident92Very high37 Ų3724.9 Ų24.916%0.16113%0.133CC..  trans-8570.5-170.6-56-62.4-176.2161.60111.8S1484 A1541 H1544 D1548 A1549 V1550S1484-K1546 WeakPolarHBondContact O-CD 3.38Å; S1484-K1546 VanDerWaalsContact O-CE 3.29Å; S1484-K1546 WeakPolarHBondContact O-CE 3.45Å; S1484-K1546 PolarHBondContact O-NZ 3.3Å; A1541-K1546 HydrophobicContact CB-CB 4.14Å; A1541-K1546 WeakPolarHBondContact O-CB 3.39Å; A1541-K1546 PolarHBondContact O-N 3.16Å; H1544-K1546 VanDerWaalsContact C-N 3.28Å; H1544-K1546 HydrophobicContact CB-CG 3.87Å; H1544-K1546 PolarHBondContact O-N 3.39Å; K1546-D1548 VanDerWaalsContact C-N 3.29Å; K1546-D1548 PolarHBondContact O-N 2.66Å; K1546-A1549 HydrophobicContact CB-CB 3.82Å; K1546-A1549 WeakPolarHBondContact O-CA 3.48Å; K1546-A1549 PolarHBondContact O-N 2.85Å; K1546-V1550 PolarHBondContact O-N 3.31Å
1547M91.2Very high92Very high58 Ų5827.3 Ų27.329%0.28616%0.158SC..Hα-helixtrans-49.8-45.9-175-168.470.2-93.100113.6G1545 A1549 V1550 T1551 E1581 I1582 L1585G1545-M1547 VanDerWaalsContact C-N 3.33Å; G1545-M1547 PolarHBondContact O-N 3.28Å; M1547-A1549 PolarHBondContact O-N 3.15Å; M1547-V1550 HydrophobicContact CE-CB 4.29Å; M1547-V1550 HydrophobicContact CE-CG1 4.39Å; M1547-V1550 PolarHBondContact O-N 2.94Å; M1547-T1551 PolarHBondContact O-N 2.94Å; M1547-T1551 PolarHBondContact O-OG1 3.28Å; M1547-E1581 HydrophobicContact SD-CB 4.22Å; M1547-I1582 HydrophobicContact CE-CG1 3.87Å; M1547-I1582 HydrophobicContact SD-CG1 3.71Å; M1547-L1585 HydrophobicContact CE-CB 3.88Å; M1547-L1585 HydrophobicContact CE-CD1 3.75Å; M1547-L1585 HydrophobicContact CE-CD2 3.85Å; M1547-L1585 HydrophobicContact CE-CG 4.03Å
1548D90.4Very high92Very high65 Ų6527.5 Ų27.535%0.34816%0.16SC..Hα-helixtrans-61.3-41.9176.2-76.8-41.1000113.3L1487 R1492 K1546 M1552L1487-D1548 HydrophobicContact CD1-CB 3.91Å; R1492-D1548 IonicContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact CZ-OD1 3.23Å; R1492-D1548 VanDerWaalsContact NH1-CG 3.29Å; R1492-D1548 IonicContact NH1-OD1 2.9Å; R1492-D1548 PolarHBondContact NH1-OD1 3.06Å; R1492-D1548 IonicContact NH2-OD1 3.9Å; R1492-D1548 PolarHBondContact NH2-OD1 2.8Å; R1492-D1548 IonicContact NH2-OD2 2.7Å; R1492-D1548 PolarHBondContact NH2-OD2 2.82Å; K1546-D1548 VanDerWaalsContact C-N 3.29Å; K1546-D1548 PolarHBondContact O-N 2.66Å; D1548-M1552 HydrophobicContact CB-CE 4.43Å; D1548-M1552 WeakPolarHBondContact O-CE 3.4Å; D1548-M1552 WeakPolarHBondContact O-CG 3.46Å; D1548-M1552 PolarHBondContact O-N 3.06Å
1549A91.2Very high91.9Very high4 Ų430.8 Ų30.83%0.03318%0.177CC..Hα-helixtrans-71.3-41.7179.800000111.2A1541 K1546 M1547 T1551 M1552 L1553A1541-A1549 HydrophobicContact CB-CB 3.9Å; K1546-A1549 HydrophobicContact CB-CB 3.82Å; K1546-A1549 WeakPolarHBondContact O-CA 3.48Å; K1546-A1549 PolarHBondContact O-N 2.85Å; M1547-A1549 PolarHBondContact O-N 3.15Å; A1549-T1551 VanDerWaalsContact C-N 3.33Å; A1549-T1551 PolarHBondContact O-N 3.09Å; A1549-M1552 PolarHBondContact O-N 2.82Å; A1549-L1553 VanDerWaalsContact O-CB 3.28Å; A1549-L1553 WeakPolarHBondContact O-CB 3.44Å; A1549-L1553 WeakPolarHBondContact O-CD1 3.48Å; A1549-L1553 WeakPolarHBondContact O-CG 3.4Å; A1549-L1553 PolarHBondContact O-N 3.2Å
1550V93.1Very high91.9Very high0 Ų030.8 Ų30.80%018%0.177CC..Hα-helixtrans-58-47.4173.9174.40000110.5I1538 A1541 K1546 M1547 L1553 I1554 I1582 L1585 L1586I1538-V1550 HydrophobicContact CD1-CG1 4.34Å; I1538-V1550 HydrophobicContact CG1-CG1 4.44Å; A1541-V1550 HydrophobicContact CB-CG2 3.57Å; K1546-V1550 PolarHBondContact O-N 3.31Å; M1547-V1550 HydrophobicContact CE-CB 4.29Å; M1547-V1550 HydrophobicContact CE-CG1 4.39Å; M1547-V1550 PolarHBondContact O-N 2.94Å; V1550-L1553 PolarHBondContact O-N 2.93Å; V1550-I1554 HydrophobicContact CG1-CD1 3.64Å; V1550-I1554 WeakPolarHBondContact O-CD1 3.32Å; V1550-I1554 WeakPolarHBondContact O-CG1 3.37Å; V1550-I1554 PolarHBondContact O-N 3.37Å; V1550-I1582 HydrophobicContact CG1-CG2 4.29Å; V1550-I1582 HydrophobicContact CG2-CD1 4.04Å; V1550-I1582 HydrophobicContact CG2-CG1 4.44Å; V1550-I1582 HydrophobicContact CG2-CG2 4.15Å; V1550-L1585 HydrophobicContact CG1-CD2 4.04Å; V1550-L1586 HydrophobicContact CG1-CD2 4.46Å
1551T93.5Very high92Very high43 Ų4332.4 Ų32.426%0.26419%0.186SC..Hα-helixtrans-59.9-52.2179.4-50.70000111.3M1547 A1549 L1553 I1554 E1555M1547-T1551 PolarHBondContact O-N 2.94Å; M1547-T1551 PolarHBondContact O-OG1 3.28Å; A1549-T1551 VanDerWaalsContact C-N 3.33Å; A1549-T1551 PolarHBondContact O-N 3.09Å; T1551-L1553 VanDerWaalsContact C-N 3.29Å; T1551-L1553 PolarHBondContact O-N 3.33Å; T1551-I1554 PolarHBondContact O-N 3.42Å; T1551-E1555 WeakPolarHBondContact O-CG 3.32Å; T1551-E1555 PolarHBondContact O-N 2.89Å
1552M92.6Very high92Very high3 Ų333.8 Ų33.82%0.01519%0.193CC..Hα-helixtrans-62.9-32.4177.6-72.8-175-72.600113.3L1487 R1492 M1495 Q1496 F1499 D1548 A1549 N1556L1487-M1552 HydrophobicContact CD1-CE 3.56Å; R1492-M1552 HydrophobicContact CG-CE 4.35Å; R1492-M1552 HydrophobicContact CG-SD 3.65Å; M1495-M1552 HydrophobicContact CB-CE 4.21Å; M1495-M1552 HydrophobicContact CB-SD 4.24Å; M1495-M1552 HydrophobicContact CE-CE 4.08Å; Q1496-M1552 HydrophobicContact CB-SD 4.13Å; F1499-M1552 HydrophobicContact CD2-CB 3.93Å; F1499-M1552 HydrophobicContact CE2-CB 4.08Å; F1499-M1552 HydrophobicContact CE2-CE 4.22Å; D1548-M1552 HydrophobicContact CB-CE 4.43Å; D1548-M1552 WeakPolarHBondContact O-CE 3.4Å; D1548-M1552 WeakPolarHBondContact O-CG 3.46Å; D1548-M1552 PolarHBondContact O-N 3.06Å; A1549-M1552 PolarHBondContact O-N 2.82Å; M1552-N1556 WeakPolarHBondContact O-CB 3.31Å; M1552-N1556 PolarHBondContact O-N 3.49Å; M1552-N1556 PolarHBondContact O-ND2 3.27Å
1553L94.4Very high91.9Very high0 Ų036.5 Ų36.50%021%0.206CC..Hα-helixtrans-69.5-40.4177.1-74.2166.9000111.2A1482 F1499 V1504 A1537 I1538 A1541 A1549 V1550 T1551 N1556 G1557 A1558A1482-L1553 HydrophobicContact CB-CD1 4.05Å; F1499-L1553 HydrophobicContact CD1-CD2 3.66Å; F1499-L1553 HydrophobicContact CD2-CD2 4.36Å; F1499-L1553 HydrophobicContact CE1-CD2 3.68Å; F1499-L1553 HydrophobicContact CE1-CG 4.4Å; F1499-L1553 HydrophobicContact CE2-CD2 4.38Å; F1499-L1553 HydrophobicContact CE2-CG 4.4Å; F1499-L1553 HydrophobicContact CG-CD2 4.03Å; F1499-L1553 HydrophobicContact CZ-CD2 4.06Å; F1499-L1553 HydrophobicContact CZ-CG 4.29Å; V1504-L1553 HydrophobicContact CB-CD2 3.88Å; V1504-L1553 HydrophobicContact CG1-CD2 3.55Å; A1537-L1553 HydrophobicContact CB-CD1 4.09Å; A1537-L1553 HydrophobicContact CB-CD2 3.97Å; A1537-L1553 WeakPolarHBondContact O-CD1 3.44Å; I1538-L1553 HydrophobicContact CB-CB 4.45Å; I1538-L1553 HydrophobicContact CB-CD1 4.13Å; I1538-L1553 HydrophobicContact CD1-CB 4.44Å; A1541-L1553 HydrophobicContact CB-CD1 3.97Å; A1549-L1553 VanDerWaalsContact O-CB 3.28Å; A1549-L1553 WeakPolarHBondContact O-CB 3.44Å; A1549-L1553 WeakPolarHBondContact O-CD1 3.48Å; A1549-L1553 WeakPolarHBondContact O-CG 3.4Å; A1549-L1553 PolarHBondContact O-N 3.2Å; V1550-L1553 PolarHBondContact O-N 2.93Å; T1551-L1553 VanDerWaalsContact C-N 3.29Å; T1551-L1553 PolarHBondContact O-N 3.33Å; L1553-N1556 CarbonylContact O-C 3.57Å; L1553-N1556 PolarHBondContact O-N 2.88Å; L1553-N1556 VanDerWaalsContact O-N 3.17Å; L1553-G1557 PolarHBondContact O-N 3.44Å; L1553-A1558 HydrophobicContact CB-CB 3.9Å; L1553-A1558 WeakPolarHBondContact O-CB 3.4Å; L1553-A1558 PolarHBondContact O-N 3.45Å
1554I93.8Very high91.8Very high34 Ų3436.3 Ų36.317%0.17420%0.204CC..Hα-helixtrans-64.8-44.1175.1-66.7158.3000110.9I1538 V1550 T1551 N1556 G1557 V1560 L1585 L1586 L1589I1538-I1554 HydrophobicContact CD1-CD1 4.24Å; I1538-I1554 HydrophobicContact CD1-CG1 3.67Å; V1550-I1554 HydrophobicContact CG1-CD1 3.64Å; V1550-I1554 WeakPolarHBondContact O-CD1 3.32Å; V1550-I1554 WeakPolarHBondContact O-CG1 3.37Å; V1550-I1554 PolarHBondContact O-N 3.37Å; T1551-I1554 PolarHBondContact O-N 3.42Å; I1554-N1556 PolarHBondContact O-N 2.82Å; I1554-G1557 PolarHBondContact O-N 3.26Å; I1554-V1560 HydrophobicContact CG1-CG1 4.31Å; I1554-L1585 HydrophobicContact CD1-CD2 3.38Å; I1554-L1586 HydrophobicContact CD1-CD2 4.18Å; I1554-L1589 HydrophobicContact CD1-CD1 3.93Å; I1554-L1589 HydrophobicContact CG1-CD1 4.25Å; I1554-L1589 HydrophobicContact CG2-CD1 4.24Å; I1554-L1589 HydrophobicContact CG2-CD2 3.92Å
1555E92.5Very high91.7Very high115 Ų11535.9 Ų35.954%0.53720%0.202SC..Hα-helixtrans-55-31.3172.6-72.2171.2-174.300112.8Q1496 T1551Q1496-E1555 PolarHBondContact NE2-OE2 3.46Å; T1551-E1555 WeakPolarHBondContact O-CG 3.32Å; T1551-E1555 PolarHBondContact O-N 2.89Å
1556N91.6Very high91.5Very high38 Ų3837.7 Ų37.720%0.20321%0.205CC..THydrogen-bonded Turntrans-96.217.7179.3-73.8-74.8000113.9F1499 Q1500 V1504 M1552 L1553 I1554F1499-N1556 HydrophobicContact CB-CB 4.02Å; Q1500-N1556 WeakPolarHBondContact CA-OD1 3.29Å; Q1500-N1556 WeakPolarHBondContact CG-OD1 3.4Å; Q1500-N1556 PolarHBondContact N-OD1 3.13Å; V1504-N1556 HydrophobicContact CG1-CB 4.45Å; M1552-N1556 WeakPolarHBondContact O-CB 3.31Å; M1552-N1556 PolarHBondContact O-N 3.49Å; M1552-N1556 PolarHBondContact O-ND2 3.27Å; L1553-N1556 CarbonylContact O-C 3.57Å; L1553-N1556 PolarHBondContact O-N 2.88Å; L1553-N1556 VanDerWaalsContact O-N 3.17Å; I1554-N1556 PolarHBondContact O-N 2.82Å
1557G90.6Very high91.5Very high50 Ų5036.2 Ų36.252%0.51520%0.2SC..THydrogen-bonded Turntrans76.330.417300000114.8N1505 L1553 I1554 D1559N1505-G1557 PolarHBondContact ND2-O 2.85Å; L1553-G1557 PolarHBondContact O-N 3.44Å; I1554-G1557 PolarHBondContact O-N 3.26Å; G1557-D1559 PolarHBondContact O-N 3.37Å
1558A92.7Very high91.6Very high5 Ų534.2 Ų34.24%0.04119%0.192CC..  trans-64127168.100000111V1504 N1505 I1538 L1553 V1560V1504-A1558 HydrophobicContact CB-CB 4.46Å; V1504-A1558 HydrophobicContact CG2-CB 4Å; N1505-A1558 WeakPolarHBondContact OD1-CA 3.35Å; I1538-A1558 HydrophobicContact CB-CB 4.19Å; I1538-A1558 HydrophobicContact CD1-CB 3.93Å; I1538-A1558 HydrophobicContact CG2-CB 4.24Å; L1553-A1558 HydrophobicContact CB-CB 3.9Å; L1553-A1558 WeakPolarHBondContact O-CB 3.4Å; L1553-A1558 PolarHBondContact O-N 3.45Å; A1558-V1560 PolarHBondContact O-N 2.88Å
1559D92.8Very high91.8Very high68 Ų6831.2 Ų31.236%0.36418%0.176SC..  trans-82109.6176.6178.11.8000109.6N1505 G1557 N1561 L1562N1505-D1559 PolarHBondContact OD1-N 3.5Å; G1557-D1559 PolarHBondContact O-N 3.37Å; D1559-N1561 VanDerWaalsContact C-N 3.28Å; D1559-N1561 PolarHBondContact O-N 2.86Å; D1559-N1561 PolarHBondContact OD1-N 2.98Å; D1559-L1562 HydrophobicContact CB-CD1 3.88Å; D1559-L1562 HydrophobicContact CB-CG 3.77Å
1560V92.6Very high91.9Very high1 Ų131 Ų311%0.00617%0.174CC..THydrogen-bonded Turntrans-71.7-19.2-176.9-68.90000113.7I1538 I1554 A1558 L1586 L1589 Q1591 I1592I1538-V1560 HydrophobicContact CD1-CG1 3.75Å; I1554-V1560 HydrophobicContact CG1-CG1 4.31Å; A1558-V1560 PolarHBondContact O-N 2.88Å; V1560-L1586 HydrophobicContact CB-CD2 4.27Å; V1560-L1586 HydrophobicContact CG1-CD2 3.61Å; V1560-L1589 HydrophobicContact CG1-CD1 3.73Å; V1560-L1589 HydrophobicContact CG2-CD1 4.26Å; V1560-Q1591 HydrophobicContact CG2-CG 4.32Å; V1560-I1592 HydrophobicContact CB-CD1 3.89Å; V1560-I1592 HydrophobicContact CG2-CD1 3.66Å
1561N93.4Very high92.1Very high39 Ų3931.1 Ų31.121%0.20918%0.175CC..THydrogen-bonded Turntrans-98.81.4-177.2-61.1-22.2000112.7D1559 Q1563 Q1591 D1593 M1596D1559-N1561 VanDerWaalsContact C-N 3.28Å; D1559-N1561 PolarHBondContact O-N 2.86Å; D1559-N1561 PolarHBondContact OD1-N 2.98Å; N1561-Q1563 PolarHBondContact O-N 3.16Å; N1561-Q1591 PolarHBondContact ND2-O 3.48Å; N1561-D1593 PolarHBondContact OD1-N 2.69Å; N1561-M1596 HydrophobicContact CB-SD 3.88Å
1562L92.6Very high92.1Very high28 Ų2829.2 Ų29.215%0.14716%0.163CC..  trans-57.6139.7166.7-67.2172.3000109.2N1505 T1536 M1539 D1559 T1569N1505-L1562 HydrophobicContact CB-CD1 3.9Å; T1536-L1562 HydrophobicContact CG2-CB 4.16Å; T1536-L1562 HydrophobicContact CG2-CD1 3.84Å; M1539-L1562 HydrophobicContact CE-CB 4.2Å; M1539-L1562 WeakPolarHBondContact CE-O 3.49Å; D1559-L1562 HydrophobicContact CB-CD1 3.88Å; D1559-L1562 HydrophobicContact CB-CG 3.77Å; L1562-T1569 WeakPolarHBondContact O-CA 3.36Å
1563Q91.4Very high92.2Very high58 Ų5829.1 Ų29.127%0.27116%0.162SC..  trans-106.2143.8173.7-65.1-176.1-75.200110.1R1507 N1561 G1567 S1568 T1569 M1596 V1597R1507-Q1563 PolarHBondContact NE-O 2.93Å; R1507-Q1563 PolarHBondContact NH1-O 3.07Å; R1507-Q1563 PolarHBondContact NH2-O 3.17Å; N1561-Q1563 PolarHBondContact O-N 3.16Å; Q1563-G1567 WeakPolarHBondContact CG-O 3.24Å; Q1563-G1567 PolarHBondContact NE2-O 2.93Å; Q1563-S1568 CarbonylContact C-O 3.42Å; Q1563-S1568 VanDerWaalsContact CA-O 3.31Å; Q1563-S1568 WeakPolarHBondContact CA-O 3.3Å; Q1563-T1569 HydrophobicContact CG-CG2 3.84Å; Q1563-M1596 HydrophobicContact CG-CE 3.72Å; Q1563-V1597 PolarHBondContact NE2-O 3.34Å
1564D89.4Confident92.2Very high7 Ų729.1 Ų29.14%0.03716%0.162CC..  trans-79.1-167.5171.768.811.4000112.6Q1535 M1539 D1566 G1567 S1568Q1535-D1564 HydrophobicContact CG-CB 3.89Å; Q1535-D1564 WeakPolarHBondContact CG-OD2 3.32Å; M1539-D1564 HydrophobicContact CE-CB 4.38Å; M1539-D1564 HydrophobicContact SD-CB 4Å; D1564-D1566 PolarHBondContact O-N 2.87Å; D1564-D1566 WeakPolarHBondContact OD1-CA 3.35Å; D1564-D1566 PolarHBondContact OD1-N 3.21Å; D1564-G1567 PolarHBondContact O-N 2.96Å; D1564-G1567 PolarHBondContact OD1-N 2.98Å; D1564-S1568 PolarHBondContact N-O 3.41Å; D1564-S1568 WeakPolarHBondContact OD1-CB 3.41Å; D1564-S1568 PolarHBondContact OD1-N 2.95Å; D1564-S1568 PolarHBondContact OD1-OG 3.02Å
1565E86.5Confident92.2Very high72 Ų7227.5 Ų27.534%0.33615%0.154SC..THydrogen-bonded Turntrans-74.9-8.5178-69.3177.9-156.400114Q1510 H1533 Q1599Q1510-E1565 VanDerWaalsContact CG-OE2 3.29Å; Q1510-E1565 WeakPolarHBondContact CG-OE2 3.46Å; Q1510-E1565 PolarHBondContact NE2-OE2 2.82Å; H1533-E1565 HydrophobicContact CB-CB 4.16Å; H1533-E1565 VanDerWaalsContact CB-CD 3.45Å; H1533-E1565 HydrophobicContact CB-CG 4.2Å; H1533-E1565 WeakPolarHBondContact CB-OE2 3.49Å; H1533-E1565 WeakPolarHBondContact O-CB 3.47Å; H1533-E1565 PolarHBondContact O-N 3.36Å; E1565-Q1599 PolarHBondContact O-NE2 3.39Å
1566D85.8Confident92.2Very high67 Ų6725.1 Ų25.136%0.35814%0.143SC..THydrogen-bonded Turntrans-98.6-5169.1-65.1-36.1000111.6Q1532 D1564 Q1599Q1532-D1566 VanDerWaalsContact CG-OD2 3.26Å; Q1532-D1566 WeakPolarHBondContact CG-OD2 3.24Å; Q1532-D1566 PolarHBondContact NE2-OD2 2.98Å; D1564-D1566 PolarHBondContact O-N 2.87Å; D1564-D1566 WeakPolarHBondContact OD1-CA 3.35Å; D1564-D1566 PolarHBondContact OD1-N 3.21Å; D1566-Q1599 VanDerWaalsContact O-CB 3.28Å; D1566-Q1599 WeakPolarHBondContact O-CB 3.39Å; D1566-Q1599 WeakPolarHBondContact O-CG 3.24Å; D1566-Q1599 PolarHBondContact O-N 3.24Å
1567G90.3Very high92.1Very high5 Ų526 Ų265%0.05215%0.146CC..  trans93.23.7-178.200000114.5Q1563 D1564Q1563-G1567 WeakPolarHBondContact CG-O 3.24Å; Q1563-G1567 PolarHBondContact NE2-O 2.93Å; D1564-G1567 PolarHBondContact O-N 2.96Å; D1564-G1567 PolarHBondContact OD1-N 2.98Å
1568S92.7Very high92.2Very high16 Ų1624.7 Ų24.711%0.11213%0.132CC..  trans-76.6133.5-172.8-48.60000112M1539 Q1563 D1564M1539-S1568 VanDerWaalsContact CE-O 3.27Å; M1539-S1568 WeakPolarHBondContact CE-O 3.29Å; Q1563-S1568 CarbonylContact C-O 3.42Å; Q1563-S1568 VanDerWaalsContact CA-O 3.31Å; Q1563-S1568 WeakPolarHBondContact CA-O 3.3Å; D1564-S1568 PolarHBondContact N-O 3.41Å; D1564-S1568 WeakPolarHBondContact OD1-CB 3.41Å; D1564-S1568 PolarHBondContact OD1-N 2.95Å; D1564-S1568 PolarHBondContact OD1-OG 3.02Å
1569T94Very high92.3Very high2 Ų227 Ų271%0.01214%0.142CC..  trans-93.6167.4170.769.30000111.9L1562 Q1563 L1571 M1572 C1573 M1596L1562-T1569 WeakPolarHBondContact O-CA 3.36Å; Q1563-T1569 HydrophobicContact CG-CG2 3.84Å; T1569-L1571 PolarHBondContact O-N 3.33Å; T1569-M1572 HydrophobicContact CG2-CE 4.38Å; T1569-M1572 HydrophobicContact CG2-SD 4.16Å; T1569-M1572 PolarHBondContact N-SD 3.49Å; T1569-M1572 WeakPolarHBondContact O-CB 3.34Å; T1569-M1572 PolarHBondContact O-N 2.95Å; T1569-M1572 WeakPolarHBondContact OG1-CG 3.42Å; T1569-M1572 PolarHBondContact OG1-N 3.1Å; T1569-C1573 PolarHBondContact O-N 2.85Å; T1569-C1573 PolarHBondContact O-SG 3.3Å; T1569-C1573 VanDerWaalsContact O-SG 3.34Å; T1569-M1596 HydrophobicContact CG2-CB 4.22Å; T1569-M1596 HydrophobicContact CG2-CE 4.38Å; T1569-M1596 HydrophobicContact CG2-SD 3.69Å
1570A94.5Very high92.3Very high1 Ų126.7 Ų26.71%0.00814%0.137CC..Hα-helixtrans-58.5-32.5175.800000113.1I1538 M1539 A1574 L1586I1538-A1570 HydrophobicContact CG1-CB 4.17Å; I1538-A1570 HydrophobicContact CG2-CB 4.26Å; M1539-A1570 HydrophobicContact CG-CB 4.32Å; A1570-A1574 WeakPolarHBondContact O-CB 3.48Å; A1570-A1574 PolarHBondContact O-N 3.35Å; A1570-L1586 HydrophobicContact CB-CD1 4.36Å
1571L96.1Very high92.3Very high1 Ų131.3 Ų31.31%0.00516%0.159CC..Hα-helixtrans-68.3-39.2174.7-176.568.2000112T1569 A1574 A1575 V1583 L1586 L1587 I1592 A1594 A1604T1569-L1571 PolarHBondContact O-N 3.33Å; L1571-A1574 PolarHBondContact O-N 2.96Å; L1571-A1575 WeakPolarHBondContact O-CB 3.43Å; L1571-A1575 PolarHBondContact O-N 3.37Å; L1571-V1583 HydrophobicContact CD1-CB 4.48Å; L1571-V1583 HydrophobicContact CD1-CG1 3.99Å; L1571-V1583 HydrophobicContact CD1-CG2 4.43Å; L1571-L1586 HydrophobicContact CB-CD1 4.35Å; L1571-L1586 HydrophobicContact CD1-CB 4.07Å; L1571-L1586 HydrophobicContact CD1-CD1 4.34Å; L1571-L1587 HydrophobicContact CD1-CD2 4.06Å; L1571-L1587 HydrophobicContact CD1-CG 4.11Å; L1571-L1587 HydrophobicContact CD2-CD2 3.98Å; L1571-I1592 HydrophobicContact CB-CD1 4.41Å; L1571-I1592 HydrophobicContact CD2-CG1 4.29Å; L1571-A1594 HydrophobicContact CD2-CB 3.76Å; L1571-A1604 HydrophobicContact CD2-CB 3.92Å; L1571-A1604 HydrophobicContact CG-CB 3.85Å
1572M94.7Very high92.4Very high3 Ų329.6 Ų29.62%0.01515%0.15CC..Hα-helixtrans-64.5-48175-66.2167175.500111T1569 A1574 A1575 E1576 M1596 D1598 A1604 I1607T1569-M1572 HydrophobicContact CG2-CE 4.38Å; T1569-M1572 HydrophobicContact CG2-SD 4.16Å; T1569-M1572 PolarHBondContact N-SD 3.49Å; T1569-M1572 WeakPolarHBondContact O-CB 3.34Å; T1569-M1572 PolarHBondContact O-N 2.95Å; T1569-M1572 WeakPolarHBondContact OG1-CG 3.42Å; T1569-M1572 PolarHBondContact OG1-N 3.1Å; M1572-A1574 VanDerWaalsContact C-N 3.31Å; M1572-A1574 PolarHBondContact O-N 3.41Å; M1572-A1575 PolarHBondContact O-N 2.91Å; M1572-A1575 VanDerWaalsContact O-N 3.1Å; M1572-E1576 WeakPolarHBondContact O-CB 3.47Å; M1572-E1576 PolarHBondContact O-N 3.08Å; M1572-M1596 VanDerWaalsContact CE-C 3.43Å; M1572-M1596 HydrophobicContact CE-CB 4.1Å; M1572-M1596 WeakPolarHBondContact CE-O 3.23Å; M1572-D1598 HydrophobicContact SD-CB 4.27Å; M1572-A1604 HydrophobicContact CG-CB 3.93Å; M1572-I1607 HydrophobicContact CB-CD1 3.7Å; M1572-I1607 HydrophobicContact CG-CD1 3.81Å; M1572-I1607 HydrophobicContact SD-CD1 4.42Å
1573C93.1Very high92.5Very high1 Ų128.3 Ų28.31%0.00714%0.143CC..Hα-helixtrans-58.7-40.5176.4-59.90000112.5A1542 T1569 H1577A1542-C1573 HydrophobicContact CB-CB 4.45Å; T1569-C1573 PolarHBondContact O-N 2.85Å; T1569-C1573 PolarHBondContact O-SG 3.3Å; T1569-C1573 VanDerWaalsContact O-SG 3.34Å; C1573-H1577 WeakPolarHBondContact O-CB 3.45Å; C1573-H1577 PolarHBondContact O-N 3.19Å; C1573-H1577 VanDerWaalsContact O-N 3.14Å; C1573-H1577 PolarHBondContact O-ND1 3.49Å
1574A94.9Very high92.6Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-67-37.4175.400000112.6A1542 A1570 L1571 M1572 G1578 H1579 I1582 V1583 L1586A1542-A1574 HydrophobicContact CB-CB 4.24Å; A1570-A1574 WeakPolarHBondContact O-CB 3.48Å; A1570-A1574 PolarHBondContact O-N 3.35Å; L1571-A1574 PolarHBondContact O-N 2.96Å; M1572-A1574 VanDerWaalsContact C-N 3.31Å; M1572-A1574 PolarHBondContact O-N 3.41Å; A1574-G1578 PolarHBondContact O-N 2.71Å; A1574-G1578 VanDerWaalsContact O-N 3.13Å; A1574-H1579 PolarHBondContact O-N 3.42Å; A1574-I1582 HydrophobicContact CB-CB 4.37Å; A1574-I1582 HydrophobicContact CB-CG2 3.82Å; A1574-V1583 HydrophobicContact CB-CG2 3.65Å; A1574-L1586 HydrophobicContact CB-CD1 4.35Å
1575A93.8Very high92.8Very high0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-71.9-38.2177.900000113L1571 M1572 A1604 I1607 A1608 Y1613 I1616 I1620L1571-A1575 WeakPolarHBondContact O-CB 3.43Å; L1571-A1575 PolarHBondContact O-N 3.37Å; M1572-A1575 PolarHBondContact O-N 2.91Å; M1572-A1575 VanDerWaalsContact O-N 3.1Å; A1575-A1604 HydrophobicContact CB-CB 4.49Å; A1575-I1607 HydrophobicContact CB-CG2 4.42Å; A1575-A1608 HydrophobicContact CB-CB 4.23Å; A1575-Y1613 WeakPolarHBondContact O-CD2 3.38Å; A1575-Y1613 WeakPolarHBondContact O-CE2 3.32Å; A1575-I1616 HydrophobicContact CB-CG2 4.08Å; A1575-I1620 HydrophobicContact CB-CD1 4.21Å
1576E92.3Very high93.2Very high66 Ų6628.9 Ų28.931%0.30814%0.143SC..Hα-helixtrans-64.5-42.2174.8-172-154.6176.400112M1572 I1607 Y1613M1572-E1576 WeakPolarHBondContact O-CB 3.47Å; M1572-E1576 PolarHBondContact O-N 3.08Å; E1576-I1607 HydrophobicContact CB-CG2 3.63Å; E1576-I1607 HydrophobicContact CG-CG2 4.25Å; E1576-Y1613 VanDerWaalsContact O-CE2 3.27Å; E1576-Y1613 WeakPolarHBondContact O-CE2 3.41Å
1577H91.1Very high93.6Very high57 Ų5726.4 Ų26.426%0.26413%0.129SC..THydrogen-bonded Turntrans-92.22.7-176.3-72.968.9000113.7S1543 C1573 H1579S1543-H1577 WeakPolarHBondContact O-CB 3.39Å; S1543-H1577 PolarHBondContact O-CD2 2.83Å; S1543-H1577 VanDerWaalsContact O-CD2 3.26Å; C1573-H1577 WeakPolarHBondContact O-CB 3.45Å; C1573-H1577 PolarHBondContact O-N 3.19Å; C1573-H1577 VanDerWaalsContact O-N 3.14Å; C1573-H1577 PolarHBondContact O-ND1 3.49Å; H1577-H1579 VanDerWaalsContact CB-CD2 3.45Å; H1577-H1579 WeakPolarHBondContact CB-CD2 3.5Å; H1577-H1579 WeakPolarHBondContact CB-NE2 3.48Å
1578G92.1Very high93.7Very high22 Ų2231.4 Ų31.423%0.22716%0.155CC..THydrogen-bonded Turntrans79.816.4172.100000116A1574 K1580 Y1613 I1616A1574-G1578 PolarHBondContact O-N 2.71Å; A1574-G1578 VanDerWaalsContact O-N 3.13Å; G1578-K1580 VanDerWaalsContact C-N 3.33Å; G1578-K1580 PolarHBondContact O-N 3.23Å; G1578-Y1613 VanDerWaalsContact CA-CZ 3.47Å; G1578-I1616 VanDerWaalsContact C-CD1 3.43Å
1579H93.5Very high93.6Very high53 Ų5331.9 Ų31.925%0.24516%0.156CC..  trans-84.370-171.8-63.3-61.1000113.1A1542 S1543 G1545 A1574 H1577 E1581 I1582 V1583A1542-H1579 PolarHBondContact O-CD2 3.27Å; S1543-H1579 PolarHBondContact O-CD2 3.19Å; S1543-H1579 PolarHBondContact O-NE2 2.98Å; G1545-H1579 WeakPolarHBondContact CA-CE1 3.38Å; G1545-H1579 WeakPolarHBondContact CA-ND1 3.09Å; G1545-H1579 PolarHBondContact N-NE2 3.42Å; A1574-H1579 PolarHBondContact O-N 3.42Å; H1577-H1579 VanDerWaalsContact CB-CD2 3.45Å; H1577-H1579 WeakPolarHBondContact CB-CD2 3.5Å; H1577-H1579 WeakPolarHBondContact CB-NE2 3.48Å; H1579-E1581 VanDerWaalsContact C-N 3.31Å; H1579-E1581 PolarHBondContact O-N 3.3Å; H1579-E1581 VanDerWaalsContact O-N 3.16Å; H1579-I1582 HydrophobicContact CB-CB 4.07Å; H1579-I1582 HydrophobicContact CB-CD1 4.05Å; H1579-I1582 HydrophobicContact CB-CG1 4.31Å; H1579-I1582 WeakPolarHBondContact O-CA 3.46Å; H1579-I1582 WeakPolarHBondContact O-CB 3.17Å; H1579-I1582 PolarHBondContact O-N 3.27Å; H1579-V1583 PolarHBondContact O-N 3.01Å
1580K93Very high93.2Very high61 Ų6138.1 Ų38.127%0.26520%0.197SC..Hα-helixtrans-46-44.3-176.7-175.4-175.2-171.9165.40115.7G1578 V1583 R1584 D1615 I1616 L1619G1578-K1580 VanDerWaalsContact C-N 3.33Å; G1578-K1580 PolarHBondContact O-N 3.23Å; K1580-V1583 PolarHBondContact O-N 2.8Å; K1580-R1584 WeakPolarHBondContact O-CG 3.44Å; K1580-R1584 PolarHBondContact O-N 3.45Å; K1580-D1615 WeakPolarHBondContact CD-OD2 3.46Å; K1580-D1615 WeakPolarHBondContact CE-OD2 3.47Å; K1580-D1615 IonicContact NZ-OD2 2.7Å; K1580-D1615 PolarHBondContact NZ-OD2 3.4Å; K1580-I1616 HydrophobicContact CB-CD1 4.2Å; K1580-I1616 HydrophobicContact CB-CG1 4.03Å; K1580-I1616 HydrophobicContact CG-CG1 4.3Å; K1580-L1619 HydrophobicContact CG-CD1 3.95Å
1581E93.4Very high92.9Very high99 Ų9942.8 Ų42.846%0.46322%0.218SC..Hα-helixtrans-72.9-31.4-177.5-52.5-50.6141.600112.1M1547 H1579 R1584 L1585M1547-E1581 HydrophobicContact SD-CB 4.22Å; H1579-E1581 VanDerWaalsContact C-N 3.31Å; H1579-E1581 PolarHBondContact O-N 3.3Å; H1579-E1581 VanDerWaalsContact O-N 3.16Å; E1581-R1584 PolarHBondContact O-N 3.46Å; E1581-R1584 IonicContact OE1-CZ 3.18Å; E1581-R1584 IonicContact OE1-NH1 2.73Å; E1581-R1584 PolarHBondContact OE1-NH1 3.49Å; E1581-R1584 VanDerWaalsContact OE2-CD 3.25Å; E1581-R1584 WeakPolarHBondContact OE2-CD 3.05Å; E1581-R1584 IonicContact OE2-CZ 3.61Å; E1581-R1584 IonicContact OE2-NE 3.99Å; E1581-R1584 IonicContact OE2-NH1 2.71Å; E1581-R1584 PolarHBondContact OE2-NH1 2.82Å; E1581-L1585 PolarHBondContact O-N 2.94Å
1582I94.9Very high92.8Very high3 Ų343.6 Ų43.62%0.01522%0.223CC..Hα-helixtrans-69.8-41.5170.4-66.2177.1000110.1A1542 M1547 V1550 A1574 H1579 R1584 L1585 L1586A1542-I1582 HydrophobicContact CB-CG2 4.18Å; M1547-I1582 HydrophobicContact CE-CG1 3.87Å; M1547-I1582 HydrophobicContact SD-CG1 3.71Å; V1550-I1582 HydrophobicContact CG1-CG2 4.29Å; V1550-I1582 HydrophobicContact CG2-CD1 4.04Å; V1550-I1582 HydrophobicContact CG2-CG1 4.44Å; V1550-I1582 HydrophobicContact CG2-CG2 4.15Å; A1574-I1582 HydrophobicContact CB-CB 4.37Å; A1574-I1582 HydrophobicContact CB-CG2 3.82Å; H1579-I1582 HydrophobicContact CB-CB 4.07Å; H1579-I1582 HydrophobicContact CB-CD1 4.05Å; H1579-I1582 HydrophobicContact CB-CG1 4.31Å; H1579-I1582 WeakPolarHBondContact O-CA 3.46Å; H1579-I1582 WeakPolarHBondContact O-CB 3.17Å; H1579-I1582 PolarHBondContact O-N 3.27Å; I1582-R1584 VanDerWaalsContact C-N 3.33Å; I1582-R1584 PolarHBondContact O-N 2.9Å; I1582-L1585 PolarHBondContact O-N 3.28Å; I1582-L1586 HydrophobicContact CG2-CD1 3.85Å; I1582-L1586 HydrophobicContact CG2-CG 4.25Å; I1582-L1586 WeakPolarHBondContact O-CB 3.17Å; I1582-L1586 VanDerWaalsContact O-CG 3.3Å; I1582-L1586 WeakPolarHBondContact O-CG 3.25Å; I1582-L1586 PolarHBondContact O-N 3.44Å
1583V95.4Very high92.6Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-58.9-44.3174171.40000111.1L1571 A1574 H1579 K1580 L1586 L1587 I1616 I1620L1571-V1583 HydrophobicContact CD1-CB 4.48Å; L1571-V1583 HydrophobicContact CD1-CG1 3.99Å; L1571-V1583 HydrophobicContact CD1-CG2 4.43Å; A1574-V1583 HydrophobicContact CB-CG2 3.65Å; H1579-V1583 PolarHBondContact O-N 3.01Å; K1580-V1583 PolarHBondContact O-N 2.8Å; V1583-L1586 PolarHBondContact O-N 3.39Å; V1583-L1587 HydrophobicContact CG1-CD1 3.68Å; V1583-L1587 HydrophobicContact CG1-CG 4.17Å; V1583-L1587 WeakPolarHBondContact O-CB 3.49Å; V1583-L1587 VanDerWaalsContact O-CG 3.23Å; V1583-L1587 WeakPolarHBondContact O-CG 3.29Å; V1583-L1587 PolarHBondContact O-N 3.06Å; V1583-I1616 HydrophobicContact CB-CG2 4.49Å; V1583-I1616 HydrophobicContact CG1-CG2 4.17Å; V1583-I1616 HydrophobicContact CG2-CD1 4.45Å; V1583-I1616 HydrophobicContact CG2-CG2 4.01Å; V1583-I1620 HydrophobicContact CG1-CD1 4.33Å; V1583-I1620 HydrophobicContact CG1-CG1 4Å
1584R94.2Very high92.5Very high98 Ų9846.6 Ų46.637%0.3724%0.239SC..Hα-helixtrans-56.5-55.8173.5-75.8168.4166.1172.4-7.7111.4K1580 E1581 I1582 L1586 L1587 D1588 L1619K1580-R1584 WeakPolarHBondContact O-CG 3.44Å; K1580-R1584 PolarHBondContact O-N 3.45Å; E1581-R1584 PolarHBondContact O-N 3.46Å; E1581-R1584 IonicContact OE1-CZ 3.18Å; E1581-R1584 IonicContact OE1-NH1 2.73Å; E1581-R1584 PolarHBondContact OE1-NH1 3.49Å; E1581-R1584 VanDerWaalsContact OE2-CD 3.25Å; E1581-R1584 WeakPolarHBondContact OE2-CD 3.05Å; E1581-R1584 IonicContact OE2-CZ 3.61Å; E1581-R1584 IonicContact OE2-NE 3.99Å; E1581-R1584 IonicContact OE2-NH1 2.71Å; E1581-R1584 PolarHBondContact OE2-NH1 2.82Å; I1582-R1584 VanDerWaalsContact C-N 3.33Å; I1582-R1584 PolarHBondContact O-N 2.9Å; R1584-L1586 PolarHBondContact O-N 3.24Å; R1584-L1587 CarbonylContact O-C 3.59Å; R1584-L1587 PolarHBondContact O-N 3.45Å; R1584-D1588 PolarHBondContact O-N 2.9Å; R1584-L1619 HydrophobicContact CG-CD1 3.92Å; R1584-L1619 HydrophobicContact CG-CD2 4.36Å
1585L93.6Very high92.2Very high51 Ų5150.2 Ų50.227%0.26726%0.264SS..Hα-helixtrans-62.8-29.2-176.8-174.5134.5000113.1M1547 V1550 I1554 E1581 I1582 L1589M1547-L1585 HydrophobicContact CE-CB 3.88Å; M1547-L1585 HydrophobicContact CE-CD1 3.75Å; M1547-L1585 HydrophobicContact CE-CD2 3.85Å; M1547-L1585 HydrophobicContact CE-CG 4.03Å; V1550-L1585 HydrophobicContact CG1-CD2 4.04Å; I1554-L1585 HydrophobicContact CD1-CD2 3.38Å; E1581-L1585 PolarHBondContact O-N 2.94Å; I1582-L1585 PolarHBondContact O-N 3.28Å; L1585-L1589 WeakPolarHBondContact O-CG 3.34Å
1586L94.4Very high92.1Very high0 Ų052 Ų520%027%0.273CS..Hα-helixtrans-74.1-40.6171.5-70.6173.1000112.5V1550 I1554 V1560 A1570 L1571 A1574 I1582 V1583 R1584 D1588 L1589 I1592V1550-L1586 HydrophobicContact CG1-CD2 4.46Å; I1554-L1586 HydrophobicContact CD1-CD2 4.18Å; V1560-L1586 HydrophobicContact CB-CD2 4.27Å; V1560-L1586 HydrophobicContact CG1-CD2 3.61Å; A1570-L1586 HydrophobicContact CB-CD1 4.36Å; L1571-L1586 HydrophobicContact CB-CD1 4.35Å; L1571-L1586 HydrophobicContact CD1-CB 4.07Å; L1571-L1586 HydrophobicContact CD1-CD1 4.34Å; A1574-L1586 HydrophobicContact CB-CD1 4.35Å; I1582-L1586 HydrophobicContact CG2-CD1 3.85Å; I1582-L1586 HydrophobicContact CG2-CG 4.25Å; I1582-L1586 WeakPolarHBondContact O-CB 3.17Å; I1582-L1586 VanDerWaalsContact O-CG 3.3Å; I1582-L1586 WeakPolarHBondContact O-CG 3.25Å; I1582-L1586 PolarHBondContact O-N 3.44Å; V1583-L1586 PolarHBondContact O-N 3.39Å; R1584-L1586 PolarHBondContact O-N 3.24Å; L1586-D1588 VanDerWaalsContact C-N 3.3Å; L1586-D1588 PolarHBondContact O-N 3Å; L1586-L1589 HydrophobicContact CD2-CD1 4.15Å; L1586-L1589 WeakPolarHBondContact O-CB 3.23Å; L1586-L1589 WeakPolarHBondContact O-CG 3.33Å; L1586-L1589 PolarHBondContact O-N 3.36Å; L1586-I1592 HydrophobicContact CB-CD1 4.32Å; L1586-I1592 WeakPolarHBondContact O-CB 3.5Å; L1586-I1592 WeakPolarHBondContact O-CG1 3.32Å
1587L93.3Very high92.1Very high16 Ų1652.2 Ų52.28%0.08428%0.279CS..Hα-helixtrans-72.6-19.8176.8-68176.1000113.5L1571 V1583 R1584 L1589 A1594 L1619 I1620 H1623L1571-L1587 HydrophobicContact CD1-CD2 4.06Å; L1571-L1587 HydrophobicContact CD1-CG 4.11Å; L1571-L1587 HydrophobicContact CD2-CD2 3.98Å; V1583-L1587 HydrophobicContact CG1-CD1 3.68Å; V1583-L1587 HydrophobicContact CG1-CG 4.17Å; V1583-L1587 WeakPolarHBondContact O-CB 3.49Å; V1583-L1587 VanDerWaalsContact O-CG 3.23Å; V1583-L1587 WeakPolarHBondContact O-CG 3.29Å; V1583-L1587 PolarHBondContact O-N 3.06Å; R1584-L1587 CarbonylContact O-C 3.59Å; R1584-L1587 PolarHBondContact O-N 3.45Å; L1587-L1589 VanDerWaalsContact C-N 3.25Å; L1587-A1594 HydrophobicContact CD2-CB 4Å; L1587-L1619 HydrophobicContact CD1-CB 4.26Å; L1587-I1620 HydrophobicContact CD1-CG1 3.97Å; L1587-H1623 HydrophobicContact CD1-CB 4.37Å; L1587-H1623 HydrophobicContact CD2-CB 4.22Å; L1587-H1623 PolarHBondContact O-CE1 3.38Å; L1587-H1623 PolarHBondContact O-ND1 2.88Å
1588D92Very high92.1Very high110 Ų11050.6 Ų50.659%0.58827%0.272SS*.THydrogen-bonded Turntrans-77.4-7.6172.4-73.6-38.7000112.8R1584 L1586R1584-D1588 PolarHBondContact O-N 2.9Å; L1586-D1588 VanDerWaalsContact C-N 3.3Å; L1586-D1588 PolarHBondContact O-N 3Å
1589L91.2Very high91.9Very high26 Ų2656.4 Ų56.414%0.13629%0.293CS..SBendtrans-82.8129.9177.3-54.7178000111.4I1554 V1560 L1585 L1586 L1587 Q1591 I1592I1554-L1589 HydrophobicContact CD1-CD1 3.93Å; I1554-L1589 HydrophobicContact CG1-CD1 4.25Å; I1554-L1589 HydrophobicContact CG2-CD1 4.24Å; I1554-L1589 HydrophobicContact CG2-CD2 3.92Å; V1560-L1589 HydrophobicContact CG1-CD1 3.73Å; V1560-L1589 HydrophobicContact CG2-CD1 4.26Å; L1585-L1589 WeakPolarHBondContact O-CG 3.34Å; L1586-L1589 HydrophobicContact CD2-CD1 4.15Å; L1586-L1589 WeakPolarHBondContact O-CB 3.23Å; L1586-L1589 WeakPolarHBondContact O-CG 3.33Å; L1586-L1589 PolarHBondContact O-N 3.36Å; L1587-L1589 VanDerWaalsContact C-N 3.25Å; L1589-Q1591 PolarHBondContact O-N 3.15Å; L1589-Q1591 VanDerWaalsContact O-N 3.13Å; L1589-I1592 HydrophobicContact CB-CB 4.47Å; L1589-I1592 VanDerWaalsContact O-CG2 3.23Å; L1589-I1592 WeakPolarHBondContact O-CG2 3.33Å; L1589-I1592 PolarHBondContact O-N 2.91Å
1590P86.8Confident91.5Very high133 Ų13362.7 Ų62.786%0.86432%0.323SS*.THydrogen-bonded Turntrans-70-11-177.929.9-36.9000114.5
1591Q88.1Confident91.3Very high98 Ų9862.2 Ų62.246%0.45834%0.335SS..THydrogen-bonded Turntrans-102.52178.974-82.29.200114.7V1560 N1561 L1589V1560-Q1591 HydrophobicContact CG2-CG 4.32Å; N1561-Q1591 PolarHBondContact ND2-O 3.48Å; L1589-Q1591 PolarHBondContact O-N 3.15Å; L1589-Q1591 VanDerWaalsContact O-N 3.13Å
1592I92.4Very high91.2Very high19 Ų1958.3 Ų58.310%0.09732%0.319CS..  trans-69.1137-178.6-16567000111.3V1560 L1571 L1586 L1589V1560-I1592 HydrophobicContact CB-CD1 3.89Å; V1560-I1592 HydrophobicContact CG2-CD1 3.66Å; L1571-I1592 HydrophobicContact CB-CD1 4.41Å; L1571-I1592 HydrophobicContact CD2-CG1 4.29Å; L1586-I1592 HydrophobicContact CB-CD1 4.32Å; L1586-I1592 WeakPolarHBondContact O-CB 3.5Å; L1586-I1592 WeakPolarHBondContact O-CG1 3.32Å; L1589-I1592 HydrophobicContact CB-CB 4.47Å; L1589-I1592 VanDerWaalsContact O-CG2 3.23Å; L1589-I1592 WeakPolarHBondContact O-CG2 3.33Å; L1589-I1592 PolarHBondContact O-N 2.91Å
1593D91.1Very high91.2Very high62 Ų6260 Ų6033%0.33233%0.329SS..  trans-108.893.5168.4-172.7-9.9000110N1561 S1595 M1596N1561-D1593 PolarHBondContact OD1-N 2.69Å; D1593-S1595 PolarHBondContact O-N 3.34Å; D1593-S1595 WeakPolarHBondContact OD1-CA 3.17Å; D1593-S1595 VanDerWaalsContact OD1-CB 3.29Å; D1593-S1595 WeakPolarHBondContact OD1-CB 3.43Å; D1593-S1595 PolarHBondContact OD1-N 2.94Å; D1593-S1595 PolarHBondContact OD1-OG 3.29Å; D1593-M1596 HydrophobicContact CB-CG 3.74Å; D1593-M1596 HydrophobicContact CB-SD 4.06Å; D1593-M1596 VanDerWaalsContact CG-CG 3.45Å; D1593-M1596 WeakPolarHBondContact O-CG 3.33Å; D1593-M1596 PolarHBondContact OD1-N 2.95Å; D1593-M1596 WeakPolarHBondContact OD2-CG 3.38Å
1594A90.6Very high91Very high5 Ų560 Ų604%0.04133%0.33CS..THydrogen-bonded Turntrans-74.9-3.317600000113.8L1571 L1587 I1620 L1624L1571-A1594 HydrophobicContact CD2-CB 3.76Å; L1587-A1594 HydrophobicContact CD2-CB 4Å; A1594-I1620 HydrophobicContact CB-CG2 4.48Å; A1594-L1624 HydrophobicContact CB-CD2 3.78Å; A1594-L1624 HydrophobicContact CB-CG 4.15Å
1595S89.2Confident91Very high75 Ų7557.3 Ų57.352%0.52432%0.322SS..THydrogen-bonded Turntrans-94.9-9-178.6800000114.2D1593D1593-S1595 PolarHBondContact O-N 3.34Å; D1593-S1595 WeakPolarHBondContact OD1-CA 3.17Å; D1593-S1595 VanDerWaalsContact OD1-CB 3.29Å; D1593-S1595 WeakPolarHBondContact OD1-CB 3.43Å; D1593-S1595 PolarHBondContact OD1-N 2.94Å; D1593-S1595 PolarHBondContact OD1-OG 3.29Å
1596M90.8Very high90.9Very high38 Ų3856.2 Ų56.219%0.18732%0.32CS..  trans-57.1152.9177.2-59.4-17180.400112.5N1561 Q1563 T1569 M1572 D1593N1561-M1596 HydrophobicContact CB-SD 3.88Å; Q1563-M1596 HydrophobicContact CG-CE 3.72Å; T1569-M1596 HydrophobicContact CG2-CB 4.22Å; T1569-M1596 HydrophobicContact CG2-CE 4.38Å; T1569-M1596 HydrophobicContact CG2-SD 3.69Å; M1572-M1596 VanDerWaalsContact CE-C 3.43Å; M1572-M1596 HydrophobicContact CE-CB 4.1Å; M1572-M1596 WeakPolarHBondContact CE-O 3.23Å; D1593-M1596 HydrophobicContact CB-CG 3.74Å; D1593-M1596 HydrophobicContact CB-SD 4.06Å; D1593-M1596 VanDerWaalsContact CG-CG 3.45Å; D1593-M1596 WeakPolarHBondContact O-CG 3.33Å; D1593-M1596 PolarHBondContact OD1-N 2.95Å; D1593-M1596 WeakPolarHBondContact OD2-CG 3.38Å
1597V92.1Very high90.8Very high71 Ų7157 Ų5743%0.4332%0.324SS..BIsolated β-bridgetrans-123.6144.1176.3-700000111.9Q1563 S1602 T1603Q1563-V1597 PolarHBondContact NE2-O 3.34Å; V1597-S1602 VanDerWaalsContact CA-O 3.27Å; V1597-S1602 WeakPolarHBondContact CA-O 3.45Å; V1597-T1603 HydrophobicContact CG1-CG2 3.58Å
1598D91.1Very high90.8Very high23 Ų2356.2 Ų56.212%0.12332%0.32CS..  trans-75.3-173.6169.962.836.1000112.5M1572 E1600 G1601 S1602M1572-D1598 HydrophobicContact SD-CB 4.27Å; D1598-E1600 VanDerWaalsContact C-N 3.35Å; D1598-E1600 WeakPolarHBondContact OD1-CA 3.25Å; D1598-E1600 WeakPolarHBondContact OD1-CB 3.36Å; D1598-E1600 PolarHBondContact OD1-N 3.02Å; D1598-G1601 PolarHBondContact O-N 3.46Å; D1598-G1601 PolarHBondContact OD1-N 2.91Å; D1598-S1602 PolarHBondContact N-O 3.12Å; D1598-S1602 PolarHBondContact OD1-N 3.15Å; D1598-S1602 WeakPolarHBondContact OD2-CB 3.27Å
1599Q88.8Confident90.8Very high144 Ų14455.4 Ų55.467%0.67332%0.319SS*.SBendtrans-75.9-16.3177.7-70.8-177.934.300114.9E1565 D1566 G1601E1565-Q1599 PolarHBondContact O-NE2 3.39Å; D1566-Q1599 VanDerWaalsContact O-CB 3.28Å; D1566-Q1599 WeakPolarHBondContact O-CB 3.39Å; D1566-Q1599 WeakPolarHBondContact O-CG 3.24Å; D1566-Q1599 PolarHBondContact O-N 3.24Å; Q1599-G1601 VanDerWaalsContact C-N 3.25Å
1600E86.1Confident90.9Very high185 Ų18560.9 Ų60.986%0.86434%0.344SS*.SBendtrans-79.8-15.3169.4-54-151.6153.600111.2D1598D1598-E1600 VanDerWaalsContact C-N 3.35Å; D1598-E1600 WeakPolarHBondContact OD1-CA 3.25Å; D1598-E1600 WeakPolarHBondContact OD1-CB 3.36Å; D1598-E1600 PolarHBondContact OD1-N 3.02Å
1601G88.6Confident91Very high50 Ų5058.6 Ų58.652%0.51532%0.324SS..SBendtrans94.211.5-178.300000113.1D1598 Q1599D1598-G1601 PolarHBondContact O-N 3.46Å; D1598-G1601 PolarHBondContact OD1-N 2.91Å; Q1599-G1601 VanDerWaalsContact C-N 3.25Å
1602S91.3Very high91.1Very high18 Ų1855.9 Ų55.913%0.12632%0.323CS..  trans-87139.2-177.5-95.50000111.6V1597 D1598V1597-S1602 VanDerWaalsContact CA-O 3.27Å; V1597-S1602 WeakPolarHBondContact CA-O 3.45Å; D1598-S1602 PolarHBondContact N-O 3.12Å; D1598-S1602 PolarHBondContact OD1-N 3.15Å; D1598-S1602 WeakPolarHBondContact OD2-CB 3.27Å
1603T93.3Very high91.1Very high38 Ų3859 Ų5923%0.23333%0.334CS..BIsolated β-bridgetrans-91.4164.5171.2560000109.9V1597 L1605 A1606 I1607V1597-T1603 HydrophobicContact CG1-CG2 3.58Å; T1603-L1605 PolarHBondContact O-N 2.91Å; T1603-L1605 VanDerWaalsContact O-N 3.1Å; T1603-A1606 WeakPolarHBondContact O-CA 3.44Å; T1603-A1606 WeakPolarHBondContact O-CB 3.35Å; T1603-A1606 PolarHBondContact O-N 3Å; T1603-A1606 PolarHBondContact OG1-N 3.28Å; T1603-I1607 WeakPolarHBondContact O-CG1 3.4Å; T1603-I1607 PolarHBondContact O-N 2.93Å
1604A92.6Very high91.1Very high1 Ų164.2 Ų64.21%0.00835%0.354CS..Hα-helixtrans-54.9-29.7170.800000113L1571 M1572 A1575 A1608 I1620L1571-A1604 HydrophobicContact CD2-CB 3.92Å; L1571-A1604 HydrophobicContact CG-CB 3.85Å; M1572-A1604 HydrophobicContact CG-CB 3.93Å; A1575-A1604 HydrophobicContact CB-CB 4.49Å; A1604-A1608 WeakPolarHBondContact O-CB 3.45Å; A1604-A1608 PolarHBondContact O-N 3.02Å; A1604-I1620 HydrophobicContact CB-CD1 4.01Å
1605L93.9Very high91.1Very high41 Ų4167.2 Ų67.222%0.21537%0.369CS..Hα-helixtrans-68.7-42.5172.3178.258.3000112.5T1603 V1609 G1617 I1620 Y1621 L1624T1603-L1605 PolarHBondContact O-N 2.91Å; T1603-L1605 VanDerWaalsContact O-N 3.1Å; L1605-V1609 HydrophobicContact CD1-CG2 4.36Å; L1605-V1609 WeakPolarHBondContact O-CG2 3.49Å; L1605-V1609 PolarHBondContact O-N 3.45Å; L1605-V1609 VanDerWaalsContact O-N 3.13Å; L1605-G1617 WeakPolarHBondContact CD1-O 3.31Å; L1605-I1620 HydrophobicContact CB-CG2 3.88Å; L1605-I1620 HydrophobicContact CD1-CB 4.47Å; L1605-Y1621 HydrophobicContact CD2-CD2 4.15Å; L1605-L1624 HydrophobicContact CD2-CD1 4.38Å
1606A92.2Very high91.3Very high27 Ų2763.7 Ų63.722%0.22334%0.344CS..Hα-helixtrans-62.2-50.7175.900000110.7T1603 A1608 V1609 E1610T1603-A1606 WeakPolarHBondContact O-CA 3.44Å; T1603-A1606 WeakPolarHBondContact O-CB 3.35Å; T1603-A1606 PolarHBondContact O-N 3Å; T1603-A1606 PolarHBondContact OG1-N 3.28Å; A1606-A1608 VanDerWaalsContact C-N 3.31Å; A1606-A1608 PolarHBondContact O-N 3.11Å; A1606-V1609 PolarHBondContact O-N 3.19Å; A1606-E1610 WeakPolarHBondContact O-CG 3.48Å; A1606-E1610 PolarHBondContact O-N 2.9Å
1607I92Very high91.4Very high17 Ų1762.1 Ų62.19%0.08734%0.338CS..Hα-helixtrans-56.1-43178.3-64.9169.8000111.6M1572 A1575 E1576 T1603 V1609 N1611M1572-I1607 HydrophobicContact CB-CD1 3.7Å; M1572-I1607 HydrophobicContact CG-CD1 3.81Å; M1572-I1607 HydrophobicContact SD-CD1 4.42Å; A1575-I1607 HydrophobicContact CB-CG2 4.42Å; E1576-I1607 HydrophobicContact CB-CG2 3.63Å; E1576-I1607 HydrophobicContact CG-CG2 4.25Å; T1603-I1607 WeakPolarHBondContact O-CG1 3.4Å; T1603-I1607 PolarHBondContact O-N 2.93Å; I1607-V1609 PolarHBondContact O-N 3.3Å; I1607-N1611 WeakPolarHBondContact O-CB 3.37Å; I1607-N1611 PolarHBondContact O-N 3.37Å; I1607-N1611 PolarHBondContact O-ND2 2.95Å
1608A93.6Very high91.4Very high0 Ų062.9 Ų62.90%034%0.339CS..Hα-helixtrans-64-37.617600000112.8A1575 A1604 A1606 G1612 Y1613 I1616 I1620A1575-A1608 HydrophobicContact CB-CB 4.23Å; A1604-A1608 WeakPolarHBondContact O-CB 3.45Å; A1604-A1608 PolarHBondContact O-N 3.02Å; A1606-A1608 VanDerWaalsContact C-N 3.31Å; A1606-A1608 PolarHBondContact O-N 3.11Å; A1608-G1612 CarbonylContact O-C 3.47Å; A1608-G1612 PolarHBondContact O-N 3.13Å; A1608-G1612 VanDerWaalsContact O-N 3.16Å; A1608-Y1613 PolarHBondContact O-N 3.45Å; A1608-I1616 HydrophobicContact CB-CB 4.28Å; A1608-I1616 HydrophobicContact CB-CG2 3.71Å; A1608-I1620 HydrophobicContact CB-CD1 4.31Å
1609V92.1Very high91.4Very high93 Ų9363 Ų6356%0.56434%0.34SS*.Hα-helixtrans-74.9-40.1179.2169.50000111.6L1605 A1606 I1607 G1612L1605-V1609 HydrophobicContact CD1-CG2 4.36Å; L1605-V1609 WeakPolarHBondContact O-CG2 3.49Å; L1605-V1609 PolarHBondContact O-N 3.45Å; L1605-V1609 VanDerWaalsContact O-N 3.13Å; A1606-V1609 PolarHBondContact O-N 3.19Å; I1607-V1609 PolarHBondContact O-N 3.3Å; V1609-G1612 WeakPolarHBondContact O-CA 3.46Å; V1609-G1612 PolarHBondContact O-N 3.5Å; V1609-G1612 VanDerWaalsContact O-N 3.13Å
1610E91.3Very high91.5Very high141 Ų14156.2 Ų56.266%0.65931%0.308SS*.Hα-helixtrans-68.3-42-179.8-72.3175.5167.800112.1A1606 G1612A1606-E1610 WeakPolarHBondContact O-CG 3.48Å; A1606-E1610 PolarHBondContact O-N 2.9Å; E1610-G1612 PolarHBondContact O-N 2.85Å
1611N90.4Very high91.7Very high84 Ų8450.3 Ų50.345%0.44928%0.278SS..THydrogen-bonded Turntrans-76.8-7.7171.3-68.4-72000113.3I1607 Y1613I1607-N1611 WeakPolarHBondContact O-CB 3.37Å; I1607-N1611 PolarHBondContact O-N 3.37Å; I1607-N1611 PolarHBondContact O-ND2 2.95Å; N1611-Y1613 HydrophobicContact CB-CD2 3.67Å; N1611-Y1613 HydrophobicContact CB-CE2 3.45Å; N1611-Y1613 VanDerWaalsContact CB-CE2 3.45Å
1612G89.6Confident91.7Very high42 Ų4249 Ų4943%0.43326%0.263SS..THydrogen-bonded Turntrans85.510.3171.200000116.2A1608 V1609 E1610 K1614A1608-G1612 CarbonylContact O-C 3.47Å; A1608-G1612 PolarHBondContact O-N 3.13Å; A1608-G1612 VanDerWaalsContact O-N 3.16Å; V1609-G1612 WeakPolarHBondContact O-CA 3.46Å; V1609-G1612 PolarHBondContact O-N 3.5Å; V1609-G1612 VanDerWaalsContact O-N 3.13Å; E1610-G1612 PolarHBondContact O-N 2.85Å; G1612-K1614 VanDerWaalsContact C-N 3.28Å; G1612-K1614 PolarHBondContact O-N 3.21Å
1613Y93.5Very high91.6Very high84 Ų8449.9 Ų49.933%0.32927%0.265SS..  trans-76.674.3176.6-55.5-68.1000111.5A1575 E1576 G1578 A1608 N1611 D1615 I1616 G1617A1575-Y1613 WeakPolarHBondContact O-CD2 3.38Å; A1575-Y1613 WeakPolarHBondContact O-CE2 3.32Å; E1576-Y1613 VanDerWaalsContact O-CE2 3.27Å; E1576-Y1613 WeakPolarHBondContact O-CE2 3.41Å; G1578-Y1613 VanDerWaalsContact CA-CZ 3.47Å; A1608-Y1613 PolarHBondContact O-N 3.45Å; N1611-Y1613 HydrophobicContact CB-CD2 3.67Å; N1611-Y1613 HydrophobicContact CB-CE2 3.45Å; N1611-Y1613 VanDerWaalsContact CB-CE2 3.45Å; Y1613-D1615 VanDerWaalsContact C-N 3.26Å; Y1613-D1615 PolarHBondContact O-N 3.04Å; Y1613-I1616 HydrophobicContact CG-CD1 4.19Å; Y1613-I1616 WeakPolarHBondContact O-CB 3.14Å; Y1613-I1616 PolarHBondContact O-N 2.9Å; Y1613-I1616 VanDerWaalsContact O-N 3.14Å; Y1613-G1617 PolarHBondContact O-N 2.83Å
1614K90.6Very high91.3Very high171 Ų17150 Ų5074%0.74326%0.264SS*.Hα-helixtrans-55.4-36.1-173.7-63.8175-173.4175.90114.1G1612 L1618G1612-K1614 VanDerWaalsContact C-N 3.28Å; G1612-K1614 PolarHBondContact O-N 3.21Å; K1614-L1618 WeakPolarHBondContact O-CB 3.49Å; K1614-L1618 WeakPolarHBondContact O-CG 3.47Å; K1614-L1618 PolarHBondContact O-N 3.38Å
1615D90.7Very high90.8Very high68 Ų6853.3 Ų53.336%0.36428%0.281SS..Hα-helixtrans-78.5-32.6-179.359.4-23.6000112.9K1580 Y1613 L1618 L1619K1580-D1615 WeakPolarHBondContact CD-OD2 3.46Å; K1580-D1615 WeakPolarHBondContact CE-OD2 3.47Å; K1580-D1615 IonicContact NZ-OD2 2.7Å; K1580-D1615 PolarHBondContact NZ-OD2 3.4Å; Y1613-D1615 VanDerWaalsContact C-N 3.26Å; Y1613-D1615 PolarHBondContact O-N 3.04Å; D1615-L1618 PolarHBondContact O-N 3.44Å; D1615-L1619 VanDerWaalsContact O-CG 3.31Å; D1615-L1619 WeakPolarHBondContact O-CG 3.36Å; D1615-L1619 PolarHBondContact O-N 3.32Å
1616I93.3Very high90Very high1 Ų156.5 Ų56.51%0.00530%0.295CS..Hα-helixtrans-64.6-47.8166.6-66.4-176.8000110.3A1575 G1578 K1580 V1583 A1608 Y1613 L1618 L1619 I1620A1575-I1616 HydrophobicContact CB-CG2 4.08Å; G1578-I1616 VanDerWaalsContact C-CD1 3.43Å; K1580-I1616 HydrophobicContact CB-CD1 4.2Å; K1580-I1616 HydrophobicContact CB-CG1 4.03Å; K1580-I1616 HydrophobicContact CG-CG1 4.3Å; V1583-I1616 HydrophobicContact CB-CG2 4.49Å; V1583-I1616 HydrophobicContact CG1-CG2 4.17Å; V1583-I1616 HydrophobicContact CG2-CD1 4.45Å; V1583-I1616 HydrophobicContact CG2-CG2 4.01Å; A1608-I1616 HydrophobicContact CB-CB 4.28Å; A1608-I1616 HydrophobicContact CB-CG2 3.71Å; Y1613-I1616 HydrophobicContact CG-CD1 4.19Å; Y1613-I1616 WeakPolarHBondContact O-CB 3.14Å; Y1613-I1616 PolarHBondContact O-N 2.9Å; Y1613-I1616 VanDerWaalsContact O-N 3.14Å; I1616-L1618 VanDerWaalsContact C-N 3.29Å; I1616-L1618 PolarHBondContact O-N 2.86Å; I1616-L1619 WeakPolarHBondContact O-CB 3.21Å; I1616-L1619 PolarHBondContact O-N 3.26Å; I1616-L1619 VanDerWaalsContact O-N 3.1Å; I1616-I1620 HydrophobicContact CG2-CD1 3.81Å; I1616-I1620 WeakPolarHBondContact O-CG1 3.44Å; I1616-I1620 PolarHBondContact O-N 2.82Å
1617G92.3Very high88.2Confident5 Ų558.8 Ų58.85%0.05230%0.303CS..Hα-helixtrans-58.6-39.5175.300000112.5L1605 Y1613 Y1621L1605-G1617 WeakPolarHBondContact CD1-O 3.31Å; Y1613-G1617 PolarHBondContact O-N 2.83Å; G1617-Y1621 WeakPolarHBondContact O-CB 3.49Å; G1617-Y1621 PolarHBondContact O-N 3.26Å
1618L91.5Very high85.5Confident88 Ų8864.6 Ų64.646%0.46133%0.33SS..Hα-helixtrans-67.3-35.7174.2-76.9167.4000113.2K1614 D1615 I1616 A1622 I1660K1614-L1618 WeakPolarHBondContact O-CB 3.49Å; K1614-L1618 WeakPolarHBondContact O-CG 3.47Å; K1614-L1618 PolarHBondContact O-N 3.38Å; D1615-L1618 PolarHBondContact O-N 3.44Å; I1616-L1618 VanDerWaalsContact C-N 3.29Å; I1616-L1618 PolarHBondContact O-N 2.86Å; L1618-A1622 VanDerWaalsContact O-CB 3.26Å; L1618-A1622 WeakPolarHBondContact O-CB 3.49Å; L1618-A1622 PolarHBondContact O-N 2.71Å; L1618-I1660 HydrophobicContact CD2-CD1 4.29Å; L1618-I1660 HydrophobicContact CD2-CG2 4.44Å
1619L91.2Very high82.6Confident26 Ų2669.6 Ų69.614%0.13637%0.365CS..Hα-helixtrans-66-49.4174.9-76.2163.3000111.5K1580 R1584 L1587 D1615 I1616 A1622 H1623K1580-L1619 HydrophobicContact CG-CD1 3.95Å; R1584-L1619 HydrophobicContact CG-CD1 3.92Å; R1584-L1619 HydrophobicContact CG-CD2 4.36Å; L1587-L1619 HydrophobicContact CD1-CB 4.26Å; D1615-L1619 VanDerWaalsContact O-CG 3.31Å; D1615-L1619 WeakPolarHBondContact O-CG 3.36Å; D1615-L1619 PolarHBondContact O-N 3.32Å; I1616-L1619 WeakPolarHBondContact O-CB 3.21Å; I1616-L1619 PolarHBondContact O-N 3.26Å; I1616-L1619 VanDerWaalsContact O-N 3.1Å; L1619-A1622 PolarHBondContact O-N 2.83Å; L1619-H1623 PolarHBondContact O-N 2.88Å
1620I90.9Very high79.7Confident0 Ų070.1 Ų70.10%037%0.373CS..Hα-helixtrans-64.3-42.4178.6-60.4166.4000110.4A1575 V1583 L1587 A1594 A1604 L1605 A1608 I1616 A1622 H1623 L1624A1575-I1620 HydrophobicContact CB-CD1 4.21Å; V1583-I1620 HydrophobicContact CG1-CD1 4.33Å; V1583-I1620 HydrophobicContact CG1-CG1 4Å; L1587-I1620 HydrophobicContact CD1-CG1 3.97Å; A1594-I1620 HydrophobicContact CB-CG2 4.48Å; A1604-I1620 HydrophobicContact CB-CD1 4.01Å; L1605-I1620 HydrophobicContact CB-CG2 3.88Å; L1605-I1620 HydrophobicContact CD1-CB 4.47Å; A1608-I1620 HydrophobicContact CB-CD1 4.31Å; I1616-I1620 HydrophobicContact CG2-CD1 3.81Å; I1616-I1620 WeakPolarHBondContact O-CG1 3.44Å; I1616-I1620 PolarHBondContact O-N 2.82Å; I1620-A1622 PolarHBondContact O-N 2.65Å; I1620-H1623 PolarHBondContact O-N 3.36Å; I1620-L1624 HydrophobicContact CG2-CD1 3.88Å; I1620-L1624 HydrophobicContact CG2-CG 4.4Å; I1620-L1624 WeakPolarHBondContact O-CB 3.49Å; I1620-L1624 WeakPolarHBondContact O-CG 3.46Å; I1620-L1624 PolarHBondContact O-N 3.2Å
1621Y90.1Very high76.6Confident62 Ų6270.4 Ų70.424%0.24338%0.378CS..Hα-helixtrans-63-40.4175.4-179.3-99.7000112.2L1605 G1617 N1625L1605-Y1621 HydrophobicContact CD2-CD2 4.15Å; G1617-Y1621 WeakPolarHBondContact O-CB 3.49Å; G1617-Y1621 PolarHBondContact O-N 3.26Å; Y1621-N1625 VanDerWaalsContact CD2-ND2 3.35Å; Y1621-N1625 WeakPolarHBondContact CD2-ND2 3.37Å; Y1621-N1625 WeakPolarHBondContact CE2-ND2 3.4Å; Y1621-N1625 PolarHBondContact O-N 2.91Å; Y1621-N1625 PolarHBondContact O-ND2 2.87Å
1622A90.1Very high73.8Confident23 Ų2371.7 Ų71.719%0.1939%0.391CS..Hα-helixtrans-62.3-48.5176.600000111.6L1618 L1619 I1620 N1625 H1626L1618-A1622 VanDerWaalsContact O-CB 3.26Å; L1618-A1622 WeakPolarHBondContact O-CB 3.49Å; L1618-A1622 PolarHBondContact O-N 2.71Å; L1619-A1622 PolarHBondContact O-N 2.83Å; I1620-A1622 PolarHBondContact O-N 2.65Å; A1622-N1625 PolarHBondContact O-N 2.81Å; A1622-H1626 PolarHBondContact O-CD2 2.9Å; A1622-H1626 PolarHBondContact O-N 3.24Å; A1622-H1626 VanDerWaalsContact O-N 3.13Å
1623H88.3Confident70.9Confident35 Ų3575.7 Ų75.716%0.16241%0.407CS..Hα-helixtrans-53.8-61.1176.1-178.7101.4000110.9L1587 L1619 I1620 N1625 H1626 D1627L1587-H1623 HydrophobicContact CD1-CB 4.37Å; L1587-H1623 HydrophobicContact CD2-CB 4.22Å; L1587-H1623 PolarHBondContact O-CE1 3.38Å; L1587-H1623 PolarHBondContact O-ND1 2.88Å; L1619-H1623 PolarHBondContact O-N 2.88Å; I1620-H1623 PolarHBondContact O-N 3.36Å; H1623-N1625 PolarHBondContact O-N 3.17Å; H1623-H1626 PolarHBondContact O-N 3.5Å; H1623-D1627 IonicContact CD2-OD2 2.69Å; H1623-D1627 PolarHBondContact CD2-OD2 3.2Å; H1623-D1627 VanDerWaalsContact CD2-OD2 3.28Å; H1623-D1627 IonicContact CG-OD2 3.18Å; H1623-D1627 IonicContact NE2-OD2 3.02Å; H1623-D1627 PolarHBondContact O-N 2.72Å
1624L87.9Confident67.7Low41 Ų4176.9 Ų76.922%0.21543%0.427CS..Hα-helixtrans-54.7-29.1-178-72.8172000115A1594 L1605 I1620A1594-L1624 HydrophobicContact CB-CD2 3.78Å; A1594-L1624 HydrophobicContact CB-CG 4.15Å; L1605-L1624 HydrophobicContact CD2-CD1 4.38Å; I1620-L1624 HydrophobicContact CG2-CD1 3.88Å; I1620-L1624 HydrophobicContact CG2-CG 4.4Å; I1620-L1624 WeakPolarHBondContact O-CB 3.49Å; I1620-L1624 WeakPolarHBondContact O-CG 3.46Å; I1620-L1624 PolarHBondContact O-N 3.2Å
1625N81.7Confident64.9Low71 Ų7175.1 Ų75.138%0.3843%0.426SS..Hα-helixtrans-89.7-17.8178.2-74.3-99.2000113.4Y1621 A1622 H1623Y1621-N1625 VanDerWaalsContact CD2-ND2 3.35Å; Y1621-N1625 WeakPolarHBondContact CD2-ND2 3.37Å; Y1621-N1625 WeakPolarHBondContact CE2-ND2 3.4Å; Y1621-N1625 PolarHBondContact O-N 2.91Å; Y1621-N1625 PolarHBondContact O-ND2 2.87Å; A1622-N1625 PolarHBondContact O-N 2.81Å; H1623-N1625 PolarHBondContact O-N 3.17Å
1626H76.5Confident62.1Low107 Ų10779.4 Ų79.450%0.49545%0.449SS..Hα-helixtrans-82.3-29.7175-73.6-44.5000112.5A1622 H1623 H1628 S1629A1622-H1626 PolarHBondContact O-CD2 2.9Å; A1622-H1626 PolarHBondContact O-N 3.24Å; A1622-H1626 VanDerWaalsContact O-N 3.13Å; H1623-H1626 PolarHBondContact O-N 3.5Å; H1626-H1628 PolarHBondContact O-N 2.91Å; H1626-S1629 PolarHBondContact O-N 3.36Å; H1626-S1629 PolarHBondContact O-OG 2.94Å; H1626-S1629 VanDerWaalsContact O-OG 3.08Å
1627D54.3Low59.1Low75 Ų7587.9 Ų87.940%0.40149%0.488SS..G310 helixtrans-66.2-20.2179.9-57.3-39.9000113.6H1623 S1629 S1630H1623-D1627 IonicContact CD2-OD2 2.69Å; H1623-D1627 PolarHBondContact CD2-OD2 3.2Å; H1623-D1627 VanDerWaalsContact CD2-OD2 3.28Å; H1623-D1627 IonicContact CG-OD2 3.18Å; H1623-D1627 IonicContact NE2-OD2 3.02Å; H1623-D1627 PolarHBondContact O-N 2.72Å; D1627-S1629 PolarHBondContact O-N 2.7Å; D1627-S1630 PolarHBondContact O-N 3.01Å; D1627-S1630 PolarHBondContact O-OG 3.34Å
1628H36.8Very low56.1Low140 Ų14097 Ų9765%0.64853%0.529SS*.G310 helixtrans-60.60.1176.1-70.7-26.5000115.4H1626 S1630H1626-H1628 PolarHBondContact O-N 2.91Å; H1628-S1630 VanDerWaalsContact C-N 3.33Å
1629S32.3Very low53.2Low105 Ų105101.6 Ų101.673%0.73455%0.546SS*.G310 helixtrans-78.3-10.1169.553.40000114.2H1626 D1627 L1631H1626-S1629 PolarHBondContact O-N 3.36Å; H1626-S1629 PolarHBondContact O-OG 2.94Å; H1626-S1629 VanDerWaalsContact O-OG 3.08Å; D1627-S1629 PolarHBondContact O-N 2.7Å; S1629-L1631 PolarHBondContact O-N 2.92Å
1630S30Very low50.2Low104 Ų104108.4 Ų108.473%0.72758%0.581SS**  trans-92.252.3177.373.80000114.5D1627 H1628D1627-S1630 PolarHBondContact O-N 3.01Å; D1627-S1630 PolarHBondContact O-OG 3.34Å; H1628-S1630 VanDerWaalsContact C-N 3.33Å
1631L26.6Very low47.1Very low146 Ų146111.7 Ų111.776%0.76462%0.615SS**  trans-76145.1164.7-80.7168.2000110.4S1629S1629-L1631 PolarHBondContact O-N 2.92Å
1632P31Very low44Very low111 Ų111114 Ų11472%0.72164%0.64SS**  trans-65.4140.1-169.626-34.6000112.1S1634P1632-S1634 PolarHBondContact O-N 2.84Å
1633V28.6Very low41Very low127 Ų127120.8 Ų120.877%0.7767%0.672SS**  trans-60.699.5-172.8-178.50000111.4N1635V1633-N1635 PolarHBondContact O-N 3.41Å
1634S26.6Very low38Very low108 Ų108130.3 Ų130.376%0.75571%0.706SS**  trans-69.4116.3151.5-61.50000106.9P1632P1632-S1634 PolarHBondContact O-N 2.84Å
1635N32Very low35Very low134 Ų134133.7 Ų133.772%0.71773%0.732SS**THydrogen-bonded Turntrans-57.2155174.5-71.6-31.5000110.5V1633V1633-N1635 PolarHBondContact O-N 3.41Å
1636D33.1Very low32.4Very low159 Ų159134.8 Ų134.885%0.8575%0.745SS**THydrogen-bonded Turntrans105.32.7171.3-53.3-14.3000118.2
1637Q28.9Very low30.1Very low178 Ų178136 Ų13683%0.83275%0.749SS**  trans-119.553.5171.7-66.9-163.1-7.100115.3K1639Q1637-K1639 VanDerWaalsContact C-N 3.32Å; Q1637-K1639 PolarHBondContact O-N 3.19Å
1638Q29.8Very low28.8Very low196 Ų196141.2 Ų141.292%0.91676%0.763SS**THydrogen-bonded Turntrans-69.477.4166.3-70.2-173.5-1100112.5
1639K30.9Very low28.2Very low185 Ų185143.9 Ų143.980%0.80478%0.776SS**THydrogen-bonded Turntrans-162.21.5159.2-118.8160.3-171.2175.60119.6Q1637Q1637-K1639 VanDerWaalsContact C-N 3.32Å; Q1637-K1639 PolarHBondContact O-N 3.19Å
1640L27.7Very low28Very low169 Ų169147 Ų14789%0.88578%0.779SS**  trans-102.386.3175.7-83.1160.9000111.6C1642L1640-C1642 PolarHBondContact O-N 3.43Å; L1640-C1642 VanDerWaalsContact O-N 3.16Å
1641G25.7Very low27.9Very low69 Ų69149.9 Ų149.971%0.71178%0.781SS**  trans-71.3102.517100000110.9L1643G1641-L1643 PolarHBondContact O-N 3.09Å
1642C25.4Very low28Very low112 Ų112148.3 Ų148.376%0.75777%0.772SS**  trans-65.6102.7169.6-171.40000109L1640 R1644L1640-C1642 PolarHBondContact O-N 3.43Å; L1640-C1642 VanDerWaalsContact O-N 3.16Å; C1642-R1644 VanDerWaalsContact C-N 3.25Å; C1642-R1644 PolarHBondContact O-N 3.39Å
1643L26.9Very low27.8Very low165 Ų165148.4 Ų148.486%0.86477%0.771SS**  trans-72.280.4-179.6-80.4168.1000110.7G1641 C1645G1641-L1643 PolarHBondContact O-N 3.09Å; L1643-C1645 PolarHBondContact O-N 3.24Å
1644R25.5Very low27.6Very low234 Ų234146.6 Ų146.688%0.88376%0.763SS**  trans6.585.5164.5-167.1171.2-172.2152.21.5113.5C1642 S1646C1642-R1644 VanDerWaalsContact C-N 3.25Å; C1642-R1644 PolarHBondContact O-N 3.39Å; R1644-S1646 VanDerWaalsContact C-N 3.31Å; R1644-S1646 PolarHBondContact O-N 3.39Å
1645C25.6Very low27.8Very low113 Ų113146.3 Ų146.376%0.76476%0.761SS**  trans-62.489178.8-65.90000110.5L1643 F1647L1643-C1645 PolarHBondContact O-N 3.24Å; C1645-F1647 PolarHBondContact O-N 3.27Å; C1645-F1647 VanDerWaalsContact O-N 3.11Å
1646S26.9Very low27.6Very low93 Ų93142.9 Ų142.965%0.6574%0.742SS**  trans-63.1112.6175.5179.10000109.1R1644 R1648R1644-S1646 VanDerWaalsContact C-N 3.31Å; R1644-S1646 PolarHBondContact O-N 3.39Å; S1646-R1648 VanDerWaalsContact C-N 3.33Å; S1646-R1648 PolarHBondContact O-N 3.35Å
1647F27.7Very low27.6Very low132 Ų132142.9 Ų142.958%0.57973%0.734SS**  trans-6094.9168.1-109.1-99.6000108.4C1645C1645-F1647 PolarHBondContact O-N 3.27Å; C1645-F1647 VanDerWaalsContact O-N 3.11Å
1648R26.7Very low27.7Very low185 Ų185143.1 Ų143.170%0.69873%0.729SS**  trans-150.171-173-158.9176.4-165.5179.97.8112.7S1646 Q1650S1646-R1648 VanDerWaalsContact C-N 3.33Å; S1646-R1648 PolarHBondContact O-N 3.35Å; R1648-Q1650 PolarHBondContact O-N 2.87Å
1649E25.5Very low27.8Very low196 Ų196137.1 Ų137.192%0.91671%0.707SS**  trans49.624.6162.5-59.2-166.1123.200117.6E1651E1649-E1651 PolarHBondContact O-N 3.45Å
1650Q27.4Very low28Very low171 Ų171131.2 Ų131.280%0.79968%0.683SS**  trans-78.4110.4158.5-65.1-168.419.400107.5R1648 I1652R1648-Q1650 PolarHBondContact O-N 2.87Å; Q1650-I1652 PolarHBondContact O-N 3.11Å
1651E27.5Very low28.3Very low164 Ų164129.4 Ų129.477%0.76667%0.671SS**  trans-47122.9175.5-59.9177.4124.800109.5E1649 T1653E1649-E1651 PolarHBondContact O-N 3.45Å; E1651-T1653 HydrophobicContact CB-CG2 4.17Å; E1651-T1653 PolarHBondContact O-N 3.08Å; E1651-T1653 PolarHBondContact O-OG1 3.03Å
1652I29.4Very low28.6Very low114 Ų114131.3 Ų131.359%0.58566%0.662SS**SBendtrans-70.779.8-169.3-53.6176.8000110.2Q1650 I1656Q1650-I1652 PolarHBondContact O-N 3.11Å; I1652-I1656 HydrophobicContact CG2-CD1 3.89Å; I1652-I1656 HydrophobicContact CG2-CG1 4.29Å
1653T26.9Very low28.9Very low113 Ų113128.2 Ų128.269%0.69364%0.641SS**  trans-127.6-13.6-172.855.30000111.4E1651 S1655E1651-T1653 HydrophobicContact CB-CG2 4.17Å; E1651-T1653 PolarHBondContact O-N 3.08Å; E1651-T1653 PolarHBondContact O-OG1 3.03Å; T1653-S1655 PolarHBondContact O-N 3.03Å
1654C24Very low29.3Very low88 Ų88127.5 Ų127.560%0.59563%0.632SS**SBendtrans-71.290169.755.60000111.4I1656C1654-I1656 VanDerWaalsContact C-N 3.27Å; C1654-I1656 WeakPolarHBondContact O-CG1 3.23Å; C1654-I1656 PolarHBondContact O-N 3.16Å
1655S29.7Very low29.8Very low103 Ų103120 Ų12072%0.7261%0.609SS**SBendtrans67.3-17.5161.3-53.40000119.5T1653 K1657 Y1658T1653-S1655 PolarHBondContact O-N 3.03Å; S1655-K1657 PolarHBondContact O-N 2.85Å; S1655-Y1658 PolarHBondContact O-N 3.14Å
1656I28.2Very low30.3Very low62 Ų62117.2 Ų117.232%0.31859%0.594SS.*THydrogen-bonded Turntrans-69.1-6.2-178.8-37.3-171.8000113.1I1652 C1654 Y1658 P1659 I1660I1652-I1656 HydrophobicContact CG2-CD1 3.89Å; I1652-I1656 HydrophobicContact CG2-CG1 4.29Å; C1654-I1656 VanDerWaalsContact C-N 3.27Å; C1654-I1656 WeakPolarHBondContact O-CG1 3.23Å; C1654-I1656 PolarHBondContact O-N 3.16Å; I1656-Y1658 VanDerWaalsContact C-N 3.26Å; I1656-Y1658 PolarHBondContact O-N 3.45Å; I1656-P1659 WeakPolarHBondContact O-CD 3.32Å; I1656-I1660 HydrophobicContact CG2-CD1 3.9Å; I1656-I1660 HydrophobicContact CG2-CG1 4.12Å; I1656-I1660 PolarHBondContact O-N 3.24Å
1657K32.4Very low30.6Very low158 Ų158119.1 Ų119.169%0.68759%0.594SS**Hα-helixtrans-59.3-33.4174.5-165.2174.8-177.9-177.90113.3S1655S1655-K1657 PolarHBondContact O-N 2.85Å
1658Y31.3Very low31.2Very low184 Ų184116 Ų11672%0.72259%0.585SS**Hα-helixtrans-76.4-46.7179.9-86.4-79.6000114.1S1655 I1656 M1662S1655-Y1658 PolarHBondContact O-N 3.14Å; I1656-Y1658 VanDerWaalsContact C-N 3.26Å; I1656-Y1658 PolarHBondContact O-N 3.45Å; Y1658-M1662 WeakPolarHBondContact O-CB 3.17Å; Y1658-M1662 WeakPolarHBondContact O-CG 3.46Å; Y1658-M1662 PolarHBondContact O-N 3.31Å; Y1658-M1662 VanDerWaalsContact O-N 3.12Å
1659P32.7Very low31.6Very low69 Ų69112 Ų11245%0.44857%0.573SS.*Hα-helixtrans-56.8-45.7173.1-3035.8000114.2I1656 M1662 C1663I1656-P1659 WeakPolarHBondContact O-CD 3.32Å; P1659-M1662 CarbonylContact O-C 3.59Å; P1659-M1662 PolarHBondContact O-N 2.04Å; P1659-C1663 WeakPolarHBondContact O-CB 3.32Å; P1659-C1663 PolarHBondContact O-N 2.93Å; P1659-C1663 PolarHBondContact O-SG 3.34Å
1660I34.5Very low32Very low61 Ų61105.8 Ų105.831%0.31355%0.551SS.*Hα-helixtrans-68.1-44.9-172.1-65.2166.8000112L1618 I1656 M1662 C1663 F1664L1618-I1660 HydrophobicContact CD2-CD1 4.29Å; L1618-I1660 HydrophobicContact CD2-CG2 4.44Å; I1656-I1660 HydrophobicContact CG2-CD1 3.9Å; I1656-I1660 HydrophobicContact CG2-CG1 4.12Å; I1656-I1660 PolarHBondContact O-N 3.24Å; I1660-M1662 VanDerWaalsContact C-N 3.32Å; I1660-M1662 PolarHBondContact O-N 3.34Å; I1660-C1663 PolarHBondContact O-N 3.27Å; I1660-F1664 PolarHBondContact O-N 3.4Å
1661E33.6Very low32.5Very low132 Ų132102.5 Ų102.562%0.61754%0.536SS*.Hα-helixtrans-61.7-41.3172.2-79.5-169.5162.200111C1663 L1665E1661-C1663 PolarHBondContact O-N 3.3Å; E1661-L1665 WeakPolarHBondContact O-CB 3.42Å; E1661-L1665 PolarHBondContact O-N 2.93Å
1662M32.5Very low32.8Very low109 Ų109100.8 Ų100.854%0.53753%0.527SS..Hα-helixtrans-70.5-26177.4-78.4-72.4-75.800114Y1658 P1659 I1660 L1665 A1666Y1658-M1662 WeakPolarHBondContact O-CB 3.17Å; Y1658-M1662 WeakPolarHBondContact O-CG 3.46Å; Y1658-M1662 PolarHBondContact O-N 3.31Å; Y1658-M1662 VanDerWaalsContact O-N 3.12Å; P1659-M1662 CarbonylContact O-C 3.59Å; P1659-M1662 PolarHBondContact O-N 2.04Å; I1660-M1662 VanDerWaalsContact C-N 3.32Å; I1660-M1662 PolarHBondContact O-N 3.34Å; M1662-L1665 CarbonylContact O-C 3.58Å; M1662-L1665 HydrophobicContact SD-CD2 4.26Å; M1662-A1666 WeakPolarHBondContact O-CA 3.47Å; M1662-A1666 WeakPolarHBondContact O-CB 3.48Å; M1662-A1666 PolarHBondContact O-N 3.47Å
1663C33.1Very low32.9Very low46 Ų46104.3 Ų104.331%0.31153%0.533SS..Hα-helixtrans-77.7-43.7176.1-76.90000111.4P1659 I1660 E1661 L1665 A1666 M1667P1659-C1663 WeakPolarHBondContact O-CB 3.32Å; P1659-C1663 PolarHBondContact O-N 2.93Å; P1659-C1663 PolarHBondContact O-SG 3.34Å; I1660-C1663 PolarHBondContact O-N 3.27Å; E1661-C1663 PolarHBondContact O-N 3.3Å; C1663-L1665 VanDerWaalsContact C-N 3.28Å; C1663-L1665 PolarHBondContact O-N 2.91Å; C1663-A1666 PolarHBondContact O-N 2.97Å; C1663-M1667 WeakPolarHBondContact O-CB 3.22Å; C1663-M1667 WeakPolarHBondContact O-CG 3.37Å; C1663-M1667 PolarHBondContact O-N 2.86Å
1664F33.8Very low33.2Very low151 Ų151103.7 Ų103.766%0.66253%0.529SS*.Hα-helixtrans-62.9-37.7168.7-109.2-88000111.5I1660 A1666 T1668I1660-F1664 PolarHBondContact O-N 3.4Å; F1664-A1666 VanDerWaalsContact C-N 3.34Å; F1664-T1668 PolarHBondContact O-N 3.3Å; F1664-T1668 VanDerWaalsContact O-N 3.15Å; F1664-T1668 PolarHBondContact O-OG1 3.13Å
1665L37.3Very low33.8Very low77 Ų77103 Ų10340%0.40352%0.523SS..Hα-helixtrans-73.6-22.1175-161.267000112.9E1661 M1662 C1663 T1668 K1669E1661-L1665 WeakPolarHBondContact O-CB 3.42Å; E1661-L1665 PolarHBondContact O-N 2.93Å; M1662-L1665 CarbonylContact O-C 3.58Å; M1662-L1665 HydrophobicContact SD-CD2 4.26Å; C1663-L1665 VanDerWaalsContact C-N 3.28Å; C1663-L1665 PolarHBondContact O-N 2.91Å; L1665-T1668 VanDerWaalsContact CA-OG1 3.29Å; L1665-T1668 WeakPolarHBondContact CA-OG1 3.08Å; L1665-T1668 PolarHBondContact O-OG1 2.57Å; L1665-K1669 VanDerWaalsContact CD2-NZ 3.29Å; L1665-K1669 HydrophobicContact CG-CD 4.09Å; L1665-K1669 WeakPolarHBondContact O-CB 3.35Å; L1665-K1669 WeakPolarHBondContact O-CD 3.47Å; L1665-K1669 WeakPolarHBondContact O-CG 3.09Å; L1665-K1669 PolarHBondContact O-N 3.44Å
1666A36.1Very low34.1Very low54 Ų54105.2 Ų105.245%0.44652%0.519SS..Hα-helixtrans-83.5-42174.800000111.9M1662 C1663 F1664 T1668 K1669 S1670M1662-A1666 WeakPolarHBondContact O-CA 3.47Å; M1662-A1666 WeakPolarHBondContact O-CB 3.48Å; M1662-A1666 PolarHBondContact O-N 3.47Å; C1663-A1666 PolarHBondContact O-N 2.97Å; F1664-A1666 VanDerWaalsContact C-N 3.34Å; A1666-T1668 PolarHBondContact O-N 3.27Å; A1666-K1669 CarbonylContact O-C 3.55Å; A1666-K1669 PolarHBondContact O-N 3.38Å; A1666-K1669 VanDerWaalsContact O-N 3.12Å; A1666-S1670 PolarHBondContact O-N 3.48Å
1667M33.1Very low34.3Very low133 Ų133107.7 Ų107.766%0.65553%0.533SS*.Hα-helixtrans-60.4-28.9171-74.3-175.716800112C1663 S1670C1663-M1667 WeakPolarHBondContact O-CB 3.22Å; C1663-M1667 WeakPolarHBondContact O-CG 3.37Å; C1663-M1667 PolarHBondContact O-N 2.86Å; M1667-S1670 PolarHBondContact O-OG 3.21Å; M1667-S1670 VanDerWaalsContact O-OG 3.06Å
1668T39.9Very low34.4Very low65 Ų65103.7 Ų103.740%0.39952%0.524SS..Hα-helixtrans-87.3-29.7170.450.30000113.9F1664 L1665 A1666 Q1671F1664-T1668 PolarHBondContact O-N 3.3Å; F1664-T1668 VanDerWaalsContact O-N 3.15Å; F1664-T1668 PolarHBondContact O-OG1 3.13Å; L1665-T1668 VanDerWaalsContact CA-OG1 3.29Å; L1665-T1668 WeakPolarHBondContact CA-OG1 3.08Å; L1665-T1668 PolarHBondContact O-OG1 2.57Å; A1666-T1668 PolarHBondContact O-N 3.27Å; T1668-Q1671 WeakPolarHBondContact O-CB 3.2Å
1669K35.4Very low34.8Very low103 Ų103101.3 Ų101.345%0.44852%0.524SS..Hα-helixtrans-78.6-17.8174.9-80.4170179.11690115L1665 A1666 Q1671 H1672 W1673L1665-K1669 VanDerWaalsContact CD2-NZ 3.29Å; L1665-K1669 HydrophobicContact CG-CD 4.09Å; L1665-K1669 WeakPolarHBondContact O-CB 3.35Å; L1665-K1669 WeakPolarHBondContact O-CD 3.47Å; L1665-K1669 WeakPolarHBondContact O-CG 3.09Å; L1665-K1669 PolarHBondContact O-N 3.44Å; A1666-K1669 CarbonylContact O-C 3.55Å; A1666-K1669 PolarHBondContact O-N 3.38Å; A1666-K1669 VanDerWaalsContact O-N 3.12Å; K1669-Q1671 VanDerWaalsContact C-N 3.27Å; K1669-Q1671 PolarHBondContact O-N 3.26Å; K1669-H1672 WeakPolarHBondContact O-CA 3.42Å; K1669-H1672 VanDerWaalsContact O-CB 3.24Å; K1669-H1672 WeakPolarHBondContact O-CB 3.48Å; K1669-H1672 PolarHBondContact O-N 2.85Å; K1669-W1673 PolarHBondContact O-N 3.12Å
1670S34.2Very low34.8Very low64 Ų64103.5 Ų103.545%0.44853%0.531SS..Hα-helixtrans-59.3-40.2173.262.80000111.4A1666 M1667 H1672 W1673 V1674A1666-S1670 PolarHBondContact O-N 3.48Å; M1667-S1670 PolarHBondContact O-OG 3.21Å; M1667-S1670 VanDerWaalsContact O-OG 3.06Å; S1670-H1672 PolarHBondContact O-N 2.9Å; S1670-W1673 PolarHBondContact O-N 3.31Å; S1670-V1674 PolarHBondContact O-N 2.93Å
1671Q36.6Very low34.6Very low103 Ų103104.5 Ų104.548%0.48155%0.548SS..Hα-helixtrans-53.2-33.8169.4-64.6-90.7-28.900112.3T1668 K1669 W1673 V1674 T1675T1668-Q1671 WeakPolarHBondContact O-CB 3.2Å; K1669-Q1671 VanDerWaalsContact C-N 3.27Å; K1669-Q1671 PolarHBondContact O-N 3.26Å; Q1671-W1673 VanDerWaalsContact C-N 3.34Å; Q1671-V1674 PolarHBondContact O-N 3.13Å; Q1671-T1675 PolarHBondContact O-N 3.35Å; Q1671-T1675 VanDerWaalsContact O-N 3.14Å; Q1671-T1675 PolarHBondContact O-OG1 3.09Å
1672H34.5Very low34.4Very low127 Ų127104.8 Ų104.859%0.58855%0.554SS**Hα-helixtrans-77.7-18.3-178-146.3-29.3000113.6K1669 S1670 T1675 K1676K1669-H1672 WeakPolarHBondContact O-CA 3.42Å; K1669-H1672 VanDerWaalsContact O-CB 3.24Å; K1669-H1672 WeakPolarHBondContact O-CB 3.48Å; K1669-H1672 PolarHBondContact O-N 2.85Å; S1670-H1672 PolarHBondContact O-N 2.9Å; H1672-T1675 PolarHBondContact O-OG1 2.78Å; H1672-K1676 PolarHBondContact O-N 3.48Å
1673W30.4Very low34.3Very low188 Ų188105.2 Ų105.271%0.71256%0.562SS**Hα-helixtrans-77.9-39.4166-81.168000111.2K1669 S1670 Q1671 T1675 K1676 L1677K1669-W1673 PolarHBondContact O-N 3.12Å; S1670-W1673 PolarHBondContact O-N 3.31Å; Q1671-W1673 VanDerWaalsContact C-N 3.34Å; W1673-T1675 VanDerWaalsContact C-N 3.31Å; W1673-T1675 PolarHBondContact O-N 3.27Å; W1673-K1676 PolarHBondContact O-N 3.48Å; W1673-K1676 VanDerWaalsContact O-N 3.16Å; W1673-L1677 WeakPolarHBondContact O-CB 3.39Å; W1673-L1677 WeakPolarHBondContact O-CG 3.44Å; W1673-L1677 PolarHBondContact O-N 2.97Å
1674V33.3Very low34.1Very low100 Ų100107.7 Ų107.761%0.60658%0.578SS**Hα-helixtrans-58.8-42.3176.2-179.50000111.4S1670 Q1671 L1677 S1678S1670-V1674 PolarHBondContact O-N 2.93Å; Q1671-V1674 PolarHBondContact O-N 3.13Å; V1674-L1677 PolarHBondContact O-N 3.48Å; V1674-S1678 PolarHBondContact O-N 3.47Å
1675T37.2Very low33.8Very low74 Ų74104.7 Ų104.745%0.45457%0.572SS.*Hα-helixtrans-72.3-29.9176.153.30000113.8Q1671 H1672 W1673 L1677 S1678Q1671-T1675 PolarHBondContact O-N 3.35Å; Q1671-T1675 VanDerWaalsContact O-N 3.14Å; Q1671-T1675 PolarHBondContact O-OG1 3.09Å; H1672-T1675 PolarHBondContact O-OG1 2.78Å; W1673-T1675 VanDerWaalsContact C-N 3.31Å; W1673-T1675 PolarHBondContact O-N 3.27Å; T1675-L1677 VanDerWaalsContact C-N 3.35Å; T1675-S1678 PolarHBondContact O-OG 3.44Å
1676K36.5Very low33.4Very low150 Ų150110.9 Ų110.965%0.65260%0.596SS**Hα-helixtrans-76.8-23174.2-126.8178.1-177.1-177.40113.2H1672 W1673H1672-K1676 PolarHBondContact O-N 3.48Å; W1673-K1676 PolarHBondContact O-N 3.48Å; W1673-K1676 VanDerWaalsContact O-N 3.16Å
1677L31Very low32.8Very low114 Ų114114.3 Ų114.360%0.59761%0.612SS**Hα-helixtrans-75.8-29173.2-79.5163.6000112.9W1673 V1674 T1675 D1679W1673-L1677 WeakPolarHBondContact O-CB 3.39Å; W1673-L1677 WeakPolarHBondContact O-CG 3.44Å; W1673-L1677 PolarHBondContact O-N 2.97Å; V1674-L1677 PolarHBondContact O-N 3.48Å; T1675-L1677 VanDerWaalsContact C-N 3.35Å; L1677-D1679 VanDerWaalsContact C-N 3.35Å
1678S36Very low32.5Very low73 Ų73115.1 Ų115.151%0.5162%0.618SS.*Hα-helixtrans-66.2-35.517449.30000113V1674 T1675 I1680 A1681V1674-S1678 PolarHBondContact O-N 3.47Å; T1675-S1678 PolarHBondContact O-OG 3.44Å; S1678-I1680 VanDerWaalsContact C-N 3.29Å; S1678-I1680 PolarHBondContact O-N 3.26Å; S1678-A1681 WeakPolarHBondContact O-CB 3.41Å; S1678-A1681 PolarHBondContact O-N 3.14Å
1679D38.2Very low31.9Very low135 Ų135117.2 Ų117.272%0.72264%0.636SS**THydrogen-bonded Turntrans-75.4-16.5-176.8-66.90.7000113.3L1677L1677-D1679 VanDerWaalsContact C-N 3.35Å
1680I32.8Very low31.5Very low115 Ų115117 Ų11759%0.5965%0.647SS**THydrogen-bonded Turntrans-89.9-11179.1-65.1172.6000111.7S1678 D1682S1678-I1680 VanDerWaalsContact C-N 3.29Å; S1678-I1680 PolarHBondContact O-N 3.26Å; I1680-D1682 PolarHBondContact O-N 3.31Å; I1680-D1682 VanDerWaalsContact O-N 3.12Å
1681A30.2Very low31.1Very low81 Ų81121.8 Ų121.867%0.66966%0.662SS**THydrogen-bonded Turntrans-66.9-13.5-171.400000116S1678S1678-A1681 WeakPolarHBondContact O-CB 3.41Å; S1678-A1681 PolarHBondContact O-N 3.14Å
1682D30.9Very low30.7Very low138 Ų138124.1 Ų124.174%0.73867%0.674SS**THydrogen-bonded Turntrans-94.13.1-174.8-105.8-23.6000114.9I1680I1680-D1682 PolarHBondContact O-N 3.31Å; I1680-D1682 VanDerWaalsContact O-N 3.12Å
1683V29.4Very low30.4Very low118 Ų118124.3 Ų124.372%0.71568%0.683SS**SBendtrans-89116.7175-175.60000110.6T1685V1683-T1685 PolarHBondContact O-N 3.35Å
1684P29.6Very low30.3Very low99 Ų99125 Ų12564%0.64371%0.707SS**PPolyproline II helixtrans-71.2131.7-168.326.4-34.7000113.6K1686P1684-K1686 PolarHBondContact O-N 3.17Å
1685T26.2Very low30.1Very low88 Ų88126.2 Ų126.254%0.5471%0.713SS.*PPolyproline II helixtrans-51.9116.5-17653.80000113.9G450 V1683G450-T1685 PolarHBondContact N-OG1 2.75Å; V1683-T1685 PolarHBondContact O-N 3.35Å
1686K29Very low29.8Very low206 Ų206128.9 Ų128.990%0.89673%0.726SS**  trans-110.8126.1151.1-86.9-170.3173.3-176.20108.9P1684P1684-K1686 PolarHBondContact O-N 3.17Å
1687T25.3Very low29.4Very low127 Ų127127.8 Ų127.878%0.77973%0.73SS**  trans-65.4133.4178.148.60000111.5
1688N26.5Very low29.3Very low149 Ų149128.6 Ų128.680%0.79774%0.738SS**  -165.4163.6117-95.77.6000110.3
1689S26.5Very low28.9Very low110 Ų110132.1 Ų132.177%0.76975%0.752SS**  trans-72.1136-167.143.70000115.3
1690S27.5Very low28.3Very low98 Ų98131.9 Ų131.969%0.68575%0.754SS**  trans-155139.4153-66.10000107
1691Q26.5Very low27.9Very low164 Ų164133.1 Ų133.177%0.76677%0.766SS**  trans-86.6154.6-173.6-82.5172.4-106.100113.4
1692E27.9Very low27.8Very low153 Ų153137.1 Ų137.172%0.71577%0.773SS**  trans50.7101.9147.8-72.5148.3-129.400118.7
1693V26.6Very low27.5Very low131 Ų131137 Ų13779%0.79478%0.776SS**  trans-135.3105.6152.6176.80000107.6
1694V29.1Very low27.3Very low201 Ų201138.7 Ų138.7100%1.21878%0.782SS**  trans72.90-166.8-168.20000113.6

Retrieved 1,694 of 1,694 residues in 899.9 ms (Link to these results)