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Isoform h of Piezo-type mechanosensitive ion channel component 1 AlphaSync

Canonical isoform description: Pore-forming subunit of a mechanosensitive non-specific cation channel (By similarity). Generates currents characterized by a linear current-voltage relationship (By similarity). Plays a role in reproduction by positively regulating inter-tissue signaling to promote oocyte maturation, ovulation and fertilization, and sperm navigation from and to the spermatheca1. May play a role in regulating cytosolic and endoplasmic reticulum calcium ion release2.

AlphaFold DB , UniProt , Accession A0A061ACU2-8 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,404 aa.

>PIEZ1_CAEEL|A0A061ACU2-8|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEELLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTTAPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKFQDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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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
1M41.4Very low65.5Low206 Ų20668.3 Ų68.3100%1.01538%0.384SS*.  0128.40-80.7172.4163.400108.9L143M1-L143 HydrophobicContact CB-CD2 3.6Å; M1-L143 VanDerWaalsContact O-CD2 3.23Å; M1-L143 WeakPolarHBondContact O-CD2 3.38Å
2T46Very low66.9Low99 Ų9962.9 Ų62.961%0.60735%0.354SS*.  trans-99.3126.8175.741.30000109.7R146T2-R146 HydrophobicContact CG2-CB 4.25Å
3V59.2Low67.6Low21 Ų2162.5 Ų62.513%0.12735%0.347CS..  trans-109130.1-173.1175.50000110.7L7 K8 I139 L143V3-L7 HydrophobicContact CG1-CB 3.97Å; V3-L7 HydrophobicContact CG1-CD2 3.72Å; V3-L7 HydrophobicContact CG1-CG 4.31Å; V3-K8 HydrophobicContact CG1-CG 4.03Å; V3-I139 HydrophobicContact CG1-CG2 4.36Å; V3-L143 HydrophobicContact CG2-CB 3.95Å; V3-L143 HydrophobicContact CG2-CD1 4.06Å; V3-L143 HydrophobicContact CG2-CD2 4.18Å; V3-L143 HydrophobicContact CG2-CG 4.28Å
4P64.4Low68.2Low77 Ų7766.7 Ų66.750%0.537%0.367SS..  trans-64.6143.4178.824.7-33.1000111.9L6 L7 K8P4-L6 PolarHBondContact O-N 2.75Å; P4-L6 VanDerWaalsContact O-N 3.11Å; P4-L7 HydrophobicContact CG-CB 4.09Å; P4-L7 WeakPolarHBondContact O-CB 3.47Å; P4-L7 PolarHBondContact O-N 3.41Å; P4-K8 PolarHBondContact O-N 2.65Å
5P62.3Low69.2Low22 Ų2267.5 Ų67.514%0.14337%0.37CS..Hα-helixtrans-64.7-22.5-175.825.2-31.6000112.8K8 S9 I48 K50P5-K8 PolarHBondContact O-N 2.97Å; P5-S9 WeakPolarHBondContact O-CB 3.46Å; P5-S9 PolarHBondContact O-N 3.16Å; P5-I48 HydrophobicContact CB-CG2 4.4Å; P5-K50 HydrophobicContact CG-CG 3.76Å
6L65.8Low70.3Confident142 Ų14263.3 Ų63.374%0.74335%0.347SS*.Hα-helixtrans-66.4-39.8174.6-150.4160.8000110.9P4 S9 C10P4-L6 PolarHBondContact O-N 2.75Å; P4-L6 VanDerWaalsContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.08Å; L6-C10 WeakPolarHBondContact O-CB 3.34Å; L6-C10 PolarHBondContact O-N 2.89Å
7L74Confident71.1Confident85 Ų8559.7 Ų59.745%0.44533%0.327SS..Hα-helixtrans-66.7-46.2173.9-168.872.2000110.8V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 3.97Å; V3-L7 HydrophobicContact CG1-CD2 3.72Å; V3-L7 HydrophobicContact CG1-CG 4.31Å; P4-L7 HydrophobicContact CG-CB 4.09Å; P4-L7 WeakPolarHBondContact O-CB 3.47Å; P4-L7 PolarHBondContact O-N 3.41Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.31Å; L7-C10 PolarHBondContact O-N 3.17Å; L7-V11 HydrophobicContact CG-CG2 4.45Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 2.89Å
8K76.4Confident71.7Confident9 Ų959.5 Ų59.54%0.03934%0.335CS..Hα-helixtrans-55.2-43.8174.2-62.5-166.2173.9-165.30111.7V3 P4 P5 V12 I48 I139 L143V3-K8 HydrophobicContact CG1-CG 4.03Å; P4-K8 PolarHBondContact O-N 2.65Å; P5-K8 PolarHBondContact O-N 2.97Å; K8-V12 WeakPolarHBondContact O-CG2 3.26Å; K8-V12 PolarHBondContact O-N 2.93Å; K8-I48 HydrophobicContact CB-CD1 3.69Å; K8-I139 VanDerWaalsContact CE-O 3.29Å; K8-I139 WeakPolarHBondContact CE-O 3.43Å; K8-I139 HydrophobicContact CG-CG2 4.24Å; K8-L143 WeakPolarHBondContact CE-O 3.42Å; K8-L143 PolarHBondContact NZ-O 3.47Å
9S73.2Confident72.5Confident24 Ų2457.2 Ų57.217%0.16832%0.324CS..Hα-helixtrans-72.7-25.7177.8-170.90000113.8P5 L6 L7 K13P5-S9 WeakPolarHBondContact O-CB 3.46Å; P5-S9 PolarHBondContact O-N 3.16Å; L6-S9 PolarHBondContact O-N 3.08Å; L7-S9 VanDerWaalsContact C-N 3.28Å; L7-S9 PolarHBondContact O-N 3.31Å; S9-K13 VanDerWaalsContact O-CB 3.3Å; S9-K13 WeakPolarHBondContact O-CB 3.44Å; S9-K13 WeakPolarHBondContact O-CG 3.49Å; S9-K13 PolarHBondContact O-N 2.96Å
10C75.4Confident73.3Confident58 Ų5854.4 Ų54.439%0.39231%0.308SS..Hα-helixtrans-75.4-43.5176-164.90000111L6 L7 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.34Å; L6-C10 PolarHBondContact O-N 2.89Å; L7-C10 PolarHBondContact O-N 3.17Å; C10-V12 PolarHBondContact O-N 3.31Å; C10-K13 PolarHBondContact O-N 3.24Å; C10-L14 WeakPolarHBondContact O-CB 3.44Å; C10-L14 PolarHBondContact O-N 3.43Å; C10-L15 PolarHBondContact O-N 3.25Å
11V82.6Confident73.9Confident8 Ų852.7 Ų52.75%0.04830%0.298CS..Iπ-helixtrans-58.3-45176.6167.80000111.5L7 L15 L16 T136 I139L7-V11 HydrophobicContact CG-CG2 4.45Å; L7-V11 WeakPolarHBondContact O-CG2 3.49Å; L7-V11 PolarHBondContact O-N 2.89Å; V11-L15 HydrophobicContact CG1-CD2 4.43Å; V11-L15 HydrophobicContact CG2-CD2 4.36Å; V11-L16 WeakPolarHBondContact O-CB 3.28Å; V11-L16 PolarHBondContact O-N 3.34Å; V11-T136 HydrophobicContact CG1-CG2 3.38Å; V11-I139 HydrophobicContact CG1-CD1 4.34Å; V11-I139 HydrophobicContact CG2-CD1 3.92Å; V11-I139 HydrophobicContact CG2-CG2 4.32Å
12V82.2Confident75.9Confident4 Ų444.8 Ų44.82%0.02427%0.265CS..Iπ-helixtrans-71.8-38.5179.2174.10000113.3K8 C10 P17 S42 L45 V140K8-V12 WeakPolarHBondContact O-CG2 3.26Å; K8-V12 PolarHBondContact O-N 2.93Å; C10-V12 PolarHBondContact O-N 3.31Å; V12-P17 WeakPolarHBondContact O-CD 3.5Å; V12-S42 PolarHBondContact O-OG 3.34Å; V12-L45 HydrophobicContact CG1-CD1 3.75Å; V12-V140 HydrophobicContact CG2-CG2 3.75Å
13K75.9Confident77.7Confident58 Ų5840.1 Ų40.125%0.25224%0.237SC..Iπ-helixtrans-100.3-10.6-169-65.6-178178.9167.40115.9S9 C10 P17 P47S9-K13 VanDerWaalsContact O-CB 3.3Å; S9-K13 WeakPolarHBondContact O-CB 3.44Å; S9-K13 WeakPolarHBondContact O-CG 3.49Å; S9-K13 PolarHBondContact O-N 2.96Å; C10-K13 PolarHBondContact O-N 3.24Å; K13-P17 WeakPolarHBondContact O-CG 3.26Å; K13-P47 VanDerWaalsContact NZ-CA 3.35Å
14L75.4Confident78.8Confident121 Ų12139.1 Ų39.163%0.63423%0.231SC*.Iπ-helixtrans-131-55.5-176.7-161.7120.1000111.1C10 A18C10-L14 WeakPolarHBondContact O-CB 3.44Å; C10-L14 PolarHBondContact O-N 3.43Å; L14-A18 WeakPolarHBondContact O-CB 3.09Å; L14-A18 PolarHBondContact O-N 2.88Å; L14-A18 VanDerWaalsContact O-N 3.11Å
15L83.5Confident79.6Confident79 Ų7940.2 Ų40.241%0.41423%0.231SC..Iπ-helixtrans-65.5-52.1-176.6-16973.4000112.4C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 3.25Å; V11-L15 HydrophobicContact CG1-CD2 4.43Å; V11-L15 HydrophobicContact CG2-CD2 4.36Å; L15-A18 PolarHBondContact O-N 3.41Å; L15-A19 WeakPolarHBondContact O-CB 3.27Å; L15-A19 PolarHBondContact O-N 3.44Å; L15-L135 HydrophobicContact CD2-CD2 3.82Å
16L87.2Confident80.3Confident0 Ų041.4 Ų41.40%024%0.236CC..Hα-helixtrans-61.7-52.1-180-17960.8000113.7V11 A18 A19 L20 F61 T65 T136V11-L16 WeakPolarHBondContact O-CB 3.28Å; V11-L16 PolarHBondContact O-N 3.34Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 3.49Å; L16-A19 PolarHBondContact O-N 2.86Å; L16-L20 HydrophobicContact CD1-CD1 4.1Å; L16-L20 HydrophobicContact CD1-CG 4.24Å; L16-L20 HydrophobicContact CG-CD1 4.04Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 2.69Å; L16-F61 HydrophobicContact CD2-CE1 3.76Å; L16-F61 HydrophobicContact CD2-CZ 4.46Å; L16-T65 HydrophobicContact CD1-CG2 4.08Å; L16-T65 HydrophobicContact CD2-CG2 4.4Å; L16-T136 HydrophobicContact CB-CG2 3.9Å; L16-T136 HydrophobicContact CD1-CG2 4.19Å; L16-T136 HydrophobicContact CD2-CG2 4.24Å; L16-T136 HydrophobicContact CG-CG2 4.34Å
17P83.3Confident80.8Confident2 Ų235.2 Ų35.21%0.01320%0.203CC..Hα-helixtrans-65.6-30.6177.924-33.2000113.2V12 K13 L21 A39V12-P17 WeakPolarHBondContact O-CD 3.5Å; K13-P17 WeakPolarHBondContact O-CG 3.26Å; P17-L21 WeakPolarHBondContact O-CB 3.42Å; P17-L21 WeakPolarHBondContact O-CG 3.31Å; P17-L21 PolarHBondContact O-N 2.97Å; P17-A39 HydrophobicContact CB-CB 4.02Å
18A82.4Confident81Confident56 Ų5631.8 Ų31.846%0.46319%0.186SC..Hα-helixtrans-65.9-43.6172.700000111.9L14 L15 L16 L21 A22L14-A18 WeakPolarHBondContact O-CB 3.09Å; L14-A18 PolarHBondContact O-N 2.88Å; L14-A18 VanDerWaalsContact O-N 3.11Å; L15-A18 PolarHBondContact O-N 3.41Å; L16-A18 VanDerWaalsContact C-N 3.3Å; L16-A18 PolarHBondContact O-N 3.49Å; A18-L21 PolarHBondContact O-N 2.82Å; A18-A22 VanDerWaalsContact O-CB 3.3Å; A18-A22 WeakPolarHBondContact O-CB 3.47Å; A18-A22 PolarHBondContact O-N 3.27Å
19A86.7Confident81.2Confident16 Ų1631.4 Ų31.413%0.13218%0.184CC..Hα-helixtrans-64.5-40.2175.800000112.5L15 L16 A22 A23 I128 A132L15-A19 WeakPolarHBondContact O-CB 3.27Å; L15-A19 PolarHBondContact O-N 3.44Å; L16-A19 PolarHBondContact O-N 2.86Å; A19-A22 PolarHBondContact O-N 2.96Å; A19-A23 WeakPolarHBondContact O-CB 3.26Å; A19-A23 PolarHBondContact O-N 2.93Å; A19-I128 HydrophobicContact CB-CG2 4.15Å; A19-A132 HydrophobicContact CB-CB 3.44Å; A19-A132 VanDerWaalsContact CB-CB 3.44Å
20L89Confident81.7Confident1 Ų133.8 Ų33.81%0.00519%0.192CC..Hα-helixtrans-66.5-42.5176-71.3169.9000112.4L16 A23 A24 Y35 L38 A39 T65L16-L20 HydrophobicContact CD1-CD1 4.1Å; L16-L20 HydrophobicContact CD1-CG 4.24Å; L16-L20 HydrophobicContact CG-CD1 4.04Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 2.69Å; L20-A23 PolarHBondContact O-N 3.35Å; L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.35Å; L20-Y35 HydrophobicContact CD2-CD1 3.84Å; L20-Y35 HydrophobicContact CD2-CG 4.26Å; L20-L38 HydrophobicContact CD1-CB 3.82Å; L20-A39 HydrophobicContact CB-CB 4.08Å; L20-T65 HydrophobicContact CD1-CG2 4.24Å; L20-T65 HydrophobicContact CD2-CG2 4.39Å
21L84.8Confident82.1Confident18 Ų1833.2 Ų33.29%0.09419%0.185CC..Hα-helixtrans-67.2-37.9174.6-75.4167.4000112P17 A18 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.42Å; P17-L21 WeakPolarHBondContact O-CG 3.31Å; P17-L21 PolarHBondContact O-N 2.97Å; A18-L21 PolarHBondContact O-N 2.82Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 3.1Å; L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 2.99Å; L21-A39 HydrophobicContact CD1-CB 4.29Å; L21-A39 HydrophobicContact CD2-CB 4.19Å; L21-A39 HydrophobicContact CG-CB 3.77Å; L21-F249 HydrophobicContact CD2-CE1 4.31Å; L21-F249 HydrophobicContact CD2-CZ 4.38Å; L21-L317 HydrophobicContact CD1-CD1 4.37Å; L21-L317 HydrophobicContact CD1-CD2 4.21Å
22A84.2Confident82.1Confident40 Ų4032.9 Ų32.933%0.33118%0.183SC..Hα-helixtrans-62.4-47.6173.800000111.4A18 A19 A24 I25 I26A18-A22 VanDerWaalsContact O-CB 3.3Å; A18-A22 WeakPolarHBondContact O-CB 3.47Å; A18-A22 PolarHBondContact O-N 3.27Å; A19-A22 PolarHBondContact O-N 2.96Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 3.41Å; A22-I25 PolarHBondContact O-N 3.38Å; A22-I26 WeakPolarHBondContact O-CD1 3.22Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 2.93Å; A22-I26 VanDerWaalsContact O-N 3.1Å
23A82.8Confident82.2Confident1 Ų134.3 Ų34.31%0.00819%0.19CC..Hα-helixtrans-59.1-39175.100000112.3A19 L20 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.26Å; A19-A23 PolarHBondContact O-N 2.93Å; L20-A23 PolarHBondContact O-N 3.35Å; A23-Y35 HydrophobicContact CB-CD2 4.1Å; A23-Y35 HydrophobicContact CB-CE2 4.21Å; A23-P125 HydrophobicContact CB-CB 4.05Å; A23-A129 HydrophobicContact CB-CB 4.2Å
24A84.1Confident82.7Confident0 Ų032.4 Ų32.40%019%0.186CC..Hα-helixtrans-63.4-51.9175.800000112.5L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.35Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 3.1Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 3.41Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.38Å; A24-R27 CarbonylContact O-C 3.56Å; A24-R27 VanDerWaalsContact O-C 3.32Å; A24-R27 PolarHBondContact O-N 2.87Å; A24-R27 VanDerWaalsContact O-N 3.16Å; A24-V36 HydrophobicContact CB-CG2 3.7Å; A24-Y253 HydrophobicContact CB-CE2 4.18Å; A24-Y253 WeakPolarHBondContact CB-OH 3.44Å; A24-Y253 PolarHBondContact O-OH 3.39Å
25I79.3Confident83.4Confident100 Ų10026.7 Ų26.751%0.51316%0.156SC..Hα-helixtrans-61.3-32.2-179.3-67.9163.6000112.2L21 A22L21-I25 WeakPolarHBondContact O-CD1 3.46Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 2.99Å; A22-I25 PolarHBondContact O-N 3.38Å
26I77.3Confident83.5Confident48 Ų4823 Ų2325%0.24614%0.137CC..Hα-helixtrans-70.4-29.1179.3-66.1160.9000112.6A22 A24 R121 L124 P125 I128A22-I26 WeakPolarHBondContact O-CD1 3.22Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 2.93Å; A22-I26 VanDerWaalsContact O-N 3.1Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.38Å; I26-R121 HydrophobicContact CG2-CB 4.07Å; I26-R121 HydrophobicContact CG2-CG 4.21Å; I26-L124 HydrophobicContact CD1-CD2 4.35Å; I26-P125 HydrophobicContact CB-CG 4.03Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; I26-I128 HydrophobicContact CD1-CD1 3.64Å
27R77.5Confident83.5Confident12 Ų1227.1 Ų27.15%0.04516%0.159CC..SBendtrans-143.280.3-179.8-164.5-177.881.2-145.1-5.6112.6A24 S29 S32 G107 A122 P125 E126A24-R27 CarbonylContact O-C 3.56Å; A24-R27 VanDerWaalsContact O-C 3.32Å; A24-R27 PolarHBondContact O-N 2.87Å; A24-R27 VanDerWaalsContact O-N 3.16Å; R27-S29 PolarHBondContact O-N 2.69Å; R27-S29 PolarHBondContact O-OG 3.01Å; R27-S29 VanDerWaalsContact O-OG 3.07Å; R27-S32 WeakPolarHBondContact O-CB 3.38Å; R27-S32 PolarHBondContact O-OG 2.6Å; R27-G107 PolarHBondContact NE-O 3.38Å; R27-A122 PolarHBondContact NH1-O 2.91Å; R27-P125 HydrophobicContact CB-CG 3.86Å; R27-E126 IonicContact CZ-OE1 2.63Å; R27-E126 VanDerWaalsContact CZ-OE1 3.23Å; R27-E126 IonicContact NH1-OE1 3.95Å; R27-E126 PolarHBondContact NH1-OE1 3.25Å; R27-E126 IonicContact NH2-OE1 3.94Å; R27-E126 PolarHBondContact NH2-OE1 3.06Å
28P77.2Confident83.8Confident13 Ų1328.2 Ų28.28%0.08416%0.164CC..  trans-62.4109.3176.126-34000111Q256 M281P28-Q256 HydrophobicContact CB-CB 4.44Å; P28-M281 HydrophobicContact CG-SD 4.13Å
29S80.6Confident84Confident1 Ų125.5 Ų25.51%0.00714%0.142CC..SBendtrans-157.2164.2-174.557.80000111.3R27 L31 S32 I33 S105 I106 G107R27-S29 PolarHBondContact O-N 2.69Å; R27-S29 PolarHBondContact O-OG 3.01Å; R27-S29 VanDerWaalsContact O-OG 3.07Å; S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.08Å; S29-S32 PolarHBondContact N-OG 2.91Å; S29-S32 WeakPolarHBondContact O-CB 3.32Å; S29-S32 PolarHBondContact O-N 2.97Å; S29-S32 PolarHBondContact O-OG 2.94Å; S29-I33 PolarHBondContact O-N 3.4Å; S29-S105 WeakPolarHBondContact CA-O 3.48Å; S29-I106 WeakPolarHBondContact CB-O 3.4Å; S29-G107 VanDerWaalsContact CB-CA 3.49Å
30F84.3Confident83.9Confident73 Ų7325.7 Ų25.732%0.3214%0.141SC..Hα-helixtrans-59.1-36.2178.9-71.2-69.4000113.1S32 I33 S105 I106 I257 I259 W264F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 2.9Å; F30-I33 HydrophobicContact CD1-CD1 3.87Å; F30-I33 WeakPolarHBondContact O-CB 3.41Å; F30-I33 PolarHBondContact O-N 3.13Å; F30-S105 VanDerWaalsContact CD2-O 3.28Å; F30-S105 WeakPolarHBondContact CD2-O 3.43Å; F30-S105 PolarHBondContact N-O 3.1Å; F30-I106 PolarHBondContact N-O 2.95Å; F30-I257 HydrophobicContact CD1-CD1 4.24Å; F30-I257 HydrophobicContact CE1-CD1 4.3Å; F30-I257 HydrophobicContact CE2-CG2 4.45Å; F30-I259 HydrophobicContact CE2-CG2 3.85Å; F30-I259 HydrophobicContact CZ-CG2 3.79Å; F30-W264 HydrophobicContact CZ-CH2 4.11Å
31L83.7Confident83.8Confident47 Ų4729 Ų2925%0.24616%0.161CC..Hα-helixtrans-60.6-37.8173.5-72.5165.4000112.6S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.08Å; L31-I33 VanDerWaalsContact C-N 3.27Å; L31-I33 PolarHBondContact O-N 3.36Å; L31-G34 PolarHBondContact O-N 2.79Å; L31-G34 VanDerWaalsContact O-N 3.11Å; L31-V72 HydrophobicContact CB-CG1 4.49Å; L31-V72 HydrophobicContact CD1-CG1 4.17Å; L31-V72 HydrophobicContact CD2-CG1 4.45Å; L31-V72 HydrophobicContact CD2-CG2 4.2Å; L31-I106 WeakPolarHBondContact CB-O 3.47Å; L31-I106 HydrophobicContact CD1-CG2 3.99Å; L31-I106 WeakPolarHBondContact CD1-O 3.32Å; L31-I106 HydrophobicContact CG-CG2 4.15Å; L31-I106 WeakPolarHBondContact CG-O 3.06Å; L31-I106 PolarHBondContact N-O 3.06Å
32S82.6Confident83.7Confident1 Ų128.1 Ų28.11%0.00716%0.156CC..Hα-helixtrans-68.6-21.2-178.974.30000114.3R27 S29 F30 G34 Y35 V36 Y253R27-S32 WeakPolarHBondContact O-CB 3.38Å; R27-S32 PolarHBondContact O-OG 2.6Å; S29-S32 PolarHBondContact N-OG 2.91Å; S29-S32 WeakPolarHBondContact O-CB 3.32Å; S29-S32 PolarHBondContact O-N 2.97Å; S29-S32 PolarHBondContact O-OG 2.94Å; F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 2.9Å; S32-G34 PolarHBondContact O-N 2.67Å; S32-Y35 WeakPolarHBondContact O-CB 3.46Å; S32-Y35 PolarHBondContact O-N 3.21Å; S32-V36 PolarHBondContact O-N 2.79Å; S32-V36 VanDerWaalsContact O-N 3.14Å; S32-Y253 VanDerWaalsContact CB-OH 3.26Å; S32-Y253 WeakPolarHBondContact CB-OH 3.1Å; S32-Y253 PolarHBondContact OG-OH 3Å
33I84.5Confident83.4Confident34 Ų3426.8 Ų26.817%0.17415%0.145CC..Hα-helixtrans-58.6-33.6171.9-58.5177.2000109.9S29 F30 L31 Y35 V36 L37 Y253 I257S29-I33 PolarHBondContact O-N 3.4Å; F30-I33 HydrophobicContact CD1-CD1 3.87Å; F30-I33 WeakPolarHBondContact O-CB 3.41Å; F30-I33 PolarHBondContact O-N 3.13Å; L31-I33 VanDerWaalsContact C-N 3.27Å; L31-I33 PolarHBondContact O-N 3.36Å; I33-Y35 PolarHBondContact O-N 2.98Å; I33-V36 PolarHBondContact O-N 3.37Å; I33-L37 HydrophobicContact CG2-CD1 4.07Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 WeakPolarHBondContact O-CG 3.33Å; I33-L37 PolarHBondContact O-N 3.24Å; I33-Y253 HydrophobicContact CG1-CE1 4.28Å; I33-I257 HydrophobicContact CD1-CD1 3.86Å; I33-I257 HydrophobicContact CG1-CD1 4.25Å
34G86.5Confident83.2Confident17 Ų1731.3 Ų31.318%0.17517%0.172CC..Hα-helixtrans-59.3-42.4172.800000113L31 S32 L37 L38L31-G34 PolarHBondContact O-N 2.79Å; L31-G34 VanDerWaalsContact O-N 3.11Å; S32-G34 PolarHBondContact O-N 2.67Å; G34-L37 PolarHBondContact O-N 3.28Å; G34-L38 WeakPolarHBondContact O-CB 3.41Å; G34-L38 WeakPolarHBondContact O-CD1 3.36Å; G34-L38 VanDerWaalsContact O-CG 3.23Å; G34-L38 WeakPolarHBondContact O-CG 3.31Å; G34-L38 PolarHBondContact O-N 3.36Å
35Y89.2Confident82.9Confident2 Ų231.6 Ų31.61%0.00817%0.174CC..Hα-helixtrans-66.5-40.9175.7-54.2-39.4000112.2L20 A23 S32 I33 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.84Å; L20-Y35 HydrophobicContact CD2-CG 4.26Å; A23-Y35 HydrophobicContact CB-CD2 4.1Å; A23-Y35 HydrophobicContact CB-CE2 4.21Å; S32-Y35 WeakPolarHBondContact O-CB 3.46Å; S32-Y35 PolarHBondContact O-N 3.21Å; I33-Y35 PolarHBondContact O-N 2.98Å; Y35-L38 PolarHBondContact O-N 3.31Å; Y35-A39 WeakPolarHBondContact O-CB 3.39Å; Y35-A39 PolarHBondContact O-N 3.47Å; Y35-F68 HydrophobicContact CD1-CD1 4.09Å; Y35-F68 AromaticContact CD1-CE1 3.77Å; Y35-F68 HydrophobicContact CD1-CE1 3.77Å; Y35-F68 AromaticContact CE1-CD1 3.96Å; Y35-F68 HydrophobicContact CE1-CD1 3.96Å; Y35-F68 AromaticContact CE1-CE1 3.71Å; Y35-F68 HydrophobicContact CE1-CE1 3.71Å; Y35-E126 PolarHBondContact OH-OE2 3.4Å; Y35-A129 HydrophobicContact CE1-CB 4.17Å
36V86.1Confident82.5Confident2 Ų229.3 Ų29.31%0.01217%0.165CC..Hα-helixtrans-62.1-45.5176.4177.20000110.9A24 S32 I33 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.7Å; S32-V36 PolarHBondContact O-N 2.79Å; S32-V36 VanDerWaalsContact O-N 3.14Å; I33-V36 PolarHBondContact O-N 3.37Å; V36-A39 PolarHBondContact O-N 3.27Å; V36-L40 HydrophobicContact CG1-CD1 4.02Å; V36-L40 HydrophobicContact CG1-CG 4.44Å; V36-L40 WeakPolarHBondContact O-CG 3.17Å; V36-L40 PolarHBondContact O-N 2.88Å; V36-F249 HydrophobicContact CG1-CD1 4.22Å; V36-F249 HydrophobicContact CG1-CE1 3.91Å; V36-Y253 HydrophobicContact CG2-CD1 4.11Å; V36-Y253 HydrophobicContact CG2-CD2 4.16Å; V36-Y253 HydrophobicContact CG2-CE1 3.85Å; V36-Y253 HydrophobicContact CG2-CE2 3.9Å; V36-Y253 HydrophobicContact CG2-CG 4.27Å
37L87.3Confident82.1Confident86 Ų8629.8 Ų29.845%0.4517%0.172SC..Hα-helixtrans-61.1-45.9175.9-72.5170.8000111.8I33 G34 A39 L40 V41 L250I33-L37 HydrophobicContact CG2-CD1 4.07Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 WeakPolarHBondContact O-CB 3.45Å; I33-L37 WeakPolarHBondContact O-CG 3.33Å; I33-L37 PolarHBondContact O-N 3.24Å; G34-L37 PolarHBondContact O-N 3.28Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 3.01Å; L37-L40 PolarHBondContact O-N 2.69Å; L37-V41 WeakPolarHBondContact O-CB 3.41Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.22Å; L37-L250 HydrophobicContact CD2-CD1 4.09Å
38L88.7Confident81.6Confident24 Ų2430 Ų3013%0.12617%0.174CC..Hα-helixtrans-62.3-38.2176.6-71.1166.9000112.2L20 G34 Y35 V41 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.82Å; G34-L38 WeakPolarHBondContact O-CB 3.41Å; G34-L38 WeakPolarHBondContact O-CD1 3.36Å; G34-L38 VanDerWaalsContact O-CG 3.23Å; G34-L38 WeakPolarHBondContact O-CG 3.31Å; G34-L38 PolarHBondContact O-N 3.36Å; Y35-L38 PolarHBondContact O-N 3.31Å; L38-V41 PolarHBondContact O-N 2.71Å; L38-S42 PolarHBondContact O-N 2.84Å; L38-F61 HydrophobicContact CD2-CE2 3.93Å; L38-F61 WeakPolarHBondContact O-CZ 3.42Å; L38-T65 HydrophobicContact CD1-CG2 4.38Å; L38-F68 HydrophobicContact CD1-CB 4.38Å; L38-F68 HydrophobicContact CD1-CD1 3.81Å; L38-F68 HydrophobicContact CD1-CE1 4.46Å; L38-F68 HydrophobicContact CD1-CG 4.24Å
39A86.7Confident81Confident0 Ų036.8 Ų36.80%020%0.198CC..Hα-helixtrans-67.1-44.6175.900000112.7P17 L20 L21 Y35 V36 L37 V41 S42P17-A39 HydrophobicContact CB-CB 4.02Å; L20-A39 HydrophobicContact CB-CB 4.08Å; L21-A39 HydrophobicContact CD1-CB 4.29Å; L21-A39 HydrophobicContact CD2-CB 4.19Å; L21-A39 HydrophobicContact CG-CB 3.77Å; Y35-A39 WeakPolarHBondContact O-CB 3.39Å; Y35-A39 PolarHBondContact O-N 3.47Å; V36-A39 PolarHBondContact O-N 3.27Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 3.01Å; A39-V41 VanDerWaalsContact C-N 3.33Å; A39-V41 PolarHBondContact O-N 3.28Å; A39-S42 WeakPolarHBondContact O-CB 3.28Å; A39-S42 PolarHBondContact O-N 3.15Å
40L85.8Confident79.8Confident19 Ų1945.4 Ų45.410%0.09924%0.235CC..Hα-helixtrans-63.8-37.7175.8-68.8171.8000111.8V36 L37 A43 F320V36-L40 HydrophobicContact CG1-CD1 4.02Å; V36-L40 HydrophobicContact CG1-CG 4.44Å; V36-L40 WeakPolarHBondContact O-CG 3.17Å; V36-L40 PolarHBondContact O-N 2.88Å; L37-L40 PolarHBondContact O-N 2.69Å; L40-A43 PolarHBondContact O-N 3.23Å; L40-F320 HydrophobicContact CB-CZ 4.49Å; L40-F320 HydrophobicContact CD2-CD1 3.9Å; L40-F320 HydrophobicContact CD2-CE1 3.53Å; L40-F320 HydrophobicContact CD2-CE2 4.44Å; L40-F320 HydrophobicContact CD2-CG 4.5Å; L40-F320 HydrophobicContact CD2-CZ 3.84Å
41V86Confident78.7Confident71 Ų7146.8 Ų46.843%0.4325%0.254SS..Hα-helixtrans-65.6-37.1175.2168.60000112L37 L38 A39 A43 V44 L45 F61L37-V41 WeakPolarHBondContact O-CB 3.41Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.22Å; L38-V41 PolarHBondContact O-N 2.71Å; A39-V41 VanDerWaalsContact C-N 3.33Å; A39-V41 PolarHBondContact O-N 3.28Å; V41-A43 VanDerWaalsContact C-N 3.28Å; V41-A43 PolarHBondContact O-N 3.45Å; V41-V44 WeakPolarHBondContact O-CB 3.37Å; V41-V44 PolarHBondContact O-N 3.31Å; V41-L45 PolarHBondContact O-N 3.1Å; V41-F61 HydrophobicContact CB-CE2 4.19Å; V41-F61 HydrophobicContact CG1-CD2 3.92Å; V41-F61 HydrophobicContact CG1-CE2 3.74Å
42S84.3Confident77.5Confident0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-54.6-42.8177.5169.80000112.7V12 L38 A39 V44 L45V12-S42 PolarHBondContact O-OG 3.34Å; L38-S42 PolarHBondContact O-N 2.84Å; A39-S42 WeakPolarHBondContact O-CB 3.28Å; A39-S42 PolarHBondContact O-N 3.15Å; S42-V44 PolarHBondContact O-N 2.91Å; S42-V44 VanDerWaalsContact O-N 3.1Å; S42-L45 WeakPolarHBondContact O-CB 3.43Å; S42-L45 PolarHBondContact O-N 2.94Å; S42-L45 VanDerWaalsContact O-N 3.12Å
43A76.1Confident76.5Confident12 Ų1254.4 Ų54.410%0.09931%0.307CS..Hα-helixtrans-58.4-26.517800000113L40 V41 F320 Y321 V324 K328L40-A43 PolarHBondContact O-N 3.23Å; V41-A43 VanDerWaalsContact C-N 3.28Å; V41-A43 PolarHBondContact O-N 3.45Å; A43-F320 HydrophobicContact CB-CE1 3.92Å; A43-F320 HydrophobicContact CB-CZ 4.45Å; A43-Y321 HydrophobicContact CB-CD1 4.12Å; A43-Y321 HydrophobicContact CB-CE1 3.71Å; A43-V324 HydrophobicContact CB-CG1 4.42Å; A43-K328 PolarHBondContact O-NZ 3.31Å
44V79.6Confident75.6Confident95 Ų9555.8 Ų55.858%0.57631%0.314SS*.Hα-helixtrans-85-21.2-178-1720000112.7V41 S42 K328V41-V44 WeakPolarHBondContact O-CB 3.37Å; V41-V44 PolarHBondContact O-N 3.31Å; S42-V44 PolarHBondContact O-N 2.91Å; S42-V44 VanDerWaalsContact O-N 3.1Å; V44-K328 WeakPolarHBondContact O-CE 3.28Å; V44-K328 PolarHBondContact O-NZ 2.96Å
45L77.7Confident74.9Confident7 Ų757 Ų574%0.03732%0.319CS..SBendtrans-58.6150-174.5-67.6171.5000116.1V12 V41 S42 L57 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.75Å; V41-L45 PolarHBondContact O-N 3.1Å; S42-L45 WeakPolarHBondContact O-CB 3.43Å; S42-L45 PolarHBondContact O-N 2.94Å; S42-L45 VanDerWaalsContact O-N 3.12Å; L45-L57 HydrophobicContact CD2-CD2 4.05Å; L45-F61 HydrophobicContact CD1-CD1 3.47Å; L45-F61 VanDerWaalsContact CD1-CD1 3.47Å; L45-F61 HydrophobicContact CD1-CD2 4.43Å; L45-F61 HydrophobicContact CD1-CE1 3.66Å; L45-F61 HydrophobicContact CD1-CG 3.88Å; L45-F61 HydrophobicContact CD1-CZ 4.23Å; L45-F61 HydrophobicContact CD2-CB 4.37Å; L45-F61 HydrophobicContact CD2-CG 4.35Å; L45-K328 PolarHBondContact O-NZ 3.25Å
46P71.2Confident74.3Confident51 Ų5165.9 Ų65.933%0.33136%0.358SS..PPolyproline II helixtrans-70154.9176.629.4-34.8000112.8V58P46-V58 HydrophobicContact CG-CG2 3.93Å
47P67.7Low73.9Confident58 Ų5871.2 Ų71.238%0.37739%0.386SS..PPolyproline II helixtrans-75.8144.2174.731.5-33.6000113K13K13-P47 VanDerWaalsContact NZ-CA 3.35Å
48I67.2Low73.5Confident18 Ų1867.2 Ų67.29%0.09237%0.365CS..PPolyproline II helixtrans-78.3123.3172.8-58.5170.7000108.3P5 K8 L54P5-I48 HydrophobicContact CB-CG2 4.4Å; K8-I48 HydrophobicContact CB-CD1 3.69Å; I48-L54 HydrophobicContact CD1-CD1 4.15Å; I48-L54 HydrophobicContact CG1-CD1 4.39Å
49R64.5Low73Confident154 Ų15466.5 Ų66.558%0.58136%0.363SS*.  trans-105.7157-175.5-68.1-173.4176.4-157.3-2.7111.5S51R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 2.9Å
50K56.4Low72.9Confident182 Ų18270 Ų7079%0.79139%0.385SS*.THydrogen-bonded Turntrans-64.6-22179-80.9-174.3173.7-171.50115.1P5P5-K50 HydrophobicContact CG-CG 3.76Å
51S60.5Low72.9Confident102 Ų10269.9 Ų69.971%0.71338%0.383SS*.THydrogen-bonded Turntrans-120.98.7-164.855.80000114.9R49R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 2.9Å
52L58.5Low72.8Confident116 Ų11666.5 Ų66.561%0.60736%0.363SS*.SBendtrans-129.8143.3179.6-89.285000110.7
53A61.2Low72.9Confident93 Ų9369.8 Ų69.877%0.76938%0.38SS*.PPolyproline II helixtrans-52.6150.9166.400000111.4
54L66.6Low73.5Confident63 Ų6373.6 Ų73.633%0.3340%0.397SS..PPolyproline II helixtrans-54.2124.9-176.8-167.581.6000110.3I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.15Å; I48-L54 HydrophobicContact CG1-CD1 4.39Å; L54-K56 PolarHBondContact O-N 3.45Å; L54-V140 HydrophobicContact CD1-CG1 3.71Å; L54-V140 HydrophobicContact CD2-CG1 3.64Å; L54-V140 HydrophobicContact CG-CG1 4.31Å
55P71.7Confident73.9Confident43 Ų4369 Ų6928%0.27937%0.37SS..PPolyproline II helixtrans-60.6128.3-177.1-23.132.4000110.9L57 V58 G59P55-L57 PolarHBondContact O-N 3.37Å; P55-L57 VanDerWaalsContact O-N 3.12Å; P55-V58 HydrophobicContact CB-CB 4.47Å; P55-V58 HydrophobicContact CB-CG2 4.13Å; P55-V58 HydrophobicContact CG-CG2 4.32Å; P55-V58 WeakPolarHBondContact O-CB 3.48Å; P55-V58 PolarHBondContact O-N 3.07Å; P55-G59 PolarHBondContact O-N 3.11Å
56K75.5Confident74.4Confident188 Ų18871.4 Ų71.482%0.81738%0.38SS*.Hα-helixtrans-45.8-48.6-179.3-72.9-173.3176.8-177.60111.8L54 V58 G59 T60L54-K56 PolarHBondContact O-N 3.45Å; K56-V58 VanDerWaalsContact C-N 3.28Å; K56-V58 PolarHBondContact O-N 3.28Å; K56-G59 PolarHBondContact O-N 3.14Å; K56-G59 VanDerWaalsContact O-N 3.07Å; K56-T60 PolarHBondContact O-N 2.89Å; K56-T60 PolarHBondContact O-OG1 3.05Å
57L79.7Confident75.2Confident114 Ų11473.7 Ų73.760%0.59739%0.389SS*.Hα-helixtrans-52.5-39.3177.4-164.384.5000114.1L45 P55 F61L45-L57 HydrophobicContact CD2-CD2 4.05Å; P55-L57 PolarHBondContact O-N 3.37Å; P55-L57 VanDerWaalsContact O-N 3.12Å; L57-F61 VanDerWaalsContact O-CB 3.24Å; L57-F61 WeakPolarHBondContact O-CB 3.49Å; L57-F61 PolarHBondContact O-N 2.94Å
58V78.8Confident76.3Confident2 Ų274.1 Ų74.11%0.01239%0.385CS..Hα-helixtrans-74.1-40.7179.4176.40000110.4P46 P55 K56 V62P46-V58 HydrophobicContact CG-CG2 3.93Å; P55-V58 HydrophobicContact CB-CB 4.47Å; P55-V58 HydrophobicContact CB-CG2 4.13Å; P55-V58 HydrophobicContact CG-CG2 4.32Å; P55-V58 WeakPolarHBondContact O-CB 3.48Å; P55-V58 PolarHBondContact O-N 3.07Å; K56-V58 VanDerWaalsContact C-N 3.28Å; K56-V58 PolarHBondContact O-N 3.28Å; V58-V62 WeakPolarHBondContact O-CG2 3.21Å; V58-V62 PolarHBondContact O-N 3.35Å; V58-V62 VanDerWaalsContact O-N 3.1Å
59G78.2Confident77.3Confident9 Ų973.2 Ų73.29%0.09338%0.38CS..Hα-helixtrans-60.4-50.317200000111.9P55 K56 F61 V62 I63P55-G59 PolarHBondContact O-N 3.11Å; K56-G59 PolarHBondContact O-N 3.14Å; K56-G59 VanDerWaalsContact O-N 3.07Å; G59-F61 PolarHBondContact O-N 3.49Å; G59-V62 PolarHBondContact O-N 2.89Å; G59-I63 WeakPolarHBondContact O-CD1 3.28Å; G59-I63 VanDerWaalsContact O-CG1 3.29Å; G59-I63 WeakPolarHBondContact O-CG1 3.44Å; G59-I63 PolarHBondContact O-N 3.41Å
60T83.3Confident78.4Confident73 Ų7369.3 Ų69.345%0.44837%0.371SS..Hα-helixtrans-61.7-41.8178.7-41.50000112K56 I63 I64K56-T60 PolarHBondContact O-N 2.89Å; K56-T60 PolarHBondContact O-OG1 3.05Å; T60-I63 PolarHBondContact O-N 2.87Å; T60-I64 HydrophobicContact CG2-CD1 3.81Å; T60-I64 HydrophobicContact CG2-CG1 4.35Å; T60-I64 WeakPolarHBondContact O-CB 3.34Å; T60-I64 VanDerWaalsContact O-CG1 3.27Å; T60-I64 WeakPolarHBondContact O-CG1 3.48Å; T60-I64 PolarHBondContact O-N 3.34Å
61F85.6Confident80Confident16 Ų1663.5 Ų63.57%0.0736%0.356CS..Hα-helixtrans-60.9-45.6176.5172-97.5000112.5L16 L38 V41 L45 L57 G59 I63 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.76Å; L16-F61 HydrophobicContact CD2-CZ 4.46Å; L38-F61 HydrophobicContact CD2-CE2 3.93Å; L38-F61 WeakPolarHBondContact O-CZ 3.42Å; V41-F61 HydrophobicContact CB-CE2 4.19Å; V41-F61 HydrophobicContact CG1-CD2 3.92Å; V41-F61 HydrophobicContact CG1-CE2 3.74Å; L45-F61 HydrophobicContact CD1-CD1 3.47Å; L45-F61 VanDerWaalsContact CD1-CD1 3.47Å; L45-F61 HydrophobicContact CD1-CD2 4.43Å; L45-F61 HydrophobicContact CD1-CE1 3.66Å; L45-F61 HydrophobicContact CD1-CG 3.88Å; L45-F61 HydrophobicContact CD1-CZ 4.23Å; L45-F61 HydrophobicContact CD2-CB 4.37Å; L45-F61 HydrophobicContact CD2-CG 4.35Å; L57-F61 VanDerWaalsContact O-CB 3.24Å; L57-F61 WeakPolarHBondContact O-CB 3.49Å; L57-F61 PolarHBondContact O-N 2.94Å; G59-F61 PolarHBondContact O-N 3.49Å; F61-I63 VanDerWaalsContact C-N 3.35Å; F61-I64 PolarHBondContact O-N 3.11Å; F61-T65 WeakPolarHBondContact O-CB 3.43Å; F61-T65 PolarHBondContact O-N 3.46Å; F61-T65 PolarHBondContact O-OG1 3.45Å
62V85.4Confident81.2Confident0 Ų059.1 Ų59.10%033%0.325CS..Hα-helixtrans-65.3-39.4179.1170.40000110.9V58 G59 F66 I137V58-V62 WeakPolarHBondContact O-CG2 3.21Å; V58-V62 PolarHBondContact O-N 3.35Å; V58-V62 VanDerWaalsContact O-N 3.1Å; G59-V62 PolarHBondContact O-N 2.89Å; V62-F66 PolarHBondContact O-N 2.99Å; V62-F66 VanDerWaalsContact O-N 3.1Å; V62-I137 HydrophobicContact CG1-CB 4.41Å; V62-I137 HydrophobicContact CG1-CG1 3.46Å; V62-I137 VanDerWaalsContact CG1-CG1 3.46Å
63I86.3Confident82.5Confident69 Ų6955 Ų5535%0.35431%0.309SS..Hα-helixtrans-64.5-49.8174.4-67164000111.4G59 T60 F61 T65 F66 L67 M141G59-I63 WeakPolarHBondContact O-CD1 3.28Å; G59-I63 VanDerWaalsContact O-CG1 3.29Å; G59-I63 WeakPolarHBondContact O-CG1 3.44Å; G59-I63 PolarHBondContact O-N 3.41Å; T60-I63 PolarHBondContact O-N 2.87Å; F61-I63 VanDerWaalsContact C-N 3.35Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 2.89Å; I63-F66 PolarHBondContact O-N 3.45Å; I63-L67 HydrophobicContact CG2-CD1 3.8Å; I63-L67 HydrophobicContact CG2-CG 4.29Å; I63-L67 WeakPolarHBondContact O-CG 3.2Å; I63-L67 PolarHBondContact O-N 2.85Å; I63-M141 HydrophobicContact CD1-CE 3.99Å; I63-M141 HydrophobicContact CD1-SD 4.24Å; I63-M141 HydrophobicContact CG1-CE 3.85Å; I63-M141 HydrophobicContact CG1-SD 4.38Å
64I87.7Confident83.7Confident92 Ų9256.1 Ų56.147%0.47230%0.301SS..Hα-helixtrans-59.1-42177.9-71.8168.6000110.8T60 F61 F66 L67 F68T60-I64 HydrophobicContact CG2-CD1 3.81Å; T60-I64 HydrophobicContact CG2-CG1 4.35Å; T60-I64 WeakPolarHBondContact O-CB 3.34Å; T60-I64 VanDerWaalsContact O-CG1 3.27Å; T60-I64 WeakPolarHBondContact O-CG1 3.48Å; T60-I64 PolarHBondContact O-N 3.34Å; F61-I64 PolarHBondContact O-N 3.11Å; I64-F66 PolarHBondContact O-N 3.22Å; I64-L67 PolarHBondContact O-N 3.47Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 PolarHBondContact O-N 3.28Å
65T87.2Confident84.5Confident0 Ų054.5 Ų54.50%030%0.299CS..Hα-helixtrans-61.7-45.3179-570000111.1L16 L20 L38 F61 I63 F68 C69 A133L16-T65 HydrophobicContact CD1-CG2 4.08Å; L16-T65 HydrophobicContact CD2-CG2 4.4Å; L20-T65 HydrophobicContact CD1-CG2 4.24Å; L20-T65 HydrophobicContact CD2-CG2 4.39Å; L38-T65 HydrophobicContact CD1-CG2 4.38Å; F61-T65 WeakPolarHBondContact O-CB 3.43Å; F61-T65 PolarHBondContact O-N 3.46Å; F61-T65 PolarHBondContact O-OG1 3.45Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 2.89Å; T65-F68 PolarHBondContact O-N 2.92Å; T65-C69 PolarHBondContact O-N 3.41Å; T65-C69 PolarHBondContact O-SG 2.94Å; T65-A133 HydrophobicContact CG2-CB 4.5Å
66F88.2Confident85Confident57 Ų5752.9 Ų52.925%0.2529%0.288CS..Hα-helixtrans-65.7-45175.9175-102.8000112.8V62 I63 I64 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 2.99Å; V62-F66 VanDerWaalsContact O-N 3.1Å; I63-F66 PolarHBondContact O-N 3.45Å; I64-F66 PolarHBondContact O-N 3.22Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.4Å; F66-C69 PolarHBondContact O-N 2.95Å; F66-L70 HydrophobicContact CE1-CD2 4.24Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.26Å; F66-L70 WeakPolarHBondContact O-CB 3.19Å; F66-L70 PolarHBondContact O-N 3.49Å; F66-A133 HydrophobicContact CB-CB 4.23Å; F66-A133 HydrophobicContact CD2-CB 4.25Å; F66-L134 HydrophobicContact CE2-CD1 4.27Å; F66-I137 HydrophobicContact CB-CD1 3.37Å; F66-I137 HydrophobicContact CB-CG1 4.42Å; F66-I137 HydrophobicContact CD1-CD1 3.74Å; F66-I137 HydrophobicContact CD2-CD1 3.88Å; F66-I137 HydrophobicContact CE1-CD1 4.49Å; F66-I137 HydrophobicContact CG-CD1 3.38Å
67L89Confident85.3Confident98 Ų9845.4 Ų45.451%0.51327%0.265SS..Hα-helixtrans-61.2-39.6177.1-71.2174.1000112I63 I64 A71I63-L67 HydrophobicContact CG2-CD1 3.8Å; I63-L67 HydrophobicContact CG2-CG 4.29Å; I63-L67 WeakPolarHBondContact O-CG 3.2Å; I63-L67 PolarHBondContact O-N 2.85Å; I64-L67 PolarHBondContact O-N 3.47Å; L67-A71 VanDerWaalsContact O-CB 3.28Å; L67-A71 WeakPolarHBondContact O-CB 3.45Å; L67-A71 PolarHBondContact O-N 2.97Å
68F90.5Very high85.5Confident67 Ų6743.3 Ų43.329%0.29426%0.26SS..Hα-helixtrans-64.7-50.4174.4-174.6-100000111.2Y35 L38 I64 T65 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.09Å; Y35-F68 AromaticContact CD1-CE1 3.77Å; Y35-F68 HydrophobicContact CD1-CE1 3.77Å; Y35-F68 AromaticContact CE1-CD1 3.96Å; Y35-F68 HydrophobicContact CE1-CD1 3.96Å; Y35-F68 AromaticContact CE1-CE1 3.71Å; Y35-F68 HydrophobicContact CE1-CE1 3.71Å; L38-F68 HydrophobicContact CD1-CB 4.38Å; L38-F68 HydrophobicContact CD1-CD1 3.81Å; L38-F68 HydrophobicContact CD1-CE1 4.46Å; L38-F68 HydrophobicContact CD1-CG 4.24Å; I64-F68 WeakPolarHBondContact O-CB 3.45Å; I64-F68 PolarHBondContact O-N 3.28Å; T65-F68 PolarHBondContact O-N 2.92Å; F66-F68 VanDerWaalsContact C-N 3.31Å; F66-F68 PolarHBondContact O-N 3.4Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 3.22Å; F68-A71 PolarHBondContact O-N 3.26Å; F68-V72 HydrophobicContact CD1-CG2 4.29Å; F68-V72 HydrophobicContact CE1-CG2 3.92Å; F68-V72 HydrophobicContact CE2-CG2 4.28Å; F68-V72 HydrophobicContact CZ-CG2 3.91Å; F68-V72 WeakPolarHBondContact O-CG2 3.22Å; F68-V72 PolarHBondContact O-N 3.37Å
69C88.8Confident85.6Confident0 Ų044.4 Ų44.40%026%0.264CS..Hα-helixtrans-60.6-38.2178.2-62.10000112.2T65 F66 A73 A129 T130T65-C69 PolarHBondContact O-N 3.41Å; T65-C69 PolarHBondContact O-SG 2.94Å; F66-C69 PolarHBondContact O-N 2.95Å; C69-A73 VanDerWaalsContact O-CB 3.3Å; C69-A73 WeakPolarHBondContact O-CB 3.5Å; C69-A73 PolarHBondContact O-N 3.43Å; C69-A129 HydrophobicContact CB-CB 4.42Å; C69-T130 HydrophobicContact CB-CG2 3.82Å
70L88.1Confident85.7Confident72 Ų7246.2 Ų46.238%0.37727%0.27SS..Hα-helixtrans-66.7-44175.9-174.269.2000111.8F66 F68 A73 L74F66-L70 HydrophobicContact CE1-CD2 4.24Å; F66-L70 HydrophobicContact CZ-CD2 4.49Å; F66-L70 VanDerWaalsContact O-CB 3.26Å; F66-L70 WeakPolarHBondContact O-CB 3.19Å; F66-L70 PolarHBondContact O-N 3.49Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 3.22Å; L70-A73 PolarHBondContact O-N 3Å; L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.36Å; L70-L74 PolarHBondContact O-N 2.89Å
71A88.5Confident85.5Confident59 Ų5948.3 Ų48.349%0.48828%0.277SS..Hα-helixtrans-64.4-40.8178.400000112.4L67 F68 L74 G75L67-A71 VanDerWaalsContact O-CB 3.28Å; L67-A71 WeakPolarHBondContact O-CB 3.45Å; L67-A71 PolarHBondContact O-N 2.97Å; F68-A71 PolarHBondContact O-N 3.26Å; A71-L74 PolarHBondContact O-N 3.22Å; A71-G75 PolarHBondContact O-N 2.92Å
72V86Confident85.1Confident10 Ų1050.1 Ų50.16%0.06129%0.292CS..Hα-helixtrans-67.9-43.8175.6-174.20000110.9L31 F68 L74 G75 V76 E126L31-V72 HydrophobicContact CB-CG1 4.49Å; L31-V72 HydrophobicContact CD1-CG1 4.17Å; L31-V72 HydrophobicContact CD2-CG1 4.45Å; L31-V72 HydrophobicContact CD2-CG2 4.2Å; F68-V72 HydrophobicContact CD1-CG2 4.29Å; F68-V72 HydrophobicContact CE1-CG2 3.92Å; F68-V72 HydrophobicContact CE2-CG2 4.28Å; F68-V72 HydrophobicContact CZ-CG2 3.91Å; F68-V72 WeakPolarHBondContact O-CG2 3.22Å; F68-V72 PolarHBondContact O-N 3.37Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 2.78Å; V72-G75 PolarHBondContact O-N 2.66Å; V72-G75 VanDerWaalsContact O-N 3.15Å; V72-V76 HydrophobicContact CG1-CG2 4.35Å; V72-V76 WeakPolarHBondContact O-CG2 3.45Å; V72-V76 PolarHBondContact O-N 3.04Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.49Å; V72-E126 VanDerWaalsContact CG1-OE2 3.25Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.31Å
73A85.7Confident84.5Confident31 Ų3151.3 Ų51.326%0.25630%0.298SS..Hα-helixtrans-59.7-40175.700000112.8C69 L70 G77 E126 T130C69-A73 VanDerWaalsContact O-CB 3.3Å; C69-A73 WeakPolarHBondContact O-CB 3.5Å; C69-A73 PolarHBondContact O-N 3.43Å; L70-A73 PolarHBondContact O-N 3Å; A73-G77 PolarHBondContact O-N 3.39Å; A73-E126 HydrophobicContact CB-CB 4.34Å; A73-T130 HydrophobicContact CB-CG2 4.06Å
74L86.6Confident83.7Confident116 Ų11654.3 Ų54.361%0.60731%0.31SS*.Hα-helixtrans-67.1-40.3174.2-72.5170.1000112.4L70 A71 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.18Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 VanDerWaalsContact O-CG 3.28Å; L70-L74 WeakPolarHBondContact O-CG 3.36Å; L70-L74 PolarHBondContact O-N 2.89Å; A71-L74 PolarHBondContact O-N 3.22Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 2.78Å; L74-G77 PolarHBondContact O-N 3.43Å; L74-S78 PolarHBondContact O-N 3.41Å; L74-S78 PolarHBondContact O-OG 2.98Å
75G83.7Confident83Confident29 Ų2955.4 Ų55.430%0.29932%0.321SS..Hα-helixtrans-68.5-36.9177.200000113.9A71 V72 S78 Y79A71-G75 PolarHBondContact O-N 2.92Å; V72-G75 PolarHBondContact O-N 2.66Å; V72-G75 VanDerWaalsContact O-N 3.15Å; G75-S78 PolarHBondContact O-OG 3.32Å; G75-S78 VanDerWaalsContact O-OG 3.07Å; G75-Y79 WeakPolarHBondContact O-CB 3.36Å; G75-Y79 PolarHBondContact O-N 3.45Å; G75-Y79 VanDerWaalsContact O-N 3.17Å
76V82.6Confident82.2Confident8 Ų859.9 Ų59.95%0.04835%0.348CS..Hα-helixtrans-68.1-42.9170.5174.60000109.9V72 S78 Y79 Q80 L108 E126V72-V76 HydrophobicContact CG1-CG2 4.35Å; V72-V76 WeakPolarHBondContact O-CG2 3.45Å; V72-V76 PolarHBondContact O-N 3.04Å; V76-S78 PolarHBondContact O-N 3.14Å; V76-Y79 PolarHBondContact O-N 2.98Å; V76-Q80 HydrophobicContact CG1-CG 4.42Å; V76-Q80 WeakPolarHBondContact O-CG 3.3Å; V76-Q80 PolarHBondContact O-N 3.2Å; V76-L108 HydrophobicContact CG2-CD2 4.27Å; V76-E126 HydrophobicContact CG2-CG 4.31Å
77G80.9Confident80.9Confident31 Ų3159.3 Ų59.332%0.3235%0.346SS..Hα-helixtrans-57.9-47.7176.700000113.2A73 L74 Y79 Q80 I81A73-G77 PolarHBondContact O-N 3.39Å; L74-G77 PolarHBondContact O-N 3.43Å; G77-Y79 PolarHBondContact O-N 3.33Å; G77-Q80 PolarHBondContact O-N 2.93Å; G77-I81 WeakPolarHBondContact O-CD1 3.42Å; G77-I81 VanDerWaalsContact O-CG1 3.28Å; G77-I81 WeakPolarHBondContact O-CG1 3.39Å; G77-I81 PolarHBondContact O-N 3.34Å; G77-I81 VanDerWaalsContact O-N 3.1Å
78S83.6Confident79.4Confident71 Ų7162.4 Ų62.450%0.49736%0.355SS..Hα-helixtrans-65.4-37.6177.461.90000112.6L74 G75 V76 I81 S82L74-S78 PolarHBondContact O-N 3.41Å; L74-S78 PolarHBondContact O-OG 2.98Å; G75-S78 PolarHBondContact O-OG 3.32Å; G75-S78 VanDerWaalsContact O-OG 3.07Å; V76-S78 PolarHBondContact O-N 3.14Å; S78-I81 PolarHBondContact O-N 3.15Å; S78-S82 PolarHBondContact O-N 3.43Å; S78-S82 PolarHBondContact O-OG 3.35Å
79Y82.7Confident77.7Confident25 Ų2566.2 Ų66.210%0.09838%0.379CS..Hα-helixtrans-64.8-44.1175.5178.5-106.6000113.1G75 V76 G77 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 3.36Å; G75-Y79 PolarHBondContact O-N 3.45Å; G75-Y79 VanDerWaalsContact O-N 3.17Å; V76-Y79 PolarHBondContact O-N 2.98Å; G77-Y79 PolarHBondContact O-N 3.33Å; Y79-I81 VanDerWaalsContact C-N 3.27Å; Y79-I81 PolarHBondContact O-N 3.47Å; Y79-S82 WeakPolarHBondContact CA-OG 3.08Å; Y79-S82 PolarHBondContact O-N 2.82Å; Y79-S82 PolarHBondContact O-OG 2.98Å; Y79-E83 HydrophobicContact CD1-CG 4.5Å; Y79-E83 HydrophobicContact CD2-CG 4.29Å; Y79-E83 HydrophobicContact CE1-CG 3.92Å; Y79-E83 HydrophobicContact CE2-CG 3.65Å; Y79-E83 VanDerWaalsContact CZ-CG 3.43Å; Y79-E83 PolarHBondContact O-N 3.36Å; Y79-E83 VanDerWaalsContact OH-CD 3.31Å; Y79-E83 WeakPolarHBondContact OH-CG 3.46Å; Y79-E83 PolarHBondContact OH-OE1 3.45Å; Y79-L108 HydrophobicContact CD1-CB 3.69Å; Y79-L108 HydrophobicContact CD1-CD2 4.46Å; Y79-L108 HydrophobicContact CD2-CB 4.09Å; Y79-L108 HydrophobicContact CD2-CD1 4.19Å; Y79-L108 VanDerWaalsContact CE1-C 3.47Å; Y79-L108 HydrophobicContact CE1-CB 3.91Å; Y79-L108 WeakPolarHBondContact CE1-O 3.37Å; Y79-L108 HydrophobicContact CE2-CB 4.31Å; Y79-L108 HydrophobicContact CG-CB 3.79Å; Y79-L108 HydrophobicContact CG-CD1 4.26Å; Y79-L108 HydrophobicContact CG-CD2 4.18Å; Y79-L108 HydrophobicContact CG-CG 4.29Å
80Q78.6Confident76.1Confident46 Ų4670.6 Ų70.622%0.21540%0.402CS..Hα-helixtrans-62.2-37.4174.7-60.8-59.1-20.900111.2V76 G77 Q84 V109V76-Q80 HydrophobicContact CG1-CG 4.42Å; V76-Q80 WeakPolarHBondContact O-CG 3.3Å; V76-Q80 PolarHBondContact O-N 3.2Å; G77-Q80 PolarHBondContact O-N 2.93Å; Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 PolarHBondContact O-N 3.47Å; Q80-Q84 VanDerWaalsContact O-N 3.13Å; Q80-V109 PolarHBondContact NE2-O 3.43Å
81I79.8Confident74.3Confident117 Ų11778.2 Ų78.260%0.643%0.426SS*.Hα-helixtrans-64.6-45.8175.3-68.1164.2000110.8G77 S78 Y79 Q84 V85G77-I81 WeakPolarHBondContact O-CD1 3.42Å; G77-I81 VanDerWaalsContact O-CG1 3.28Å; G77-I81 WeakPolarHBondContact O-CG1 3.39Å; G77-I81 PolarHBondContact O-N 3.34Å; G77-I81 VanDerWaalsContact O-N 3.1Å; S78-I81 PolarHBondContact O-N 3.15Å; Y79-I81 VanDerWaalsContact C-N 3.27Å; Y79-I81 PolarHBondContact O-N 3.47Å; I81-Q84 PolarHBondContact O-N 2.91Å; I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.44Å; I81-V85 PolarHBondContact O-N 2.86Å; I81-V85 VanDerWaalsContact O-N 3.11Å
82S77.8Confident72.6Confident55 Ų5580.9 Ų80.939%0.38544%0.436SS..Hα-helixtrans-65.3-43.9-179.8550000113.1S78 Y79 Q84 V85 V86S78-S82 PolarHBondContact O-N 3.43Å; S78-S82 PolarHBondContact O-OG 3.35Å; Y79-S82 WeakPolarHBondContact CA-OG 3.08Å; Y79-S82 PolarHBondContact O-N 2.82Å; Y79-S82 PolarHBondContact O-OG 2.98Å; S82-Q84 VanDerWaalsContact C-N 3.34Å; S82-Q84 PolarHBondContact O-N 3.02Å; S82-V85 PolarHBondContact O-N 2.97Å; S82-V86 WeakPolarHBondContact O-CG2 3.44Å; S82-V86 PolarHBondContact O-N 3.36Å
83E71.7Confident71.4Confident25 Ų2583.4 Ų83.412%0.11745%0.445CS..Hα-helixtrans-63.4-39.9177.6-76.4-73.6158.100112Y79 V85 H87 R110Y79-E83 HydrophobicContact CD1-CG 4.5Å; Y79-E83 HydrophobicContact CD2-CG 4.29Å; Y79-E83 HydrophobicContact CE1-CG 3.92Å; Y79-E83 HydrophobicContact CE2-CG 3.65Å; Y79-E83 VanDerWaalsContact CZ-CG 3.43Å; Y79-E83 PolarHBondContact O-N 3.36Å; Y79-E83 VanDerWaalsContact OH-CD 3.31Å; Y79-E83 WeakPolarHBondContact OH-CG 3.46Å; Y79-E83 PolarHBondContact OH-OE1 3.45Å; E83-V85 VanDerWaalsContact C-N 3.28Å; E83-V85 PolarHBondContact O-N 2.88Å; E83-H87 PolarHBondContact O-N 3.29Å; E83-R110 IonicContact OE2-NH1 3.25Å; E83-R110 PolarHBondContact OE2-NH1 2.98Å
84Q69.7Low70.2Confident131 Ų13183.6 Ų83.661%0.61244%0.442SS*.Hα-helixtrans-69.2-25.3178.9-167.669.8-2.900113Q80 I81 S82Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 PolarHBondContact O-N 3.47Å; Q80-Q84 VanDerWaalsContact O-N 3.13Å; I81-Q84 PolarHBondContact O-N 2.91Å; S82-Q84 VanDerWaalsContact C-N 3.34Å; S82-Q84 PolarHBondContact O-N 3.02Å
85V73.4Confident69.1Low115 Ų11581 Ų8170%0.69743%0.432SS*.Hα-helixtrans-84.4-42.5175.7169.50000111.9I81 S82 E83I81-V85 VanDerWaalsContact O-CG2 3.28Å; I81-V85 WeakPolarHBondContact O-CG2 3.44Å; I81-V85 PolarHBondContact O-N 2.86Å; I81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 2.97Å; E83-V85 VanDerWaalsContact C-N 3.28Å; E83-V85 PolarHBondContact O-N 2.88Å
86V69.9Low68Low95 Ų9587 Ų8758%0.57646%0.457SS*.Hα-helixtrans-91.3-37.6-168.7-175.10000113.5S82S82-V86 WeakPolarHBondContact O-CG2 3.44Å; S82-V86 PolarHBondContact O-N 3.36Å
87H60.8Low67.2Low44 Ų4492.1 Ų92.120%0.20448%0.476CS..  trans-128.469-167.4-66-58.5000113.9E83 N89 Y93 R110E83-H87 PolarHBondContact O-N 3.29Å; H87-N89 PolarHBondContact O-N 3.04Å; H87-Y93 AromaticContact CD2-CE1 3.5Å; H87-Y93 VanDerWaalsContact CD2-CE1 3.5Å; H87-Y93 WeakPolarHBondContact CD2-CE1 3.24Å; H87-Y93 AromaticContact CD2-CZ 3.96Å; H87-Y93 AromaticContact CE1-CE1 3.81Å; H87-Y93 AromaticContact CE1-CZ 3.52Å; H87-Y93 AromaticContact CG-CE1 3.94Å; H87-Y93 AromaticContact NE2-CE1 3.42Å; H87-Y93 WeakPolarHBondContact NE2-CE1 3.37Å; H87-Y93 AromaticContact NE2-CZ 3.35Å; H87-Y93 PolarHBondContact NE2-OH 3.39Å; H87-Y93 VanDerWaalsContact NE2-OH 3.1Å; H87-R110 PolarHBondContact O-NH1 3.44Å; H87-R110 VanDerWaalsContact O-NH1 3.15Å; H87-R110 PolarHBondContact O-NH2 3.36Å
88K58.1Low66.4Low164 Ų16494.6 Ų94.671%0.71349%0.489SS*.SBendtrans-64.8-37.5-173.9-120175.3-176.71750115.8
89N54.9Low65.6Low146 Ų14694.2 Ų94.278%0.78148%0.481SS*.SBendtrans-126.8-13.1-163.2-80.1-2.7000118.2H87 R91H87-N89 PolarHBondContact O-N 3.04Å; N89-R91 PolarHBondContact O-N 3.16Å
90D54.9Low64.8Low93 Ų9394 Ų9450%0.49748%0.482SS..  trans-85.1103.9-172.3-73.5-38.3000114.4T92D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3.43Å
91R50.9Low64.2Low231 Ų23195 Ų9587%0.87249%0.492SS*.THydrogen-bonded Turntrans-68-26.3172.3-70.3-178.6175.8170.4-1.1113.6N89N89-R91 PolarHBondContact O-N 3.16Å
92T52.8Low63.8Low116 Ų11693.8 Ų93.871%0.71249%0.486SS*.THydrogen-bonded Turntrans-84.7-14.5-177.243.70000113.8D90 I94D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3.43Å; T92-I94 VanDerWaalsContact C-N 3.34Å; T92-I94 PolarHBondContact O-N 2.93Å
93Y60.1Low63.7Low62 Ų6295.1 Ų95.124%0.24349%0.485CS..SBendtrans-67.2-30-174.6-173.8-110.6000114H87 R97H87-Y93 AromaticContact CD2-CE1 3.5Å; H87-Y93 VanDerWaalsContact CD2-CE1 3.5Å; H87-Y93 WeakPolarHBondContact CD2-CE1 3.24Å; H87-Y93 AromaticContact CD2-CZ 3.96Å; H87-Y93 AromaticContact CE1-CE1 3.81Å; H87-Y93 AromaticContact CE1-CZ 3.52Å; H87-Y93 AromaticContact CG-CE1 3.94Å; H87-Y93 AromaticContact NE2-CE1 3.42Å; H87-Y93 WeakPolarHBondContact NE2-CE1 3.37Å; H87-Y93 AromaticContact NE2-CZ 3.35Å; H87-Y93 PolarHBondContact NE2-OH 3.39Å; H87-Y93 VanDerWaalsContact NE2-OH 3.1Å; Y93-R97 PolarHBondContact OH-NH1 3.45Å
94I60.6Low63.7Low36 Ų3696.7 Ų96.719%0.18549%0.49CS..SBendtrans-77.5-33.7-163.2-60.7176.3000113.4T92 T100 W288T92-I94 VanDerWaalsContact C-N 3.34Å; T92-I94 PolarHBondContact O-N 2.93Å; I94-T100 WeakPolarHBondContact O-CB 3.35Å; I94-T100 PolarHBondContact O-OG1 2.89Å; I94-W288 HydrophobicContact CD1-CH2 4.42Å; I94-W288 HydrophobicContact CD1-CZ2 3.61Å; I94-W288 HydrophobicContact CG2-CD2 4.31Å; I94-W288 HydrophobicContact CG2-CG 4.47Å; I94-W288 HydrophobicContact CG2-CZ2 4.48Å
95C64Low63.9Low61 Ų6190.8 Ų90.841%0.41246%0.463SS..SBendtrans-96.6-8.5-172.9-65.20000114.9C285C95-C285 HydrophobicContact CB-CB 3.91Å; C95-C285 WeakPolarHBondContact CB-SG 3.36Å; C95-C285 WeakPolarHBondContact SG-CB 3.38Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.22Å
96N60.8Low64.3Low154 Ų15487.8 Ų87.882%0.82444%0.442SS*.SBendtrans-1085.9-167.5-152.723.7000114.8
97R64.7Low64.4Low117 Ų11783.3 Ų83.344%0.44242%0.415SS..  trans-126.9130.8-173.7-166.4171.6178.5151.67.8110.9Y93 D99 T100Y93-R97 PolarHBondContact OH-NH1 3.45Å; R97-D99 HydrophobicContact CG-CB 4.17Å; R97-D99 IonicContact CZ-OD2 2.87Å; R97-D99 IonicContact NE-OD2 3.09Å; R97-D99 PolarHBondContact NE-OD2 3.02Å; R97-D99 IonicContact NH2-OD2 3.63Å; R97-D99 PolarHBondContact NH2-OD2 3.41Å; R97-D99 VanDerWaalsContact NH2-OD2 3.16Å; R97-D99 PolarHBondContact O-N 2.85Å; R97-D99 VanDerWaalsContact O-N 3.17Å; R97-T100 HydrophobicContact CB-CG2 4.43Å; R97-T100 PolarHBondContact O-N 3.16Å; R97-T100 PolarHBondContact O-OG1 3.05Å
98S65.1Low65.1Low83 Ų8382.8 Ų82.858%0.5841%0.414SS*.Hα-helixtrans-50-41.9176.4430000112.5T100 T101 L102S98-T100 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 3.01Å; S98-T101 PolarHBondContact O-N 3.44Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 3.04Å; S98-L102 PolarHBondContact O-N 3.34Å; S98-L102 VanDerWaalsContact O-N 3.15Å
99D67.4Low65.8Low63 Ų6376 Ų7634%0.33739%0.386SS..Hα-helixtrans-63.8-37.9-171.3-46.7-15.6000111.5R97 L102 F103R97-D99 HydrophobicContact CG-CB 4.17Å; R97-D99 IonicContact CZ-OD2 2.87Å; R97-D99 IonicContact NE-OD2 3.09Å; R97-D99 PolarHBondContact NE-OD2 3.02Å; R97-D99 IonicContact NH2-OD2 3.63Å; R97-D99 PolarHBondContact NH2-OD2 3.41Å; R97-D99 VanDerWaalsContact NH2-OD2 3.16Å; R97-D99 PolarHBondContact O-N 2.85Å; R97-D99 VanDerWaalsContact O-N 3.17Å; D99-L102 PolarHBondContact O-N 3.07Å; D99-F103 HydrophobicContact CB-CE2 4.25Å; D99-F103 WeakPolarHBondContact O-CD2 3.46Å; D99-F103 WeakPolarHBondContact O-CG 3.44Å; D99-F103 PolarHBondContact O-N 3.06Å
100T65.7Low66.6Low20 Ų2071.2 Ų71.212%0.12336%0.357CS..Hα-helixtrans-71-34.1178.560.50000111.9I94 R97 S98 L102 R104I94-T100 WeakPolarHBondContact O-CB 3.35Å; I94-T100 PolarHBondContact O-OG1 2.89Å; R97-T100 HydrophobicContact CB-CG2 4.43Å; R97-T100 PolarHBondContact O-N 3.16Å; R97-T100 PolarHBondContact O-OG1 3.05Å; S98-T100 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 3.01Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.14Å; T100-R104 WeakPolarHBondContact O-CB 3.5Å; T100-R104 PolarHBondContact O-N 2.72Å
101T65.7Low67.4Low68 Ų6871.3 Ų71.342%0.41735%0.353SS..Hα-helixtrans-66.1-36.3173.9730000111.5S98 S105S98-T101 PolarHBondContact O-N 3.44Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 3.04Å; T101-S105 WeakPolarHBondContact O-CB 3.44Å; T101-S105 PolarHBondContact O-N 2.61Å
102L71.6Confident68.2Low91 Ų9162 Ų6248%0.47632%0.319SS..Hα-helixtrans-68.9-49.9176.8-168.3127000110.7S98 D99 T100 R104 S105 I106S98-L102 PolarHBondContact O-N 3.34Å; S98-L102 VanDerWaalsContact O-N 3.15Å; D99-L102 PolarHBondContact O-N 3.07Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.14Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 3.01Å; L102-S105 PolarHBondContact O-N 3.15Å; L102-S105 VanDerWaalsContact O-N 3.13Å; L102-S105 PolarHBondContact O-OG 2.7Å; L102-I106 HydrophobicContact CD2-CD1 3.68Å; L102-I106 HydrophobicContact CG-CD1 4.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.2Å
103F75.7Confident68.6Low82 Ų8261.7 Ų61.736%0.3632%0.319SS..Hα-helixtrans-59.3-41174.9-68.6-52.4000112.9D99 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CE2 4.25Å; D99-F103 WeakPolarHBondContact O-CD2 3.46Å; D99-F103 WeakPolarHBondContact O-CG 3.44Å; D99-F103 PolarHBondContact O-N 3.06Å; F103-S105 PolarHBondContact O-N 3.34Å; F103-I106 HydrophobicContact CD1-CD1 4.39Å; F103-I106 WeakPolarHBondContact O-CB 2.88Å; F103-I106 PolarHBondContact O-N 3.3Å; F103-G107 PolarHBondContact O-N 3.27Å; F103-L108 CarbonylContact C-O 3.59Å; F103-L108 HydrophobicContact CB-CB 4.28Å; F103-L108 HydrophobicContact CD1-CD1 4.11Å; F103-L108 PolarHBondContact O-N 3.29Å
104R71.4Confident68.6Low58 Ų5864 Ų6422%0.21934%0.34CS..Hα-helixtrans-59.8-43.1173.9-172.2173.676.6145.88112.1T100 L102 G107 V109 S283T100-R104 WeakPolarHBondContact O-CB 3.5Å; T100-R104 PolarHBondContact O-N 2.72Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 3.01Å; R104-G107 PolarHBondContact O-N 2.92Å; R104-V109 HydrophobicContact CG-CG2 4.43Å; R104-S283 VanDerWaalsContact CZ-O 3.28Å; R104-S283 PolarHBondContact NH1-O 2.93Å; R104-S283 PolarHBondContact NH2-O 3.35Å
105S74.4Confident68.4Low7 Ų763.3 Ų63.35%0.04934%0.342CS..Hα-helixtrans-68.6-33.7177.176.60000113.3S29 F30 T101 L102 F103 G107S29-S105 WeakPolarHBondContact CA-O 3.48Å; F30-S105 VanDerWaalsContact CD2-O 3.28Å; F30-S105 WeakPolarHBondContact CD2-O 3.43Å; F30-S105 PolarHBondContact N-O 3.1Å; T101-S105 WeakPolarHBondContact O-CB 3.44Å; T101-S105 PolarHBondContact O-N 2.61Å; L102-S105 PolarHBondContact O-N 3.15Å; L102-S105 VanDerWaalsContact O-N 3.13Å; L102-S105 PolarHBondContact O-OG 2.7Å; F103-S105 PolarHBondContact O-N 3.34Å; S105-G107 VanDerWaalsContact C-N 3.3Å
106I80Confident68Low53 Ų5367 Ų6727%0.27236%0.363SS..Hα-helixtrans-63.1-40.3173.2-70.6166.3000110.2S29 F30 L31 L102 F103 L108S29-I106 WeakPolarHBondContact CB-O 3.4Å; F30-I106 PolarHBondContact N-O 2.95Å; L31-I106 WeakPolarHBondContact CB-O 3.47Å; L31-I106 HydrophobicContact CD1-CG2 3.99Å; L31-I106 WeakPolarHBondContact CD1-O 3.32Å; L31-I106 HydrophobicContact CG-CG2 4.15Å; L31-I106 WeakPolarHBondContact CG-O 3.06Å; L31-I106 PolarHBondContact N-O 3.06Å; L102-I106 HydrophobicContact CD2-CD1 3.68Å; L102-I106 HydrophobicContact CG-CD1 4.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.2Å; F103-I106 HydrophobicContact CD1-CD1 4.39Å; F103-I106 WeakPolarHBondContact O-CB 2.88Å; F103-I106 PolarHBondContact O-N 3.3Å; I106-L108 HydrophobicContact CG2-CG 4.29Å
107G72.5Confident68Low0 Ų066.4 Ų66.40%035%0.353CS..THydrogen-bonded Turntrans121.67.6-178.800000113.8R27 S29 F103 R104 S105 V109R27-G107 PolarHBondContact NE-O 3.38Å; S29-G107 VanDerWaalsContact CB-CA 3.49Å; F103-G107 PolarHBondContact O-N 3.27Å; R104-G107 PolarHBondContact O-N 2.92Å; S105-G107 VanDerWaalsContact C-N 3.3Å; G107-V109 PolarHBondContact O-N 3.11Å
108L76.6Confident67.8Low33 Ų3363.8 Ų63.817%0.17335%0.346CS..  trans-8689.2173.9-62.8-178.8000108.3V76 Y79 F103 I106V76-L108 HydrophobicContact CG2-CD2 4.27Å; Y79-L108 HydrophobicContact CD1-CB 3.69Å; Y79-L108 HydrophobicContact CD1-CD2 4.46Å; Y79-L108 HydrophobicContact CD2-CB 4.09Å; Y79-L108 HydrophobicContact CD2-CD1 4.19Å; Y79-L108 VanDerWaalsContact CE1-C 3.47Å; Y79-L108 HydrophobicContact CE1-CB 3.91Å; Y79-L108 WeakPolarHBondContact CE1-O 3.37Å; Y79-L108 HydrophobicContact CE2-CB 4.31Å; Y79-L108 HydrophobicContact CG-CB 3.79Å; Y79-L108 HydrophobicContact CG-CD1 4.26Å; Y79-L108 HydrophobicContact CG-CD2 4.18Å; Y79-L108 HydrophobicContact CG-CG 4.29Å; F103-L108 CarbonylContact C-O 3.59Å; F103-L108 HydrophobicContact CB-CB 4.28Å; F103-L108 HydrophobicContact CD1-CD1 4.11Å; F103-L108 PolarHBondContact O-N 3.29Å; I106-L108 HydrophobicContact CG2-CG 4.29Å
109V72.7Confident67.7Low22 Ų2260.1 Ų60.113%0.13332%0.321CS..  trans-110.2121.6-174.1-176.70000110.1Q80 R104 G107 W288Q80-V109 PolarHBondContact NE2-O 3.43Å; R104-V109 HydrophobicContact CG-CG2 4.43Å; G107-V109 PolarHBondContact O-N 3.11Å; V109-W288 HydrophobicContact CG1-CZ3 4.09Å
110R70.7Confident67.6Low45 Ų4558.4 Ų58.417%0.1731%0.312CS..PPolyproline II helixtrans-62136.2-179.4-179.5175.6174.8159.70.1111.9E83 H87 H112 W288E83-R110 IonicContact OE2-NH1 3.25Å; E83-R110 PolarHBondContact OE2-NH1 2.98Å; H87-R110 PolarHBondContact O-NH1 3.44Å; H87-R110 VanDerWaalsContact O-NH1 3.15Å; H87-R110 PolarHBondContact O-NH2 3.36Å; R110-H112 PolarHBondContact O-N 3.4Å; R110-W288 HydrophobicContact CB-CH2 4.27Å; R110-W288 WeakPolarHBondContact O-CH2 3.39Å; R110-W288 WeakPolarHBondContact O-CZ3 3.45Å
111F72.7Confident67.7Low95 Ų9560.3 Ų60.342%0.41732%0.317SS..PPolyproline II helixtrans-66.1127.8171.8177.8-102.5000111.4F123F111-F123 HydrophobicContact CD2-CD1 4.33Å; F111-F123 HydrophobicContact CD2-CE1 4.07Å; F111-F123 AromaticContact CE2-CE1 3.96Å; F111-F123 HydrophobicContact CE2-CE1 3.96Å
112H67.3Low67.8Low36 Ų3657.5 Ų57.517%0.16730%0.301CS..PPolyproline II helixtrans-97.9123.1-179.4-172-105.9000110.7R110 T114 S119 W288 W289R110-H112 PolarHBondContact O-N 3.4Å; H112-T114 VanDerWaalsContact C-N 3.3Å; H112-T114 PolarHBondContact CE1-OG1 3.48Å; H112-T114 PolarHBondContact ND1-OG1 3.13Å; H112-T114 PolarHBondContact O-N 3.27Å; H112-S119 WeakPolarHBondContact O-CB 3.34Å; H112-S119 PolarHBondContact O-OG 3.02Å; H112-W288 HydrophobicContact CB-CH2 4.09Å; H112-W288 AromaticContact CD2-CZ2 3.85Å; H112-W289 HydrophobicContact CB-CB 4.41Å; H112-W289 AromaticContact NE2-CE3 4Å
113P61Low68.2Low109 Ų10957.2 Ų57.271%0.70830%0.296SS*.THydrogen-bonded Turntrans-76.5-5.8-166.328.7-35.5000115.8
114T60.7Low68.3Low111 Ų11155.7 Ų55.768%0.68129%0.291SS*.THydrogen-bonded Turntrans-120.115.9-174.259.20000115.1H112H112-T114 VanDerWaalsContact C-N 3.3Å; H112-T114 PolarHBondContact CE1-OG1 3.48Å; H112-T114 PolarHBondContact ND1-OG1 3.13Å; H112-T114 PolarHBondContact O-N 3.27Å
115G56.1Low68.7Low22 Ų2252.9 Ų52.923%0.22728%0.281CS..  trans-122116.9175.500000113S119G115-S119 WeakPolarHBondContact CA-OG 3.44Å; G115-S119 WeakPolarHBondContact O-CB 3.46Å; G115-S119 PolarHBondContact O-OG 3.21Å
116T55.7Low69.2Low138 Ų13853 Ų5385%0.84728%0.28SS*.SBendtrans-82.2-22.6-16643.40000116.2
117F60.9Low69.5Low141 Ų14154.8 Ų54.862%0.61829%0.289SS*.SBendtrans-122.1-43.2173.3-163.9-104.2000112.8S119 T120F117-S119 PolarHBondContact O-N 3.05Å; F117-T120 WeakPolarHBondContact O-CB 3.45Å; F117-T120 PolarHBondContact O-N 3.38Å; F117-T120 PolarHBondContact O-OG1 3.09Å
118E60.8Low70.2Confident62 Ų6257 Ų5729%0.2930%0.301SS..G310 helixtrans-65.5-36.9-177.6-58.4-162.1119.700113T120 R121 K290E118-T120 PolarHBondContact O-N 3.19Å; E118-R121 VanDerWaalsContact O-CB 3.27Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 WeakPolarHBondContact O-CG 3.45Å; E118-R121 PolarHBondContact O-N 3.22Å; E118-R121 VanDerWaalsContact O-N 3.14Å; E118-R121 IonicContact OE1-CZ 3.24Å; E118-R121 IonicContact OE1-NH1 2.91Å; E118-R121 IonicContact OE1-NH2 2.72Å; E118-K290 WeakPolarHBondContact OE2-CG 2.98Å
119S61.6Low70.6Confident7 Ų755.4 Ų55.45%0.04929%0.293CS..G310 helixtrans-72-12.3175.7-450000113.3H112 G115 F117 R121H112-S119 WeakPolarHBondContact O-CB 3.34Å; H112-S119 PolarHBondContact O-OG 3.02Å; G115-S119 WeakPolarHBondContact CA-OG 3.44Å; G115-S119 WeakPolarHBondContact O-CB 3.46Å; G115-S119 PolarHBondContact O-OG 3.21Å; F117-S119 PolarHBondContact O-N 3.05Å; S119-R121 VanDerWaalsContact C-N 3.3Å
120T67Low71.3Confident27 Ų2756.1 Ų56.117%0.16630%0.297CS..G310 helixtrans-73.8-22.4171.176.20000112.6F117 E118 A122 F123 L124F117-T120 WeakPolarHBondContact O-CB 3.45Å; F117-T120 PolarHBondContact O-N 3.38Å; F117-T120 PolarHBondContact O-OG1 3.09Å; E118-T120 PolarHBondContact O-N 3.19Å; T120-A122 PolarHBondContact O-N 3.39Å; T120-F123 HydrophobicContact CG2-CE1 4.38Å; T120-F123 HydrophobicContact CG2-CZ 3.92Å; T120-F123 PolarHBondContact O-N 3.47Å; T120-F123 VanDerWaalsContact O-N 3.07Å; T120-L124 VanDerWaalsContact O-CB 3.27Å; T120-L124 WeakPolarHBondContact O-CB 3.47Å; T120-L124 PolarHBondContact O-N 3.21Å
121R66Low72.1Confident59 Ų5957 Ų5722%0.22331%0.31CS..G310 helixtrans-60.4-18.7177.2-59.6-179.9-175.41667.3113.2I26 E118 S119 F123 P125I26-R121 HydrophobicContact CG2-CB 4.07Å; I26-R121 HydrophobicContact CG2-CG 4.21Å; E118-R121 VanDerWaalsContact O-CB 3.27Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 WeakPolarHBondContact O-CG 3.45Å; E118-R121 PolarHBondContact O-N 3.22Å; E118-R121 VanDerWaalsContact O-N 3.14Å; E118-R121 IonicContact OE1-CZ 3.24Å; E118-R121 IonicContact OE1-NH1 2.91Å; E118-R121 IonicContact OE1-NH2 2.72Å; S119-R121 VanDerWaalsContact C-N 3.3Å; R121-F123 VanDerWaalsContact C-N 3.34Å; R121-F123 PolarHBondContact O-N 3.29Å; R121-P125 WeakPolarHBondContact O-CD 3.22Å
122A69.3Low72.8Confident9 Ų953 Ų537%0.07429%0.294CS..G310 helixtrans-64.1-35.3174.400000113.1R27 T120R27-A122 PolarHBondContact NH1-O 2.91Å; T120-A122 PolarHBondContact O-N 3.39Å
123F78.9Confident73.7Confident85 Ų8551.2 Ų51.237%0.37329%0.287SS..THydrogen-bonded Turntrans-119.5-21.3-175.462.9-102.4000114.5F111 T120 R121 P125 E126 I127F111-F123 HydrophobicContact CD2-CD1 4.33Å; F111-F123 HydrophobicContact CD2-CE1 4.07Å; F111-F123 AromaticContact CE2-CE1 3.96Å; F111-F123 HydrophobicContact CE2-CE1 3.96Å; T120-F123 HydrophobicContact CG2-CE1 4.38Å; T120-F123 HydrophobicContact CG2-CZ 3.92Å; T120-F123 PolarHBondContact O-N 3.47Å; T120-F123 VanDerWaalsContact O-N 3.07Å; R121-F123 VanDerWaalsContact C-N 3.34Å; R121-F123 PolarHBondContact O-N 3.29Å; F123-P125 VanDerWaalsContact C-CD 3.44Å; F123-E126 WeakPolarHBondContact O-CB 3.34Å; F123-E126 PolarHBondContact O-N 3.4Å; F123-E126 VanDerWaalsContact O-N 3.15Å; F123-I127 HydrophobicContact CD2-CD1 3.73Å; F123-I127 HydrophobicContact CE2-CD1 4.1Å; F123-I127 PolarHBondContact O-N 3.46Å
124L79.1Confident75Confident50 Ų5050 Ų5026%0.26227%0.274SS..Hα-helixtrans-54.3-41.3179.7-175.871.1000114.5I26 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.35Å; T120-L124 VanDerWaalsContact O-CB 3.27Å; T120-L124 WeakPolarHBondContact O-CB 3.47Å; T120-L124 PolarHBondContact O-N 3.21Å; L124-E126 VanDerWaalsContact C-N 3.28Å; L124-E126 PolarHBondContact O-N 3.47Å; L124-I127 PolarHBondContact O-N 3.05Å; L124-I128 HydrophobicContact CD1-CD1 4.33Å; L124-I128 HydrophobicContact CD2-CD1 4.44Å; L124-I128 HydrophobicContact CG-CD1 3.92Å; L124-I128 WeakPolarHBondContact O-CG1 3.35Å; L124-I128 PolarHBondContact O-N 3.47Å; L124-I128 VanDerWaalsContact O-N 3.09Å
125P79.6Confident76.3Confident0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-56.1-41.5175.6-26.234.6000113.4A23 I26 R27 R121 F123 I127 I128 A129A23-P125 HydrophobicContact CB-CB 4.05Å; I26-P125 HydrophobicContact CB-CG 4.03Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; R27-P125 HydrophobicContact CB-CG 3.86Å; R121-P125 WeakPolarHBondContact O-CD 3.22Å; F123-P125 VanDerWaalsContact C-CD 3.44Å; P125-I127 VanDerWaalsContact C-N 3.34Å; P125-I127 PolarHBondContact O-N 3.22Å; P125-I128 PolarHBondContact O-N 3.15Å; P125-A129 WeakPolarHBondContact O-CB 3.39Å; P125-A129 PolarHBondContact O-N 3.03Å
126E84.7Confident77.7Confident9 Ų947.4 Ų47.44%0.04225%0.25CC..Hα-helixtrans-65.6-40.3-177.6-49.1-59.1158.100110.4R27 Y35 V72 A73 V76 F123 L124 T130R27-E126 IonicContact CZ-OE1 2.63Å; R27-E126 VanDerWaalsContact CZ-OE1 3.23Å; R27-E126 IonicContact NH1-OE1 3.95Å; R27-E126 PolarHBondContact NH1-OE1 3.25Å; R27-E126 IonicContact NH2-OE1 3.94Å; R27-E126 PolarHBondContact NH2-OE1 3.06Å; Y35-E126 PolarHBondContact OH-OE2 3.4Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.49Å; V72-E126 VanDerWaalsContact CG1-OE2 3.25Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.31Å; A73-E126 HydrophobicContact CB-CB 4.34Å; V76-E126 HydrophobicContact CG2-CG 4.31Å; F123-E126 WeakPolarHBondContact O-CB 3.34Å; F123-E126 PolarHBondContact O-N 3.4Å; F123-E126 VanDerWaalsContact O-N 3.15Å; L124-E126 VanDerWaalsContact C-N 3.28Å; L124-E126 PolarHBondContact O-N 3.47Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.38Å; E126-T130 VanDerWaalsContact O-CG2 3.26Å; E126-T130 WeakPolarHBondContact O-CG2 3.28Å; E126-T130 PolarHBondContact O-N 3.43Å; E126-T130 PolarHBondContact O-OG1 3.19Å
127I85.5Confident79.1Confident90 Ų9041.7 Ų41.746%0.46221%0.214SC..Hα-helixtrans-65-45.5176.4-61.1177.2000110.8F123 L124 P125 T130 S131F123-I127 HydrophobicContact CD2-CD1 3.73Å; F123-I127 HydrophobicContact CE2-CD1 4.1Å; F123-I127 PolarHBondContact O-N 3.46Å; L124-I127 PolarHBondContact O-N 3.05Å; P125-I127 VanDerWaalsContact C-N 3.34Å; P125-I127 PolarHBondContact O-N 3.22Å; I127-T130 PolarHBondContact O-OG1 2.96Å; I127-S131 WeakPolarHBondContact O-CB 3.44Å; I127-S131 PolarHBondContact O-N 3.45Å; I127-S131 PolarHBondContact O-OG 3.43Å
128I87Confident80.2Confident46 Ų4638.4 Ų38.424%0.23620%0.202CC..Hα-helixtrans-63.6-46.7179.4-67.1168.2000110.5A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 4.15Å; I26-I128 HydrophobicContact CD1-CD1 3.64Å; L124-I128 HydrophobicContact CD1-CD1 4.33Å; L124-I128 HydrophobicContact CD2-CD1 4.44Å; L124-I128 HydrophobicContact CG-CD1 3.92Å; L124-I128 WeakPolarHBondContact O-CG1 3.35Å; L124-I128 PolarHBondContact O-N 3.47Å; L124-I128 VanDerWaalsContact O-N 3.09Å; P125-I128 PolarHBondContact O-N 3.15Å; I128-S131 PolarHBondContact O-OG 3.26Å; I128-A132 VanDerWaalsContact O-CB 3.3Å; I128-A132 WeakPolarHBondContact O-CB 3.39Å; I128-A132 PolarHBondContact O-N 3.49Å; I128-A132 VanDerWaalsContact O-N 3.15Å
129A85.6Confident81.3Confident1 Ų136.6 Ų36.61%0.00819%0.194CC..Hα-helixtrans-67.6-47.2-178.500000112.4A23 Y35 C69 P125 A133A23-A129 HydrophobicContact CB-CB 4.2Å; Y35-A129 HydrophobicContact CE1-CB 4.17Å; C69-A129 HydrophobicContact CB-CB 4.42Å; P125-A129 WeakPolarHBondContact O-CB 3.39Å; P125-A129 PolarHBondContact O-N 3.03Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 2.86Å; A129-A133 PolarHBondContact O-N 3.3Å
130T87.8Confident82Confident36 Ų3636.5 Ų36.522%0.22119%0.193CC..Hα-helixtrans-67.2-41.718053.40000112.8C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.82Å; A73-T130 HydrophobicContact CB-CG2 4.06Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.38Å; E126-T130 VanDerWaalsContact O-CG2 3.26Å; E126-T130 WeakPolarHBondContact O-CG2 3.28Å; E126-T130 PolarHBondContact O-N 3.43Å; E126-T130 PolarHBondContact O-OG1 3.19Å; I127-T130 PolarHBondContact O-OG1 2.96Å; T130-A133 PolarHBondContact O-N 3.21Å; T130-L134 VanDerWaalsContact O-CB 3.28Å; T130-L134 WeakPolarHBondContact O-CB 3.41Å; T130-L134 PolarHBondContact O-N 3.43Å
131S87.4Confident82.5Confident63 Ų6339.5 Ų39.544%0.44121%0.207SC..Hα-helixtrans-66.6-42.2178.3610000112.4I127 I128 L134 L135I127-S131 WeakPolarHBondContact O-CB 3.44Å; I127-S131 PolarHBondContact O-N 3.45Å; I127-S131 PolarHBondContact O-OG 3.43Å; I128-S131 PolarHBondContact O-OG 3.26Å; S131-L134 PolarHBondContact O-N 3Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.23Å
132A87.1Confident82.9Confident11 Ų1144.3 Ų44.39%0.09123%0.229CC..Hα-helixtrans-64.7-44.2174.300000111.7A19 I128 L135 T136A19-A132 HydrophobicContact CB-CB 3.44Å; A19-A132 VanDerWaalsContact CB-CB 3.44Å; I128-A132 VanDerWaalsContact O-CB 3.3Å; I128-A132 WeakPolarHBondContact O-CB 3.39Å; I128-A132 PolarHBondContact O-N 3.49Å; I128-A132 VanDerWaalsContact O-N 3.15Å; A132-L135 PolarHBondContact O-N 3.06Å; A132-T136 WeakPolarHBondContact O-CG2 3.43Å; A132-T136 PolarHBondContact O-N 3.45Å; A132-T136 PolarHBondContact O-OG1 3.07Å
133A86.7Confident82.8Confident0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-60.2-46.8176.300000111.7T65 F66 A129 T130 T136 I137T65-A133 HydrophobicContact CG2-CB 4.5Å; F66-A133 HydrophobicContact CB-CB 4.23Å; F66-A133 HydrophobicContact CD2-CB 4.25Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 2.86Å; A129-A133 PolarHBondContact O-N 3.3Å; T130-A133 PolarHBondContact O-N 3.21Å; A133-T136 PolarHBondContact O-N 2.76Å; A133-T136 PolarHBondContact O-OG1 3.42Å; A133-I137 PolarHBondContact O-N 3.35Å
134L88.3Confident81.9Confident84 Ų8445.7 Ų45.744%0.4425%0.246SC..Hα-helixtrans-59.7-47.2176.1-178.366.4000112F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.27Å; T130-L134 VanDerWaalsContact O-CB 3.28Å; T130-L134 WeakPolarHBondContact O-CB 3.41Å; T130-L134 PolarHBondContact O-N 3.43Å; S131-L134 PolarHBondContact O-N 3Å; L134-T136 VanDerWaalsContact C-N 3.28Å; L134-T136 PolarHBondContact O-N 3.48Å; L134-I137 WeakPolarHBondContact O-CB 3.07Å; L134-I137 PolarHBondContact O-N 3.06Å; L134-I138 HydrophobicContact CD1-CD1 4.39Å; L134-I138 HydrophobicContact CG-CD1 4.05Å; L134-I138 WeakPolarHBondContact O-CG1 3.25Å; L134-I138 PolarHBondContact O-N 3.14Å
135L87.5Confident80.7Confident78 Ų7846.1 Ų46.141%0.40825%0.246SC..Hα-helixtrans-59.1-40.8176.5-176.470000111.4L15 S131 A132 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.82Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 PolarHBondContact O-N 3.23Å; A132-L135 PolarHBondContact O-N 3.06Å; L135-I138 PolarHBondContact O-N 3.17Å; L135-I139 HydrophobicContact CD1-CD1 4.01Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.36Å; L135-I139 PolarHBondContact O-N 3.06Å
136T84.3Confident79.2Confident0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-68-37.6177690000112.6V11 L16 A132 A133 L134 V140V11-T136 HydrophobicContact CG1-CG2 3.38Å; L16-T136 HydrophobicContact CB-CG2 3.9Å; L16-T136 HydrophobicContact CD1-CG2 4.19Å; L16-T136 HydrophobicContact CD2-CG2 4.24Å; L16-T136 HydrophobicContact CG-CG2 4.34Å; A132-T136 WeakPolarHBondContact O-CG2 3.43Å; A132-T136 PolarHBondContact O-N 3.45Å; A132-T136 PolarHBondContact O-OG1 3.07Å; A133-T136 PolarHBondContact O-N 2.76Å; A133-T136 PolarHBondContact O-OG1 3.42Å; L134-T136 VanDerWaalsContact C-N 3.28Å; L134-T136 PolarHBondContact O-N 3.48Å; T136-V140 WeakPolarHBondContact O-CB 3.32Å; T136-V140 WeakPolarHBondContact O-CG2 3.35Å; T136-V140 PolarHBondContact O-N 3.02Å
137I85.7Confident77.1Confident17 Ų1760.8 Ų60.89%0.08731%0.313CS..Hα-helixtrans-58.5-48.8171-81.5178.5000110.8V62 F66 A133 L134 V140 M141 F142V62-I137 HydrophobicContact CG1-CB 4.41Å; V62-I137 HydrophobicContact CG1-CG1 3.46Å; V62-I137 VanDerWaalsContact CG1-CG1 3.46Å; F66-I137 HydrophobicContact CB-CD1 3.37Å; F66-I137 HydrophobicContact CB-CG1 4.42Å; F66-I137 HydrophobicContact CD1-CD1 3.74Å; F66-I137 HydrophobicContact CD2-CD1 3.88Å; F66-I137 HydrophobicContact CE1-CD1 4.49Å; F66-I137 HydrophobicContact CG-CD1 3.38Å; A133-I137 PolarHBondContact O-N 3.35Å; L134-I137 WeakPolarHBondContact O-CB 3.07Å; L134-I137 PolarHBondContact O-N 3.06Å; I137-V140 PolarHBondContact O-N 3.4Å; I137-M141 WeakPolarHBondContact O-CB 3.5Å; I137-M141 PolarHBondContact O-N 3.35Å; I137-F142 HydrophobicContact CG2-CD2 4.17Å; I137-F142 HydrophobicContact CG2-CE2 3.94Å
138I85Confident75.1Confident73 Ų7363.2 Ų63.237%0.37432%0.322SS..Iπ-helixtrans-60.4-50.7-178.9-66.8164.4000110.6L134 L135 V140 F142 L143L134-I138 HydrophobicContact CD1-CD1 4.39Å; L134-I138 HydrophobicContact CG-CD1 4.05Å; L134-I138 WeakPolarHBondContact O-CG1 3.25Å; L134-I138 PolarHBondContact O-N 3.14Å; L135-I138 PolarHBondContact O-N 3.17Å; I138-V140 PolarHBondContact O-N 2.81Å; I138-F142 WeakPolarHBondContact O-CB 3.44Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.17Å; I138-L143 HydrophobicContact CG2-CD1 4.23Å
139I82.1Confident72.5Confident24 Ų2469.6 Ų69.612%0.12335%0.351CS..Iπ-helixtrans-68-35.6-176.9-66.8173.8000112.6V3 K8 V11 L135 L143V3-I139 HydrophobicContact CG1-CG2 4.36Å; K8-I139 VanDerWaalsContact CE-O 3.29Å; K8-I139 WeakPolarHBondContact CE-O 3.43Å; K8-I139 HydrophobicContact CG-CG2 4.24Å; V11-I139 HydrophobicContact CG1-CD1 4.34Å; V11-I139 HydrophobicContact CG2-CD1 3.92Å; V11-I139 HydrophobicContact CG2-CG2 4.32Å; L135-I139 HydrophobicContact CD1-CD1 4.01Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.36Å; L135-I139 PolarHBondContact O-N 3.06Å; I139-L143 HydrophobicContact CG1-CD1 4.49Å
140V77.4Confident70.1Confident5 Ų577.8 Ų77.83%0.0339%0.394CS..Iπ-helixtrans-88.9-44-173.9177.90000112.1V12 L54 T136 I137 I138V12-V140 HydrophobicContact CG2-CG2 3.75Å; L54-V140 HydrophobicContact CD1-CG1 3.71Å; L54-V140 HydrophobicContact CD2-CG1 3.64Å; L54-V140 HydrophobicContact CG-CG1 4.31Å; T136-V140 WeakPolarHBondContact O-CB 3.32Å; T136-V140 WeakPolarHBondContact O-CG2 3.35Å; T136-V140 PolarHBondContact O-N 3.02Å; I137-V140 PolarHBondContact O-N 3.4Å; I138-V140 PolarHBondContact O-N 2.81Å
141M76.9Confident67.5Low90 Ų9083.2 Ų83.244%0.44342%0.422SS..Iπ-helixtrans-97.3-35.7-172.6-57.7-131.7-69.400114.6I63 I137I63-M141 HydrophobicContact CD1-CE 3.99Å; I63-M141 HydrophobicContact CD1-SD 4.24Å; I63-M141 HydrophobicContact CG1-CE 3.85Å; I63-M141 HydrophobicContact CG1-SD 4.38Å; I137-M141 WeakPolarHBondContact O-CB 3.5Å; I137-M141 PolarHBondContact O-N 3.35Å
142F74.3Confident64.8Low159 Ų15986.2 Ų86.270%0.69744%0.437SS*.Iπ-helixtrans-93-17.5-173.7-76.8-88.1000115I137 I138I137-F142 HydrophobicContact CG2-CD2 4.17Å; I137-F142 HydrophobicContact CG2-CE2 3.94Å; I138-F142 WeakPolarHBondContact O-CB 3.44Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.17Å
143L68.8Low62.1Low36 Ų3692.5 Ų92.519%0.18847%0.474CS..SBendtrans-104.3109-173.9-78.5152.5000112M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.6Å; M1-L143 VanDerWaalsContact O-CD2 3.23Å; M1-L143 WeakPolarHBondContact O-CD2 3.38Å; V3-L143 HydrophobicContact CG2-CB 3.95Å; V3-L143 HydrophobicContact CG2-CD1 4.06Å; V3-L143 HydrophobicContact CG2-CD2 4.18Å; V3-L143 HydrophobicContact CG2-CG 4.28Å; K8-L143 WeakPolarHBondContact CE-O 3.42Å; K8-L143 PolarHBondContact NZ-O 3.47Å; I138-L143 HydrophobicContact CG2-CD1 4.23Å; I139-L143 HydrophobicContact CG1-CD1 4.49Å
144S58.1Low59.4Low88 Ų8895.9 Ų95.962%0.61551%0.509SS*.  trans-68.7158.6-171.7-162.30000115.1
145H55.9Low56.6Low58 Ų5899.7 Ų99.727%0.26953%0.53SS..  trans-83156.6169.2-101.9-57.1000111.3
146R48.2Very low53.9Low164 Ų164102.4 Ų102.462%0.61955%0.549SS*.  trans-92.3110.6169.9172.2175.7170.6146.6-1.7107.5T2 E148T2-R146 HydrophobicContact CG2-CB 4.25Å; R146-E148 IonicContact CZ-OE1 3.59Å; R146-E148 IonicContact CZ-OE2 2.78Å; R146-E148 IonicContact NE-OE1 3.99Å; R146-E148 IonicContact NE-OE2 3.23Å; R146-E148 PolarHBondContact NE-OE2 3.1Å; R146-E148 IonicContact NH2-OE1 2.77Å; R146-E148 PolarHBondContact NH2-OE1 3.38Å; R146-E148 IonicContact NH2-OE2 2.8Å; R146-E148 PolarHBondContact NH2-OE2 3.21Å
147D40.5Very low51.3Low154 Ų154108.1 Ų108.182%0.82458%0.584SS**  trans-79.6131.2166-64.5-40.6000108.6
148E43.4Very low48.5Very low140 Ų140113.7 Ų113.765%0.65462%0.619SS**  trans-145.6112.9175-152.7159.9-159.800107.3R146R146-E148 IonicContact CZ-OE1 3.59Å; R146-E148 IonicContact CZ-OE2 2.78Å; R146-E148 IonicContact NE-OE1 3.99Å; R146-E148 IonicContact NE-OE2 3.23Å; R146-E148 PolarHBondContact NE-OE2 3.1Å; R146-E148 IonicContact NH2-OE1 2.77Å; R146-E148 PolarHBondContact NH2-OE1 3.38Å; R146-E148 IonicContact NH2-OE2 2.8Å; R146-E148 PolarHBondContact NH2-OE2 3.21Å
149Q30.5Very low46.2Very low181 Ų181117 Ų11785%0.84664%0.642SS**  trans-66.1139.3-170.6-63.3153.7-7800110.9
150L37Very low43.7Very low173 Ų173127 Ų12791%0.90668%0.678SS**  trans-156.3123.9154.6-131.8116.9000111
151D31.9Very low41.3Very low149 Ų149131.7 Ų131.780%0.79771%0.711SS**  trans-80.6136.5-169.8-68-64.3000114.9
152V31.6Very low39Very low126 Ų126134.3 Ų134.376%0.76472%0.722SS**  trans-13.1119.3144.3-179.30000117.4
153V30.2Very low37Very low144 Ų144132.5 Ų132.587%0.87373%0.729SS**  trans69.5134.4142.2178.10000121
154G29.2Very low35.3Very low70 Ų70133.1 Ų133.172%0.72274%0.744SS**  trans142.9138.6151.200000115.8
155D30.5Very low34Very low165 Ų165137.7 Ų137.788%0.88275%0.748SS**  trans-86.7171.9-173.6-86.6-55.7000116.3
156V30.2Very low33Very low135 Ų135142.7 Ų142.782%0.81877%0.772SS**  trans103.7139.4161.5-169.70000116.4
157V29.7Very low32.5Very low120 Ų120142.2 Ų142.273%0.72778%0.776SS**  trans135105148.4178.10000114.4
158T27Very low32.3Very low134 Ų134144.1 Ų144.182%0.82277%0.772SS**  trans29.5155.8144.271.20000125.1
159V36.1Very low32Very low141 Ų141146.6 Ų146.686%0.85578%0.775SS**  trans-76.3135.3179.9179.90000112.6
160R30.2Very low32.4Very low236 Ų236144.8 Ų144.889%0.89177%0.767SS**  145.2112.5127.5-168.5171.3-164.7136.53.5114.7
161S27.4Very low32.4Very low103 Ų103146.2 Ų146.272%0.7276%0.76SS**  trans-179.9127.9140.3-175.20000109.4
162E29.4Very low32.6Very low145 Ų145145.7 Ų145.768%0.67875%0.751SS**  trans-100.1-4.4-162.9-69.6-165102.300116.5G164 R165E162-G164 VanDerWaalsContact C-N 3.26Å; E162-G164 PolarHBondContact O-N 3.37Å; E162-G164 VanDerWaalsContact O-N 3.12Å; E162-R165 IonicContact OE1-NH1 3.94Å; E162-R165 PolarHBondContact OE1-NH1 3.02Å
163S32.3Very low33Very low121 Ų121144.5 Ų144.585%0.84674%0.739SS**THydrogen-bonded Turntrans-71.1-8.1-170.156.20000116.2
164G32Very low33.4Very low49 Ų49140.3 Ų140.351%0.50572%0.72SS.*THydrogen-bonded Turntrans-98.55.9-173.700000116.9E162 E166E162-G164 VanDerWaalsContact C-N 3.26Å; E162-G164 PolarHBondContact O-N 3.37Å; E162-G164 VanDerWaalsContact O-N 3.12Å; G164-E166 PolarHBondContact O-N 2.93Å
165R30.1Very low34Very low183 Ų183139.8 Ų139.869%0.69171%0.709SS**Hα-helixtrans-73.1-30.9-160-130.7169-175155-2.1115.2E162 R169E162-R165 IonicContact OE1-NH1 3.94Å; E162-R165 PolarHBondContact OE1-NH1 3.02Å; R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.47Å
166E36.1Very low34.5Very low164 Ų164136.8 Ų136.877%0.76669%0.692SS**Hα-helixtrans-84.6-49.2-174.8-73.2-175.1128.100114.7G164 R168 R169 Q170G164-E166 PolarHBondContact O-N 2.93Å; E166-R168 PolarHBondContact O-N 3.23Å; E166-R169 WeakPolarHBondContact O-CA 3.47Å; E166-R169 WeakPolarHBondContact O-CB 3.45Å; E166-R169 PolarHBondContact O-N 3.06Å; E166-Q170 PolarHBondContact O-N 2.93Å
167Q37.5Very low34.9Very low153 Ų153135.8 Ų135.872%0.71568%0.68SS**Hα-helixtrans-59.2-33.7176.7-85.9-176.7-1600112.3R171Q167-R171 PolarHBondContact O-N 3.34Å; Q167-R171 VanDerWaalsContact O-N 3.17Å
168R36.6Very low35.4Very low195 Ų195139.4 Ų139.474%0.73668%0.681SS**Hα-helixtrans-73.4-27.7175.3-140171.8-171-179.82.4112.2E166 K172E166-R168 PolarHBondContact O-N 3.23Å; R168-K172 VanDerWaalsContact O-CB 3.29Å; R168-K172 WeakPolarHBondContact O-CB 3.41Å; R168-K172 WeakPolarHBondContact O-CG 3.4Å; R168-K172 PolarHBondContact O-N 3.02Å
169R36.6Very low36.3Very low191 Ų191136 Ų13672%0.72166%0.662SS**Hα-helixtrans-73.1-42.3175.4-148.2174.9-168.5-179.62.8111.7R165 E166 K172 L173R165-R169 WeakPolarHBondContact O-CB 3.44Å; R165-R169 PolarHBondContact O-N 3.47Å; E166-R169 WeakPolarHBondContact O-CA 3.47Å; E166-R169 WeakPolarHBondContact O-CB 3.45Å; E166-R169 PolarHBondContact O-N 3.06Å; R169-K172 PolarHBondContact O-N 3.35Å; R169-L173 WeakPolarHBondContact O-CB 3.41Å; R169-L173 PolarHBondContact O-N 3.47Å
170Q38Very low36.5Very low143 Ų143131.9 Ų131.967%0.66864%0.643SS**Hα-helixtrans-66.2-45.2174.5-78.7179.3-22.600112.8E166 K172 L173 A174E166-Q170 PolarHBondContact O-N 2.93Å; Q170-K172 PolarHBondContact O-N 3.35Å; Q170-L173 PolarHBondContact O-N 3.17Å; Q170-A174 PolarHBondContact O-N 3.16Å
171R37.4Very low37.1Very low203 Ų203124.3 Ų124.377%0.76662%0.619SS**Hα-helixtrans-65.1-37175.5-74.8-177176.8169.50.9112.5Q167 A175Q167-R171 PolarHBondContact O-N 3.34Å; Q167-R171 VanDerWaalsContact O-N 3.17Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.26Å; R171-A175 VanDerWaalsContact O-N 3.07Å
172K37.6Very low38Very low139 Ų139120.6 Ų120.660%0.60460%0.598SS**Hα-helixtrans-66-42.4170.2-83.4-169.7171.9-170.80112.2R168 R169 Q170 A175 I176R168-K172 VanDerWaalsContact O-CB 3.29Å; R168-K172 WeakPolarHBondContact O-CB 3.41Å; R168-K172 WeakPolarHBondContact O-CG 3.4Å; R168-K172 PolarHBondContact O-N 3.02Å; R169-K172 PolarHBondContact O-N 3.35Å; Q170-K172 PolarHBondContact O-N 3.35Å; K172-A175 PolarHBondContact O-N 3.03Å; K172-I176 HydrophobicContact CB-CD1 4.32Å; K172-I176 VanDerWaalsContact O-CB 3.26Å; K172-I176 WeakPolarHBondContact O-CB 3.31Å; K172-I176 WeakPolarHBondContact O-CD1 3.31Å; K172-I176 WeakPolarHBondContact O-CG1 3.35Å; K172-I176 PolarHBondContact O-N 2.92Å
173L38.3Very low38.9Very low100 Ų100117.5 Ų117.552%0.52459%0.585SS.*Hα-helixtrans-61.5-43.8176.5-96.1158000112.3R169 Q170 I176 M177R169-L173 WeakPolarHBondContact O-CB 3.41Å; R169-L173 PolarHBondContact O-N 3.47Å; Q170-L173 PolarHBondContact O-N 3.17Å; L173-I176 PolarHBondContact O-N 3.49Å; L173-M177 WeakPolarHBondContact O-CB 3.3Å; L173-M177 PolarHBondContact O-N 2.71Å
174A38.7Very low39.5Very low56 Ų56114.7 Ų114.746%0.46357%0.566SS.*Hα-helixtrans-64.2-41.8175.500000112.1Q170 M177 W178Q170-A174 PolarHBondContact O-N 3.16Å; A174-M177 PolarHBondContact O-N 3.04Å; A174-W178 WeakPolarHBondContact O-CB 3.45Å; A174-W178 PolarHBondContact O-N 3.07Å
175A42.8Very low40.4Very low60 Ų60117.1 Ų117.150%0.49657%0.567SS.*Hα-helixtrans-69-38.7176.800000113.1R171 K172 S179R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.26Å; R171-A175 VanDerWaalsContact O-N 3.07Å; K172-A175 PolarHBondContact O-N 3.03Å; A175-S179 VanDerWaalsContact O-CB 3.32Å; A175-S179 WeakPolarHBondContact O-CB 3.35Å; A175-S179 PolarHBondContact O-N 2.85Å; A175-S179 PolarHBondContact O-OG 3.36Å
176I41.4Very low41.6Very low101 Ų101114.5 Ų114.552%0.51856%0.557SS.*Hα-helixtrans-69.2-37.4174-71.2160.9000110.4K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.32Å; K172-I176 VanDerWaalsContact O-CB 3.26Å; K172-I176 WeakPolarHBondContact O-CB 3.31Å; K172-I176 WeakPolarHBondContact O-CD1 3.31Å; K172-I176 WeakPolarHBondContact O-CG1 3.35Å; K172-I176 PolarHBondContact O-N 2.92Å; L173-I176 PolarHBondContact O-N 3.49Å; I176-S179 WeakPolarHBondContact CA-OG 3.3Å; I176-S179 PolarHBondContact O-N 2.96Å; I176-S179 PolarHBondContact O-OG 3.33Å; I176-A180 WeakPolarHBondContact O-CA 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.26Å; I176-A180 PolarHBondContact O-N 3.05Å
177M37.1Very low42.7Very low114 Ų114116.3 Ų116.356%0.56256%0.557SS**Hα-helixtrans-68.8-43.4176.2-169.9-175.7-64.500110.9L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CB 3.3Å; L173-M177 PolarHBondContact O-N 2.71Å; A174-M177 PolarHBondContact O-N 3.04Å; M177-A180 PolarHBondContact O-N 2.66Å; M177-I181 HydrophobicContact CG-CD1 3.82Å; M177-I181 HydrophobicContact CG-CG1 4.48Å; M177-I181 VanDerWaalsContact O-CB 3.23Å; M177-I181 WeakPolarHBondContact O-CB 3.29Å; M177-I181 WeakPolarHBondContact O-CG1 3.43Å; M177-I181 PolarHBondContact O-N 3.02Å
178W41.2Very low43.7Very low197 Ų197113.5 Ų113.575%0.74655%0.546SS*.Hα-helixtrans-68.5-32.9173.9-105.8100.3000113.4A174 G182A174-W178 WeakPolarHBondContact O-CB 3.45Å; A174-W178 PolarHBondContact O-N 3.07Å; W178-G182 PolarHBondContact O-N 2.86Å
179S46.4Very low45.1Very low63 Ų63106 Ų10644%0.44152%0.522SS..Hα-helixtrans-75.5-34.6173.875.70000112.4A175 I176 G182 N183A175-S179 VanDerWaalsContact O-CB 3.32Å; A175-S179 WeakPolarHBondContact O-CB 3.35Å; A175-S179 PolarHBondContact O-N 2.85Å; A175-S179 PolarHBondContact O-OG 3.36Å; I176-S179 WeakPolarHBondContact CA-OG 3.3Å; I176-S179 PolarHBondContact O-N 2.96Å; I176-S179 PolarHBondContact O-OG 3.33Å; S179-G182 PolarHBondContact O-N 3.28Å; S179-N183 VanDerWaalsContact O-CB 3.25Å; S179-N183 WeakPolarHBondContact O-CB 3.35Å; S179-N183 VanDerWaalsContact O-CG 3.3Å; S179-N183 PolarHBondContact O-N 3.46Å; S179-N183 PolarHBondContact O-ND2 3.24Å
180A39.7Very low46.6Very low54 Ų5499.4 Ų99.445%0.44650%0.501SS..Hα-helixtrans-70.6-40.217300000111.9I176 M177 N183 S184I176-A180 WeakPolarHBondContact O-CA 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.26Å; I176-A180 PolarHBondContact O-N 3.05Å; M177-A180 PolarHBondContact O-N 2.66Å; A180-N183 PolarHBondContact O-N 3.48Å; A180-S184 WeakPolarHBondContact O-CA 3.19Å; A180-S184 WeakPolarHBondContact O-CB 3.38Å; A180-S184 PolarHBondContact O-N 3.4Å
181I42.5Very low48.2Very low76 Ų7698.3 Ų98.339%0.3949%0.494SS..Hα-helixtrans-65.9-43.3170.9-71.3168.3000109.8M177 N183 S184 L185M177-I181 HydrophobicContact CG-CD1 3.82Å; M177-I181 HydrophobicContact CG-CG1 4.48Å; M177-I181 VanDerWaalsContact O-CB 3.23Å; M177-I181 WeakPolarHBondContact O-CB 3.29Å; M177-I181 WeakPolarHBondContact O-CG1 3.43Å; M177-I181 PolarHBondContact O-N 3.02Å; I181-N183 PolarHBondContact O-N 3.09Å; I181-S184 WeakPolarHBondContact O-CB 3.43Å; I181-S184 PolarHBondContact O-N 2.79Å; I181-L185 HydrophobicContact CG2-CD1 3.6Å; I181-L185 WeakPolarHBondContact O-CB 3.45Å; I181-L185 VanDerWaalsContact O-CD1 3.31Å; I181-L185 WeakPolarHBondContact O-CD1 3.47Å; I181-L185 PolarHBondContact O-N 2.68Å
182G45.9Very low49.9Very low26 Ų2691.5 Ų91.527%0.26848%0.475SS..Hα-helixtrans-61-42.6174.800000113.1W178 S179 R186W178-G182 PolarHBondContact O-N 2.86Å; S179-G182 PolarHBondContact O-N 3.28Å; G182-R186 WeakPolarHBondContact O-CB 3.41Å; G182-R186 VanDerWaalsContact O-CG 3.25Å; G182-R186 WeakPolarHBondContact O-CG 3.34Å; G182-R186 PolarHBondContact O-N 3.29Å
183N48.9Very low51.9Low79 Ų7985.5 Ų85.542%0.42245%0.449SS..Hα-helixtrans-74.6-30.6175.8-75-22000112.7S179 A180 I181 R186 R187S179-N183 VanDerWaalsContact O-CB 3.25Å; S179-N183 WeakPolarHBondContact O-CB 3.35Å; S179-N183 VanDerWaalsContact O-CG 3.3Å; S179-N183 PolarHBondContact O-N 3.46Å; S179-N183 PolarHBondContact O-ND2 3.24Å; A180-N183 PolarHBondContact O-N 3.48Å; I181-N183 PolarHBondContact O-N 3.09Å; N183-R186 PolarHBondContact O-N 2.69Å; N183-R186 PolarHBondContact OD1-NH1 3.17Å; N183-R187 WeakPolarHBondContact O-CG 3.48Å; N183-R187 PolarHBondContact O-N 3.46Å; N183-R187 VanDerWaalsContact O-N 3.07Å
184S44.3Very low53.9Low62 Ų6282.7 Ų82.743%0.43443%0.433SS..Hα-helixtrans-63.9-52.7170177.70000110.4A180 I181 R186 R187 L188A180-S184 WeakPolarHBondContact O-CA 3.19Å; A180-S184 WeakPolarHBondContact O-CB 3.38Å; A180-S184 PolarHBondContact O-N 3.4Å; I181-S184 WeakPolarHBondContact O-CB 3.43Å; I181-S184 PolarHBondContact O-N 2.79Å; S184-R186 VanDerWaalsContact C-N 3.3Å; S184-R186 PolarHBondContact O-N 2.86Å; S184-R187 CarbonylContact O-C 3.59Å; S184-R187 PolarHBondContact O-N 3.05Å; S184-L188 VanDerWaalsContact O-CB 3.29Å; S184-L188 WeakPolarHBondContact O-CB 3.35Å; S184-L188 PolarHBondContact O-N 2.78Å
185L50.5Low55.8Low100 Ų10083.9 Ų83.952%0.52443%0.431SS..Hα-helixtrans-58-39.5172.5-94.699.5000111.9I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.6Å; I181-L185 WeakPolarHBondContact O-CB 3.45Å; I181-L185 VanDerWaalsContact O-CD1 3.31Å; I181-L185 WeakPolarHBondContact O-CD1 3.47Å; I181-L185 PolarHBondContact O-N 2.68Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 3.08Å; L185-T189 VanDerWaalsContact O-CB 3.27Å; L185-T189 WeakPolarHBondContact O-CB 3.38Å; L185-T189 WeakPolarHBondContact O-CG2 3.47Å; L185-T189 PolarHBondContact O-N 3Å; L185-T189 PolarHBondContact O-OG1 2.67Å
186R57.1Low57.8Low128 Ų12883.2 Ų83.248%0.48342%0.417SS..Hα-helixtrans-61.4-31.1174.1-78.4169172.9-172-5.6113.5G182 N183 S184 T189G182-R186 WeakPolarHBondContact O-CB 3.41Å; G182-R186 VanDerWaalsContact O-CG 3.25Å; G182-R186 WeakPolarHBondContact O-CG 3.34Å; G182-R186 PolarHBondContact O-N 3.29Å; N183-R186 PolarHBondContact O-N 2.69Å; N183-R186 PolarHBondContact OD1-NH1 3.17Å; S184-R186 VanDerWaalsContact C-N 3.3Å; S184-R186 PolarHBondContact O-N 2.86Å; R186-T189 PolarHBondContact O-OG1 3.18Å
187R58.9Low60Low202 Ų20278.7 Ų78.776%0.76239%0.394SS*.Hα-helixtrans-80.7-44.7173.4-71.5178.8179.2179.70.8111.8N183 S184 L185 T189 N190N183-R187 WeakPolarHBondContact O-CG 3.48Å; N183-R187 PolarHBondContact O-N 3.46Å; N183-R187 VanDerWaalsContact O-N 3.07Å; S184-R187 CarbonylContact O-C 3.59Å; S184-R187 PolarHBondContact O-N 3.05Å; L185-R187 VanDerWaalsContact C-N 3.27Å; L185-R187 PolarHBondContact O-N 3.08Å; R187-T189 VanDerWaalsContact C-N 3.35Å; R187-T189 PolarHBondContact O-N 3.29Å; R187-N190 PolarHBondContact O-N 3.12Å
188L58.4Low62.2Low95 Ų9573.8 Ų73.850%0.49737%0.372SS..Hα-helixtrans-69.8-29.7-176.5-155150.4000111.9S184 L185 N190 F191 V192S184-L188 VanDerWaalsContact O-CB 3.29Å; S184-L188 WeakPolarHBondContact O-CB 3.35Å; S184-L188 PolarHBondContact O-N 2.78Å; L185-L188 PolarHBondContact O-N 3.08Å; L188-N190 PolarHBondContact O-N 3.38Å; L188-F191 WeakPolarHBondContact O-CA 3.48Å; L188-F191 WeakPolarHBondContact O-CB 3.23Å; L188-F191 PolarHBondContact O-N 3.23Å; L188-V192 HydrophobicContact CD2-CG2 3.75Å; L188-V192 PolarHBondContact O-N 3.39Å
189T65.7Low64.4Low37 Ų3768.8 Ų68.823%0.22735%0.353CS..Hα-helixtrans-63.2-22.5174.842.50000114.4L185 R186 R187 L193 Q326L185-T189 VanDerWaalsContact O-CB 3.27Å; L185-T189 WeakPolarHBondContact O-CB 3.38Å; L185-T189 WeakPolarHBondContact O-CG2 3.47Å; L185-T189 PolarHBondContact O-N 3Å; L185-T189 PolarHBondContact O-OG1 2.67Å; R186-T189 PolarHBondContact O-OG1 3.18Å; R187-T189 VanDerWaalsContact C-N 3.35Å; R187-T189 PolarHBondContact O-N 3.29Å; T189-L193 VanDerWaalsContact O-CB 3.27Å; T189-L193 WeakPolarHBondContact O-CB 3.41Å; T189-L193 PolarHBondContact O-N 3.23Å; T189-Q326 PolarHBondContact OG1-NE2 3.15Å
190N69Low66.4Low52 Ų5265.8 Ų65.828%0.27833%0.332SS..Hα-helixtrans-70.7-35.9169.9-76.8-43.3000111.9R187 L188 F194 Y234 K238 Q326R187-N190 PolarHBondContact O-N 3.12Å; L188-N190 PolarHBondContact O-N 3.38Å; N190-F194 PolarHBondContact O-N 2.95Å; N190-F194 VanDerWaalsContact O-N 3.12Å; N190-Y234 WeakPolarHBondContact OD1-CE1 3.39Å; N190-K238 PolarHBondContact OD1-NZ 3.34Å; N190-Q326 PolarHBondContact OD1-OE1 3.44Å
191F71.5Confident68.6Low121 Ų12163.2 Ų63.253%0.53131%0.311SS..Hα-helixtrans-73.7-40.3175.7176.9-103.8000111.6L188 L193 F194 L195L188-F191 WeakPolarHBondContact O-CA 3.48Å; L188-F191 WeakPolarHBondContact O-CB 3.23Å; L188-F191 PolarHBondContact O-N 3.23Å; F191-L193 VanDerWaalsContact C-N 3.32Å; F191-L193 PolarHBondContact O-N 2.87Å; F191-F194 WeakPolarHBondContact O-CB 3.47Å; F191-F194 PolarHBondContact O-N 2.85Å; F191-L195 HydrophobicContact CD1-CD1 4.13Å; F191-L195 HydrophobicContact CE1-CD1 3.48Å; F191-L195 VanDerWaalsContact CE1-CD1 3.48Å; F191-L195 HydrophobicContact CE1-CG 4.24Å; F191-L195 HydrophobicContact CE2-CD1 4.45Å; F191-L195 HydrophobicContact CE2-CG 4.44Å; F191-L195 HydrophobicContact CZ-CD1 3.67Å; F191-L195 HydrophobicContact CZ-CD2 4.43Å; F191-L195 HydrophobicContact CZ-CG 4.13Å; F191-L195 PolarHBondContact O-N 2.71Å
192V73Confident70.8Confident60 Ų6060.1 Ų60.136%0.36430%0.295SS..Hα-helixtrans-59-45.2171.1172.90000110.5L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 3.75Å; L188-V192 PolarHBondContact O-N 3.39Å; V192-F194 VanDerWaalsContact C-N 3.32Å; V192-F194 PolarHBondContact O-N 3.21Å; V192-L195 PolarHBondContact O-N 2.68Å; V192-F196 VanDerWaalsContact O-CB 3.31Å; V192-F196 WeakPolarHBondContact O-CB 3.48Å; V192-F196 PolarHBondContact O-N 3.27Å
193L78.8Confident72.7Confident12 Ų1258.9 Ų58.96%0.06328%0.283CS..Hα-helixtrans-62.6-39.6178.6-172.466.3000112.2T189 F191 F196 T197 K238 F319 T323T189-L193 VanDerWaalsContact O-CB 3.27Å; T189-L193 WeakPolarHBondContact O-CB 3.41Å; T189-L193 PolarHBondContact O-N 3.23Å; F191-L193 VanDerWaalsContact C-N 3.32Å; F191-L193 PolarHBondContact O-N 2.87Å; L193-F196 PolarHBondContact O-N 2.96Å; L193-T197 PolarHBondContact O-N 3.08Å; L193-T197 PolarHBondContact O-OG1 2.91Å; L193-K238 HydrophobicContact CD2-CD 4.47Å; L193-K238 HydrophobicContact CD2-CG 4.47Å; L193-F319 HydrophobicContact CD1-CD2 4.19Å; L193-F319 HydrophobicContact CD1-CE2 3.84Å; L193-T323 HydrophobicContact CD1-CG2 3.67Å
194F79.8Confident74.4Confident41 Ų4156.4 Ų56.418%0.1827%0.268CS..Hα-helixtrans-59.1-51.9174.1168.8-102.2000112N190 F191 V192 F196 T197 A198 F216 I219 S220N190-F194 PolarHBondContact O-N 2.95Å; N190-F194 VanDerWaalsContact O-N 3.12Å; F191-F194 WeakPolarHBondContact O-CB 3.47Å; F191-F194 PolarHBondContact O-N 2.85Å; V192-F194 VanDerWaalsContact C-N 3.32Å; V192-F194 PolarHBondContact O-N 3.21Å; F194-F196 PolarHBondContact O-N 3.35Å; F194-T197 WeakPolarHBondContact O-CB 3.39Å; F194-T197 PolarHBondContact O-N 2.94Å; F194-A198 PolarHBondContact O-N 2.68Å; F194-F216 HydrophobicContact CD2-CD2 4.31Å; F194-F216 HydrophobicContact CE1-CE2 4.02Å; F194-F216 AromaticContact CE2-CD2 3.74Å; F194-F216 HydrophobicContact CE2-CD2 3.74Å; F194-F216 AromaticContact CE2-CE2 3.84Å; F194-F216 HydrophobicContact CE2-CE2 3.84Å; F194-F216 AromaticContact CZ-CD2 3.9Å; F194-F216 HydrophobicContact CZ-CD2 3.9Å; F194-F216 AromaticContact CZ-CE2 3.48Å; F194-F216 HydrophobicContact CZ-CE2 3.48Å; F194-F216 VanDerWaalsContact CZ-CE2 3.48Å; F194-I219 HydrophobicContact CD2-CB 4.43Å; F194-I219 HydrophobicContact CD2-CG2 3.72Å; F194-I219 HydrophobicContact CE2-CB 4.38Å; F194-I219 HydrophobicContact CE2-CG2 3.87Å; F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.36Å; F194-S220 VanDerWaalsContact CZ-OG 3.26Å; F194-S220 WeakPolarHBondContact CZ-OG 3.48Å
195L78.1Confident76.3Confident82 Ų8254.2 Ų54.243%0.42925%0.252SS..Hα-helixtrans-63-40.3176.8-68-179.8000112.6F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 4.13Å; F191-L195 HydrophobicContact CE1-CD1 3.48Å; F191-L195 VanDerWaalsContact CE1-CD1 3.48Å; F191-L195 HydrophobicContact CE1-CG 4.24Å; F191-L195 HydrophobicContact CE2-CD1 4.45Å; F191-L195 HydrophobicContact CE2-CG 4.44Å; F191-L195 HydrophobicContact CZ-CD1 3.67Å; F191-L195 HydrophobicContact CZ-CD2 4.43Å; F191-L195 HydrophobicContact CZ-CG 4.13Å; F191-L195 PolarHBondContact O-N 2.71Å; V192-L195 PolarHBondContact O-N 2.68Å; L195-T197 VanDerWaalsContact C-N 3.25Å; L195-T197 PolarHBondContact O-N 3.17Å; L195-A198 WeakPolarHBondContact O-CB 3.45Å; L195-A198 PolarHBondContact O-N 3.06Å; L195-Y199 PolarHBondContact O-N 2.9Å
196F85Confident77.9Confident46 Ų4649.5 Ų49.520%0.20223%0.228CC..Hα-helixtrans-67.7-27.6178.5-147.1-94.3000112V192 L193 F194 Y199 V200 V315 V318 F319 L322V192-F196 VanDerWaalsContact O-CB 3.31Å; V192-F196 WeakPolarHBondContact O-CB 3.48Å; V192-F196 PolarHBondContact O-N 3.27Å; L193-F196 PolarHBondContact O-N 2.96Å; F194-F196 PolarHBondContact O-N 3.35Å; F196-Y199 HydrophobicContact CE2-CD1 4.42Å; F196-Y199 PolarHBondContact O-N 2.77Å; F196-V200 HydrophobicContact CD1-CG2 3.82Å; F196-V200 HydrophobicContact CE1-CG2 4.08Å; F196-V200 WeakPolarHBondContact O-CG2 3.41Å; F196-V200 PolarHBondContact O-N 2.94Å; F196-V315 HydrophobicContact CE1-CG1 4.12Å; F196-V315 HydrophobicContact CZ-CG1 4.43Å; F196-V318 HydrophobicContact CE1-CB 4.43Å; F196-V318 HydrophobicContact CE1-CG1 4.07Å; F196-V318 HydrophobicContact CZ-CB 4.27Å; F196-V318 HydrophobicContact CZ-CG1 3.71Å; F196-F319 HydrophobicContact CD1-CB 4.17Å; F196-F319 HydrophobicContact CD1-CD2 4.02Å; F196-F319 HydrophobicContact CE1-CB 4.08Å; F196-L322 HydrophobicContact CD1-CD1 4.39Å; F196-L322 HydrophobicContact CE1-CD1 4.41Å; F196-L322 HydrophobicContact CG-CD1 4.47Å
197T88Confident79.3Confident5 Ų546.8 Ų46.83%0.03122%0.223CC..Hα-helixtrans-68.5-38.7173.8-49.70000111.2L193 F194 L195 G201 A215L193-T197 PolarHBondContact O-N 3.08Å; L193-T197 PolarHBondContact O-OG1 2.91Å; F194-T197 WeakPolarHBondContact O-CB 3.39Å; F194-T197 PolarHBondContact O-N 2.94Å; L195-T197 VanDerWaalsContact C-N 3.25Å; L195-T197 PolarHBondContact O-N 3.17Å; T197-G201 PolarHBondContact O-N 3.36Å; T197-A215 HydrophobicContact CG2-CB 4.4Å
198A84.5Confident80.6Confident11 Ų1137.4 Ų37.49%0.09119%0.188CC..Hα-helixtrans-62.4-46.1171.200000111.3F194 L195 G201 I202 F216F194-A198 PolarHBondContact O-N 2.68Å; L195-A198 WeakPolarHBondContact O-CB 3.45Å; L195-A198 PolarHBondContact O-N 3.06Å; A198-G201 PolarHBondContact O-N 2.88Å; A198-G201 VanDerWaalsContact O-N 3.16Å; A198-I202 WeakPolarHBondContact O-CG1 3.49Å; A198-I202 PolarHBondContact O-N 3.03Å; A198-I202 VanDerWaalsContact O-N 3.13Å; A198-F216 HydrophobicContact CB-CB 4.3Å; A198-F216 HydrophobicContact CB-CD1 4.03Å; A198-F216 HydrophobicContact CB-CD2 3.52Å; A198-F216 HydrophobicContact CB-CE1 4.24Å; A198-F216 HydrophobicContact CB-CE2 3.73Å; A198-F216 HydrophobicContact CB-CG 3.66Å; A198-F216 HydrophobicContact CB-CZ 4.09Å
199Y87.4Confident82.1Confident92 Ų9232.9 Ų32.936%0.36116%0.164SC..Hα-helixtrans-60-48.8180-174.7-114.1000112.4L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 2.9Å; F196-Y199 HydrophobicContact CE2-CD1 4.42Å; F196-Y199 PolarHBondContact O-N 2.77Å; Y199-G201 PolarHBondContact O-N 2.97Å; Y199-I202 PolarHBondContact O-N 3.3Å; Y199-I202 VanDerWaalsContact O-N 3.1Å; Y199-V203 HydrophobicContact CD1-CG2 4Å; Y199-V203 HydrophobicContact CD2-CG2 3.99Å; Y199-V203 HydrophobicContact CE1-CG2 3.65Å; Y199-V203 HydrophobicContact CE2-CG2 3.63Å; Y199-V203 HydrophobicContact CG-CG2 4.15Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.44Å; Y199-V203 VanDerWaalsContact O-CG2 3.3Å; Y199-V203 WeakPolarHBondContact O-CG2 3.25Å; Y199-V203 PolarHBondContact O-N 2.99Å; Y199-V315 HydrophobicContact CD1-CG1 3.93Å; Y199-V315 HydrophobicContact CD1-CG2 4.44Å; Y199-V315 HydrophobicContact CE1-CG1 4.04Å; Y199-V315 HydrophobicContact CE1-CG2 3.71Å
200V88.2Confident83.1Confident0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-58.6-35.8176.8-1760000111.2F196 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 3.82Å; F196-V200 HydrophobicContact CE1-CG2 4.08Å; F196-V200 WeakPolarHBondContact O-CG2 3.41Å; F196-V200 PolarHBondContact O-N 2.94Å; V200-Y212 HydrophobicContact CB-CD2 4.28Å; V200-Y212 HydrophobicContact CB-CG 4.27Å; V200-Y212 HydrophobicContact CG1-CD1 4.29Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE1 4.46Å; V200-Y212 HydrophobicContact CG1-CE2 3.6Å; V200-Y212 HydrophobicContact CG1-CG 3.77Å; V200-V315 HydrophobicContact CB-CG1 4.19Å; V200-V315 HydrophobicContact CG1-CG1 4.42Å; V200-V315 HydrophobicContact CG2-CG1 3.57Å; V200-V316 HydrophobicContact CG1-CG2 4.3Å; V200-F319 HydrophobicContact CG2-CB 3.98Å; V200-F319 HydrophobicContact CG2-CD2 4.09Å; V200-F319 HydrophobicContact CG2-CG 4.03Å
201G86.3Confident84.1Confident0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-70.1-29.2177.200000115.1T197 A198 Y199 Y487T197-G201 PolarHBondContact O-N 3.36Å; A198-G201 PolarHBondContact O-N 2.88Å; A198-G201 VanDerWaalsContact O-N 3.16Å; Y199-G201 PolarHBondContact O-N 2.97Å; G201-Y487 WeakPolarHBondContact O-CE2 3.45Å; G201-Y487 PolarHBondContact O-OH 2.89Å
202I88.3Confident85Confident11 Ų1126.4 Ų26.46%0.05614%0.135CC..Hα-helixtrans-94.4-32.8-174.4-64.2165.8000112.6A198 Y199 K204 F213 V518 L521 T525A198-I202 WeakPolarHBondContact O-CG1 3.49Å; A198-I202 PolarHBondContact O-N 3.03Å; A198-I202 VanDerWaalsContact O-N 3.13Å; Y199-I202 PolarHBondContact O-N 3.3Å; Y199-I202 VanDerWaalsContact O-N 3.1Å; I202-K204 PolarHBondContact O-N 3.17Å; I202-K204 VanDerWaalsContact O-N 3.08Å; I202-F213 HydrophobicContact CG1-CD2 4.18Å; I202-F213 HydrophobicContact CG1-CE2 4.27Å; I202-V518 HydrophobicContact CG2-CG1 4.35Å; I202-V518 WeakPolarHBondContact O-CG2 3.42Å; I202-L521 HydrophobicContact CG1-CB 4.39Å; I202-L521 HydrophobicContact CG2-CB 3.79Å; I202-L521 HydrophobicContact CG2-CD1 4.3Å; I202-T525 HydrophobicContact CD1-CG2 4.23Å
203V85.2Confident85.7Confident1 Ų123.7 Ų23.71%0.00612%0.118CC..SBendtrans-50.8-38.5-172.9159.50000114.1Y199 P308 A311 N312 V518Y199-V203 HydrophobicContact CD1-CG2 4Å; Y199-V203 HydrophobicContact CD2-CG2 3.99Å; Y199-V203 HydrophobicContact CE1-CG2 3.65Å; Y199-V203 HydrophobicContact CE2-CG2 3.63Å; Y199-V203 HydrophobicContact CG-CG2 4.15Å; Y199-V203 VanDerWaalsContact CZ-CG2 3.44Å; Y199-V203 VanDerWaalsContact O-CG2 3.3Å; Y199-V203 WeakPolarHBondContact O-CG2 3.25Å; Y199-V203 PolarHBondContact O-N 2.99Å; V203-P308 WeakPolarHBondContact O-CB 3.27Å; V203-A311 HydrophobicContact CG1-CB 4.37Å; V203-N312 HydrophobicContact CG1-CB 4.23Å; V203-V518 WeakPolarHBondContact O-CG2 3.25Å
204K84.1Confident86.2Confident26 Ų2627.8 Ų27.811%0.11314%0.14CC..SBendtrans-143.2106.2169.7-178.9171.3-176.8-177.70108.5I202 S206 N209 G276 T278 L309 N312I202-K204 PolarHBondContact O-N 3.17Å; I202-K204 VanDerWaalsContact O-N 3.08Å; K204-S206 PolarHBondContact O-N 3Å; K204-N209 VanDerWaalsContact O-CB 3.28Å; K204-N209 WeakPolarHBondContact O-CB 3.38Å; K204-N209 PolarHBondContact O-ND2 3.12Å; K204-G276 PolarHBondContact NZ-O 3Å; K204-T278 PolarHBondContact NZ-OG1 3.35Å; K204-L309 HydrophobicContact CD-CD2 4.35Å; K204-N312 HydrophobicContact CB-CB 4.46Å
205P84.2Confident86.5Confident16 Ų1626.8 Ų26.810%0.10414%0.139CC..  trans-63.4118.4177.125.6-33.6000109.9Y487 S490 A517P205-Y487 HydrophobicContact CB-CE2 4.12Å; P205-S490 WeakPolarHBondContact CB-OG 3.21Å; P205-S490 WeakPolarHBondContact CG-O 3.35Å; P205-A517 HydrophobicContact CG-CB 4.25Å
206S84.9Confident87Confident2 Ų223.2 Ų23.21%0.01412%0.12CC..SBendtrans-158.9166.7-177.8680000109.9K204 S208 N209 S210 Y487K204-S206 PolarHBondContact O-N 3Å; S206-S208 PolarHBondContact O-N 3.2Å; S206-S208 PolarHBondContact OG-N 2.88Å; S206-S208 PolarHBondContact OG-OG 3.41Å; S206-N209 PolarHBondContact O-N 3.33Å; S206-N209 PolarHBondContact OG-N 2.99Å; S206-S210 WeakPolarHBondContact O-CB 3.36Å; S206-S210 PolarHBondContact O-N 3.15Å; S206-Y487 PolarHBondContact O-OH 3.37Å
207L86.5Confident87.1Confident70 Ų7021.6 Ų21.637%0.36611%0.113SC..Hα-helixtrans-61.2-35.3174.3-173.762.2000112S210 L274 F275L207-S210 PolarHBondContact O-OG 3.22Å; L207-L274 HydrophobicContact CB-CD1 4.29Å; L207-L274 HydrophobicContact CB-CG 4.14Å; L207-L274 VanDerWaalsContact CB-O 3.24Å; L207-L274 WeakPolarHBondContact CB-O 3.22Å; L207-L274 HydrophobicContact CD2-CD1 4.37Å; L207-L274 HydrophobicContact CD2-CD2 3.89Å; L207-L274 HydrophobicContact CD2-CG 3.91Å; L207-L274 PolarHBondContact N-O 3.1Å; L207-F275 HydrophobicContact CD2-CD1 4.38Å; L207-F275 HydrophobicContact CD2-CE1 3.92Å; L207-F275 HydrophobicContact CD2-CZ 4.19Å
208S86.3Confident87Confident5 Ų526.7 Ų26.74%0.03514%0.135CC..Hα-helixtrans-67.9-45.2176.748.70000112.8S206 S210 Y244 F275S206-S208 PolarHBondContact O-N 3.2Å; S206-S208 PolarHBondContact OG-N 2.88Å; S206-S208 PolarHBondContact OG-OG 3.41Å; S208-S210 VanDerWaalsContact C-N 3.34Å; S208-Y244 WeakPolarHBondContact CA-OH 3.39Å; S208-Y244 PolarHBondContact O-OH 3.47Å; S208-Y244 VanDerWaalsContact O-OH 3.1Å; S208-F275 PolarHBondContact OG-O 2.9Å
209N88.8Confident87Confident0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-77.1-19.9179.3-78.4-23.2000113.5K204 S206 I211 Y212 F213 H248 N312K204-N209 VanDerWaalsContact O-CB 3.28Å; K204-N209 WeakPolarHBondContact O-CB 3.38Å; K204-N209 PolarHBondContact O-ND2 3.12Å; S206-N209 PolarHBondContact O-N 3.33Å; S206-N209 PolarHBondContact OG-N 2.99Å; N209-I211 PolarHBondContact O-N 3.46Å; N209-I211 VanDerWaalsContact O-N 3.12Å; N209-Y212 HydrophobicContact CB-CD2 4.38Å; N209-Y212 PolarHBondContact O-N 3.4Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.38Å; N209-F213 PolarHBondContact O-N 3.49Å; N209-H248 PolarHBondContact OD1-CE1 3.06Å; N209-N312 PolarHBondContact ND2-OD1 3.19Å
210S87.5Confident86.8Confident17 Ų1723.3 Ų23.312%0.11912%0.122CC..Hα-helixtrans-55.1-31.4175.678.30000112.9S206 L207 S208 Y212 F213 L214 Y487S206-S210 WeakPolarHBondContact O-CB 3.36Å; S206-S210 PolarHBondContact O-N 3.15Å; L207-S210 PolarHBondContact O-OG 3.22Å; S208-S210 VanDerWaalsContact C-N 3.34Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 2.97Å; S210-F213 PolarHBondContact O-N 2.86Å; S210-L214 WeakPolarHBondContact O-CB 3.39Å; S210-L214 VanDerWaalsContact O-CG 3.31Å; S210-L214 WeakPolarHBondContact O-CG 3.13Å; S210-L214 PolarHBondContact O-N 3.48Å; S210-Y487 WeakPolarHBondContact CA-OH 3.17Å; S210-Y487 PolarHBondContact N-OH 3.05Å
211I89.9Confident86.6Confident57 Ų5725.3 Ų25.329%0.29213%0.134SC..Hα-helixtrans-64.5-35.3178.3-66.6177.1000111.4N209 A215 F240 Y244N209-I211 PolarHBondContact O-N 3.46Å; N209-I211 VanDerWaalsContact O-N 3.12Å; I211-A215 VanDerWaalsContact O-CB 3.29Å; I211-A215 WeakPolarHBondContact O-CB 3.28Å; I211-A215 PolarHBondContact O-N 3.03Å; I211-A215 VanDerWaalsContact O-N 3.12Å; I211-F240 HydrophobicContact CG2-CE1 4.05Å; I211-Y244 HydrophobicContact CB-CE1 4.18Å; I211-Y244 HydrophobicContact CD1-CE1 4.2Å; I211-Y244 HydrophobicContact CD1-CE2 3.86Å; I211-Y244 HydrophobicContact CG2-CD1 4.25Å; I211-Y244 HydrophobicContact CG2-CE1 4.24Å
212Y90.8Very high86.6Confident0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-75.1-39.1174.6-49.9-67.7000111.6V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.28Å; V200-Y212 HydrophobicContact CB-CG 4.27Å; V200-Y212 HydrophobicContact CG1-CD1 4.29Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE1 4.46Å; V200-Y212 HydrophobicContact CG1-CE2 3.6Å; V200-Y212 HydrophobicContact CG1-CG 3.77Å; N209-Y212 HydrophobicContact CB-CD2 4.38Å; N209-Y212 PolarHBondContact O-N 3.4Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.38Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 2.97Å; Y212-A215 PolarHBondContact O-N 2.78Å; Y212-F216 PolarHBondContact O-N 3.12Å; Y212-L241 HydrophobicContact CD1-CD2 3.89Å; Y212-L241 HydrophobicContact CE1-CD2 4.13Å; Y212-Y244 AromaticContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CE1 4.16Å; Y212-Y244 HydrophobicContact CE2-CD1 4.45Å; Y212-Y244 HydrophobicContact CE2-CE1 4.02Å; Y212-Y244 AromaticContact CZ-CD1 3.63Å; Y212-Y244 AromaticContact CZ-CE1 3.63Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.39Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.29Å; Y212-H248 AromaticContact CE2-ND1 3.76Å; Y212-H248 AromaticContact CZ-ND1 3.96Å; Y212-H248 PolarHBondContact OH-ND1 2.82Å; Y212-F319 HydrophobicContact CD1-CE1 4.01Å; Y212-F319 HydrophobicContact CD1-CZ 4.37Å; Y212-F319 HydrophobicContact CE1-CD1 4.22Å; Y212-F319 AromaticContact CE1-CE1 3.73Å; Y212-F319 HydrophobicContact CE1-CE1 3.73Å
213F88.3Confident86.3Confident3 Ų335.5 Ų35.51%0.01317%0.172CC..Hα-helixtrans-65.6-44.6177.4-173.2-112.5000112.3I202 N209 S210 A215 F216 L217 Y487 T525I202-F213 HydrophobicContact CG1-CD2 4.18Å; I202-F213 HydrophobicContact CG1-CE2 4.27Å; N209-F213 PolarHBondContact O-N 3.49Å; S210-F213 PolarHBondContact O-N 2.86Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 2.84Å; F213-F216 HydrophobicContact CD2-CD1 4.38Å; F213-F216 HydrophobicContact CE2-CD1 4.41Å; F213-F216 WeakPolarHBondContact O-CB 3.32Å; F213-F216 PolarHBondContact O-N 3.38Å; F213-L217 HydrophobicContact CD1-CD1 4.07Å; F213-L217 HydrophobicContact CE1-CD1 3.64Å; F213-L217 HydrophobicContact CE1-CG 4.27Å; F213-L217 HydrophobicContact CZ-CD1 4.1Å; F213-L217 HydrophobicContact CZ-CG 4.36Å; F213-L217 PolarHBondContact O-N 3.13Å; F213-Y487 HydrophobicContact CB-CE2 4.1Å; F213-Y487 HydrophobicContact CD1-CD1 4.4Å; F213-Y487 AromaticContact CD1-CD2 3.72Å; F213-Y487 HydrophobicContact CD1-CD2 3.72Å; F213-Y487 HydrophobicContact CD1-CE2 4.01Å; F213-Y487 AromaticContact CD1-CG 3.95Å; F213-Y487 HydrophobicContact CD1-CG 3.95Å; F213-Y487 HydrophobicContact CD2-CD2 4.42Å; F213-Y487 HydrophobicContact CD2-CE2 4.41Å; F213-Y487 AromaticContact CE1-CD2 3.84Å; F213-Y487 HydrophobicContact CE1-CD2 3.84Å; F213-Y487 AromaticContact CE1-CG 3.96Å; F213-Y487 HydrophobicContact CE1-CG 3.96Å; F213-Y487 HydrophobicContact CG-CD2 4.03Å; F213-Y487 AromaticContact CG-CE2 3.93Å; F213-Y487 HydrophobicContact CG-CE2 3.93Å; F213-Y487 HydrophobicContact CZ-CD2 4.25Å; F213-T525 HydrophobicContact CE2-CG2 4.19Å
214L88.5Confident86.2Confident99 Ų9935.4 Ų35.452%0.51817%0.171SC..Hα-helixtrans-64.1-37.4173.7-70.7172.1000112S210 F216 L217 F218S210-L214 WeakPolarHBondContact O-CB 3.39Å; S210-L214 VanDerWaalsContact O-CG 3.31Å; S210-L214 WeakPolarHBondContact O-CG 3.13Å; S210-L214 PolarHBondContact O-N 3.48Å; L214-F216 VanDerWaalsContact C-N 3.35Å; L214-L217 PolarHBondContact O-N 3.33Å; L214-F218 VanDerWaalsContact O-CB 3.22Å; L214-F218 WeakPolarHBondContact O-CB 3.37Å; L214-F218 PolarHBondContact O-N 3.26Å
215A86.9Confident86.2Confident20 Ų2036.9 Ų36.917%0.16518%0.182CC..Hα-helixtrans-64-39.1172.400000112T197 I211 Y212 F213 I219T197-A215 HydrophobicContact CG2-CB 4.4Å; I211-A215 VanDerWaalsContact O-CB 3.29Å; I211-A215 WeakPolarHBondContact O-CB 3.28Å; I211-A215 PolarHBondContact O-N 3.03Å; I211-A215 VanDerWaalsContact O-N 3.12Å; Y212-A215 PolarHBondContact O-N 2.78Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 2.84Å; A215-I219 WeakPolarHBondContact O-CB 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.34Å; A215-I219 WeakPolarHBondContact O-CG1 3.19Å; A215-I219 PolarHBondContact O-N 3.27Å
216F88.5Confident85.9Confident6 Ų639.1 Ų39.13%0.02619%0.189CC..Hα-helixtrans-64.2-48.6174161.2-104.7000112.3F194 A198 Y212 F213 L214 I219 S220 T525F194-F216 HydrophobicContact CD2-CD2 4.31Å; F194-F216 HydrophobicContact CE1-CE2 4.02Å; F194-F216 AromaticContact CE2-CD2 3.74Å; F194-F216 HydrophobicContact CE2-CD2 3.74Å; F194-F216 AromaticContact CE2-CE2 3.84Å; F194-F216 HydrophobicContact CE2-CE2 3.84Å; F194-F216 AromaticContact CZ-CD2 3.9Å; F194-F216 HydrophobicContact CZ-CD2 3.9Å; F194-F216 AromaticContact CZ-CE2 3.48Å; F194-F216 HydrophobicContact CZ-CE2 3.48Å; F194-F216 VanDerWaalsContact CZ-CE2 3.48Å; A198-F216 HydrophobicContact CB-CB 4.3Å; A198-F216 HydrophobicContact CB-CD1 4.03Å; A198-F216 HydrophobicContact CB-CD2 3.52Å; A198-F216 HydrophobicContact CB-CE1 4.24Å; A198-F216 HydrophobicContact CB-CE2 3.73Å; A198-F216 HydrophobicContact CB-CG 3.66Å; A198-F216 HydrophobicContact CB-CZ 4.09Å; Y212-F216 PolarHBondContact O-N 3.12Å; F213-F216 HydrophobicContact CD2-CD1 4.38Å; F213-F216 HydrophobicContact CE2-CD1 4.41Å; F213-F216 WeakPolarHBondContact O-CB 3.32Å; F213-F216 PolarHBondContact O-N 3.38Å; L214-F216 VanDerWaalsContact C-N 3.35Å; F216-I219 PolarHBondContact O-N 3.47Å; F216-S220 WeakPolarHBondContact CE2-OG 3.28Å; F216-S220 WeakPolarHBondContact O-CB 3.21Å; F216-S220 PolarHBondContact O-N 2.89Å; F216-S220 PolarHBondContact O-OG 3.19Å; F216-T525 HydrophobicContact CE1-CG2 4.42Å
217L86Confident85.3Confident13 Ų1342.1 Ų42.17%0.06821%0.208CC..Hα-helixtrans-59.5-51.4176.1-70.9179000110.3F213 L214 I219 S220 T221 L483 I484F213-L217 HydrophobicContact CD1-CD1 4.07Å; F213-L217 HydrophobicContact CE1-CD1 3.64Å; F213-L217 HydrophobicContact CE1-CG 4.27Å; F213-L217 HydrophobicContact CZ-CD1 4.1Å; F213-L217 HydrophobicContact CZ-CG 4.36Å; F213-L217 PolarHBondContact O-N 3.13Å; L214-L217 PolarHBondContact O-N 3.33Å; L217-I219 VanDerWaalsContact C-N 3.34Å; L217-I219 PolarHBondContact O-N 3.27Å; L217-S220 WeakPolarHBondContact O-CA 3.46Å; L217-S220 WeakPolarHBondContact O-CB 3.14Å; L217-S220 PolarHBondContact O-N 2.91Å; L217-T221 PolarHBondContact O-N 3.04Å; L217-T221 PolarHBondContact O-OG1 3.35Å; L217-L483 HydrophobicContact CD2-CD1 4.35Å; L217-I484 HydrophobicContact CD1-CG1 4.2Å
218F85.8Confident84.4Confident111 Ų11144.5 Ų44.549%0.48723%0.227SC..Hα-helixtrans-54.3-45.7178-179.5-99.9000112.8L214 W222L214-F218 VanDerWaalsContact O-CB 3.22Å; L214-F218 WeakPolarHBondContact O-CB 3.37Å; L214-F218 PolarHBondContact O-N 3.26Å; F218-W222 HydrophobicContact CE1-CE3 4.13Å; F218-W222 HydrophobicContact CE2-CE3 4.01Å; F218-W222 HydrophobicContact CE2-CZ3 4.29Å; F218-W222 AromaticContact CZ-CE3 3.55Å; F218-W222 HydrophobicContact CZ-CE3 3.55Å; F218-W222 AromaticContact CZ-CZ3 3.79Å; F218-W222 HydrophobicContact CZ-CZ3 3.79Å; F218-W222 WeakPolarHBondContact O-CB 3.4Å; F218-W222 PolarHBondContact O-N 3.1Å
219I84.4Confident83.5Confident29 Ų2946.8 Ų46.815%0.14924%0.239CC..Hα-helixtrans-67.2-36.9177.5-66.8165.3000111.4F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.43Å; F194-I219 HydrophobicContact CD2-CG2 3.72Å; F194-I219 HydrophobicContact CE2-CB 4.38Å; F194-I219 HydrophobicContact CE2-CG2 3.87Å; A215-I219 WeakPolarHBondContact O-CB 3.41Å; A215-I219 WeakPolarHBondContact O-CD1 3.34Å; A215-I219 WeakPolarHBondContact O-CG1 3.19Å; A215-I219 PolarHBondContact O-N 3.27Å; F216-I219 PolarHBondContact O-N 3.47Å; L217-I219 VanDerWaalsContact C-N 3.34Å; L217-I219 PolarHBondContact O-N 3.27Å; I219-W223 VanDerWaalsContact O-CB 3.28Å; I219-W223 WeakPolarHBondContact O-CB 3.43Å; I219-W223 PolarHBondContact O-N 2.91Å
220S82.5Confident82.6Confident3 Ų356.6 Ų56.62%0.02128%0.276CS..Hα-helixtrans-68.6-49.7178.8-590000112.2F194 F216 L217 W222 W223 S224F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.36Å; F194-S220 VanDerWaalsContact CZ-OG 3.26Å; F194-S220 WeakPolarHBondContact CZ-OG 3.48Å; F216-S220 WeakPolarHBondContact CE2-OG 3.28Å; F216-S220 WeakPolarHBondContact O-CB 3.21Å; F216-S220 PolarHBondContact O-N 2.89Å; F216-S220 PolarHBondContact O-OG 3.19Å; L217-S220 WeakPolarHBondContact O-CA 3.46Å; L217-S220 WeakPolarHBondContact O-CB 3.14Å; L217-S220 PolarHBondContact O-N 2.91Å; S220-W222 VanDerWaalsContact C-N 3.35Å; S220-W222 PolarHBondContact O-N 3.38Å; S220-W223 WeakPolarHBondContact O-CB 3.26Å; S220-W223 PolarHBondContact O-N 2.81Å; S220-S224 PolarHBondContact O-N 3.41Å
221T85.8Confident81.7Confident42 Ų4262.4 Ų62.426%0.25830%0.301SS..Hα-helixtrans-61.8-44.7175.9-44.10000109.4L217 W223 S224 T225 E480L217-T221 PolarHBondContact O-N 3.04Å; L217-T221 PolarHBondContact O-OG1 3.35Å; T221-W223 PolarHBondContact O-N 2.98Å; T221-S224 WeakPolarHBondContact O-CB 3.31Å; T221-S224 PolarHBondContact O-N 3.48Å; T221-S224 PolarHBondContact O-OG 2.86Å; T221-T225 WeakPolarHBondContact O-CG2 3.48Å; T221-T225 PolarHBondContact O-N 3.44Å; T221-T225 VanDerWaalsContact O-N 3.13Å; T221-E480 WeakPolarHBondContact CG2-OE1 3.31Å; T221-E480 PolarHBondContact OG1-OE1 3.49Å
222W85.1Confident80.8Confident105 Ų10561.9 Ų61.940%0.39831%0.309SS..Hα-helixtrans-57.2-46.5173.8-162.3-72.4000112.1F218 S220 S224 T225 T227 L229F218-W222 HydrophobicContact CE1-CE3 4.13Å; F218-W222 HydrophobicContact CE2-CE3 4.01Å; F218-W222 HydrophobicContact CE2-CZ3 4.29Å; F218-W222 AromaticContact CZ-CE3 3.55Å; F218-W222 HydrophobicContact CZ-CE3 3.55Å; F218-W222 AromaticContact CZ-CZ3 3.79Å; F218-W222 HydrophobicContact CZ-CZ3 3.79Å; F218-W222 WeakPolarHBondContact O-CB 3.4Å; F218-W222 PolarHBondContact O-N 3.1Å; S220-W222 VanDerWaalsContact C-N 3.35Å; S220-W222 PolarHBondContact O-N 3.38Å; W222-S224 VanDerWaalsContact C-N 3.29Å; W222-S224 PolarHBondContact O-N 3.45Å; W222-T225 PolarHBondContact O-N 3.04Å; W222-T225 VanDerWaalsContact O-N 3.15Å; W222-T225 PolarHBondContact O-OG1 3.29Å; W222-T227 PolarHBondContact NE1-OG1 3.37Å; W222-L229 HydrophobicContact CD2-CD1 4.16Å; W222-L229 HydrophobicContact CG-CD1 4.09Å
223W82.8Confident80.1Confident120 Ų12064.9 Ų64.946%0.45533%0.328SS..Hα-helixtrans-61.5-34.7175.4-18095.5000112.7I219 S220 T221 T225 Y226 R536I219-W223 VanDerWaalsContact O-CB 3.28Å; I219-W223 WeakPolarHBondContact O-CB 3.43Å; I219-W223 PolarHBondContact O-N 2.91Å; S220-W223 WeakPolarHBondContact O-CB 3.26Å; S220-W223 PolarHBondContact O-N 2.81Å; T221-W223 PolarHBondContact O-N 2.98Å; W223-T225 VanDerWaalsContact C-N 3.33Å; W223-T225 PolarHBondContact O-N 2.96Å; W223-Y226 PolarHBondContact O-N 3.48Å; W223-R536 VanDerWaalsContact CE2-CZ 3.46Å; W223-R536 VanDerWaalsContact CE2-NH1 3.32Å; W223-R536 VanDerWaalsContact CH2-CD 3.44Å; W223-R536 HydrophobicContact CZ3-CB 4.47Å; W223-R536 VanDerWaalsContact CZ3-CD 3.49Å; W223-R536 PolarHBondContact O-NH1 3.35Å
224S83.4Confident79.6Confident0 Ų066.4 Ų66.40%033%0.334CS..Hα-helixtrans-68.3-29.1175.983.20000113.2S220 T221 W222 Y226 R536S220-S224 PolarHBondContact O-N 3.41Å; T221-S224 WeakPolarHBondContact O-CB 3.31Å; T221-S224 PolarHBondContact O-N 3.48Å; T221-S224 PolarHBondContact O-OG 2.86Å; W222-S224 VanDerWaalsContact C-N 3.29Å; W222-S224 PolarHBondContact O-N 3.45Å; S224-Y226 PolarHBondContact O-N 2.92Å; S224-R536 WeakPolarHBondContact O-CA 3.36Å
225T83.2Confident79Confident56 Ų5663.3 Ų63.334%0.34432%0.318SS..THydrogen-bonded Turntrans-71.8-5.7178.768.40000115T221 W222 W223 T227T221-T225 WeakPolarHBondContact O-CG2 3.48Å; T221-T225 PolarHBondContact O-N 3.44Å; T221-T225 VanDerWaalsContact O-N 3.13Å; W222-T225 PolarHBondContact O-N 3.04Å; W222-T225 VanDerWaalsContact O-N 3.15Å; W222-T225 PolarHBondContact O-OG1 3.29Å; W223-T225 VanDerWaalsContact C-N 3.33Å; W223-T225 PolarHBondContact O-N 2.96Å; T225-T227 VanDerWaalsContact C-N 3.3Å; T225-T227 PolarHBondContact O-N 2.82Å; T225-T227 PolarHBondContact OG1-OG1 3.1Å
226Y77.2Confident78.8Confident63 Ų6368.7 Ų68.725%0.24734%0.34CS..THydrogen-bonded Turntrans63.927.3-178-162.4-104.9000114.3W223 S224 R540 F543W223-Y226 PolarHBondContact O-N 3.48Å; S224-Y226 PolarHBondContact O-N 2.92Å; Y226-R540 HydrophobicContact CD2-CB 4.15Å; Y226-R540 HydrophobicContact CE2-CB 4.16Å; Y226-R540 HydrophobicContact CE2-CG 4.02Å; Y226-F543 HydrophobicContact CD1-CB 4.25Å; Y226-F543 HydrophobicContact CD1-CD1 4.3Å; Y226-F543 HydrophobicContact CD1-CG 4.14Å; Y226-F543 HydrophobicContact CE1-CB 4.29Å; Y226-F543 AromaticContact CE1-CD1 3.57Å; Y226-F543 HydrophobicContact CE1-CD1 3.57Å; Y226-F543 AromaticContact CE1-CE1 4Å; Y226-F543 HydrophobicContact CE1-CE1 4Å; Y226-F543 AromaticContact CE1-CG 3.87Å; Y226-F543 HydrophobicContact CE1-CG 3.87Å
227T73.7Confident78.5Confident65 Ų6570.2 Ų70.240%0.39935%0.347SS..  trans-104.2141.917660.40000112.2W222 T225W222-T227 PolarHBondContact NE1-OG1 3.37Å; T225-T227 VanDerWaalsContact C-N 3.3Å; T225-T227 PolarHBondContact O-N 2.82Å; T225-T227 PolarHBondContact OG1-OG1 3.1Å
228P67.8Low78.5Confident120 Ų12069.7 Ų69.778%0.77934%0.344SS*.  trans-82.1127.8-176.230.9-33.8000112.9R230P228-R230 PolarHBondContact O-N 3.39Å
229L66.5Low78.4Confident54 Ų5471 Ų7128%0.28335%0.35SS..  trans-79.4111.1175.2-156.679.7000110.1W222 H231 Y234W222-L229 HydrophobicContact CD2-CD1 4.16Å; W222-L229 HydrophobicContact CG-CD1 4.09Å; L229-H231 PolarHBondContact O-N 3.21Å; L229-Y234 HydrophobicContact CD2-CD2 3.77Å; L229-Y234 HydrophobicContact CD2-CG 4.02Å
230R70.8Confident78.6Confident206 Ų20675.1 Ų75.178%0.77737%0.367SS*.  trans-60.6136.1-178.7-70.9-176.9175.7-175.7-1.5111.2P228 G232 V233 Y234P228-R230 PolarHBondContact O-N 3.39Å; R230-G232 PolarHBondContact O-N 3Å; R230-G232 VanDerWaalsContact O-N 3.12Å; R230-V233 HydrophobicContact CB-CG2 4.24Å; R230-V233 PolarHBondContact O-N 2.67Å; R230-Y234 PolarHBondContact O-N 3.4Å
231H67Low78.9Confident138 Ų13875.4 Ų75.464%0.63937%0.368SS*.Hα-helixtrans-53.5-35.5179.9-82.3-78.7000113.9L229 N235L229-H231 PolarHBondContact O-N 3.21Å; H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.3Å; H231-N235 VanDerWaalsContact O-CG 3.29Å; H231-N235 PolarHBondContact O-N 2.84Å; H231-N235 PolarHBondContact O-ND2 3.49Å
232G70.9Confident78.9Confident46 Ų4674.8 Ų74.847%0.47436%0.363SS..Hα-helixtrans-61.4-48.8174.400000113R230 N235 Q236R230-G232 PolarHBondContact O-N 3Å; R230-G232 VanDerWaalsContact O-N 3.12Å; G232-N235 PolarHBondContact O-N 3.39Å; G232-Q236 WeakPolarHBondContact O-CG 3.47Å; G232-Q236 PolarHBondContact O-N 3.47Å
233V77.3Confident79Confident63 Ų6376.6 Ų76.638%0.38237%0.374SS..Hα-helixtrans-64.6-42.6178.1-179.20000110.5R230 N235 Q236 I237R230-V233 HydrophobicContact CB-CG2 4.24Å; R230-V233 PolarHBondContact O-N 2.67Å; V233-N235 VanDerWaalsContact C-N 3.34Å; V233-N235 PolarHBondContact O-N 2.93Å; V233-Q236 WeakPolarHBondContact O-CB 3.48Å; V233-Q236 PolarHBondContact O-N 2.93Å; V233-Q236 VanDerWaalsContact O-N 3.14Å; V233-I237 HydrophobicContact CG1-CD1 4.14Å; V233-I237 WeakPolarHBondContact O-CG1 3.22Å; V233-I237 PolarHBondContact O-N 3.39Å
234Y76.3Confident79.4Confident35 Ų3572.7 Ų72.714%0.13736%0.36CS..Hα-helixtrans-65.1-37.1176.7-170.6-140.1000112.6N190 L229 R230 I237 K238N190-Y234 WeakPolarHBondContact OD1-CE1 3.39Å; L229-Y234 HydrophobicContact CD2-CD2 3.77Å; L229-Y234 HydrophobicContact CD2-CG 4.02Å; R230-Y234 PolarHBondContact O-N 3.4Å; Y234-I237 PolarHBondContact O-N 3.36Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.28Å; Y234-K238 VanDerWaalsContact CZ-CE 3.41Å; Y234-K238 WeakPolarHBondContact O-CG 3.38Å; Y234-K238 PolarHBondContact O-N 3.16Å
235N77.8Confident79.7Confident34 Ų3472.7 Ų72.718%0.18236%0.36CS..Hα-helixtrans-70.1-29.3172.9-76.6-23.7000112.6H231 G232 V233 K239 T330H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.3Å; H231-N235 VanDerWaalsContact O-CG 3.29Å; H231-N235 PolarHBondContact O-N 2.84Å; H231-N235 PolarHBondContact O-ND2 3.49Å; G232-N235 PolarHBondContact O-N 3.39Å; V233-N235 VanDerWaalsContact C-N 3.34Å; V233-N235 PolarHBondContact O-N 2.93Å; N235-K239 WeakPolarHBondContact O-CB 3.48Å; N235-K239 PolarHBondContact O-N 3.27Å; N235-T330 PolarHBondContact OD1-OG1 2.92Å
236Q81.9Confident79.8Confident134 Ų13471.2 Ų71.263%0.62635%0.353SS*.Hα-helixtrans-67.5-46.7170.2-74.3170.5-1900111.3G232 V233 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.47Å; G232-Q236 PolarHBondContact O-N 3.47Å; V233-Q236 WeakPolarHBondContact O-CB 3.48Å; V233-Q236 PolarHBondContact O-N 2.93Å; V233-Q236 VanDerWaalsContact O-N 3.14Å; Q236-K238 VanDerWaalsContact C-N 3.34Å; Q236-K238 PolarHBondContact O-N 3.35Å; Q236-K239 WeakPolarHBondContact O-CB 3.49Å; Q236-K239 PolarHBondContact O-N 3Å; Q236-K239 VanDerWaalsContact O-N 3.1Å; Q236-F240 PolarHBondContact O-N 3Å
237I82.6Confident80.3Confident37 Ų3772.1 Ų72.119%0.1936%0.361CS..Hα-helixtrans-58.1-46174-66.3165.6000110.2V233 Y234 K239 F240 L241V233-I237 HydrophobicContact CG1-CD1 4.14Å; V233-I237 WeakPolarHBondContact O-CG1 3.22Å; V233-I237 PolarHBondContact O-N 3.39Å; Y234-I237 PolarHBondContact O-N 3.36Å; I237-K239 PolarHBondContact O-N 3.38Å; I237-F240 PolarHBondContact O-N 2.7Å; I237-L241 HydrophobicContact CG2-CD1 3.75Å; I237-L241 HydrophobicContact CG2-CG 4.43Å; I237-L241 WeakPolarHBondContact O-CB 3.37Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.09Å; I237-L241 PolarHBondContact O-N 3.01Å
238K85Confident81.1Confident2 Ų269.4 Ų69.41%0.00934%0.344CS..Hα-helixtrans-58.2-43.6172.7-75176.5-179.9174.90112.5N190 L193 Y234 Q236 F240 L241 I242N190-K238 PolarHBondContact OD1-NZ 3.34Å; L193-K238 HydrophobicContact CD2-CD 4.47Å; L193-K238 HydrophobicContact CD2-CG 4.47Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.28Å; Y234-K238 VanDerWaalsContact CZ-CE 3.41Å; Y234-K238 WeakPolarHBondContact O-CG 3.38Å; Y234-K238 PolarHBondContact O-N 3.16Å; Q236-K238 VanDerWaalsContact C-N 3.34Å; Q236-K238 PolarHBondContact O-N 3.35Å; K238-F240 PolarHBondContact O-N 2.93Å; K238-L241 PolarHBondContact O-N 3.43Å; K238-I242 WeakPolarHBondContact O-CB 3.47Å; K238-I242 WeakPolarHBondContact O-CD1 3.31Å; K238-I242 WeakPolarHBondContact O-CG1 3.26Å; K238-I242 PolarHBondContact O-N 3.35Å
239K84.8Confident82.1Confident140 Ų14064.6 Ų64.661%0.60931%0.311SS*.Hα-helixtrans-63.1-40.9178.6-172.2-175.1176.8-168.80111.8N235 Q236 I237 F243N235-K239 WeakPolarHBondContact O-CB 3.48Å; N235-K239 PolarHBondContact O-N 3.27Å; Q236-K239 WeakPolarHBondContact O-CB 3.49Å; Q236-K239 PolarHBondContact O-N 3Å; Q236-K239 VanDerWaalsContact O-N 3.1Å; I237-K239 PolarHBondContact O-N 3.38Å; K239-F243 PolarHBondContact O-N 3.28Å; K239-F243 VanDerWaalsContact O-N 3.14Å
240F88.8Confident83Confident114 Ų11464.7 Ų64.750%0.531%0.312SS..Hα-helixtrans-62.4-48.6172.9174.5-100.8000111.3I211 Q236 I237 K238 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 4.05Å; Q236-F240 PolarHBondContact O-N 3Å; I237-F240 PolarHBondContact O-N 2.7Å; K238-F240 PolarHBondContact O-N 2.93Å; F240-I242 VanDerWaalsContact C-N 3.35Å; F240-I242 PolarHBondContact O-N 3.11Å; F240-F243 PolarHBondContact O-N 3.12Å; F240-Y244 WeakPolarHBondContact O-CB 3.27Å; F240-Y244 PolarHBondContact O-N 3.07Å
241L87.3Confident83.8Confident10 Ų1057.9 Ų57.95%0.05229%0.293CS..Hα-helixtrans-64.1-34.1178.9-70166.6000113.3Y212 I237 K238 S245 F319Y212-L241 HydrophobicContact CD1-CD2 3.89Å; Y212-L241 HydrophobicContact CE1-CD2 4.13Å; I237-L241 HydrophobicContact CG2-CD1 3.75Å; I237-L241 HydrophobicContact CG2-CG 4.43Å; I237-L241 WeakPolarHBondContact O-CB 3.37Å; I237-L241 VanDerWaalsContact O-CG 3.32Å; I237-L241 WeakPolarHBondContact O-CG 3.09Å; I237-L241 PolarHBondContact O-N 3.01Å; K238-L241 PolarHBondContact O-N 3.43Å; L241-S245 VanDerWaalsContact O-CB 3.28Å; L241-S245 WeakPolarHBondContact O-CB 3.31Å; L241-S245 PolarHBondContact O-N 3.06Å; L241-S245 PolarHBondContact O-OG 2.98Å; L241-F319 HydrophobicContact CB-CE1 4.1Å; L241-F319 HydrophobicContact CB-CZ 4.18Å; L241-F319 HydrophobicContact CD1-CZ 4.22Å; L241-F319 HydrophobicContact CD2-CE1 4.37Å; L241-F319 HydrophobicContact CD2-CZ 4.31Å; L241-F319 HydrophobicContact CG-CZ 4.48Å
242I86.7Confident84.7Confident28 Ų2851.9 Ų51.914%0.14427%0.265CS..Hα-helixtrans-65.9-44.9173.4-71.5162.5000110.8K238 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.47Å; K238-I242 WeakPolarHBondContact O-CD1 3.31Å; K238-I242 WeakPolarHBondContact O-CG1 3.26Å; K238-I242 PolarHBondContact O-N 3.35Å; F240-I242 VanDerWaalsContact C-N 3.35Å; F240-I242 PolarHBondContact O-N 3.11Å; I242-S245 PolarHBondContact O-OG 3.02Å; I242-A246 WeakPolarHBondContact O-CB 3.31Å; I242-A246 PolarHBondContact O-N 2.86Å; I242-A246 VanDerWaalsContact O-N 3.15Å; I242-F320 HydrophobicContact CG2-CD2 4.3Å; I242-F320 HydrophobicContact CG2-CE2 3.97Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.16Å; I242-V324 HydrophobicContact CD1-CG2 4.22Å; I242-V324 HydrophobicContact CG1-CG2 4.12Å; I242-V324 HydrophobicContact CG2-CG2 3.81Å; I242-Y327 HydrophobicContact CD1-CD1 4.27Å; I242-Y327 HydrophobicContact CD1-CG 3.98Å
243F88.3Confident85.4Confident144 Ų14450.7 Ų50.763%0.63225%0.247SC*.Hα-helixtrans-65.9-45.9177.1178.1-100.3000111.4K239 F240 A246 L247K239-F243 PolarHBondContact O-N 3.28Å; K239-F243 VanDerWaalsContact O-N 3.14Å; F240-F243 PolarHBondContact O-N 3.12Å; F243-A246 PolarHBondContact O-N 2.66Å; F243-L247 WeakPolarHBondContact O-CB 3.48Å; F243-L247 PolarHBondContact O-N 2.88Å
244Y90.9Very high85.8Confident38 Ų3849.2 Ų49.215%0.14924%0.238CC..Hα-helixtrans-65.5-42.1179.8-173.6-106.3000112.5S208 I211 Y212 F240 L247 H248S208-Y244 WeakPolarHBondContact CA-OH 3.39Å; S208-Y244 PolarHBondContact O-OH 3.47Å; S208-Y244 VanDerWaalsContact O-OH 3.1Å; I211-Y244 HydrophobicContact CB-CE1 4.18Å; I211-Y244 HydrophobicContact CD1-CE1 4.2Å; I211-Y244 HydrophobicContact CD1-CE2 3.86Å; I211-Y244 HydrophobicContact CG2-CD1 4.25Å; I211-Y244 HydrophobicContact CG2-CE1 4.24Å; Y212-Y244 AromaticContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CE1 4.16Å; Y212-Y244 HydrophobicContact CE2-CD1 4.45Å; Y212-Y244 HydrophobicContact CE2-CE1 4.02Å; Y212-Y244 AromaticContact CZ-CD1 3.63Å; Y212-Y244 AromaticContact CZ-CE1 3.63Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.39Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.29Å; F240-Y244 WeakPolarHBondContact O-CB 3.27Å; F240-Y244 PolarHBondContact O-N 3.07Å; Y244-L247 PolarHBondContact O-N 3.47Å; Y244-H248 HydrophobicContact CE1-CB 4.47Å; Y244-H248 WeakPolarHBondContact O-CB 3.42Å; Y244-H248 PolarHBondContact O-N 3.28Å
245S88.2Confident86.3Confident0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-66.8-36.6176.352.20000113.2L241 I242 F249L241-S245 VanDerWaalsContact O-CB 3.28Å; L241-S245 WeakPolarHBondContact O-CB 3.31Å; L241-S245 PolarHBondContact O-N 3.06Å; L241-S245 PolarHBondContact O-OG 2.98Å; I242-S245 PolarHBondContact O-OG 3.02Å; S245-F249 WeakPolarHBondContact O-CB 3.27Å; S245-F249 PolarHBondContact O-N 2.9Å
246A86.4Confident86.6Confident24 Ų2447 Ų4720%0.19823%0.228CC..Hα-helixtrans-64.1-44.9172.200000112I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.31Å; I242-A246 PolarHBondContact O-N 2.86Å; I242-A246 VanDerWaalsContact O-N 3.15Å; F243-A246 PolarHBondContact O-N 2.66Å; A246-L250 WeakPolarHBondContact O-CB 3.34Å; A246-L250 PolarHBondContact O-N 2.89Å; A246-F320 HydrophobicContact CB-CD2 4.1Å; A246-F320 HydrophobicContact CB-CE2 3.88Å
247L88.4Confident86.7Confident82 Ų8240.6 Ų40.643%0.42920%0.198SC..Hα-helixtrans-63.7-45.6176.2-177.865.4000111.7F243 Y244 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.48Å; F243-L247 PolarHBondContact O-N 2.88Å; Y244-L247 PolarHBondContact O-N 3.47Å; L247-L250 PolarHBondContact O-N 3.18Å; L247-V251 WeakPolarHBondContact O-CG2 3.47Å; L247-V251 PolarHBondContact O-N 2.86Å
248H89.5Confident86.3Confident8 Ų839.5 Ų39.54%0.03719%0.193CC..Hα-helixtrans-62.5-44180-174.5-165.7000111.6N209 Y212 Y244 L250 V251 L252 V316N209-H248 PolarHBondContact OD1-CE1 3.06Å; Y212-H248 AromaticContact CE2-ND1 3.76Å; Y212-H248 AromaticContact CZ-ND1 3.96Å; Y212-H248 PolarHBondContact OH-ND1 2.82Å; Y244-H248 HydrophobicContact CE1-CB 4.47Å; Y244-H248 WeakPolarHBondContact O-CB 3.42Å; Y244-H248 PolarHBondContact O-N 3.28Å; H248-L250 VanDerWaalsContact C-N 3.35Å; H248-L250 PolarHBondContact O-N 3.09Å; H248-V251 PolarHBondContact O-N 3.02Å; H248-L252 WeakPolarHBondContact O-CB 3.44Å; H248-L252 WeakPolarHBondContact O-CG 3.49Å; H248-L252 PolarHBondContact O-N 3.13Å; H248-V316 HydrophobicContact CB-CG1 4.44Å
249F88.1Confident85.9Confident20 Ų2041.3 Ų41.39%0.08820%0.202CC..Hα-helixtrans-62.3-40.8173.3-173.7-96.2000112.2L21 V36 S245 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.31Å; L21-F249 HydrophobicContact CD2-CZ 4.38Å; V36-F249 HydrophobicContact CG1-CD1 4.22Å; V36-F249 HydrophobicContact CG1-CE1 3.91Å; S245-F249 WeakPolarHBondContact O-CB 3.27Å; S245-F249 PolarHBondContact O-N 2.9Å; F249-L252 PolarHBondContact O-N 2.65Å; F249-Y253 VanDerWaalsContact O-CB 3.29Å; F249-Y253 WeakPolarHBondContact O-CB 3.47Å; F249-Y253 PolarHBondContact O-N 2.91Å; F249-V316 HydrophobicContact CB-CG1 4.26Å; F249-L317 HydrophobicContact CD1-CD1 4.5Å; F249-L317 HydrophobicContact CD2-CB 4.18Å; F249-L317 HydrophobicContact CD2-CD1 4.2Å; F249-L317 HydrophobicContact CE1-CD1 4.26Å; F249-L317 HydrophobicContact CE2-CB 4.05Å; F249-L317 HydrophobicContact CE2-CD1 3.95Å; F249-L317 HydrophobicContact CE2-CG 4.42Å; F249-L317 HydrophobicContact CG-CD1 4.47Å; F249-L317 HydrophobicContact CZ-CD1 3.99Å
250L87Confident85.7Confident55 Ų5535 Ų3529%0.28818%0.175SC..Hα-helixtrans-65.7-39.6178.6-160.8157000111.6L37 A246 L247 H248 Y253 T254L37-L250 HydrophobicContact CD2-CD1 4.09Å; A246-L250 WeakPolarHBondContact O-CB 3.34Å; A246-L250 PolarHBondContact O-N 2.89Å; L247-L250 PolarHBondContact O-N 3.18Å; H248-L250 VanDerWaalsContact C-N 3.35Å; H248-L250 PolarHBondContact O-N 3.09Å; L250-Y253 PolarHBondContact O-N 3.38Å; L250-T254 WeakPolarHBondContact O-CB 3.08Å; L250-T254 PolarHBondContact O-N 2.75Å; L250-T254 PolarHBondContact O-OG1 3.24Å
251V87.1Confident85.2Confident63 Ų6330 Ų3038%0.38215%0.153SC..Hα-helixtrans-65.4-48173.51720000111.3L247 H248 Y253 T254 Y255 L277L247-V251 WeakPolarHBondContact O-CG2 3.47Å; L247-V251 PolarHBondContact O-N 2.86Å; H248-V251 PolarHBondContact O-N 3.02Å; V251-Y253 VanDerWaalsContact C-N 3.28Å; V251-Y253 PolarHBondContact O-N 3.46Å; V251-T254 PolarHBondContact O-N 2.88Å; V251-Y255 PolarHBondContact O-N 2.82Å; V251-L277 HydrophobicContact CG1-CD2 3.77Å
252L85.6Confident84.6Confident12 Ų1234.6 Ų34.66%0.06318%0.175CC..Hα-helixtrans-58.1-40.1176.5-75.1171.1000112.1H248 F249 Q256 L277 P313H248-L252 WeakPolarHBondContact O-CB 3.44Å; H248-L252 WeakPolarHBondContact O-CG 3.49Å; H248-L252 PolarHBondContact O-N 3.13Å; F249-L252 PolarHBondContact O-N 2.65Å; L252-Q256 WeakPolarHBondContact O-CG 3.32Å; L252-Q256 PolarHBondContact O-NE2 3.36Å; L252-L277 HydrophobicContact CD2-CD2 4.16Å; L252-P313 HydrophobicContact CD1-CB 4.43Å
253Y86.2Confident84.1Confident21 Ų2136.8 Ų36.88%0.08219%0.193CC..Hα-helixtrans-69.3-45176.8-172.3-92.8000112.3A24 S32 I33 V36 F249 L250 V251 Y255 Q256A24-Y253 HydrophobicContact CB-CE2 4.18Å; A24-Y253 WeakPolarHBondContact CB-OH 3.44Å; A24-Y253 PolarHBondContact O-OH 3.39Å; S32-Y253 VanDerWaalsContact CB-OH 3.26Å; S32-Y253 WeakPolarHBondContact CB-OH 3.1Å; S32-Y253 PolarHBondContact OG-OH 3Å; I33-Y253 HydrophobicContact CG1-CE1 4.28Å; V36-Y253 HydrophobicContact CG2-CD1 4.11Å; V36-Y253 HydrophobicContact CG2-CD2 4.16Å; V36-Y253 HydrophobicContact CG2-CE1 3.85Å; V36-Y253 HydrophobicContact CG2-CE2 3.9Å; V36-Y253 HydrophobicContact CG2-CG 4.27Å; F249-Y253 VanDerWaalsContact O-CB 3.29Å; F249-Y253 WeakPolarHBondContact O-CB 3.47Å; F249-Y253 PolarHBondContact O-N 2.91Å; L250-Y253 PolarHBondContact O-N 3.38Å; V251-Y253 VanDerWaalsContact C-N 3.28Å; V251-Y253 PolarHBondContact O-N 3.46Å; Y253-Y255 VanDerWaalsContact C-N 3.27Å; Y253-Y255 PolarHBondContact O-N 2.69Å; Y253-Q256 WeakPolarHBondContact O-CB 3.27Å; Y253-Q256 PolarHBondContact O-N 3.45Å
254T85.9Confident83.7Confident33 Ų3337.2 Ų37.220%0.20219%0.19CC..Hα-helixtrans-63-34.8179.9-56.30000111.5L250 V251 Q256 I257 V260L250-T254 WeakPolarHBondContact O-CB 3.08Å; L250-T254 PolarHBondContact O-N 2.75Å; L250-T254 PolarHBondContact O-OG1 3.24Å; V251-T254 PolarHBondContact O-N 2.88Å; T254-Q256 PolarHBondContact O-N 3.49Å; T254-I257 HydrophobicContact CG2-CD1 4.47Å; T254-I257 WeakPolarHBondContact O-CB 3.45Å; T254-I257 WeakPolarHBondContact O-CG1 3.42Å; T254-I257 PolarHBondContact O-N 2.97Å; T254-I257 VanDerWaalsContact O-N 3.12Å; T254-V260 HydrophobicContact CG2-CG2 4.17Å; T254-V260 WeakPolarHBondContact O-CG2 3.31Å
255Y86.6Confident83.1Confident4 Ų438 Ų382%0.01620%0.197CC..Hα-helixtrans-64-23.2175.2-165.4-112.7000113.8V251 Y253 I257 V260 H261 L265 P272 L277 V279V251-Y255 PolarHBondContact O-N 2.82Å; Y253-Y255 VanDerWaalsContact C-N 3.27Å; Y253-Y255 PolarHBondContact O-N 2.69Å; Y255-I257 VanDerWaalsContact C-N 3.26Å; Y255-I257 PolarHBondContact O-N 3.39Å; Y255-V260 HydrophobicContact CD2-CG1 4.17Å; Y255-H261 HydrophobicContact CD2-CB 4.5Å; Y255-H261 HydrophobicContact CE1-CB 4.4Å; Y255-H261 HydrophobicContact CE2-CB 3.95Å; Y255-H261 PolarHBondContact O-ND1 2.9Å; Y255-L265 HydrophobicContact CD2-CB 4.48Å; Y255-L265 HydrophobicContact CE2-CB 3.85Å; Y255-L265 WeakPolarHBondContact CE2-O 3.41Å; Y255-L265 PolarHBondContact OH-O 3.35Å; Y255-P272 HydrophobicContact CE2-CG 4.3Å; Y255-L277 HydrophobicContact CD1-CB 3.8Å; Y255-L277 HydrophobicContact CD2-CB 4.31Å; Y255-L277 HydrophobicContact CD2-CD1 4.21Å; Y255-L277 HydrophobicContact CE1-CB 3.9Å; Y255-L277 HydrophobicContact CE2-CB 4.42Å; Y255-L277 HydrophobicContact CG-CB 4.02Å; Y255-L277 HydrophobicContact CG-CD1 4.48Å; Y255-V279 HydrophobicContact CD1-CG2 4.36Å; Y255-V279 HydrophobicContact CE1-CG2 3.67Å
256Q84.1Confident82.4Confident18 Ų1841.3 Ų41.38%0.08422%0.218CC..THydrogen-bonded Turntrans-76-11.5175.7-48.7-49-46.900113.3P28 L252 Y253 T254 T278P28-Q256 HydrophobicContact CB-CB 4.44Å; L252-Q256 WeakPolarHBondContact O-CG 3.32Å; L252-Q256 PolarHBondContact O-NE2 3.36Å; Y253-Q256 WeakPolarHBondContact O-CB 3.27Å; Y253-Q256 PolarHBondContact O-N 3.45Å; T254-Q256 PolarHBondContact O-N 3.49Å; Q256-T278 PolarHBondContact NE2-O 3.5Å
257I82.4Confident81.5Confident0 Ų044.7 Ų44.70%024%0.236CC..SBendtrans-73.7126.7178.4-56.6177000108.2F30 I33 T254 Y255 I259 V260F30-I257 HydrophobicContact CD1-CD1 4.24Å; F30-I257 HydrophobicContact CE1-CD1 4.3Å; F30-I257 HydrophobicContact CE2-CG2 4.45Å; I33-I257 HydrophobicContact CD1-CD1 3.86Å; I33-I257 HydrophobicContact CG1-CD1 4.25Å; T254-I257 HydrophobicContact CG2-CD1 4.47Å; T254-I257 WeakPolarHBondContact O-CB 3.45Å; T254-I257 WeakPolarHBondContact O-CG1 3.42Å; T254-I257 PolarHBondContact O-N 2.97Å; T254-I257 VanDerWaalsContact O-N 3.12Å; Y255-I257 VanDerWaalsContact C-N 3.26Å; Y255-I257 PolarHBondContact O-N 3.39Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 4.02Å; I257-I259 PolarHBondContact O-N 3.38Å; I257-I259 VanDerWaalsContact O-N 3.07Å; I257-V260 HydrophobicContact CB-CG2 4.04Å; I257-V260 WeakPolarHBondContact O-CB 3.29Å; I257-V260 PolarHBondContact O-N 2.92Å
258P74.8Confident80.5Confident14 Ų1443.5 Ų43.59%0.09124%0.244CC..Hα-helixtrans-53.6-36.5-170.9-31.336.4000115.5V260 H262 S283P258-V260 PolarHBondContact O-N 3.48Å; P258-H262 WeakPolarHBondContact O-CB 3.39Å; P258-H262 PolarHBondContact O-CD2 3.35Å; P258-H262 PolarHBondContact O-N 2.95Å; P258-H262 VanDerWaalsContact O-N 3.11Å; P258-S283 WeakPolarHBondContact CG-OG 3.37Å
259I77.6Confident79.7Confident40 Ų4045 Ų4521%0.20526%0.255CS..Hα-helixtrans-64.7-30.4178.4-158.1166.4000112.2F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 3.85Å; F30-I259 HydrophobicContact CZ-CG2 3.79Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 4.02Å; I257-I259 PolarHBondContact O-N 3.38Å; I257-I259 VanDerWaalsContact O-N 3.07Å; I259-S263 WeakPolarHBondContact CG1-OG 3.45Å; I259-S263 PolarHBondContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 3.17Å; I259-W264 PolarHBondContact O-N 2.75Å
260V79.8Confident79.3Confident7 Ų748.8 Ų48.84%0.04227%0.272CS..Iπ-helixtrans-75.1-45.7-173.6-1780000111T254 Y255 I257 P258 W264 L265T254-V260 HydrophobicContact CG2-CG2 4.17Å; T254-V260 WeakPolarHBondContact O-CG2 3.31Å; Y255-V260 HydrophobicContact CD2-CG1 4.17Å; I257-V260 HydrophobicContact CB-CG2 4.04Å; I257-V260 WeakPolarHBondContact O-CB 3.29Å; I257-V260 PolarHBondContact O-N 2.92Å; P258-V260 PolarHBondContact O-N 3.48Å; V260-W264 HydrophobicContact CB-CE3 4.42Å; V260-W264 HydrophobicContact CG1-CE3 4.29Å; V260-W264 HydrophobicContact CG2-CE3 3.84Å; V260-W264 HydrophobicContact CG2-CZ3 4Å; V260-W264 CarbonylContact O-C 3.58Å; V260-W264 WeakPolarHBondContact O-CB 3.18Å; V260-W264 PolarHBondContact O-N 2.97Å; V260-L265 HydrophobicContact CG1-CD1 4.5Å; V260-L265 PolarHBondContact O-N 3.07Å
261H78.3Confident79Confident8 Ų850.4 Ų50.44%0.03728%0.28CS..Iπ-helixtrans-85.3-23.6179.159.3-107.5000114.3Y255 P266 V279 D282Y255-H261 HydrophobicContact CD2-CB 4.5Å; Y255-H261 HydrophobicContact CE1-CB 4.4Å; Y255-H261 HydrophobicContact CE2-CB 3.95Å; Y255-H261 PolarHBondContact O-ND1 2.9Å; H261-P266 WeakPolarHBondContact O-CA 3.5Å; H261-V279 HydrophobicContact CB-CG2 3.84Å; H261-D282 IonicContact NE2-OD1 2.73Å
262H74.2Confident78.4Confident107 Ų10747.5 Ų47.550%0.49526%0.263SS..Iπ-helixtrans-84.5-34174.6-78-78.9000114P258 D282P258-H262 WeakPolarHBondContact O-CB 3.39Å; P258-H262 PolarHBondContact O-CD2 3.35Å; P258-H262 PolarHBondContact O-N 2.95Å; P258-H262 VanDerWaalsContact O-N 3.11Å; H262-D282 IonicContact CD2-OD1 2.79Å; H262-D282 IonicContact CE1-OD1 3.67Å; H262-D282 IonicContact NE2-OD1 3.2Å; H262-D282 PolarHBondContact NE2-OD1 3.25Å; H262-D282 IonicContact NE2-OD2 3.76Å
263S76.3Confident77.9Confident75 Ų7550.1 Ų50.152%0.52427%0.272SS..Iπ-helixtrans-123.1-19.2-174.8770000116.9I259I259-S263 WeakPolarHBondContact CG1-OG 3.45Å; I259-S263 PolarHBondContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 3.17Å
264W80.7Confident77.7Confident153 Ų15351 Ų5158%0.5828%0.277SS*.Iπ-helixtrans-103.7-40.7-179.8-60.2-5.7000113.6F30 I259 V260F30-W264 HydrophobicContact CZ-CH2 4.11Å; I259-W264 PolarHBondContact O-N 2.75Å; V260-W264 HydrophobicContact CB-CE3 4.42Å; V260-W264 HydrophobicContact CG1-CE3 4.29Å; V260-W264 HydrophobicContact CG2-CE3 3.84Å; V260-W264 HydrophobicContact CG2-CZ3 4Å; V260-W264 CarbonylContact O-C 3.58Å; V260-W264 WeakPolarHBondContact O-CB 3.18Å; V260-W264 PolarHBondContact O-N 2.97Å
265L77.6Confident77.6Confident54 Ų5453.5 Ų53.528%0.28329%0.286SS..SBendtrans-141.579.3-172.9-77.7161.5000111.4Y255 V260 L271 P272Y255-L265 HydrophobicContact CD2-CB 4.48Å; Y255-L265 HydrophobicContact CE2-CB 3.85Å; Y255-L265 WeakPolarHBondContact CE2-O 3.41Å; Y255-L265 PolarHBondContact OH-O 3.35Å; V260-L265 HydrophobicContact CG1-CD1 4.5Å; V260-L265 PolarHBondContact O-N 3.07Å; L265-L271 HydrophobicContact CD2-CB 4.24Å; L265-L271 HydrophobicContact CD2-CD1 4.4Å; L265-P272 HydrophobicContact CB-CG 4.37Å
266P74.9Confident77Confident70 Ų7053.4 Ų53.446%0.45529%0.287SS..  trans-59.3141.8-176.2-23.534.2000113.5H261 G268 S269H261-P266 WeakPolarHBondContact O-CA 3.5Å; P266-G268 VanDerWaalsContact C-N 3.28Å; P266-G268 PolarHBondContact O-N 3.27Å; P266-S269 WeakPolarHBondContact O-CB 3.36Å; P266-S269 PolarHBondContact O-N 3.5Å; P266-S269 PolarHBondContact O-OG 3.13Å
267T67.1Low76.7Confident94 Ų9453.5 Ų53.558%0.57729%0.287SS*.THydrogen-bonded Turntrans-55.2-34.4-175.150.40000114.8S269 V279T267-S269 VanDerWaalsContact C-N 3.34Å; T267-S269 PolarHBondContact O-N 2.8Å; T267-V279 HydrophobicContact CG2-CG2 3.69Å
268G66.3Low76.4Confident57 Ų5755.7 Ų55.759%0.58830%0.301SS*.THydrogen-bonded Turntrans-77.2-11.8178.200000115.4P266 R273P266-G268 VanDerWaalsContact C-N 3.28Å; P266-G268 PolarHBondContact O-N 3.27Å; G268-R273 PolarHBondContact O-NH2 3Å
269S73.6Confident76.3Confident39 Ų3956.4 Ų56.427%0.27331%0.305SS..SBendtrans-73.3155.2-175.365.60000112.9P266 T267 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.36Å; P266-S269 PolarHBondContact O-N 3.5Å; P266-S269 PolarHBondContact O-OG 3.13Å; T267-S269 VanDerWaalsContact C-N 3.34Å; T267-S269 PolarHBondContact O-N 2.8Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 3.34Å; S269-P272 WeakPolarHBondContact O-CD 3.32Å; S269-P272 WeakPolarHBondContact OG-CD 3.39Å
270F78.7Confident76.1Confident101 Ų10156.1 Ų56.144%0.44330%0.304SS..Hα-helixtrans-62.2-35.7-178171.8-107000113.2R273 L274F270-R273 PolarHBondContact O-N 2.94Å; F270-L274 HydrophobicContact CE1-CB 4.46Å; F270-L274 HydrophobicContact CE1-CD2 3.75Å; F270-L274 HydrophobicContact CZ-CB 4.33Å; F270-L274 HydrophobicContact CZ-CD1 4.24Å; F270-L274 HydrophobicContact CZ-CD2 3.88Å; F270-L274 HydrophobicContact CZ-CG 4.38Å; F270-L274 WeakPolarHBondContact O-CB 3.43Å; F270-L274 PolarHBondContact O-N 2.79Å
271L80.8Confident75.6Confident89 Ų8957.2 Ų57.247%0.46631%0.308SS..Hα-helixtrans-61.3-53-176.1-83.6163.4000113.1L265 S269 R273 L274 F275L265-L271 HydrophobicContact CD2-CB 4.24Å; L265-L271 HydrophobicContact CD2-CD1 4.4Å; S269-L271 VanDerWaalsContact C-N 3.32Å; S269-L271 PolarHBondContact O-N 3.34Å; L271-R273 PolarHBondContact O-N 3.22Å; L271-L274 PolarHBondContact O-N 3.38Å; L271-F275 HydrophobicContact CD2-CD2 4.11Å; L271-F275 HydrophobicContact CD2-CE2 3.75Å; L271-F275 WeakPolarHBondContact O-CD2 3.26Å; L271-F275 PolarHBondContact O-N 3.3Å
272P75.7Confident75Confident2 Ų258.4 Ų58.41%0.01332%0.315CS..Hα-helixtrans-55.4-43.9172.9-30.337.4000114.3Y255 L265 S269 G276 L277Y255-P272 HydrophobicContact CE2-CG 4.3Å; L265-P272 HydrophobicContact CB-CG 4.37Å; S269-P272 WeakPolarHBondContact O-CD 3.32Å; S269-P272 WeakPolarHBondContact OG-CD 3.39Å; P272-G276 CarbonylContact O-C 3.42Å; P272-G276 PolarHBondContact O-N 3.43Å; P272-L277 HydrophobicContact CB-CB 4.17Å; P272-L277 PolarHBondContact O-N 2.66Å
273R74.2Confident74.6Confident66 Ų6653.5 Ų53.525%0.24929%0.293CS..Hα-helixtrans-63.3-50.2179.3-71.9-172.4-78.9122.4-3.4111.7G268 F270 L271 F275 G276 E496G268-R273 PolarHBondContact O-NH2 3Å; F270-R273 PolarHBondContact O-N 2.94Å; L271-R273 PolarHBondContact O-N 3.22Å; R273-F275 PolarHBondContact O-N 3.2Å; R273-G276 PolarHBondContact O-N 3.5Å; R273-G276 VanDerWaalsContact O-N 3.11Å; R273-E496 IonicContact CZ-OE1 2.72Å; R273-E496 IonicContact CZ-OE2 2.69Å; R273-E496 VanDerWaalsContact NH1-CD 3.27Å; R273-E496 IonicContact NH1-OE1 3.36Å; R273-E496 PolarHBondContact NH1-OE1 2.96Å; R273-E496 IonicContact NH1-OE2 3.57Å; R273-E496 PolarHBondContact NH1-OE2 3.43Å; R273-E496 IonicContact NH2-OE1 3.16Å; R273-E496 PolarHBondContact NH2-OE1 3.35Å
274L82.4Confident73.9Confident39 Ų3953 Ų5320%0.20429%0.289CS..Hα-helixtrans-58.2-46.1177-177.769.2000113L207 F270 L271 G276L207-L274 HydrophobicContact CB-CD1 4.29Å; L207-L274 HydrophobicContact CB-CG 4.14Å; L207-L274 VanDerWaalsContact CB-O 3.24Å; L207-L274 WeakPolarHBondContact CB-O 3.22Å; L207-L274 HydrophobicContact CD2-CD1 4.37Å; L207-L274 HydrophobicContact CD2-CD2 3.89Å; L207-L274 HydrophobicContact CD2-CG 3.91Å; L207-L274 PolarHBondContact N-O 3.1Å; F270-L274 HydrophobicContact CE1-CB 4.46Å; F270-L274 HydrophobicContact CE1-CD2 3.75Å; F270-L274 HydrophobicContact CZ-CB 4.33Å; F270-L274 HydrophobicContact CZ-CD1 4.24Å; F270-L274 HydrophobicContact CZ-CD2 3.88Å; F270-L274 HydrophobicContact CZ-CG 4.38Å; F270-L274 WeakPolarHBondContact O-CB 3.43Å; F270-L274 PolarHBondContact O-N 2.79Å; L271-L274 PolarHBondContact O-N 3.38Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 3.43Å
275F82.6Confident73.2Confident86 Ų8648.5 Ų48.538%0.37728%0.281SS..Hα-helixtrans-80-3.9179.2-77.7-70.8000113.9L207 S208 L271 R273 L277L207-F275 HydrophobicContact CD2-CD1 4.38Å; L207-F275 HydrophobicContact CD2-CE1 3.92Å; L207-F275 HydrophobicContact CD2-CZ 4.19Å; S208-F275 PolarHBondContact OG-O 2.9Å; L271-F275 HydrophobicContact CD2-CD2 4.11Å; L271-F275 HydrophobicContact CD2-CE2 3.75Å; L271-F275 WeakPolarHBondContact O-CD2 3.26Å; L271-F275 PolarHBondContact O-N 3.3Å; R273-F275 PolarHBondContact O-N 3.2Å; F275-L277 VanDerWaalsContact C-N 3.29Å; F275-L277 HydrophobicContact CB-CD1 4.25Å; F275-L277 HydrophobicContact CB-CG 3.91Å; F275-L277 PolarHBondContact O-N 3.34Å
276G75.1Confident72.4Confident3 Ų350.9 Ų50.93%0.03130%0.299CS..THydrogen-bonded Turntrans70.519.7-178.600000114.5K204 P272 R273 L274 T278K204-G276 PolarHBondContact NZ-O 3Å; P272-G276 CarbonylContact O-C 3.42Å; P272-G276 PolarHBondContact O-N 3.43Å; R273-G276 PolarHBondContact O-N 3.5Å; R273-G276 VanDerWaalsContact O-N 3.11Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 3.43Å; G276-T278 PolarHBondContact O-N 3.31Å
277L78.6Confident72Confident20 Ų2051.6 Ų51.611%0.10530%0.297CS..  trans-74.6116178.8-54.8177.9000109.6V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD2 3.77Å; L252-L277 HydrophobicContact CD2-CD2 4.16Å; Y255-L277 HydrophobicContact CD1-CB 3.8Å; Y255-L277 HydrophobicContact CD2-CB 4.31Å; Y255-L277 HydrophobicContact CD2-CD1 4.21Å; Y255-L277 HydrophobicContact CE1-CB 3.9Å; Y255-L277 HydrophobicContact CE2-CB 4.42Å; Y255-L277 HydrophobicContact CG-CB 4.02Å; Y255-L277 HydrophobicContact CG-CD1 4.48Å; P272-L277 HydrophobicContact CB-CB 4.17Å; P272-L277 PolarHBondContact O-N 2.66Å; F275-L277 VanDerWaalsContact C-N 3.29Å; F275-L277 HydrophobicContact CB-CD1 4.25Å; F275-L277 HydrophobicContact CB-CG 3.91Å; F275-L277 PolarHBondContact O-N 3.34Å
278T74.4Confident71.9Confident45 Ų4548.1 Ų48.128%0.27627%0.273SS..  trans-124.5139.8177.836.80000111.2K204 Q256 G276 L309K204-T278 PolarHBondContact NZ-OG1 3.35Å; Q256-T278 PolarHBondContact NE2-O 3.5Å; G276-T278 PolarHBondContact O-N 3.31Å; T278-L309 HydrophobicContact CG2-CD2 3.86Å
279V74.1Confident71.9Confident29 Ų2948.5 Ų48.518%0.17626%0.257CS..  trans-72.3129.1172.9-179.50000108.1Y255 H261 T267 M281Y255-V279 HydrophobicContact CD1-CG2 4.36Å; Y255-V279 HydrophobicContact CE1-CG2 3.67Å; H261-V279 HydrophobicContact CB-CG2 3.84Å; T267-V279 HydrophobicContact CG2-CG2 3.69Å; V279-M281 VanDerWaalsContact CG1-O 3.22Å; V279-M281 WeakPolarHBondContact CG1-O 3.46Å
280L72Confident71.5Confident35 Ų3550.1 Ų50.118%0.18326%0.259CS..SBendtrans-109.3-18.5177.7-62.3166.8000111.7F293 Y310 P313L280-F293 WeakPolarHBondContact O-CA 3.47Å; L280-F293 WeakPolarHBondContact O-CD1 3.4Å; L280-Y310 HydrophobicContact CD2-CD1 3.9Å; L280-Y310 HydrophobicContact CD2-CE1 4.2Å; L280-P313 HydrophobicContact CD1-CG 4.09Å
281M70.1Confident70.6Confident29 Ų2947 Ų4714%0.14325%0.245CC..  trans-144.8131.3-179-69.1176.6157.200109P28 V279 F293P28-M281 HydrophobicContact CG-SD 4.13Å; V279-M281 VanDerWaalsContact CG1-O 3.22Å; V279-M281 WeakPolarHBondContact CG1-O 3.46Å; M281-F293 HydrophobicContact CE-CD1 4.36Å; M281-F293 HydrophobicContact CE-CE1 3.48Å; M281-F293 VanDerWaalsContact CE-CE1 3.48Å; M281-F293 HydrophobicContact CE-CZ 3.59Å; M281-F293 HydrophobicContact CG-CD1 4.16Å; M281-F293 HydrophobicContact CG-CE1 4.16Å
282D66.2Low69.8Low34 Ų3446 Ų4618%0.18224%0.244CC..  trans-118.5162.6171.9-160.3-6.5000110.5H261 H262 P292 V294H261-D282 IonicContact NE2-OD1 2.73Å; H262-D282 IonicContact CD2-OD1 2.79Å; H262-D282 IonicContact CE1-OD1 3.67Å; H262-D282 IonicContact NE2-OD1 3.2Å; H262-D282 PolarHBondContact NE2-OD1 3.25Å; H262-D282 IonicContact NE2-OD2 3.76Å; D282-P292 PolarHBondContact N-O 2.92Å; D282-V294 HydrophobicContact CB-CB 4.39Å; D282-V294 HydrophobicContact CB-CG2 3.55Å
283S64.4Low69.1Low3 Ų352.3 Ų52.32%0.02127%0.272CS..  trans-149.866.2176.955.60000111.4R104 P258R104-S283 VanDerWaalsContact CZ-O 3.28Å; R104-S283 PolarHBondContact NH1-O 2.93Å; R104-S283 PolarHBondContact NH2-O 3.35Å; P258-S283 WeakPolarHBondContact CG-OG 3.37Å
284S61.7Low68.2Low64 Ų6451.3 Ų51.345%0.44827%0.272SS..  trans-77.4145.617551.40000112.8E287S284-E287 CarbonylContact O-C 3.52Å; S284-E287 PolarHBondContact O-N 3.01Å
285C66Low66.7Low60 Ų6052.2 Ų52.241%0.40529%0.285SS..SBendtrans-68.1145.9161.4-77.20000109.2C95C95-C285 HydrophobicContact CB-CB 3.91Å; C95-C285 WeakPolarHBondContact CB-SG 3.36Å; C95-C285 WeakPolarHBondContact SG-CB 3.38Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.22Å
286P62.2Low64.9Low104 Ų10453.1 Ų53.168%0.67530%0.3SS*.SBendcis-81.2-21.813.131.5-36000115.3W288 W289P286-W288 VanDerWaalsContact C-N 3.28Å; P286-W288 PolarHBondContact O-N 3.29Å; P286-W289 VanDerWaalsContact O-CZ3 3.23Å; P286-W289 WeakPolarHBondContact O-CZ3 3.24Å
287E65.8Low63.7Low84 Ų8459.1 Ų59.139%0.39333%0.331SS..  trans-86.646.9-169.8-56.1-150.8118.400113.9S284 W289 K290S284-E287 CarbonylContact O-C 3.52Å; S284-E287 PolarHBondContact O-N 3.01Å; E287-W289 PolarHBondContact O-N 2.84Å; E287-K290 HydrophobicContact CB-CB 4.21Å; E287-K290 HydrophobicContact CB-CD 3.95Å; E287-K290 HydrophobicContact CG-CD 4.27Å; E287-K290 PolarHBondContact O-N 3.03Å; E287-K290 IonicContact OE1-NZ 3.57Å; E287-K290 PolarHBondContact OE1-NZ 3.14Å; E287-K290 WeakPolarHBondContact OE2-CD 3.2Å; E287-K290 IonicContact OE2-NZ 2.68Å; E287-K290 PolarHBondContact OE2-NZ 3.07Å
288W64.9Low62.3Low21 Ų2164.4 Ų64.48%0.0835%0.354CS..THydrogen-bonded Turntrans-60.9-12.1-170.663.3-94.9000116.1I94 V109 R110 H112 P286I94-W288 HydrophobicContact CD1-CH2 4.42Å; I94-W288 HydrophobicContact CD1-CZ2 3.61Å; I94-W288 HydrophobicContact CG2-CD2 4.31Å; I94-W288 HydrophobicContact CG2-CG 4.47Å; I94-W288 HydrophobicContact CG2-CZ2 4.48Å; V109-W288 HydrophobicContact CG1-CZ3 4.09Å; R110-W288 HydrophobicContact CB-CH2 4.27Å; R110-W288 WeakPolarHBondContact O-CH2 3.39Å; R110-W288 WeakPolarHBondContact O-CZ3 3.45Å; H112-W288 HydrophobicContact CB-CH2 4.09Å; H112-W288 AromaticContact CD2-CZ2 3.85Å; P286-W288 VanDerWaalsContact C-N 3.28Å; P286-W288 PolarHBondContact O-N 3.29Å
289W66.8Low61.1Low65 Ų6568.2 Ų68.225%0.24637%0.373CS..THydrogen-bonded Turntrans-92.7-15.6175.260.385.9000113.6H112 P286 E287H112-W289 HydrophobicContact CB-CB 4.41Å; H112-W289 AromaticContact NE2-CE3 4Å; P286-W289 VanDerWaalsContact O-CZ3 3.23Å; P286-W289 WeakPolarHBondContact O-CZ3 3.24Å; E287-W289 PolarHBondContact O-N 2.84Å
290K64.8Low60.1Low73 Ų7373.7 Ų73.732%0.31740%0.401SS..  trans-87.7135.8171.9-84.1163.5161-175.40108.9E118 E287 P292E118-K290 WeakPolarHBondContact OE2-CG 2.98Å; E287-K290 HydrophobicContact CB-CB 4.21Å; E287-K290 HydrophobicContact CB-CD 3.95Å; E287-K290 HydrophobicContact CG-CD 4.27Å; E287-K290 PolarHBondContact O-N 3.03Å; E287-K290 IonicContact OE1-NZ 3.57Å; E287-K290 PolarHBondContact OE1-NZ 3.14Å; E287-K290 WeakPolarHBondContact OE2-CD 3.2Å; E287-K290 IonicContact OE2-NZ 2.68Å; E287-K290 PolarHBondContact OE2-NZ 3.07Å; K290-P292 VanDerWaalsContact C-CD 3.47Å; K290-P292 WeakPolarHBondContact O-CD 3.28Å
291F60.4Low59.2Low35 Ų3577.8 Ų77.815%0.15442%0.423CS..  trans-120.378.6171.7-69.7-96.9000107.7
292P62.3Low58.5Low68 Ų6878.8 Ų78.844%0.44243%0.429SS..  trans-63.3141.7173.926.1-32.9000110.4D282 K290 V294D282-P292 PolarHBondContact N-O 2.92Å; K290-P292 VanDerWaalsContact C-CD 3.47Å; K290-P292 WeakPolarHBondContact O-CD 3.28Å; P292-V294 HydrophobicContact CB-CG2 4.07Å; P292-V294 HydrophobicContact CG-CG2 3.76Å; P292-V294 PolarHBondContact O-N 3.03Å; P292-V294 VanDerWaalsContact O-N 3.16Å
293F62Low57.9Low136 Ų13682.5 Ų82.560%0.59645%0.448SS*.  trans-76.694.8164.3-70.5-84.4000107.5L280 M281 A295L280-F293 WeakPolarHBondContact O-CA 3.47Å; L280-F293 WeakPolarHBondContact O-CD1 3.4Å; M281-F293 HydrophobicContact CE-CD1 4.36Å; M281-F293 HydrophobicContact CE-CE1 3.48Å; M281-F293 VanDerWaalsContact CE-CE1 3.48Å; M281-F293 HydrophobicContact CE-CZ 3.59Å; M281-F293 HydrophobicContact CG-CD1 4.16Å; M281-F293 HydrophobicContact CG-CE1 4.16Å; F293-A295 PolarHBondContact O-N 2.92Å
294V54.8Low57.6Low44 Ų4488.5 Ų88.527%0.26748%0.479SS..SBendtrans-77.3122.9-162.3170.90000114D282 P292 P296D282-V294 HydrophobicContact CB-CB 4.39Å; D282-V294 HydrophobicContact CB-CG2 3.55Å; P292-V294 HydrophobicContact CB-CG2 4.07Å; P292-V294 HydrophobicContact CG-CG2 3.76Å; P292-V294 PolarHBondContact O-N 3.03Å; P292-V294 VanDerWaalsContact O-N 3.16Å; V294-P296 HydrophobicContact CG1-CG 3.84Å
295A51.7Low57.4Low58 Ų5889.1 Ų89.148%0.47948%0.475SS..  -143.9115.412600000106.8F293 D297F293-A295 PolarHBondContact O-N 2.92Å; A295-D297 PolarHBondContact O-N 3.28Å
296P45Very low57.4Low105 Ų10589.2 Ų89.268%0.68247%0.469SS*.  trans-84.2-8.5-160.1-5.121.8000116.5V294V294-P296 HydrophobicContact CG1-CG 3.84Å
297D49.3Very low58Low129 Ų12989.2 Ų89.269%0.6946%0.456SS*.SBendtrans-125.714.5-154.4-55.3-56.3000116.3A295A295-D297 PolarHBondContact O-N 3.28Å
298F49.5Very low58.5Low131 Ų13185.3 Ų85.358%0.57544%0.437SS*.  trans-135.4148.5-169.3-68.8-85.2000114.6D302F298-D302 HydrophobicContact CB-CB 4.03Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.06Å
299N49.3Very low58.9Low126 Ų12686.2 Ų86.267%0.67444%0.444SS*.  trans-65.7158.7-178.5-83.5-13.2000112.6D301 D302N299-D301 PolarHBondContact O-N 3.38Å; N299-D301 VanDerWaalsContact O-N 3.12Å; N299-D302 WeakPolarHBondContact O-CB 3.1Å; N299-D302 PolarHBondContact O-N 2.98Å
300D52.8Low59.4Low143 Ų14387.2 Ų87.277%0.76545%0.448SS*.Hα-helixtrans-56.4-29.7179.7-75.4-43.5000113.8D302 L303D300-D302 VanDerWaalsContact C-N 3.3Å; D300-D302 PolarHBondContact O-N 3.23Å; D300-L303 WeakPolarHBondContact O-CB 3.29Å; D300-L303 PolarHBondContact O-N 3.39Å
301D53.6Low60.1Low122 Ų12284.5 Ų84.565%0.65244%0.439SS*.Hα-helixtrans-63.6-32.7175.8-64.2-40.6000112.9N299 L303 I304N299-D301 PolarHBondContact O-N 3.38Å; N299-D301 VanDerWaalsContact O-N 3.12Å; D301-L303 VanDerWaalsContact C-N 3.25Å; D301-L303 PolarHBondContact O-N 2.9Å; D301-I304 PolarHBondContact O-N 3.44Å
302D54.3Low61.3Low49 Ų4983 Ų8326%0.26243%0.433SS..Hα-helixtrans-73.3-17.8177.6-74-45.2000112.7F298 N299 D300 I304 M305 K306F298-D302 HydrophobicContact CB-CB 4.03Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.06Å; N299-D302 WeakPolarHBondContact O-CB 3.1Å; N299-D302 PolarHBondContact O-N 2.98Å; D300-D302 VanDerWaalsContact C-N 3.3Å; D300-D302 PolarHBondContact O-N 3.23Å; D302-I304 VanDerWaalsContact C-N 3.26Å; D302-I304 PolarHBondContact O-N 2.99Å; D302-M305 PolarHBondContact O-N 2.85Å; D302-K306 PolarHBondContact O-N 3.38Å
303L53.6Low62.2Low112 Ų11280.9 Ų80.959%0.58642%0.419SS*.Hα-helixtrans-63.1-37177.7-154.984000110.9D300 D301 M305 K306D300-L303 WeakPolarHBondContact O-CB 3.29Å; D300-L303 PolarHBondContact O-N 3.39Å; D301-L303 VanDerWaalsContact C-N 3.25Å; D301-L303 PolarHBondContact O-N 2.9Å; L303-M305 VanDerWaalsContact C-N 3.3Å; L303-M305 PolarHBondContact O-N 3.19Å; L303-K306 PolarHBondContact O-N 2.95Å
304I57.9Low63.2Low129 Ų12979.6 Ų79.666%0.66242%0.417SS*.Hα-helixtrans-67-33.4173.9-57.6178.4000110.4D301 D302 K306 W307D301-I304 PolarHBondContact O-N 3.44Å; D302-I304 VanDerWaalsContact C-N 3.26Å; D302-I304 PolarHBondContact O-N 2.99Å; I304-K306 VanDerWaalsContact C-N 3.27Å; I304-K306 PolarHBondContact O-N 3.5Å; I304-W307 VanDerWaalsContact O-CD1 3.31Å
305M58.8Low64.7Low78 Ų7878.1 Ų78.138%0.38441%0.408SS..Hα-helixtrans-77.2-8.1-178.7-55.8-143.5-166.100114.4D302 L303 L513 V515D302-M305 PolarHBondContact O-N 2.85Å; L303-M305 VanDerWaalsContact C-N 3.3Å; L303-M305 PolarHBondContact O-N 3.19Å; M305-L513 HydrophobicContact CB-CD2 4.29Å; M305-L513 HydrophobicContact SD-CD2 3.79Å; M305-V515 WeakPolarHBondContact O-CG2 3.45Å
306K65.5Low66.4Low62 Ų6275.3 Ų75.327%0.2739%0.385SS..THydrogen-bonded Turntrans-117.55.6-175.8-73.1174.6-174.3164.70115D302 L303 I304 P308 L309D302-K306 PolarHBondContact O-N 3.38Å; L303-K306 PolarHBondContact O-N 2.95Å; I304-K306 VanDerWaalsContact C-N 3.27Å; I304-K306 PolarHBondContact O-N 3.5Å; K306-P308 VanDerWaalsContact C-N 3.33Å; K306-P308 WeakPolarHBondContact O-CD 3.46Å; K306-P308 VanDerWaalsContact O-N 3.1Å; K306-L309 HydrophobicContact CB-CD1 3.85Å; K306-L309 HydrophobicContact CG-CD1 4.07Å; K306-L309 WeakPolarHBondContact O-CB 3.44Å; K306-L309 PolarHBondContact O-N 3.01Å
307W74.8Confident68.4Low104 Ų10472 Ų7239%0.39436%0.362SS..Hα-helixtrans-49.7-33.517979.7-99.8000117.1I304 L309 Y310 A311I304-W307 VanDerWaalsContact O-CD1 3.31Å; W307-L309 PolarHBondContact O-N 3.07Å; W307-L309 VanDerWaalsContact O-N 3.16Å; W307-Y310 PolarHBondContact O-N 2.97Å; W307-A311 HydrophobicContact CE3-CB 3.8Å; W307-A311 HydrophobicContact CZ3-CB 3.74Å; W307-A311 PolarHBondContact O-N 3.13Å
308P75.7Confident70Confident1 Ų168.7 Ų68.71%0.00635%0.346CS..Hα-helixtrans-64.8-22.9-176.8-20.132.4000113.7V203 K306 A311 N312 V515 V518V203-P308 WeakPolarHBondContact O-CB 3.27Å; K306-P308 VanDerWaalsContact C-N 3.33Å; K306-P308 WeakPolarHBondContact O-CD 3.46Å; K306-P308 VanDerWaalsContact O-N 3.1Å; P308-A311 PolarHBondContact O-N 3.16Å; P308-N312 PolarHBondContact O-N 3.38Å; P308-V515 HydrophobicContact CG-CG2 3.74Å; P308-V518 HydrophobicContact CB-CG2 4.38Å; P308-V518 HydrophobicContact CG-CG2 4.31Å
309L74.2Confident71.9Confident41 Ų4162.5 Ų62.522%0.21532%0.319CS..Hα-helixtrans-64-43.3176-72.7147.3000112.1K204 T278 K306 W307 P514K204-L309 HydrophobicContact CD-CD2 4.35Å; T278-L309 HydrophobicContact CG2-CD2 3.86Å; K306-L309 HydrophobicContact CB-CD1 3.85Å; K306-L309 HydrophobicContact CG-CD1 4.07Å; K306-L309 WeakPolarHBondContact O-CB 3.44Å; K306-L309 PolarHBondContact O-N 3.01Å; W307-L309 PolarHBondContact O-N 3.07Å; W307-L309 VanDerWaalsContact O-N 3.16Å; L309-P514 HydrophobicContact CD1-CG 4.44Å
310Y76.2Confident73.8Confident85 Ų8557 Ų5733%0.33329%0.289SS..Hα-helixtrans-76.6-31.6177.2-57.1-77.8000112.4L280 W307 P313L280-Y310 HydrophobicContact CD2-CD1 3.9Å; L280-Y310 HydrophobicContact CD2-CE1 4.2Å; W307-Y310 PolarHBondContact O-N 2.97Å; Y310-P313 WeakPolarHBondContact O-CD 3.46Å
311A80.5Confident75.3Confident17 Ų1753.5 Ų53.514%0.1427%0.265CS..Hα-helixtrans-69.9-35.7-179.500000113.3V203 W307 P308 I314 V315V203-A311 HydrophobicContact CG1-CB 4.37Å; W307-A311 HydrophobicContact CE3-CB 3.8Å; W307-A311 HydrophobicContact CZ3-CB 3.74Å; W307-A311 PolarHBondContact O-N 3.13Å; P308-A311 PolarHBondContact O-N 3.16Å; A311-I314 WeakPolarHBondContact O-CB 3.32Å; A311-I314 PolarHBondContact O-N 3.5Å; A311-I314 VanDerWaalsContact O-N 3.07Å; A311-V315 HydrophobicContact CB-CG2 4.49Å; A311-V315 WeakPolarHBondContact O-CG2 3.43Å; A311-V315 PolarHBondContact O-N 3.11Å
312N84.9Confident76.6Confident3 Ų351 Ų512%0.01625%0.252CS..Hα-helixtrans-48.1-56.2-175.2-171.543.9000114.7V203 K204 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.23Å; K204-N312 HydrophobicContact CB-CB 4.46Å; N209-N312 PolarHBondContact ND2-OD1 3.19Å; P308-N312 PolarHBondContact O-N 3.38Å; N312-I314 VanDerWaalsContact C-N 3.29Å; N312-I314 PolarHBondContact O-N 3.02Å; N312-V315 PolarHBondContact O-N 3.31Å; N312-V316 WeakPolarHBondContact O-CG2 3.36Å; N312-V316 PolarHBondContact O-N 2.69Å
313P81.1Confident78.1Confident24 Ų2448.7 Ų48.716%0.15624%0.239CC..Hα-helixtrans-62.7-31.6179.425.2-35.9000113.8L252 L280 Y310 L317L252-P313 HydrophobicContact CD1-CB 4.43Å; L280-P313 HydrophobicContact CD1-CG 4.09Å; Y310-P313 WeakPolarHBondContact O-CD 3.46Å; P313-L317 WeakPolarHBondContact O-CB 3.38Å; P313-L317 PolarHBondContact O-N 3.41Å; P313-L317 VanDerWaalsContact O-N 3.15Å
314I84.2Confident79.5Confident109 Ų10943.9 Ų43.956%0.55922%0.215SC*.Hα-helixtrans-71.8-43.9177.9-59.9170000110.2A311 N312 L317 V318A311-I314 WeakPolarHBondContact O-CB 3.32Å; A311-I314 PolarHBondContact O-N 3.5Å; A311-I314 VanDerWaalsContact O-N 3.07Å; N312-I314 VanDerWaalsContact C-N 3.29Å; N312-I314 PolarHBondContact O-N 3.02Å; I314-L317 PolarHBondContact O-N 3.14Å; I314-V318 HydrophobicContact CG2-CG2 4.48Å; I314-V318 WeakPolarHBondContact O-CG2 3.42Å; I314-V318 PolarHBondContact O-N 2.76Å
315V85.7Confident80.3Confident12 Ų1239.6 Ų39.67%0.07320%0.198CC..Hα-helixtrans-64.3-41.2179.4171.10000111.1F196 Y199 V200 A311 N312 V318 F319F196-V315 HydrophobicContact CE1-CG1 4.12Å; F196-V315 HydrophobicContact CZ-CG1 4.43Å; Y199-V315 HydrophobicContact CD1-CG1 3.93Å; Y199-V315 HydrophobicContact CD1-CG2 4.44Å; Y199-V315 HydrophobicContact CE1-CG1 4.04Å; Y199-V315 HydrophobicContact CE1-CG2 3.71Å; V200-V315 HydrophobicContact CB-CG1 4.19Å; V200-V315 HydrophobicContact CG1-CG1 4.42Å; V200-V315 HydrophobicContact CG2-CG1 3.57Å; A311-V315 HydrophobicContact CB-CG2 4.49Å; A311-V315 WeakPolarHBondContact O-CG2 3.43Å; A311-V315 PolarHBondContact O-N 3.11Å; N312-V315 PolarHBondContact O-N 3.31Å; V315-V318 PolarHBondContact O-N 3.27Å; V315-F319 WeakPolarHBondContact O-CB 3.47Å; V315-F319 PolarHBondContact O-N 2.61Å
316V87.8Confident81.2Confident0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-62.9-42.5173.4174.70000111.6V200 H248 F249 N312 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.3Å; H248-V316 HydrophobicContact CB-CG1 4.44Å; F249-V316 HydrophobicContact CB-CG1 4.26Å; N312-V316 WeakPolarHBondContact O-CG2 3.36Å; N312-V316 PolarHBondContact O-N 2.69Å; V316-F319 PolarHBondContact O-N 2.98Å; V316-F320 PolarHBondContact O-N 3.46Å
317L85.9Confident82Confident36 Ų3636.3 Ų36.319%0.18818%0.181CC..Hα-helixtrans-63.1-47176.6-173.674.9000112L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.37Å; L21-L317 HydrophobicContact CD1-CD2 4.21Å; F249-L317 HydrophobicContact CD1-CD1 4.5Å; F249-L317 HydrophobicContact CD2-CB 4.18Å; F249-L317 HydrophobicContact CD2-CD1 4.2Å; F249-L317 HydrophobicContact CE1-CD1 4.26Å; F249-L317 HydrophobicContact CE2-CB 4.05Å; F249-L317 HydrophobicContact CE2-CD1 3.95Å; F249-L317 HydrophobicContact CE2-CG 4.42Å; F249-L317 HydrophobicContact CG-CD1 4.47Å; F249-L317 HydrophobicContact CZ-CD1 3.99Å; P313-L317 WeakPolarHBondContact O-CB 3.38Å; P313-L317 PolarHBondContact O-N 3.41Å; P313-L317 VanDerWaalsContact O-N 3.15Å; I314-L317 PolarHBondContact O-N 3.14Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.37Å; L317-F320 WeakPolarHBondContact O-CB 3.39Å; L317-F320 PolarHBondContact O-N 3.31Å; L317-Y321 HydrophobicContact CD1-CD2 4.37Å; L317-Y321 HydrophobicContact CD1-CE2 3.93Å; L317-Y321 HydrophobicContact CG-CD2 4.17Å; L317-Y321 HydrophobicContact CG-CE2 4.06Å; L317-Y321 WeakPolarHBondContact O-CD2 3.33Å; L317-Y321 PolarHBondContact O-N 3.21Å; L317-Y321 VanDerWaalsContact O-N 3.09Å
318V84.8Confident81.9Confident59 Ų5933.8 Ų33.836%0.35817%0.173SC..Hα-helixtrans-62.7-40.1177.4171.60000110.9F196 I314 V315 F320 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.43Å; F196-V318 HydrophobicContact CE1-CG1 4.07Å; F196-V318 HydrophobicContact CZ-CB 4.27Å; F196-V318 HydrophobicContact CZ-CG1 3.71Å; I314-V318 HydrophobicContact CG2-CG2 4.48Å; I314-V318 WeakPolarHBondContact O-CG2 3.42Å; I314-V318 PolarHBondContact O-N 2.76Å; V315-V318 PolarHBondContact O-N 3.27Å; V318-F320 PolarHBondContact O-N 3.21Å; V318-Y321 PolarHBondContact O-N 3.42Å; V318-L322 HydrophobicContact CG1-CD1 3.81Å; V318-L322 HydrophobicContact CG1-CG 4.2Å; V318-L322 WeakPolarHBondContact O-CB 3.44Å; V318-L322 WeakPolarHBondContact O-CG 3.34Å; V318-L322 PolarHBondContact O-N 3.19Å
319F88.7Confident81.6Confident0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-62-40.2174.4-179.3-108.5000112.5L193 F196 V200 Y212 L241 V315 V316 L317 L322 T323L193-F319 HydrophobicContact CD1-CD2 4.19Å; L193-F319 HydrophobicContact CD1-CE2 3.84Å; F196-F319 HydrophobicContact CD1-CB 4.17Å; F196-F319 HydrophobicContact CD1-CD2 4.02Å; F196-F319 HydrophobicContact CE1-CB 4.08Å; V200-F319 HydrophobicContact CG2-CB 3.98Å; V200-F319 HydrophobicContact CG2-CD2 4.09Å; V200-F319 HydrophobicContact CG2-CG 4.03Å; Y212-F319 HydrophobicContact CD1-CE1 4.01Å; Y212-F319 HydrophobicContact CD1-CZ 4.37Å; Y212-F319 HydrophobicContact CE1-CD1 4.22Å; Y212-F319 AromaticContact CE1-CE1 3.73Å; Y212-F319 HydrophobicContact CE1-CE1 3.73Å; L241-F319 HydrophobicContact CB-CE1 4.1Å; L241-F319 HydrophobicContact CB-CZ 4.18Å; L241-F319 HydrophobicContact CD1-CZ 4.22Å; L241-F319 HydrophobicContact CD2-CE1 4.37Å; L241-F319 HydrophobicContact CD2-CZ 4.31Å; L241-F319 HydrophobicContact CG-CZ 4.48Å; V315-F319 WeakPolarHBondContact O-CB 3.47Å; V315-F319 PolarHBondContact O-N 2.61Å; V316-F319 PolarHBondContact O-N 2.98Å; L317-F319 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.37Å; F319-L322 PolarHBondContact O-N 2.99Å; F319-T323 HydrophobicContact CD1-CG2 4.26Å; F319-T323 HydrophobicContact CD2-CG2 4Å; F319-T323 HydrophobicContact CE1-CG2 3.96Å; F319-T323 HydrophobicContact CE2-CG2 3.7Å; F319-T323 HydrophobicContact CG-CG2 4.3Å; F319-T323 HydrophobicContact CZ-CG2 3.69Å; F319-T323 WeakPolarHBondContact O-CB 3.34Å; F319-T323 VanDerWaalsContact O-CG2 3.29Å; F319-T323 WeakPolarHBondContact O-CG2 3.34Å; F319-T323 PolarHBondContact O-N 3.34Å; F319-T323 PolarHBondContact O-OG1 3.3Å
320F88.7Confident81.3Confident10 Ų1038.1 Ų38.14%0.04419%0.192CC..Hα-helixtrans-59.4-50.5172.5171.9-97.3000111.9L40 A43 I242 A246 V316 L317 V318 L322 T323 V324L40-F320 HydrophobicContact CB-CZ 4.49Å; L40-F320 HydrophobicContact CD2-CD1 3.9Å; L40-F320 HydrophobicContact CD2-CE1 3.53Å; L40-F320 HydrophobicContact CD2-CE2 4.44Å; L40-F320 HydrophobicContact CD2-CG 4.5Å; L40-F320 HydrophobicContact CD2-CZ 3.84Å; A43-F320 HydrophobicContact CB-CE1 3.92Å; A43-F320 HydrophobicContact CB-CZ 4.45Å; I242-F320 HydrophobicContact CG2-CD2 4.3Å; I242-F320 HydrophobicContact CG2-CE2 3.97Å; A246-F320 HydrophobicContact CB-CD2 4.1Å; A246-F320 HydrophobicContact CB-CE2 3.88Å; V316-F320 PolarHBondContact O-N 3.46Å; L317-F320 WeakPolarHBondContact O-CB 3.39Å; L317-F320 PolarHBondContact O-N 3.31Å; V318-F320 PolarHBondContact O-N 3.21Å; F320-L322 PolarHBondContact O-N 3.04Å; F320-T323 WeakPolarHBondContact CA-OG1 3.49Å; F320-T323 PolarHBondContact O-N 3.22Å; F320-T323 PolarHBondContact O-OG1 3.28Å; F320-V324 HydrophobicContact CD2-CG2 4.23Å; F320-V324 HydrophobicContact CE1-CG2 4.34Å; F320-V324 HydrophobicContact CE2-CG2 3.92Å; F320-V324 HydrophobicContact CZ-CG2 3.98Å; F320-V324 WeakPolarHBondContact O-CB 3.33Å; F320-V324 VanDerWaalsContact O-CG2 3.26Å; F320-V324 WeakPolarHBondContact O-CG2 3.26Å; F320-V324 PolarHBondContact O-N 3.45Å
321Y84Confident80.8Confident70 Ų7041.4 Ų41.428%0.27520%0.204SC..Hα-helixtrans-64.2-41.1178.8-81.8-81.3000112.8A43 L317 V318 A325A43-Y321 HydrophobicContact CB-CD1 4.12Å; A43-Y321 HydrophobicContact CB-CE1 3.71Å; L317-Y321 HydrophobicContact CD1-CD2 4.37Å; L317-Y321 HydrophobicContact CD1-CE2 3.93Å; L317-Y321 HydrophobicContact CG-CD2 4.17Å; L317-Y321 HydrophobicContact CG-CE2 4.06Å; L317-Y321 WeakPolarHBondContact O-CD2 3.33Å; L317-Y321 PolarHBondContact O-N 3.21Å; L317-Y321 VanDerWaalsContact O-N 3.09Å; V318-Y321 PolarHBondContact O-N 3.42Å; Y321-A325 WeakPolarHBondContact O-CB 3.38Å; Y321-A325 PolarHBondContact O-N 2.84Å
322L82Confident79.8Confident70 Ų7044.7 Ų44.737%0.36622%0.219SC..Hα-helixtrans-64.9-46.1176.7-74.9175.6000112.1F196 V318 F319 F320 A325 Q326F196-L322 HydrophobicContact CD1-CD1 4.39Å; F196-L322 HydrophobicContact CE1-CD1 4.41Å; F196-L322 HydrophobicContact CG-CD1 4.47Å; V318-L322 HydrophobicContact CG1-CD1 3.81Å; V318-L322 HydrophobicContact CG1-CG 4.2Å; V318-L322 WeakPolarHBondContact O-CB 3.44Å; V318-L322 WeakPolarHBondContact O-CG 3.34Å; V318-L322 PolarHBondContact O-N 3.19Å; F319-L322 PolarHBondContact O-N 2.99Å; F320-L322 PolarHBondContact O-N 3.04Å; L322-A325 PolarHBondContact O-N 3.01Å; L322-Q326 WeakPolarHBondContact O-CB 3.45Å; L322-Q326 PolarHBondContact O-N 3.11Å
323T84.7Confident78.3Confident0 Ų045.5 Ų45.50%023%0.228CC..Hα-helixtrans-64.5-41.617850.30000111.8L193 I242 F319 F320 Q326 Y327L193-T323 HydrophobicContact CD1-CG2 3.67Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.16Å; F319-T323 HydrophobicContact CD1-CG2 4.26Å; F319-T323 HydrophobicContact CD2-CG2 4Å; F319-T323 HydrophobicContact CE1-CG2 3.96Å; F319-T323 HydrophobicContact CE2-CG2 3.7Å; F319-T323 HydrophobicContact CG-CG2 4.3Å; F319-T323 HydrophobicContact CZ-CG2 3.69Å; F319-T323 WeakPolarHBondContact O-CB 3.34Å; F319-T323 VanDerWaalsContact O-CG2 3.29Å; F319-T323 WeakPolarHBondContact O-CG2 3.34Å; F319-T323 PolarHBondContact O-N 3.34Å; F319-T323 PolarHBondContact O-OG1 3.3Å; F320-T323 WeakPolarHBondContact CA-OG1 3.49Å; F320-T323 PolarHBondContact O-N 3.22Å; F320-T323 PolarHBondContact O-OG1 3.28Å; T323-Q326 PolarHBondContact O-N 3.29Å; T323-Y327 WeakPolarHBondContact O-CB 3.42Å; T323-Y327 PolarHBondContact O-N 3.16Å
324V83Confident76.6Confident12 Ų1246.9 Ų46.97%0.07324%0.238CC..Hα-helixtrans-63.4-41.9174.5170.40000111.7A43 I242 F320 Y327 K328A43-V324 HydrophobicContact CB-CG1 4.42Å; I242-V324 HydrophobicContact CD1-CG2 4.22Å; I242-V324 HydrophobicContact CG1-CG2 4.12Å; I242-V324 HydrophobicContact CG2-CG2 3.81Å; F320-V324 HydrophobicContact CD2-CG2 4.23Å; F320-V324 HydrophobicContact CE1-CG2 4.34Å; F320-V324 HydrophobicContact CE2-CG2 3.92Å; F320-V324 HydrophobicContact CZ-CG2 3.98Å; F320-V324 WeakPolarHBondContact O-CB 3.33Å; F320-V324 VanDerWaalsContact O-CG2 3.26Å; F320-V324 WeakPolarHBondContact O-CG2 3.26Å; F320-V324 PolarHBondContact O-N 3.45Å; V324-Y327 PolarHBondContact O-N 3.37Å; V324-K328 HydrophobicContact CG1-CD 4.44Å; V324-K328 WeakPolarHBondContact O-CB 3.3Å; V324-K328 WeakPolarHBondContact O-CG 3.44Å; V324-K328 PolarHBondContact O-N 3.03Å
325A76.2Confident74.5Confident38 Ų3851.7 Ų51.731%0.31425%0.25SC..Hα-helixtrans-63.5-48175.700000111.7Y321 L322 Y327 K328 F329Y321-A325 WeakPolarHBondContact O-CB 3.38Å; Y321-A325 PolarHBondContact O-N 2.84Å; L322-A325 PolarHBondContact O-N 3.01Å; A325-Y327 PolarHBondContact O-N 3Å; A325-K328 PolarHBondContact O-N 3.41Å; A325-F329 WeakPolarHBondContact O-CD2 3.39Å; A325-F329 VanDerWaalsContact O-CG 3.27Å; A325-F329 WeakPolarHBondContact O-CG 3.17Å; A325-F329 PolarHBondContact O-N 3.11Å
326Q77.1Confident72.2Confident11 Ų1158.2 Ų58.25%0.05128%0.279CS..Hα-helixtrans-63.5-40176.8-114.5-73.8-25.300112T189 N190 L322 T323 F329 T330T189-Q326 PolarHBondContact OG1-NE2 3.15Å; N190-Q326 PolarHBondContact OD1-OE1 3.44Å; L322-Q326 WeakPolarHBondContact O-CB 3.45Å; L322-Q326 PolarHBondContact O-N 3.11Å; T323-Q326 PolarHBondContact O-N 3.29Å; Q326-F329 PolarHBondContact O-N 2.73Å; Q326-T330 PolarHBondContact O-N 2.91Å; Q326-T330 PolarHBondContact O-OG1 2.7Å
327Y81.1Confident69.9Low61 Ų6166.8 Ų66.824%0.23931%0.313CS..Hα-helixtrans-64.3-38.7174.1176.1-107000112.4I242 T323 V324 A325 T330 R331I242-Y327 HydrophobicContact CD1-CD1 4.27Å; I242-Y327 HydrophobicContact CD1-CG 3.98Å; T323-Y327 WeakPolarHBondContact O-CB 3.42Å; T323-Y327 PolarHBondContact O-N 3.16Å; V324-Y327 PolarHBondContact O-N 3.37Å; A325-Y327 PolarHBondContact O-N 3Å; Y327-T330 PolarHBondContact O-OG1 3.36Å; Y327-R331 WeakPolarHBondContact O-CB 3.4Å; Y327-R331 PolarHBondContact O-N 2.87Å
328K73.1Confident67.6Low51 Ų5170 Ų7022%0.22233%0.329CS..Hα-helixtrans-66.5-36.5171.7-78.9-178.7171.8-178.70112.2A43 V44 L45 V324 A325 N332A43-K328 PolarHBondContact O-NZ 3.31Å; V44-K328 WeakPolarHBondContact O-CE 3.28Å; V44-K328 PolarHBondContact O-NZ 2.96Å; L45-K328 PolarHBondContact O-NZ 3.25Å; V324-K328 HydrophobicContact CG1-CD 4.44Å; V324-K328 WeakPolarHBondContact O-CB 3.3Å; V324-K328 WeakPolarHBondContact O-CG 3.44Å; V324-K328 PolarHBondContact O-N 3.03Å; A325-K328 PolarHBondContact O-N 3.41Å; K328-N332 VanDerWaalsContact O-CB 3.31Å; K328-N332 WeakPolarHBondContact O-CB 3.48Å; K328-N332 PolarHBondContact O-N 3.36Å
329F70.6Confident65.3Low106 Ų10674.3 Ų74.347%0.46535%0.35SS..Hα-helixtrans-67.4-43.5174.2-63.9-25.3000112.4A325 Q326 G333A325-F329 WeakPolarHBondContact O-CD2 3.39Å; A325-F329 VanDerWaalsContact O-CG 3.27Å; A325-F329 WeakPolarHBondContact O-CG 3.17Å; A325-F329 PolarHBondContact O-N 3.11Å; Q326-F329 PolarHBondContact O-N 2.73Å; F329-G333 WeakPolarHBondContact O-CA 3.45Å; F329-G333 PolarHBondContact O-N 3.26Å
330T67.3Low62.9Low27 Ų2781 Ų8117%0.16639%0.386CS..Hα-helixtrans-71.4-34.5176.857.20000112.8N235 Q326 Y327 S334N235-T330 PolarHBondContact OD1-OG1 2.92Å; Q326-T330 PolarHBondContact O-N 2.91Å; Q326-T330 PolarHBondContact O-OG1 2.7Å; Y327-T330 PolarHBondContact O-OG1 3.36Å; T330-S334 WeakPolarHBondContact O-CB 3.38Å; T330-S334 PolarHBondContact O-N 2.93Å; T330-S334 VanDerWaalsContact O-N 3.16Å; T330-S334 PolarHBondContact O-OG 2.66Å
331R66.4Low60.1Low153 Ų15386.6 Ų86.658%0.57742%0.416SS*.Hα-helixtrans-75.3-40.5178.6179.6179.2170179.1-2.6114.1Y327 S334Y327-R331 WeakPolarHBondContact O-CB 3.4Å; Y327-R331 PolarHBondContact O-N 2.87Å; R331-S334 PolarHBondContact O-OG 3.06Å; R331-S334 VanDerWaalsContact O-OG 3.07Å
332N59.1Low57.7Low86 Ų8691 Ų9146%0.4644%0.439SS..Hα-helixtrans-78.7-39.4176.2-72-5000110.6K328 S334 R335K328-N332 VanDerWaalsContact O-CB 3.31Å; K328-N332 WeakPolarHBondContact O-CB 3.48Å; K328-N332 PolarHBondContact O-N 3.36Å; N332-S334 VanDerWaalsContact C-N 3.27Å; N332-S334 PolarHBondContact O-N 3.19Å; N332-R335 PolarHBondContact O-N 2.85Å; N332-R335 VanDerWaalsContact O-N 3.1Å
333G53Low55.2Low20 Ų2098.8 Ų98.821%0.20647%0.465CS..Hα-helixtrans-57.7-38.5176.400000112.4F329 R335 E336 Y337F329-G333 WeakPolarHBondContact O-CA 3.45Å; F329-G333 PolarHBondContact O-N 3.26Å; G333-R335 VanDerWaalsContact C-N 3.28Å; G333-R335 PolarHBondContact O-N 3.01Å; G333-E336 PolarHBondContact O-N 3.29Å; G333-Y337 WeakPolarHBondContact O-CB 3.47Å; G333-Y337 WeakPolarHBondContact O-CD2 3.49Å; G333-Y337 PolarHBondContact O-N 2.91Å
334S45.2Very low52.4Low53 Ų53102.2 Ų102.237%0.37150%0.501SS..Hα-helixtrans-63.1-30.2177.566.10000113.6T330 R331 N332 Y337 I338T330-S334 WeakPolarHBondContact O-CB 3.38Å; T330-S334 PolarHBondContact O-N 2.93Å; T330-S334 VanDerWaalsContact O-N 3.16Å; T330-S334 PolarHBondContact O-OG 2.66Å; R331-S334 PolarHBondContact O-OG 3.06Å; R331-S334 VanDerWaalsContact O-OG 3.07Å; N332-S334 VanDerWaalsContact C-N 3.27Å; N332-S334 PolarHBondContact O-N 3.19Å; S334-Y337 CarbonylContact O-C 3.52Å; S334-Y337 PolarHBondContact O-N 3.34Å; S334-I338 WeakPolarHBondContact O-CB 3.18Å; S334-I338 WeakPolarHBondContact O-CD1 3.4Å; S334-I338 WeakPolarHBondContact O-CG1 3.39Å; S334-I338 PolarHBondContact O-N 3.4Å; S334-I338 VanDerWaalsContact O-N 3.1Å
335R40.2Very low49.8Very low211 Ų211105.3 Ų105.380%0.79652%0.523SS*.Hα-helixtrans-83.6-19.1-177-160.5169.1178165.9-0.4113.8N332 G333N332-R335 PolarHBondContact O-N 2.85Å; N332-R335 VanDerWaalsContact O-N 3.1Å; G333-R335 VanDerWaalsContact C-N 3.28Å; G333-R335 PolarHBondContact O-N 3.01Å
336E37.4Very low47.6Very low149 Ų149108.7 Ų108.770%0.69655%0.545SS*.Hα-helixtrans-86.4-15.3163.7-77.6171.2161.900112.1G333G333-E336 PolarHBondContact O-N 3.29Å
337Y39.5Very low45.3Very low180 Ų180111.8 Ų111.871%0.70656%0.564SS**SBendtrans-93.90.1173.9-95.7-104.5000114.2G333 S334G333-Y337 WeakPolarHBondContact O-CB 3.47Å; G333-Y337 WeakPolarHBondContact O-CD2 3.49Å; G333-Y337 PolarHBondContact O-N 2.91Å; S334-Y337 CarbonylContact O-C 3.52Å; S334-Y337 PolarHBondContact O-N 3.34Å
338I37.8Very low42.7Very low104 Ų104115.8 Ų115.853%0.53359%0.585SS.*SBendtrans-98-16.4-175.8-84.1164.6000113.1S334S334-I338 WeakPolarHBondContact O-CB 3.18Å; S334-I338 WeakPolarHBondContact O-CD1 3.4Å; S334-I338 WeakPolarHBondContact O-CG1 3.39Å; S334-I338 PolarHBondContact O-N 3.4Å; S334-I338 VanDerWaalsContact O-N 3.1Å
339D36.9Very low40.8Very low148 Ų148121.9 Ų121.979%0.79161%0.614SS**SBendtrans-92.4-15.7169.4-81.2-34.4000113.3N341D339-N341 PolarHBondContact O-N 2.89Å; D339-N341 VanDerWaalsContact O-N 3.13Å
340D38Very low38.9Very low142 Ų142123.5 Ų123.576%0.75962%0.623SS**SBendtrans-86.558.9165.3-78.6-23.8000109.9
341N29.2Very low37.1Very low127 Ų127127.3 Ų127.368%0.67964%0.642SS**  trans-58.5138.1-173.1-108.2-38.1000113.3D339D339-N341 PolarHBondContact O-N 2.89Å; D339-N341 VanDerWaalsContact O-N 3.13Å
342E33.9Very low35.4Very low161 Ų161126 Ų12675%0.75265%0.646SS**SBendtrans-58.2155.5159-59.9173.913100109.7
343Y28.8Very low34.1Very low234 Ų234125.9 Ų125.992%0.91865%0.652SS**SBendtrans81.368.2-179.1-54.6-85.4000117.7
344G26.5Very low32.9Very low73 Ų73131.1 Ų131.175%0.75368%0.675SS**  trans151.9139.3165.300000109.8
345S28.8Very low32.1Very low76 Ų76132.2 Ų132.253%0.53169%0.687SS.*  cis-155.6107.8-0.3170.10000106.7V347S345-V347 PolarHBondContact O-N 3.49Å; S345-V347 WeakPolarHBondContact OG-CB 3.42Å; S345-V347 WeakPolarHBondContact OG-CG2 3.32Å; S345-V347 PolarHBondContact OG-N 2.71Å
346S30.2Very low31.7Very low109 Ų109127.7 Ų127.776%0.76269%0.687SS**THydrogen-bonded Turn50.5278.679.40000117.1
347V27.5Very low31.2Very low76 Ų76124.2 Ų124.246%0.46168%0.68SS.*THydrogen-bonded Turntrans-129.3-27.6-177.6169.30000113.6S345 E349 L351S345-V347 PolarHBondContact O-N 3.49Å; S345-V347 WeakPolarHBondContact OG-CB 3.42Å; S345-V347 WeakPolarHBondContact OG-CG2 3.32Å; S345-V347 PolarHBondContact OG-N 2.71Å; V347-E349 VanDerWaalsContact C-N 3.31Å; V347-E349 PolarHBondContact O-N 3.05Å; V347-L351 HydrophobicContact CG1-CD1 4.33Å; V347-L351 PolarHBondContact O-N 3.32Å
348H27.8Very low30.6Very low146 Ų146121 Ų12168%0.67668%0.683SS**THydrogen-bonded Turntrans-77.6-15.9-178.2-131.8-28.4000114.6
349E33.8Very low30.1Very low178 Ų178120.4 Ų120.483%0.83269%0.694SS**THydrogen-bonded Turntrans-90-15.9178.5-148158.8-16800112.5V347V347-E349 VanDerWaalsContact C-N 3.31Å; V347-E349 PolarHBondContact O-N 3.05Å
350E30.4Very low29.7Very low141 Ų141119 Ų11966%0.65969%0.687SS**THydrogen-bonded Turntrans-88.8-25.7170-69.8-170.3153.400113.1L352 S353E350-L352 VanDerWaalsContact C-N 3.28Å; E350-L352 PolarHBondContact O-N 3.49Å; E350-S353 PolarHBondContact O-N 2.83Å; E350-S353 PolarHBondContact O-OG 2.84Å
351L29.2Very low29.3Very low106 Ų106118.3 Ų118.356%0.55568%0.683SS**THydrogen-bonded Turntrans-72.9-18.6174.8-83.9168.4000113.8V347V347-L351 HydrophobicContact CG1-CD1 4.33Å; V347-L351 PolarHBondContact O-N 3.32Å
352L30.6Very low29.3Very low127 Ų127119.7 Ų119.767%0.66569%0.69SS**THydrogen-bonded Turntrans-88.8-11.5175.5-74.5166.6000113.6E350 N354E350-L352 VanDerWaalsContact C-N 3.28Å; E350-L352 PolarHBondContact O-N 3.49Å; L352-N354 VanDerWaalsContact C-N 3.33Å
353S32.1Very low29.2Very low83 Ų83119.2 Ų119.258%0.5869%0.688SS**SBendtrans-77.5-13.3167.731.90000114.5E350E350-S353 PolarHBondContact O-N 2.83Å; E350-S353 PolarHBondContact O-OG 2.84Å
354N27.8Very low29.3Very low130 Ų130116.4 Ų116.470%0.69568%0.684SS**SBendtrans-113.710.4-177.5-85.5-6.7000114.4L352L352-N354 VanDerWaalsContact C-N 3.33Å
355A28.8Very low29.5Very low75 Ų75116.8 Ų116.862%0.6269%0.687SS**SBendtrans-12115.1-171.400000115.5
356S30.7Very low29.4Very low116 Ų116124.9 Ų124.981%0.81171%0.706SS**SBendtrans-137.911.7169.767.80000114.5
357S26.5Very low29.4Very low77 Ų77123.9 Ų123.954%0.53870%0.704SS.*SBendtrans-95.7138146.251.30000107.4
358S26.4Very low29.5Very low111 Ų111132 Ų13278%0.77673%0.727SS**  trans77.251.5-176.7-48.90000116.8N360S358-N360 WeakPolarHBondContact CA-OD1 3.43Å
359A28.5Very low29.4Very low93 Ų93130 Ų13077%0.76973%0.729SS**  -133.592122.700000105.1
360N27.5Very low29.1Very low118 Ų118133.1 Ų133.163%0.63173%0.733SS**  55.2125.979.9-63.151.4000112.4S358S358-N360 WeakPolarHBondContact CA-OD1 3.43Å
361D30.3Very low29.3Very low128 Ų128131.5 Ų131.568%0.68474%0.738SS**  cis-159.7147.4-21.3-97.4-47.5000105.2
362D29.6Very low29.6Very low155 Ų155132 Ų13283%0.82975%0.747SS**  trans149.4126.5138.9-76.5-27.4000115
363E30.6Very low29.6Very low152 Ų152133.7 Ų133.771%0.7176%0.756SS**  trans6595.9161.8-50.9-148.9111.400119.5
364Q30.9Very low29.5Very low175 Ų175139.7 Ų139.782%0.81877%0.766SS**  76127.285.6-73.6171.961.600113.4
365G31.5Very low29.5Very low80 Ų80140.3 Ų140.383%0.82577%0.769SS**  cis-176.4-165.9-000000108.1
366R27.6Very low29.6Very low246 Ų246140.3 Ų140.393%0.92878%0.776SS**  cis-170.7152.3-6.3-171.6177.1-176.9128.3-3.4109.1
367A30.1Very low29.4Very low88 Ų88143.7 Ų143.773%0.72778%0.779SS**  trans66.5129.7167.200000118.5
368R27.8Very low29.5Very low247 Ų247148.8 Ų148.893%0.93280%0.795SS**  cis71.3119.240.9-71.6-174.1169.8168.2-2115.7
369S27Very low29.6Very low103 Ų103153.3 Ų153.372%0.7280%0.803SS**  145.5141.4114-1620000116.7
370R27.7Very low29.5Very low245 Ų245151 Ų15193%0.92579%0.788SS**  trans77.1151.2153.4-81165.7179.8178-2.1122.9
371S34.4Very low29.5Very low107 Ų107151.5 Ų151.575%0.74880%0.802SS**  trans-109.2169-178.152.40000111.3
372P34.5Very low29.3Very low117 Ų117152.4 Ų152.476%0.7681%0.805SS**  -153.6158.594.839.6-20.8000118.4
373L31.6Very low29.4Very low162 Ų162150 Ų15085%0.84880%0.797SS**  trans18.4143144.4-92.1102.4000125.2
374R29Very low29.5Very low209 Ų209148.2 Ų148.279%0.78979%0.792SS**  102.993.5126.5-172.5176.2168.5169.5-5.9121.2
375N29.6Very low29.8Very low142 Ų142151.3 Ų151.376%0.75980%0.797SS**  154125.1111.2-97-4.7000114.1
376G29.1Very low30.3Very low75 Ų75153.1 Ų153.177%0.77378%0.782SS**  trans72.2123.3164.300000116.9
377E27.7Very low31Very low188 Ų188143.7 Ų143.788%0.87975%0.751SS**  cis-155.3147.4-4.7-127.3159.8-164.400108.9
378E27.4Very low32Very low184 Ų184142.2 Ų142.286%0.8673%0.733SS**  trans48.291.4166.7-54.2-156.214700120.7G380E378-G380 VanDerWaalsContact C-N 3.27Å; E378-G380 PolarHBondContact O-N 3.44Å
379Q28.8Very low33.4Very low205 Ų205131.2 Ų131.296%0.95869%0.694SS**  trans-67.484.9146.1-73.1177.6-31.500110.5
380G26.5Very low34.9Very low44 Ų44129.5 Ų129.545%0.45468%0.675SS.*  trans-73133.4161.500000111.3E378 I382E378-G380 VanDerWaalsContact C-N 3.27Å; E378-G380 PolarHBondContact O-N 3.44Å; G380-I382 WeakPolarHBondContact O-CG1 3.4Å; G380-I382 PolarHBondContact O-N 2.78Å
381S27.3Very low36.2Very low130 Ų130120.9 Ų120.991%0.90965%0.649SS**  trans-68.489.5171.340.90000110.9
382I25.5Very low37.5Very low147 Ų147117.5 Ų117.575%0.75462%0.624SS**  trans-112.6126-169.5-65161.6000110.3G380G380-I382 WeakPolarHBondContact O-CG1 3.4Å; G380-I382 PolarHBondContact O-N 2.78Å
383P33.4Very low38.7Very low103 Ų103112.6 Ų112.667%0.66959%0.592SS**  trans-73.5162.9-158.728.3-37.5000114.9R385P383-R385 WeakPolarHBondContact O-CA 3.37Å; P383-R385 PolarHBondContact O-N 3.21Å
384L32.3Very low40.1Very low115 Ų115111.7 Ų111.760%0.60258%0.577SS**  trans-48.292171.7-82.4151.1000111.1K386L384-K386 PolarHBondContact O-N 3.37Å; L384-K386 VanDerWaalsContact O-N 3.13Å
385R37.4Very low41.6Very low241 Ų241104.8 Ų104.891%0.90956%0.555SS**  trans-68.2116.1-163.3-163176.9-170.5-179.54.5110.6P383 V387P383-R385 WeakPolarHBondContact O-CA 3.37Å; P383-R385 PolarHBondContact O-N 3.21Å; R385-V387 PolarHBondContact O-N 2.85Å
386K40.7Very low42.9Very low117 Ų117102.9 Ų102.951%0.50954%0.54SS..  trans-10102.1-178.8-81.2-177173.4178.20114L384 T388 E545L384-K386 PolarHBondContact O-N 3.37Å; L384-K386 VanDerWaalsContact O-N 3.13Å; K386-T388 PolarHBondContact O-N 3.2Å; K386-E545 HydrophobicContact CD-CG 4.33Å; K386-E545 VanDerWaalsContact NZ-CD 3.29Å; K386-E545 IonicContact NZ-OE1 3.44Å; K386-E545 PolarHBondContact NZ-OE1 3.03Å; K386-E545 IonicContact NZ-OE2 3.74Å
387V43.4Very low44.4Very low48 Ų48100.3 Ų100.329%0.29151%0.509SS..  trans-59.4104.3164.4179.20000107.2R385 V391 V392 I556R385-V387 PolarHBondContact O-N 2.85Å; V387-V391 HydrophobicContact CG1-CB 4.25Å; V387-V392 HydrophobicContact CG1-CG2 3.98Å; V387-I556 HydrophobicContact CG2-CD1 4.16Å
388T50.2Low45.9Very low58 Ų5892 Ų9236%0.35647%0.472SS..  trans-70.8153.5-175.863.10000110.2K386 Q390 V391K386-T388 PolarHBondContact O-N 3.2Å; T388-Q390 PolarHBondContact O-N 3.34Å; T388-Q390 PolarHBondContact OG1-OE1 3.05Å; T388-V391 PolarHBondContact O-N 2.85Å
389S57.7Low47.3Very low15 Ų1588.5 Ų88.511%0.10546%0.459CS..Hα-helixtrans-49.8-33.6176.948.10000112.9V391 V392 D393S389-V391 PolarHBondContact O-N 3.04Å; S389-V392 PolarHBondContact O-N 2.89Å; S389-D393 PolarHBondContact O-N 2.83Å
390Q58.1Low48.6Very low68 Ų6884.3 Ų84.332%0.31844%0.442SS..Hα-helixtrans-57.7-41.3177.3-60.9174-59.900113.9T388 D393 R394T388-Q390 PolarHBondContact O-N 3.34Å; T388-Q390 PolarHBondContact OG1-OE1 3.05Å; Q390-D393 PolarHBondContact O-N 3.04Å; Q390-R394 WeakPolarHBondContact O-CB 3.24Å; Q390-R394 PolarHBondContact O-N 3.21Å
391V56.5Low49.9Very low63 Ų6385.7 Ų85.738%0.38244%0.435SS..Hα-helixtrans-70.3-39.4-178.3-177.50000110.2V387 T388 S389 R394 N395V387-V391 HydrophobicContact CG1-CB 4.25Å; T388-V391 PolarHBondContact O-N 2.85Å; S389-V391 PolarHBondContact O-N 3.04Å; V391-R394 PolarHBondContact O-N 2.97Å; V391-N395 PolarHBondContact O-N 3.01Å
392V59.9Low51.2Low37 Ų3782.3 Ų82.322%0.22441%0.407CS..Hα-helixtrans-71.1-35.4176.2-172.70000111.5V387 S389 K396 Y544V387-V392 HydrophobicContact CG1-CG2 3.98Å; S389-V392 PolarHBondContact O-N 2.89Å; V392-K396 WeakPolarHBondContact O-CB 3.38Å; V392-K396 PolarHBondContact O-N 3.23Å; V392-Y544 HydrophobicContact CB-CE1 4.28Å; V392-Y544 HydrophobicContact CG1-CE1 3.96Å; V392-Y544 WeakPolarHBondContact CG1-OH 3.34Å; V392-Y544 HydrophobicContact CG2-CD1 4.45Å; V392-Y544 HydrophobicContact CG2-CE1 4.07Å
393D60.9Low52.2Low14 Ų1481.9 Ų81.98%0.07541%0.411CS..Hα-helixtrans-60.4-48.7170.7-91-37.5000111.7S389 Q390 N395 K396 L397 R540S389-D393 PolarHBondContact O-N 2.83Å; Q390-D393 PolarHBondContact O-N 3.04Å; D393-N395 VanDerWaalsContact C-N 3.27Å; D393-N395 PolarHBondContact O-N 3.42Å; D393-K396 PolarHBondContact O-N 3.08Å; D393-K396 VanDerWaalsContact O-N 3.15Å; D393-L397 HydrophobicContact CB-CD1 4.42Å; D393-L397 WeakPolarHBondContact O-CB 3.38Å; D393-L397 WeakPolarHBondContact O-CD1 3.49Å; D393-L397 VanDerWaalsContact O-CG 3.3Å; D393-L397 WeakPolarHBondContact O-CG 3.49Å; D393-L397 PolarHBondContact O-N 3.43Å; D393-R540 VanDerWaalsContact CG-CZ 3.44Å; D393-R540 IonicContact OD1-CZ 3.56Å; D393-R540 IonicContact OD1-NH1 3.58Å; D393-R540 PolarHBondContact OD1-NH1 3.43Å; D393-R540 IonicContact OD1-NH2 3.65Å; D393-R540 PolarHBondContact OD1-NH2 2.64Å; D393-R540 IonicContact OD2-CZ 2.85Å; D393-R540 IonicContact OD2-NH1 2.7Å; D393-R540 PolarHBondContact OD2-NH1 2.66Å; D393-R540 IonicContact OD2-NH2 3.87Å; D393-R540 PolarHBondContact OD2-NH2 3.28Å
394R61.7Low52.6Low143 Ų14382 Ų8254%0.5441%0.41SS..Hα-helixtrans-56.5-42.7-178.3-153.1-176.4107.6114.87.2111.8Q390 V391 S398 I418Q390-R394 WeakPolarHBondContact O-CB 3.24Å; Q390-R394 PolarHBondContact O-N 3.21Å; V391-R394 PolarHBondContact O-N 2.97Å; R394-S398 PolarHBondContact O-N 3.33Å; R394-I418 HydrophobicContact CG-CG2 3.5Å; R394-I418 VanDerWaalsContact CG-CG2 3.5Å
395N58.7Low52.9Low63 Ų6380 Ų8034%0.33741%0.41SS..Hα-helixtrans-78-29.3178.3-77.217.6000113.8V391 D393 S398 N399V391-N395 PolarHBondContact O-N 3.01Å; D393-N395 VanDerWaalsContact C-N 3.27Å; D393-N395 PolarHBondContact O-N 3.42Å; N395-S398 VanDerWaalsContact CA-OG 3.31Å; N395-S398 WeakPolarHBondContact CA-OG 3.41Å; N395-S398 PolarHBondContact O-OG 3.17Å; N395-N399 PolarHBondContact O-N 2.96Å; N395-N399 VanDerWaalsContact O-N 3.14Å; N395-N399 PolarHBondContact O-OD1 3.39Å
396K58.8Low52.6Low102 Ų10275.3 Ų75.344%0.44341%0.411SS..Hα-helixtrans-68.8-40.7169.5-89.4-174.2171-177.80111.6V392 D393 N399 I400V392-K396 WeakPolarHBondContact O-CB 3.38Å; V392-K396 PolarHBondContact O-N 3.23Å; D393-K396 PolarHBondContact O-N 3.08Å; D393-K396 VanDerWaalsContact O-N 3.15Å; K396-N399 PolarHBondContact O-N 3.33Å; K396-I400 WeakPolarHBondContact O-CD1 3.46Å; K396-I400 VanDerWaalsContact O-CG1 3.25Å; K396-I400 WeakPolarHBondContact O-CG1 3.46Å; K396-I400 PolarHBondContact O-N 3.01Å; K396-I400 VanDerWaalsContact O-N 3.09Å
397L59.8Low52.7Low21 Ų2173.4 Ų73.411%0.1143%0.425CS..Hα-helixtrans-65-42.7175-72.2160.9000110.7D393 N399 I400 F401 I418 M421 I425D393-L397 HydrophobicContact CB-CD1 4.42Å; D393-L397 WeakPolarHBondContact O-CB 3.38Å; D393-L397 WeakPolarHBondContact O-CD1 3.49Å; D393-L397 VanDerWaalsContact O-CG 3.3Å; D393-L397 WeakPolarHBondContact O-CG 3.49Å; D393-L397 PolarHBondContact O-N 3.43Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 2.93Å; L397-I400 PolarHBondContact O-N 3.4Å; L397-I400 VanDerWaalsContact O-N 3.17Å; L397-F401 HydrophobicContact CB-CD2 4.45Å; L397-F401 HydrophobicContact CD2-CE2 3.9Å; L397-F401 WeakPolarHBondContact O-CD2 3.15Å; L397-F401 PolarHBondContact O-N 2.89Å; L397-I418 HydrophobicContact CB-CG1 4.29Å; L397-M421 HydrophobicContact CD1-CB 3.89Å; L397-M421 HydrophobicContact CD2-CB 4.29Å; L397-M421 HydrophobicContact CD2-CG 4.34Å; L397-I425 HydrophobicContact CD1-CD1 4.41Å
398S59.7Low52.5Low15 Ų1577.6 Ų77.611%0.10545%0.446CS..Hα-helixtrans-59.9-42.2174.566.40000112.2R394 N395 I400 F401 N402R394-S398 PolarHBondContact O-N 3.33Å; N395-S398 VanDerWaalsContact CA-OG 3.31Å; N395-S398 WeakPolarHBondContact CA-OG 3.41Å; N395-S398 PolarHBondContact O-OG 3.17Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 PolarHBondContact O-N 2.64Å; S398-F401 CarbonylContact O-C 3.52Å; S398-F401 PolarHBondContact O-N 3.02Å; S398-N402 VanDerWaalsContact O-CB 3.22Å; S398-N402 WeakPolarHBondContact O-CB 3.34Å; S398-N402 PolarHBondContact O-N 3.1Å
399N57.1Low52.1Low110 Ų11084.7 Ų84.759%0.58847%0.472SS*.Hα-helixtrans-72.6-19.3178.6-69.18.9000113.8N395 K396 L397N395-N399 PolarHBondContact O-N 2.96Å; N395-N399 VanDerWaalsContact O-N 3.14Å; N395-N399 PolarHBondContact O-OD1 3.39Å; K396-N399 PolarHBondContact O-N 3.33Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-N399 PolarHBondContact O-N 2.93Å
400I54.4Low51.5Low116 Ų11688 Ų8860%0.59549%0.485SS*.Hα-helixtrans-82.2-31.4172-69.6164.2000111K396 L397 S398K396-I400 WeakPolarHBondContact O-CD1 3.46Å; K396-I400 VanDerWaalsContact O-CG1 3.25Å; K396-I400 WeakPolarHBondContact O-CG1 3.46Å; K396-I400 PolarHBondContact O-N 3.01Å; K396-I400 VanDerWaalsContact O-N 3.09Å; L397-I400 PolarHBondContact O-N 3.4Å; L397-I400 VanDerWaalsContact O-N 3.17Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 PolarHBondContact O-N 2.64Å
401F55.1Low51.1Low73 Ų7388.1 Ų88.132%0.3249%0.494SS..Hα-helixtrans-100.2-9.3-177.3-68.2-61.6000115L397 S398 M417 I418L397-F401 HydrophobicContact CB-CD2 4.45Å; L397-F401 HydrophobicContact CD2-CE2 3.9Å; L397-F401 WeakPolarHBondContact O-CD2 3.15Å; L397-F401 PolarHBondContact O-N 2.89Å; S398-F401 CarbonylContact O-C 3.52Å; S398-F401 PolarHBondContact O-N 3.02Å; F401-M417 HydrophobicContact CD1-CE 4.13Å; F401-M417 HydrophobicContact CE1-CE 3.45Å; F401-M417 VanDerWaalsContact CE1-CE 3.45Å; F401-M417 HydrophobicContact CE2-CE 4.22Å; F401-M417 HydrophobicContact CZ-CE 3.52Å; F401-I418 HydrophobicContact CD2-CG1 4.47Å
402N53.9Low50.4Low60 Ų6089 Ų8932%0.32151%0.508SS..  trans-101.899.7171.3-71.7-10.5000110.5S398S398-N402 VanDerWaalsContact O-CB 3.22Å; S398-N402 WeakPolarHBondContact O-CB 3.34Å; S398-N402 PolarHBondContact O-N 3.1Å
403T46.1Very low49.8Very low137 Ų13790.5 Ų90.584%0.8452%0.524SS*.  trans-107.216.2174.145.90000113.4
404T41.6Very low49.5Very low105 Ų10590.7 Ų90.764%0.64453%0.526SS*.SBendtrans-115.6152.5179.345.40000111.4
405A39.1Very low49.2Very low73 Ų7388.1 Ų88.160%0.60352%0.519SS*.  trans-56.3152.2-17000000114.3G407A405-G407 PolarHBondContact O-N 3.38Å
406P31.1Very low48.9Very low143 Ų14386.7 Ų86.793%0.92952%0.52SS*.THydrogen-bonded Turntrans-66.8105179.528.1-34.4000110.6
407G43.2Very low48.7Very low77 Ų7786.1 Ų86.179%0.79452%0.519SS*.THydrogen-bonded Turntrans158.9-32178.200000114.4A405A405-G407 PolarHBondContact O-N 3.38Å
408D39.1Very low48.7Very low136 Ų13685.5 Ų85.573%0.72752%0.516SS*.SBendtrans-89.8140.4-174.6-83-42.6000114.4E410D408-E410 PolarHBondContact O-N 3.49Å
409K41.5Very low48.6Very low208 Ų20887.7 Ų87.790%0.90454%0.535SS*.PPolyproline II helixtrans-64.9123-167.6-63.9176.1-179.4176.30113S411K409-S411 PolarHBondContact O-N 3.4Å
410E45.2Very low48.7Very low83 Ų8386.7 Ų86.739%0.38853%0.533SS..PPolyproline II helixtrans-51.8120.3177.5-63.6179.4134.900113.6D408 K415D408-E410 PolarHBondContact O-N 3.49Å; E410-K415 HydrophobicContact CB-CD 4.37Å; E410-K415 HydrophobicContact CB-CG 4.49Å; E410-K415 PolarHBondContact O-NZ 2.7Å; E410-K415 WeakPolarHBondContact OE2-CE 3.38Å; E410-K415 IonicContact OE2-NZ 2.6Å; E410-K415 PolarHBondContact OE2-NZ 3.08Å
411S48.9Very low49Very low71 Ų7185.1 Ų85.150%0.49752%0.524SS..PPolyproline II helixtrans-61.6143178.4179.30000113.2K409 A413 S414 K415K409-S411 PolarHBondContact O-N 3.4Å; S411-A413 PolarHBondContact O-N 3.36Å; S411-A413 PolarHBondContact OG-N 3.44Å; S411-S414 PolarHBondContact O-N 3.37Å; S411-S414 PolarHBondContact O-OG 3.49Å; S411-K415 PolarHBondContact O-N 3.25Å; S411-K415 VanDerWaalsContact O-N 3.13Å
412A43.8Very low49.3Very low82 Ų8283 Ų8368%0.67852%0.517SS*.Hα-helixtrans-58.9-28.7175.400000112.9G416A412-G416 PolarHBondContact O-N 3.33Å
413A46.3Very low49.8Very low68 Ų6886 Ų8656%0.56253%0.528SS*.Hα-helixtrans-69.4-41.8177.300000112.6S411 G416 M417S411-A413 PolarHBondContact O-N 3.36Å; S411-A413 PolarHBondContact OG-N 3.44Å; A413-G416 PolarHBondContact O-N 3.18Å; A413-M417 PolarHBondContact O-N 2.78Å
414S54.8Low50.7Low18 Ų1883 Ų8313%0.12651%0.509CS..Hα-helixtrans-70.3-40.5176.160.40000111S411 G416 M417 I418S411-S414 PolarHBondContact O-N 3.37Å; S411-S414 PolarHBondContact O-OG 3.49Å; S414-G416 VanDerWaalsContact C-N 3.33Å; S414-G416 PolarHBondContact O-N 3.01Å; S414-M417 PolarHBondContact O-N 2.82Å; S414-I418 WeakPolarHBondContact O-CB 3.22Å; S414-I418 WeakPolarHBondContact O-CD1 3.17Å; S414-I418 WeakPolarHBondContact O-CG1 3.19Å; S414-I418 PolarHBondContact O-N 3.47Å
415K54.1Low52Low89 Ų8980.5 Ų80.539%0.38749%0.491SS..Hα-helixtrans-56.5-44170.5-76171.1172.6155.20112.5E410 S411 I418 A419E410-K415 HydrophobicContact CB-CD 4.37Å; E410-K415 HydrophobicContact CB-CG 4.49Å; E410-K415 PolarHBondContact O-NZ 2.7Å; E410-K415 WeakPolarHBondContact OE2-CE 3.38Å; E410-K415 IonicContact OE2-NZ 2.6Å; E410-K415 PolarHBondContact OE2-NZ 3.08Å; S411-K415 PolarHBondContact O-N 3.25Å; S411-K415 VanDerWaalsContact O-N 3.13Å; K415-I418 PolarHBondContact O-N 3.46Å; K415-A419 WeakPolarHBondContact O-CB 3.47Å; K415-A419 PolarHBondContact O-N 2.91Å
416G53.7Low53.6Low34 Ų3480.6 Ų80.635%0.35148%0.478SS..Hα-helixtrans-62.4-49.7175.500000112.5A412 A413 S414 I418 A419 V420A412-G416 PolarHBondContact O-N 3.33Å; A413-G416 PolarHBondContact O-N 3.18Å; S414-G416 VanDerWaalsContact C-N 3.33Å; S414-G416 PolarHBondContact O-N 3.01Å; G416-I418 VanDerWaalsContact C-N 3.35Å; G416-I418 PolarHBondContact O-N 3.06Å; G416-A419 PolarHBondContact O-N 3.11Å; G416-V420 WeakPolarHBondContact O-CG2 3.48Å; G416-V420 PolarHBondContact O-N 3.45Å
417M53.7Low55.5Low89 Ų8976.9 Ų76.944%0.43845%0.448SS..Hα-helixtrans-61-40.1176.1-80.3-177.156.300113F401 A413 S414 A419 V420 M421F401-M417 HydrophobicContact CD1-CE 4.13Å; F401-M417 HydrophobicContact CE1-CE 3.45Å; F401-M417 VanDerWaalsContact CE1-CE 3.45Å; F401-M417 HydrophobicContact CE2-CE 4.22Å; F401-M417 HydrophobicContact CZ-CE 3.52Å; A413-M417 PolarHBondContact O-N 2.78Å; S414-M417 PolarHBondContact O-N 2.82Å; M417-A419 VanDerWaalsContact C-N 3.34Å; M417-V420 PolarHBondContact O-N 2.9Å; M417-M421 VanDerWaalsContact O-CB 3.29Å; M417-M421 WeakPolarHBondContact O-CB 3.45Å; M417-M421 VanDerWaalsContact O-CG 3.27Å; M417-M421 WeakPolarHBondContact O-CG 3.26Å; M417-M421 PolarHBondContact O-N 3.42Å
418I59.9Low57.2Low9 Ų973.7 Ų73.75%0.04641%0.414CS..Hα-helixtrans-63.5-41.8176.3-69.8162.9000110.3R394 L397 F401 S414 K415 G416 T422R394-I418 HydrophobicContact CG-CG2 3.5Å; R394-I418 VanDerWaalsContact CG-CG2 3.5Å; L397-I418 HydrophobicContact CB-CG1 4.29Å; F401-I418 HydrophobicContact CD2-CG1 4.47Å; S414-I418 WeakPolarHBondContact O-CB 3.22Å; S414-I418 WeakPolarHBondContact O-CD1 3.17Å; S414-I418 WeakPolarHBondContact O-CG1 3.19Å; S414-I418 PolarHBondContact O-N 3.47Å; K415-I418 PolarHBondContact O-N 3.46Å; G416-I418 VanDerWaalsContact C-N 3.35Å; G416-I418 PolarHBondContact O-N 3.06Å; I418-T422 WeakPolarHBondContact O-CB 3.42Å; I418-T422 PolarHBondContact O-N 3.4Å; I418-T422 PolarHBondContact O-OG1 3.42Å
419A57.1Low59.3Low60 Ų6069 Ų6950%0.49639%0.386SS..Hα-helixtrans-65.1-45.6176.100000112.3K415 G416 M417 T422 F423K415-A419 WeakPolarHBondContact O-CB 3.47Å; K415-A419 PolarHBondContact O-N 2.91Å; G416-A419 PolarHBondContact O-N 3.11Å; M417-A419 VanDerWaalsContact C-N 3.34Å; A419-T422 PolarHBondContact O-N 3.24Å; A419-F423 WeakPolarHBondContact O-CB 3.38Å; A419-F423 PolarHBondContact O-N 2.79Å
420V59.9Low61.1Low90 Ų9060.8 Ų60.855%0.54536%0.355SS..Hα-helixtrans-63.7-47.1177.5172.40000111.3G416 M417 T422 F423 V424G416-V420 WeakPolarHBondContact O-CG2 3.48Å; G416-V420 PolarHBondContact O-N 3.45Å; M417-V420 PolarHBondContact O-N 2.9Å; V420-T422 VanDerWaalsContact C-N 3.31Å; V420-T422 PolarHBondContact O-N 3.17Å; V420-F423 PolarHBondContact O-N 3.24Å; V420-V424 HydrophobicContact CG1-CG2 4.3Å; V420-V424 WeakPolarHBondContact O-CG2 3.18Å; V420-V424 PolarHBondContact O-N 3.08Å
421M60.6Low62.8Low82 Ų8260.9 Ų60.940%0.40436%0.357SS..Hα-helixtrans-58.1-43174.8-76.6-78.5178.400111.5L397 M417 F423 V424 I425L397-M421 HydrophobicContact CD1-CB 3.89Å; L397-M421 HydrophobicContact CD2-CB 4.29Å; L397-M421 HydrophobicContact CD2-CG 4.34Å; M417-M421 VanDerWaalsContact O-CB 3.29Å; M417-M421 WeakPolarHBondContact O-CB 3.45Å; M417-M421 VanDerWaalsContact O-CG 3.27Å; M417-M421 WeakPolarHBondContact O-CG 3.26Å; M417-M421 PolarHBondContact O-N 3.42Å; M421-F423 PolarHBondContact O-N 3.4Å; M421-V424 PolarHBondContact O-N 3.46Å; M421-I425 WeakPolarHBondContact O-CB 3.36Å; M421-I425 WeakPolarHBondContact O-CD1 3.39Å; M421-I425 WeakPolarHBondContact O-CG1 3.33Å; M421-I425 PolarHBondContact O-N 2.94Å
422T62.5Low64.4Low29 Ų2957.6 Ų57.618%0.17833%0.334CS..Hα-helixtrans-65.1-39.3177.4-53.60000111.9I418 A419 V420 F426I418-T422 WeakPolarHBondContact O-CB 3.42Å; I418-T422 PolarHBondContact O-N 3.4Å; I418-T422 PolarHBondContact O-OG1 3.42Å; A419-T422 PolarHBondContact O-N 3.24Å; V420-T422 VanDerWaalsContact C-N 3.31Å; V420-T422 PolarHBondContact O-N 3.17Å; T422-F426 WeakPolarHBondContact O-CB 3.47Å; T422-F426 PolarHBondContact O-N 2.92Å; T422-F426 VanDerWaalsContact O-N 3.08Å
423F64.1Low66.4Low124 Ų12453.9 Ų53.954%0.54430%0.303SS..Hα-helixtrans-66.2-46.4176-179.2-93.5000112.1A419 V420 M421 I425 F426 H427A419-F423 WeakPolarHBondContact O-CB 3.38Å; A419-F423 PolarHBondContact O-N 2.79Å; V420-F423 PolarHBondContact O-N 3.24Å; M421-F423 PolarHBondContact O-N 3.4Å; F423-I425 PolarHBondContact O-N 3.46Å; F423-F426 PolarHBondContact O-N 3.12Å; F423-F426 VanDerWaalsContact O-N 3.16Å; F423-H427 AromaticContact CD2-CD2 3.66Å; F423-H427 AromaticContact CD2-NE2 3.96Å; F423-H427 AromaticContact CE1-CD2 3.87Å; F423-H427 AromaticContact CE2-CD2 3.32Å; F423-H427 WeakPolarHBondContact CE2-CD2 3.46Å; F423-H427 AromaticContact CE2-NE2 3.34Å; F423-H427 VanDerWaalsContact CE2-NE2 3.34Å; F423-H427 WeakPolarHBondContact CE2-NE2 3.29Å; F423-H427 AromaticContact CZ-CD2 3.44Å; F423-H427 VanDerWaalsContact CZ-CD2 3.44Å; F423-H427 WeakPolarHBondContact CZ-CD2 3.42Å; F423-H427 AromaticContact CZ-NE2 3.68Å; F423-H427 PolarHBondContact O-CD2 3.12Å; F423-H427 PolarHBondContact O-N 2.98Å
424V65.2Low67.9Low73 Ų7354 Ų5444%0.44230%0.297SS..Hα-helixtrans-61.9-42.9176.7171.20000111.1V420 M421 F426 H427 S428V420-V424 HydrophobicContact CG1-CG2 4.3Å; V420-V424 WeakPolarHBondContact O-CG2 3.18Å; V420-V424 PolarHBondContact O-N 3.08Å; M421-V424 PolarHBondContact O-N 3.46Å; V424-F426 VanDerWaalsContact C-N 3.3Å; V424-F426 PolarHBondContact O-N 2.78Å; V424-H427 PolarHBondContact O-N 2.81Å; V424-S428 WeakPolarHBondContact O-CA 3.35Å; V424-S428 WeakPolarHBondContact O-CB 3.19Å; V424-S428 PolarHBondContact O-N 3.32Å
425I68.3Low69.3Low52 Ų5253.5 Ų53.527%0.26729%0.294SS..Hα-helixtrans-61.1-39.5175-70.1164.6000110.9L397 M421 F423 S428 L537L397-I425 HydrophobicContact CD1-CD1 4.41Å; M421-I425 WeakPolarHBondContact O-CB 3.36Å; M421-I425 WeakPolarHBondContact O-CD1 3.39Å; M421-I425 WeakPolarHBondContact O-CG1 3.33Å; M421-I425 PolarHBondContact O-N 2.94Å; F423-I425 PolarHBondContact O-N 3.46Å; I425-S428 WeakPolarHBondContact O-CB 3.37Å; I425-S428 PolarHBondContact O-OG 3.26Å; I425-L537 HydrophobicContact CG2-CD2 4.27Å
426F71.7Confident70.8Confident75 Ų7549.6 Ų49.633%0.32928%0.277SS..Hα-helixtrans-71.7-40.4179.4-171.7-102.7000113.8T422 F423 V424T422-F426 WeakPolarHBondContact O-CB 3.47Å; T422-F426 PolarHBondContact O-N 2.92Å; T422-F426 VanDerWaalsContact O-N 3.08Å; F423-F426 PolarHBondContact O-N 3.12Å; F423-F426 VanDerWaalsContact O-N 3.16Å; V424-F426 VanDerWaalsContact C-N 3.3Å; V424-F426 PolarHBondContact O-N 2.78Å
427H72.8Confident72.2Confident65 Ų6549.7 Ų49.730%0.30127%0.269SS..Hα-helixtrans-88-3.2179.2-75.5-84.1000114.2F423 V424 Y429 S430F423-H427 AromaticContact CD2-CD2 3.66Å; F423-H427 AromaticContact CD2-NE2 3.96Å; F423-H427 AromaticContact CE1-CD2 3.87Å; F423-H427 AromaticContact CE2-CD2 3.32Å; F423-H427 WeakPolarHBondContact CE2-CD2 3.46Å; F423-H427 AromaticContact CE2-NE2 3.34Å; F423-H427 VanDerWaalsContact CE2-NE2 3.34Å; F423-H427 WeakPolarHBondContact CE2-NE2 3.29Å; F423-H427 AromaticContact CZ-CD2 3.44Å; F423-H427 VanDerWaalsContact CZ-CD2 3.44Å; F423-H427 WeakPolarHBondContact CZ-CD2 3.42Å; F423-H427 AromaticContact CZ-NE2 3.68Å; F423-H427 PolarHBondContact O-CD2 3.12Å; F423-H427 PolarHBondContact O-N 2.98Å; V424-H427 PolarHBondContact O-N 2.81Å; H427-Y429 PolarHBondContact O-N 2.55Å; H427-S430 PolarHBondContact O-N 2.9Å; H427-S430 PolarHBondContact O-OG 3.42Å
428S78.1Confident73.4Confident11 Ų1148 Ų488%0.07726%0.263CS..Hα-helixtrans-47.8-30.3179.758.30000115.6V424 I425 S430 I431 A432 L537V424-S428 WeakPolarHBondContact O-CA 3.35Å; V424-S428 WeakPolarHBondContact O-CB 3.19Å; V424-S428 PolarHBondContact O-N 3.32Å; I425-S428 WeakPolarHBondContact O-CB 3.37Å; I425-S428 PolarHBondContact O-OG 3.26Å; S428-S430 VanDerWaalsContact C-N 3.28Å; S428-S430 PolarHBondContact O-N 3.05Å; S428-I431 WeakPolarHBondContact O-CB 2.84Å; S428-I431 PolarHBondContact O-N 3.02Å; S428-A432 PolarHBondContact O-N 3.31Å; S428-L537 WeakPolarHBondContact OG-CD1 3.43Å
429Y83.3Confident74.7Confident36 Ų3648.2 Ų48.214%0.14126%0.264CS..Hα-helixtrans-62.3-32.6176.279.2-87000112.9H427 I431 A432 L433 T464 R465H427-Y429 PolarHBondContact O-N 2.55Å; Y429-I431 VanDerWaalsContact C-N 3.31Å; Y429-I431 PolarHBondContact O-N 3.48Å; Y429-A432 PolarHBondContact O-N 3.04Å; Y429-L433 HydrophobicContact CD2-CD1 4.23Å; Y429-L433 HydrophobicContact CE2-CD1 4.43Å; Y429-L433 WeakPolarHBondContact O-CG 3.31Å; Y429-L433 PolarHBondContact O-N 2.99Å; Y429-L433 VanDerWaalsContact O-N 3.07Å; Y429-T464 VanDerWaalsContact CE2-OG1 3.27Å; Y429-T464 WeakPolarHBondContact CE2-OG1 3.37Å; Y429-T464 PolarHBondContact OH-OG1 2.79Å; Y429-R465 HydrophobicContact CD1-CB 3.81Å; Y429-R465 HydrophobicContact CD1-CG 3.75Å; Y429-R465 HydrophobicContact CD2-CB 4.2Å; Y429-R465 HydrophobicContact CE1-CB 3.79Å; Y429-R465 HydrophobicContact CE1-CG 4.15Å; Y429-R465 HydrophobicContact CE2-CB 4.19Å; Y429-R465 HydrophobicContact CG-CB 4.03Å; Y429-R465 HydrophobicContact CG-CG 4.06Å
430S78.1Confident75.8Confident36 Ų3645.3 Ų45.325%0.25224%0.24SC..Hα-helixtrans-69-33.417868.60000111.4H427 S428 A432 L433 T434H427-S430 PolarHBondContact O-N 2.9Å; H427-S430 PolarHBondContact O-OG 3.42Å; S428-S430 VanDerWaalsContact C-N 3.28Å; S428-S430 PolarHBondContact O-N 3.05Å; S430-A432 VanDerWaalsContact C-N 3.32Å; S430-A432 PolarHBondContact O-N 2.99Å; S430-L433 PolarHBondContact O-N 3.33Å; S430-T434 PolarHBondContact O-N 3.2Å; S430-T434 PolarHBondContact O-OG1 2.96Å; S430-T434 VanDerWaalsContact O-OG1 3.09Å
431I82.5Confident76.6Confident85 Ų8542.3 Ų42.344%0.43622%0.221SC..Hα-helixtrans-63.6-39.2174.9-57.8174.4000110.4S428 Y429 T434 A435 P530S428-I431 WeakPolarHBondContact O-CB 2.84Å; S428-I431 PolarHBondContact O-N 3.02Å; Y429-I431 VanDerWaalsContact C-N 3.31Å; Y429-I431 PolarHBondContact O-N 3.48Å; I431-T434 WeakPolarHBondContact CA-OG1 3.46Å; I431-T434 PolarHBondContact O-N 2.9Å; I431-T434 PolarHBondContact O-OG1 3.02Å; I431-A435 VanDerWaalsContact O-CB 3.28Å; I431-A435 WeakPolarHBondContact O-CB 3.48Å; I431-A435 PolarHBondContact O-N 2.88Å; I431-P530 HydrophobicContact CG2-CB 4.33Å; I431-P530 HydrophobicContact CG2-CG 4.31Å
432A81.8Confident77.3Confident2 Ų243.1 Ų43.12%0.01723%0.226CC..Hα-helixtrans-67.8-40.5174.500000112.5S428 Y429 S430 A435 M436 P530 L534S428-A432 PolarHBondContact O-N 3.31Å; Y429-A432 PolarHBondContact O-N 3.04Å; S430-A432 VanDerWaalsContact C-N 3.32Å; S430-A432 PolarHBondContact O-N 2.99Å; A432-A435 PolarHBondContact O-N 2.99Å; A432-M436 WeakPolarHBondContact O-CG 3.44Å; A432-M436 PolarHBondContact O-N 2.74Å; A432-M436 VanDerWaalsContact O-N 3.09Å; A432-P530 HydrophobicContact CB-CB 4.39Å; A432-L534 HydrophobicContact CB-CD1 4.1Å; A432-L534 HydrophobicContact CB-CD2 4.23Å
433L85Confident77.9Confident4 Ų444.3 Ų44.32%0.02123%0.228CC..Hα-helixtrans-62.9-43.2173.7-64.8-178.4000111.8Y429 S430 M436 M437 T455 L458Y429-L433 HydrophobicContact CD2-CD1 4.23Å; Y429-L433 HydrophobicContact CE2-CD1 4.43Å; Y429-L433 WeakPolarHBondContact O-CG 3.31Å; Y429-L433 PolarHBondContact O-N 2.99Å; Y429-L433 VanDerWaalsContact O-N 3.07Å; S430-L433 PolarHBondContact O-N 3.33Å; L433-M436 HydrophobicContact CD2-CE 3.58Å; L433-M436 PolarHBondContact O-N 2.79Å; L433-M437 PolarHBondContact O-N 3.19Å; L433-T455 HydrophobicContact CB-CG2 4.32Å; L433-L458 HydrophobicContact CD2-CB 4.3Å; L433-L458 HydrophobicContact CD2-CD1 3.69Å
434T79.6Confident78.5Confident70 Ų7041.5 Ų41.543%0.42922%0.216SC..Hα-helixtrans-68-35175.551.30000112.2S430 I431 M436 M437 T438S430-T434 PolarHBondContact O-N 3.2Å; S430-T434 PolarHBondContact O-OG1 2.96Å; S430-T434 VanDerWaalsContact O-OG1 3.09Å; I431-T434 WeakPolarHBondContact CA-OG1 3.46Å; I431-T434 PolarHBondContact O-N 2.9Å; I431-T434 PolarHBondContact O-OG1 3.02Å; T434-M436 VanDerWaalsContact C-N 3.34Å; T434-M436 PolarHBondContact O-N 3.48Å; T434-M437 WeakPolarHBondContact O-CB 3.27Å; T434-M437 PolarHBondContact O-N 3.27Å; T434-T438 PolarHBondContact O-N 2.89Å; T434-T438 PolarHBondContact O-OG1 3.38Å; T434-T438 VanDerWaalsContact O-OG1 3.07Å
435A82.9Confident79.1Confident9 Ų938.5 Ų38.57%0.07420%0.199CC..Hα-helixtrans-62.9-39.2175.800000112.1I431 A432 T438 W439 L527 P530I431-A435 VanDerWaalsContact O-CB 3.28Å; I431-A435 WeakPolarHBondContact O-CB 3.48Å; I431-A435 PolarHBondContact O-N 2.88Å; A432-A435 PolarHBondContact O-N 2.99Å; A435-T438 WeakPolarHBondContact CA-OG1 3.44Å; A435-T438 PolarHBondContact O-N 3.4Å; A435-T438 PolarHBondContact O-OG1 3.36Å; A435-W439 WeakPolarHBondContact O-CB 3.49Å; A435-W439 PolarHBondContact O-N 3.1Å; A435-L527 HydrophobicContact CB-CD2 4.49Å; A435-P530 HydrophobicContact CB-CG 4.39Å
436M86.4Confident79.8Confident6 Ų638.7 Ų38.73%0.0320%0.199CC..Hα-helixtrans-67.4-40.9172.6-68.4-172.5-59.500112.3A432 L433 T434 W439 A440 L451 I475A432-M436 WeakPolarHBondContact O-CG 3.44Å; A432-M436 PolarHBondContact O-N 2.74Å; A432-M436 VanDerWaalsContact O-N 3.09Å; L433-M436 HydrophobicContact CD2-CE 3.58Å; L433-M436 PolarHBondContact O-N 2.79Å; T434-M436 VanDerWaalsContact C-N 3.34Å; T434-M436 PolarHBondContact O-N 3.48Å; M436-W439 PolarHBondContact O-N 2.94Å; M436-A440 PolarHBondContact O-N 3.25Å; M436-L451 HydrophobicContact CB-CD2 4.47Å; M436-L451 HydrophobicContact CG-CD2 4.33Å; M436-L451 HydrophobicContact SD-CD2 4.13Å; M436-I475 HydrophobicContact CE-CD1 4.33Å; M436-I475 HydrophobicContact SD-CD1 4.16Å; M436-I475 HydrophobicContact SD-CG1 4.47Å; M436-I475 HydrophobicContact SD-CG2 3.62Å
437M82.2Confident80.3Confident36 Ų3638 Ų3818%0.17720%0.197CC..Hα-helixtrans-59.2-46.3173.1-169.468.491.100111.5L433 T434 A440 L441 L452 T455L433-M437 PolarHBondContact O-N 3.19Å; T434-M437 WeakPolarHBondContact O-CB 3.27Å; T434-M437 PolarHBondContact O-N 3.27Å; M437-A440 PolarHBondContact O-N 3.28Å; M437-L441 HydrophobicContact CG-CD1 4.23Å; M437-L441 WeakPolarHBondContact O-CG 3.37Å; M437-L441 PolarHBondContact O-N 3.24Å; M437-L441 VanDerWaalsContact O-N 3.1Å; M437-L452 HydrophobicContact CE-CD1 4.15Å; M437-L452 HydrophobicContact SD-CD1 3.32Å; M437-L452 WeakPolarHBondContact SD-CD1 3.26Å; M437-T455 HydrophobicContact CB-CG2 4.31Å; M437-T455 HydrophobicContact CE-CG2 3.67Å; M437-T455 HydrophobicContact SD-CG2 4.48Å
438T80.4Confident80.7Confident53 Ų5334.9 Ų34.933%0.32518%0.182SC..Hα-helixtrans-67.9-34.1177.649.80000112.5T434 A435 L441 L442T434-T438 PolarHBondContact O-N 2.89Å; T434-T438 PolarHBondContact O-OG1 3.38Å; T434-T438 VanDerWaalsContact O-OG1 3.07Å; A435-T438 WeakPolarHBondContact CA-OG1 3.44Å; A435-T438 PolarHBondContact O-N 3.4Å; A435-T438 PolarHBondContact O-OG1 3.36Å; T438-L441 PolarHBondContact O-N 3.03Å; T438-L442 VanDerWaalsContact O-CB 3.28Å; T438-L442 WeakPolarHBondContact O-CB 3.37Å; T438-L442 WeakPolarHBondContact O-CD1 3.36Å; T438-L442 WeakPolarHBondContact O-CG 3.4Å; T438-L442 PolarHBondContact O-N 2.88Å
439W85.6Confident81Confident14 Ų1436 Ų365%0.05319%0.187CC..Hα-helixtrans-60.9-46.2172.7-171.7-59.8000110.9A435 M436 L441 L442 Y443 L451 L482 Q524 L527 T528A435-W439 WeakPolarHBondContact O-CB 3.49Å; A435-W439 PolarHBondContact O-N 3.1Å; M436-W439 PolarHBondContact O-N 2.94Å; W439-L441 VanDerWaalsContact C-N 3.3Å; W439-L441 PolarHBondContact O-N 3.32Å; W439-L442 PolarHBondContact O-N 3.43Å; W439-Y443 HydrophobicContact CG-CD2 4.38Å; W439-Y443 PolarHBondContact O-N 3.5Å; W439-L451 HydrophobicContact CB-CD1 4.24Å; W439-L451 HydrophobicContact CG-CD1 3.96Å; W439-L482 HydrophobicContact CZ2-CB 4.33Å; W439-L482 HydrophobicContact CZ2-CD1 4.4Å; W439-Q524 HydrophobicContact CH2-CB 3.62Å; W439-Q524 HydrophobicContact CH2-CG 3.62Å; W439-Q524 HydrophobicContact CZ2-CB 4.38Å; W439-Q524 HydrophobicContact CZ2-CG 3.88Å; W439-Q524 HydrophobicContact CZ3-CB 3.88Å; W439-Q524 HydrophobicContact CZ3-CG 4.06Å; W439-L527 HydrophobicContact CE3-CB 3.8Å; W439-L527 HydrophobicContact CE3-CD1 4.11Å; W439-L527 HydrophobicContact CZ3-CB 4.13Å; W439-T528 HydrophobicContact CH2-CG2 4.28Å; W439-T528 HydrophobicContact CZ3-CG2 3.81Å
440A81.3Confident81.2Confident0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-63.7-32.3178.700000113.8M436 M437 G448 L451 L452 Y665M436-A440 PolarHBondContact O-N 3.25Å; M437-A440 PolarHBondContact O-N 3.28Å; A440-G448 WeakPolarHBondContact CB-O 3.36Å; A440-L451 HydrophobicContact CB-CB 4.17Å; A440-L452 HydrophobicContact CB-CB 3.91Å; A440-Y665 PolarHBondContact O-OH 3.44Å
441L76.8Confident81.6Confident26 Ų2636.9 Ų36.914%0.13619%0.191CC..Hα-helixtrans-83-33.9177.9-67.5170.8000113.2M437 T438 W439 F705 I712M437-L441 HydrophobicContact CG-CD1 4.23Å; M437-L441 WeakPolarHBondContact O-CG 3.37Å; M437-L441 PolarHBondContact O-N 3.24Å; M437-L441 VanDerWaalsContact O-N 3.1Å; T438-L441 PolarHBondContact O-N 3.03Å; W439-L441 VanDerWaalsContact C-N 3.3Å; W439-L441 PolarHBondContact O-N 3.32Å; L441-F705 HydrophobicContact CB-CD2 4.5Å; L441-F705 HydrophobicContact CD1-CE2 4.45Å; L441-I712 HydrophobicContact CD1-CD1 4.23Å
442L75.5Confident81.7Confident100 Ų10033.1 Ų33.152%0.52417%0.171SC..Hα-helixtrans-77.1-34.3179.2-72.9168.9000112.9T438 W439 L527T438-L442 VanDerWaalsContact O-CB 3.28Å; T438-L442 WeakPolarHBondContact O-CB 3.37Å; T438-L442 WeakPolarHBondContact O-CD1 3.36Å; T438-L442 WeakPolarHBondContact O-CG 3.4Å; T438-L442 PolarHBondContact O-N 2.88Å; W439-L442 PolarHBondContact O-N 3.43Å; L442-L527 HydrophobicContact CD1-CD1 4.06Å
443Y74.3Confident81.8Confident54 Ų5436.8 Ų36.821%0.21219%0.19CC..SBendtrans-121.579.3-175.8-59.1-67.7000110.3W439 S445 I520 V523 Q524W439-Y443 HydrophobicContact CG-CD2 4.38Å; W439-Y443 PolarHBondContact O-N 3.5Å; Y443-S445 PolarHBondContact O-N 3.25Å; Y443-S445 PolarHBondContact O-OG 3.46Å; Y443-S445 VanDerWaalsContact O-OG 3.09Å; Y443-I520 HydrophobicContact CE1-CG1 4.49Å; Y443-I520 HydrophobicContact CE1-CG2 4.13Å; Y443-V523 HydrophobicContact CE2-CG1 4.49Å; Y443-V523 WeakPolarHBondContact OH-CG1 3.32Å; Y443-Q524 HydrophobicContact CD2-CG 4.48Å; Y443-Q524 HydrophobicContact CE2-CG 3.71Å
444H76.4Confident81.8Confident64 Ų6439.2 Ų39.230%0.29620%0.203SC..  trans-60.1109.8180-179.262.3000111Y665 F669H444-Y665 AromaticContact CE1-CE1 3.93Å; H444-Y665 AromaticContact ND1-CE1 3.77Å; H444-Y665 AromaticContact ND1-CE2 3.93Å; H444-Y665 AromaticContact ND1-CZ 3.47Å; H444-Y665 PolarHBondContact ND1-OH 3.45Å; H444-F669 AromaticContact CE1-CD2 3.98Å; H444-F669 AromaticContact CE1-CE1 3.86Å; H444-F669 AromaticContact CE1-CE2 3.64Å; H444-F669 AromaticContact CE1-CZ 3.58Å; H444-F669 AromaticContact NE2-CD1 3.74Å; H444-F669 AromaticContact NE2-CE1 3.71Å; H444-F669 AromaticContact NE2-CG 3.97Å; H444-F669 AromaticContact NE2-CZ 3.92Å
445S78.6Confident82Confident11 Ų1136 Ų368%0.07718%0.182CC..SBendtrans-160.3164.6-177.856.90000109.5Y443 F447 G448 L449 G507Y443-S445 PolarHBondContact O-N 3.25Å; Y443-S445 PolarHBondContact O-OG 3.46Å; Y443-S445 VanDerWaalsContact O-OG 3.09Å; S445-F447 PolarHBondContact O-N 3.49Å; S445-G448 PolarHBondContact O-N 3.42Å; S445-G448 VanDerWaalsContact O-N 3.11Å; S445-G448 PolarHBondContact OG-N 3.21Å; S445-L449 PolarHBondContact O-N 3.28Å; S445-G507 WeakPolarHBondContact CB-O 3.42Å
446I82.3Confident81.9Confident55 Ų5536.9 Ų36.928%0.28219%0.188SC..Hα-helixtrans-60.9-34.1171-64.3-175.5000110.5L449 I450 F505 V506 F669I446-L449 WeakPolarHBondContact O-CB 3.4Å; I446-L449 PolarHBondContact O-N 3.21Å; I446-I450 PolarHBondContact O-N 2.92Å; I446-F505 HydrophobicContact CD1-CD1 4.21Å; I446-F505 HydrophobicContact CD1-CE1 4.02Å; I446-F505 WeakPolarHBondContact CD1-O 3.41Å; I446-V506 PolarHBondContact N-O 3.4Å; I446-F669 HydrophobicContact CG1-CE1 3.86Å; I446-F669 HydrophobicContact CG1-CZ 4.07Å
447F83Confident81.7Confident61 Ų6140.4 Ų40.427%0.26821%0.206SC..Hα-helixtrans-67-35.2174.3-61.8-54.5000112.7S445 I450 Y478 L482 V506 I508S445-F447 PolarHBondContact O-N 3.49Å; F447-I450 PolarHBondContact O-N 3.28Å; F447-Y478 WeakPolarHBondContact CB-OH 3.2Å; F447-Y478 VanDerWaalsContact CD1-OH 3.29Å; F447-Y478 WeakPolarHBondContact CD1-OH 3.46Å; F447-L482 HydrophobicContact CB-CD2 4.35Å; F447-L482 HydrophobicContact CG-CD2 4.36Å; F447-V506 HydrophobicContact CD2-CG1 3.99Å; F447-V506 HydrophobicContact CE2-CG1 3.48Å; F447-V506 VanDerWaalsContact CE2-CG1 3.48Å; F447-V506 HydrophobicContact CZ-CG1 4.13Å; F447-I508 HydrophobicContact CD2-CD1 3.96Å; F447-I508 HydrophobicContact CE2-CD1 3.67Å
448G80.3Confident81.7Confident0 Ų038.9 Ų38.90%020%0.198CC..Hα-helixtrans-64.6-41.6169.500000113.3A440 S445 I450 L451 L452A440-G448 WeakPolarHBondContact CB-O 3.36Å; S445-G448 PolarHBondContact O-N 3.42Å; S445-G448 VanDerWaalsContact O-N 3.11Å; S445-G448 PolarHBondContact OG-N 3.21Å; G448-I450 PolarHBondContact O-N 3.05Å; G448-L451 WeakPolarHBondContact O-CB 3.38Å; G448-L451 PolarHBondContact O-N 3.01Å; G448-L452 PolarHBondContact O-N 3.44Å
449L84.6Confident81.7Confident34 Ų3439.7 Ų39.718%0.17820%0.196CC..Hα-helixtrans-56.7-38177.2178.960.2000112.3S445 I446 L451 L452 I453 Y665 F669S445-L449 PolarHBondContact O-N 3.28Å; I446-L449 WeakPolarHBondContact O-CB 3.4Å; I446-L449 PolarHBondContact O-N 3.21Å; L449-L451 PolarHBondContact O-N 3.31Å; L449-L452 HydrophobicContact CD1-CD2 4.44Å; L449-L452 PolarHBondContact O-N 3.03Å; L449-I453 HydrophobicContact CD1-CD1 3.81Å; L449-I453 HydrophobicContact CD1-CG1 4.01Å; L449-I453 HydrophobicContact CD2-CD1 4.49Å; L449-I453 HydrophobicContact CG-CD1 3.83Å; L449-I453 HydrophobicContact CG-CG1 4.41Å; L449-I453 WeakPolarHBondContact O-CB 3.44Å; L449-I453 WeakPolarHBondContact O-CG1 3.12Å; L449-I453 PolarHBondContact O-N 3.17Å; L449-Y665 HydrophobicContact CB-CE1 3.95Å; L449-Y665 HydrophobicContact CD1-CD1 3.84Å; L449-Y665 HydrophobicContact CD1-CE1 3.84Å; L449-Y665 HydrophobicContact CG-CE1 4.43Å; L449-F669 HydrophobicContact CD2-CE2 4.44Å
450I86.6Confident81.3Confident88 Ų8843.9 Ų43.945%0.45122%0.218SC..Hα-helixtrans-62.4-42.5176.4-63170.8000110.9I446 F447 G448 L454I446-I450 PolarHBondContact O-N 2.92Å; F447-I450 PolarHBondContact O-N 3.28Å; G448-I450 PolarHBondContact O-N 3.05Å; I450-L454 WeakPolarHBondContact O-CB 3.35Å; I450-L454 PolarHBondContact O-N 3.41Å
451L86.5Confident81.2Confident3 Ų348.9 Ų48.92%0.01624%0.24CC..Hα-helixtrans-67.3-38.4176.7-65.4174.4000112.3M436 W439 A440 G448 L449 T455 Y478M436-L451 HydrophobicContact CB-CD2 4.47Å; M436-L451 HydrophobicContact CG-CD2 4.33Å; M436-L451 HydrophobicContact SD-CD2 4.13Å; W439-L451 HydrophobicContact CB-CD1 4.24Å; W439-L451 HydrophobicContact CG-CD1 3.96Å; A440-L451 HydrophobicContact CB-CB 4.17Å; G448-L451 WeakPolarHBondContact O-CB 3.38Å; G448-L451 PolarHBondContact O-N 3.01Å; L449-L451 PolarHBondContact O-N 3.31Å; L451-T455 WeakPolarHBondContact O-CB 3.12Å; L451-T455 PolarHBondContact O-N 2.92Å; L451-T455 PolarHBondContact O-OG1 3.26Å; L451-Y478 HydrophobicContact CD2-CD1 4.35Å; L451-Y478 HydrophobicContact CD2-CE1 4.14Å; L451-Y478 HydrophobicContact CG-CE1 4.34Å
452L84.6Confident81Confident5 Ų558.8 Ų58.83%0.02628%0.276CS..Hα-helixtrans-62.5-53.5175.2173.859000111.5M437 A440 G448 L449 L454 T455 C456 Y665M437-L452 HydrophobicContact CE-CD1 4.15Å; M437-L452 HydrophobicContact SD-CD1 3.32Å; M437-L452 WeakPolarHBondContact SD-CD1 3.26Å; A440-L452 HydrophobicContact CB-CB 3.91Å; G448-L452 PolarHBondContact O-N 3.44Å; L449-L452 HydrophobicContact CD1-CD2 4.44Å; L449-L452 PolarHBondContact O-N 3.03Å; L452-L454 PolarHBondContact O-N 3.11Å; L452-T455 PolarHBondContact O-N 3.39Å; L452-T455 VanDerWaalsContact O-N 3.17Å; L452-C456 PolarHBondContact O-N 3.37Å; L452-C456 PolarHBondContact O-SG 2.64Å; L452-Y665 HydrophobicContact CD2-CD1 3.97Å; L452-Y665 HydrophobicContact CD2-CD2 3.59Å; L452-Y665 HydrophobicContact CD2-CE1 4.26Å; L452-Y665 HydrophobicContact CD2-CE2 3.89Å; L452-Y665 HydrophobicContact CD2-CG 3.63Å
453I85.2Confident80.9Confident79 Ų7959.5 Ų59.541%0.40528%0.28SS..Hα-helixtrans-60-47.4178.7-69.5171.7000110.6L449 T455 C456 I457L449-I453 HydrophobicContact CD1-CD1 3.81Å; L449-I453 HydrophobicContact CD1-CG1 4.01Å; L449-I453 HydrophobicContact CD2-CD1 4.49Å; L449-I453 HydrophobicContact CG-CD1 3.83Å; L449-I453 HydrophobicContact CG-CG1 4.41Å; L449-I453 WeakPolarHBondContact O-CB 3.44Å; L449-I453 WeakPolarHBondContact O-CG1 3.12Å; L449-I453 PolarHBondContact O-N 3.17Å; I453-T455 VanDerWaalsContact C-N 3.25Å; I453-T455 PolarHBondContact O-N 3.49Å; I453-C456 PolarHBondContact O-N 3.14Å; I453-I457 HydrophobicContact CG2-CD1 3.66Å; I453-I457 HydrophobicContact CG2-CG1 4.41Å; I453-I457 WeakPolarHBondContact O-CG1 3.42Å; I453-I457 PolarHBondContact O-N 3.23Å
454L85.4Confident81.2Confident56 Ų5658 Ų5829%0.29328%0.276SS..Hα-helixtrans-58.3-40.1177.6-176.863.9000111.2I450 L452 L458I450-L454 WeakPolarHBondContact O-CB 3.35Å; I450-L454 PolarHBondContact O-N 3.41Å; L452-L454 PolarHBondContact O-N 3.11Å; L454-L458 HydrophobicContact CD1-CD1 4.13Å; L454-L458 HydrophobicContact CD1-CG 4.3Å; L454-L458 HydrophobicContact CG-CD1 3.86Å; L454-L458 HydrophobicContact CG-CG 4.42Å; L454-L458 VanDerWaalsContact O-CB 3.27Å; L454-L458 WeakPolarHBondContact O-CB 3.19Å; L454-L458 WeakPolarHBondContact O-CG 3.38Å; L454-L458 PolarHBondContact O-N 3.4Å
455T83.6Confident81.4Confident1 Ų157.9 Ų57.91%0.00627%0.273CS..Hα-helixtrans-69.7-45.9178.6-54.20000111.9L433 M437 L451 L452 I453 I457 L458 W459L433-T455 HydrophobicContact CB-CG2 4.32Å; M437-T455 HydrophobicContact CB-CG2 4.31Å; M437-T455 HydrophobicContact CE-CG2 3.67Å; M437-T455 HydrophobicContact SD-CG2 4.48Å; L451-T455 WeakPolarHBondContact O-CB 3.12Å; L451-T455 PolarHBondContact O-N 2.92Å; L451-T455 PolarHBondContact O-OG1 3.26Å; L452-T455 PolarHBondContact O-N 3.39Å; L452-T455 VanDerWaalsContact O-N 3.17Å; I453-T455 VanDerWaalsContact C-N 3.25Å; I453-T455 PolarHBondContact O-N 3.49Å; T455-I457 VanDerWaalsContact C-N 3.33Å; T455-I457 PolarHBondContact O-N 3.02Å; T455-L458 PolarHBondContact O-N 3.48Å; T455-W459 VanDerWaalsContact O-CD1 3.29Å; T455-W459 PolarHBondContact O-N 3Å
456C79.8Confident81.5Confident28 Ų2865.3 Ų65.319%0.18930%0.304CS..Hα-helixtrans-57.2-44.6175.8-71.70000112L452 I453 W459 I460L452-C456 PolarHBondContact O-N 3.37Å; L452-C456 PolarHBondContact O-SG 2.64Å; I453-C456 PolarHBondContact O-N 3.14Å; C456-W459 PolarHBondContact O-N 2.96Å; C456-I460 WeakPolarHBondContact O-CG1 3.23Å; C456-I460 PolarHBondContact O-N 2.66Å
457I82.5Confident81.6Confident80 Ų8064.2 Ų64.241%0.4130%0.301SS..Hα-helixtrans-64.8-45.8176.1-66.9171000111.2I453 T455 W459 I460 F461I453-I457 HydrophobicContact CG2-CD1 3.66Å; I453-I457 HydrophobicContact CG2-CG1 4.41Å; I453-I457 WeakPolarHBondContact O-CG1 3.42Å; I453-I457 PolarHBondContact O-N 3.23Å; T455-I457 VanDerWaalsContact C-N 3.33Å; T455-I457 PolarHBondContact O-N 3.02Å; I457-W459 PolarHBondContact O-N 3.45Å; I457-I460 PolarHBondContact O-N 3.4Å; I457-I460 VanDerWaalsContact O-N 3.16Å; I457-F461 HydrophobicContact CG2-CD2 4.43Å; I457-F461 HydrophobicContact CG2-CE2 3.64Å; I457-F461 HydrophobicContact CG2-CZ 3.93Å; I457-F461 WeakPolarHBondContact O-CD2 3.47Å; I457-F461 PolarHBondContact O-N 3.28Å
458L83.1Confident81.6Confident4 Ų461.4 Ų61.42%0.02129%0.289CS..Hα-helixtrans-61.6-27.4178.8-75.8172.1000113.1L433 L454 T455 F461 T464 S467L433-L458 HydrophobicContact CD2-CB 4.3Å; L433-L458 HydrophobicContact CD2-CD1 3.69Å; L454-L458 HydrophobicContact CD1-CD1 4.13Å; L454-L458 HydrophobicContact CD1-CG 4.3Å; L454-L458 HydrophobicContact CG-CD1 3.86Å; L454-L458 HydrophobicContact CG-CG 4.42Å; L454-L458 VanDerWaalsContact O-CB 3.27Å; L454-L458 WeakPolarHBondContact O-CB 3.19Å; L454-L458 WeakPolarHBondContact O-CG 3.38Å; L454-L458 PolarHBondContact O-N 3.4Å; T455-L458 PolarHBondContact O-N 3.48Å; L458-F461 HydrophobicContact CD2-CD2 4.48Å; L458-T464 WeakPolarHBondContact O-CG2 3.49Å; L458-S467 VanDerWaalsContact CD2-OG 3.23Å; L458-S467 WeakPolarHBondContact CD2-OG 3.14Å
459W80.3Confident81.9Confident71 Ų7162.9 Ų62.927%0.26930%0.296SS..Hα-helixtrans-80.5-30.7174.6-88.279.4000114.3T455 C456 I457 F461 K723T455-W459 VanDerWaalsContact O-CD1 3.29Å; T455-W459 PolarHBondContact O-N 3Å; C456-W459 PolarHBondContact O-N 2.96Å; I457-W459 PolarHBondContact O-N 3.45Å; W459-F461 VanDerWaalsContact C-N 3.3Å; W459-F461 PolarHBondContact O-N 3Å; W459-K723 PolarHBondContact O-NZ 3.49Å
460I77.8Confident81.9Confident102 Ų10264.5 Ų64.552%0.52331%0.314SS..Hα-helixtrans-67.2-32.8177.7-70.2164.9000111.1C456 I457C456-I460 WeakPolarHBondContact O-CG1 3.23Å; C456-I460 PolarHBondContact O-N 2.66Å; I457-I460 PolarHBondContact O-N 3.4Å; I457-I460 VanDerWaalsContact O-N 3.16Å
461F78.3Confident81.9Confident104 Ų10464.2 Ų64.246%0.45631%0.312SS..SBendtrans-59.5151.5178.2-69.4-51.5000114.2I457 L458 W459 K723I457-F461 HydrophobicContact CG2-CD2 4.43Å; I457-F461 HydrophobicContact CG2-CE2 3.64Å; I457-F461 HydrophobicContact CG2-CZ 3.93Å; I457-F461 WeakPolarHBondContact O-CD2 3.47Å; I457-F461 PolarHBondContact O-N 3.28Å; L458-F461 HydrophobicContact CD2-CD2 4.48Å; W459-F461 VanDerWaalsContact C-N 3.3Å; W459-F461 PolarHBondContact O-N 3Å; F461-K723 PolarHBondContact O-NZ 3.25Å
462R71.9Confident81.8Confident235 Ų23564 Ų6489%0.88731%0.311SS*.SBendtrans-69.2-43178.7-177.6171.8164164-4.5112.8
463D74.2Confident81.8Confident114 Ų11466.2 Ų66.261%0.6133%0.326SS*.  trans-114.278.6-178.2-76.9-13.8000112.4
464T79.8Confident81.9Confident23 Ų2367.2 Ų67.214%0.14133%0.331CS..Hα-helixtrans-60.7-49.8-173.156.90000114.3Y429 L458 K466 S467 S468Y429-T464 VanDerWaalsContact CE2-OG1 3.27Å; Y429-T464 WeakPolarHBondContact CE2-OG1 3.37Å; Y429-T464 PolarHBondContact OH-OG1 2.79Å; L458-T464 WeakPolarHBondContact O-CG2 3.49Å; T464-K466 PolarHBondContact O-N 3.15Å; T464-S467 PolarHBondContact O-N 2.81Å; T464-S468 PolarHBondContact O-N 3.2Å; T464-S468 VanDerWaalsContact O-N 3.09Å
465R80.6Confident82Confident61 Ų6165.1 Ų65.123%0.2332%0.32CS..Hα-helixtrans-56.7-45.4-175.6-179.3177.2165.5-134.3-8.9113Y429 S467 S468 F469 E541Y429-R465 HydrophobicContact CD1-CB 3.81Å; Y429-R465 HydrophobicContact CD1-CG 3.75Å; Y429-R465 HydrophobicContact CD2-CB 4.2Å; Y429-R465 HydrophobicContact CE1-CB 3.79Å; Y429-R465 HydrophobicContact CE1-CG 4.15Å; Y429-R465 HydrophobicContact CE2-CB 4.19Å; Y429-R465 HydrophobicContact CG-CB 4.03Å; Y429-R465 HydrophobicContact CG-CG 4.06Å; R465-S467 VanDerWaalsContact C-N 3.33Å; R465-S467 PolarHBondContact O-N 3.17Å; R465-S468 PolarHBondContact O-N 3.44Å; R465-S468 PolarHBondContact O-OG 3.48Å; R465-F469 HydrophobicContact CG-CD2 4.33Å; R465-F469 HydrophobicContact CG-CE1 4.36Å; R465-F469 HydrophobicContact CG-CE2 4.01Å; R465-F469 HydrophobicContact CG-CZ 4.02Å; R465-F469 PolarHBondContact O-N 3.45Å; R465-F469 VanDerWaalsContact O-N 3.12Å; R465-E541 IonicContact CZ-OE1 3.14Å; R465-E541 IonicContact CZ-OE2 3.81Å; R465-E541 IonicContact NH2-OE1 2.6Å; R465-E541 PolarHBondContact NH2-OE1 2.82Å; R465-E541 IonicContact NH2-OE2 2.73Å; R465-E541 PolarHBondContact NH2-OE2 2.97Å
466K81.2Confident82.1Confident167 Ų16765.3 Ų65.373%0.72632%0.32SS*.Hα-helixtrans-63.7-41-177-173.3-178.9177.5-173.50111.2T464 A470T464-K466 PolarHBondContact O-N 3.15Å; K466-A470 PolarHBondContact O-N 3.45Å
467S83.6Confident82.5Confident32 Ų3270 Ų7022%0.22434%0.341CS..Hα-helixtrans-64.7-45.6176.4-163.10000111.7L458 T464 R465 F469 A470 M471L458-S467 VanDerWaalsContact CD2-OG 3.23Å; L458-S467 WeakPolarHBondContact CD2-OG 3.14Å; T464-S467 PolarHBondContact O-N 2.81Å; R465-S467 VanDerWaalsContact C-N 3.33Å; R465-S467 PolarHBondContact O-N 3.17Å; S467-F469 VanDerWaalsContact C-N 3.35Å; S467-F469 PolarHBondContact O-N 3.07Å; S467-A470 PolarHBondContact O-N 3.43Å; S467-M471 PolarHBondContact O-N 3.08Å
468S84.4Confident82.8Confident2 Ų268.9 Ų68.91%0.01433%0.332CS..Hα-helixtrans-61.4-37.8178.863.70000113.8T464 R465 M471 A472T464-S468 PolarHBondContact O-N 3.2Å; T464-S468 VanDerWaalsContact O-N 3.09Å; R465-S468 PolarHBondContact O-N 3.44Å; R465-S468 PolarHBondContact O-OG 3.48Å; S468-M471 PolarHBondContact O-N 3.17Å; S468-A472 PolarHBondContact O-N 3.42Å; S468-A472 VanDerWaalsContact O-N 3.09Å
469F85.8Confident83.1Confident31 Ų3168.9 Ų68.914%0.13633%0.332CS..Hα-helixtrans-74.2-28.1179.7-73.2-1.1000113.1R465 S467 L534 A538 E541R465-F469 HydrophobicContact CG-CD2 4.33Å; R465-F469 HydrophobicContact CG-CE1 4.36Å; R465-F469 HydrophobicContact CG-CE2 4.01Å; R465-F469 HydrophobicContact CG-CZ 4.02Å; R465-F469 PolarHBondContact O-N 3.45Å; R465-F469 VanDerWaalsContact O-N 3.12Å; S467-F469 VanDerWaalsContact C-N 3.35Å; S467-F469 PolarHBondContact O-N 3.07Å; F469-L534 HydrophobicContact CD1-CD1 3.76Å; F469-L534 HydrophobicContact CD1-CG 4.29Å; F469-L534 HydrophobicContact CE1-CD1 3.59Å; F469-L534 HydrophobicContact CE1-CG 4.46Å; F469-A538 HydrophobicContact CB-CB 4.4Å; F469-E541 VanDerWaalsContact CE2-OE2 3.23Å; F469-E541 WeakPolarHBondContact CE2-OE2 3.35Å
470A84.6Confident83.4Confident68 Ų6867.3 Ų67.356%0.56233%0.328SS*.Hα-helixtrans-68.4-39.117400000111.8K466 S467K466-A470 PolarHBondContact O-N 3.45Å; S467-A470 PolarHBondContact O-N 3.43Å
471M86.8Confident83.9Confident82 Ų8267.9 Ų67.940%0.40433%0.327SS..Hα-helixtrans-85.4-13.7-178.6-65-62.1161.200114.3S467 S468 P473 I474 I475S467-M471 PolarHBondContact O-N 3.08Å; S468-M471 PolarHBondContact O-N 3.17Å; M471-P473 VanDerWaalsContact C-CD 3.47Å; M471-I474 PolarHBondContact O-N 3.09Å; M471-I474 HydrophobicContact SD-CD1 4.05Å; M471-I475 HydrophobicContact CB-CD1 3.74Å; M471-I475 HydrophobicContact CB-CG1 4.21Å; M471-I475 WeakPolarHBondContact O-CG1 3.45Å; M471-I475 PolarHBondContact O-N 3.48Å
472A85.3Confident84.3Confident0 Ų063.7 Ų63.70%031%0.309CS..Hα-helixtrans-44.8-46.6-176.900000116.6S468 L476 L534S468-A472 PolarHBondContact O-N 3.42Å; S468-A472 VanDerWaalsContact O-N 3.09Å; A472-L476 PolarHBondContact O-N 3.12Å; A472-L534 HydrophobicContact CB-CD2 3.72Å; A472-L534 HydrophobicContact CB-CG 3.94Å
473P83.8Confident85Confident51 Ų5152.6 Ų52.633%0.33127%0.267SS..Hα-helixtrans-69.8-32.4179.227.3-34.6000113.3M471 M477 L535M471-P473 VanDerWaalsContact C-CD 3.47Å; P473-M477 WeakPolarHBondContact O-CG 3.22Å; P473-M477 PolarHBondContact O-N 2.7Å; P473-M477 VanDerWaalsContact O-N 3.14Å; P473-L535 HydrophobicContact CB-CD1 4.05Å
474I87.8Confident85.6Confident100 Ų10051.4 Ų51.451%0.51326%0.26SS..Hα-helixtrans-70.6-45.2177.7-58.1175000109.3M471 L476 M477 Y478M471-I474 PolarHBondContact O-N 3.09Å; M471-I474 HydrophobicContact SD-CD1 4.05Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 PolarHBondContact O-N 3.37Å; I474-M477 PolarHBondContact O-N 3.42Å; I474-Y478 WeakPolarHBondContact O-CB 3.47Å; I474-Y478 PolarHBondContact O-N 3.39Å
475I86.1Confident85.9Confident12 Ų1252.9 Ų52.96%0.06227%0.266CS..Hα-helixtrans-58.9-43.4175.8-64.8167.1000110.6M436 M471 Y478 I479 V531M436-I475 HydrophobicContact CE-CD1 4.33Å; M436-I475 HydrophobicContact SD-CD1 4.16Å; M436-I475 HydrophobicContact SD-CG1 4.47Å; M436-I475 HydrophobicContact SD-CG2 3.62Å; M471-I475 HydrophobicContact CB-CD1 3.74Å; M471-I475 HydrophobicContact CB-CG1 4.21Å; M471-I475 WeakPolarHBondContact O-CG1 3.45Å; M471-I475 PolarHBondContact O-N 3.48Å; I475-Y478 PolarHBondContact O-N 2.81Å; I475-I479 HydrophobicContact CG2-CD1 3.8Å; I475-I479 WeakPolarHBondContact O-CB 3.44Å; I475-I479 WeakPolarHBondContact O-CG1 3.26Å; I475-I479 PolarHBondContact O-N 3.49Å; I475-V531 HydrophobicContact CG2-CG1 3.85Å
476L87.2Confident86.1Confident4 Ų451.5 Ų51.52%0.02126%0.263CS..Hα-helixtrans-65.9-45.8178.8-172.667000112.4A472 I474 Y478 I479 E480 V531 F532 L535A472-L476 PolarHBondContact O-N 3.12Å; I474-L476 VanDerWaalsContact C-N 3.32Å; I474-L476 PolarHBondContact O-N 3.37Å; L476-Y478 VanDerWaalsContact C-N 3.31Å; L476-Y478 PolarHBondContact O-N 3.39Å; L476-I479 PolarHBondContact O-N 3.37Å; L476-E480 HydrophobicContact CD1-CG 4.43Å; L476-E480 HydrophobicContact CG-CG 4.3Å; L476-E480 WeakPolarHBondContact O-CG 3.48Å; L476-E480 PolarHBondContact O-N 3.29Å; L476-V531 HydrophobicContact CB-CG1 4.15Å; L476-V531 HydrophobicContact CD1-CB 4.35Å; L476-V531 HydrophobicContact CD1-CG1 3.93Å; L476-F532 HydrophobicContact CD1-CD1 3.75Å; L476-F532 HydrophobicContact CD1-CD2 4.34Å; L476-F532 HydrophobicContact CD1-CE1 3.78Å; L476-F532 HydrophobicContact CD1-CE2 4.37Å; L476-F532 HydrophobicContact CD1-CG 4.04Å; L476-F532 HydrophobicContact CD1-CZ 4.1Å; L476-F532 HydrophobicContact CD2-CD1 3.88Å; L476-F532 HydrophobicContact CD2-CE1 4.04Å; L476-F532 HydrophobicContact CG-CD1 4.44Å; L476-F532 HydrophobicContact CG-CE1 4.38Å; L476-L535 HydrophobicContact CD2-CB 4.3Å; L476-L535 HydrophobicContact CD2-CD2 3.42Å; L476-L535 VanDerWaalsContact CD2-CD2 3.42Å; L476-L535 HydrophobicContact CD2-CG 4.49Å
477M87.3Confident86.4Confident126 Ų12644.2 Ų44.262%0.62123%0.231SC*.Hα-helixtrans-62-39.2178-70.2-168.5-49.500112.2P473 I474 I479 E480 F481P473-M477 WeakPolarHBondContact O-CG 3.22Å; P473-M477 PolarHBondContact O-N 2.7Å; P473-M477 VanDerWaalsContact O-N 3.14Å; I474-M477 PolarHBondContact O-N 3.42Å; M477-I479 VanDerWaalsContact C-N 3.32Å; M477-I479 PolarHBondContact O-N 2.96Å; M477-E480 PolarHBondContact O-N 3.05Å; M477-F481 WeakPolarHBondContact O-CB 3.13Å; M477-F481 PolarHBondContact O-N 3.02Å
478Y89.8Confident86.5Confident58 Ų5847.8 Ų47.823%0.22724%0.242CC..Hα-helixtrans-61.8-41.4175.3-177.7-112.4000111.8F447 L451 I474 I475 L476 F481 L482F447-Y478 WeakPolarHBondContact CB-OH 3.2Å; F447-Y478 VanDerWaalsContact CD1-OH 3.29Å; F447-Y478 WeakPolarHBondContact CD1-OH 3.46Å; L451-Y478 HydrophobicContact CD2-CD1 4.35Å; L451-Y478 HydrophobicContact CD2-CE1 4.14Å; L451-Y478 HydrophobicContact CG-CE1 4.34Å; I474-Y478 WeakPolarHBondContact O-CB 3.47Å; I474-Y478 PolarHBondContact O-N 3.39Å; I475-Y478 PolarHBondContact O-N 2.81Å; L476-Y478 VanDerWaalsContact C-N 3.31Å; L476-Y478 PolarHBondContact O-N 3.39Å; Y478-F481 PolarHBondContact O-N 2.98Å; Y478-L482 HydrophobicContact CD1-CD1 4.09Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 WeakPolarHBondContact O-CG 3.2Å; Y478-L482 PolarHBondContact O-N 3.2Å; Y478-L482 VanDerWaalsContact O-N 3.07Å
479I87.8Confident86.2Confident4 Ų448.4 Ų48.42%0.02125%0.245CC..Hα-helixtrans-74.2-37.1178.9-74.8175.3000112.6I475 L476 M477 F481 L482 L483 T528 V531I475-I479 HydrophobicContact CG2-CD1 3.8Å; I475-I479 WeakPolarHBondContact O-CB 3.44Å; I475-I479 WeakPolarHBondContact O-CG1 3.26Å; I475-I479 PolarHBondContact O-N 3.49Å; L476-I479 PolarHBondContact O-N 3.37Å; M477-I479 VanDerWaalsContact C-N 3.32Å; M477-I479 PolarHBondContact O-N 2.96Å; I479-F481 VanDerWaalsContact C-N 3.33Å; I479-L482 PolarHBondContact O-N 3.04Å; I479-L483 PolarHBondContact O-N 3.37Å; I479-T528 HydrophobicContact CG2-CG2 3.17Å; I479-V531 HydrophobicContact CD1-CG1 4.26Å; I479-V531 HydrophobicContact CD1-CG2 3.9Å
480E87.5Confident86Confident37 Ų3747.2 Ų47.217%0.17324%0.241CC..Hα-helixtrans-62.7-40171.7-76.1179.7166.500111.1T221 L476 M477 L483 I484 F532T221-E480 WeakPolarHBondContact CG2-OE1 3.31Å; T221-E480 PolarHBondContact OG1-OE1 3.49Å; L476-E480 HydrophobicContact CD1-CG 4.43Å; L476-E480 HydrophobicContact CG-CG 4.3Å; L476-E480 WeakPolarHBondContact O-CG 3.48Å; L476-E480 PolarHBondContact O-N 3.29Å; M477-E480 PolarHBondContact O-N 3.05Å; E480-L483 PolarHBondContact O-N 3.03Å; E480-I484 WeakPolarHBondContact O-CG1 3.44Å; E480-I484 PolarHBondContact O-N 2.79Å; E480-F532 HydrophobicContact CG-CZ 4.41Å; E480-F532 WeakPolarHBondContact OE1-CE1 3.39Å
481F88.9Confident85.8Confident115 Ų11545.2 Ų45.250%0.50422%0.221SC..Hα-helixtrans-60.8-47.6172.4169.1-100000112.2M477 Y478 I479 L483 I484 L485M477-F481 WeakPolarHBondContact O-CB 3.13Å; M477-F481 PolarHBondContact O-N 3.02Å; Y478-F481 PolarHBondContact O-N 2.98Å; I479-F481 VanDerWaalsContact C-N 3.33Å; F481-L483 VanDerWaalsContact C-N 3.34Å; F481-L483 PolarHBondContact O-N 2.9Å; F481-I484 PolarHBondContact O-N 3.46Å; F481-L485 HydrophobicContact CE1-CD2 4.31Å; F481-L485 HydrophobicContact CZ-CD2 4.39Å; F481-L485 WeakPolarHBondContact O-CB 3.49Å; F481-L485 PolarHBondContact O-N 3.34Å
482L86.9Confident85.1Confident16 Ų1646.6 Ų46.68%0.08423%0.229CC..Hα-helixtrans-61.4-39.4177.1-70.2174.4000112.4W439 F447 Y478 I479 L485 Q486W439-L482 HydrophobicContact CZ2-CB 4.33Å; W439-L482 HydrophobicContact CZ2-CD1 4.4Å; F447-L482 HydrophobicContact CB-CD2 4.35Å; F447-L482 HydrophobicContact CG-CD2 4.36Å; Y478-L482 HydrophobicContact CD1-CD1 4.09Å; Y478-L482 HydrophobicContact CE1-CD1 3.69Å; Y478-L482 WeakPolarHBondContact O-CG 3.2Å; Y478-L482 PolarHBondContact O-N 3.2Å; Y478-L482 VanDerWaalsContact O-N 3.07Å; I479-L482 PolarHBondContact O-N 3.04Å; L482-L485 PolarHBondContact O-N 3.47Å; L482-Q486 WeakPolarHBondContact O-CB 3.37Å; L482-Q486 PolarHBondContact O-N 3.31Å
483L86.5Confident84.5Confident1 Ų147.6 Ų47.61%0.00524%0.235CC..Hα-helixtrans-63.7-41.8175.2-83.6175.8000113.1L217 I479 E480 F481 Y487 Q524 T525 T528L217-L483 HydrophobicContact CD2-CD1 4.35Å; I479-L483 PolarHBondContact O-N 3.37Å; E480-L483 PolarHBondContact O-N 3.03Å; F481-L483 VanDerWaalsContact C-N 3.34Å; F481-L483 PolarHBondContact O-N 2.9Å; L483-Y487 WeakPolarHBondContact O-CB 3.41Å; L483-Y487 PolarHBondContact O-N 2.95Å; L483-Q524 HydrophobicContact CD2-CB 3.79Å; L483-T525 HydrophobicContact CD1-CG2 4.42Å; L483-T525 HydrophobicContact CD2-CG2 3.84Å; L483-T528 HydrophobicContact CD1-CG2 3.63Å; L483-T528 HydrophobicContact CG-CG2 4.13Å
484I87.1Confident83.9Confident90 Ų9048.6 Ų48.646%0.46224%0.235SC..Hα-helixtrans-68.2-41.9178.1-68.4166.5000110.4L217 E480 F481 Y487 F488L217-I484 HydrophobicContact CD1-CG1 4.2Å; E480-I484 WeakPolarHBondContact O-CG1 3.44Å; E480-I484 PolarHBondContact O-N 2.79Å; F481-I484 PolarHBondContact O-N 3.46Å; I484-Y487 PolarHBondContact O-N 3.38Å; I484-F488 PolarHBondContact O-N 3.37Å
485L85.5Confident82.9Confident53 Ų5348 Ų4828%0.27725%0.245SC..Hα-helixtrans-60.3-46.9175.3-177.961.9000111.2F481 L482 Y487 F488 L489 I508F481-L485 HydrophobicContact CE1-CD2 4.31Å; F481-L485 HydrophobicContact CZ-CD2 4.39Å; F481-L485 WeakPolarHBondContact O-CB 3.49Å; F481-L485 PolarHBondContact O-N 3.34Å; L482-L485 PolarHBondContact O-N 3.47Å; L485-Y487 PolarHBondContact O-N 3.49Å; L485-F488 PolarHBondContact O-N 3.27Å; L485-L489 HydrophobicContact CD1-CD1 4.24Å; L485-L489 HydrophobicContact CD1-CG 4.48Å; L485-L489 HydrophobicContact CG-CD1 3.95Å; L485-L489 VanDerWaalsContact O-CG 3.31Å; L485-L489 WeakPolarHBondContact O-CG 3.29Å; L485-L489 PolarHBondContact O-N 3.02Å; L485-I508 HydrophobicContact CD2-CD1 4.42Å
486Q85.4Confident82Confident33 Ų3351.7 Ų51.715%0.15426%0.262CS..Hα-helixtrans-62.1-40.5175.8-170.171.259.700112.3L482 F488 L489 S490 I520 L521L482-Q486 WeakPolarHBondContact O-CB 3.37Å; L482-Q486 PolarHBondContact O-N 3.31Å; Q486-F488 VanDerWaalsContact C-N 3.31Å; Q486-F488 PolarHBondContact O-N 3.23Å; Q486-L489 PolarHBondContact O-N 2.84Å; Q486-S490 WeakPolarHBondContact O-CB 3.38Å; Q486-S490 PolarHBondContact O-N 2.91Å; Q486-S490 PolarHBondContact O-OG 3.27Å; Q486-I520 HydrophobicContact CG-CG2 3.94Å; Q486-L521 HydrophobicContact CB-CD2 4.21Å; Q486-L521 HydrophobicContact CG-CD2 3.89Å
487Y86.8Confident81.1Confident14 Ų1455.7 Ų55.76%0.05528%0.282CS..Hα-helixtrans-61.2-40.9177.4-168.6-94.2000111.5G201 P205 S206 S210 F213 L483 I484 L485 S490 M491 L521G201-Y487 WeakPolarHBondContact O-CE2 3.45Å; G201-Y487 PolarHBondContact O-OH 2.89Å; P205-Y487 HydrophobicContact CB-CE2 4.12Å; S206-Y487 PolarHBondContact O-OH 3.37Å; S210-Y487 WeakPolarHBondContact CA-OH 3.17Å; S210-Y487 PolarHBondContact N-OH 3.05Å; F213-Y487 HydrophobicContact CB-CE2 4.1Å; F213-Y487 HydrophobicContact CD1-CD1 4.4Å; F213-Y487 AromaticContact CD1-CD2 3.72Å; F213-Y487 HydrophobicContact CD1-CD2 3.72Å; F213-Y487 HydrophobicContact CD1-CE2 4.01Å; F213-Y487 AromaticContact CD1-CG 3.95Å; F213-Y487 HydrophobicContact CD1-CG 3.95Å; F213-Y487 HydrophobicContact CD2-CD2 4.42Å; F213-Y487 HydrophobicContact CD2-CE2 4.41Å; F213-Y487 AromaticContact CE1-CD2 3.84Å; F213-Y487 HydrophobicContact CE1-CD2 3.84Å; F213-Y487 AromaticContact CE1-CG 3.96Å; F213-Y487 HydrophobicContact CE1-CG 3.96Å; F213-Y487 HydrophobicContact CG-CD2 4.03Å; F213-Y487 AromaticContact CG-CE2 3.93Å; F213-Y487 HydrophobicContact CG-CE2 3.93Å; F213-Y487 HydrophobicContact CZ-CD2 4.25Å; L483-Y487 WeakPolarHBondContact O-CB 3.41Å; L483-Y487 PolarHBondContact O-N 2.95Å; I484-Y487 PolarHBondContact O-N 3.38Å; L485-Y487 PolarHBondContact O-N 3.49Å; Y487-S490 PolarHBondContact O-N 3.46Å; Y487-S490 PolarHBondContact O-OG 2.85Å; Y487-M491 HydrophobicContact CD1-CE 3.84Å; Y487-M491 HydrophobicContact CE1-CE 3.46Å; Y487-M491 VanDerWaalsContact CE1-CE 3.46Å; Y487-L521 HydrophobicContact CD2-CD1 3.9Å; Y487-L521 HydrophobicContact CD2-CD2 4.39Å; Y487-L521 HydrophobicContact CE2-CD1 4.41Å
488F84.7Confident80Confident106 Ų10651.3 Ų51.347%0.46527%0.27SS..Hα-helixtrans-68.1-45.4175.8-172.1-96.7000112.6I484 L485 Q486 S490 M491 I497I484-F488 PolarHBondContact O-N 3.37Å; L485-F488 PolarHBondContact O-N 3.27Å; Q486-F488 VanDerWaalsContact C-N 3.31Å; Q486-F488 PolarHBondContact O-N 3.23Å; F488-S490 PolarHBondContact O-N 3.45Å; F488-S490 VanDerWaalsContact O-N 3.09Å; F488-M491 PolarHBondContact O-N 2.83Å; F488-M491 VanDerWaalsContact O-N 3.11Å; F488-I497 HydrophobicContact CE1-CD1 4.21Å; F488-I497 HydrophobicContact CZ-CD1 4.33Å
489L79.9Confident78.7Confident15 Ų1554.1 Ų54.18%0.07929%0.288CS..Hα-helixtrans-63.2-12.2175-68.8167.4000113.8L485 Q486 I508 W510L485-L489 HydrophobicContact CD1-CD1 4.24Å; L485-L489 HydrophobicContact CD1-CG 4.48Å; L485-L489 HydrophobicContact CG-CD1 3.95Å; L485-L489 VanDerWaalsContact O-CG 3.31Å; L485-L489 WeakPolarHBondContact O-CG 3.29Å; L485-L489 PolarHBondContact O-N 3.02Å; Q486-L489 PolarHBondContact O-N 2.84Å; L489-I508 HydrophobicContact CD1-CG2 3.52Å; L489-W510 HydrophobicContact CB-CE3 4.48Å; L489-W510 HydrophobicContact CD2-CD2 4.24Å; L489-W510 HydrophobicContact CD2-CE3 3.78Å; L489-W510 HydrophobicContact CD2-CH2 4.13Å; L489-W510 HydrophobicContact CD2-CZ3 3.73Å
490S81Confident77.8Confident7 Ų756.1 Ų56.15%0.04930%0.302CS..THydrogen-bonded Turntrans-97.40.4176.675.50000115.1P205 Q486 Y487 F488 T511P205-S490 WeakPolarHBondContact CB-OG 3.21Å; P205-S490 WeakPolarHBondContact CG-O 3.35Å; Q486-S490 WeakPolarHBondContact O-CB 3.38Å; Q486-S490 PolarHBondContact O-N 2.91Å; Q486-S490 PolarHBondContact O-OG 3.27Å; Y487-S490 PolarHBondContact O-N 3.46Å; Y487-S490 PolarHBondContact O-OG 2.85Å; F488-S490 PolarHBondContact O-N 3.45Å; F488-S490 VanDerWaalsContact O-N 3.09Å; S490-T511 WeakPolarHBondContact CA-OG1 3.35Å
491M79.2Confident76.9Confident26 Ų2658.5 Ų58.513%0.12833%0.328CS..SBendtrans-83.2149.8173.6-64.6-167.817800112.1Y487 F488 I493Y487-M491 HydrophobicContact CD1-CE 3.84Å; Y487-M491 HydrophobicContact CE1-CE 3.46Å; Y487-M491 VanDerWaalsContact CE1-CE 3.46Å; F488-M491 PolarHBondContact O-N 2.83Å; F488-M491 VanDerWaalsContact O-N 3.11Å; M491-I493 HydrophobicContact CB-CD1 3.71Å; M491-I493 HydrophobicContact CB-CG1 3.79Å; M491-I493 HydrophobicContact CG-CD1 4.48Å; M491-I493 PolarHBondContact O-N 3.33Å; M491-I493 HydrophobicContact SD-CD1 3.99Å
492D72.7Confident76.3Confident110 Ų11060.5 Ų60.559%0.58833%0.332SS*.SBendtrans-77.261.8-179.4-169.920.4000112.8
493I72.8Confident75.5Confident21 Ų2160.2 Ų60.211%0.10833%0.331CS..  trans-123.35.7-175.1-41.8176.1000111.3M491 A495 E496 I497M491-I493 HydrophobicContact CB-CD1 3.71Å; M491-I493 HydrophobicContact CB-CG1 3.79Å; M491-I493 HydrophobicContact CG-CD1 4.48Å; M491-I493 PolarHBondContact O-N 3.33Å; M491-I493 HydrophobicContact SD-CD1 3.99Å; I493-A495 PolarHBondContact O-N 2.57Å; I493-A495 VanDerWaalsContact O-N 3.13Å; I493-E496 HydrophobicContact CG2-CB 4.16Å; I493-E496 PolarHBondContact O-N 2.87Å; I493-I497 HydrophobicContact CB-CD1 4.27Å; I493-I497 HydrophobicContact CG2-CD1 3.86Å; I493-I497 HydrophobicContact CG2-CG1 4.18Å
494H70.1Confident74.6Confident73 Ų7366.2 Ų66.234%0.33836%0.362SS..Hα-helixtrans-51.8-40.2-177.4-179.6-78.5000113E496 I497 G498 D499 W510H494-E496 VanDerWaalsContact C-N 3.26Å; H494-E496 PolarHBondContact O-N 3.28Å; H494-I497 PolarHBondContact O-N 3.46Å; H494-G498 PolarHBondContact O-N 2.8Å; H494-D499 IonicContact NE2-OD1 2.96Å; H494-D499 IonicContact NE2-OD2 3.99Å; H494-W510 AromaticContact CD2-CD1 3.8Å; H494-W510 AromaticContact CD2-CG 3.84Å
495A67.1Low73.8Confident87 Ų8768.9 Ų68.972%0.71937%0.371SS*.Hα-helixtrans-67.2-19.1-178.600000114.7I493I493-A495 PolarHBondContact O-N 2.57Å; I493-A495 VanDerWaalsContact O-N 3.13Å
496E68.5Low73.1Confident89 Ų8967.5 Ų67.542%0.41637%0.365SS..Hα-helixtrans-100-15-179.8-76.392.1-157.300114.3R273 I493 H494R273-E496 IonicContact CZ-OE1 2.72Å; R273-E496 IonicContact CZ-OE2 2.69Å; R273-E496 VanDerWaalsContact NH1-CD 3.27Å; R273-E496 IonicContact NH1-OE1 3.36Å; R273-E496 PolarHBondContact NH1-OE1 2.96Å; R273-E496 IonicContact NH1-OE2 3.57Å; R273-E496 PolarHBondContact NH1-OE2 3.43Å; R273-E496 IonicContact NH2-OE1 3.16Å; R273-E496 PolarHBondContact NH2-OE1 3.35Å; I493-E496 HydrophobicContact CG2-CB 4.16Å; I493-E496 PolarHBondContact O-N 2.87Å; H494-E496 VanDerWaalsContact C-N 3.26Å; H494-E496 PolarHBondContact O-N 3.28Å
497I67.1Low72.2Confident88 Ų8867.3 Ų67.345%0.45137%0.371SS..Hα-helixtrans-109.2-39.1-171.1-61.3172.3000113.2F488 I493 H494 W510F488-I497 HydrophobicContact CE1-CD1 4.21Å; F488-I497 HydrophobicContact CZ-CD1 4.33Å; I493-I497 HydrophobicContact CB-CD1 4.27Å; I493-I497 HydrophobicContact CG2-CD1 3.86Å; I493-I497 HydrophobicContact CG2-CG1 4.18Å; H494-I497 PolarHBondContact O-N 3.46Å; I497-W510 HydrophobicContact CB-CH2 4.23Å; I497-W510 HydrophobicContact CB-CZ2 4.36Å; I497-W510 HydrophobicContact CD1-CH2 3.96Å; I497-W510 HydrophobicContact CG2-CH2 3.99Å; I497-W510 HydrophobicContact CG2-CZ2 3.96Å
498G64.8Low71.4Confident35 Ų3567.9 Ų67.936%0.36138%0.375SS..  trans75.5172.5-177.400000115.3H494 P500H494-G498 PolarHBondContact O-N 2.8Å; G498-P500 VanDerWaalsContact O-CD 3.29Å; G498-P500 WeakPolarHBondContact O-CD 3.34Å
499D62.9Low70.6Confident116 Ų11668.4 Ų68.462%0.6238%0.379SS*.  trans-101.9105.7-173.7-73.7-37.5000113.2H494 W510H494-D499 IonicContact NE2-OD1 2.96Å; H494-D499 IonicContact NE2-OD2 3.99Å; D499-W510 PolarHBondContact OD1-NE1 2.84Å
500P68.1Low70.4Confident47 Ų4769.7 Ų69.731%0.30538%0.383SS..  trans-87.4132.8176.235.4-35.4000111.8G498 W502 M503G498-P500 VanDerWaalsContact O-CD 3.29Å; G498-P500 WeakPolarHBondContact O-CD 3.34Å; P500-W502 HydrophobicContact CG-CD2 4.49Å; P500-W502 HydrophobicContact CG-CZ2 4Å; P500-W502 PolarHBondContact O-N 3.2Å; P500-M503 HydrophobicContact CG-CG 4.19Å; P500-M503 HydrophobicContact CG-SD 4Å; P500-M503 PolarHBondContact O-N 2.8Å
501A69.6Low69.9Low87 Ų8770.5 Ų70.572%0.71939%0.388SS*.THydrogen-bonded Turntrans-55.4-19.3-17300000116.1M503A501-M503 VanDerWaalsContact C-N 3.31Å; A501-M503 PolarHBondContact O-N 3.47Å
502W75.4Confident69.3Low157 Ų15774.4 Ų74.460%0.59541%0.413SS*.Hα-helixtrans-70-23.3175.864.1-99.9000113.4P500 F505 V506P500-W502 HydrophobicContact CG-CD2 4.49Å; P500-W502 HydrophobicContact CG-CZ2 4Å; P500-W502 PolarHBondContact O-N 3.2Å; W502-F505 PolarHBondContact O-N 3Å; W502-V506 HydrophobicContact CE3-CG2 4.21Å; W502-V506 WeakPolarHBondContact O-CG2 3.48Å; W502-V506 PolarHBondContact O-N 3.4Å
503M70.3Confident69.1Low10 Ų1072.1 Ų72.15%0.04940%0.401CS..Hα-helixtrans-63.5-42177.3-83.4178.558.100112.2P500 A501 F505 V506 G507 I508 W510P500-M503 HydrophobicContact CG-CG 4.19Å; P500-M503 HydrophobicContact CG-SD 4Å; P500-M503 PolarHBondContact O-N 2.8Å; A501-M503 VanDerWaalsContact C-N 3.31Å; A501-M503 PolarHBondContact O-N 3.47Å; M503-F505 VanDerWaalsContact C-N 3.29Å; M503-F505 PolarHBondContact O-N 2.9Å; M503-V506 PolarHBondContact O-N 3.18Å; M503-G507 PolarHBondContact O-N 3.16Å; M503-I508 HydrophobicContact CE-CG2 4.13Å; M503-I508 WeakPolarHBondContact CE-O 3.31Å; M503-I508 PolarHBondContact O-N 2.9Å; M503-W510 HydrophobicContact CE-CD2 4.27Å; M503-W510 HydrophobicContact CE-CG 4.15Å; M503-W510 HydrophobicContact SD-CZ2 4.42Å
504N68.4Low69Low126 Ų12672.9 Ų72.967%0.67441%0.407SS*.Hα-helixtrans-66.2-28.6175.7-71.7-12.2000113.1
505F70.3Confident69.3Low147 Ų14770.7 Ų70.765%0.64540%0.398SS*.Hα-helixtrans-76.4-35.9174.6-178.4-96.2000112.3I446 W502 M503I446-F505 HydrophobicContact CD1-CD1 4.21Å; I446-F505 HydrophobicContact CD1-CE1 4.02Å; I446-F505 WeakPolarHBondContact CD1-O 3.41Å; W502-F505 PolarHBondContact O-N 3Å; M503-F505 VanDerWaalsContact C-N 3.29Å; M503-F505 PolarHBondContact O-N 2.9Å
506V71.1Confident69.7Low24 Ų2470.9 Ų70.915%0.14538%0.384CS..Hα-helixtrans-82-23.9-178.6175.50000112.7I446 F447 W502 M503 I508I446-V506 PolarHBondContact N-O 3.4Å; F447-V506 HydrophobicContact CD2-CG1 3.99Å; F447-V506 HydrophobicContact CE2-CG1 3.48Å; F447-V506 VanDerWaalsContact CE2-CG1 3.48Å; F447-V506 HydrophobicContact CZ-CG1 4.13Å; W502-V506 HydrophobicContact CE3-CG2 4.21Å; W502-V506 WeakPolarHBondContact O-CG2 3.48Å; W502-V506 PolarHBondContact O-N 3.4Å; M503-V506 PolarHBondContact O-N 3.18Å; V506-I508 HydrophobicContact CG1-CD1 4.09Å; V506-I508 HydrophobicContact CG1-CG1 4.2Å
507G66.1Low70.1Confident28 Ų2866.7 Ų66.729%0.28937%0.365SS..THydrogen-bonded Turntrans83.248.8-177.500000112.6S445 M503S445-G507 WeakPolarHBondContact CB-O 3.42Å; M503-G507 PolarHBondContact O-N 3.16Å
508I69.1Low70.9Confident27 Ų2763.3 Ų63.314%0.13835%0.349CS..  trans-124.8127.4173.2-63.9179.4000108.5F447 L485 L489 M503 V506F447-I508 HydrophobicContact CD2-CD1 3.96Å; F447-I508 HydrophobicContact CE2-CD1 3.67Å; L485-I508 HydrophobicContact CD2-CD1 4.42Å; L489-I508 HydrophobicContact CD1-CG2 3.52Å; M503-I508 HydrophobicContact CE-CG2 4.13Å; M503-I508 WeakPolarHBondContact CE-O 3.31Å; M503-I508 PolarHBondContact O-N 2.9Å; V506-I508 HydrophobicContact CG1-CD1 4.09Å; V506-I508 HydrophobicContact CG1-CG1 4.2Å
509E68.8Low71.7Confident117 Ų11766 Ų6655%0.54735%0.354SS..  trans-120.2145.4-179.6-62.5178.5175.800109.9R696E509-R696 IonicContact OE1-CZ 3.18Å; E509-R696 IonicContact OE1-NH1 2.72Å; E509-R696 IonicContact OE1-NH2 2.74Å; E509-R696 PolarHBondContact OE1-NH2 2.8Å
510W74.7Confident72.7Confident41 Ų4162.1 Ų62.116%0.15533%0.333CS..  trans-73.9145.3177.2-64.4103000111.8L489 H494 I497 D499 M503L489-W510 HydrophobicContact CB-CE3 4.48Å; L489-W510 HydrophobicContact CD2-CD2 4.24Å; L489-W510 HydrophobicContact CD2-CE3 3.78Å; L489-W510 HydrophobicContact CD2-CH2 4.13Å; L489-W510 HydrophobicContact CD2-CZ3 3.73Å; H494-W510 AromaticContact CD2-CD1 3.8Å; H494-W510 AromaticContact CD2-CG 3.84Å; I497-W510 HydrophobicContact CB-CH2 4.23Å; I497-W510 HydrophobicContact CB-CZ2 4.36Å; I497-W510 HydrophobicContact CD1-CH2 3.96Å; I497-W510 HydrophobicContact CG2-CH2 3.99Å; I497-W510 HydrophobicContact CG2-CZ2 3.96Å; D499-W510 PolarHBondContact OD1-NE1 2.84Å; M503-W510 HydrophobicContact CE-CD2 4.27Å; M503-W510 HydrophobicContact CE-CG 4.15Å; M503-W510 HydrophobicContact SD-CZ2 4.42Å
511T71.6Confident73.5Confident24 Ų2460 Ų6015%0.14732%0.318CS..  trans-103.498177.562.60000111.7S490 I520S490-T511 WeakPolarHBondContact CA-OG1 3.35Å; T511-I520 HydrophobicContact CG2-CD1 3.67Å
512T65.6Low74.2Confident108 Ų10858.5 Ų58.566%0.66330%0.302SS*.  trans-78.5-22.9-179.254.20000114.3
513L69.8Low74.7Confident63 Ų6353.4 Ų53.433%0.3329%0.289SS..SBendtrans-95.9127.6-176.9-74.3123000112M305 V515 H516 A517M305-L513 HydrophobicContact CB-CD2 4.29Å; M305-L513 HydrophobicContact SD-CD2 3.79Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 3.45Å; L513-H516 HydrophobicContact CB-CB 4.13Å; L513-H516 VanDerWaalsContact CB-ND1 3.29Å; L513-H516 WeakPolarHBondContact CB-ND1 3.3Å; L513-H516 PolarHBondContact O-N 3.16Å; L513-H516 VanDerWaalsContact O-N 3.11Å; L513-A517 PolarHBondContact O-N 3.31Å; L513-A517 VanDerWaalsContact O-N 3.1Å
514P69.9Low75.5Confident37 Ų3753.2 Ų53.224%0.2429%0.288CS..Hα-helixtrans-65-30.8-174.925.4-34.1000113.2L309 V518L309-P514 HydrophobicContact CD1-CG 4.44Å; P514-V518 VanDerWaalsContact O-CG2 3.31Å; P514-V518 WeakPolarHBondContact O-CG2 3.27Å; P514-V518 PolarHBondContact O-N 3.14Å; P514-V518 VanDerWaalsContact O-N 3.12Å
515V77.1Confident76.2Confident26 Ų2647.9 Ų47.916%0.15826%0.26CS..Hα-helixtrans-70.2-38.7175.21690000111.9M305 P308 L513 V518 I519M305-V515 WeakPolarHBondContact O-CG2 3.45Å; P308-V515 HydrophobicContact CG-CG2 3.74Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 3.45Å; V515-V518 PolarHBondContact O-N 3.19Å; V515-I519 HydrophobicContact CG1-CD1 3.75Å; V515-I519 HydrophobicContact CG1-CG1 4.42Å; V515-I519 VanDerWaalsContact O-CG1 3.31Å; V515-I519 WeakPolarHBondContact O-CG1 3.47Å; V515-I519 PolarHBondContact O-N 3.13Å
516H75.4Confident76.8Confident91 Ų9145.9 Ų45.942%0.42126%0.255SS..Hα-helixtrans-65.4-42.7176.6-71.183.6000110.9L513 V518 I519 I520L513-H516 HydrophobicContact CB-CB 4.13Å; L513-H516 VanDerWaalsContact CB-ND1 3.29Å; L513-H516 WeakPolarHBondContact CB-ND1 3.3Å; L513-H516 PolarHBondContact O-N 3.16Å; L513-H516 VanDerWaalsContact O-N 3.11Å; H516-V518 PolarHBondContact O-N 3.33Å; H516-I519 PolarHBondContact O-N 3.23Å; H516-I520 WeakPolarHBondContact O-CB 3.34Å; H516-I520 WeakPolarHBondContact O-CD1 3.31Å; H516-I520 VanDerWaalsContact O-CG1 3.29Å; H516-I520 WeakPolarHBondContact O-CG1 3.13Å; H516-I520 PolarHBondContact O-N 3.45Å
517A76.1Confident77.5Confident2 Ų246.3 Ų46.32%0.01726%0.256CS..Hα-helixtrans-55.7-48.4172.100000112.5P205 L513 I519 L521P205-A517 HydrophobicContact CG-CB 4.25Å; L513-A517 PolarHBondContact O-N 3.31Å; L513-A517 VanDerWaalsContact O-N 3.1Å; A517-I519 PolarHBondContact O-N 2.91Å; A517-L521 WeakPolarHBondContact O-CB 3.21Å; A517-L521 WeakPolarHBondContact O-CG 3.37Å; A517-L521 PolarHBondContact O-N 3.38Å
518V83.1Confident78.5Confident17 Ų1745 Ų4510%0.10324%0.243CC..Hα-helixtrans-60.7-44.5177.2169.30000111.8I202 V203 P308 P514 V515 H516 C522I202-V518 HydrophobicContact CG2-CG1 4.35Å; I202-V518 WeakPolarHBondContact O-CG2 3.42Å; V203-V518 WeakPolarHBondContact O-CG2 3.25Å; P308-V518 HydrophobicContact CB-CG2 4.38Å; P308-V518 HydrophobicContact CG-CG2 4.31Å; P514-V518 VanDerWaalsContact O-CG2 3.31Å; P514-V518 WeakPolarHBondContact O-CG2 3.27Å; P514-V518 PolarHBondContact O-N 3.14Å; P514-V518 VanDerWaalsContact O-N 3.12Å; V515-V518 PolarHBondContact O-N 3.19Å; H516-V518 PolarHBondContact O-N 3.33Å; V518-C522 WeakPolarHBondContact O-CB 3.45Å; V518-C522 PolarHBondContact O-N 3.45Å
519I82.5Confident79.2Confident92 Ų9247.3 Ų47.347%0.47226%0.255SS..Hα-helixtrans-65.9-49.8-179.2-69.2167.4000111V515 H516 A517 L521 C522 V523V515-I519 HydrophobicContact CG1-CD1 3.75Å; V515-I519 HydrophobicContact CG1-CG1 4.42Å; V515-I519 VanDerWaalsContact O-CG1 3.31Å; V515-I519 WeakPolarHBondContact O-CG1 3.47Å; V515-I519 PolarHBondContact O-N 3.13Å; H516-I519 PolarHBondContact O-N 3.23Å; A517-I519 PolarHBondContact O-N 2.91Å; I519-L521 PolarHBondContact O-N 3.4Å; I519-C522 PolarHBondContact O-N 2.96Å; I519-V523 HydrophobicContact CG2-CG2 4.36Å; I519-V523 WeakPolarHBondContact O-CG2 3.45Å; I519-V523 PolarHBondContact O-N 3.34Å
520I83.1Confident79.9Confident34 Ų3443.2 Ų43.217%0.17424%0.238CC..Hα-helixtrans-61.5-48.1-177.6-68.3163.7000110.2Y443 Q486 T511 H516 C522 V523 Q524Y443-I520 HydrophobicContact CE1-CG1 4.49Å; Y443-I520 HydrophobicContact CE1-CG2 4.13Å; Q486-I520 HydrophobicContact CG-CG2 3.94Å; T511-I520 HydrophobicContact CG2-CD1 3.67Å; H516-I520 WeakPolarHBondContact O-CB 3.34Å; H516-I520 WeakPolarHBondContact O-CD1 3.31Å; H516-I520 VanDerWaalsContact O-CG1 3.29Å; H516-I520 WeakPolarHBondContact O-CG1 3.13Å; H516-I520 PolarHBondContact O-N 3.45Å; I520-C522 VanDerWaalsContact C-N 3.33Å; I520-C522 PolarHBondContact O-N 2.95Å; I520-V523 PolarHBondContact O-N 3.43Å; I520-Q524 HydrophobicContact CG2-CG 4.45Å; I520-Q524 WeakPolarHBondContact O-CB 3.48Å; I520-Q524 VanDerWaalsContact O-CG 3.32Å; I520-Q524 WeakPolarHBondContact O-CG 3.39Å; I520-Q524 PolarHBondContact O-N 3.37Å
521L85Confident80.5Confident1 Ų141.3 Ų41.31%0.00523%0.231CC..Hα-helixtrans-63.2-37176.4-70.8172.1000112.3I202 Q486 Y487 A517 I519 T525I202-L521 HydrophobicContact CG1-CB 4.39Å; I202-L521 HydrophobicContact CG2-CB 3.79Å; I202-L521 HydrophobicContact CG2-CD1 4.3Å; Q486-L521 HydrophobicContact CB-CD2 4.21Å; Q486-L521 HydrophobicContact CG-CD2 3.89Å; Y487-L521 HydrophobicContact CD2-CD1 3.9Å; Y487-L521 HydrophobicContact CD2-CD2 4.39Å; Y487-L521 HydrophobicContact CE2-CD1 4.41Å; A517-L521 WeakPolarHBondContact O-CB 3.21Å; A517-L521 WeakPolarHBondContact O-CG 3.37Å; A517-L521 PolarHBondContact O-N 3.38Å; I519-L521 PolarHBondContact O-N 3.4Å; L521-T525 VanDerWaalsContact O-CB 3.31Å; L521-T525 WeakPolarHBondContact O-CB 3.27Å; L521-T525 VanDerWaalsContact O-CG2 3.26Å; L521-T525 WeakPolarHBondContact O-CG2 3.27Å; L521-T525 PolarHBondContact O-N 3.32Å; L521-T525 PolarHBondContact O-OG1 3.28Å
522C85.8Confident81.2Confident57 Ų5740.4 Ų40.439%0.38523%0.225SC..Hα-helixtrans-67.6-46.1177-171.50000112.6V518 I519 I520 T525 L526V518-C522 WeakPolarHBondContact O-CB 3.45Å; V518-C522 PolarHBondContact O-N 3.45Å; I519-C522 PolarHBondContact O-N 2.96Å; I520-C522 VanDerWaalsContact C-N 3.33Å; I520-C522 PolarHBondContact O-N 2.95Å; C522-T525 WeakPolarHBondContact CA-OG1 3.34Å; C522-T525 PolarHBondContact O-N 2.91Å; C522-T525 PolarHBondContact O-OG1 3.15Å; C522-T525 VanDerWaalsContact O-OG1 3.12Å; C522-L526 WeakPolarHBondContact O-CB 3.48Å; C522-L526 PolarHBondContact O-N 3.03Å
523V84.8Confident82.1Confident50 Ų5038.7 Ų38.730%0.30321%0.212SC..Hα-helixtrans-65.5-45.1177.7171.90000111Y443 I519 I520 L526 L527Y443-V523 HydrophobicContact CE2-CG1 4.49Å; Y443-V523 WeakPolarHBondContact OH-CG1 3.32Å; I519-V523 HydrophobicContact CG2-CG2 4.36Å; I519-V523 WeakPolarHBondContact O-CG2 3.45Å; I519-V523 PolarHBondContact O-N 3.34Å; I520-V523 PolarHBondContact O-N 3.43Å; V523-L526 PolarHBondContact O-N 3.18Å; V523-L527 HydrophobicContact CG1-CD1 4.02Å; V523-L527 WeakPolarHBondContact O-CG 3.07Å; V523-L527 PolarHBondContact O-N 3.3Å
524Q87Confident83Confident6 Ų635.9 Ų35.93%0.02820%0.197CC..Hα-helixtrans-61.4-49.2175.6-72.7-177.93.600111.1W439 Y443 L483 I520 L526 L527 T528W439-Q524 HydrophobicContact CH2-CB 3.62Å; W439-Q524 HydrophobicContact CH2-CG 3.62Å; W439-Q524 HydrophobicContact CZ2-CB 4.38Å; W439-Q524 HydrophobicContact CZ2-CG 3.88Å; W439-Q524 HydrophobicContact CZ3-CB 3.88Å; W439-Q524 HydrophobicContact CZ3-CG 4.06Å; Y443-Q524 HydrophobicContact CD2-CG 4.48Å; Y443-Q524 HydrophobicContact CE2-CG 3.71Å; L483-Q524 HydrophobicContact CD2-CB 3.79Å; I520-Q524 HydrophobicContact CG2-CG 4.45Å; I520-Q524 WeakPolarHBondContact O-CB 3.48Å; I520-Q524 VanDerWaalsContact O-CG 3.32Å; I520-Q524 WeakPolarHBondContact O-CG 3.39Å; I520-Q524 PolarHBondContact O-N 3.37Å; Q524-L526 VanDerWaalsContact C-N 3.26Å; Q524-L526 PolarHBondContact O-N 3.28Å; Q524-L527 PolarHBondContact O-N 3.3Å; Q524-L527 VanDerWaalsContact O-N 3.08Å; Q524-T528 VanDerWaalsContact O-CG2 3.27Å; Q524-T528 WeakPolarHBondContact O-CG2 3.46Å; Q524-T528 PolarHBondContact O-N 3.09Å; Q524-T528 VanDerWaalsContact O-N 3.07Å
525T83.2Confident83.8Confident14 Ų1434.9 Ų34.99%0.08619%0.19CC..Hα-helixtrans-63.5-26178.151.70000114.2I202 F213 F216 L483 L521 C522 T528I202-T525 HydrophobicContact CD1-CG2 4.23Å; F213-T525 HydrophobicContact CE2-CG2 4.19Å; F216-T525 HydrophobicContact CE1-CG2 4.42Å; L483-T525 HydrophobicContact CD1-CG2 4.42Å; L483-T525 HydrophobicContact CD2-CG2 3.84Å; L521-T525 VanDerWaalsContact O-CB 3.31Å; L521-T525 WeakPolarHBondContact O-CB 3.27Å; L521-T525 VanDerWaalsContact O-CG2 3.26Å; L521-T525 WeakPolarHBondContact O-CG2 3.27Å; L521-T525 PolarHBondContact O-N 3.32Å; L521-T525 PolarHBondContact O-OG1 3.28Å; C522-T525 WeakPolarHBondContact CA-OG1 3.34Å; C522-T525 PolarHBondContact O-N 2.91Å; C522-T525 PolarHBondContact O-OG1 3.15Å; C522-T525 VanDerWaalsContact O-OG1 3.12Å; T525-T528 PolarHBondContact O-OG1 2.97Å; T525-T528 VanDerWaalsContact O-OG1 3.04Å
526L84.2Confident84.3Confident105 Ų10537.2 Ų37.255%0.5520%0.196SC..Hα-helixtrans-70.9-45.9168.7-86.1164000112.3C522 V523 Q524 T528 L529C522-L526 WeakPolarHBondContact O-CB 3.48Å; C522-L526 PolarHBondContact O-N 3.03Å; V523-L526 PolarHBondContact O-N 3.18Å; Q524-L526 VanDerWaalsContact C-N 3.26Å; Q524-L526 PolarHBondContact O-N 3.28Å; L526-T528 PolarHBondContact O-N 3.33Å; L526-L529 HydrophobicContact CD2-CD1 4.25Å; L526-L529 PolarHBondContact O-N 3.01Å
527L85.3Confident84.6Confident33 Ų3334.2 Ų34.217%0.17318%0.183CC..Hα-helixtrans-65.8-20.1179.9-70.9171.5000113.4A435 W439 L442 V523 Q524 P530A435-L527 HydrophobicContact CB-CD2 4.49Å; W439-L527 HydrophobicContact CE3-CB 3.8Å; W439-L527 HydrophobicContact CE3-CD1 4.11Å; W439-L527 HydrophobicContact CZ3-CB 4.13Å; L442-L527 HydrophobicContact CD1-CD1 4.06Å; V523-L527 HydrophobicContact CG1-CD1 4.02Å; V523-L527 WeakPolarHBondContact O-CG 3.07Å; V523-L527 PolarHBondContact O-N 3.3Å; Q524-L527 PolarHBondContact O-N 3.3Å; Q524-L527 VanDerWaalsContact O-N 3.08Å; L527-P530 WeakPolarHBondContact O-CD 3.43Å
528T85.9Confident85Confident1 Ų135.1 Ų35.11%0.00619%0.19CC..Hα-helixtrans-81.6-21.8174.967.40000114.5W439 I479 L483 Q524 T525 L526 V531 F532W439-T528 HydrophobicContact CH2-CG2 4.28Å; W439-T528 HydrophobicContact CZ3-CG2 3.81Å; I479-T528 HydrophobicContact CG2-CG2 3.17Å; L483-T528 HydrophobicContact CD1-CG2 3.63Å; L483-T528 HydrophobicContact CG-CG2 4.13Å; Q524-T528 VanDerWaalsContact O-CG2 3.27Å; Q524-T528 WeakPolarHBondContact O-CG2 3.46Å; Q524-T528 PolarHBondContact O-N 3.09Å; Q524-T528 VanDerWaalsContact O-N 3.07Å; T525-T528 PolarHBondContact O-OG1 2.97Å; T525-T528 VanDerWaalsContact O-OG1 3.04Å; L526-T528 PolarHBondContact O-N 3.33Å; T528-V531 WeakPolarHBondContact O-CA 3.26Å; T528-V531 WeakPolarHBondContact O-CB 3.39Å; T528-V531 PolarHBondContact O-N 3.48Å; T528-F532 WeakPolarHBondContact O-CD2 3.5Å; T528-F532 PolarHBondContact O-N 2.8Å
529L83.7Confident85.1Confident74 Ų7440.3 Ų40.339%0.38721%0.208SC..Hα-helixtrans-57.5-41.3-177.6-62.6179.4000114L526 V531 F532 L533L526-L529 HydrophobicContact CD2-CD1 4.25Å; L526-L529 PolarHBondContact O-N 3.01Å; L529-V531 PolarHBondContact O-N 2.87Å; L529-F532 PolarHBondContact O-N 2.65Å; L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 PolarHBondContact O-N 3.03Å
530P85Confident84.9Confident31 Ų3137.5 Ų37.520%0.20119%0.191CC..Hα-helixtrans-59.9-29.3172.3-24.435.5000113.6I431 A432 A435 L527 L534I431-P530 HydrophobicContact CG2-CB 4.33Å; I431-P530 HydrophobicContact CG2-CG 4.31Å; A432-P530 HydrophobicContact CB-CB 4.39Å; A435-P530 HydrophobicContact CB-CG 4.39Å; L527-P530 WeakPolarHBondContact O-CD 3.43Å; P530-L534 WeakPolarHBondContact O-CB 3.44Å; P530-L534 PolarHBondContact O-N 3.14Å
531V85.6Confident84.6Confident2 Ų238.2 Ų38.21%0.01219%0.194CC..Hα-helixtrans-79.8-41.3-179.6-171.30000111.3I475 L476 I479 T528 L529 L533 L534 L535I475-V531 HydrophobicContact CG2-CG1 3.85Å; L476-V531 HydrophobicContact CB-CG1 4.15Å; L476-V531 HydrophobicContact CD1-CB 4.35Å; L476-V531 HydrophobicContact CD1-CG1 3.93Å; I479-V531 HydrophobicContact CD1-CG1 4.26Å; I479-V531 HydrophobicContact CD1-CG2 3.9Å; T528-V531 WeakPolarHBondContact O-CA 3.26Å; T528-V531 WeakPolarHBondContact O-CB 3.39Å; T528-V531 PolarHBondContact O-N 3.48Å; L529-V531 PolarHBondContact O-N 2.87Å; V531-L533 PolarHBondContact O-N 3.33Å; V531-L534 VanDerWaalsContact O-CB 3.32Å; V531-L534 WeakPolarHBondContact O-CB 3.33Å; V531-L534 PolarHBondContact O-N 3.06Å; V531-L534 VanDerWaalsContact O-N 3.12Å; V531-L535 PolarHBondContact O-N 3.08Å
532F87.1Confident84.3Confident4 Ų444.6 Ų44.62%0.01822%0.221CC..Hα-helixtrans-57.5-39.4168.5-76.5-70.8000111.4L476 E480 T528 L529 R536L476-F532 HydrophobicContact CD1-CD1 3.75Å; L476-F532 HydrophobicContact CD1-CD2 4.34Å; L476-F532 HydrophobicContact CD1-CE1 3.78Å; L476-F532 HydrophobicContact CD1-CE2 4.37Å; L476-F532 HydrophobicContact CD1-CG 4.04Å; L476-F532 HydrophobicContact CD1-CZ 4.1Å; L476-F532 HydrophobicContact CD2-CD1 3.88Å; L476-F532 HydrophobicContact CD2-CE1 4.04Å; L476-F532 HydrophobicContact CG-CD1 4.44Å; L476-F532 HydrophobicContact CG-CE1 4.38Å; E480-F532 HydrophobicContact CG-CZ 4.41Å; E480-F532 WeakPolarHBondContact OE1-CE1 3.39Å; T528-F532 WeakPolarHBondContact O-CD2 3.5Å; T528-F532 PolarHBondContact O-N 2.8Å; L529-F532 PolarHBondContact O-N 2.65Å; F532-R536 WeakPolarHBondContact O-CB 3.39Å; F532-R536 PolarHBondContact O-N 2.88Å
533L85.1Confident83.7Confident72 Ų7245.1 Ų45.138%0.37722%0.218SC..Hα-helixtrans-68.7-38174.5-176.6139.6000112.3L529 V531 R536 L537L529-L533 WeakPolarHBondContact O-CB 3.35Å; L529-L533 PolarHBondContact O-N 3.03Å; V531-L533 PolarHBondContact O-N 3.33Å; L533-R536 PolarHBondContact O-N 3.45Å; L533-L537 HydrophobicContact CD2-CD1 3.58Å; L533-L537 HydrophobicContact CD2-CG 4.14Å; L533-L537 HydrophobicContact CG-CD1 4.43Å; L533-L537 HydrophobicContact CG-CG 4.48Å; L533-L537 WeakPolarHBondContact O-CB 3.5Å; L533-L537 WeakPolarHBondContact O-CG 3.47Å; L533-L537 PolarHBondContact O-N 3.41Å
534L87.2Confident82.9Confident4 Ų444 Ų442%0.02121%0.208CC..Hα-helixtrans-57.9-48.6174.3-166.577.4000111.3A432 F469 A472 P530 V531 L537 A538A432-L534 HydrophobicContact CB-CD1 4.1Å; A432-L534 HydrophobicContact CB-CD2 4.23Å; F469-L534 HydrophobicContact CD1-CD1 3.76Å; F469-L534 HydrophobicContact CD1-CG 4.29Å; F469-L534 HydrophobicContact CE1-CD1 3.59Å; F469-L534 HydrophobicContact CE1-CG 4.46Å; A472-L534 HydrophobicContact CB-CD2 3.72Å; A472-L534 HydrophobicContact CB-CG 3.94Å; P530-L534 WeakPolarHBondContact O-CB 3.44Å; P530-L534 PolarHBondContact O-N 3.14Å; V531-L534 VanDerWaalsContact O-CB 3.32Å; V531-L534 WeakPolarHBondContact O-CB 3.33Å; V531-L534 PolarHBondContact O-N 3.06Å; V531-L534 VanDerWaalsContact O-N 3.12Å; L534-L537 PolarHBondContact O-N 3.26Å; L534-A538 WeakPolarHBondContact O-CB 3.44Å; L534-A538 PolarHBondContact O-N 3.43Å
535L88.1Confident82Confident17 Ų1748.5 Ų48.59%0.08923%0.229CC..Hα-helixtrans-64.8-41.1176.6-178.660000111.7P473 L476 V531 L537 A538 R539P473-L535 HydrophobicContact CB-CD1 4.05Å; L476-L535 HydrophobicContact CD2-CB 4.3Å; L476-L535 HydrophobicContact CD2-CD2 3.42Å; L476-L535 VanDerWaalsContact CD2-CD2 3.42Å; L476-L535 HydrophobicContact CD2-CG 4.49Å; V531-L535 PolarHBondContact O-N 3.08Å; L535-L537 PolarHBondContact O-N 3.02Å; L535-A538 PolarHBondContact O-N 2.69Å; L535-R539 HydrophobicContact CD1-CG 4Å; L535-R539 HydrophobicContact CG-CG 4.27Å; L535-R539 WeakPolarHBondContact O-CB 3.48Å; L535-R539 WeakPolarHBondContact O-CG 3.3Å; L535-R539 PolarHBondContact O-N 3.26Å
536R86.4Confident81.5Confident74 Ų7452 Ų5228%0.27925%0.254SS..Hα-helixtrans-62.1-41.6176.9-172.3176.1168.1106.5-11.6112.1W223 S224 F532 L533 R540W223-R536 VanDerWaalsContact CE2-CZ 3.46Å; W223-R536 VanDerWaalsContact CE2-NH1 3.32Å; W223-R536 VanDerWaalsContact CH2-CD 3.44Å; W223-R536 HydrophobicContact CZ3-CB 4.47Å; W223-R536 VanDerWaalsContact CZ3-CD 3.49Å; W223-R536 PolarHBondContact O-NH1 3.35Å; S224-R536 WeakPolarHBondContact O-CA 3.36Å; F532-R536 WeakPolarHBondContact O-CB 3.39Å; F532-R536 PolarHBondContact O-N 2.88Å; L533-R536 PolarHBondContact O-N 3.45Å; R536-R540 WeakPolarHBondContact O-CB 3.35Å; R536-R540 PolarHBondContact O-N 3.15Å
537L83.4Confident80.6Confident28 Ų2847.9 Ų47.915%0.14723%0.233CC..Hα-helixtrans-66-43.8175.3-72.3-179.8000111.4I425 S428 L533 L534 L535 R540 E541I425-L537 HydrophobicContact CG2-CD2 4.27Å; S428-L537 WeakPolarHBondContact OG-CD1 3.43Å; L533-L537 HydrophobicContact CD2-CD1 3.58Å; L533-L537 HydrophobicContact CD2-CG 4.14Å; L533-L537 HydrophobicContact CG-CD1 4.43Å; L533-L537 HydrophobicContact CG-CG 4.48Å; L533-L537 WeakPolarHBondContact O-CB 3.5Å; L533-L537 WeakPolarHBondContact O-CG 3.47Å; L533-L537 PolarHBondContact O-N 3.41Å; L534-L537 PolarHBondContact O-N 3.26Å; L535-L537 PolarHBondContact O-N 3.02Å; L537-R540 PolarHBondContact O-N 3.43Å; L537-E541 WeakPolarHBondContact O-CB 3.33Å; L537-E541 PolarHBondContact O-N 2.95Å
538A83.5Confident79.8Confident21 Ų2149 Ų4917%0.17424%0.243CC..Hα-helixtrans-62.8-46.3176.300000112.6F469 L534 L535 E541 K542F469-A538 HydrophobicContact CB-CB 4.4Å; L534-A538 WeakPolarHBondContact O-CB 3.44Å; L534-A538 PolarHBondContact O-N 3.43Å; L535-A538 PolarHBondContact O-N 2.69Å; A538-E541 PolarHBondContact O-N 3.06Å; A538-K542 WeakPolarHBondContact O-CB 3.4Å; A538-K542 PolarHBondContact O-N 3.18Å
539R84.4Confident78.5Confident127 Ų12753.1 Ų53.148%0.47927%0.265SS..Hα-helixtrans-63.9-39.7175.7-76.1-68.4-173.7172.51.4112.2L535 K542 F543L535-R539 HydrophobicContact CD1-CG 4Å; L535-R539 HydrophobicContact CG-CG 4.27Å; L535-R539 WeakPolarHBondContact O-CB 3.48Å; L535-R539 WeakPolarHBondContact O-CG 3.3Å; L535-R539 PolarHBondContact O-N 3.26Å; R539-K542 PolarHBondContact O-N 3.14Å; R539-F543 WeakPolarHBondContact O-CB 3.21Å; R539-F543 PolarHBondContact O-N 3.32Å
540R79.4Confident77.2Confident32 Ų3257.5 Ų57.512%0.12128%0.277CS..Hα-helixtrans-64.6-47.6175.3175.3-168.5168.6162.88.8111.8Y226 D393 R536 L537 K542 F543 Y544Y226-R540 HydrophobicContact CD2-CB 4.15Å; Y226-R540 HydrophobicContact CE2-CB 4.16Å; Y226-R540 HydrophobicContact CE2-CG 4.02Å; D393-R540 VanDerWaalsContact CG-CZ 3.44Å; D393-R540 IonicContact OD1-CZ 3.56Å; D393-R540 IonicContact OD1-NH1 3.58Å; D393-R540 PolarHBondContact OD1-NH1 3.43Å; D393-R540 IonicContact OD1-NH2 3.65Å; D393-R540 PolarHBondContact OD1-NH2 2.64Å; D393-R540 IonicContact OD2-CZ 2.85Å; D393-R540 IonicContact OD2-NH1 2.7Å; D393-R540 PolarHBondContact OD2-NH1 2.66Å; D393-R540 IonicContact OD2-NH2 3.87Å; D393-R540 PolarHBondContact OD2-NH2 3.28Å; R536-R540 WeakPolarHBondContact O-CB 3.35Å; R536-R540 PolarHBondContact O-N 3.15Å; L537-R540 PolarHBondContact O-N 3.43Å; R540-K542 VanDerWaalsContact C-N 3.28Å; R540-K542 PolarHBondContact O-N 2.94Å; R540-F543 PolarHBondContact O-N 2.88Å; R540-F543 VanDerWaalsContact O-N 3.16Å; R540-Y544 HydrophobicContact CG-CD2 3.69Å; R540-Y544 HydrophobicContact CG-CE2 3.7Å; R540-Y544 VanDerWaalsContact O-CD2 3.3Å; R540-Y544 WeakPolarHBondContact O-CD2 3.21Å; R540-Y544 PolarHBondContact O-N 2.83Å
541E75.7Confident76Confident49 Ų4960.4 Ų60.423%0.22929%0.288CS..Hα-helixtrans-59.9-44.5178.2-162.8155.9-16300109.1R465 F469 L537 A538 F543 Y544 E545R465-E541 IonicContact CZ-OE1 3.14Å; R465-E541 IonicContact CZ-OE2 3.81Å; R465-E541 IonicContact NH2-OE1 2.6Å; R465-E541 PolarHBondContact NH2-OE1 2.82Å; R465-E541 IonicContact NH2-OE2 2.73Å; R465-E541 PolarHBondContact NH2-OE2 2.97Å; F469-E541 VanDerWaalsContact CE2-OE2 3.23Å; F469-E541 WeakPolarHBondContact CE2-OE2 3.35Å; L537-E541 WeakPolarHBondContact O-CB 3.33Å; L537-E541 PolarHBondContact O-N 2.95Å; A538-E541 PolarHBondContact O-N 3.06Å; E541-F543 PolarHBondContact O-N 2.94Å; E541-Y544 PolarHBondContact O-N 2.97Å; E541-E545 VanDerWaalsContact O-CG 3.32Å; E541-E545 WeakPolarHBondContact O-CG 3.35Å; E541-E545 PolarHBondContact O-N 3.06Å
542K79Confident74.7Confident135 Ų13561.8 Ų61.859%0.58729%0.293SS*.Hα-helixtrans-61.3-36.7172.7-163.2170.2-173.7172.50114.3A538 R539 R540 E545 S546A538-K542 WeakPolarHBondContact O-CB 3.4Å; A538-K542 PolarHBondContact O-N 3.18Å; R539-K542 PolarHBondContact O-N 3.14Å; R540-K542 VanDerWaalsContact C-N 3.28Å; R540-K542 PolarHBondContact O-N 2.94Å; K542-E545 PolarHBondContact O-N 3.49Å; K542-S546 WeakPolarHBondContact O-CB 3.35Å; K542-S546 PolarHBondContact O-N 2.87Å; K542-S546 VanDerWaalsContact O-N 3.12Å
543F73.7Confident73.1Confident69 Ų6965.1 Ų65.130%0.30331%0.309SS..Hα-helixtrans-69.2-43.1174.8172.9-94.2000112.4Y226 R539 R540 E541 E545 S546 L547Y226-F543 HydrophobicContact CD1-CB 4.25Å; Y226-F543 HydrophobicContact CD1-CD1 4.3Å; Y226-F543 HydrophobicContact CD1-CG 4.14Å; Y226-F543 HydrophobicContact CE1-CB 4.29Å; Y226-F543 AromaticContact CE1-CD1 3.57Å; Y226-F543 HydrophobicContact CE1-CD1 3.57Å; Y226-F543 AromaticContact CE1-CE1 4Å; Y226-F543 HydrophobicContact CE1-CE1 4Å; Y226-F543 AromaticContact CE1-CG 3.87Å; Y226-F543 HydrophobicContact CE1-CG 3.87Å; R539-F543 WeakPolarHBondContact O-CB 3.21Å; R539-F543 PolarHBondContact O-N 3.32Å; R540-F543 PolarHBondContact O-N 2.88Å; R540-F543 VanDerWaalsContact O-N 3.16Å; E541-F543 PolarHBondContact O-N 2.94Å; F543-E545 PolarHBondContact O-N 3.17Å; F543-S546 PolarHBondContact O-N 3.26Å; F543-S546 PolarHBondContact O-OG 3.21Å; F543-S546 VanDerWaalsContact O-OG 3.12Å; F543-L547 HydrophobicContact CD1-CD1 4.13Å; F543-L547 HydrophobicContact CE1-CD1 3.67Å; F543-L547 HydrophobicContact CE1-CG 4.44Å; F543-L547 HydrophobicContact CZ-CD1 4.1Å; F543-L547 HydrophobicContact CZ-CG 4.4Å; F543-L547 PolarHBondContact O-N 2.96Å
544Y69.1Low71.6Confident25 Ų2569.9 Ų69.910%0.09832%0.322CS..Hα-helixtrans-66.3-23.6174.3-81.4-73.2000112.3V392 R540 E541 L547 R552V392-Y544 HydrophobicContact CB-CE1 4.28Å; V392-Y544 HydrophobicContact CG1-CE1 3.96Å; V392-Y544 WeakPolarHBondContact CG1-OH 3.34Å; V392-Y544 HydrophobicContact CG2-CD1 4.45Å; V392-Y544 HydrophobicContact CG2-CE1 4.07Å; R540-Y544 HydrophobicContact CG-CD2 3.69Å; R540-Y544 HydrophobicContact CG-CE2 3.7Å; R540-Y544 VanDerWaalsContact O-CD2 3.3Å; R540-Y544 WeakPolarHBondContact O-CD2 3.21Å; R540-Y544 PolarHBondContact O-N 2.83Å; E541-Y544 PolarHBondContact O-N 2.97Å; Y544-L547 HydrophobicContact CD1-CD1 4.17Å; Y544-R552 PolarHBondContact O-NE 2.62Å; Y544-R552 PolarHBondContact O-NH2 3.31Å
545E68.2Low69.9Low102 Ų10275.7 Ų75.748%0.47734%0.344SS..Hα-helixtrans-79.9-15.4169.4-70.4-174.2144.800114.6K386 E541 K542 F543K386-E545 HydrophobicContact CD-CG 4.33Å; K386-E545 VanDerWaalsContact NZ-CD 3.29Å; K386-E545 IonicContact NZ-OE1 3.44Å; K386-E545 PolarHBondContact NZ-OE1 3.03Å; K386-E545 IonicContact NZ-OE2 3.74Å; E541-E545 VanDerWaalsContact O-CG 3.32Å; E541-E545 WeakPolarHBondContact O-CG 3.35Å; E541-E545 PolarHBondContact O-N 3.06Å; K542-E545 PolarHBondContact O-N 3.49Å; F543-E545 PolarHBondContact O-N 3.17Å
546S70.8Confident68.1Low86 Ų8676.6 Ų76.660%0.60135%0.348SS*.Hα-helixtrans-104.8-3.6-17675.10000115.6K542 F543K542-S546 WeakPolarHBondContact O-CB 3.35Å; K542-S546 PolarHBondContact O-N 2.87Å; K542-S546 VanDerWaalsContact O-N 3.12Å; F543-S546 PolarHBondContact O-N 3.26Å; F543-S546 PolarHBondContact O-OG 3.21Å; F543-S546 VanDerWaalsContact O-OG 3.12Å
547L65.8Low66.4Low20 Ų2078.8 Ų78.811%0.10537%0.365CS..SBendtrans-68.9137.2171.9-85.1135.6000110.6F543 Y544 E551 R552F543-L547 HydrophobicContact CD1-CD1 4.13Å; F543-L547 HydrophobicContact CE1-CD1 3.67Å; F543-L547 HydrophobicContact CE1-CG 4.44Å; F543-L547 HydrophobicContact CZ-CD1 4.1Å; F543-L547 HydrophobicContact CZ-CG 4.4Å; F543-L547 PolarHBondContact O-N 2.96Å; Y544-L547 HydrophobicContact CD1-CD1 4.17Å; L547-E551 HydrophobicContact CD2-CB 3.89Å; L547-R552 HydrophobicContact CB-CG 4.13Å
548S68.5Low64.9Low55 Ų5581.3 Ų81.339%0.38539%0.385SS..  trans-62.3150170.967.30000110.9Y550 E551 R552S548-Y550 PolarHBondContact O-N 3.49Å; S548-E551 WeakPolarHBondContact CB-OE2 3.31Å; S548-E551 PolarHBondContact N-OE2 3.41Å; S548-E551 PolarHBondContact O-N 3.29Å; S548-E551 VanDerWaalsContact O-N 3.11Å; S548-E551 WeakPolarHBondContact OG-CB 3.36Å; S548-E551 VanDerWaalsContact OG-CD 3.27Å; S548-E551 WeakPolarHBondContact OG-CG 3.25Å; S548-E551 PolarHBondContact OG-N 3.04Å; S548-E551 PolarHBondContact OG-OE2 2.92Å; S548-R552 PolarHBondContact O-N 3.4Å
549D58.2Low63.2Low88 Ų8887 Ų8747%0.47140%0.403SS..Hα-helixtrans-59.2-35.1-179.4-75-36.8000111.7R552 Q553D549-R552 WeakPolarHBondContact O-CB 3.28Å; D549-R552 PolarHBondContact O-N 2.91Å; D549-Q553 WeakPolarHBondContact O-CB 3.39Å; D549-Q553 PolarHBondContact O-N 3.2Å
550Y56.7Low60.8Low167 Ų16783.6 Ų83.666%0.65541%0.408SS*.Hα-helixtrans-64.5-45.1173.6176-97.3000113.3S548 R552 Q553 R554S548-Y550 PolarHBondContact O-N 3.49Å; Y550-R552 VanDerWaalsContact C-N 3.32Å; Y550-R552 PolarHBondContact O-N 3.32Å; Y550-Q553 WeakPolarHBondContact O-CB 3.21Å; Y550-Q553 PolarHBondContact O-N 3.33Å; Y550-R554 WeakPolarHBondContact O-CB 3.41Å; Y550-R554 PolarHBondContact O-N 3.32Å
551E60.7Low59Low92 Ų9288.6 Ų88.643%0.4344%0.442SS..Hα-helixtrans-69.1-32.5177.4-69.9168.3116.300112.4L547 S548 R555L547-E551 HydrophobicContact CD2-CB 3.89Å; S548-E551 WeakPolarHBondContact CB-OE2 3.31Å; S548-E551 PolarHBondContact N-OE2 3.41Å; S548-E551 PolarHBondContact O-N 3.29Å; S548-E551 VanDerWaalsContact O-N 3.11Å; S548-E551 WeakPolarHBondContact OG-CB 3.36Å; S548-E551 VanDerWaalsContact OG-CD 3.27Å; S548-E551 WeakPolarHBondContact OG-CG 3.25Å; S548-E551 PolarHBondContact OG-N 3.04Å; S548-E551 PolarHBondContact OG-OE2 2.92Å; E551-R555 WeakPolarHBondContact O-CG 3.29Å; E551-R555 PolarHBondContact O-N 3.49Å; E551-R555 VanDerWaalsContact O-N 3.16Å
552R57.6Low57Low31 Ų3192.1 Ų92.112%0.11746%0.457CS..Hα-helixtrans-58.6-54.9165.6-102.4176.9176.4-173.22.4110.1Y544 L547 S548 D549 Y550 R554 R555 I556Y544-R552 PolarHBondContact O-NE 2.62Å; Y544-R552 PolarHBondContact O-NH2 3.31Å; L547-R552 HydrophobicContact CB-CG 4.13Å; S548-R552 PolarHBondContact O-N 3.4Å; D549-R552 WeakPolarHBondContact O-CB 3.28Å; D549-R552 PolarHBondContact O-N 2.91Å; Y550-R552 VanDerWaalsContact C-N 3.32Å; Y550-R552 PolarHBondContact O-N 3.32Å; R552-R554 VanDerWaalsContact C-N 3.33Å; R552-R554 PolarHBondContact O-N 2.9Å; R552-R555 PolarHBondContact O-N 3.04Å; R552-I556 HydrophobicContact CB-CD1 4.3Å; R552-I556 WeakPolarHBondContact O-CB 3.32Å; R552-I556 WeakPolarHBondContact O-CD1 3.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.48Å; R552-I556 PolarHBondContact O-N 3.23Å
553Q53.4Low54.8Low74 Ų7489 Ų8935%0.34646%0.463SS..Hα-helixtrans-56-45.7-179.3-14081.7-17.600111.7D549 Y550 R555 I556 N557D549-Q553 WeakPolarHBondContact O-CB 3.39Å; D549-Q553 PolarHBondContact O-N 3.2Å; Y550-Q553 WeakPolarHBondContact O-CB 3.21Å; Y550-Q553 PolarHBondContact O-N 3.33Å; Q553-R555 PolarHBondContact O-N 2.8Å; Q553-I556 WeakPolarHBondContact O-CB 3.42Å; Q553-I556 PolarHBondContact O-N 2.87Å; Q553-I556 VanDerWaalsContact O-N 3.14Å; Q553-N557 PolarHBondContact O-N 3.06Å; Q553-N557 PolarHBondContact O-OD1 2.94Å
554R53.4Low52.8Low172 Ų17289.3 Ų89.365%0.64948%0.479SS*.Hα-helixtrans-63.3-41.8-179.5-170.5174.6-179.3179.41.4112.1Y550 R552 S558Y550-R554 WeakPolarHBondContact O-CB 3.41Å; Y550-R554 PolarHBondContact O-N 3.32Å; R552-R554 VanDerWaalsContact C-N 3.33Å; R552-R554 PolarHBondContact O-N 2.9Å; R554-S558 PolarHBondContact O-N 3.37Å; R554-S558 PolarHBondContact O-OG 3.06Å
555R52.2Low51.1Low126 Ų12692.8 Ų92.848%0.47551%0.506SS..Hα-helixtrans-73.5-26173.5-66.1-171.3-153.3-163.36.1113.2E551 R552 Q553 S558 Y559E551-R555 WeakPolarHBondContact O-CG 3.29Å; E551-R555 PolarHBondContact O-N 3.49Å; E551-R555 VanDerWaalsContact O-N 3.16Å; R552-R555 PolarHBondContact O-N 3.04Å; Q553-R555 PolarHBondContact O-N 2.8Å; R555-S558 WeakPolarHBondContact CA-OG 3.4Å; R555-S558 PolarHBondContact O-OG 3.31Å; R555-Y559 WeakPolarHBondContact O-CD2 3.24Å; R555-Y559 WeakPolarHBondContact O-CE2 3.48Å
556I51.1Low49.3Very low36 Ų3696.4 Ų96.419%0.18552%0.521CS..Hα-helixtrans-71.9-43.2176-76.7164.6000110.3V387 R552 Q553 S558 Y559 F562V387-I556 HydrophobicContact CG2-CD1 4.16Å; R552-I556 HydrophobicContact CB-CD1 4.3Å; R552-I556 WeakPolarHBondContact O-CB 3.32Å; R552-I556 WeakPolarHBondContact O-CD1 3.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.48Å; R552-I556 PolarHBondContact O-N 3.23Å; Q553-I556 WeakPolarHBondContact O-CB 3.42Å; Q553-I556 PolarHBondContact O-N 2.87Å; Q553-I556 VanDerWaalsContact O-N 3.14Å; I556-S558 PolarHBondContact O-N 2.9Å; I556-Y559 PolarHBondContact O-N 2.9Å; I556-F562 HydrophobicContact CG2-CD2 3.58Å; I556-F562 HydrophobicContact CG2-CE2 3.79Å; I556-F562 HydrophobicContact CG2-CG 4.17Å
557N49.5Very low47.7Very low119 Ų11999 Ų9964%0.63653%0.533SS*.Hα-helixtrans-68.3-33179.3-70.41.4000112.4Q553 Y559 G560Q553-N557 PolarHBondContact O-N 3.06Å; Q553-N557 PolarHBondContact O-OD1 2.94Å; N557-Y559 PolarHBondContact O-N 2.74Å; N557-Y559 VanDerWaalsContact O-N 3.11Å; N557-G560 PolarHBondContact O-N 2.71Å
558S53.2Low46Very low81 Ų81101.1 Ų101.157%0.56656%0.56SS**THydrogen-bonded Turntrans-70.42.8173.461.60000115R554 R555 I556R554-S558 PolarHBondContact O-N 3.37Å; R554-S558 PolarHBondContact O-OG 3.06Å; R555-S558 WeakPolarHBondContact CA-OG 3.4Å; R555-S558 PolarHBondContact O-OG 3.31Å; I556-S558 PolarHBondContact O-N 2.9Å
559Y46.7Very low44.1Very low141 Ų141103.8 Ų103.855%0.55359%0.585SS**THydrogen-bonded Turntrans-125.936.7174.1-62.2-54.1000111.1R555 I556 N557 T561R555-Y559 WeakPolarHBondContact O-CD2 3.24Å; R555-Y559 WeakPolarHBondContact O-CE2 3.48Å; I556-Y559 PolarHBondContact O-N 2.9Å; N557-Y559 PolarHBondContact O-N 2.74Å; N557-Y559 VanDerWaalsContact O-N 3.11Å; Y559-T561 PolarHBondContact O-N 3.44Å
560G35.1Very low42.6Very low56 Ų56103.7 Ų103.758%0.57761%0.605SS**  trans-39.4114.1-164.600000116.8N557N557-G560 PolarHBondContact O-N 2.71Å
561T39.6Very low41.3Very low137 Ų13799 Ų9984%0.8461%0.608SS**  trans171.558.8151.428.50000111.4Y559Y559-T561 PolarHBondContact O-N 3.44Å
562F34.9Very low39.8Very low122 Ų122100 Ų10054%0.53562%0.62SS.*  trans-107.195.8176.5-73.1-85.3000112.1I556I556-F562 HydrophobicContact CG2-CD2 3.58Å; I556-F562 HydrophobicContact CG2-CE2 3.79Å; I556-F562 HydrophobicContact CG2-CG 4.17Å
563G32.3Very low38.7Very low69 Ų69103 Ų10371%0.71165%0.651SS**  trans-143.4133.2178.200000114.9
564A32.2Very low38.3Very low77 Ų77102.9 Ų102.964%0.63666%0.655SS**  trans58.9107.8171.700000118.7K576A564-K576 PolarHBondContact O-NZ 2.99Å
565S33.2Very low37.4Very low97 Ų9798.8 Ų98.868%0.67866%0.658SS**  74.3145.273.2-159.20000113
566K31Very low36.6Very low179 Ų179100.5 Ų100.578%0.77867%0.669SS**  cis-155.3164-2-138.4173.6-174.4-179.30110.8
567T36.9Very low36.1Very low140 Ų140103.9 Ų103.986%0.85968%0.682SS**  trans61.6147.1165.966.80000119.1
568G30Very low35.6Very low65 Ų65107.4 Ų107.467%0.6770%0.695SS**  cis-177.7128.6-1100000112.1
569A27.7Very low34.9Very low110 Ų110108.3 Ų108.391%0.90969%0.694SS**SBendtrans35.9107.5166.400000121.7
570G26.8Very low34.7Very low87 Ų87106.4 Ų106.490%0.89770%0.698SS**SBendtrans149.2-51.6152.500000118
571G30.3Very low34.9Very low69 Ų69112.3 Ų112.371%0.71171%0.708SS**  trans-153.642.7-165.300000115.3A573G571-A573 PolarHBondContact O-N 3.03Å
572V29.7Very low35.2Very low112 Ų112106.9 Ų106.968%0.67968%0.676SS**  trans-9479.3-160.3-167.40000113.7A575V572-A575 HydrophobicContact CG1-CB 4.33Å
573A34.3Very low35.7Very low94 Ų94110.6 Ų110.678%0.77769%0.686SS**SBendtrans-116.9-3.6159.700000113.4G571G571-A573 PolarHBondContact O-N 3.03Å
574V43.6Very low36.5Very low72 Ų72115 Ų11544%0.43669%0.686SS.*SBendtrans-128.4-7-160.5-170.30000113.9K576 F577 A586V574-K576 PolarHBondContact O-N 3.33Å; V574-F577 HydrophobicContact CG1-CD2 4.13Å; V574-F577 HydrophobicContact CG1-CE2 4.3Å; V574-F577 VanDerWaalsContact O-CD2 3.26Å; V574-F577 WeakPolarHBondContact O-CD2 3.47Å; V574-A586 HydrophobicContact CG1-CB 3.56Å
575A34.9Very low37.2Very low86 Ų86118 Ų11871%0.71169%0.685SS**THydrogen-bonded Turntrans-87.314.2-163.200000117.7V572V572-A575 HydrophobicContact CG1-CB 4.33Å
576K35.9Very low37.7Very low161 Ų161114.8 Ų114.870%0.766%0.664SS**THydrogen-bonded Turntrans-127.127.7176.6-108.1-167.3-177.9-168.70114.3A564 V574 Q578A564-K576 PolarHBondContact O-NZ 2.99Å; V574-K576 PolarHBondContact O-N 3.33Å; K576-Q578 PolarHBondContact O-N 3.24Å
577F40Very low38.8Very low107 Ų107108.9 Ų108.947%0.46965%0.649SS.*  trans-88.895.7173.5-73.6-65.7000111.4V574 D579 S582V574-F577 HydrophobicContact CG1-CD2 4.13Å; V574-F577 HydrophobicContact CG1-CE2 4.3Å; V574-F577 VanDerWaalsContact O-CD2 3.26Å; V574-F577 WeakPolarHBondContact O-CD2 3.47Å; F577-D579 VanDerWaalsContact C-N 3.3Å; F577-S582 WeakPolarHBondContact CB-OG 3.3Å; F577-S582 WeakPolarHBondContact CD1-OG 3.28Å; F577-S582 WeakPolarHBondContact CD2-OG 3.18Å; F577-S582 WeakPolarHBondContact CG-OG 3.19Å
578Q38.6Very low39.8Very low193 Ų193107.6 Ų107.690%0.90263%0.631SS**  trans-82.4-6.5-179.8-141.6155.3-22.300113.2K576K576-Q578 PolarHBondContact O-N 3.24Å
579D39.2Very low40.8Very low101 Ų101108 Ų10854%0.5462%0.621SS.*SBendtrans-83130.7176.9-69.4-48.9000113.1F577 K581 S582 R583F577-D579 VanDerWaalsContact C-N 3.3Å; D579-K581 PolarHBondContact O-N 3.4Å; D579-K581 VanDerWaalsContact O-N 3.11Å; D579-S582 PolarHBondContact O-N 3.48Å; D579-R583 PolarHBondContact O-N 3.39Å
580P43Very low42.4Very low100 Ų100108.9 Ų108.965%0.64961%0.606SS**Hα-helixtrans-63.8-21.8-178.724.9-34.1000113.9
581K39.2Very low44.2Very low181 Ų181110.9 Ų110.979%0.78759%0.588SS**Hα-helixtrans-73.6-30.7175.2-69.5177.1-179.8170.40112.6D579D579-K581 PolarHBondContact O-N 3.4Å; D579-K581 VanDerWaalsContact O-N 3.11Å
582S44.8Very low45.8Very low22 Ų22111.6 Ų111.615%0.15458%0.575CS.*Hα-helixtrans-80.7-32.3180-173.70000112.7F577 D579 K584 F585 A586F577-S582 WeakPolarHBondContact CB-OG 3.3Å; F577-S582 WeakPolarHBondContact CD1-OG 3.28Å; F577-S582 WeakPolarHBondContact CD2-OG 3.18Å; F577-S582 WeakPolarHBondContact CG-OG 3.19Å; D579-S582 PolarHBondContact O-N 3.48Å; S582-K584 PolarHBondContact O-N 2.85Å; S582-F585 PolarHBondContact O-N 3.38Å; S582-A586 PolarHBondContact O-N 2.89Å
583R46.2Very low47.3Very low200 Ų200109.8 Ų109.876%0.75557%0.567SS**Hα-helixtrans-51.7-38.6169.2-105-176.4175.3178.8-0.9112.7D579 A587D579-R583 PolarHBondContact O-N 3.39Å; R583-A587 WeakPolarHBondContact O-CB 2.94Å; R583-A587 PolarHBondContact O-N 2.97Å
584K48.7Very low48.9Very low161 Ų161109.8 Ų109.870%0.755%0.554SS**Hα-helixtrans-65.5-39.9176.9-65.5-178.3180179.50112.4S582 F588S582-K584 PolarHBondContact O-N 2.85Å; K584-F588 VanDerWaalsContact O-CB 3.29Å; K584-F588 WeakPolarHBondContact O-CB 3.44Å; K584-F588 PolarHBondContact O-N 3.22Å
585F47Very low50.1Low141 Ų141110.5 Ų110.562%0.61855%0.551SS**Hα-helixtrans-71.1-42.1177.6-173-101.6000111.8S582 F588 V589S582-F585 PolarHBondContact O-N 3.38Å; F585-F588 PolarHBondContact O-N 3.29Å; F585-V589 HydrophobicContact CD1-CG2 4.2Å; F585-V589 HydrophobicContact CE1-CG2 3.83Å; F585-V589 HydrophobicContact CE2-CG2 4.44Å; F585-V589 HydrophobicContact CZ-CG2 3.96Å; F585-V589 WeakPolarHBondContact O-CG2 3.2Å; F585-V589 PolarHBondContact O-N 3Å
586A44.6Very low51.7Low29 Ų29109.2 Ų109.224%0.2453%0.534CS..Hα-helixtrans-58.8-49.5173.800000111.9V574 S582 F588 V589 E590V574-A586 HydrophobicContact CG1-CB 3.56Å; S582-A586 PolarHBondContact O-N 2.89Å; A586-F588 VanDerWaalsContact C-N 3.3Å; A586-F588 PolarHBondContact O-N 3.46Å; A586-V589 PolarHBondContact O-N 3.33Å; A586-E590 WeakPolarHBondContact O-CB 3.27Å; A586-E590 PolarHBondContact O-N 3.46Å
587A54.3Low53.3Low56 Ų56101.8 Ų101.846%0.46350%0.503SS..Hα-helixtrans-64.5-32.3176.600000112.9R583 Y591R583-A587 WeakPolarHBondContact O-CB 2.94Å; R583-A587 PolarHBondContact O-N 2.97Å; A587-Y591 WeakPolarHBondContact O-CB 3.5Å; A587-Y591 PolarHBondContact O-N 3.44Å
588F56.4Low54.8Low112 Ų11299.1 Ų99.149%0.49150%0.495SS..Hα-helixtrans-67.7-44.5173.1175.5-100.3000112.1K584 F585 A586 E590 Y591 L592K584-F588 VanDerWaalsContact O-CB 3.29Å; K584-F588 WeakPolarHBondContact O-CB 3.44Å; K584-F588 PolarHBondContact O-N 3.22Å; F585-F588 PolarHBondContact O-N 3.29Å; A586-F588 VanDerWaalsContact C-N 3.3Å; A586-F588 PolarHBondContact O-N 3.46Å; F588-E590 VanDerWaalsContact C-N 3.33Å; F588-E590 PolarHBondContact O-N 3.12Å; F588-Y591 PolarHBondContact O-N 2.97Å; F588-L592 HydrophobicContact CE1-CD2 4.26Å; F588-L592 HydrophobicContact CZ-CD2 4.47Å; F588-L592 VanDerWaalsContact O-CB 3.24Å; F588-L592 WeakPolarHBondContact O-CB 3.5Å; F588-L592 PolarHBondContact O-N 3.25Å
589V52.3Low56.8Low74 Ų7496.2 Ų96.245%0.44848%0.477SS..Hα-helixtrans-64.5-38.7176.2171.90000111F585 A586 S593F585-V589 HydrophobicContact CD1-CG2 4.2Å; F585-V589 HydrophobicContact CE1-CG2 3.83Å; F585-V589 HydrophobicContact CE2-CG2 4.44Å; F585-V589 HydrophobicContact CZ-CG2 3.96Å; F585-V589 WeakPolarHBondContact O-CG2 3.2Å; F585-V589 PolarHBondContact O-N 3Å; A586-V589 PolarHBondContact O-N 3.33Å; V589-S593 VanDerWaalsContact O-CB 3.22Å; V589-S593 WeakPolarHBondContact O-CB 3.38Å; V589-S593 PolarHBondContact O-N 2.95Å
590E61.7Low58.9Low129 Ų12992.7 Ų92.760%0.60346%0.457SS*.Hα-helixtrans-67.3-44.3174.7-172.2176.6-173.900112.4A586 F588 S593 N594A586-E590 WeakPolarHBondContact O-CB 3.27Å; A586-E590 PolarHBondContact O-N 3.46Å; F588-E590 VanDerWaalsContact C-N 3.33Å; F588-E590 PolarHBondContact O-N 3.12Å; E590-S593 PolarHBondContact O-N 3.04Å; E590-N594 WeakPolarHBondContact O-CB 3.11Å; E590-N594 PolarHBondContact O-N 3.4Å
591Y63.9Low60.8Low129 Ų12988.5 Ų88.551%0.50643%0.429SS..Hα-helixtrans-59.9-46.6173.3172.2-95.3000111.7A587 F588 N594 K595A587-Y591 WeakPolarHBondContact O-CB 3.5Å; A587-Y591 PolarHBondContact O-N 3.44Å; F588-Y591 PolarHBondContact O-N 2.97Å; Y591-N594 PolarHBondContact O-N 3.14Å; Y591-K595 HydrophobicContact CD1-CG 4.29Å; Y591-K595 HydrophobicContact CD2-CG 4.24Å; Y591-K595 HydrophobicContact CE1-CG 3.89Å; Y591-K595 HydrophobicContact CE2-CD 4.28Å; Y591-K595 VanDerWaalsContact CE2-CE 3.42Å; Y591-K595 HydrophobicContact CE2-CG 3.84Å; Y591-K595 HydrophobicContact CG-CG 4.45Å; Y591-K595 WeakPolarHBondContact O-CB 3Å; Y591-K595 VanDerWaalsContact O-CG 3.31Å; Y591-K595 WeakPolarHBondContact O-CG 3.29Å; Y591-K595 PolarHBondContact O-N 2.9Å; Y591-K595 WeakPolarHBondContact OH-CE 3.35Å
592L63.3Low62.9Low84 Ų8485.8 Ų85.844%0.4442%0.417SS..Hα-helixtrans-63.7-45178.9-172.966.9000110.7F588 K595 V596F588-L592 HydrophobicContact CE1-CD2 4.26Å; F588-L592 HydrophobicContact CZ-CD2 4.47Å; F588-L592 VanDerWaalsContact O-CB 3.24Å; F588-L592 WeakPolarHBondContact O-CB 3.5Å; F588-L592 PolarHBondContact O-N 3.25Å; L592-K595 PolarHBondContact O-N 3.15Å; L592-V596 HydrophobicContact CD1-CG2 4.23Å; L592-V596 HydrophobicContact CG-CG2 4.27Å; L592-V596 WeakPolarHBondContact O-CB 3.48Å; L592-V596 VanDerWaalsContact O-CG2 3.24Å; L592-V596 WeakPolarHBondContact O-CG2 3.26Å; L592-V596 PolarHBondContact O-N 3.37Å
593S61.3Low64.7Low74 Ų7488.1 Ų88.152%0.51743%0.43SS..Hα-helixtrans-57-50.6175-175.80000111.8V589 E590 K595 S597V589-S593 VanDerWaalsContact O-CB 3.22Å; V589-S593 WeakPolarHBondContact O-CB 3.38Å; V589-S593 PolarHBondContact O-N 2.95Å; E590-S593 PolarHBondContact O-N 3.04Å; S593-K595 PolarHBondContact O-N 3.48Å; S593-S597 WeakPolarHBondContact O-CB 3.38Å; S593-S597 PolarHBondContact O-N 3.45Å
594N68.8Low66.6Low94 Ų9478.6 Ų78.650%0.50339%0.394SS..Hα-helixtrans-61.3-43.7176.3-93-38.4000112.2E590 Y591 S597 V598E590-N594 WeakPolarHBondContact O-CB 3.11Å; E590-N594 PolarHBondContact O-N 3.4Å; Y591-N594 PolarHBondContact O-N 3.14Å; N594-S597 PolarHBondContact O-N 3.04Å; N594-S597 PolarHBondContact O-OG 3.31Å; N594-V598 WeakPolarHBondContact O-CG2 3.21Å; N594-V598 PolarHBondContact O-N 3.47Å
595K67.2Low68.3Low86 Ų8672 Ų7237%0.37437%0.368SS..Hα-helixtrans-68.4-43.9-180-72.9-68.2-177.3-178.40112.9Y591 L592 S593 S597 V598 Y599Y591-K595 HydrophobicContact CD1-CG 4.29Å; Y591-K595 HydrophobicContact CD2-CG 4.24Å; Y591-K595 HydrophobicContact CE1-CG 3.89Å; Y591-K595 HydrophobicContact CE2-CD 4.28Å; Y591-K595 VanDerWaalsContact CE2-CE 3.42Å; Y591-K595 HydrophobicContact CE2-CG 3.84Å; Y591-K595 HydrophobicContact CG-CG 4.45Å; Y591-K595 WeakPolarHBondContact O-CB 3Å; Y591-K595 VanDerWaalsContact O-CG 3.31Å; Y591-K595 WeakPolarHBondContact O-CG 3.29Å; Y591-K595 PolarHBondContact O-N 2.9Å; Y591-K595 WeakPolarHBondContact OH-CE 3.35Å; L592-K595 PolarHBondContact O-N 3.15Å; S593-K595 PolarHBondContact O-N 3.48Å; K595-S597 VanDerWaalsContact C-N 3.27Å; K595-S597 PolarHBondContact O-N 3.14Å; K595-V598 PolarHBondContact O-N 2.92Å; K595-Y599 HydrophobicContact CD-CE2 4.2Å; K595-Y599 VanDerWaalsContact O-CD2 3.3Å; K595-Y599 WeakPolarHBondContact O-CD2 3.36Å; K595-Y599 PolarHBondContact O-N 3.5Å; K595-Y599 VanDerWaalsContact O-N 3.17Å
596V69.9Low70.1Confident59 Ų5969.4 Ų69.436%0.35836%0.364SS..Hα-helixtrans-57.8-44.2174.1170.10000109.6L592 V598 Y599 F600 F725L592-V596 HydrophobicContact CD1-CG2 4.23Å; L592-V596 HydrophobicContact CG-CG2 4.27Å; L592-V596 WeakPolarHBondContact O-CB 3.48Å; L592-V596 VanDerWaalsContact O-CG2 3.24Å; L592-V596 WeakPolarHBondContact O-CG2 3.26Å; L592-V596 PolarHBondContact O-N 3.37Å; V596-V598 VanDerWaalsContact C-N 3.26Å; V596-V598 PolarHBondContact O-N 3.01Å; V596-Y599 PolarHBondContact O-N 3.09Å; V596-F600 HydrophobicContact CG1-CD2 4.21Å; V596-F600 WeakPolarHBondContact O-CB 3.39Å; V596-F600 PolarHBondContact O-N 2.81Å; V596-F725 HydrophobicContact CG1-CE1 3.96Å; V596-F725 HydrophobicContact CG1-CZ 3.91Å
597S68.8Low72.1Confident6 Ų669.7 Ų69.74%0.04236%0.362CS..Hα-helixtrans-62-27.5179.482.20000115S593 N594 K595 P728S593-S597 WeakPolarHBondContact O-CB 3.38Å; S593-S597 PolarHBondContact O-N 3.45Å; N594-S597 PolarHBondContact O-N 3.04Å; N594-S597 PolarHBondContact O-OG 3.31Å; K595-S597 VanDerWaalsContact C-N 3.27Å; K595-S597 PolarHBondContact O-N 3.14Å; S597-P728 VanDerWaalsContact OG-CB 3.23Å; S597-P728 WeakPolarHBondContact OG-CB 3.29Å
598V72.7Confident73.8Confident51 Ų5167 Ų6731%0.30934%0.34SS..Hα-helixtrans-82.9-35.8177.4172.10000111.9N594 K595 V596 A732N594-V598 WeakPolarHBondContact O-CG2 3.21Å; N594-V598 PolarHBondContact O-N 3.47Å; K595-V598 PolarHBondContact O-N 2.92Å; V596-V598 VanDerWaalsContact C-N 3.26Å; V596-V598 PolarHBondContact O-N 3.01Å; V598-A732 HydrophobicContact CG2-CB 4.08Å
599Y80.1Confident75.3Confident132 Ų13263 Ų6352%0.51832%0.324SS..Hα-helixtrans-96.6-9.8-174.2-67.4-62.3000114.9K595 V596 I601 F602K595-Y599 HydrophobicContact CD-CE2 4.2Å; K595-Y599 VanDerWaalsContact O-CD2 3.3Å; K595-Y599 WeakPolarHBondContact O-CD2 3.36Å; K595-Y599 PolarHBondContact O-N 3.5Å; K595-Y599 VanDerWaalsContact O-N 3.17Å; V596-Y599 PolarHBondContact O-N 3.09Å; Y599-I601 PolarHBondContact O-N 3.34Å; Y599-F602 HydrophobicContact CD1-CD2 4.02Å; Y599-F602 AromaticContact CD1-CE2 3.94Å; Y599-F602 HydrophobicContact CD1-CE2 3.94Å; Y599-F602 PolarHBondContact O-N 3.18Å
600F83Confident76.8Confident27 Ų2763 Ų6312%0.11832%0.324CS..Hα-helixtrans-56.8-27.7-177.9-155.5-94.5000113.7V596 F602 V603 V604 V717 L720 Q721 F725V596-F600 HydrophobicContact CG1-CD2 4.21Å; V596-F600 WeakPolarHBondContact O-CB 3.39Å; V596-F600 PolarHBondContact O-N 2.81Å; F600-F602 PolarHBondContact O-N 3.35Å; F600-V603 WeakPolarHBondContact O-CA 3.1Å; F600-V603 WeakPolarHBondContact O-CB 3.33Å; F600-V603 PolarHBondContact O-N 3.43Å; F600-V604 HydrophobicContact CD1-CG2 3.75Å; F600-V604 HydrophobicContact CE1-CG2 3.86Å; F600-V604 PolarHBondContact O-N 3.16Å; F600-V604 VanDerWaalsContact O-N 3.08Å; F600-V717 HydrophobicContact CE1-CG1 4.05Å; F600-V717 HydrophobicContact CZ-CG1 4.26Å; F600-L720 HydrophobicContact CE1-CB 4.37Å; F600-L720 HydrophobicContact CZ-CB 4.11Å; F600-Q721 HydrophobicContact CD1-CB 3.94Å; F600-Q721 HydrophobicContact CE1-CB 3.97Å; F600-F725 HydrophobicContact CB-CB 4.19Å; F600-F725 HydrophobicContact CB-CD2 4Å; F600-F725 HydrophobicContact CB-CG 4.16Å; F600-F725 AromaticContact CD1-CD2 3.63Å; F600-F725 HydrophobicContact CD1-CD2 3.63Å; F600-F725 HydrophobicContact CD1-CE2 4.24Å; F600-F725 HydrophobicContact CD1-CG 4.47Å; F600-F725 AromaticContact CD2-CD2 3.6Å; F600-F725 HydrophobicContact CD2-CD2 3.6Å; F600-F725 AromaticContact CD2-CE2 3.5Å; F600-F725 HydrophobicContact CD2-CE2 3.5Å; F600-F725 VanDerWaalsContact CD2-CE2 3.5Å; F600-F725 HydrophobicContact CD2-CG 4.44Å; F600-F725 HydrophobicContact CD2-CZ 4.28Å; F600-F725 AromaticContact CE1-CD2 3.91Å; F600-F725 HydrophobicContact CE1-CD2 3.91Å; F600-F725 HydrophobicContact CE1-CE2 4.22Å; F600-F725 AromaticContact CE2-CD2 3.89Å; F600-F725 HydrophobicContact CE2-CD2 3.89Å; F600-F725 AromaticContact CE2-CE2 3.49Å; F600-F725 HydrophobicContact CE2-CE2 3.49Å; F600-F725 VanDerWaalsContact CE2-CE2 3.49Å; F600-F725 HydrophobicContact CE2-CZ 4.4Å; F600-F725 HydrophobicContact CG-CB 4.46Å; F600-F725 AromaticContact CG-CD2 3.45Å; F600-F725 HydrophobicContact CG-CD2 3.45Å; F600-F725 VanDerWaalsContact CG-CD2 3.45Å; F600-F725 AromaticContact CG-CE2 3.89Å; F600-F725 HydrophobicContact CG-CE2 3.89Å; F600-F725 HydrophobicContact CG-CG 4.12Å; F600-F725 HydrophobicContact CZ-CD2 4.04Å; F600-F725 AromaticContact CZ-CE2 3.86Å; F600-F725 HydrophobicContact CZ-CE2 3.86Å
601I83Confident77.9Confident12 Ų1257.2 Ų57.26%0.06230%0.298CS..Hα-helixtrans-58.7-32.9176.7-163.1166.6000113.3Y599 S605 Y642 W650 W729Y599-I601 PolarHBondContact O-N 3.34Å; I601-S605 PolarHBondContact O-N 3.14Å; I601-Y642 WeakPolarHBondContact CD1-OH 3.14Å; I601-W650 HydrophobicContact CD1-CZ2 4.18Å; I601-W650 HydrophobicContact CG1-CZ2 3.85Å; I601-W729 HydrophobicContact CD1-CD2 4.25Å; I601-W729 HydrophobicContact CD1-CH2 4.03Å; I601-W729 HydrophobicContact CD1-CZ2 3.49Å; I601-W729 VanDerWaalsContact CD1-CZ2 3.49Å
602F82.4Confident78.9Confident124 Ų12451.1 Ų51.154%0.54427%0.274SS..Hα-helixtrans-69.8-38174.3-65.9-73.4000111.4Y599 F600 V604 S605 V606Y599-F602 HydrophobicContact CD1-CD2 4.02Å; Y599-F602 AromaticContact CD1-CE2 3.94Å; Y599-F602 HydrophobicContact CD1-CE2 3.94Å; Y599-F602 PolarHBondContact O-N 3.18Å; F600-F602 PolarHBondContact O-N 3.35Å; F602-V604 PolarHBondContact O-N 3.46Å; F602-S605 PolarHBondContact O-N 3.36Å; F602-V606 WeakPolarHBondContact O-CB 3.32Å; F602-V606 VanDerWaalsContact O-CG2 3.31Å; F602-V606 WeakPolarHBondContact O-CG2 3.42Å; F602-V606 PolarHBondContact O-N 3.39Å
603V83.2Confident79.8Confident71 Ų7147.2 Ų47.243%0.4325%0.253SS..Hα-helixtrans-60.4-47175.3-176.30000110.1F600 S605 V606 V607F600-V603 WeakPolarHBondContact O-CA 3.1Å; F600-V603 WeakPolarHBondContact O-CB 3.33Å; F600-V603 PolarHBondContact O-N 3.43Å; V603-S605 PolarHBondContact O-N 3.45Å; V603-V606 PolarHBondContact O-N 3.06Å; V603-V607 HydrophobicContact CG1-CG2 4.42Å; V603-V607 WeakPolarHBondContact O-CG2 3.47Å; V603-V607 PolarHBondContact O-N 3.12Å
604V86.4Confident80.6Confident0 Ų046 Ų460%024%0.244CC..Hα-helixtrans-62.8-41.9177.2-167.20000111.4F600 F602 V606 V607 L608 W650 V717 T718 Q721F600-V604 HydrophobicContact CD1-CG2 3.75Å; F600-V604 HydrophobicContact CE1-CG2 3.86Å; F600-V604 PolarHBondContact O-N 3.16Å; F600-V604 VanDerWaalsContact O-N 3.08Å; F602-V604 PolarHBondContact O-N 3.46Å; V604-V606 VanDerWaalsContact C-N 3.32Å; V604-V606 PolarHBondContact O-N 3.05Å; V604-V607 PolarHBondContact O-N 3.03Å; V604-L608 WeakPolarHBondContact O-CB 3.45Å; V604-L608 PolarHBondContact O-N 3.29Å; V604-W650 HydrophobicContact CB-CH2 4.12Å; V604-W650 HydrophobicContact CB-CZ3 4.07Å; V604-W650 HydrophobicContact CG1-CE3 3.76Å; V604-W650 HydrophobicContact CG1-CH2 3.85Å; V604-W650 HydrophobicContact CG1-CZ3 3.29Å; V604-V717 HydrophobicContact CG2-CG1 4.03Å; V604-T718 HydrophobicContact CG1-CG2 4.03Å; V604-Q721 HydrophobicContact CG2-CB 3.9Å; V604-Q721 HydrophobicContact CG2-CG 4.05Å
605S84.7Confident80.9Confident21 Ų2144.4 Ų44.415%0.14723%0.233CC..Hα-helixtrans-69-27.1178.9-163.90000113.9I601 F602 V603 L609 W628 N631I601-S605 PolarHBondContact O-N 3.14Å; F602-S605 PolarHBondContact O-N 3.36Å; V603-S605 PolarHBondContact O-N 3.45Å; S605-L609 PolarHBondContact O-N 2.88Å; S605-W628 PolarHBondContact O-NE1 3.49Å; S605-N631 PolarHBondContact OG-ND2 3.11Å
606V85.1Confident81.2Confident87 Ų8743.2 Ų43.253%0.52724%0.239SC..Hα-helixtrans-77.5-45.4173.6168.20000110.7F602 V603 V604 L608 L609 V610F602-V606 WeakPolarHBondContact O-CB 3.32Å; F602-V606 VanDerWaalsContact O-CG2 3.31Å; F602-V606 WeakPolarHBondContact O-CG2 3.42Å; F602-V606 PolarHBondContact O-N 3.39Å; V603-V606 PolarHBondContact O-N 3.06Å; V604-V606 VanDerWaalsContact C-N 3.32Å; V604-V606 PolarHBondContact O-N 3.05Å; V606-L608 VanDerWaalsContact C-N 3.27Å; V606-L608 PolarHBondContact O-N 3.42Å; V606-L609 PolarHBondContact O-N 2.85Å; V606-L609 VanDerWaalsContact O-N 3.12Å; V606-V610 HydrophobicContact CG1-CG2 4.35Å; V606-V610 WeakPolarHBondContact O-CG2 3.29Å; V606-V610 PolarHBondContact O-N 3.41Å
607V86.3Confident81.6Confident35 Ų3541.8 Ų41.821%0.21223%0.231CC..Hα-helixtrans-60.9-38.3176175.70000110.8V603 V604 V610 V611 L714V603-V607 HydrophobicContact CG1-CG2 4.42Å; V603-V607 WeakPolarHBondContact O-CG2 3.47Å; V603-V607 PolarHBondContact O-N 3.12Å; V604-V607 PolarHBondContact O-N 3.03Å; V607-V610 PolarHBondContact O-N 2.79Å; V607-V611 HydrophobicContact CG1-CG2 4.37Å; V607-V611 WeakPolarHBondContact O-CB 3.19Å; V607-V611 VanDerWaalsContact O-CG2 3.29Å; V607-V611 WeakPolarHBondContact O-CG2 3.23Å; V607-V611 PolarHBondContact O-N 2.78Å; V607-L714 HydrophobicContact CG1-CD1 3.98Å
608L89Confident82.2Confident0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-62.2-42.8173.5-176.763.8000112.5V604 V606 S612 F624 W628 F649 L653 L714V604-L608 WeakPolarHBondContact O-CB 3.45Å; V604-L608 PolarHBondContact O-N 3.29Å; V606-L608 VanDerWaalsContact C-N 3.27Å; V606-L608 PolarHBondContact O-N 3.42Å; L608-S612 WeakPolarHBondContact O-CB 3.37Å; L608-S612 PolarHBondContact O-N 3.27Å; L608-S612 VanDerWaalsContact O-N 3.09Å; L608-S612 PolarHBondContact O-OG 3.08Å; L608-F624 HydrophobicContact CD1-CB 4.18Å; L608-F624 HydrophobicContact CD1-CD1 3.75Å; L608-F624 HydrophobicContact CD1-CG 4.34Å; L608-W628 HydrophobicContact CD2-CB 4.05Å; L608-W628 HydrophobicContact CG-CB 4.26Å; L608-F649 HydrophobicContact CD2-CE1 4.5Å; L608-F649 HydrophobicContact CD2-CZ 4.23Å; L608-L653 HydrophobicContact CD1-CD1 4.08Å; L608-L653 HydrophobicContact CD1-CD2 4.34Å; L608-L714 HydrophobicContact CD1-CD2 4.48Å
609L87.9Confident82.8Confident29 Ų2944.7 Ų44.715%0.15224%0.241CC..Hα-helixtrans-63-49176-179.662000111.1S605 V606 V611 S612 T613 F625 W628S605-L609 PolarHBondContact O-N 2.88Å; V606-L609 PolarHBondContact O-N 2.85Å; V606-L609 VanDerWaalsContact O-N 3.12Å; L609-V611 PolarHBondContact O-N 2.88Å; L609-S612 WeakPolarHBondContact CA-OG 3.24Å; L609-S612 CarbonylContact O-C 3.48Å; L609-S612 WeakPolarHBondContact O-CA 3.31Å; L609-S612 PolarHBondContact O-N 3.31Å; L609-S612 PolarHBondContact O-OG 3.17Å; L609-T613 HydrophobicContact CD1-CG2 3.93Å; L609-T613 PolarHBondContact O-N 2.94Å; L609-T613 PolarHBondContact O-OG1 3.48Å; L609-T613 VanDerWaalsContact O-OG1 3.05Å; L609-F625 HydrophobicContact CD1-CD2 4.41Å; L609-F625 HydrophobicContact CD1-CE2 4.27Å; L609-W628 HydrophobicContact CD1-CD2 3.96Å; L609-W628 HydrophobicContact CD1-CE3 4.2Å; L609-W628 HydrophobicContact CD1-CG 4.46Å; L609-W628 HydrophobicContact CD1-CH2 4.28Å; L609-W628 HydrophobicContact CD1-CZ2 4.03Å; L609-W628 HydrophobicContact CD1-CZ3 4.35Å; L609-W628 HydrophobicContact CD2-CZ2 3.97Å
610V85Confident83.1Confident72 Ų7240.1 Ų40.144%0.43622%0.222SC..Hα-helixtrans-56.8-49.3178.7169.30000111.3V606 V607 S612 T613 C614V606-V610 HydrophobicContact CG1-CG2 4.35Å; V606-V610 WeakPolarHBondContact O-CG2 3.29Å; V606-V610 PolarHBondContact O-N 3.41Å; V607-V610 PolarHBondContact O-N 2.79Å; V610-S612 PolarHBondContact O-N 3.37Å; V610-T613 PolarHBondContact O-N 3.09Å; V610-C614 WeakPolarHBondContact O-CB 3.4Å; V610-C614 PolarHBondContact O-N 3.13Å
611V84Confident83.3Confident9 Ų938.9 Ų38.96%0.05522%0.217CC..Hα-helixtrans-62-30176.8173.20000111.7V607 L609 N621 F624 A710 L714V607-V611 HydrophobicContact CG1-CG2 4.37Å; V607-V611 WeakPolarHBondContact O-CB 3.19Å; V607-V611 VanDerWaalsContact O-CG2 3.29Å; V607-V611 WeakPolarHBondContact O-CG2 3.23Å; V607-V611 PolarHBondContact O-N 2.78Å; L609-V611 PolarHBondContact O-N 2.88Å; V611-N621 PolarHBondContact O-OD1 2.69Å; V611-F624 HydrophobicContact CG1-CD2 3.99Å; V611-F624 HydrophobicContact CG1-CE2 4.06Å; V611-A710 HydrophobicContact CG2-CB 4.43Å; V611-L714 HydrophobicContact CG1-CD2 4.38Å
612S84.9Confident83.5Confident1 Ų139.3 Ų39.31%0.00722%0.219CC..Hα-helixtrans-82.2-18.2178.373.10000115.8L608 L609 V610L608-S612 WeakPolarHBondContact O-CB 3.37Å; L608-S612 PolarHBondContact O-N 3.27Å; L608-S612 VanDerWaalsContact O-N 3.09Å; L608-S612 PolarHBondContact O-OG 3.08Å; L609-S612 WeakPolarHBondContact CA-OG 3.24Å; L609-S612 CarbonylContact O-C 3.48Å; L609-S612 WeakPolarHBondContact O-CA 3.31Å; L609-S612 PolarHBondContact O-N 3.31Å; L609-S612 PolarHBondContact O-OG 3.17Å; V610-S612 PolarHBondContact O-N 3.37Å
613T81.9Confident83.8Confident1 Ų137.4 Ų37.41%0.00621%0.214CC..Hα-helixtrans-120.8-18.5-172.758.10000115.7L609 V610 F625 P893L609-T613 HydrophobicContact CD1-CG2 3.93Å; L609-T613 PolarHBondContact O-N 2.94Å; L609-T613 PolarHBondContact O-OG1 3.48Å; L609-T613 VanDerWaalsContact O-OG1 3.05Å; V610-T613 PolarHBondContact O-N 3.09Å; T613-F625 HydrophobicContact CG2-CD2 4.19Å; T613-F625 HydrophobicContact CG2-CE2 4.38Å; T613-P893 WeakPolarHBondContact O-CD 3.49Å
614C78.7Confident84.1Confident49 Ų4934.1 Ų34.133%0.33119%0.194SC..SBendtrans-89.5-4.8-178.4-68.40000114.4V610V610-C614 WeakPolarHBondContact O-CB 3.4Å; V610-C614 PolarHBondContact O-N 3.13Å
615F75.1Confident84.2Confident61 Ų6134.1 Ų34.127%0.26819%0.194SC..SBendtrans-114.5159.1175.9-63.1-72.1000110.1N621 A710F615-N621 WeakPolarHBondContact CB-ND2 3.44Å; F615-A710 HydrophobicContact CE2-CB 3.5Å; F615-A710 HydrophobicContact CZ-CB 3.49Å; F615-A710 VanDerWaalsContact CZ-CB 3.49Å
616A73.5Confident84.4Confident61 Ų6134.8 Ų34.850%0.50420%0.201SC..  trans-51.5146.5175.400000111.6N618 N621A616-N618 PolarHBondContact O-N 2.9Å; A616-N621 PolarHBondContact O-ND2 3.5Å
617P77Confident84.6Confident28 Ų2832.7 Ų32.718%0.18219%0.187CC..  trans-73.765.2-172.130.9-36.3000113.6I622 Q852 L853P617-I622 HydrophobicContact CB-CD1 4.49Å; P617-I622 HydrophobicContact CB-CG1 4.48Å; P617-Q852 HydrophobicContact CG-CB 3.91Å; P617-L853 WeakPolarHBondContact O-CD2 3.48Å
618N82.5Confident84.8Confident32 Ų3231.4 Ų31.417%0.17118%0.178CC..  trans-75.2158.8171.9-59.3-8.8000110.7A616 Y620 N621 I622A616-N618 PolarHBondContact O-N 2.9Å; N618-Y620 VanDerWaalsContact C-N 3.27Å; N618-Y620 HydrophobicContact CB-CD1 4.18Å; N618-Y620 HydrophobicContact CB-CE1 3.99Å; N618-Y620 PolarHBondContact O-N 3.28Å; N618-Y620 VanDerWaalsContact O-N 3.13Å; N618-N621 PolarHBondContact O-N 2.85Å; N618-I622 PolarHBondContact O-N 3.05Å
619F85.6Confident84.7Confident87 Ų8731.7 Ų31.738%0.38218%0.18SC..Hα-helixtrans-53.1-38179.6-82.8-70.2000114.2L623 W686 A689 I690F619-L623 WeakPolarHBondContact O-CB 3.21Å; F619-L623 PolarHBondContact O-N 2.73Å; F619-W686 HydrophobicContact CE2-CE3 4.36Å; F619-W686 AromaticContact CE2-CZ3 3.91Å; F619-W686 HydrophobicContact CE2-CZ3 3.91Å; F619-W686 HydrophobicContact CZ-CZ3 4.12Å; F619-A689 HydrophobicContact CD2-CB 4.29Å; F619-A689 VanDerWaalsContact CD2-O 3.3Å; F619-A689 WeakPolarHBondContact CD2-O 3.34Å; F619-A689 HydrophobicContact CE2-CB 4.08Å; F619-A689 PolarHBondContact N-O 2.97Å; F619-I690 HydrophobicContact CD2-CG1 4.28Å
620Y85.9Confident84.5Confident35 Ų3533.3 Ų33.314%0.13719%0.189CC..Hα-helixtrans-70.5-31.317767.4-104.1000113.4N618 L623 F624 Y656 I690N618-Y620 VanDerWaalsContact C-N 3.27Å; N618-Y620 HydrophobicContact CB-CD1 4.18Å; N618-Y620 HydrophobicContact CB-CE1 3.99Å; N618-Y620 PolarHBondContact O-N 3.28Å; N618-Y620 VanDerWaalsContact O-N 3.13Å; Y620-L623 PolarHBondContact O-N 3.21Å; Y620-F624 HydrophobicContact CD2-CD2 4.26Å; Y620-F624 HydrophobicContact CD2-CE2 4Å; Y620-F624 WeakPolarHBondContact O-CD2 3.5Å; Y620-F624 PolarHBondContact O-N 3.12Å; Y620-Y656 WeakPolarHBondContact CA-OH 3.44Å; Y620-Y656 WeakPolarHBondContact CB-OH 3.31Å; Y620-I690 WeakPolarHBondContact CD1-O 3.48Å
621N86.6Confident84.6Confident1 Ų130.2 Ų30.21%0.00517%0.17CC..Hα-helixtrans-73.5-42.6176.3-71-28.6000111.5V611 F615 A616 N618 L623 F624 F625V611-N621 PolarHBondContact O-OD1 2.69Å; F615-N621 WeakPolarHBondContact CB-ND2 3.44Å; A616-N621 PolarHBondContact O-ND2 3.5Å; N618-N621 PolarHBondContact O-N 2.85Å; N621-L623 PolarHBondContact O-N 3.44Å; N621-F624 PolarHBondContact O-N 3.44Å; N621-F624 VanDerWaalsContact O-N 3.15Å; N621-F625 PolarHBondContact O-N 3.18Å
622I87.4Confident84.7Confident22 Ų2230.9 Ų30.911%0.11317%0.173CC..Hα-helixtrans-59.5-39171.9-63.3172.2000110.1P617 N618 F625 A626 L853P617-I622 HydrophobicContact CB-CD1 4.49Å; P617-I622 HydrophobicContact CB-CG1 4.48Å; N618-I622 PolarHBondContact O-N 3.05Å; I622-F625 PolarHBondContact O-N 3.1Å; I622-A626 WeakPolarHBondContact O-CB 3.4Å; I622-A626 PolarHBondContact O-N 3.41Å; I622-L853 HydrophobicContact CD1-CD1 4.02Å; I622-L853 HydrophobicContact CD1-CD2 3.98Å; I622-L853 HydrophobicContact CD1-CG 4.04Å
623L88.8Confident84.6Confident83 Ų8334.5 Ų34.544%0.43519%0.191SC..Hα-helixtrans-67.7-38.5175.1-171.258.6000112.7F619 Y620 N621 F625 A626 L627 Y656F619-L623 WeakPolarHBondContact O-CB 3.21Å; F619-L623 PolarHBondContact O-N 2.73Å; Y620-L623 PolarHBondContact O-N 3.21Å; N621-L623 PolarHBondContact O-N 3.44Å; L623-F625 VanDerWaalsContact C-N 3.34Å; L623-F625 PolarHBondContact O-N 3.35Å; L623-A626 PolarHBondContact O-N 2.71Å; L623-L627 VanDerWaalsContact O-CG 3.3Å; L623-L627 WeakPolarHBondContact O-CG 3.25Å; L623-L627 PolarHBondContact O-N 3.34Å; L623-Y656 HydrophobicContact CD2-CE2 4.18Å
624F90Very high84.8Confident2 Ų238.3 Ų38.31%0.00921%0.206CC..Hα-helixtrans-61-40.7170.6-73.8-56.1000112L608 V611 Y620 N621 L627 W628 L653 Y656 T657 L714L608-F624 HydrophobicContact CD1-CB 4.18Å; L608-F624 HydrophobicContact CD1-CD1 3.75Å; L608-F624 HydrophobicContact CD1-CG 4.34Å; V611-F624 HydrophobicContact CG1-CD2 3.99Å; V611-F624 HydrophobicContact CG1-CE2 4.06Å; Y620-F624 HydrophobicContact CD2-CD2 4.26Å; Y620-F624 HydrophobicContact CD2-CE2 4Å; Y620-F624 WeakPolarHBondContact O-CD2 3.5Å; Y620-F624 PolarHBondContact O-N 3.12Å; N621-F624 PolarHBondContact O-N 3.44Å; N621-F624 VanDerWaalsContact O-N 3.15Å; F624-L627 PolarHBondContact O-N 3.06Å; F624-W628 PolarHBondContact O-N 2.96Å; F624-L653 HydrophobicContact CD1-CD1 4.06Å; F624-L653 HydrophobicContact CE1-CD1 3.81Å; F624-Y656 HydrophobicContact CD1-CD1 4.3Å; F624-Y656 HydrophobicContact CD1-CE1 4.02Å; F624-Y656 AromaticContact CE1-CD1 3.53Å; F624-Y656 HydrophobicContact CE1-CD1 3.53Å; F624-Y656 AromaticContact CE1-CE1 3.49Å; F624-Y656 HydrophobicContact CE1-CE1 3.49Å; F624-Y656 VanDerWaalsContact CE1-CE1 3.49Å; F624-Y656 HydrophobicContact CE2-CE1 4.07Å; F624-Y656 AromaticContact CZ-CD1 3.79Å; F624-Y656 HydrophobicContact CZ-CD1 3.79Å; F624-Y656 AromaticContact CZ-CE1 3.51Å; F624-Y656 HydrophobicContact CZ-CE1 3.51Å; F624-T657 HydrophobicContact CE1-CG2 4.33Å; F624-T657 HydrophobicContact CZ-CG2 4.27Å; F624-L714 HydrophobicContact CD1-CD2 4.37Å; F624-L714 HydrophobicContact CE1-CD2 3.78Å; F624-L714 HydrophobicContact CZ-CD2 4.11Å
625F89.2Confident85Confident1 Ų137.2 Ų37.20%0.00420%0.197CC..Hα-helixtrans-65.8-42.3175.8-172-99.7000111.9L609 T613 N621 I622 L623 L627 W628 A629 A845 L846 M849 L897L609-F625 HydrophobicContact CD1-CD2 4.41Å; L609-F625 HydrophobicContact CD1-CE2 4.27Å; T613-F625 HydrophobicContact CG2-CD2 4.19Å; T613-F625 HydrophobicContact CG2-CE2 4.38Å; N621-F625 PolarHBondContact O-N 3.18Å; I622-F625 PolarHBondContact O-N 3.1Å; L623-F625 VanDerWaalsContact C-N 3.34Å; L623-F625 PolarHBondContact O-N 3.35Å; F625-L627 VanDerWaalsContact C-N 3.34Å; F625-L627 PolarHBondContact O-N 3.14Å; F625-W628 HydrophobicContact CD2-CE3 4.39Å; F625-W628 HydrophobicContact CE2-CE3 4.04Å; F625-W628 HydrophobicContact CE2-CZ3 4.09Å; F625-W628 HydrophobicContact CZ-CE3 4.39Å; F625-W628 HydrophobicContact CZ-CZ3 4.24Å; F625-W628 WeakPolarHBondContact O-CB 3.45Å; F625-W628 PolarHBondContact O-N 3.44Å; F625-W628 VanDerWaalsContact O-N 3.13Å; F625-A629 PolarHBondContact O-N 3.17Å; F625-A845 HydrophobicContact CE1-CB 4.16Å; F625-A845 HydrophobicContact CZ-CB 4.16Å; F625-L846 HydrophobicContact CD1-CD2 4Å; F625-L846 HydrophobicContact CE1-CD2 4.28Å; F625-M849 HydrophobicContact CB-CE 4.43Å; F625-M849 HydrophobicContact CB-SD 3.99Å; F625-M849 HydrophobicContact CD1-SD 3.51Å; F625-M849 VanDerWaalsContact CD1-SD 3.51Å; F625-M849 HydrophobicContact CD2-SD 3.96Å; F625-M849 HydrophobicContact CE1-SD 3.9Å; F625-M849 HydrophobicContact CE2-SD 4.31Å; F625-M849 HydrophobicContact CG-CE 4.47Å; F625-M849 HydrophobicContact CG-SD 3.54Å; F625-M849 VanDerWaalsContact CG-SD 3.54Å; F625-M849 HydrophobicContact CZ-SD 4.29Å; F625-L897 HydrophobicContact CE2-CD1 4.41Å; F625-L897 HydrophobicContact CZ-CD1 4.37Å
626A88.5Confident85.5Confident34 Ų3435.9 Ų35.928%0.28119%0.191SC..Hα-helixtrans-61.2-41.2175.200000111.9I622 L623 W628 A629 L630I622-A626 WeakPolarHBondContact O-CB 3.4Å; I622-A626 PolarHBondContact O-N 3.41Å; L623-A626 PolarHBondContact O-N 2.71Å; A626-W628 VanDerWaalsContact C-N 3.32Å; A626-W628 PolarHBondContact O-N 3.41Å; A626-A629 PolarHBondContact O-N 3.03Å; A626-L630 WeakPolarHBondContact O-CB 3.5Å; A626-L630 PolarHBondContact O-N 3.06Å
627L88.9Confident85.9Confident44 Ų4440 Ų4023%0.2320%0.197CC..Hα-helixtrans-64-34.6173.7-71.4170.8000112.4L623 F624 F625 N631 F649 L653L623-L627 VanDerWaalsContact O-CG 3.3Å; L623-L627 WeakPolarHBondContact O-CG 3.25Å; L623-L627 PolarHBondContact O-N 3.34Å; F624-L627 PolarHBondContact O-N 3.06Å; F625-L627 VanDerWaalsContact C-N 3.34Å; F625-L627 PolarHBondContact O-N 3.14Å; L627-N631 WeakPolarHBondContact O-CB 3.45Å; L627-N631 PolarHBondContact O-N 3.37Å; L627-N631 VanDerWaalsContact O-N 3.13Å; L627-F649 HydrophobicContact CB-CE2 4.25Å; L627-F649 HydrophobicContact CB-CZ 4.29Å; L627-F649 HydrophobicContact CD2-CE2 4.1Å; L627-L653 HydrophobicContact CD1-CD1 4.5Å
628W90.4Very high86.2Confident8 Ų840.4 Ų40.43%0.0320%0.201CC..Hα-helixtrans-69.5-45.2173.617890.2000112.6S605 L608 L609 F624 F625 A626 N631 L632 F842 I901S605-W628 PolarHBondContact O-NE1 3.49Å; L608-W628 HydrophobicContact CD2-CB 4.05Å; L608-W628 HydrophobicContact CG-CB 4.26Å; L609-W628 HydrophobicContact CD1-CD2 3.96Å; L609-W628 HydrophobicContact CD1-CE3 4.2Å; L609-W628 HydrophobicContact CD1-CG 4.46Å; L609-W628 HydrophobicContact CD1-CH2 4.28Å; L609-W628 HydrophobicContact CD1-CZ2 4.03Å; L609-W628 HydrophobicContact CD1-CZ3 4.35Å; L609-W628 HydrophobicContact CD2-CZ2 3.97Å; F624-W628 PolarHBondContact O-N 2.96Å; F625-W628 HydrophobicContact CD2-CE3 4.39Å; F625-W628 HydrophobicContact CE2-CE3 4.04Å; F625-W628 HydrophobicContact CE2-CZ3 4.09Å; F625-W628 HydrophobicContact CZ-CE3 4.39Å; F625-W628 HydrophobicContact CZ-CZ3 4.24Å; F625-W628 WeakPolarHBondContact O-CB 3.45Å; F625-W628 PolarHBondContact O-N 3.44Å; F625-W628 VanDerWaalsContact O-N 3.13Å; A626-W628 VanDerWaalsContact C-N 3.32Å; A626-W628 PolarHBondContact O-N 3.41Å; W628-N631 WeakPolarHBondContact O-CB 3.22Å; W628-N631 PolarHBondContact O-N 3.03Å; W628-L632 HydrophobicContact CD2-CD1 4.33Å; W628-L632 HydrophobicContact CE3-CD1 4.4Å; W628-L632 HydrophobicContact CH2-CD1 3.61Å; W628-L632 HydrophobicContact CZ2-CD1 3.52Å; W628-L632 HydrophobicContact CZ3-CD1 4.07Å; W628-L632 PolarHBondContact O-N 3.49Å; W628-F842 HydrophobicContact CZ3-CE1 4.47Å; W628-I901 HydrophobicContact CH2-CG2 4.35Å
629A86.1Confident86.1Confident5 Ų542.7 Ų42.74%0.04121%0.21CC..Hα-helixtrans-62.8-43.8176.600000111.6F625 A626 N631 L632 I633 F842F625-A629 PolarHBondContact O-N 3.17Å; A626-A629 PolarHBondContact O-N 3.03Å; A629-N631 PolarHBondContact O-N 3.14Å; A629-L632 PolarHBondContact O-N 3.39Å; A629-L632 VanDerWaalsContact O-N 3.1Å; A629-I633 WeakPolarHBondContact O-CG1 3.21Å; A629-I633 PolarHBondContact O-N 3.21Å; A629-F842 HydrophobicContact CB-CD1 3.87Å; A629-F842 HydrophobicContact CB-CE1 3.83Å
630L85.8Confident85.9Confident64 Ų6449 Ų4934%0.33523%0.231SC..Hα-helixtrans-61.6-39.5177.3179.8134.6000112.5A626 L632 I633 Y634 F649A626-L630 WeakPolarHBondContact O-CB 3.5Å; A626-L630 PolarHBondContact O-N 3.06Å; L630-L632 PolarHBondContact O-N 2.78Å; L630-I633 PolarHBondContact O-N 3.22Å; L630-Y634 HydrophobicContact CD2-CD2 4.02Å; L630-Y634 HydrophobicContact CD2-CE2 3.29Å; L630-Y634 HydrophobicContact CG-CD2 4.4Å; L630-Y634 HydrophobicContact CG-CE1 4.32Å; L630-Y634 HydrophobicContact CG-CE2 3.77Å; L630-Y634 WeakPolarHBondContact O-CD2 3.38Å; L630-Y634 VanDerWaalsContact O-CG 3.3Å; L630-Y634 PolarHBondContact O-N 3.09Å; L630-F649 HydrophobicContact CD2-CE2 4.48Å
631N86Confident85.8Confident7 Ų751 Ų514%0.03724%0.244CC..Hα-helixtrans-57.9-42.1170.9168.943.1000112.2S605 L627 W628 A629 L635 Y642 F649S605-N631 PolarHBondContact OG-ND2 3.11Å; L627-N631 WeakPolarHBondContact O-CB 3.45Å; L627-N631 PolarHBondContact O-N 3.37Å; L627-N631 VanDerWaalsContact O-N 3.13Å; W628-N631 WeakPolarHBondContact O-CB 3.22Å; W628-N631 PolarHBondContact O-N 3.03Å; A629-N631 PolarHBondContact O-N 3.14Å; N631-L635 PolarHBondContact O-N 2.98Å; N631-Y642 WeakPolarHBondContact OD1-CE2 3.32Å; N631-Y642 PolarHBondContact OD1-OH 3.21Å; N631-Y642 VanDerWaalsContact OD1-OH 3.14Å; N631-F649 HydrophobicContact CB-CZ 4.09Å
632L85.9Confident85.8Confident23 Ų2352.4 Ų52.412%0.1225%0.249CC..Hα-helixtrans-75.7-35.4176.3-67.9-176.5000114.1W628 A629 L630 L635 K636 F842 I904W628-L632 HydrophobicContact CD2-CD1 4.33Å; W628-L632 HydrophobicContact CE3-CD1 4.4Å; W628-L632 HydrophobicContact CH2-CD1 3.61Å; W628-L632 HydrophobicContact CZ2-CD1 3.52Å; W628-L632 HydrophobicContact CZ3-CD1 4.07Å; W628-L632 PolarHBondContact O-N 3.49Å; A629-L632 PolarHBondContact O-N 3.39Å; A629-L632 VanDerWaalsContact O-N 3.1Å; L630-L632 PolarHBondContact O-N 2.78Å; L632-L635 HydrophobicContact CD2-CD2 4.45Å; L632-L635 WeakPolarHBondContact O-CB 3.46Å; L632-L635 PolarHBondContact O-N 2.91Å; L632-K636 PolarHBondContact O-N 3.05Å; L632-F842 HydrophobicContact CB-CZ 3.98Å; L632-F842 HydrophobicContact CD1-CZ 4.48Å; L632-I904 HydrophobicContact CD1-CG2 3.94Å
633I83.4Confident85.6Confident76 Ų7656 Ų5639%0.3926%0.261SS..Hα-helixtrans-63.3-43.1175.2-70.4169.2000110.2A629 L630 L635 K636 F637 F842A629-I633 WeakPolarHBondContact O-CG1 3.21Å; A629-I633 PolarHBondContact O-N 3.21Å; L630-I633 PolarHBondContact O-N 3.22Å; I633-L635 VanDerWaalsContact C-N 3.3Å; I633-L635 PolarHBondContact O-N 3.11Å; I633-K636 PolarHBondContact O-N 3.23Å; I633-F637 VanDerWaalsContact O-CB 3.3Å; I633-F637 WeakPolarHBondContact O-CB 3.48Å; I633-F637 PolarHBondContact O-N 3.32Å; I633-F842 HydrophobicContact CD1-CD2 3.85Å; I633-F842 HydrophobicContact CD1-CE2 4.07Å; I633-F842 HydrophobicContact CD1-CG 4.31Å; I633-F842 HydrophobicContact CG1-CD2 3.73Å; I633-F842 HydrophobicContact CG1-CE2 3.45Å; I633-F842 VanDerWaalsContact CG1-CE2 3.45Å; I633-F842 HydrophobicContact CG1-CZ 4.07Å
634Y84.9Confident85.3Confident81 Ų8155 Ų5532%0.31827%0.272SS..Hα-helixtrans-60.9-37.4174.4-67-22.3000112.8L630 S638 L641 L645L630-Y634 HydrophobicContact CD2-CD2 4.02Å; L630-Y634 HydrophobicContact CD2-CE2 3.29Å; L630-Y634 HydrophobicContact CG-CD2 4.4Å; L630-Y634 HydrophobicContact CG-CE1 4.32Å; L630-Y634 HydrophobicContact CG-CE2 3.77Å; L630-Y634 WeakPolarHBondContact O-CD2 3.38Å; L630-Y634 VanDerWaalsContact O-CG 3.3Å; L630-Y634 PolarHBondContact O-N 3.09Å; Y634-S638 CarbonylContact O-C 3.54Å; Y634-S638 PolarHBondContact O-N 3.42Å; Y634-L641 HydrophobicContact CD1-CD2 4.12Å; Y634-L641 HydrophobicContact CG-CD2 4.14Å; Y634-L645 HydrophobicContact CD2-CD1 4.39Å; Y634-L645 HydrophobicContact CE2-CD1 4.07Å
635L84.7Confident85.1Confident27 Ų2758.8 Ų58.814%0.14129%0.291CS..Hα-helixtrans-64.6-43.9173.6177.463.6000112.3N631 L632 I633 F639 Y642 I912N631-L635 PolarHBondContact O-N 2.98Å; L632-L635 HydrophobicContact CD2-CD2 4.45Å; L632-L635 WeakPolarHBondContact O-CB 3.46Å; L632-L635 PolarHBondContact O-N 2.91Å; I633-L635 VanDerWaalsContact C-N 3.3Å; I633-L635 PolarHBondContact O-N 3.11Å; L635-F639 HydrophobicContact CD1-CD2 3.78Å; L635-F639 HydrophobicContact CD1-CE2 4.41Å; L635-Y642 HydrophobicContact CD1-CD1 4.39Å; L635-I912 HydrophobicContact CD2-CD1 4.34Å
636K84.3Confident84.9Confident32 Ų3258.9 Ų58.914%0.13929%0.292CS..Hα-helixtrans-68.6-38.1179-98.4-71.5-172.1-173.30113.2L632 I633 L907 S911L632-K636 PolarHBondContact O-N 3.05Å; I633-K636 PolarHBondContact O-N 3.23Å; K636-L907 WeakPolarHBondContact CE-O 3.37Å; K636-L907 PolarHBondContact NZ-O 2.94Å; K636-S911 WeakPolarHBondContact CD-OG 3.38Å; K636-S911 WeakPolarHBondContact CE-OG 3.38Å; K636-S911 PolarHBondContact NZ-OG 3.29Å; K636-S911 VanDerWaalsContact NZ-OG 3.16Å
637F83.2Confident84.8Confident147 Ų14763.2 Ų63.265%0.64530%0.302SS*.Hα-helixtrans-76.4-51.4-178.3-173.4-97.8000112.2I633I633-F637 VanDerWaalsContact O-CB 3.3Å; I633-F637 WeakPolarHBondContact O-CB 3.48Å; I633-F637 PolarHBondContact O-N 3.32Å
638S82.6Confident84.7Confident38 Ų3863.6 Ų63.627%0.26631%0.312SS..  trans-163.4112.4177.3-176.80000113.8Y634 R640 L641 Y642Y634-S638 CarbonylContact O-C 3.54Å; Y634-S638 PolarHBondContact O-N 3.42Å; S638-R640 PolarHBondContact O-N 2.92Å; S638-R640 VanDerWaalsContact O-N 3.09Å; S638-L641 PolarHBondContact O-N 3.48Å; S638-Y642 PolarHBondContact O-N 3.28Å
639F81.1Confident84.6Confident80 Ų8064.8 Ų64.835%0.35132%0.318SS..Hα-helixtrans-56.1-27.6175.6-174.8-105.8000114.4L635 Y642 R643L635-F639 HydrophobicContact CD1-CD2 3.78Å; L635-F639 HydrophobicContact CD1-CE2 4.41Å; F639-Y642 HydrophobicContact CD2-CD1 4.32Å; F639-Y642 HydrophobicContact CE2-CD1 4.32Å; F639-R643 PolarHBondContact O-N 2.83Å
640R81.6Confident84.7Confident220 Ų22064.6 Ų64.683%0.8332%0.316SS*.Hα-helixtrans-67.7-41.6177.1-71.8-174.2-178.3172.52.3112S638S638-R640 PolarHBondContact O-N 2.92Å; S638-R640 VanDerWaalsContact O-N 3.09Å
641L83.1Confident84.6Confident76 Ų7665.9 Ų65.940%0.39832%0.322SS..Hα-helixtrans-69.8-42.4-179.9-174148.8000110.2Y634 S638 R643 G644 L645Y634-L641 HydrophobicContact CD1-CD2 4.12Å; Y634-L641 HydrophobicContact CG-CD2 4.14Å; S638-L641 PolarHBondContact O-N 3.48Å; L641-R643 PolarHBondContact O-N 3.37Å; L641-G644 PolarHBondContact O-N 2.8Å; L641-G644 VanDerWaalsContact O-N 3.15Å; L641-L645 HydrophobicContact CD2-CD1 3.63Å; L641-L645 HydrophobicContact CG-CD1 4.42Å; L641-L645 PolarHBondContact O-N 2.69Å
642Y85.6Confident84.6Confident30 Ų3070.2 Ų70.212%0.11835%0.349CS..Hα-helixtrans-51.5-50.6175.2179.4-120.1000113.5I601 N631 L635 S638 F639 G644 L645 A646 W729I601-Y642 WeakPolarHBondContact CD1-OH 3.14Å; N631-Y642 WeakPolarHBondContact OD1-CE2 3.32Å; N631-Y642 PolarHBondContact OD1-OH 3.21Å; N631-Y642 VanDerWaalsContact OD1-OH 3.14Å; L635-Y642 HydrophobicContact CD1-CD1 4.39Å; S638-Y642 PolarHBondContact O-N 3.28Å; F639-Y642 HydrophobicContact CD2-CD1 4.32Å; F639-Y642 HydrophobicContact CE2-CD1 4.32Å; Y642-G644 VanDerWaalsContact C-N 3.26Å; Y642-G644 PolarHBondContact O-N 2.79Å; Y642-L645 PolarHBondContact O-N 3.44Å; Y642-A646 PolarHBondContact O-N 2.93Å; Y642-W729 HydrophobicContact CE1-CH2 4.34Å; Y642-W729 HydrophobicContact CE1-CZ2 4.22Å
643R83.2Confident84.8Confident97 Ų9769.2 Ų69.237%0.36634%0.344SS..Hα-helixtrans-62.9-30.6-178.4-170-179.263.6130.73113.2F639 L641 W729 S734F639-R643 PolarHBondContact O-N 2.83Å; L641-R643 PolarHBondContact O-N 3.37Å; R643-W729 HydrophobicContact CG-CH2 4.39Å; R643-W729 HydrophobicContact CG-CZ3 4.45Å; R643-S734 VanDerWaalsContact NH1-CB 3.31Å
644G83.3Confident84.9Confident64 Ų6465.8 Ų65.866%0.6633%0.327SS*.Hα-helixtrans-73.9-36.9-179.900000113.7L641 Y642L641-G644 PolarHBondContact O-N 2.8Å; L641-G644 VanDerWaalsContact O-N 3.15Å; Y642-G644 VanDerWaalsContact C-N 3.26Å; Y642-G644 PolarHBondContact O-N 2.79Å
645L86.1Confident84.9Confident80 Ų8068.5 Ų68.542%0.41934%0.34SS..Hα-helixtrans-86.7-12.8-175.5-64.4177.6000114.1Y634 L641 Y642 Y647 A648 F649Y634-L645 HydrophobicContact CD2-CD1 4.39Å; Y634-L645 HydrophobicContact CE2-CD1 4.07Å; L641-L645 HydrophobicContact CD2-CD1 3.63Å; L641-L645 HydrophobicContact CG-CD1 4.42Å; L641-L645 PolarHBondContact O-N 2.69Å; Y642-L645 PolarHBondContact O-N 3.44Å; L645-Y647 PolarHBondContact O-N 3.37Å; L645-A648 PolarHBondContact O-N 3.48Å; L645-F649 PolarHBondContact O-N 3.03Å
646A84.7Confident85.1Confident3 Ų369.8 Ų69.83%0.02534%0.343CS..Hα-helixtrans-57.4-41.7-170.900000114.8Y642 F649 W650 W729Y642-A646 PolarHBondContact O-N 2.93Å; A646-F649 PolarHBondContact O-N 3.03Å; A646-W650 PolarHBondContact O-N 3.42Å; A646-W650 VanDerWaalsContact O-N 3.16Å; A646-W650 PolarHBondContact O-NE1 2.9Å; A646-W729 HydrophobicContact CB-CH2 4.21Å; A646-W729 HydrophobicContact CB-CZ3 4.02Å
647Y86.1Confident85.3Confident125 Ų12568.2 Ų68.249%0.4934%0.337SS..Hα-helixtrans-65.2-43.7179.6-176.3-98.6000112.1L645 W650 L651 L722 H726L645-Y647 PolarHBondContact O-N 3.37Å; Y647-W650 PolarHBondContact O-N 3.44Å; Y647-L651 PolarHBondContact O-N 3.36Å; Y647-L651 VanDerWaalsContact O-N 3.14Å; Y647-L722 HydrophobicContact CD2-CD2 4.12Å; Y647-L722 HydrophobicContact CE2-CD2 3.73Å; Y647-H726 AromaticContact CD2-CD2 3.73Å; Y647-H726 AromaticContact CD2-NE2 3.66Å
648A87.2Confident85.3Confident52 Ų5262.6 Ų62.643%0.4332%0.315SS..Hα-helixtrans-62.5-46.5176.300000110.9L645 W650 L651 T652L645-A648 PolarHBondContact O-N 3.48Å; A648-W650 PolarHBondContact O-N 3.01Å; A648-L651 PolarHBondContact O-N 3.21Å; A648-L651 VanDerWaalsContact O-N 3.15Å; A648-T652 PolarHBondContact O-N 3.11Å; A648-T652 PolarHBondContact O-OG1 3.23Å; A648-T652 VanDerWaalsContact O-OG1 3.06Å
649F88.2Confident85.5Confident34 Ų3464.9 Ų64.915%0.14932%0.324CS..Hα-helixtrans-54.2-47.8177.8-176.2-99.5000112.6L608 L627 L630 N631 L645 A646 L653L608-F649 HydrophobicContact CD2-CE1 4.5Å; L608-F649 HydrophobicContact CD2-CZ 4.23Å; L627-F649 HydrophobicContact CB-CE2 4.25Å; L627-F649 HydrophobicContact CB-CZ 4.29Å; L627-F649 HydrophobicContact CD2-CE2 4.1Å; L630-F649 HydrophobicContact CD2-CE2 4.48Å; N631-F649 HydrophobicContact CB-CZ 4.09Å; L645-F649 PolarHBondContact O-N 3.03Å; A646-F649 PolarHBondContact O-N 3.03Å; F649-L653 WeakPolarHBondContact O-CB 3.27Å; F649-L653 PolarHBondContact O-N 2.95Å
650W87.2Confident85.7Confident1 Ų161.9 Ų61.90%0.00431%0.312CS..Hα-helixtrans-67.4-37.2178.2-57.5126.3000113I601 V604 A646 Y647 A648 L653 T654 Q721 L722I601-W650 HydrophobicContact CD1-CZ2 4.18Å; I601-W650 HydrophobicContact CG1-CZ2 3.85Å; V604-W650 HydrophobicContact CB-CH2 4.12Å; V604-W650 HydrophobicContact CB-CZ3 4.07Å; V604-W650 HydrophobicContact CG1-CE3 3.76Å; V604-W650 HydrophobicContact CG1-CH2 3.85Å; V604-W650 HydrophobicContact CG1-CZ3 3.29Å; A646-W650 PolarHBondContact O-N 3.42Å; A646-W650 VanDerWaalsContact O-N 3.16Å; A646-W650 PolarHBondContact O-NE1 2.9Å; Y647-W650 PolarHBondContact O-N 3.44Å; A648-W650 PolarHBondContact O-N 3.01Å; W650-L653 HydrophobicContact CE3-CD2 4.01Å; W650-L653 HydrophobicContact CZ3-CD2 4.07Å; W650-T654 PolarHBondContact O-N 3.26Å; W650-T654 VanDerWaalsContact O-N 3.08Å; W650-T654 PolarHBondContact O-OG1 2.7Å; W650-Q721 HydrophobicContact CD2-CG 4.49Å; W650-Q721 HydrophobicContact CG-CG 4.37Å; W650-L722 HydrophobicContact CB-CD1 4.41Å; W650-L722 HydrophobicContact CB-CD2 4.3Å; W650-L722 HydrophobicContact CB-CG 4.2Å
651L85.4Confident85.8Confident91 Ų9151.8 Ų51.848%0.47628%0.275SS..Hα-helixtrans-66.8-46.3177.4-176.866.3000111.8Y647 A648 L653 T654 F655Y647-L651 PolarHBondContact O-N 3.36Å; Y647-L651 VanDerWaalsContact O-N 3.14Å; A648-L651 PolarHBondContact O-N 3.21Å; A648-L651 VanDerWaalsContact O-N 3.15Å; L651-L653 VanDerWaalsContact C-N 3.32Å; L651-L653 PolarHBondContact O-N 3.32Å; L651-T654 PolarHBondContact O-N 2.82Å; L651-F655 PolarHBondContact O-N 2.92Å
652T86Confident85.8Confident97 Ų9751.8 Ų51.860%0.59527%0.274SS*.Hα-helixtrans-60.4-42.5176.4-57.10000111.1A648 F655 Y656A648-T652 PolarHBondContact O-N 3.11Å; A648-T652 PolarHBondContact O-OG1 3.23Å; A648-T652 VanDerWaalsContact O-OG1 3.06Å; T652-F655 PolarHBondContact O-N 3.3Å; T652-Y656 WeakPolarHBondContact O-CB 3.37Å; T652-Y656 PolarHBondContact O-N 3.47Å
653L88.7Confident85.7Confident3 Ų352.3 Ų52.32%0.01629%0.285CS..Hα-helixtrans-60.5-46.5176-175.861.3000111.9L608 F624 L627 F649 W650 L651 F655 Y656 T657 L714 T718L608-L653 HydrophobicContact CD1-CD1 4.08Å; L608-L653 HydrophobicContact CD1-CD2 4.34Å; F624-L653 HydrophobicContact CD1-CD1 4.06Å; F624-L653 HydrophobicContact CE1-CD1 3.81Å; L627-L653 HydrophobicContact CD1-CD1 4.5Å; F649-L653 WeakPolarHBondContact O-CB 3.27Å; F649-L653 PolarHBondContact O-N 2.95Å; W650-L653 HydrophobicContact CE3-CD2 4.01Å; W650-L653 HydrophobicContact CZ3-CD2 4.07Å; L651-L653 VanDerWaalsContact C-N 3.32Å; L651-L653 PolarHBondContact O-N 3.32Å; L653-F655 PolarHBondContact O-N 2.75Å; L653-Y656 PolarHBondContact O-N 3.24Å; L653-T657 WeakPolarHBondContact O-CG2 3.5Å; L653-T657 PolarHBondContact O-N 3.37Å; L653-T657 PolarHBondContact O-OG1 3.26Å; L653-L714 HydrophobicContact CD1-CD2 4.4Å; L653-L714 HydrophobicContact CD2-CD1 4.44Å; L653-T718 HydrophobicContact CD2-CG2 3.73Å; L653-T718 HydrophobicContact CG-CG2 4.18Å
654T85.4Confident85.8Confident4 Ų448.1 Ų48.13%0.02527%0.269CS..Hα-helixtrans-66.3-39.8180-46.20000112.3W650 L651 T657 S658 F715 T718 M719 L722W650-T654 PolarHBondContact O-N 3.26Å; W650-T654 VanDerWaalsContact O-N 3.08Å; W650-T654 PolarHBondContact O-OG1 2.7Å; L651-T654 PolarHBondContact O-N 2.82Å; T654-T657 WeakPolarHBondContact CA-OG1 3.27Å; T654-T657 PolarHBondContact O-N 3.49Å; T654-T657 PolarHBondContact O-OG1 3.17Å; T654-S658 PolarHBondContact O-N 3.09Å; T654-S658 VanDerWaalsContact O-N 3.11Å; T654-F715 HydrophobicContact CG2-CD2 3.6Å; T654-F715 HydrophobicContact CG2-CE2 3.76Å; T654-T718 WeakPolarHBondContact OG1-CB 3.47Å; T654-T718 PolarHBondContact OG1-OG1 3.48Å; T654-M719 HydrophobicContact CG2-CE 3.56Å; T654-M719 HydrophobicContact CG2-CG 3.96Å; T654-M719 HydrophobicContact CG2-SD 4.46Å; T654-L722 WeakPolarHBondContact OG1-CD1 3.45Å
655F86.1Confident85.7Confident137 Ų13745.1 Ų45.160%0.60124%0.238SC*.Hα-helixtrans-61.5-46.4174.6-175.1-109.6000111.4L651 T652 L653 T657 S658 I659L651-F655 PolarHBondContact O-N 2.92Å; T652-F655 PolarHBondContact O-N 3.3Å; L653-F655 PolarHBondContact O-N 2.75Å; F655-T657 PolarHBondContact O-N 3.01Å; F655-S658 PolarHBondContact O-N 2.89Å; F655-S658 VanDerWaalsContact O-N 3.13Å; F655-S658 PolarHBondContact O-OG 3.03Å; F655-I659 HydrophobicContact CD1-CD1 3.95Å; F655-I659 HydrophobicContact CE1-CD1 3.51Å; F655-I659 HydrophobicContact CZ-CD1 3.88Å; F655-I659 PolarHBondContact O-N 2.93Å
656Y88.8Confident85.7Confident54 Ų5444.4 Ų44.421%0.21223%0.234CC..Hα-helixtrans-57-46.9175.1-178.7-116.4000112.3Y620 L623 F624 T652 L653 S658 I659 V660Y620-Y656 WeakPolarHBondContact CA-OH 3.44Å; Y620-Y656 WeakPolarHBondContact CB-OH 3.31Å; L623-Y656 HydrophobicContact CD2-CE2 4.18Å; F624-Y656 HydrophobicContact CD1-CD1 4.3Å; F624-Y656 HydrophobicContact CD1-CE1 4.02Å; F624-Y656 AromaticContact CE1-CD1 3.53Å; F624-Y656 HydrophobicContact CE1-CD1 3.53Å; F624-Y656 AromaticContact CE1-CE1 3.49Å; F624-Y656 HydrophobicContact CE1-CE1 3.49Å; F624-Y656 VanDerWaalsContact CE1-CE1 3.49Å; F624-Y656 HydrophobicContact CE2-CE1 4.07Å; F624-Y656 AromaticContact CZ-CD1 3.79Å; F624-Y656 HydrophobicContact CZ-CD1 3.79Å; F624-Y656 AromaticContact CZ-CE1 3.51Å; F624-Y656 HydrophobicContact CZ-CE1 3.51Å; T652-Y656 WeakPolarHBondContact O-CB 3.37Å; T652-Y656 PolarHBondContact O-N 3.47Å; L653-Y656 PolarHBondContact O-N 3.24Å; Y656-S658 VanDerWaalsContact C-N 3.29Å; Y656-S658 PolarHBondContact O-N 3.02Å; Y656-I659 PolarHBondContact O-N 3.26Å; Y656-V660 HydrophobicContact CE1-CG2 4.41Å; Y656-V660 HydrophobicContact CE2-CG2 4.32Å; Y656-V660 WeakPolarHBondContact O-CG2 3.37Å; Y656-V660 PolarHBondContact O-N 2.88Å; Y656-V660 VanDerWaalsContact O-N 3.14Å
657T87.7Confident85.7Confident0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-60.3-35.6176.157.20000113.5F624 L653 T654 F655 V660 I661 L714F624-T657 HydrophobicContact CE1-CG2 4.33Å; F624-T657 HydrophobicContact CZ-CG2 4.27Å; L653-T657 WeakPolarHBondContact O-CG2 3.5Å; L653-T657 PolarHBondContact O-N 3.37Å; L653-T657 PolarHBondContact O-OG1 3.26Å; T654-T657 WeakPolarHBondContact CA-OG1 3.27Å; T654-T657 PolarHBondContact O-N 3.49Å; T654-T657 PolarHBondContact O-OG1 3.17Å; F655-T657 PolarHBondContact O-N 3.01Å; T657-V660 PolarHBondContact O-N 3.07Å; T657-I661 WeakPolarHBondContact O-CD1 3.44Å; T657-I661 VanDerWaalsContact O-CG1 3.31Å; T657-I661 WeakPolarHBondContact O-CG1 3.26Å; T657-I661 PolarHBondContact O-N 3.44Å; T657-L714 HydrophobicContact CG2-CB 4.3Å; T657-L714 HydrophobicContact CG2-CD2 3.61Å; T657-L714 HydrophobicContact CG2-CG 3.85Å
658S83.8Confident85.4Confident28 Ų2839.4 Ų39.420%0.19621%0.214CC..Hα-helixtrans-68.5-34.617971.70000113.1T654 F655 Y656 I662T654-S658 PolarHBondContact O-N 3.09Å; T654-S658 VanDerWaalsContact O-N 3.11Å; F655-S658 PolarHBondContact O-N 2.89Å; F655-S658 VanDerWaalsContact O-N 3.13Å; F655-S658 PolarHBondContact O-OG 3.03Å; Y656-S658 VanDerWaalsContact C-N 3.29Å; Y656-S658 PolarHBondContact O-N 3.02Å; S658-I662 WeakPolarHBondContact O-CD1 3.3Å; S658-I662 VanDerWaalsContact O-CG1 3.31Å; S658-I662 WeakPolarHBondContact O-CG1 3.33Å; S658-I662 PolarHBondContact O-N 3.18Å
659I85.8Confident85Confident87 Ų8738 Ų3845%0.44620%0.199SC..Hα-helixtrans-67.2-45.6174.1-67.5171.2000110.3F655 Y656 I661 I662 A663F655-I659 HydrophobicContact CD1-CD1 3.95Å; F655-I659 HydrophobicContact CE1-CD1 3.51Å; F655-I659 HydrophobicContact CZ-CD1 3.88Å; F655-I659 PolarHBondContact O-N 2.93Å; Y656-I659 PolarHBondContact O-N 3.26Å; I659-I661 PolarHBondContact O-N 3.01Å; I659-I662 PolarHBondContact O-N 3.04Å; I659-A663 WeakPolarHBondContact O-CB 3.24Å; I659-A663 PolarHBondContact O-N 3.43Å
660V85.5Confident84.3Confident16 Ų1639.3 Ų39.310%0.09721%0.21CC..Hα-helixtrans-59.2-46.1178.7173.70000111.3Y656 T657 I662 A663 L664 P711Y656-V660 HydrophobicContact CE1-CG2 4.41Å; Y656-V660 HydrophobicContact CE2-CG2 4.32Å; Y656-V660 WeakPolarHBondContact O-CG2 3.37Å; Y656-V660 PolarHBondContact O-N 2.88Å; Y656-V660 VanDerWaalsContact O-N 3.14Å; T657-V660 PolarHBondContact O-N 3.07Å; V660-I662 PolarHBondContact O-N 2.84Å; V660-A663 PolarHBondContact O-N 2.63Å; V660-L664 HydrophobicContact CG1-CD1 3.78Å; V660-L664 HydrophobicContact CG1-CG 4.38Å; V660-L664 WeakPolarHBondContact O-CB 3.32Å; V660-L664 VanDerWaalsContact O-CG 3.3Å; V660-L664 WeakPolarHBondContact O-CG 3.38Å; V660-L664 PolarHBondContact O-N 3.14Å; V660-P711 HydrophobicContact CG1-CG 4.4Å
661I84.8Confident83.8Confident9 Ų941.4 Ų41.45%0.04623%0.232CC..Hα-helixtrans-59-46177.5-69.6163.3000111.6T657 I659 Y665 L708 P711 I712 F715T657-I661 WeakPolarHBondContact O-CD1 3.44Å; T657-I661 VanDerWaalsContact O-CG1 3.31Å; T657-I661 WeakPolarHBondContact O-CG1 3.26Å; T657-I661 PolarHBondContact O-N 3.44Å; I659-I661 PolarHBondContact O-N 3.01Å; I661-Y665 PolarHBondContact O-N 3.17Å; I661-L708 HydrophobicContact CB-CD2 4.48Å; I661-L708 HydrophobicContact CG2-CD2 3.96Å; I661-P711 HydrophobicContact CD1-CB 4.24Å; I661-P711 HydrophobicContact CG1-CB 3.73Å; I661-I712 HydrophobicContact CD1-CG1 3.88Å; I661-I712 HydrophobicContact CG1-CG1 4.23Å; I661-F715 HydrophobicContact CD1-CB 4.21Å
662I83Confident83.4Confident75 Ų7539 Ų3939%0.38522%0.222SC..Hα-helixtrans-69.7-43.1-177.6-68.5168.6000111S658 I659 V660 Y665 I666S658-I662 WeakPolarHBondContact O-CD1 3.3Å; S658-I662 VanDerWaalsContact O-CG1 3.31Å; S658-I662 WeakPolarHBondContact O-CG1 3.33Å; S658-I662 PolarHBondContact O-N 3.18Å; I659-I662 PolarHBondContact O-N 3.04Å; V660-I662 PolarHBondContact O-N 2.84Å; I662-Y665 PolarHBondContact O-N 3.08Å; I662-I666 HydrophobicContact CG2-CD1 3.59Å; I662-I666 HydrophobicContact CG2-CG1 4.36Å; I662-I666 WeakPolarHBondContact O-CB 3.5Å; I662-I666 WeakPolarHBondContact O-CG1 3.32Å; I662-I666 PolarHBondContact O-N 3.06Å
663A83.4Confident83Confident42 Ų4234.9 Ų34.935%0.34720%0.196SC..Hα-helixtrans-61.4-46.8178.400000111.8I659 V660 Y665 I666 Y667I659-A663 WeakPolarHBondContact O-CB 3.24Å; I659-A663 PolarHBondContact O-N 3.43Å; V660-A663 PolarHBondContact O-N 2.63Å; A663-Y665 PolarHBondContact O-N 3.25Å; A663-I666 PolarHBondContact O-N 3.38Å; A663-Y667 PolarHBondContact O-N 2.86Å; A663-Y667 VanDerWaalsContact O-N 3.11Å
664L83.9Confident82.4Confident8 Ų840.3 Ų40.34%0.04222%0.222CC..Hα-helixtrans-63.1-39.1178.8-71.7172.8000112.7V660 Q668V660-L664 HydrophobicContact CG1-CD1 3.78Å; V660-L664 HydrophobicContact CG1-CG 4.38Å; V660-L664 WeakPolarHBondContact O-CB 3.32Å; V660-L664 VanDerWaalsContact O-CG 3.3Å; V660-L664 WeakPolarHBondContact O-CG 3.38Å; V660-L664 PolarHBondContact O-N 3.14Å; L664-Q668 WeakPolarHBondContact O-CG 3.42Å; L664-Q668 PolarHBondContact O-NE2 3.45Å
665Y83.2Confident82.2Confident2 Ų247.4 Ų47.41%0.00825%0.248CC..Hα-helixtrans-72-38.2178.2-171.6-80.2000112.6A440 H444 L449 L452 I661 I662 A663 F669A440-Y665 PolarHBondContact O-OH 3.44Å; H444-Y665 AromaticContact CE1-CE1 3.93Å; H444-Y665 AromaticContact ND1-CE1 3.77Å; H444-Y665 AromaticContact ND1-CE2 3.93Å; H444-Y665 AromaticContact ND1-CZ 3.47Å; H444-Y665 PolarHBondContact ND1-OH 3.45Å; L449-Y665 HydrophobicContact CB-CE1 3.95Å; L449-Y665 HydrophobicContact CD1-CD1 3.84Å; L449-Y665 HydrophobicContact CD1-CE1 3.84Å; L449-Y665 HydrophobicContact CG-CE1 4.43Å; L452-Y665 HydrophobicContact CD2-CD1 3.97Å; L452-Y665 HydrophobicContact CD2-CD2 3.59Å; L452-Y665 HydrophobicContact CD2-CE1 4.26Å; L452-Y665 HydrophobicContact CD2-CE2 3.89Å; L452-Y665 HydrophobicContact CD2-CG 3.63Å; I661-Y665 PolarHBondContact O-N 3.17Å; I662-Y665 PolarHBondContact O-N 3.08Å; A663-Y665 PolarHBondContact O-N 3.25Å; Y665-F669 HydrophobicContact CD1-CE2 4.44Å; Y665-F669 HydrophobicContact CE1-CE2 4.13Å; Y665-F669 HydrophobicContact CE1-CZ 4.37Å
666I84.8Confident82Confident64 Ų6442.5 Ų42.533%0.32823%0.228SC..Hα-helixtrans-69.7-33.9-180-74.5175.7000111.9I662 A663 Q668 F669 V672I662-I666 HydrophobicContact CG2-CD1 3.59Å; I662-I666 HydrophobicContact CG2-CG1 4.36Å; I662-I666 WeakPolarHBondContact O-CB 3.5Å; I662-I666 WeakPolarHBondContact O-CG1 3.32Å; I662-I666 PolarHBondContact O-N 3.06Å; A663-I666 PolarHBondContact O-N 3.38Å; I666-Q668 PolarHBondContact O-N 3.45Å; I666-F669 PolarHBondContact O-N 3.24Å; I666-V672 HydrophobicContact CG2-CG1 3.77Å
667Y84Confident81.6Confident11 Ų1143.6 Ų43.64%0.04324%0.236CC..THydrogen-bonded Turntrans-63.1-21.5-178.2-165.2-105.1000114.1A663 F669 I676 L692 D694A663-Y667 PolarHBondContact O-N 2.86Å; A663-Y667 VanDerWaalsContact O-N 3.11Å; Y667-F669 VanDerWaalsContact C-N 3.34Å; Y667-F669 PolarHBondContact O-N 2.93Å; Y667-I676 HydrophobicContact CD2-CD1 3.71Å; Y667-I676 HydrophobicContact CE2-CD1 4Å; Y667-L692 HydrophobicContact CD1-CB 4.48Å; Y667-L692 HydrophobicContact CD2-CB 4.28Å; Y667-L692 HydrophobicContact CD2-CD2 4.32Å; Y667-L692 VanDerWaalsContact CE1-C 3.45Å; Y667-L692 HydrophobicContact CE1-CB 4.29Å; Y667-L692 WeakPolarHBondContact CE1-O 3.24Å; Y667-L692 HydrophobicContact CE2-CB 4.1Å; Y667-L692 HydrophobicContact CG-CB 4.47Å; Y667-L692 HydrophobicContact CG-CD2 4.35Å; Y667-L692 PolarHBondContact OH-O 3.23Å; Y667-D694 HydrophobicContact CE1-CB 4.46Å
668Q80.9Confident81.4Confident12 Ų1253 Ų536%0.05627%0.272CS..THydrogen-bonded Turntrans-79.6-13.6-174.5-49.8-60.1-48.800113.9L664 I666 P670 V693 F695 L704L664-Q668 WeakPolarHBondContact O-CG 3.42Å; L664-Q668 PolarHBondContact O-NE2 3.45Å; I666-Q668 PolarHBondContact O-N 3.45Å; Q668-P670 WeakPolarHBondContact O-CD 3.41Å; Q668-V693 PolarHBondContact NE2-O 2.98Å; Q668-F695 VanDerWaalsContact NE2-CD2 3.32Å; Q668-L704 HydrophobicContact CB-CD1 4.32Å; Q668-L704 HydrophobicContact CG-CD1 3.62Å
669F79.2Confident81.4Confident24 Ų2456.5 Ų56.511%0.10529%0.289CS..SBendtrans-72.1120.4170.8-70.8-75.4000108.6H444 I446 L449 Y665 I666 Y667 G671 V672 S673H444-F669 AromaticContact CE1-CD2 3.98Å; H444-F669 AromaticContact CE1-CE1 3.86Å; H444-F669 AromaticContact CE1-CE2 3.64Å; H444-F669 AromaticContact CE1-CZ 3.58Å; H444-F669 AromaticContact NE2-CD1 3.74Å; H444-F669 AromaticContact NE2-CE1 3.71Å; H444-F669 AromaticContact NE2-CG 3.97Å; H444-F669 AromaticContact NE2-CZ 3.92Å; I446-F669 HydrophobicContact CG1-CE1 3.86Å; I446-F669 HydrophobicContact CG1-CZ 4.07Å; L449-F669 HydrophobicContact CD2-CE2 4.44Å; Y665-F669 HydrophobicContact CD1-CE2 4.44Å; Y665-F669 HydrophobicContact CE1-CE2 4.13Å; Y665-F669 HydrophobicContact CE1-CZ 4.37Å; I666-F669 PolarHBondContact O-N 3.24Å; Y667-F669 VanDerWaalsContact C-N 3.34Å; Y667-F669 PolarHBondContact O-N 2.93Å; F669-G671 PolarHBondContact O-N 2.89Å; F669-G671 VanDerWaalsContact O-N 3.09Å; F669-V672 HydrophobicContact CB-CB 4.2Å; F669-V672 HydrophobicContact CB-CG2 3.81Å; F669-V672 WeakPolarHBondContact O-CA 3.25Å; F669-V672 PolarHBondContact O-N 3.19Å; F669-S673 PolarHBondContact O-N 3.45Å
670P73.9Confident81Confident60 Ų6055.2 Ų55.239%0.3929%0.285SS..Hα-helixtrans-63.7-23.2-173.623-33.5000113.4Q668 V672 S673 Q674Q668-P670 WeakPolarHBondContact O-CD 3.41Å; P670-V672 VanDerWaalsContact C-N 3.35Å; P670-S673 PolarHBondContact O-OG 2.92Å; P670-Q674 WeakPolarHBondContact O-CB 3.39Å; P670-Q674 VanDerWaalsContact O-CG 3.26Å; P670-Q674 WeakPolarHBondContact O-CG 3.44Å; P670-Q674 PolarHBondContact O-N 3.37Å
671G75.6Confident80.5Confident45 Ų4560 Ų6046%0.46432%0.319SS..Hα-helixtrans-71.7-25.2170.600000114.1F669 W675F669-G671 PolarHBondContact O-N 2.89Å; F669-G671 VanDerWaalsContact O-N 3.09Å; G671-W675 VanDerWaalsContact O-CB 3.29Å; G671-W675 WeakPolarHBondContact O-CB 3.38Å; G671-W675 PolarHBondContact O-N 3.43Å
672V78.2Confident80Confident42 Ų4263 Ų6326%0.25534%0.335SS..Hα-helixtrans-89.6-40.3-178-176.90000111.8I666 F669 P670 Q674 W675 I676I666-V672 HydrophobicContact CG2-CG1 3.77Å; F669-V672 HydrophobicContact CB-CB 4.2Å; F669-V672 HydrophobicContact CB-CG2 3.81Å; F669-V672 WeakPolarHBondContact O-CA 3.25Å; F669-V672 PolarHBondContact O-N 3.19Å; P670-V672 VanDerWaalsContact C-N 3.35Å; V672-Q674 VanDerWaalsContact C-N 3.34Å; V672-Q674 PolarHBondContact O-N 2.92Å; V672-W675 WeakPolarHBondContact O-CB 3.45Å; V672-W675 PolarHBondContact O-N 2.86Å; V672-W675 VanDerWaalsContact O-N 3.12Å; V672-I676 HydrophobicContact CG1-CD1 4.12Å; V672-I676 HydrophobicContact CG1-CG1 4.47Å; V672-I676 WeakPolarHBondContact O-CG1 3.32Å; V672-I676 PolarHBondContact O-N 3.32Å
673S76.3Confident79.8Confident9 Ų962 Ų626%0.06334%0.335CS..Hα-helixtrans-58.4-47.8172.958.20000110.9F669 P670 W675 I676 I677F669-S673 PolarHBondContact O-N 3.45Å; P670-S673 PolarHBondContact O-OG 2.92Å; S673-W675 VanDerWaalsContact C-N 3.3Å; S673-W675 PolarHBondContact O-N 3.19Å; S673-I676 PolarHBondContact O-N 2.89Å; S673-I677 WeakPolarHBondContact O-CG1 3.39Å; S673-I677 PolarHBondContact O-N 2.96Å; S673-I677 VanDerWaalsContact O-N 3.08Å
674Q76.1Confident79.5Confident117 Ų11766.4 Ų66.455%0.54735%0.348SS..Hα-helixtrans-61.4-34.5173.4-69.2-177.111.400113.4P670 V672 R678P670-Q674 WeakPolarHBondContact O-CB 3.39Å; P670-Q674 VanDerWaalsContact O-CG 3.26Å; P670-Q674 WeakPolarHBondContact O-CG 3.44Å; P670-Q674 PolarHBondContact O-N 3.37Å; V672-Q674 VanDerWaalsContact C-N 3.34Å; V672-Q674 PolarHBondContact O-N 2.92Å; Q674-R678 WeakPolarHBondContact O-CB 3.45Å; Q674-R678 PolarHBondContact O-N 3.43Å
675W81.8Confident79.2Confident154 Ų15473.5 Ų73.558%0.58338%0.381SS*.Hα-helixtrans-69.1-42.7176.8-179.587.7000112.1G671 V672 S673 R678 N679G671-W675 VanDerWaalsContact O-CB 3.29Å; G671-W675 WeakPolarHBondContact O-CB 3.38Å; G671-W675 PolarHBondContact O-N 3.43Å; V672-W675 WeakPolarHBondContact O-CB 3.45Å; V672-W675 PolarHBondContact O-N 2.86Å; V672-W675 VanDerWaalsContact O-N 3.12Å; S673-W675 VanDerWaalsContact C-N 3.3Å; S673-W675 PolarHBondContact O-N 3.19Å; W675-R678 PolarHBondContact O-N 2.92Å; W675-N679 VanDerWaalsContact CE2-ND2 3.31Å; W675-N679 WeakPolarHBondContact CZ2-ND2 3.42Å; W675-N679 PolarHBondContact NE1-ND2 2.94Å; W675-N679 WeakPolarHBondContact O-CB 3.4Å; W675-N679 PolarHBondContact O-N 2.7Å
676I80.5Confident79.2Confident33 Ų3379.1 Ų79.117%0.16940%0.402CS..Hα-helixtrans-63-49.9177-69.7168.9000110.4Y667 V672 S673 R678 N679 T680 L687Y667-I676 HydrophobicContact CD2-CD1 3.71Å; Y667-I676 HydrophobicContact CE2-CD1 4Å; V672-I676 HydrophobicContact CG1-CD1 4.12Å; V672-I676 HydrophobicContact CG1-CG1 4.47Å; V672-I676 WeakPolarHBondContact O-CG1 3.32Å; V672-I676 PolarHBondContact O-N 3.32Å; S673-I676 PolarHBondContact O-N 2.89Å; I676-R678 VanDerWaalsContact C-N 3.31Å; I676-R678 PolarHBondContact O-N 2.99Å; I676-N679 PolarHBondContact O-N 3.46Å; I676-T680 HydrophobicContact CG2-CG2 4.35Å; I676-T680 WeakPolarHBondContact O-CB 3.36Å; I676-T680 PolarHBondContact O-N 3.45Å; I676-T680 PolarHBondContact O-OG1 3.23Å; I676-L687 HydrophobicContact CG2-CD2 4.27Å
677I80.7Confident79.1Confident77 Ų7776.1 Ų76.140%0.39539%0.387SS..Hα-helixtrans-59.3-43.8179.4-65.6165.3000110.4S673 L687S673-I677 WeakPolarHBondContact O-CG1 3.39Å; S673-I677 PolarHBondContact O-N 2.96Å; S673-I677 VanDerWaalsContact O-N 3.08Å; I677-L687 HydrophobicContact CG1-CD1 3.92Å
678R83.8Confident78.8Confident197 Ų19778.6 Ų78.674%0.74340%0.401SS*.Hα-helixtrans-70-36.3-179-168.4178.6-59.2-175.43.9114Q674 W675 I676Q674-R678 WeakPolarHBondContact O-CB 3.45Å; Q674-R678 PolarHBondContact O-N 3.43Å; W675-R678 PolarHBondContact O-N 2.92Å; I676-R678 VanDerWaalsContact C-N 3.31Å; I676-R678 PolarHBondContact O-N 2.99Å
679N84.5Confident78.7Confident103 Ų10378.5 Ų78.555%0.55140%0.402SS*.Hα-helixtrans-93.1-26.4-175.7-84.97.8000114.8W675 I676W675-N679 VanDerWaalsContact CE2-ND2 3.31Å; W675-N679 WeakPolarHBondContact CZ2-ND2 3.42Å; W675-N679 PolarHBondContact NE1-ND2 2.94Å; W675-N679 WeakPolarHBondContact O-CB 3.4Å; W675-N679 PolarHBondContact O-N 2.7Å; I676-N679 PolarHBondContact O-N 3.46Å
680T76Confident78.8Confident60 Ų6080.2 Ų80.237%0.36841%0.412SS..Hα-helixtrans-101.9-11.6-17264.90000114.7I676 L682I676-T680 HydrophobicContact CG2-CG2 4.35Å; I676-T680 WeakPolarHBondContact O-CB 3.36Å; I676-T680 PolarHBondContact O-N 3.45Å; I676-T680 PolarHBondContact O-OG1 3.23Å; T680-L682 PolarHBondContact O-N 3.49Å
681S75.5Confident79Confident117 Ų11777.5 Ų77.582%0.81840%0.395SS*.  trans57.310.4-177.3670000116.2S683S681-S683 PolarHBondContact O-N 3.31Å
682L74.6Confident79.2Confident71 Ų7177.1 Ų77.137%0.37238%0.382SS..  trans-69.8123.9173.2-70.8167.1000109.8T680 W686 L687T680-L682 PolarHBondContact O-N 3.49Å; L682-W686 HydrophobicContact CD2-CB 4.4Å; L682-L687 HydrophobicContact CB-CD1 4.37Å; L682-L687 HydrophobicContact CB-CG 4.16Å
683S79Confident79.1Confident54 Ų5477 Ų7738%0.37838%0.381SS..  trans-60.6153.2171.560.20000111.3S681 E685 W686 L687S681-S683 PolarHBondContact O-N 3.31Å; S683-E685 PolarHBondContact O-N 2.92Å; S683-W686 PolarHBondContact O-N 3.48Å; S683-W686 VanDerWaalsContact O-N 3.12Å; S683-W686 PolarHBondContact OG-N 2.99Å; S683-L687 PolarHBondContact O-N 2.98Å; S683-L687 VanDerWaalsContact O-N 3.11Å
684Q77.4Confident79Confident135 Ų13578.6 Ų78.663%0.63139%0.389SS*.Hα-helixtrans-60-30.6179.1-165.4161-18.600113.2L687 N688Q684-L687 PolarHBondContact O-N 3.44Å; Q684-N688 WeakPolarHBondContact O-CB 3.39Å; Q684-N688 PolarHBondContact O-N 3.06Å; Q684-N688 PolarHBondContact O-OD1 3.28Å
685E78.1Confident78.9Confident156 Ų15673.4 Ų73.473%0.72937%0.365SS*.Hα-helixtrans-60.9-48.6173-66.7169.2-163.800112.7S683 L687 N688 A689S683-E685 PolarHBondContact O-N 2.92Å; E685-L687 PolarHBondContact O-N 3.26Å; E685-N688 WeakPolarHBondContact O-CB 3.48Å; E685-N688 PolarHBondContact O-N 3.27Å; E685-A689 PolarHBondContact O-N 3.08Å
686W83.2Confident78.2Confident120 Ų12074.2 Ų74.246%0.45537%0.367SS..Hα-helixtrans-63.6-37.8174.4-86.999.8000112.7F619 L682 S683 A689 I690 I855F619-W686 HydrophobicContact CE2-CE3 4.36Å; F619-W686 AromaticContact CE2-CZ3 3.91Å; F619-W686 HydrophobicContact CE2-CZ3 3.91Å; F619-W686 HydrophobicContact CZ-CZ3 4.12Å; L682-W686 HydrophobicContact CD2-CB 4.4Å; S683-W686 PolarHBondContact O-N 3.48Å; S683-W686 VanDerWaalsContact O-N 3.12Å; S683-W686 PolarHBondContact OG-N 2.99Å; W686-A689 PolarHBondContact O-N 2.86Å; W686-I690 WeakPolarHBondContact O-CD1 3.42Å; W686-I690 VanDerWaalsContact O-CG1 3.24Å; W686-I690 WeakPolarHBondContact O-CG1 3.02Å; W686-I690 PolarHBondContact O-N 2.94Å; W686-I855 HydrophobicContact CD2-CD1 4.24Å; W686-I855 HydrophobicContact CH2-CD1 3.85Å; W686-I855 HydrophobicContact CZ2-CD1 3.43Å; W686-I855 VanDerWaalsContact CZ2-CD1 3.43Å; W686-I855 HydrophobicContact CZ3-CD1 4.4Å
687L81.7Confident77.5Confident1 Ų176.6 Ų76.61%0.00539%0.392CS..Hα-helixtrans-64.4-40.7174-76159.5000111.5I676 I677 L682 S683 Q684 E685 I690 G691 L692I676-L687 HydrophobicContact CG2-CD2 4.27Å; I677-L687 HydrophobicContact CG1-CD1 3.92Å; L682-L687 HydrophobicContact CB-CD1 4.37Å; L682-L687 HydrophobicContact CB-CG 4.16Å; S683-L687 PolarHBondContact O-N 2.98Å; S683-L687 VanDerWaalsContact O-N 3.11Å; Q684-L687 PolarHBondContact O-N 3.44Å; E685-L687 PolarHBondContact O-N 3.26Å; L687-I690 PolarHBondContact O-N 3.09Å; L687-G691 PolarHBondContact O-N 2.99Å; L687-L692 HydrophobicContact CD2-CB 4.17Å; L687-L692 HydrophobicContact CD2-CD1 3.97Å; L687-L692 PolarHBondContact O-N 3.26Å
688N77.4Confident76.6Confident64 Ų6477.3 Ų77.334%0.34240%0.396SS..Hα-helixtrans-64.6-44.5174.3-69.9-6.8000111.8Q684 E685 I690 G691Q684-N688 WeakPolarHBondContact O-CB 3.39Å; Q684-N688 PolarHBondContact O-N 3.06Å; Q684-N688 PolarHBondContact O-OD1 3.28Å; E685-N688 WeakPolarHBondContact O-CB 3.48Å; E685-N688 PolarHBondContact O-N 3.27Å; N688-I690 VanDerWaalsContact C-N 3.31Å; N688-I690 PolarHBondContact O-N 3.29Å; N688-G691 VanDerWaalsContact O-CA 3.25Å; N688-G691 WeakPolarHBondContact O-CA 3.36Å; N688-G691 PolarHBondContact O-N 3.49Å
689A78.9Confident75.3Confident10 Ų1071.2 Ų71.28%0.08340%0.395CS..Hα-helixtrans-64.6-33.317700000113F619 E685 W686 G691F619-A689 HydrophobicContact CD2-CB 4.29Å; F619-A689 VanDerWaalsContact CD2-O 3.3Å; F619-A689 WeakPolarHBondContact CD2-O 3.34Å; F619-A689 HydrophobicContact CE2-CB 4.08Å; F619-A689 PolarHBondContact N-O 2.97Å; E685-A689 PolarHBondContact O-N 3.08Å; W686-A689 PolarHBondContact O-N 2.86Å; A689-G691 VanDerWaalsContact C-N 3.29Å
690I82.3Confident74Confident60 Ų6072.4 Ų72.431%0.30840%0.397SS..Hα-helixtrans-67.9-33.4168.3-68.1164.5000110.6F619 Y620 W686 L687 N688 L692F619-I690 HydrophobicContact CD2-CG1 4.28Å; Y620-I690 WeakPolarHBondContact CD1-O 3.48Å; W686-I690 WeakPolarHBondContact O-CD1 3.42Å; W686-I690 VanDerWaalsContact O-CG1 3.24Å; W686-I690 WeakPolarHBondContact O-CG1 3.02Å; W686-I690 PolarHBondContact O-N 2.94Å; L687-I690 PolarHBondContact O-N 3.09Å; N688-I690 VanDerWaalsContact C-N 3.31Å; N688-I690 PolarHBondContact O-N 3.29Å; I690-L692 HydrophobicContact CG2-CD1 4.07Å; I690-L692 HydrophobicContact CG2-CG 4.13Å
691G77.1Confident72.9Confident3 Ų375.6 Ų75.63%0.03142%0.421CS..THydrogen-bonded Turntrans97.625.2-179.400000114.4L687 N688 A689L687-G691 PolarHBondContact O-N 2.99Å; N688-G691 VanDerWaalsContact O-CA 3.25Å; N688-G691 WeakPolarHBondContact O-CA 3.36Å; N688-G691 PolarHBondContact O-N 3.49Å; A689-G691 VanDerWaalsContact C-N 3.29Å
692L80.7Confident72.3Confident37 Ų3772 Ų7219%0.19440%0.404CS..  trans-9488.3173.9-72.3169.9000109.9Y667 L687 I690Y667-L692 HydrophobicContact CD1-CB 4.48Å; Y667-L692 HydrophobicContact CD2-CB 4.28Å; Y667-L692 HydrophobicContact CD2-CD2 4.32Å; Y667-L692 VanDerWaalsContact CE1-C 3.45Å; Y667-L692 HydrophobicContact CE1-CB 4.29Å; Y667-L692 WeakPolarHBondContact CE1-O 3.24Å; Y667-L692 HydrophobicContact CE2-CB 4.1Å; Y667-L692 HydrophobicContact CG-CB 4.47Å; Y667-L692 HydrophobicContact CG-CD2 4.35Å; Y667-L692 PolarHBondContact OH-O 3.23Å; L687-L692 HydrophobicContact CD2-CB 4.17Å; L687-L692 HydrophobicContact CD2-CD1 3.97Å; L687-L692 PolarHBondContact O-N 3.26Å; I690-L692 HydrophobicContact CG2-CD1 4.07Å; I690-L692 HydrophobicContact CG2-CG 4.13Å
693V76.2Confident71.9Confident38 Ų3869.4 Ų69.423%0.2339%0.392CS..  trans-116.2142.5-173.8-170.60000111.2Q668 F695 I698Q668-V693 PolarHBondContact NE2-O 2.98Å; V693-F695 HydrophobicContact CB-CE1 4.22Å; V693-F695 HydrophobicContact CB-CZ 4.4Å; V693-F695 PolarHBondContact O-N 3.38Å; V693-I698 HydrophobicContact CG1-CD1 3.66Å
694D74.2Confident71.5Confident44 Ų4468.2 Ų68.224%0.23538%0.381CS..  trans-85.1106.3175-173-25.2000109.3Y667 R696 A697Y667-D694 HydrophobicContact CE1-CB 4.46Å; D694-R696 VanDerWaalsContact C-N 3.26Å; D694-R696 PolarHBondContact O-N 2.83Å; D694-R696 VanDerWaalsContact OD1-CB 3.3Å; D694-R696 WeakPolarHBondContact OD1-CB 3.35Å; D694-R696 PolarHBondContact OD1-N 3.4Å; D694-A697 HydrophobicContact CB-CB 4.46Å; D694-A697 PolarHBondContact O-N 3.3Å
695F74.4Confident71.1Confident8 Ų866.5 Ų66.54%0.03537%0.372CS..THydrogen-bonded Turntrans-75.2-16-176.7-58.7-63.3000112.7Q668 V693 A697 I698 A703 L704 Q707Q668-F695 VanDerWaalsContact NE2-CD2 3.32Å; V693-F695 HydrophobicContact CB-CE1 4.22Å; V693-F695 HydrophobicContact CB-CZ 4.4Å; V693-F695 PolarHBondContact O-N 3.38Å; F695-A697 VanDerWaalsContact C-N 3.28Å; F695-A697 PolarHBondContact O-N 2.91Å; F695-I698 HydrophobicContact CD1-CD1 3.97Å; F695-I698 HydrophobicContact CE1-CD1 4.47Å; F695-I698 PolarHBondContact O-N 3.22Å; F695-A703 HydrophobicContact CD1-CB 4.5Å; F695-L704 HydrophobicContact CB-CB 4.13Å; F695-L704 HydrophobicContact CD2-CB 4.04Å; F695-L704 HydrophobicContact CD2-CD1 4.46Å; F695-L704 HydrophobicContact CD2-CG 4.35Å; F695-L704 HydrophobicContact CG-CB 4.29Å; F695-Q707 VanDerWaalsContact CE1-CD 3.49Å; F695-Q707 HydrophobicContact CE1-CG 4.47Å; F695-Q707 HydrophobicContact CZ-CG 4.46Å
696R66.5Low70.7Confident170 Ų17064.8 Ų64.864%0.64237%0.367SS*.THydrogen-bonded Turntrans-69.2-30.8174.3-162.7176.3-172.9161.87.6110.9E509 D694E509-R696 IonicContact OE1-CZ 3.18Å; E509-R696 IonicContact OE1-NH1 2.72Å; E509-R696 IonicContact OE1-NH2 2.74Å; E509-R696 PolarHBondContact OE1-NH2 2.8Å; D694-R696 VanDerWaalsContact C-N 3.26Å; D694-R696 PolarHBondContact O-N 2.83Å; D694-R696 VanDerWaalsContact OD1-CB 3.3Å; D694-R696 WeakPolarHBondContact OD1-CB 3.35Å; D694-R696 PolarHBondContact OD1-N 3.4Å
697A65.2Low70.1Confident84 Ų8462.2 Ų62.269%0.69436%0.36SS*.THydrogen-bonded Turntrans-74.2-23176.700000114D694 F695 G699D694-A697 HydrophobicContact CB-CB 4.46Å; D694-A697 PolarHBondContact O-N 3.3Å; F695-A697 VanDerWaalsContact C-N 3.28Å; F695-A697 PolarHBondContact O-N 2.91Å; A697-G699 VanDerWaalsContact C-N 3.26Å; A697-G699 PolarHBondContact O-N 3.39Å
698I62.4Low69.9Low91 Ų9162.3 Ų62.347%0.46736%0.361SS..THydrogen-bonded Turntrans-79.2-9.8179.8-67.1166.6000111.9V693 F695 E700V693-I698 HydrophobicContact CG1-CD1 3.66Å; F695-I698 HydrophobicContact CD1-CD1 3.97Å; F695-I698 HydrophobicContact CE1-CD1 4.47Å; F695-I698 PolarHBondContact O-N 3.22Å; I698-E700 PolarHBondContact O-N 2.98Å
699G55.6Low69.9Low70 Ų7063.5 Ų63.572%0.72237%0.367SS*.SBendtrans79.5-12.5175.800000115.1A697A697-G699 VanDerWaalsContact C-N 3.26Å; A697-G699 PolarHBondContact O-N 3.39Å
700E56.8Low69.7Low127 Ų12763.9 Ų63.959%0.59337%0.37SS*.  trans-96.193.7178-66.1-168.5164.500112.1I698 G702 A703I698-E700 PolarHBondContact O-N 2.98Å; E700-G702 PolarHBondContact O-N 3.34Å; E700-A703 HydrophobicContact CB-CB 3.99Å; E700-A703 WeakPolarHBondContact O-CB 3.13Å; E700-A703 PolarHBondContact O-N 3.33Å
701S54.3Low69.6Low127 Ų12761.5 Ų61.589%0.88836%0.358SS*.THydrogen-bonded Turntrans-58.3-15.7178.156.60000114.9
702G62.9Low69.8Low43 Ų4362.9 Ų62.944%0.44337%0.365SS..THydrogen-bonded Turntrans-87.9-19.417400000115.8E700 L704 F705 L706E700-G702 PolarHBondContact O-N 3.34Å; G702-L704 VanDerWaalsContact C-N 3.32Å; G702-L704 PolarHBondContact O-N 3.47Å; G702-F705 PolarHBondContact O-N 2.97Å; G702-F705 VanDerWaalsContact O-N 3.15Å; G702-L706 PolarHBondContact O-N 3.29Å
703A66.2Low69.9Low16 Ų1663.2 Ų63.213%0.13237%0.372CS..Hα-helixtrans-62.3-39.4-172.700000112.4F695 E700 F705 L706 Q707F695-A703 HydrophobicContact CD1-CB 4.5Å; E700-A703 HydrophobicContact CB-CB 3.99Å; E700-A703 WeakPolarHBondContact O-CB 3.13Å; E700-A703 PolarHBondContact O-N 3.33Å; A703-F705 VanDerWaalsContact C-N 3.35Å; A703-F705 PolarHBondContact O-N 3.43Å; A703-L706 PolarHBondContact O-N 2.9Å; A703-Q707 PolarHBondContact O-N 3.41Å
704L69.4Low70.3Confident28 Ų2861.4 Ų61.415%0.14736%0.361CS..Hα-helixtrans-55.1-46.8174.7178153000112.3Q668 F695 G702 L706 L708Q668-L704 HydrophobicContact CB-CD1 4.32Å; Q668-L704 HydrophobicContact CG-CD1 3.62Å; F695-L704 HydrophobicContact CB-CB 4.13Å; F695-L704 HydrophobicContact CD2-CB 4.04Å; F695-L704 HydrophobicContact CD2-CD1 4.46Å; F695-L704 HydrophobicContact CD2-CG 4.35Å; F695-L704 HydrophobicContact CG-CB 4.29Å; G702-L704 VanDerWaalsContact C-N 3.32Å; G702-L704 PolarHBondContact O-N 3.47Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 2.79Å; L704-L708 HydrophobicContact CD2-CD1 3.75Å; L704-L708 HydrophobicContact CG-CD1 3.87Å; L704-L708 WeakPolarHBondContact O-CB 3.3Å; L704-L708 WeakPolarHBondContact O-CD1 3.48Å; L704-L708 PolarHBondContact O-N 3.48Å; L704-L708 VanDerWaalsContact O-N 3.09Å
705F70.6Confident70.9Confident100 Ų10060.2 Ų60.244%0.43935%0.354SS..Hα-helixtrans-63.1-41179.6177.7-97.2000111.2L441 G702 A703 L709L441-F705 HydrophobicContact CB-CD2 4.5Å; L441-F705 HydrophobicContact CD1-CE2 4.45Å; G702-F705 PolarHBondContact O-N 2.97Å; G702-F705 VanDerWaalsContact O-N 3.15Å; A703-F705 VanDerWaalsContact C-N 3.35Å; A703-F705 PolarHBondContact O-N 3.43Å; F705-L709 WeakPolarHBondContact O-CB 3.28Å; F705-L709 PolarHBondContact O-N 3.5Å; F705-L709 VanDerWaalsContact O-N 3.09Å
706L68.7Low71.2Confident120 Ų12062.2 Ų62.263%0.62837%0.367SS*.Hα-helixtrans-69.9-41.7-176.8-138.5129000112.1G702 A703 L704 L709G702-L706 PolarHBondContact O-N 3.29Å; A703-L706 PolarHBondContact O-N 2.9Å; L704-L706 VanDerWaalsContact C-N 3.31Å; L704-L706 PolarHBondContact O-N 2.79Å; L706-L709 PolarHBondContact O-N 3.48Å
707Q71.6Confident72Confident66 Ų6655.5 Ų55.531%0.30835%0.345SS..Hα-helixtrans-71.7-35.8177.5-66.1-15818.400113.2F695 A703 L709 P711F695-Q707 VanDerWaalsContact CE1-CD 3.49Å; F695-Q707 HydrophobicContact CE1-CG 4.47Å; F695-Q707 HydrophobicContact CZ-CG 4.46Å; A703-Q707 PolarHBondContact O-N 3.41Å; Q707-L709 VanDerWaalsContact C-N 3.34Å; Q707-P711 WeakPolarHBondContact O-CD 3.32Å
708L76.8Confident73Confident3 Ų351.5 Ų51.52%0.01631%0.312CS..Hα-helixtrans-71.5-26.1174.1-90.1135.8000113.1I661 L704 A710 P711 I712I661-L708 HydrophobicContact CB-CD2 4.48Å; I661-L708 HydrophobicContact CG2-CD2 3.96Å; L704-L708 HydrophobicContact CD2-CD1 3.75Å; L704-L708 HydrophobicContact CG-CD1 3.87Å; L704-L708 WeakPolarHBondContact O-CB 3.3Å; L704-L708 WeakPolarHBondContact O-CD1 3.48Å; L704-L708 PolarHBondContact O-N 3.48Å; L704-L708 VanDerWaalsContact O-N 3.09Å; L708-A710 PolarHBondContact O-N 2.79Å; L708-P711 WeakPolarHBondContact O-CD 3.44Å; L708-I712 HydrophobicContact CB-CD1 4.23Å; L708-I712 WeakPolarHBondContact O-CB 3.4Å; L708-I712 WeakPolarHBondContact O-CD1 3.38Å; L708-I712 WeakPolarHBondContact O-CG1 3.35Å; L708-I712 PolarHBondContact O-N 3.39Å; L708-I712 VanDerWaalsContact O-N 3.12Å
709L77.2Confident73.8Confident89 Ų8948.4 Ų48.447%0.46630%0.296SS..Hα-helixtrans-60.9-39.5-177.7-17663.7000113.2F705 L706 Q707 I712 A713F705-L709 WeakPolarHBondContact O-CB 3.28Å; F705-L709 PolarHBondContact O-N 3.5Å; F705-L709 VanDerWaalsContact O-N 3.09Å; L706-L709 PolarHBondContact O-N 3.48Å; Q707-L709 VanDerWaalsContact C-N 3.34Å; L709-I712 PolarHBondContact O-N 3.3Å; L709-A713 WeakPolarHBondContact O-CB 3.26Å; L709-A713 PolarHBondContact O-N 3.5Å
710A75.7Confident74.9Confident18 Ų1847.8 Ų47.815%0.14928%0.276CS..Hα-helixtrans-70.5-47.2-17700000113.7V611 F615 L708 I712 A713 L714V611-A710 HydrophobicContact CG2-CB 4.43Å; F615-A710 HydrophobicContact CE2-CB 3.5Å; F615-A710 HydrophobicContact CZ-CB 3.49Å; F615-A710 VanDerWaalsContact CZ-CB 3.49Å; L708-A710 PolarHBondContact O-N 2.79Å; A710-I712 VanDerWaalsContact C-N 3.32Å; A710-I712 PolarHBondContact O-N 3.29Å; A710-A713 PolarHBondContact O-N 2.91Å; A710-L714 PolarHBondContact O-N 3.12Å
711P80.2Confident76.2Confident9 Ų941.8 Ų41.86%0.05825%0.247CC..Hα-helixtrans-57.5-39.9167.9-27.436.1000113.3V660 I661 Q707 L708 L714 F715V660-P711 HydrophobicContact CG1-CG 4.4Å; I661-P711 HydrophobicContact CD1-CB 4.24Å; I661-P711 HydrophobicContact CG1-CB 3.73Å; Q707-P711 WeakPolarHBondContact O-CD 3.32Å; L708-P711 WeakPolarHBondContact O-CD 3.44Å; P711-L714 PolarHBondContact O-N 3.36Å; P711-F715 WeakPolarHBondContact O-CB 3.31Å; P711-F715 PolarHBondContact O-N 3.2Å
712I80.8Confident77.5Confident33 Ų3337.3 Ų37.317%0.16921%0.213CC..Hα-helixtrans-63.8-42176.1-69.9167.5000111L441 I661 L708 L709 A710 F715 V716L441-I712 HydrophobicContact CD1-CD1 4.23Å; I661-I712 HydrophobicContact CD1-CG1 3.88Å; I661-I712 HydrophobicContact CG1-CG1 4.23Å; L708-I712 HydrophobicContact CB-CD1 4.23Å; L708-I712 WeakPolarHBondContact O-CB 3.4Å; L708-I712 WeakPolarHBondContact O-CD1 3.38Å; L708-I712 WeakPolarHBondContact O-CG1 3.35Å; L708-I712 PolarHBondContact O-N 3.39Å; L708-I712 VanDerWaalsContact O-N 3.12Å; L709-I712 PolarHBondContact O-N 3.3Å; A710-I712 VanDerWaalsContact C-N 3.32Å; A710-I712 PolarHBondContact O-N 3.29Å; I712-F715 PolarHBondContact O-N 2.84Å; I712-V716 WeakPolarHBondContact O-CG2 3.37Å; I712-V716 PolarHBondContact O-N 3.21Å
713A82.2Confident78.1Confident43 Ų4339.3 Ų39.336%0.35521%0.21SC..Hα-helixtrans-64-44.1176.300000111.8L709 A710 V716 V717L709-A713 WeakPolarHBondContact O-CB 3.26Å; L709-A713 PolarHBondContact O-N 3.5Å; A710-A713 PolarHBondContact O-N 2.91Å; A713-V716 PolarHBondContact O-N 3.01Å; A713-V717 WeakPolarHBondContact O-CB 3.35Å; A713-V717 WeakPolarHBondContact O-CG2 3.4Å; A713-V717 PolarHBondContact O-N 3.24Å
714L85.7Confident78.5Confident0 Ų044.8 Ų44.80%023%0.231CC..Hα-helixtrans-62.7-41.8175.3-176.960.5000111.5V607 L608 V611 F624 L653 T657 A710 P711 V717 T718V607-L714 HydrophobicContact CG1-CD1 3.98Å; L608-L714 HydrophobicContact CD1-CD2 4.48Å; V611-L714 HydrophobicContact CG1-CD2 4.38Å; F624-L714 HydrophobicContact CD1-CD2 4.37Å; F624-L714 HydrophobicContact CE1-CD2 3.78Å; F624-L714 HydrophobicContact CZ-CD2 4.11Å; L653-L714 HydrophobicContact CD1-CD2 4.4Å; L653-L714 HydrophobicContact CD2-CD1 4.44Å; T657-L714 HydrophobicContact CG2-CB 4.3Å; T657-L714 HydrophobicContact CG2-CD2 3.61Å; T657-L714 HydrophobicContact CG2-CG 3.85Å; A710-L714 PolarHBondContact O-N 3.12Å; P711-L714 PolarHBondContact O-N 3.36Å; L714-V717 PolarHBondContact O-N 2.64Å; L714-T718 HydrophobicContact CD1-CG2 3.97Å; L714-T718 HydrophobicContact CG-CG2 4.4Å; L714-T718 WeakPolarHBondContact O-CB 3.32Å; L714-T718 VanDerWaalsContact O-CG2 3.29Å; L714-T718 WeakPolarHBondContact O-CG2 3.5Å; L714-T718 PolarHBondContact O-N 2.95Å; L714-T718 PolarHBondContact O-OG1 3.2Å
715F85.4Confident79Confident19 Ų1945.1 Ų45.18%0.08323%0.231CC..Hα-helixtrans-59.3-45.9173.9174.5-94.3000112.1T654 I661 P711 I712 T718 M719T654-F715 HydrophobicContact CG2-CD2 3.6Å; T654-F715 HydrophobicContact CG2-CE2 3.76Å; I661-F715 HydrophobicContact CD1-CB 4.21Å; P711-F715 WeakPolarHBondContact O-CB 3.31Å; P711-F715 PolarHBondContact O-N 3.2Å; I712-F715 PolarHBondContact O-N 2.84Å; F715-T718 PolarHBondContact O-OG1 3.26Å; F715-T718 VanDerWaalsContact O-OG1 3.09Å; F715-M719 HydrophobicContact CE1-CG 4.35Å; F715-M719 HydrophobicContact CE2-CE 4.24Å; F715-M719 HydrophobicContact CE2-CG 4.37Å; F715-M719 HydrophobicContact CZ-CE 4.36Å; F715-M719 HydrophobicContact CZ-CG 4.19Å; F715-M719 VanDerWaalsContact O-CB 3.26Å; F715-M719 WeakPolarHBondContact O-CB 3.43Å; F715-M719 WeakPolarHBondContact O-CG 3.4Å; F715-M719 PolarHBondContact O-N 2.96Å
716V80.2Confident79.6Confident51 Ų5141.9 Ų41.931%0.30922%0.217SC..Hα-helixtrans-65.7-45.2177.7171.90000111.3I712 A713 M719 L720I712-V716 WeakPolarHBondContact O-CG2 3.37Å; I712-V716 PolarHBondContact O-N 3.21Å; A713-V716 PolarHBondContact O-N 3.01Å; V716-M719 PolarHBondContact O-N 3.44Å; V716-L720 HydrophobicContact CG1-CD1 4.2Å; V716-L720 VanDerWaalsContact O-CG 3.32Å; V716-L720 WeakPolarHBondContact O-CG 3.49Å; V716-L720 PolarHBondContact O-N 3.46Å
717V84.7Confident79.9Confident28 Ų2837.8 Ų37.817%0.1721%0.205CC..Hα-helixtrans-65.7-43.4-178.9168.40000111.8F600 V604 A713 L714 L720 Q721F600-V717 HydrophobicContact CE1-CG1 4.05Å; F600-V717 HydrophobicContact CZ-CG1 4.26Å; V604-V717 HydrophobicContact CG2-CG1 4.03Å; A713-V717 WeakPolarHBondContact O-CB 3.35Å; A713-V717 WeakPolarHBondContact O-CG2 3.4Å; A713-V717 PolarHBondContact O-N 3.24Å; L714-V717 PolarHBondContact O-N 2.64Å; V717-L720 PolarHBondContact O-N 2.9Å; V717-Q721 PolarHBondContact O-N 3.46Å
718T85Confident80.2Confident0 Ų036.3 Ų36.30%020%0.2CC..Hα-helixtrans-67.2-37.3175.753.50000112V604 L653 T654 L714 F715 Q721 L722V604-T718 HydrophobicContact CG1-CG2 4.03Å; L653-T718 HydrophobicContact CD2-CG2 3.73Å; L653-T718 HydrophobicContact CG-CG2 4.18Å; T654-T718 WeakPolarHBondContact OG1-CB 3.47Å; T654-T718 PolarHBondContact OG1-OG1 3.48Å; L714-T718 HydrophobicContact CD1-CG2 3.97Å; L714-T718 HydrophobicContact CG-CG2 4.4Å; L714-T718 WeakPolarHBondContact O-CB 3.32Å; L714-T718 VanDerWaalsContact O-CG2 3.29Å; L714-T718 WeakPolarHBondContact O-CG2 3.5Å; L714-T718 PolarHBondContact O-N 2.95Å; L714-T718 PolarHBondContact O-OG1 3.2Å; F715-T718 PolarHBondContact O-OG1 3.26Å; F715-T718 VanDerWaalsContact O-OG1 3.09Å; T718-Q721 PolarHBondContact O-N 3.5Å; T718-L722 WeakPolarHBondContact O-CB 3.4Å; T718-L722 PolarHBondContact O-N 2.93Å
719M79.6Confident80.5Confident27 Ų2736.9 Ų36.913%0.13320%0.202CC..Hα-helixtrans-63.8-37171.6-84.1-73169.700113.2T654 F715 V716 L722 K723T654-M719 HydrophobicContact CG2-CE 3.56Å; T654-M719 HydrophobicContact CG2-CG 3.96Å; T654-M719 HydrophobicContact CG2-SD 4.46Å; F715-M719 HydrophobicContact CE1-CG 4.35Å; F715-M719 HydrophobicContact CE2-CE 4.24Å; F715-M719 HydrophobicContact CE2-CG 4.37Å; F715-M719 HydrophobicContact CZ-CE 4.36Å; F715-M719 HydrophobicContact CZ-CG 4.19Å; F715-M719 VanDerWaalsContact O-CB 3.26Å; F715-M719 WeakPolarHBondContact O-CB 3.43Å; F715-M719 WeakPolarHBondContact O-CG 3.4Å; F715-M719 PolarHBondContact O-N 2.96Å; V716-M719 PolarHBondContact O-N 3.44Å; M719-L722 PolarHBondContact O-N 3.24Å; M719-K723 WeakPolarHBondContact O-CB 3.49Å; M719-K723 WeakPolarHBondContact O-CG 3.31Å; M719-K723 PolarHBondContact O-N 3.28Å
720L78.9Confident80.5Confident57 Ų5734.6 Ų34.630%0.29819%0.194SC..Hα-helixtrans-66.3-43.2173.3-70.6172.4000111.7F600 V716 V717 L722 K723 F724 F725F600-L720 HydrophobicContact CE1-CB 4.37Å; F600-L720 HydrophobicContact CZ-CB 4.11Å; V716-L720 HydrophobicContact CG1-CD1 4.2Å; V716-L720 VanDerWaalsContact O-CG 3.32Å; V716-L720 WeakPolarHBondContact O-CG 3.49Å; V716-L720 PolarHBondContact O-N 3.46Å; V717-L720 PolarHBondContact O-N 2.9Å; L720-L722 VanDerWaalsContact C-N 3.35Å; L720-L722 PolarHBondContact O-N 2.92Å; L720-K723 PolarHBondContact O-N 3.26Å; L720-F724 HydrophobicContact CD2-CD2 3.66Å; L720-F724 HydrophobicContact CD2-CE2 3.65Å; L720-F724 PolarHBondContact O-N 2.94Å; L720-F725 HydrophobicContact CB-CE2 4.43Å
721Q84.4Confident80.4Confident1 Ų142.3 Ų42.31%0.00522%0.219CC..Iπ-helixtrans-58-46173.717466.5-10.800111.4F600 V604 W650 V717 T718 F725 H726F600-Q721 HydrophobicContact CD1-CB 3.94Å; F600-Q721 HydrophobicContact CE1-CB 3.97Å; V604-Q721 HydrophobicContact CG2-CB 3.9Å; V604-Q721 HydrophobicContact CG2-CG 4.05Å; W650-Q721 HydrophobicContact CD2-CG 4.49Å; W650-Q721 HydrophobicContact CG-CG 4.37Å; V717-Q721 PolarHBondContact O-N 3.46Å; T718-Q721 PolarHBondContact O-N 3.5Å; Q721-F725 PolarHBondContact O-N 3.1Å; Q721-H726 WeakPolarHBondContact O-CB 3.39Å; Q721-H726 PolarHBondContact O-N 2.88Å
722L81.4Confident79.9Confident33 Ų3345 Ų4517%0.17324%0.242CC..Iπ-helixtrans-66.9-46.8178.4-82.9159.2000113.1Y647 W650 T654 T718 M719 L720Y647-L722 HydrophobicContact CD2-CD2 4.12Å; Y647-L722 HydrophobicContact CE2-CD2 3.73Å; W650-L722 HydrophobicContact CB-CD1 4.41Å; W650-L722 HydrophobicContact CB-CD2 4.3Å; W650-L722 HydrophobicContact CB-CG 4.2Å; T654-L722 WeakPolarHBondContact OG1-CD1 3.45Å; T718-L722 WeakPolarHBondContact O-CB 3.4Å; T718-L722 PolarHBondContact O-N 2.93Å; M719-L722 PolarHBondContact O-N 3.24Å; L720-L722 VanDerWaalsContact C-N 3.35Å; L720-L722 PolarHBondContact O-N 2.92Å
723K75.2Confident79.5Confident85 Ų8545.1 Ų45.137%0.3725%0.245SC..Iπ-helixtrans-79.8-32.9-173.9-71.2-170.3177.1-171.90114.3W459 F461 M719 L720W459-K723 PolarHBondContact O-NZ 3.49Å; F461-K723 PolarHBondContact O-NZ 3.25Å; M719-K723 WeakPolarHBondContact O-CB 3.49Å; M719-K723 WeakPolarHBondContact O-CG 3.31Å; M719-K723 PolarHBondContact O-N 3.28Å; L720-K723 PolarHBondContact O-N 3.26Å
724F74.5Confident78.8Confident131 Ų13145.2 Ų45.258%0.57524%0.243SC*.Iπ-helixtrans-118-34.9-171.4-61-64.6000115.2L720L720-F724 HydrophobicContact CD2-CD2 3.66Å; L720-F724 HydrophobicContact CD2-CE2 3.65Å; L720-F724 PolarHBondContact O-N 2.94Å
725F80.3Confident77.5Confident35 Ų3549.4 Ų49.415%0.15427%0.27CS..Iπ-helixtrans-113.7-22-162.6-56.3-52.9000116.4V596 F600 L720 Q721 G727 P728 W729V596-F725 HydrophobicContact CG1-CE1 3.96Å; V596-F725 HydrophobicContact CG1-CZ 3.91Å; F600-F725 HydrophobicContact CB-CB 4.19Å; F600-F725 HydrophobicContact CB-CD2 4Å; F600-F725 HydrophobicContact CB-CG 4.16Å; F600-F725 AromaticContact CD1-CD2 3.63Å; F600-F725 HydrophobicContact CD1-CD2 3.63Å; F600-F725 HydrophobicContact CD1-CE2 4.24Å; F600-F725 HydrophobicContact CD1-CG 4.47Å; F600-F725 AromaticContact CD2-CD2 3.6Å; F600-F725 HydrophobicContact CD2-CD2 3.6Å; F600-F725 AromaticContact CD2-CE2 3.5Å; F600-F725 HydrophobicContact CD2-CE2 3.5Å; F600-F725 VanDerWaalsContact CD2-CE2 3.5Å; F600-F725 HydrophobicContact CD2-CG 4.44Å; F600-F725 HydrophobicContact CD2-CZ 4.28Å; F600-F725 AromaticContact CE1-CD2 3.91Å; F600-F725 HydrophobicContact CE1-CD2 3.91Å; F600-F725 HydrophobicContact CE1-CE2 4.22Å; F600-F725 AromaticContact CE2-CD2 3.89Å; F600-F725 HydrophobicContact CE2-CD2 3.89Å; F600-F725 AromaticContact CE2-CE2 3.49Å; F600-F725 HydrophobicContact CE2-CE2 3.49Å; F600-F725 VanDerWaalsContact CE2-CE2 3.49Å; F600-F725 HydrophobicContact CE2-CZ 4.4Å; F600-F725 HydrophobicContact CG-CB 4.46Å; F600-F725 AromaticContact CG-CD2 3.45Å; F600-F725 HydrophobicContact CG-CD2 3.45Å; F600-F725 VanDerWaalsContact CG-CD2 3.45Å; F600-F725 AromaticContact CG-CE2 3.89Å; F600-F725 HydrophobicContact CG-CE2 3.89Å; F600-F725 HydrophobicContact CG-CG 4.12Å; F600-F725 HydrophobicContact CZ-CD2 4.04Å; F600-F725 AromaticContact CZ-CE2 3.86Å; F600-F725 HydrophobicContact CZ-CE2 3.86Å; L720-F725 HydrophobicContact CB-CE2 4.43Å; Q721-F725 PolarHBondContact O-N 3.1Å; F725-G727 PolarHBondContact O-N 3.38Å; F725-P728 VanDerWaalsContact O-CD 3.31Å; F725-P728 WeakPolarHBondContact O-CD 3.23Å; F725-W729 PolarHBondContact O-N 2.73Å
726H82.6Confident76.1Confident31 Ų3159.9 Ų59.914%0.14431%0.309CS..Hα-helixtrans-61.4-42.2-179.6-177.781.5000113.4Y647 Q721 W729 S730Y647-H726 AromaticContact CD2-CD2 3.73Å; Y647-H726 AromaticContact CD2-NE2 3.66Å; Q721-H726 WeakPolarHBondContact O-CB 3.39Å; Q721-H726 PolarHBondContact O-N 2.88Å; H726-W729 PolarHBondContact O-N 2.57Å; H726-S730 PolarHBondContact O-N 3.24Å; H726-S730 VanDerWaalsContact O-N 3.13Å; H726-S730 PolarHBondContact O-OG 2.87Å
727G75.8Confident74.5Confident35 Ų3568.3 Ų68.336%0.36134%0.335SS..Hα-helixtrans-65.3-38.4-178.500000115.1F725 S730 R731F725-G727 PolarHBondContact O-N 3.38Å; G727-S730 PolarHBondContact O-OG 2.71Å; G727-R731 PolarHBondContact O-NE 3.02Å
728P78Confident72.3Confident34 Ų3472.1 Ų72.122%0.22137%0.37CS..Hα-helixtrans-64.4-47.4166.9-29.536.1000114.6S597 F725 S730 R731 A732S597-P728 VanDerWaalsContact OG-CB 3.23Å; S597-P728 WeakPolarHBondContact OG-CB 3.29Å; F725-P728 VanDerWaalsContact O-CD 3.31Å; F725-P728 WeakPolarHBondContact O-CD 3.23Å; P728-S730 PolarHBondContact O-N 2.92Å; P728-R731 PolarHBondContact O-N 2.96Å; P728-A732 PolarHBondContact O-N 3.42Å; P728-A732 VanDerWaalsContact O-N 3.13Å
729W82.1Confident70.2Confident15 Ų1580 Ų806%0.05741%0.406CS..Hα-helixtrans-62.1-41.2-175.8174.587000113.5I601 Y642 R643 A646 F725 H726 R731 A732 T733I601-W729 HydrophobicContact CD1-CD2 4.25Å; I601-W729 HydrophobicContact CD1-CH2 4.03Å; I601-W729 HydrophobicContact CD1-CZ2 3.49Å; I601-W729 VanDerWaalsContact CD1-CZ2 3.49Å; Y642-W729 HydrophobicContact CE1-CH2 4.34Å; Y642-W729 HydrophobicContact CE1-CZ2 4.22Å; R643-W729 HydrophobicContact CG-CH2 4.39Å; R643-W729 HydrophobicContact CG-CZ3 4.45Å; A646-W729 HydrophobicContact CB-CH2 4.21Å; A646-W729 HydrophobicContact CB-CZ3 4.02Å; F725-W729 PolarHBondContact O-N 2.73Å; H726-W729 PolarHBondContact O-N 2.57Å; W729-R731 VanDerWaalsContact C-N 3.29Å; W729-R731 PolarHBondContact O-N 3.23Å; W729-A732 PolarHBondContact O-N 3.47Å; W729-T733 HydrophobicContact CD2-CG2 4.49Å; W729-T733 HydrophobicContact CZ2-CG2 4.27Å; W729-T733 PolarHBondContact O-N 2.75Å; W729-T733 PolarHBondContact O-OG1 3.18Å
730S78.1Confident68Low41 Ų4185.7 Ų85.729%0.28744%0.437SS..Hα-helixtrans-64.8-32.8179.764.70000113H726 G727 P728H726-S730 PolarHBondContact O-N 3.24Å; H726-S730 VanDerWaalsContact O-N 3.13Å; H726-S730 PolarHBondContact O-OG 2.87Å; G727-S730 PolarHBondContact O-OG 2.71Å; P728-S730 PolarHBondContact O-N 2.92Å
731R74.4Confident65.7Low180 Ų18090.7 Ų90.768%0.67946%0.464SS*.Hα-helixtrans-71.7-41.5174.1-74-177-74.5161.6-3.6111.8G727 P728 W729 T733 S734G727-R731 PolarHBondContact O-NE 3.02Å; P728-R731 PolarHBondContact O-N 2.96Å; W729-R731 VanDerWaalsContact C-N 3.29Å; W729-R731 PolarHBondContact O-N 3.23Å; R731-T733 VanDerWaalsContact C-N 3.32Å; R731-T733 PolarHBondContact O-N 3.42Å; R731-S734 PolarHBondContact O-N 3.13Å; R731-S734 PolarHBondContact O-OG 3.47Å; R731-S734 VanDerWaalsContact O-OG 3.05Å
732A69.8Low63.3Low65 Ų6594.2 Ų94.254%0.53749%0.487SS..Hα-helixtrans-67.7-27.1-178.700000114.2V598 P728 W729V598-A732 HydrophobicContact CG2-CB 4.08Å; P728-A732 PolarHBondContact O-N 3.42Å; P728-A732 VanDerWaalsContact O-N 3.13Å; W729-A732 PolarHBondContact O-N 3.47Å
733T71.2Confident61Low37 Ų3799.2 Ų99.223%0.22752%0.522CS..THydrogen-bonded Turntrans-992.3-178.654.20000113.9W729 R731W729-T733 HydrophobicContact CD2-CG2 4.49Å; W729-T733 HydrophobicContact CZ2-CG2 4.27Å; W729-T733 PolarHBondContact O-N 2.75Å; W729-T733 PolarHBondContact O-OG1 3.18Å; R731-T733 VanDerWaalsContact C-N 3.32Å; R731-T733 PolarHBondContact O-N 3.42Å
734S67.7Low58.9Low45 Ų45100 Ų10032%0.31553%0.534SS..SBendtrans-78.5131.817871.30000111.2R643 R731 R736R643-S734 VanDerWaalsContact NH1-CB 3.31Å; R731-S734 PolarHBondContact O-N 3.13Å; R731-S734 PolarHBondContact O-OG 3.47Å; R731-S734 VanDerWaalsContact O-OG 3.05Å; S734-R736 PolarHBondContact O-N 3.26Å
735P58.9Low57Low87 Ų8799 Ų9957%0.56554%0.543SS*.  trans-66.4106.9165.927.8-31.1000106.9R737P735-R737 PolarHBondContact O-N 3.45Å
736R55.3Low54.7Low240 Ų240103.7 Ų103.791%0.90658%0.575SS**  trans-57.6104.8170.8-88.1-179.6161.2171.7-8.7107.9S734S734-R736 PolarHBondContact O-N 3.26Å
737R47.1Very low52.2Low227 Ų227108.3 Ų108.386%0.85761%0.605SS**  trans-59.9145.2157.9-85.3-177.1174.6154.8-2.7107.5P735 E739P735-R737 PolarHBondContact O-N 3.45Å; R737-E739 PolarHBondContact O-N 2.84Å
738A39Very low50Low109 Ų109115.4 Ų115.490%0.90163%0.629SS**  trans-64.2103.1178.600000109.5
739E40.4Very low47.6Very low165 Ų165117.8 Ų117.877%0.77165%0.652SS**  trans-146.586.8177.3-163.2159.4-152.200109.7R737 D741R737-E739 PolarHBondContact O-N 2.84Å; E739-D741 PolarHBondContact O-N 3.27Å; E739-D741 VanDerWaalsContact O-N 3.15Å
740N34.1Very low45.2Very low146 Ų146122.1 Ų122.178%0.78169%0.691SS**  50.747.1127.1-56-11000119.9
741D30.1Very low42.9Very low163 Ų163124.3 Ų124.387%0.87271%0.711SS**  trans-119.989.2141.6-94.4-32.6000108.8E739E739-D741 PolarHBondContact O-N 3.27Å; E739-D741 VanDerWaalsContact O-N 3.15Å
742P32.6Very low40.8Very low74 Ų74121.5 Ų121.548%0.48171%0.713SS.*  trans-70.8154.3159.30.517.8000108.5T744P742-T744 HydrophobicContact CB-CG2 4.05Å; P742-T744 WeakPolarHBondContact CB-OG1 3.45Å; P742-T744 WeakPolarHBondContact CD-OG1 3.39Å; P742-T744 HydrophobicContact CG-CG2 4.16Å; P742-T744 VanDerWaalsContact CG-OG1 3.27Å; P742-T744 WeakPolarHBondContact CG-OG1 3.48Å; P742-T744 PolarHBondContact O-N 2.9Å; P742-T744 PolarHBondContact O-OG1 3.31Å
743P33.7Very low38.9Very low139 Ų139123 Ų12390%0.90373%0.726SS**  trans-69.366.8153.931.5-32.5000109.3S745P743-S745 PolarHBondContact O-N 3.43Å
744T31.3Very low37Very low102 Ų102125.2 Ų125.263%0.62674%0.743SS**  trans-8483.9178.48.10000110.4P742P742-T744 HydrophobicContact CB-CG2 4.05Å; P742-T744 WeakPolarHBondContact CB-OG1 3.45Å; P742-T744 WeakPolarHBondContact CD-OG1 3.39Å; P742-T744 HydrophobicContact CG-CG2 4.16Å; P742-T744 VanDerWaalsContact CG-OG1 3.27Å; P742-T744 WeakPolarHBondContact CG-OG1 3.48Å; P742-T744 PolarHBondContact O-N 2.9Å; P742-T744 PolarHBondContact O-OG1 3.31Å
745S33.4Very low35.2Very low109 Ų109129.3 Ų129.376%0.76277%0.766SS**SBendtrans-176107.114932.20000107.4P743P743-S745 PolarHBondContact O-N 3.43Å
746T32.2Very low33.9Very low133 Ų133130.9 Ų130.982%0.81678%0.78SS**  cis-136140.17.837.50000112.4E748T746-E748 PolarHBondContact O-N 3.28Å
747T30.3Very low32.8Very low128 Ų128122.8 Ų122.879%0.78577%0.771SS**THydrogen-bonded Turntrans-58.6119161.710.70000110.3
748E29.1Very low32.1Very low185 Ų185119.1 Ų119.186%0.86477%0.774SS**THydrogen-bonded Turntrans173.2-20.4146.9-101.1169.9-165.300113.1T746 A750T746-E748 PolarHBondContact O-N 3.28Å; E748-A750 PolarHBondContact O-N 3.32Å
749A29Very low31.6Very low84 Ų84123.7 Ų123.769%0.69478%0.777SS**THydrogen-bonded Turntrans-83.91.7-172.600000116.8
750A30.5Very low30.9Very low106 Ų106119 Ų11988%0.87677%0.772SS**THydrogen-bonded Turntrans-88.1-5.8-169.500000115.6E748E748-A750 PolarHBondContact O-N 3.32Å
751A30.8Very low30.7Very low86 Ų86122 Ų12271%0.71177%0.772SS**SBendtrans-118.82-178.900000114.2
752V31.1Very low30.7Very low121 Ų121117.9 Ų117.973%0.73376%0.761SS**  trans-132.137.2-176.9-160.90000111.3
753A28.7Very low30.6Very low97 Ų97123.7 Ų123.780%0.80278%0.781SS**  trans-101.63.7169.100000112.7
754S31.2Very low30.6Very low84 Ų84122.4 Ų122.459%0.58778%0.782SS**SBendtrans-93.3121.4167.349.60000110.1
755T31.4Very low30.6Very low130 Ų130122.4 Ų122.480%0.79879%0.793SS**SBendtrans77.7131.5171.1-0.40000118
756S31.1Very low30.8Very low121 Ų121120.5 Ų120.585%0.84679%0.79SS**  trans61.1124.5164.257.30000120.9
757G31.4Very low31.4Very low70 Ų70119 Ų11972%0.72278%0.777SS**  134.623.2119.900000122.6
758T32.9Very low32.5Very low150 Ų150116.9 Ų116.992%0.9276%0.764SS**  trans-153.6122.9155.4-10.90000112.9
759Q28Very low33.2Very low205 Ų205114.3 Ų114.396%0.95876%0.755SS**  trans-84.1131.5177.8-66.2164.6-32.100109.4
760G27Very low34.2Very low65 Ų65115.7 Ų115.767%0.6776%0.755SS**  trans168.272-179.800000117.5A762G760-A762 PolarHBondContact O-N 2.82Å; G760-A762 VanDerWaalsContact O-N 3.12Å
761R28.1Very low35.5Very low211 Ų211117.2 Ų117.280%0.79674%0.742SS**SBendtrans46.151.6137.3-153172.8-176177.1-3.1118.8D1453R761-D1453 IonicContact CZ-OD1 2.9Å; R761-D1453 IonicContact CZ-OD2 3.69Å; R761-D1453 VanDerWaalsContact CZ-OD2 3.23Å; R761-D1453 IonicContact NH1-OD1 2.71Å; R761-D1453 IonicContact NH1-OD2 2.74Å; R761-D1453 PolarHBondContact NH1-OD2 3.32Å; R761-D1453 IonicContact NH2-OD1 2.8Å; R761-D1453 IonicContact NH2-OD2 2.79Å; R761-D1453 PolarHBondContact NH2-OD2 2.8Å
762A30.3Very low37Very low76 Ų76119.3 Ų119.363%0.62874%0.735SS**  trans-145-8.1-179.800000120.5G760G760-A762 PolarHBondContact O-N 2.82Å; G760-A762 VanDerWaalsContact O-N 3.12Å
763H31.4Very low38.6Very low196 Ų196118.8 Ų118.891%0.90773%0.727SS**SBendtrans-126.926.8-160.5-79.5-48.9000119.2
764A32.7Very low40.4Very low112 Ų112119.4 Ų119.493%0.92671%0.714SS**SBendtrans-124-2177.700000116.2
765A33Very low42.4Very low102 Ų102122.2 Ų122.284%0.84372%0.715SS**SBendtrans-117.1139.6-174.100000112.8
766G37.2Very low44.1Very low68 Ų68121 Ų12170%0.70170%0.703SS**  trans92.627.415700000118.5T768G766-T768 PolarHBondContact O-N 3.44Å
767D43.5Very low45.9Very low101 Ų101116.9 Ų116.954%0.5468%0.676SS.*  trans-69.682.2165.6-146.125.1000109.3K771D767-K771 WeakPolarHBondContact OD1-CD 3.23Å
768T53.2Low48Very low84 Ų84117.3 Ų117.352%0.51566%0.662SS.*  trans-46.3141.3-167.5510000112.6G766 V770 K771 K772G766-T768 PolarHBondContact O-N 3.44Å; T768-V770 PolarHBondContact O-N 3.09Å; T768-K771 WeakPolarHBondContact O-CB 3.41Å; T768-K771 PolarHBondContact O-N 3.36Å; T768-K772 PolarHBondContact O-N 2.89Å
769L44Very low50Low132 Ų132116.1 Ų116.169%0.69165%0.646SS**Hα-helixtrans-50.9-34.6-174.3-164.7150.9000112.3K772 L773L769-K772 PolarHBondContact O-N 3.33Å; L769-L773 HydrophobicContact CD2-CD1 3.66Å; L769-L773 VanDerWaalsContact O-CB 3.31Å; L769-L773 WeakPolarHBondContact O-CB 3.39Å; L769-L773 PolarHBondContact O-N 3.02Å
770V50Low52.3Low113 Ų113109.8 Ų109.869%0.68562%0.622SS**Hα-helixtrans-58.6-43172.9-175.60000113.7T768 L773 H774T768-V770 PolarHBondContact O-N 3.09Å; V770-L773 PolarHBondContact O-N 3.26Å; V770-H774 WeakPolarHBondContact O-CB 3.36Å; V770-H774 PolarHBondContact O-N 3.28Å
771K59.1Low54.8Low137 Ų137110.1 Ų110.160%0.59661%0.607SS**Hα-helixtrans-64.7-43.6175.8-92-175.4173.7-179.30111.6D767 T768 H774 K775D767-K771 WeakPolarHBondContact OD1-CD 3.23Å; T768-K771 WeakPolarHBondContact O-CB 3.41Å; T768-K771 PolarHBondContact O-N 3.36Å; K771-H774 PolarHBondContact O-N 3.2Å; K771-K775 WeakPolarHBondContact O-CB 3.34Å; K771-K775 PolarHBondContact O-N 3.17Å
772K61.1Low57.3Low131 Ų131101.7 Ų101.757%0.5758%0.577SS**Hα-helixtrans-62.7-45.6174.5-80.7-178.3177.5173.50111.2T768 L769 H774 K775 L776T768-K772 PolarHBondContact O-N 2.89Å; L769-K772 PolarHBondContact O-N 3.33Å; K772-H774 PolarHBondContact O-N 2.87Å; K772-K775 PolarHBondContact O-N 3.09Å; K772-L776 VanDerWaalsContact O-CB 3.23Å; K772-L776 WeakPolarHBondContact O-CB 3.37Å; K772-L776 PolarHBondContact O-N 3.45Å
773L64.7Low59.7Low110 Ų110101.2 Ų101.258%0.57656%0.563SS**Hα-helixtrans-66.9-35.6179.9-142.8146.1000111.7L769 V770 A777L769-L773 HydrophobicContact CD2-CD1 3.66Å; L769-L773 VanDerWaalsContact O-CB 3.31Å; L769-L773 WeakPolarHBondContact O-CB 3.39Å; L769-L773 PolarHBondContact O-N 3.02Å; V770-L773 PolarHBondContact O-N 3.26Å; L773-A777 WeakPolarHBondContact O-CB 3.4Å; L773-A777 PolarHBondContact O-N 3.41Å
774H66.7Low62.1Low110 Ų11096.1 Ų96.151%0.50954%0.542SS..Hα-helixtrans-70.1-39.1172.6-173.2-79.6000112.7V770 K771 K772 N778V770-H774 WeakPolarHBondContact O-CB 3.36Å; V770-H774 PolarHBondContact O-N 3.28Å; K771-H774 PolarHBondContact O-N 3.2Å; K772-H774 PolarHBondContact O-N 2.87Å; H774-N778 PolarHBondContact CE1-ND2 2.96Å; H774-N778 WeakPolarHBondContact O-CB 3.35Å; H774-N778 PolarHBondContact O-N 3.02Å
775K72.9Confident64.7Low142 Ų14293 Ų9362%0.61751%0.507SS*.Hα-helixtrans-66.1-43.1174.1-174174.7-178.9176.70111.3K771 K772 N778 Q779K771-K775 WeakPolarHBondContact O-CB 3.34Å; K771-K775 PolarHBondContact O-N 3.17Å; K772-K775 PolarHBondContact O-N 3.09Å; K775-N778 PolarHBondContact O-N 3.27Å; K775-Q779 WeakPolarHBondContact O-CG 3.33Å; K775-Q779 PolarHBondContact O-N 3.15Å
776L68.3Low67Low106 Ų10692 Ų9256%0.55548%0.481SS*.Hα-helixtrans-67.9-42.6177.8-155.6160000110.5K772 Q779 T780K772-L776 VanDerWaalsContact O-CB 3.23Å; K772-L776 WeakPolarHBondContact O-CB 3.37Å; K772-L776 PolarHBondContact O-N 3.45Å; L776-Q779 PolarHBondContact O-N 3.12Å; L776-T780 HydrophobicContact CD2-CG2 3.86Å; L776-T780 WeakPolarHBondContact O-CG2 3.41Å; L776-T780 PolarHBondContact O-N 3.28Å; L776-T780 PolarHBondContact O-OG1 3.34Å
777A68.6Low69.3Low33 Ų3393.2 Ų93.227%0.27347%0.467SS..Hα-helixtrans-61.1-43172.500000112.4L773 Q779 T780 I781L773-A777 WeakPolarHBondContact O-CB 3.4Å; L773-A777 PolarHBondContact O-N 3.41Å; A777-Q779 VanDerWaalsContact C-N 3.33Å; A777-Q779 PolarHBondContact O-N 2.86Å; A777-T780 WeakPolarHBondContact CA-OG1 3.43Å; A777-T780 PolarHBondContact O-N 3Å; A777-T780 PolarHBondContact O-OG1 3.2Å; A777-T780 VanDerWaalsContact O-OG1 3.1Å; A777-I781 VanDerWaalsContact O-CB 3.23Å; A777-I781 WeakPolarHBondContact O-CB 3.39Å; A777-I781 WeakPolarHBondContact O-CD1 3.44Å; A777-I781 WeakPolarHBondContact O-CG1 3.49Å; A777-I781 PolarHBondContact O-N 2.96Å
778N74.6Confident71.3Confident80 Ų8090.9 Ų90.943%0.42845%0.452SS..Hα-helixtrans-63.8-39.5174.6-78.2-1.5000111.7H774 K775 E782H774-N778 PolarHBondContact CE1-ND2 2.96Å; H774-N778 WeakPolarHBondContact O-CB 3.35Å; H774-N778 PolarHBondContact O-N 3.02Å; K775-N778 PolarHBondContact O-N 3.27Å; N778-E782 PolarHBondContact O-N 3.49Å
779Q76.6Confident72.8Confident125 Ų12587.6 Ų87.658%0.58443%0.431SS*.Hα-helixtrans-67.3-40175.8-75.1178.7-3000112.7K775 L776 A777 L783K775-Q779 WeakPolarHBondContact O-CG 3.33Å; K775-Q779 PolarHBondContact O-N 3.15Å; L776-Q779 PolarHBondContact O-N 3.12Å; A777-Q779 VanDerWaalsContact C-N 3.33Å; A777-Q779 PolarHBondContact O-N 2.86Å; Q779-L783 WeakPolarHBondContact O-CB 3.13Å; Q779-L783 PolarHBondContact O-N 3.48Å
780T75.2Confident74.6Confident72 Ų7283 Ų8344%0.44241%0.408SS..Hα-helixtrans-73.1-35.3176.254.40000112.2L776 A777 L783 L784L776-T780 HydrophobicContact CD2-CG2 3.86Å; L776-T780 WeakPolarHBondContact O-CG2 3.41Å; L776-T780 PolarHBondContact O-N 3.28Å; L776-T780 PolarHBondContact O-OG1 3.34Å; A777-T780 WeakPolarHBondContact CA-OG1 3.43Å; A777-T780 PolarHBondContact O-N 3Å; A777-T780 PolarHBondContact O-OG1 3.2Å; A777-T780 VanDerWaalsContact O-OG1 3.1Å; T780-L783 PolarHBondContact O-N 2.81Å; T780-L784 WeakPolarHBondContact O-CB 3.32Å; T780-L784 PolarHBondContact O-N 3.19Å
781I79.4Confident76.4Confident72 Ų7280.3 Ų80.337%0.36939%0.388SS..Hα-helixtrans-60.8-49.5171.7-72.7164.9000109.9A777 L783 L784 W785A777-I781 VanDerWaalsContact O-CB 3.23Å; A777-I781 WeakPolarHBondContact O-CB 3.39Å; A777-I781 WeakPolarHBondContact O-CD1 3.44Å; A777-I781 WeakPolarHBondContact O-CG1 3.49Å; A777-I781 PolarHBondContact O-N 2.96Å; I781-L783 PolarHBondContact O-N 3.25Å; I781-L784 PolarHBondContact O-N 3.35Å; I781-W785 PolarHBondContact O-N 2.8Å
782E81Confident77.6Confident34 Ų3474.1 Ų74.116%0.15936%0.361CS..Hα-helixtrans-65.7-36.5176.8-68-52.3153.400113.1N778 L784 W785 R786 R916 Q917N778-E782 PolarHBondContact O-N 3.49Å; E782-L784 VanDerWaalsContact C-N 3.33Å; E782-L784 PolarHBondContact O-N 2.82Å; E782-W785 PolarHBondContact O-N 3.36Å; E782-R786 WeakPolarHBondContact O-CG 3.45Å; E782-R786 PolarHBondContact O-N 2.84Å; E782-R916 IonicContact OE1-CZ 3.87Å; E782-R916 IonicContact OE1-NH1 3.71Å; E782-R916 PolarHBondContact OE1-NH1 2.85Å; E782-R916 IonicContact OE1-NH2 2.78Å; E782-R916 PolarHBondContact OE1-NH2 3.3Å; E782-R916 IonicContact OE2-CZ 2.76Å; E782-R916 IonicContact OE2-NH1 2.89Å; E782-R916 PolarHBondContact OE2-NH1 3.45Å; E782-R916 IonicContact OE2-NH2 2.66Å; E782-Q917 PolarHBondContact OE2-NE2 3.18Å
783L79.8Confident78.7Confident65 Ų6569.1 Ų69.134%0.3434%0.343SS..Hα-helixtrans-62.1-41.1173-176.565.5000111.7Q779 T780 I781 R786 F787 V934 F935Q779-L783 WeakPolarHBondContact O-CB 3.13Å; Q779-L783 PolarHBondContact O-N 3.48Å; T780-L783 PolarHBondContact O-N 2.81Å; I781-L783 PolarHBondContact O-N 3.25Å; L783-R786 PolarHBondContact O-N 2.94Å; L783-F787 WeakPolarHBondContact O-CB 3.44Å; L783-F787 PolarHBondContact O-N 3.37Å; L783-V934 HydrophobicContact CD1-CG1 3.72Å; L783-F935 HydrophobicContact CD1-CD1 4.2Å; L783-F935 HydrophobicContact CD1-CE1 3.54Å; L783-F935 HydrophobicContact CD1-CZ 3.96Å; L783-F935 HydrophobicContact CD2-CE1 4.24Å; L783-F935 HydrophobicContact CD2-CZ 4.41Å
784L83.2Confident79.8Confident90 Ų9067.7 Ų67.747%0.47133%0.332SS..Hα-helixtrans-68.5-37.8178.2175.5140.1000111.8T780 I781 E782 F787 F788T780-L784 WeakPolarHBondContact O-CB 3.32Å; T780-L784 PolarHBondContact O-N 3.19Å; I781-L784 PolarHBondContact O-N 3.35Å; E782-L784 VanDerWaalsContact C-N 3.33Å; E782-L784 PolarHBondContact O-N 2.82Å; L784-F787 PolarHBondContact O-N 3.23Å; L784-F788 HydrophobicContact CD2-CD2 3.84Å; L784-F788 HydrophobicContact CD2-CE2 3.64Å; L784-F788 HydrophobicContact CG-CD2 4.13Å; L784-F788 HydrophobicContact CG-CE2 3.92Å; L784-F788 VanDerWaalsContact O-CD2 3.27Å; L784-F788 WeakPolarHBondContact O-CD2 3.29Å; L784-F788 PolarHBondContact O-N 3.21Å
785W85.9Confident80.8Confident47 Ų4765.3 Ų65.318%0.17832%0.323CS..Hα-helixtrans-68.3-34.6170.4-68.8109.4000113I781 E782 E789 F909 V913 R916I781-W785 PolarHBondContact O-N 2.8Å; E782-W785 PolarHBondContact O-N 3.36Å; W785-E789 WeakPolarHBondContact O-CB 2.99Å; W785-E789 PolarHBondContact O-N 2.99Å; W785-F909 HydrophobicContact CH2-CE2 4.28Å; W785-F909 HydrophobicContact CH2-CZ 4.4Å; W785-F909 HydrophobicContact CZ3-CE2 4.29Å; W785-F909 HydrophobicContact CZ3-CZ 4.11Å; W785-V913 HydrophobicContact CE3-CB 4.46Å; W785-V913 HydrophobicContact CE3-CG1 4.39Å; W785-V913 HydrophobicContact CE3-CG2 4.04Å; W785-V913 HydrophobicContact CZ3-CB 4.34Å; W785-V913 HydrophobicContact CZ3-CG2 3.71Å; W785-R916 VanDerWaalsContact CD1-NH1 3.27Å; W785-R916 VanDerWaalsContact CE2-CD 3.47Å
786R82.2Confident81.5Confident80 Ų8058.7 Ų58.730%0.30229%0.294SS..Hα-helixtrans-66.1-42.1172.3-74177.5-177.6-171.30.1111.8E782 L783 E789 V790E782-R786 WeakPolarHBondContact O-CG 3.45Å; E782-R786 PolarHBondContact O-N 2.84Å; L783-R786 PolarHBondContact O-N 2.94Å; R786-E789 WeakPolarHBondContact O-CB 3.49Å; R786-E789 PolarHBondContact O-N 2.73Å; R786-V790 WeakPolarHBondContact O-CG2 3.46Å; R786-V790 PolarHBondContact O-N 2.95Å; R786-V790 VanDerWaalsContact O-N 3.15Å
787F85.5Confident82.6Confident94 Ų9454.9 Ų54.941%0.41227%0.273SS..Hα-helixtrans-60.3-47.3173.8178.2-95.6000111.3L783 L784 E789 V790 H791L783-F787 WeakPolarHBondContact O-CB 3.44Å; L783-F787 PolarHBondContact O-N 3.37Å; L784-F787 PolarHBondContact O-N 3.23Å; F787-E789 VanDerWaalsContact C-N 3.32Å; F787-E789 PolarHBondContact O-N 3.16Å; F787-V790 PolarHBondContact O-N 3.36Å; F787-H791 AromaticContact CD2-CD2 3.72Å; F787-H791 AromaticContact CE2-CD2 3.53Å; F787-H791 AromaticContact CE2-NE2 3.76Å; F787-H791 AromaticContact CZ-CD2 3.97Å; F787-H791 PolarHBondContact O-CD2 2.86Å; F787-H791 PolarHBondContact O-N 3.38Å
788F85.8Confident83.6Confident52 Ų5255 Ų5523%0.22827%0.27CS..Hα-helixtrans-60.2-40.6172.9-80.3-52.9000112L784 V790 H791 I792 I795 F909 V913L784-F788 HydrophobicContact CD2-CD2 3.84Å; L784-F788 HydrophobicContact CD2-CE2 3.64Å; L784-F788 HydrophobicContact CG-CD2 4.13Å; L784-F788 HydrophobicContact CG-CE2 3.92Å; L784-F788 VanDerWaalsContact O-CD2 3.27Å; L784-F788 WeakPolarHBondContact O-CD2 3.29Å; L784-F788 PolarHBondContact O-N 3.21Å; F788-V790 VanDerWaalsContact C-N 3.29Å; F788-V790 PolarHBondContact O-N 2.93Å; F788-H791 PolarHBondContact O-N 3.03Å; F788-I792 HydrophobicContact CD1-CD1 4.48Å; F788-I792 WeakPolarHBondContact O-CA 3.49Å; F788-I792 WeakPolarHBondContact O-CB 3.09Å; F788-I792 WeakPolarHBondContact O-CG2 3.31Å; F788-I792 PolarHBondContact O-N 3.29Å; F788-I795 HydrophobicContact CD1-CD1 4.21Å; F788-I795 HydrophobicContact CE1-CD1 4.26Å; F788-F909 HydrophobicContact CD1-CE1 4.46Å; F788-F909 HydrophobicContact CD2-CE1 4.44Å; F788-F909 HydrophobicContact CE1-CE1 4.48Å; F788-F909 HydrophobicContact CE2-CE1 4.44Å; F788-F909 HydrophobicContact CE2-CZ 4.46Å; F788-F909 HydrophobicContact CG-CE1 4.45Å; F788-F909 HydrophobicContact CZ-CE1 4.48Å; F788-V913 HydrophobicContact CB-CG1 4.14Å; F788-V913 HydrophobicContact CB-CG2 4.35Å
789E84.4Confident84.3Confident15 Ų1553.7 Ų53.77%0.0726%0.263CS..Hα-helixtrans-59.1-38.6178-169.8-178.2-179.400113.5W785 R786 F787 R921 R931W785-E789 WeakPolarHBondContact O-CB 2.99Å; W785-E789 PolarHBondContact O-N 2.99Å; R786-E789 WeakPolarHBondContact O-CB 3.49Å; R786-E789 PolarHBondContact O-N 2.73Å; F787-E789 VanDerWaalsContact C-N 3.32Å; F787-E789 PolarHBondContact O-N 3.16Å; E789-R921 IonicContact OE1-CZ 3.83Å; E789-R921 VanDerWaalsContact OE1-CZ 3.24Å; E789-R921 IonicContact OE1-NH1 3.71Å; E789-R921 PolarHBondContact OE1-NH1 3.31Å; E789-R921 IonicContact OE1-NH2 2.83Å; E789-R921 PolarHBondContact OE1-NH2 3.25Å; E789-R921 IonicContact OE2-CZ 2.68Å; E789-R921 IonicContact OE2-NH1 3.4Å; E789-R921 IonicContact OE2-NH2 3.72Å; E789-R921 PolarHBondContact OE2-NH2 3.43Å; E789-R931 HydrophobicContact CG-CG 4.46Å
790V81.8Confident85Confident35 Ų3547.9 Ų47.921%0.21224%0.236CC..Hα-helixtrans-75.5-33.2178.81770000112.4R786 F787 F788 V934R786-V790 WeakPolarHBondContact O-CG2 3.46Å; R786-V790 PolarHBondContact O-N 2.95Å; R786-V790 VanDerWaalsContact O-N 3.15Å; F787-V790 PolarHBondContact O-N 3.36Å; F788-V790 VanDerWaalsContact C-N 3.29Å; F788-V790 PolarHBondContact O-N 2.93Å; V790-V934 HydrophobicContact CG2-CG2 4.25Å
791H86.9Confident85.7Confident56 Ų5644.6 Ų44.626%0.25922%0.216SC..Hα-helixtrans-112.4-11.8-168.8-68.8-89000115.9F787 F788 S793 K794 I795F787-H791 AromaticContact CD2-CD2 3.72Å; F787-H791 AromaticContact CE2-CD2 3.53Å; F787-H791 AromaticContact CE2-NE2 3.76Å; F787-H791 AromaticContact CZ-CD2 3.97Å; F787-H791 PolarHBondContact O-CD2 2.86Å; F787-H791 PolarHBondContact O-N 3.38Å; F788-H791 PolarHBondContact O-N 3.03Å; H791-S793 PolarHBondContact O-N 3.38Å; H791-K794 WeakPolarHBondContact O-CB 3.31Å; H791-K794 PolarHBondContact O-N 2.95Å; H791-K794 VanDerWaalsContact O-N 3.1Å; H791-I795 HydrophobicContact CB-CD1 4.07Å; H791-I795 WeakPolarHBondContact O-CG1 3.48Å; H791-I795 PolarHBondContact O-N 3.38Å
792I85.6Confident86.3Confident7 Ų744.5 Ų44.54%0.03622%0.216CC..Hα-helixtrans-60.9-38-169.6-171.559.8000113.7F788 I795 V796 F909 Q910F788-I792 HydrophobicContact CD1-CD1 4.48Å; F788-I792 WeakPolarHBondContact O-CA 3.49Å; F788-I792 WeakPolarHBondContact O-CB 3.09Å; F788-I792 WeakPolarHBondContact O-CG2 3.31Å; F788-I792 PolarHBondContact O-N 3.29Å; I792-I795 PolarHBondContact O-N 2.8Å; I792-V796 HydrophobicContact CD1-CG2 4.33Å; I792-V796 HydrophobicContact CG1-CG2 4.4Å; I792-V796 WeakPolarHBondContact O-CG2 3.47Å; I792-V796 PolarHBondContact O-N 2.96Å; I792-F909 HydrophobicContact CD1-CD1 3.97Å; I792-F909 HydrophobicContact CD1-CE1 4.38Å; I792-Q910 HydrophobicContact CG1-CB 3.99Å; I792-Q910 HydrophobicContact CG1-CG 4.12Å; I792-Q910 HydrophobicContact CG2-CG 4.24Å
793S83.5Confident86.7Confident26 Ų2643.9 Ų43.918%0.18221%0.212CC..Hα-helixtrans-62.7-43.7176.251.70000111.7H791 I795 V796 F797H791-S793 PolarHBondContact O-N 3.38Å; S793-I795 PolarHBondContact O-N 3.17Å; S793-V796 PolarHBondContact O-N 3.18Å; S793-F797 WeakPolarHBondContact O-CD2 3.45Å; S793-F797 WeakPolarHBondContact O-CG 3.24Å; S793-F797 PolarHBondContact O-N 3.39Å
794K87.3Confident87.2Confident81 Ų8140.8 Ų40.835%0.35220%0.196SC..Hα-helixtrans-63-41174.8-55.7179.3-176.8-1780111.8H791 F797 V798H791-K794 WeakPolarHBondContact O-CB 3.31Å; H791-K794 PolarHBondContact O-N 2.95Å; H791-K794 VanDerWaalsContact O-N 3.1Å; K794-F797 PolarHBondContact O-N 3.07Å; K794-V798 WeakPolarHBondContact O-CG2 3.46Å; K794-V798 PolarHBondContact O-N 3.34Å
795I88Confident87.4Confident59 Ų5936.6 Ų36.630%0.30317%0.174SC..Hα-helixtrans-64.2-44.7177.4-66.7165.4000110.6F788 H791 I792 S793 F797 V798 I799F788-I795 HydrophobicContact CD1-CD1 4.21Å; F788-I795 HydrophobicContact CE1-CD1 4.26Å; H791-I795 HydrophobicContact CB-CD1 4.07Å; H791-I795 WeakPolarHBondContact O-CG1 3.48Å; H791-I795 PolarHBondContact O-N 3.38Å; I792-I795 PolarHBondContact O-N 2.8Å; S793-I795 PolarHBondContact O-N 3.17Å; I795-F797 VanDerWaalsContact C-N 3.35Å; I795-F797 PolarHBondContact O-N 2.67Å; I795-V798 PolarHBondContact O-N 3.47Å; I795-I799 HydrophobicContact CG2-CD1 3.93Å; I795-I799 WeakPolarHBondContact O-CG1 3.5Å; I795-I799 PolarHBondContact O-N 3.44Å
796V88.7Confident87.5Confident4 Ų438.9 Ų38.92%0.02419%0.19CC..Hα-helixtrans-61.7-42.2175.3170.30000111.1I792 S793 I799 I800 A906 L907 Q910I792-V796 HydrophobicContact CD1-CG2 4.33Å; I792-V796 HydrophobicContact CG1-CG2 4.4Å; I792-V796 WeakPolarHBondContact O-CG2 3.47Å; I792-V796 PolarHBondContact O-N 2.96Å; S793-V796 PolarHBondContact O-N 3.18Å; V796-I799 PolarHBondContact O-N 3.14Å; V796-I800 HydrophobicContact CG1-CD1 3.72Å; V796-I800 VanDerWaalsContact O-CG1 3.31Å; V796-I800 WeakPolarHBondContact O-CG1 3.43Å; V796-I800 PolarHBondContact O-N 3.11Å; V796-A906 HydrophobicContact CG2-CB 4.34Å; V796-L907 HydrophobicContact CG1-CD2 3.83Å; V796-L907 HydrophobicContact CG1-CG 4.36Å; V796-Q910 HydrophobicContact CG2-CB 4.31Å
797F90Very high87.7Confident26 Ų2637.7 Ų37.711%0.11419%0.19CC..Hα-helixtrans-61.5-42.4174.6-63.5-23.2000112.8S793 K794 I795 I800 A801 L819 A822 I823 A829 F1073S793-F797 WeakPolarHBondContact O-CD2 3.45Å; S793-F797 WeakPolarHBondContact O-CG 3.24Å; S793-F797 PolarHBondContact O-N 3.39Å; K794-F797 PolarHBondContact O-N 3.07Å; I795-F797 VanDerWaalsContact C-N 3.35Å; I795-F797 PolarHBondContact O-N 2.67Å; F797-I800 PolarHBondContact O-N 3.3Å; F797-A801 VanDerWaalsContact O-CB 3.27Å; F797-A801 WeakPolarHBondContact O-CB 3.36Å; F797-A801 PolarHBondContact O-N 3.12Å; F797-L819 HydrophobicContact CB-CD1 3.81Å; F797-L819 HydrophobicContact CD1-CD1 3.78Å; F797-L819 HydrophobicContact CG-CD1 3.97Å; F797-A822 HydrophobicContact CE1-CB 3.76Å; F797-A822 HydrophobicContact CZ-CB 3.69Å; F797-I823 HydrophobicContact CD2-CG1 4.16Å; F797-I823 HydrophobicContact CE2-CG1 4.4Å; F797-A829 HydrophobicContact CE1-CB 4.43Å; F797-A829 HydrophobicContact CZ-CB 3.74Å; F797-F1073 HydrophobicContact CB-CZ 4.2Å
798V89.9Confident87.8Confident35 Ų3535.2 Ų35.221%0.21218%0.18CC..Hα-helixtrans-63.3-44175.9169.70000111.4K794 I795 I800 A801 I802 F1073 F1074 L1077K794-V798 WeakPolarHBondContact O-CG2 3.46Å; K794-V798 PolarHBondContact O-N 3.34Å; I795-V798 PolarHBondContact O-N 3.47Å; V798-I800 VanDerWaalsContact C-N 3.34Å; V798-I800 PolarHBondContact O-N 2.92Å; V798-A801 PolarHBondContact O-N 3.08Å; V798-I802 HydrophobicContact CG1-CD1 3.69Å; V798-I802 HydrophobicContact CG1-CG1 4.44Å; V798-I802 VanDerWaalsContact O-CG1 3.31Å; V798-I802 WeakPolarHBondContact O-CG1 3.3Å; V798-I802 PolarHBondContact O-N 3.41Å; V798-F1073 HydrophobicContact CG2-CE1 3.95Å; V798-F1073 HydrophobicContact CG2-CZ 4.47Å; V798-F1074 HydrophobicContact CG2-CE1 4.36Å; V798-L1077 HydrophobicContact CG2-CD2 4.41Å
799I90.8Very high87.8Confident52 Ų5234.7 Ų34.727%0.26718%0.18SC..Hα-helixtrans-60-45.6177.3-69.4165.8000110.7I795 V796 F803 V902 A906I795-I799 HydrophobicContact CG2-CD1 3.93Å; I795-I799 WeakPolarHBondContact O-CG1 3.5Å; I795-I799 PolarHBondContact O-N 3.44Å; V796-I799 PolarHBondContact O-N 3.14Å; I799-F803 WeakPolarHBondContact O-CB 3.3Å; I799-F803 PolarHBondContact O-N 3.39Å; I799-V902 HydrophobicContact CG2-CG1 4.29Å; I799-A906 HydrophobicContact CD1-CB 3.93Å
800I90.5Very high88Confident4 Ų434.5 Ų34.52%0.02118%0.181CC..Hα-helixtrans-68.1-41.2179.1-66.6169.1000110.9V796 F797 V798 I802 F803 I804 L815 L819 M837V796-I800 HydrophobicContact CG1-CD1 3.72Å; V796-I800 VanDerWaalsContact O-CG1 3.31Å; V796-I800 WeakPolarHBondContact O-CG1 3.43Å; V796-I800 PolarHBondContact O-N 3.11Å; F797-I800 PolarHBondContact O-N 3.3Å; V798-I800 VanDerWaalsContact C-N 3.34Å; V798-I800 PolarHBondContact O-N 2.92Å; I800-I802 PolarHBondContact O-N 3.46Å; I800-F803 PolarHBondContact O-N 3Å; I800-I804 HydrophobicContact CG2-CD1 3.68Å; I800-I804 HydrophobicContact CG2-CG1 4.31Å; I800-I804 VanDerWaalsContact O-CG1 3.25Å; I800-I804 WeakPolarHBondContact O-CG1 3.41Å; I800-I804 PolarHBondContact O-N 3.05Å; I800-L815 HydrophobicContact CG2-CD2 3.97Å; I800-L815 HydrophobicContact CG2-CG 4.16Å; I800-L819 HydrophobicContact CG2-CD2 4.34Å; I800-M837 HydrophobicContact CD1-CE 4.04Å; I800-M837 HydrophobicContact CG2-CE 3.89Å
801A90Very high88.3Confident3 Ų333.4 Ų33.43%0.02517%0.174CC..Hα-helixtrans-60.2-46.2177.200000112.3F797 V798 I804 A805 L819 F1073F797-A801 VanDerWaalsContact O-CB 3.27Å; F797-A801 WeakPolarHBondContact O-CB 3.36Å; F797-A801 PolarHBondContact O-N 3.12Å; V798-A801 PolarHBondContact O-N 3.08Å; A801-I804 PolarHBondContact O-N 3.4Å; A801-A805 VanDerWaalsContact O-CB 3.27Å; A801-A805 WeakPolarHBondContact O-CB 3.39Å; A801-A805 PolarHBondContact O-N 2.88Å; A801-L819 HydrophobicContact CB-CD2 3.96Å; A801-F1073 HydrophobicContact CB-CD1 3.98Å; A801-F1073 HydrophobicContact CB-CD2 3.64Å; A801-F1073 HydrophobicContact CB-CE1 3.88Å; A801-F1073 HydrophobicContact CB-CE2 3.5Å; A801-F1073 HydrophobicContact CB-CG 3.88Å; A801-F1073 HydrophobicContact CB-CZ 3.65Å
802I90.7Very high88.5Confident70 Ų7030.8 Ų30.836%0.35916%0.162SC..Hα-helixtrans-65.4-41.6177.1-66.7167000110.7V798 I800 I804 A805 N806V798-I802 HydrophobicContact CG1-CD1 3.69Å; V798-I802 HydrophobicContact CG1-CG1 4.44Å; V798-I802 VanDerWaalsContact O-CG1 3.31Å; V798-I802 WeakPolarHBondContact O-CG1 3.3Å; V798-I802 PolarHBondContact O-N 3.41Å; I800-I802 PolarHBondContact O-N 3.46Å; I802-I804 PolarHBondContact O-N 2.79Å; I802-A805 PolarHBondContact O-N 3.18Å; I802-N806 WeakPolarHBondContact O-CB 3.27Å; I802-N806 PolarHBondContact O-N 3.27Å; I802-N806 VanDerWaalsContact O-N 3.12Å
803F89.5Confident88.7Confident20 Ų2032.2 Ų32.29%0.08817%0.169CC..Hα-helixtrans-60.2-43.8176.6169.8-114000112.3I799 I800 N807 Y812 L815 L841 V900I799-F803 WeakPolarHBondContact O-CB 3.3Å; I799-F803 PolarHBondContact O-N 3.39Å; I800-F803 PolarHBondContact O-N 3Å; F803-N807 PolarHBondContact O-N 3.05Å; F803-N807 PolarHBondContact O-ND2 3.39Å; F803-Y812 AromaticContact CE1-CD1 3.99Å; F803-Y812 HydrophobicContact CE1-CD1 3.99Å; F803-Y812 AromaticContact CE1-CE1 3.54Å; F803-Y812 HydrophobicContact CE1-CE1 3.54Å; F803-Y812 HydrophobicContact CZ-CD1 4.42Å; F803-Y812 AromaticContact CZ-CE1 3.57Å; F803-Y812 HydrophobicContact CZ-CE1 3.57Å; F803-Y812 AromaticContact CZ-CZ 3.65Å; F803-Y812 WeakPolarHBondContact CZ-OH 3.39Å; F803-L815 HydrophobicContact CD1-CD2 4.31Å; F803-L815 HydrophobicContact CE1-CD2 4.28Å; F803-L841 HydrophobicContact CE1-CD2 4.21Å; F803-V900 HydrophobicContact CE2-CG2 4.28Å; F803-V900 HydrophobicContact CZ-CG2 3.73Å
804I90.9Very high89.1Confident0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-71.8-44.3178-59.2160.6000111.5I800 A801 I802 N806 N807 L815 V816 L819 F1020I800-I804 HydrophobicContact CG2-CD1 3.68Å; I800-I804 HydrophobicContact CG2-CG1 4.31Å; I800-I804 VanDerWaalsContact O-CG1 3.25Å; I800-I804 WeakPolarHBondContact O-CG1 3.41Å; I800-I804 PolarHBondContact O-N 3.05Å; A801-I804 PolarHBondContact O-N 3.4Å; I802-I804 PolarHBondContact O-N 2.79Å; I804-N806 PolarHBondContact O-N 2.93Å; I804-N807 CarbonylContact O-C 3.56Å; I804-N807 VanDerWaalsContact O-C 3.23Å; I804-N807 PolarHBondContact O-N 2.74Å; I804-N807 VanDerWaalsContact O-O 3.13Å; I804-L815 HydrophobicContact CD1-CB 3.89Å; I804-L815 HydrophobicContact CD1-CD2 3.87Å; I804-L815 HydrophobicContact CD1-CG 3.99Å; I804-L815 HydrophobicContact CG1-CB 4.37Å; I804-L815 HydrophobicContact CG1-CD2 3.8Å; I804-L815 HydrophobicContact CG1-CG 4.43Å; I804-V816 HydrophobicContact CD1-CG2 4.09Å; I804-V816 HydrophobicContact CG2-CG2 3.52Å; I804-L819 HydrophobicContact CD1-CD2 4.18Å; I804-F1020 HydrophobicContact CG2-CD2 4.22Å; I804-F1020 HydrophobicContact CG2-CE2 3.42Å; I804-F1020 VanDerWaalsContact CG2-CE2 3.42Å; I804-F1020 HydrophobicContact CG2-CZ 3.61Å
805A88.6Confident89.2Confident2 Ų229.6 Ų29.62%0.01716%0.16CC..Hα-helixtrans-61-29.6-17900000112.7A801 I802 S1066 L1069 I1070A801-A805 VanDerWaalsContact O-CB 3.27Å; A801-A805 WeakPolarHBondContact O-CB 3.39Å; A801-A805 PolarHBondContact O-N 2.88Å; I802-A805 PolarHBondContact O-N 3.18Å; A805-S1066 WeakPolarHBondContact O-CB 3.43Å; A805-L1069 HydrophobicContact CB-CB 4.22Å; A805-L1069 HydrophobicContact CB-CD1 4.45Å; A805-I1070 HydrophobicContact CB-CD1 4.24Å; A805-I1070 HydrophobicContact CB-CG1 3.89Å
806N87.9Confident89.4Confident95 Ų9527 Ų2751%0.50815%0.146SC..THydrogen-bonded Turntrans-85.7-7.6175.1-70.1-10.1000114.4I802 I804 S1066I802-N806 WeakPolarHBondContact O-CB 3.27Å; I802-N806 PolarHBondContact O-N 3.27Å; I802-N806 VanDerWaalsContact O-N 3.12Å; I804-N806 PolarHBondContact O-N 2.93Å; N806-S1066 WeakPolarHBondContact OD1-CB 3.2Å; N806-S1066 PolarHBondContact OD1-OG 3.43Å
807N86.1Confident89.5Confident55 Ų5530.1 Ų30.129%0.29416%0.162SC..  trans-134.178.7179-62.1-94.4000109.4F803 I804 N809 Y812F803-N807 PolarHBondContact O-N 3.05Å; F803-N807 PolarHBondContact O-ND2 3.39Å; I804-N807 CarbonylContact O-C 3.56Å; I804-N807 VanDerWaalsContact O-C 3.23Å; I804-N807 PolarHBondContact O-N 2.74Å; I804-N807 VanDerWaalsContact O-O 3.13Å; N807-N809 PolarHBondContact O-N 3.48Å; N807-Y812 HydrophobicContact CB-CD2 4.06Å; N807-Y812 HydrophobicContact CB-CE2 3.59Å; N807-Y812 WeakPolarHBondContact O-CD2 3.46Å
808I86.3Confident89.6Confident43 Ų4330.7 Ų30.722%0.22117%0.166CC..  trans-79.471.6-175.5-51.6177.1000109.8F1020 V1024 W1064 L1069I808-F1020 HydrophobicContact CB-CE2 4.41Å; I808-F1020 HydrophobicContact CG1-CE2 4.36Å; I808-F1020 HydrophobicContact CG2-CE2 4.08Å; I808-F1020 HydrophobicContact CG2-CZ 4.31Å; I808-V1024 HydrophobicContact CG2-CG2 3.7Å; I808-W1064 HydrophobicContact CD1-CB 4.4Å; I808-L1069 HydrophobicContact CD1-CD1 4.33Å
809N86.8Confident89.6Confident41 Ų4129.1 Ų29.122%0.21916%0.156CC..  trans-124.1151.4-175.5-53.125.1000110.5N807 L811 Y812 G883N807-N809 PolarHBondContact O-N 3.48Å; N809-L811 PolarHBondContact O-N 2.82Å; N809-L811 VanDerWaalsContact O-N 3.15Å; N809-Y812 HydrophobicContact CB-CD2 4.07Å; N809-Y812 HydrophobicContact CB-CE2 4.19Å; N809-Y812 PolarHBondContact O-N 3.4Å; N809-Y812 VanDerWaalsContact O-N 3.1Å; N809-G883 VanDerWaalsContact ND2-CA 3.31Å; N809-G883 WeakPolarHBondContact ND2-CA 3.26Å
810A87.7Confident89.6Confident10 Ų1027.1 Ų27.18%0.08315%0.147CC..G310 helixtrans-59.5-31.7-176.200000113.7Y812 I813 W881 F882 V1024A810-Y812 PolarHBondContact O-N 2.68Å; A810-I813 HydrophobicContact CB-CD1 4.15Å; A810-I813 WeakPolarHBondContact O-CB 3.11Å; A810-I813 WeakPolarHBondContact O-CG1 3.38Å; A810-I813 PolarHBondContact O-N 3.21Å; A810-I813 VanDerWaalsContact O-N 3.13Å; A810-W881 HydrophobicContact CB-CD2 4.36Å; A810-W881 HydrophobicContact CB-CE3 4.09Å; A810-W881 HydrophobicContact CB-CH2 3.82Å; A810-W881 HydrophobicContact CB-CZ2 4.1Å; A810-W881 HydrophobicContact CB-CZ3 3.81Å; A810-W881 PolarHBondContact N-O 3.11Å; A810-F882 HydrophobicContact CB-CD2 4.34Å; A810-V1024 HydrophobicContact CB-CG1 4.48Å
811L88.5Confident89.5Confident12 Ų1230.5 Ų30.56%0.06317%0.165CC..G310 helixtrans-55.8-23.7176.9-168.667.9000114.2N809 Y840 V844 F882N809-L811 PolarHBondContact O-N 2.82Å; N809-L811 VanDerWaalsContact O-N 3.15Å; L811-Y840 WeakPolarHBondContact O-CE1 3.44Å; L811-Y840 PolarHBondContact O-OH 3.05Å; L811-V844 HydrophobicContact CD1-CG2 4.23Å; L811-V844 HydrophobicContact CD2-CB 4.43Å; L811-V844 HydrophobicContact CD2-CG1 3.74Å; L811-V844 HydrophobicContact CD2-CG2 3.92Å; L811-V844 HydrophobicContact CG-CG2 4.03Å; L811-F882 VanDerWaalsContact CB-O 3.27Å; L811-F882 WeakPolarHBondContact CB-O 3.44Å; L811-F882 HydrophobicContact CD1-CE1 3.83Å; L811-F882 HydrophobicContact CD1-CZ 4.07Å; L811-F882 PolarHBondContact N-O 2.8Å; L811-F882 VanDerWaalsContact N-O 3.1Å
812Y91.7Very high89.4Confident2 Ų230.5 Ų30.51%0.00817%0.165CC..G310 helixtrans-97.8-1.4-177.9-54.4-63.7000114.4F803 N807 N809 A810 L815 V816F803-Y812 AromaticContact CE1-CD1 3.99Å; F803-Y812 HydrophobicContact CE1-CD1 3.99Å; F803-Y812 AromaticContact CE1-CE1 3.54Å; F803-Y812 HydrophobicContact CE1-CE1 3.54Å; F803-Y812 HydrophobicContact CZ-CD1 4.42Å; F803-Y812 AromaticContact CZ-CE1 3.57Å; F803-Y812 HydrophobicContact CZ-CE1 3.57Å; F803-Y812 AromaticContact CZ-CZ 3.65Å; F803-Y812 WeakPolarHBondContact CZ-OH 3.39Å; N807-Y812 HydrophobicContact CB-CD2 4.06Å; N807-Y812 HydrophobicContact CB-CE2 3.59Å; N807-Y812 WeakPolarHBondContact O-CD2 3.46Å; N809-Y812 HydrophobicContact CB-CD2 4.07Å; N809-Y812 HydrophobicContact CB-CE2 4.19Å; N809-Y812 PolarHBondContact O-N 3.4Å; N809-Y812 VanDerWaalsContact O-N 3.1Å; A810-Y812 PolarHBondContact O-N 2.68Å; Y812-L815 HydrophobicContact CD1-CD2 4.26Å; Y812-L815 WeakPolarHBondContact O-CA 3.41Å; Y812-L815 WeakPolarHBondContact O-CB 3.28Å; Y812-L815 PolarHBondContact O-N 3.06Å; Y812-V816 PolarHBondContact O-N 3.45Å; Y812-V816 VanDerWaalsContact O-N 3.07Å
813I89.9Confident89.3Confident37 Ų3727.9 Ų27.919%0.1915%0.151CC..Hα-helixtrans-51.8-47.1175-70.5168000112.3A810 L815 V816 I817 F1020 F1021A810-I813 HydrophobicContact CB-CD1 4.15Å; A810-I813 WeakPolarHBondContact O-CB 3.11Å; A810-I813 WeakPolarHBondContact O-CG1 3.38Å; A810-I813 PolarHBondContact O-N 3.21Å; A810-I813 VanDerWaalsContact O-N 3.13Å; I813-L815 PolarHBondContact O-N 2.62Å; I813-V816 PolarHBondContact O-N 3.44Å; I813-I817 HydrophobicContact CG2-CD1 4.02Å; I813-I817 WeakPolarHBondContact O-CG1 3.32Å; I813-I817 PolarHBondContact O-N 3.46Å; I813-F1020 HydrophobicContact CG1-CD1 4.36Å; I813-F1020 HydrophobicContact CG1-CE1 4Å; I813-F1021 HydrophobicContact CB-CE1 4.45Å; I813-F1021 HydrophobicContact CD1-CD1 4.26Å; I813-F1021 HydrophobicContact CD1-CE1 4.01Å; I813-F1021 HydrophobicContact CG1-CE1 4.15Å; I813-F1021 HydrophobicContact CG2-CE1 3.48Å; I813-F1021 VanDerWaalsContact CG2-CE1 3.48Å; I813-F1021 HydrophobicContact CG2-CZ 3.75Å
814P90.7Very high89.1Confident52 Ų5229.8 Ų29.834%0.33817%0.166SC..Hα-helixtrans-61.2-31.4176.1-2335000112.8L818P814-L818 WeakPolarHBondContact O-CB 2.98Å; P814-L818 VanDerWaalsContact O-CG 3.26Å; P814-L818 WeakPolarHBondContact O-CG 3.19Å; P814-L818 PolarHBondContact O-N 3.16Å
815L90.8Very high88.7Confident0 Ų034 Ų340%019%0.189CC..Hα-helixtrans-70-39.2179.5-143.772.8000111.3I800 F803 I804 Y812 I813 L819 M837 Y840 L841I800-L815 HydrophobicContact CG2-CD2 3.97Å; I800-L815 HydrophobicContact CG2-CG 4.16Å; F803-L815 HydrophobicContact CD1-CD2 4.31Å; F803-L815 HydrophobicContact CE1-CD2 4.28Å; I804-L815 HydrophobicContact CD1-CB 3.89Å; I804-L815 HydrophobicContact CD1-CD2 3.87Å; I804-L815 HydrophobicContact CD1-CG 3.99Å; I804-L815 HydrophobicContact CG1-CB 4.37Å; I804-L815 HydrophobicContact CG1-CD2 3.8Å; I804-L815 HydrophobicContact CG1-CG 4.43Å; Y812-L815 HydrophobicContact CD1-CD2 4.26Å; Y812-L815 WeakPolarHBondContact O-CA 3.41Å; Y812-L815 WeakPolarHBondContact O-CB 3.28Å; Y812-L815 PolarHBondContact O-N 3.06Å; I813-L815 PolarHBondContact O-N 2.62Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3Å; L815-M837 HydrophobicContact CD1-CE 3.61Å; L815-M837 HydrophobicContact CD1-SD 3.42Å; L815-M837 WeakPolarHBondContact CD1-SD 3.44Å; L815-M837 HydrophobicContact CG-CE 3.63Å; L815-M837 HydrophobicContact CG-SD 4.05Å; L815-Y840 HydrophobicContact CD1-CD1 4.21Å; L815-L841 HydrophobicContact CD2-CD2 4.29Å
816V92Very high88.2Confident3 Ų338.4 Ų38.42%0.01822%0.217CC..Hα-helixtrans-65.8-43.3174.7-179.50000111.8I804 Y812 I813 L819 S820 Y1016 P1017 F1020I804-V816 HydrophobicContact CD1-CG2 4.09Å; I804-V816 HydrophobicContact CG2-CG2 3.52Å; Y812-V816 PolarHBondContact O-N 3.45Å; Y812-V816 VanDerWaalsContact O-N 3.07Å; I813-V816 PolarHBondContact O-N 3.44Å; V816-L819 PolarHBondContact O-N 3.46Å; V816-S820 WeakPolarHBondContact O-CB 3.28Å; V816-S820 PolarHBondContact O-N 3.43Å; V816-S820 PolarHBondContact O-OG 2.72Å; V816-Y1016 HydrophobicContact CG1-CD1 4.22Å; V816-Y1016 HydrophobicContact CG1-CE1 3.94Å; V816-P1017 HydrophobicContact CG1-CB 4.17Å; V816-F1020 HydrophobicContact CG1-CB 4.44Å; V816-F1020 HydrophobicContact CG2-CD1 3.82Å; V816-F1020 HydrophobicContact CG2-CD2 4.17Å; V816-F1020 HydrophobicContact CG2-CE1 3.92Å; V816-F1020 HydrophobicContact CG2-CE2 4.27Å; V816-F1020 HydrophobicContact CG2-CG 3.95Å; V816-F1020 HydrophobicContact CG2-CZ 4.15Å
817I91.2Very high87.8Confident70 Ų7039.4 Ų39.436%0.35923%0.231SC..Hα-helixtrans-64.9-47.2178.4-63.1168.1000109.9I813 L819 S820 L821 F1021I813-I817 HydrophobicContact CG2-CD1 4.02Å; I813-I817 WeakPolarHBondContact O-CG1 3.32Å; I813-I817 PolarHBondContact O-N 3.46Å; I817-L819 VanDerWaalsContact C-N 3.31Å; I817-L819 PolarHBondContact O-N 3.43Å; I817-S820 PolarHBondContact O-OG 2.9Å; I817-L821 HydrophobicContact CG2-CD1 3.92Å; I817-L821 WeakPolarHBondContact O-CB 3.44Å; I817-L821 VanDerWaalsContact O-CG 3.24Å; I817-L821 WeakPolarHBondContact O-CG 3.39Å; I817-L821 PolarHBondContact O-N 3.3Å; I817-F1021 HydrophobicContact CD1-CZ 4.31Å
818L90.7Very high87.6Confident39 Ų3938.3 Ų38.320%0.20423%0.23CC..Hα-helixtrans-63.8-35.2176.3-72.4170.9000112.5P814 A822 F833 M837P814-L818 WeakPolarHBondContact O-CB 2.98Å; P814-L818 VanDerWaalsContact O-CG 3.26Å; P814-L818 WeakPolarHBondContact O-CG 3.19Å; P814-L818 PolarHBondContact O-N 3.16Å; L818-A822 WeakPolarHBondContact O-CB 3.32Å; L818-A822 PolarHBondContact O-N 2.66Å; L818-F833 HydrophobicContact CD2-CD1 3.9Å; L818-F833 HydrophobicContact CD2-CE1 4.18Å; L818-M837 HydrophobicContact CB-CE 4.33Å; L818-M837 HydrophobicContact CB-SD 3.45Å; L818-M837 WeakPolarHBondContact CB-SD 3.49Å; L818-M837 HydrophobicContact CD1-SD 3.63Å; L818-M837 HydrophobicContact CG-SD 4.19Å
819L91.1Very high87.3Confident1 Ų136.5 Ų36.51%0.00522%0.221CC..Hα-helixtrans-68.1-49.8177.1-179.763.9000112.4F797 I800 A801 I804 L815 V816 I817 L821 A822 I823 F1073F797-L819 HydrophobicContact CB-CD1 3.81Å; F797-L819 HydrophobicContact CD1-CD1 3.78Å; F797-L819 HydrophobicContact CG-CD1 3.97Å; I800-L819 HydrophobicContact CG2-CD2 4.34Å; A801-L819 HydrophobicContact CB-CD2 3.96Å; I804-L819 HydrophobicContact CD1-CD2 4.18Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3Å; V816-L819 PolarHBondContact O-N 3.46Å; I817-L819 VanDerWaalsContact C-N 3.31Å; I817-L819 PolarHBondContact O-N 3.43Å; L819-L821 VanDerWaalsContact C-N 3.35Å; L819-L821 PolarHBondContact O-N 3.28Å; L819-A822 PolarHBondContact O-N 2.75Å; L819-A822 VanDerWaalsContact O-N 3.16Å; L819-I823 HydrophobicContact CG-CD1 4.43Å; L819-I823 WeakPolarHBondContact O-CG1 3.33Å; L819-I823 PolarHBondContact O-N 2.99Å; L819-F1073 HydrophobicContact CD1-CE2 4.35Å; L819-F1073 HydrophobicContact CD2-CD2 4.4Å; L819-F1073 HydrophobicContact CD2-CE2 3.95Å; L819-F1073 HydrophobicContact CG-CE2 4.23Å
820S90.3Very high86.7Confident10 Ų1036.4 Ų36.47%0.0722%0.221CC..Hα-helixtrans-61.9-41.1177.851.60000112V816 I817 I823 C824V816-S820 WeakPolarHBondContact O-CB 3.28Å; V816-S820 PolarHBondContact O-N 3.43Å; V816-S820 PolarHBondContact O-OG 2.72Å; I817-S820 PolarHBondContact O-OG 2.9Å; S820-I823 PolarHBondContact O-N 3.02Å; S820-C824 PolarHBondContact O-N 2.81Å; S820-C824 PolarHBondContact O-SG 3.25Å
821L88.8Confident86.3Confident76 Ų7638 Ų3840%0.39824%0.238SC..Hα-helixtrans-63.9-40.6171.8-70174000112.6I817 L819 I823 C824 L825I817-L821 HydrophobicContact CG2-CD1 3.92Å; I817-L821 WeakPolarHBondContact O-CB 3.44Å; I817-L821 VanDerWaalsContact O-CG 3.24Å; I817-L821 WeakPolarHBondContact O-CG 3.39Å; I817-L821 PolarHBondContact O-N 3.3Å; L819-L821 VanDerWaalsContact C-N 3.35Å; L819-L821 PolarHBondContact O-N 3.28Å; L821-I823 VanDerWaalsContact C-N 3.34Å; L821-I823 PolarHBondContact O-N 3.3Å; L821-C824 PolarHBondContact O-N 3.05Å; L821-L825 WeakPolarHBondContact O-CB 3.38Å; L821-L825 PolarHBondContact O-N 2.94Å
822A87.7Confident86.1Confident3 Ų342.5 Ų42.53%0.02526%0.261CS..Hα-helixtrans-67.5-30.4179.600000113.5F797 L818 L819 L825 A829 F833F797-A822 HydrophobicContact CE1-CB 3.76Å; F797-A822 HydrophobicContact CZ-CB 3.69Å; L818-A822 WeakPolarHBondContact O-CB 3.32Å; L818-A822 PolarHBondContact O-N 2.66Å; L819-A822 PolarHBondContact O-N 2.75Å; L819-A822 VanDerWaalsContact O-N 3.16Å; A822-L825 CarbonylContact O-C 3.56Å; A822-A829 HydrophobicContact CB-CB 4.29Å; A822-F833 HydrophobicContact CB-CD2 4.15Å
823I88.1Confident85.9Confident14 Ų1444.3 Ų44.37%0.07227%0.269CS..Hα-helixtrans-70.3-41.7172.2-63.8166.3000110.7F797 L819 S820 L821 F1073 S1080F797-I823 HydrophobicContact CD2-CG1 4.16Å; F797-I823 HydrophobicContact CE2-CG1 4.4Å; L819-I823 HydrophobicContact CG-CD1 4.43Å; L819-I823 WeakPolarHBondContact O-CG1 3.33Å; L819-I823 PolarHBondContact O-N 2.99Å; S820-I823 PolarHBondContact O-N 3.02Å; L821-I823 VanDerWaalsContact C-N 3.34Å; L821-I823 PolarHBondContact O-N 3.3Å; I823-F1073 HydrophobicContact CD1-CD2 4.13Å; I823-F1073 HydrophobicContact CD1-CE2 3.53Å; I823-F1073 HydrophobicContact CD1-CZ 4.23Å; I823-S1080 WeakPolarHBondContact CG2-OG 3.38Å
824C85.4Confident85.7Confident60 Ų6043.1 Ų43.141%0.40526%0.264SS..Hα-helixtrans-71.8-30.2178.5-63.60000113S820 L821 P826S820-C824 PolarHBondContact O-N 2.81Å; S820-C824 PolarHBondContact O-SG 3.25Å; L821-C824 PolarHBondContact O-N 3.05Å; C824-P826 WeakPolarHBondContact O-CD 3.4Å
825L83.3Confident85.5Confident90 Ų9044.4 Ų44.447%0.47127%0.268SS..  trans-123.469.9-174.7-60.9175.5000112.2L821 A822 S827 A828L821-L825 WeakPolarHBondContact O-CB 3.38Å; L821-L825 PolarHBondContact O-N 2.94Å; A822-L825 CarbonylContact O-C 3.56Å; L825-S827 PolarHBondContact O-N 2.96Å; L825-A828 PolarHBondContact O-N 3.46Å
826P77.8Confident85.4Confident94 Ų9450 Ų5061%0.6129%0.292SS*.Hα-helixtrans-65-13.5-172.425.4-35.8000115.2C824C824-P826 WeakPolarHBondContact O-CD 3.4Å
827S78.1Confident85.3Confident115 Ų11550.3 Ų50.380%0.80429%0.294SS*.Hα-helixtrans-75.1-31.7177.851.30000113.8L825L825-S827 PolarHBondContact O-N 2.96Å
828A83.2Confident85.2Confident32 Ų3247.4 Ų47.426%0.26428%0.279SS..Hα-helixtrans-91.2-17-178.500000113.3L825 G831 I832 F833L825-A828 PolarHBondContact O-N 3.46Å; A828-G831 PolarHBondContact O-N 3.04Å; A828-I832 PolarHBondContact O-N 2.77Å; A828-F833 HydrophobicContact CB-CD2 3.89Å; A828-F833 HydrophobicContact CB-CE2 3.56Å; A828-F833 HydrophobicContact CB-CZ 4.21Å; A828-F833 PolarHBondContact O-N 2.99Å
829A78.6Confident85.1Confident5 Ų548.1 Ų48.14%0.04129%0.291CS..Iπ-helixtrans-55.6-54.1-176.200000114.5F797 A822 G831 S834F797-A829 HydrophobicContact CE1-CB 4.43Å; F797-A829 HydrophobicContact CZ-CB 3.74Å; A822-A829 HydrophobicContact CB-CB 4.29Å; A829-G831 PolarHBondContact O-N 3.46Å; A829-S834 WeakPolarHBondContact O-CB 3.47Å; A829-S834 PolarHBondContact O-N 2.92Å; A829-S834 VanDerWaalsContact O-N 3.12Å
830D75.4Confident85.1Confident40 Ų4051.2 Ų51.221%0.21430%0.303CS..Iπ-helixtrans-68.3-14.9-172.6-76-34.2000114.3S834 Q910 R931D830-S834 PolarHBondContact O-OG 3.01Å; D830-Q910 PolarHBondContact OD1-NE2 3.36Å; D830-R931 IonicContact OD2-CZ 4Å; D830-R931 IonicContact OD2-NH1 2.82Å; D830-R931 IonicContact OD2-NH2 2.71Å; D830-R931 PolarHBondContact OD2-NH2 2.62Å
831G78.8Confident85.1Confident43 Ų4350.7 Ų50.744%0.44330%0.3SS..Iπ-helixtrans-108.9-96.3-179.500000111.3A828 A829 S834 L835A828-G831 PolarHBondContact O-N 3.04Å; A829-G831 PolarHBondContact O-N 3.46Å; G831-S834 PolarHBondContact O-N 3.28Å; G831-S834 PolarHBondContact O-OG 3.45Å; G831-L835 PolarHBondContact O-N 3.12Å
832I84.9Confident85.1Confident107 Ų10747.6 Ų47.655%0.54928%0.283SS..Iπ-helixtrans-62-50-167-63.1170.1000111.5A828 S834 L835 F836A828-I832 PolarHBondContact O-N 2.77Å; I832-S834 PolarHBondContact O-N 3.3Å; I832-L835 PolarHBondContact O-N 3.09Å; I832-F836 HydrophobicContact CG2-CD2 3.66Å; I832-F836 HydrophobicContact CG2-CE2 3.24Å; I832-F836 HydrophobicContact CG2-CZ 3.97Å; I832-F836 PolarHBondContact O-N 3.47Å
833F87.6Confident85.2Confident39 Ų3952.7 Ų52.717%0.17131%0.309CS..Iπ-helixtrans-63.7-44.3-179.2-61.9-39.8000111.4L818 A822 A828 L835 F836 M837L818-F833 HydrophobicContact CD2-CD1 3.9Å; L818-F833 HydrophobicContact CD2-CE1 4.18Å; A822-F833 HydrophobicContact CB-CD2 4.15Å; A828-F833 HydrophobicContact CB-CD2 3.89Å; A828-F833 HydrophobicContact CB-CE2 3.56Å; A828-F833 HydrophobicContact CB-CZ 4.21Å; A828-F833 PolarHBondContact O-N 2.99Å; F833-L835 PolarHBondContact O-N 2.98Å; F833-F836 PolarHBondContact O-N 2.96Å; F833-M837 WeakPolarHBondContact O-CB 3.5Å; F833-M837 WeakPolarHBondContact O-CG 3.35Å; F833-M837 PolarHBondContact O-N 3.34Å
834S85.9Confident85.2Confident12 Ų1252 Ų528%0.08431%0.306CS..Hα-helixtrans-58.4-32.5176.584.20000113.7A829 D830 G831 I832 C838A829-S834 WeakPolarHBondContact O-CB 3.47Å; A829-S834 PolarHBondContact O-N 2.92Å; A829-S834 VanDerWaalsContact O-N 3.12Å; D830-S834 PolarHBondContact O-OG 3.01Å; G831-S834 PolarHBondContact O-N 3.28Å; G831-S834 PolarHBondContact O-OG 3.45Å; I832-S834 PolarHBondContact O-N 3.3Å; S834-C838 VanDerWaalsContact O-CB 3.29Å; S834-C838 WeakPolarHBondContact O-CB 3.48Å; S834-C838 PolarHBondContact O-N 3Å; S834-C838 VanDerWaalsContact O-N 3.15Å
835L86.4Confident85.3Confident80 Ų8049.2 Ų49.242%0.41929%0.287SS..Hα-helixtrans-74.9-44.5178-178.3142.4000111.6G831 I832 F833 C838 A839G831-L835 PolarHBondContact O-N 3.12Å; I832-L835 PolarHBondContact O-N 3.09Å; F833-L835 PolarHBondContact O-N 2.98Å; L835-C838 PolarHBondContact O-N 3.33Å; L835-A839 WeakPolarHBondContact O-CB 3.5Å; L835-A839 PolarHBondContact O-N 3.44Å
836F89.2Confident85.5Confident116 Ų11647.7 Ų47.751%0.50928%0.279SS..Hα-helixtrans-64.2-41.9175.7-68.5-37.5000112.3I832 F833 C838 A839 Y840I832-F836 HydrophobicContact CG2-CD2 3.66Å; I832-F836 HydrophobicContact CG2-CE2 3.24Å; I832-F836 HydrophobicContact CG2-CZ 3.97Å; I832-F836 PolarHBondContact O-N 3.47Å; F833-F836 PolarHBondContact O-N 2.96Å; F836-C838 VanDerWaalsContact C-N 3.32Å; F836-C838 PolarHBondContact O-N 2.9Å; F836-A839 PolarHBondContact O-N 3.48Å; F836-Y840 VanDerWaalsContact O-CB 3.28Å; F836-Y840 WeakPolarHBondContact O-CB 2.87Å; F836-Y840 PolarHBondContact O-N 3.21Å
837M89.7Confident86Confident11 Ų1145.2 Ų45.25%0.05426%0.264CS..Hα-helixtrans-59.7-43.6174.3-60.4-74.6-89.900110.9I800 L815 L818 F833 L841 L907I800-M837 HydrophobicContact CD1-CE 4.04Å; I800-M837 HydrophobicContact CG2-CE 3.89Å; L815-M837 HydrophobicContact CD1-CE 3.61Å; L815-M837 HydrophobicContact CD1-SD 3.42Å; L815-M837 WeakPolarHBondContact CD1-SD 3.44Å; L815-M837 HydrophobicContact CG-CE 3.63Å; L815-M837 HydrophobicContact CG-SD 4.05Å; L818-M837 HydrophobicContact CB-CE 4.33Å; L818-M837 HydrophobicContact CB-SD 3.45Å; L818-M837 WeakPolarHBondContact CB-SD 3.49Å; L818-M837 HydrophobicContact CD1-SD 3.63Å; L818-M837 HydrophobicContact CG-SD 4.19Å; F833-M837 WeakPolarHBondContact O-CB 3.5Å; F833-M837 WeakPolarHBondContact O-CG 3.35Å; F833-M837 PolarHBondContact O-N 3.34Å; M837-L841 WeakPolarHBondContact O-CB 3.12Å; M837-L841 WeakPolarHBondContact O-CD1 3.38Å; M837-L841 WeakPolarHBondContact O-CG 3.34Å; M837-L841 PolarHBondContact O-N 3.29Å; M837-L907 HydrophobicContact CB-CD1 4.37Å
838C88.9Confident86.4Confident8 Ų840.5 Ų40.55%0.05423%0.229CC..Hα-helixtrans-64.6-47.5178.3-161.90000112.3S834 L835 F836 L841 F842 L907S834-C838 VanDerWaalsContact O-CB 3.29Å; S834-C838 WeakPolarHBondContact O-CB 3.48Å; S834-C838 PolarHBondContact O-N 3Å; S834-C838 VanDerWaalsContact O-N 3.15Å; L835-C838 PolarHBondContact O-N 3.33Å; F836-C838 VanDerWaalsContact C-N 3.32Å; F836-C838 PolarHBondContact O-N 2.9Å; C838-L841 PolarHBondContact O-N 2.96Å; C838-F842 WeakPolarHBondContact O-CD2 3.26Å; C838-F842 PolarHBondContact O-N 2.95Å; C838-F842 VanDerWaalsContact SG-CE2 3.53Å; C838-L907 HydrophobicContact CB-CD1 3.97Å
839A88.2Confident86.5Confident54 Ų5439.2 Ų39.245%0.44622%0.217SC..Hα-helixtrans-64-40.5178.900000112.2L835 F836 F842 L843L835-A839 WeakPolarHBondContact O-CB 3.5Å; L835-A839 PolarHBondContact O-N 3.44Å; F836-A839 PolarHBondContact O-N 3.48Å; A839-F842 PolarHBondContact O-N 2.98Å; A839-L843 PolarHBondContact O-N 3.13Å; A839-L843 VanDerWaalsContact O-N 3.09Å
840Y91.4Very high86.9Confident66 Ų6643.2 Ų43.226%0.25924%0.237SC..Hα-helixtrans-64.7-44.4176.1-168.8-106.8000111.7L811 L815 F836 F842 L843 V844L811-Y840 WeakPolarHBondContact O-CE1 3.44Å; L811-Y840 PolarHBondContact O-OH 3.05Å; L815-Y840 HydrophobicContact CD1-CD1 4.21Å; F836-Y840 VanDerWaalsContact O-CB 3.28Å; F836-Y840 WeakPolarHBondContact O-CB 2.87Å; F836-Y840 PolarHBondContact O-N 3.21Å; Y840-F842 VanDerWaalsContact C-N 3.33Å; Y840-F842 PolarHBondContact O-N 2.98Å; Y840-L843 PolarHBondContact O-N 3.49Å; Y840-L843 VanDerWaalsContact O-N 3.15Å; Y840-V844 HydrophobicContact CD1-CG2 4.12Å; Y840-V844 HydrophobicContact CE1-CG2 3.86Å; Y840-V844 WeakPolarHBondContact O-CG2 3.38Å; Y840-V844 PolarHBondContact O-N 3.35Å
841L90.7Very high87.4Confident0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-62.4-35.6176.1-72.8168.8000112.9F803 L815 M837 C838 A845 V900 I904 L907F803-L841 HydrophobicContact CE1-CD2 4.21Å; L815-L841 HydrophobicContact CD2-CD2 4.29Å; M837-L841 WeakPolarHBondContact O-CB 3.12Å; M837-L841 WeakPolarHBondContact O-CD1 3.38Å; M837-L841 WeakPolarHBondContact O-CG 3.34Å; M837-L841 PolarHBondContact O-N 3.29Å; C838-L841 PolarHBondContact O-N 2.96Å; L841-A845 WeakPolarHBondContact O-CB 3.47Å; L841-A845 PolarHBondContact O-N 3.38Å; L841-V900 HydrophobicContact CB-CG1 4.1Å; L841-V900 HydrophobicContact CD2-CG1 4.14Å; L841-V900 WeakPolarHBondContact O-CG1 3.4Å; L841-I904 HydrophobicContact CB-CD1 4.29Å; L841-I904 HydrophobicContact CB-CG1 4Å; L841-L907 HydrophobicContact CD1-CD1 3.92Å
842F88.8Confident87.7Confident11 Ų1141.8 Ų41.85%0.04822%0.217CC..Hα-helixtrans-66.3-40.4172-76.2-57.1000112.8W628 A629 L632 I633 C838 A839 Y840 A845 L846 I904W628-F842 HydrophobicContact CZ3-CE1 4.47Å; A629-F842 HydrophobicContact CB-CD1 3.87Å; A629-F842 HydrophobicContact CB-CE1 3.83Å; L632-F842 HydrophobicContact CB-CZ 3.98Å; L632-F842 HydrophobicContact CD1-CZ 4.48Å; I633-F842 HydrophobicContact CD1-CD2 3.85Å; I633-F842 HydrophobicContact CD1-CE2 4.07Å; I633-F842 HydrophobicContact CD1-CG 4.31Å; I633-F842 HydrophobicContact CG1-CD2 3.73Å; I633-F842 HydrophobicContact CG1-CE2 3.45Å; I633-F842 VanDerWaalsContact CG1-CE2 3.45Å; I633-F842 HydrophobicContact CG1-CZ 4.07Å; C838-F842 WeakPolarHBondContact O-CD2 3.26Å; C838-F842 PolarHBondContact O-N 2.95Å; C838-F842 VanDerWaalsContact SG-CE2 3.53Å; A839-F842 PolarHBondContact O-N 2.98Å; Y840-F842 VanDerWaalsContact C-N 3.33Å; Y840-F842 PolarHBondContact O-N 2.98Å; F842-A845 PolarHBondContact O-N 3.41Å; F842-L846 PolarHBondContact O-N 2.89Å; F842-I904 HydrophobicContact CD1-CD1 3.72Å; F842-I904 HydrophobicContact CD1-CG1 4.45Å; F842-I904 HydrophobicContact CE1-CD1 3.77Å; F842-I904 HydrophobicContact CE1-CG1 4.26Å; F842-I904 HydrophobicContact CE1-CG2 3.67Å; F842-I904 HydrophobicContact CE2-CG2 4.4Å; F842-I904 HydrophobicContact CG-CD1 4.37Å; F842-I904 HydrophobicContact CZ-CD1 4.47Å; F842-I904 HydrophobicContact CZ-CG1 4.49Å; F842-I904 HydrophobicContact CZ-CG2 3.53Å
843L88.9Confident87.5Confident110 Ų11037.3 Ų37.358%0.57619%0.194SC*.Hα-helixtrans-63.7-44.7176.4-167.5157.8000110.6A839 Y840 A845 L846 S847A839-L843 PolarHBondContact O-N 3.13Å; A839-L843 VanDerWaalsContact O-N 3.09Å; Y840-L843 PolarHBondContact O-N 3.49Å; Y840-L843 VanDerWaalsContact O-N 3.15Å; L843-A845 PolarHBondContact O-N 2.95Å; L843-L846 PolarHBondContact O-N 3.32Å; L843-S847 WeakPolarHBondContact O-CB 3.48Å; L843-S847 PolarHBondContact O-N 3.44Å; L843-S847 PolarHBondContact O-OG 3.28Å
844V88.9Confident86.9Confident0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-58.5-43.2173.3167.50000111.9L811 Y840 S847 K848 V900L811-V844 HydrophobicContact CD1-CG2 4.23Å; L811-V844 HydrophobicContact CD2-CB 4.43Å; L811-V844 HydrophobicContact CD2-CG1 3.74Å; L811-V844 HydrophobicContact CD2-CG2 3.92Å; L811-V844 HydrophobicContact CG-CG2 4.03Å; Y840-V844 HydrophobicContact CD1-CG2 4.12Å; Y840-V844 HydrophobicContact CE1-CG2 3.86Å; Y840-V844 WeakPolarHBondContact O-CG2 3.38Å; Y840-V844 PolarHBondContact O-N 3.35Å; V844-S847 WeakPolarHBondContact CA-OG 3.31Å; V844-S847 PolarHBondContact O-OG 2.64Å; V844-K848 HydrophobicContact CG1-CD 4.41Å; V844-K848 WeakPolarHBondContact O-CB 3.46Å; V844-K848 WeakPolarHBondContact O-CG 3.38Å; V844-K848 PolarHBondContact O-N 3Å; V844-V900 HydrophobicContact CG1-CG2 4.46Å
845A87.1Confident86.4Confident1 Ų145.5 Ų45.51%0.00824%0.237CC..Hα-helixtrans-63.6-45.2177.800000112.2F625 L841 F842 L843 K848 M849 L897 V900F625-A845 HydrophobicContact CE1-CB 4.16Å; F625-A845 HydrophobicContact CZ-CB 4.16Å; L841-A845 WeakPolarHBondContact O-CB 3.47Å; L841-A845 PolarHBondContact O-N 3.38Å; F842-A845 PolarHBondContact O-N 3.41Å; L843-A845 PolarHBondContact O-N 2.95Å; A845-K848 PolarHBondContact O-N 3.39Å; A845-M849 PolarHBondContact O-N 2.92Å; A845-L897 HydrophobicContact CB-CD2 4.03Å; A845-V900 HydrophobicContact CB-CG1 4.05Å
846L87.3Confident85.9Confident58 Ų5843.3 Ų43.330%0.30423%0.228SC..Hα-helixtrans-67.7-42.5178.5-72.6171.1000112.2F625 F842 L843 K848 M849 I850F625-L846 HydrophobicContact CD1-CD2 4Å; F625-L846 HydrophobicContact CE1-CD2 4.28Å; F842-L846 PolarHBondContact O-N 2.89Å; L843-L846 PolarHBondContact O-N 3.32Å; L846-K848 VanDerWaalsContact C-N 3.27Å; L846-K848 PolarHBondContact O-N 3.28Å; L846-M849 PolarHBondContact O-N 3.4Å; L846-I850 WeakPolarHBondContact O-CB 3.37Å; L846-I850 VanDerWaalsContact O-CG1 3.27Å; L846-I850 WeakPolarHBondContact O-CG1 3.29Å; L846-I850 PolarHBondContact O-N 3.08Å
847S87.4Confident85.1Confident41 Ų4142.2 Ų42.229%0.28723%0.232SC..Hα-helixtrans-61.6-38.5176.364.40000111.6L843 V844 Y851L843-S847 WeakPolarHBondContact O-CB 3.48Å; L843-S847 PolarHBondContact O-N 3.44Å; L843-S847 PolarHBondContact O-OG 3.28Å; V844-S847 WeakPolarHBondContact CA-OG 3.31Å; V844-S847 PolarHBondContact O-OG 2.64Å; S847-Y851 WeakPolarHBondContact O-CB 3.29Å; S847-Y851 PolarHBondContact O-N 2.77Å; S847-Y851 VanDerWaalsContact O-N 3.13Å
848K87.6Confident84.1Confident16 Ų1645.4 Ų45.47%0.0725%0.247CC..Hα-helixtrans-64.1-44.9173.7-81-171.9166.7-164.40112.7V844 A845 L846 Y851 L884 M896 L897V844-K848 HydrophobicContact CG1-CD 4.41Å; V844-K848 WeakPolarHBondContact O-CB 3.46Å; V844-K848 WeakPolarHBondContact O-CG 3.38Å; V844-K848 PolarHBondContact O-N 3Å; A845-K848 PolarHBondContact O-N 3.39Å; L846-K848 VanDerWaalsContact C-N 3.27Å; L846-K848 PolarHBondContact O-N 3.28Å; K848-Y851 PolarHBondContact O-N 3.37Å; K848-L884 HydrophobicContact CG-CD2 4.31Å; K848-M896 HydrophobicContact CB-CE 3.82Å; K848-M896 HydrophobicContact CB-SD 3.84Å; K848-M896 HydrophobicContact CD-CE 3.84Å; K848-M896 HydrophobicContact CD-CG 4.44Å; K848-M896 HydrophobicContact CD-SD 4.15Å; K848-M896 HydrophobicContact CG-CE 3.71Å; K848-M896 HydrophobicContact CG-SD 4.25Å; K848-L897 HydrophobicContact CB-CD2 4.12Å
849M84.8Confident83.1Confident5 Ų549 Ų493%0.02527%0.265CS..Hα-helixtrans-66.6-38.7177.1-70.4-165.982.700113.4F625 A845 L846 Y851 Q852 L897F625-M849 HydrophobicContact CB-CE 4.43Å; F625-M849 HydrophobicContact CB-SD 3.99Å; F625-M849 HydrophobicContact CD1-SD 3.51Å; F625-M849 VanDerWaalsContact CD1-SD 3.51Å; F625-M849 HydrophobicContact CD2-SD 3.96Å; F625-M849 HydrophobicContact CE1-SD 3.9Å; F625-M849 HydrophobicContact CE2-SD 4.31Å; F625-M849 HydrophobicContact CG-CE 4.47Å; F625-M849 HydrophobicContact CG-SD 3.54Å; F625-M849 VanDerWaalsContact CG-SD 3.54Å; F625-M849 HydrophobicContact CZ-SD 4.29Å; A845-M849 PolarHBondContact O-N 2.92Å; L846-M849 PolarHBondContact O-N 3.4Å; M849-Y851 VanDerWaalsContact C-N 3.31Å; M849-Y851 PolarHBondContact O-N 2.89Å; M849-Q852 PolarHBondContact O-N 3.24Å; M849-L897 HydrophobicContact CG-CD1 3.73Å; M849-L897 HydrophobicContact SD-CD1 3.93Å
850I86.8Confident82Confident89 Ų8948.6 Ų48.646%0.45626%0.259SS..Hα-helixtrans-66.2-35.7179-68.5165.6000110.9L846 Q852 L853L846-I850 WeakPolarHBondContact O-CB 3.37Å; L846-I850 VanDerWaalsContact O-CG1 3.27Å; L846-I850 WeakPolarHBondContact O-CG1 3.29Å; L846-I850 PolarHBondContact O-N 3.08Å; I850-Q852 PolarHBondContact O-N 3.47Å; I850-L853 HydrophobicContact CG2-CD1 4.5Å; I850-L853 WeakPolarHBondContact O-CB 3.49Å; I850-L853 PolarHBondContact O-N 2.88Å
851Y86.2Confident80.7Confident23 Ų2352.5 Ų52.59%0.0928%0.28CS..Hα-helixtrans-66.7-20.5177.7-164.9-106.5000113.9S847 K848 M849 L853 V856 L859 L884 K886S847-Y851 WeakPolarHBondContact O-CB 3.29Å; S847-Y851 PolarHBondContact O-N 2.77Å; S847-Y851 VanDerWaalsContact O-N 3.13Å; K848-Y851 PolarHBondContact O-N 3.37Å; M849-Y851 VanDerWaalsContact C-N 3.31Å; M849-Y851 PolarHBondContact O-N 2.89Å; Y851-L853 VanDerWaalsContact C-N 3.34Å; Y851-V856 HydrophobicContact CD2-CG1 3.98Å; Y851-V856 HydrophobicContact CE2-CG1 4.04Å; Y851-L859 HydrophobicContact CE2-CD1 3.74Å; Y851-L884 HydrophobicContact CD1-CB 4.46Å; Y851-L884 HydrophobicContact CE1-CB 4.45Å; Y851-K886 HydrophobicContact CD1-CB 4.46Å; Y851-K886 HydrophobicContact CE1-CB 4.02Å
852Q84.9Confident79.4Confident30 Ų3057.9 Ų57.914%0.1431%0.307CS..THydrogen-bonded Turntrans-85.41176.6-56.7-61.2-8.200113.7P617 M849 I850 K885 E887 M896P617-Q852 HydrophobicContact CG-CB 3.91Å; M849-Q852 PolarHBondContact O-N 3.24Å; I850-Q852 PolarHBondContact O-N 3.47Å; Q852-K885 PolarHBondContact NE2-O 3.01Å; Q852-E887 VanDerWaalsContact OE1-N 3.11Å; Q852-M896 HydrophobicContact CG-SD 4.28Å; Q852-M896 PolarHBondContact NE2-SD 3.36Å; Q852-M896 VanDerWaalsContact NE2-SD 3.36Å
853L80.1Confident77.7Confident14 Ų1465 Ų657%0.07335%0.345CS..SBendtrans-69.7138.5172.8-77.1162.3000110.7P617 I622 I850 Y851 I855 V856 K886P617-L853 WeakPolarHBondContact O-CD2 3.48Å; I622-L853 HydrophobicContact CD1-CD1 4.02Å; I622-L853 HydrophobicContact CD1-CD2 3.98Å; I622-L853 HydrophobicContact CD1-CG 4.04Å; I850-L853 HydrophobicContact CG2-CD1 4.5Å; I850-L853 WeakPolarHBondContact O-CB 3.49Å; I850-L853 PolarHBondContact O-N 2.88Å; Y851-L853 VanDerWaalsContact C-N 3.34Å; L853-I855 HydrophobicContact CB-CG2 4.08Å; L853-I855 PolarHBondContact O-N 2.92Å; L853-I855 VanDerWaalsContact O-N 3.14Å; L853-V856 HydrophobicContact CB-CG2 4.38Å; L853-V856 PolarHBondContact O-N 3.46Å; L853-K886 PolarHBondContact O-NZ 3.46Å
854D75.4Confident76.1Confident135 Ų13565.4 Ų65.472%0.72234%0.34SS*.THydrogen-bonded Turntrans-59.7-28.4179.3-61.2-27.8000113V856D854-V856 PolarHBondContact O-N 3.14Å
855I76.5Confident74.5Confident87 Ų8768.2 Ų68.245%0.44637%0.368SS..THydrogen-bonded Turntrans-67.4-11.3178.1-149.9167.9000114.1W686 L853W686-I855 HydrophobicContact CD2-CD1 4.24Å; W686-I855 HydrophobicContact CH2-CD1 3.85Å; W686-I855 HydrophobicContact CZ2-CD1 3.43Å; W686-I855 VanDerWaalsContact CZ2-CD1 3.43Å; W686-I855 HydrophobicContact CZ3-CD1 4.4Å; L853-I855 HydrophobicContact CB-CG2 4.08Å; L853-I855 PolarHBondContact O-N 2.92Å; L853-I855 VanDerWaalsContact O-N 3.14Å
856V75.3Confident72.9Confident35 Ų3576 Ų7621%0.21242%0.415CS..SBendtrans-97.4115.8177.3-176.10000109.3Y851 L853 D854 K886Y851-V856 HydrophobicContact CD2-CG1 3.98Å; Y851-V856 HydrophobicContact CE2-CG1 4.04Å; L853-V856 HydrophobicContact CB-CG2 4.38Å; L853-V856 PolarHBondContact O-N 3.46Å; D854-V856 PolarHBondContact O-N 3.14Å; V856-K886 PolarHBondContact O-NZ 3.38Å
857P72.1Confident71.4Confident93 Ų9375.7 Ų75.760%0.60443%0.426SS*.  trans-67152.6178.628.9-35.1000111.3L859P857-L859 PolarHBondContact O-N 3.34Å; P857-L859 VanDerWaalsContact O-N 3.1Å
858E68.1Low69.8Low78 Ų7875 Ų7536%0.36442%0.423SS..  trans-74.5101.2-179.7-143.5-158.7145.200110.2S860 Q861 K886E858-S860 WeakPolarHBondContact CG-OG 3.41Å; E858-S860 PolarHBondContact O-N 2.97Å; E858-S860 PolarHBondContact OE1-OG 3.03Å; E858-Q861 HydrophobicContact CB-CG 4.27Å; E858-Q861 PolarHBondContact O-N 3.34Å; E858-Q861 PolarHBondContact OE2-NE2 3.48Å; E858-K886 HydrophobicContact CG-CB 4.14Å; E858-K886 HydrophobicContact CG-CD 4.37Å
859L69.2Low68.3Low84 Ų8481.9 Ų81.944%0.4446%0.46SS..G310 helixtrans-64.8-10.8-176.4-77.4103.2000114.3Y851 P857 Q861 I862 P879Y851-L859 HydrophobicContact CE2-CD1 3.74Å; P857-L859 PolarHBondContact O-N 3.34Å; P857-L859 VanDerWaalsContact O-N 3.1Å; L859-Q861 PolarHBondContact O-N 3.44Å; L859-I862 HydrophobicContact CB-CD1 4.36Å; L859-I862 HydrophobicContact CD2-CD1 4.25Å; L859-I862 HydrophobicContact CG-CD1 4.04Å; L859-P879 HydrophobicContact CB-CG 3.87Å
860S64.7Low67.1Low45 Ų4589.1 Ų89.132%0.31550%0.499SS..G310 helixtrans-65.4-24170.2510000113.4E858E858-S860 WeakPolarHBondContact CG-OG 3.41Å; E858-S860 PolarHBondContact O-N 2.97Å; E858-S860 PolarHBondContact OE1-OG 3.03Å
861Q64.8Low65.9Low148 Ų14886.9 Ų86.969%0.69249%0.491SS*.G310 helixtrans-96.20.5-174.9-57.8-172.615.300114E858 L859 D863E858-Q861 HydrophobicContact CB-CG 4.27Å; E858-Q861 PolarHBondContact O-N 3.34Å; E858-Q861 PolarHBondContact OE2-NE2 3.48Å; L859-Q861 PolarHBondContact O-N 3.44Å; Q861-D863 PolarHBondContact O-N 3.28Å
862I61.7Low64.6Low113 Ų11390.6 Ų90.658%0.57952%0.52SS*.SBendtrans-78.7123.4-179.3-60176.2000108.9L859 R864L859-I862 HydrophobicContact CB-CD1 4.36Å; L859-I862 HydrophobicContact CD2-CD1 4.25Å; L859-I862 HydrophobicContact CG-CD1 4.04Å; I862-R864 PolarHBondContact O-N 2.94Å
863D54.5Low63.5Low159 Ų15992 Ų9285%0.8553%0.527SS*.  trans-43120.4-167.6-99-31.2000114.9Q861 G865Q861-D863 PolarHBondContact O-N 3.28Å; D863-G865 PolarHBondContact O-N 3.43Å
864R55.2Low62.4Low120 Ų12093.4 Ų93.445%0.45355%0.545SS..  trans-67.5119165.4-66.6178.4169.4139.90108I862 A868 N875 D1029I862-R864 PolarHBondContact O-N 2.94Å; R864-A868 HydrophobicContact CB-CB 3.67Å; R864-N875 PolarHBondContact NH2-O 2.95Å; R864-D1029 IonicContact CZ-OD1 3.79Å; R864-D1029 IonicContact NE-OD1 3.62Å; R864-D1029 PolarHBondContact NE-OD1 2.96Å; R864-D1029 IonicContact NH2-OD1 3.71Å; R864-D1029 PolarHBondContact NH2-OD1 3.28Å
865G55.6Low61.7Low59 Ų5993.7 Ų93.761%0.60855%0.546SS*.  trans-57153.8-173.100000114.6D863 G867 A868D863-G865 PolarHBondContact O-N 3.43Å; G865-G867 PolarHBondContact O-N 3.41Å; G865-A868 PolarHBondContact O-N 3.33Å; G865-A868 VanDerWaalsContact O-N 3.16Å
866V52.5Low61.2Low164 Ų16492.8 Ų92.899%0.99454%0.542SS*.THydrogen-bonded Turntrans-51.1104.4-177.1-173.20000111.1
867G55.1Low61Low51 Ų5191.7 Ų91.753%0.52654%0.536SS..THydrogen-bonded Turntrans141.9-22.7-173.200000114.1G865 D869G865-G867 PolarHBondContact O-N 3.41Å; G867-D869 VanDerWaalsContact C-N 3.27Å; G867-D869 PolarHBondContact O-N 2.99Å
868A54.4Low61.2Low26 Ų2691.9 Ų91.922%0.21553%0.53CS..G310 helixtrans-64.8-24.5-179.500000114.6R864 G865 N870 C871R864-A868 HydrophobicContact CB-CB 3.67Å; G865-A868 PolarHBondContact O-N 3.33Å; G865-A868 VanDerWaalsContact O-N 3.16Å; A868-N870 PolarHBondContact O-N 3.17Å; A868-C871 VanDerWaalsContact O-CB 3.29Å; A868-C871 WeakPolarHBondContact O-CB 3.46Å; A868-C871 PolarHBondContact O-N 3.16Å; A868-C871 PolarHBondContact O-SG 3.01Å
869D57.3Low61.7Low161 Ų16189.4 Ų89.486%0.86152%0.52SS*.G310 helixtrans-64.2-24.3-176.3-59.1-31.1000114G867 C871G867-D869 VanDerWaalsContact C-N 3.27Å; G867-D869 PolarHBondContact O-N 2.99Å; D869-C871 VanDerWaalsContact C-N 3.29Å
870N58.8Low62.1Low158 Ų15888.6 Ų88.685%0.84551%0.514SS*.G310 helixtrans-82.7-3.9175.7-82.4-11.6000113.1A868 S872A868-N870 PolarHBondContact O-N 3.17Å; N870-S872 PolarHBondContact O-N 2.87Å
871C61.9Low62.9Low42 Ų4289.3 Ų89.328%0.28451%0.51SS..  trans-89.692.4-175.5-49.40000110.3A868 D869 H873 C1031A868-C871 VanDerWaalsContact O-CB 3.29Å; A868-C871 WeakPolarHBondContact O-CB 3.46Å; A868-C871 PolarHBondContact O-N 3.16Å; A868-C871 PolarHBondContact O-SG 3.01Å; D869-C871 VanDerWaalsContact C-N 3.29Å; C871-H873 PolarHBondContact O-N 2.84Å; C871-C1031 HydrophobicContact CB-CB 4.08Å; C871-C1031 WeakPolarHBondContact CB-SG 3.49Å; C871-C1031 WeakPolarHBondContact SG-CB 3.39Å; C871-C1031 CovalentContact SG-SG 2.03Å; C871-C1031 PolarHBondContact SG-SG 3.37Å
872S59.3Low63.9Low101 Ų10186.7 Ų86.771%0.70650%0.497SS*.  trans-651.9-179.556.70000115.5N870 G874N870-S872 PolarHBondContact O-N 2.87Å; S872-G874 PolarHBondContact O-N 3.43Å
873H60.1Low64.8Low59 Ų5981.7 Ų81.727%0.27347%0.473SS..SBendtrans-10251-158.9-63.9-53.8000114.2C871 E1033 Y1060C871-H873 PolarHBondContact O-N 2.84Å; H873-E1033 IonicContact CD2-OE1 2.8Å; H873-E1033 IonicContact CE1-OE1 3.11Å; H873-E1033 IonicContact NE2-OE1 2.73Å; H873-E1033 PolarHBondContact NE2-OE1 2.87Å; H873-Y1060 HydrophobicContact CB-CD2 3.9Å; H873-Y1060 HydrophobicContact CB-CG 3.89Å
874G57.8Low66.1Low44 Ų4475.9 Ų75.945%0.45444%0.442SS..  trans86.7152.9164.800000116.6S872 I876S872-G874 PolarHBondContact O-N 3.43Å; G874-I876 PolarHBondContact O-N 3.24Å
875N61.4Low67.2Low141 Ų14175 Ų7575%0.75444%0.441SS*.  trans-86.6-0.6-170.5-81.4-18.5000115.9R864 S877R864-N875 PolarHBondContact NH2-O 2.95Å; N875-S877 PolarHBondContact O-N 2.93Å
876I66.3Low68.2Low67 Ų6774.5 Ų74.534%0.34442%0.422SS..  trans-65126.2-171.9-55.8170.8000110G874 E880 W881 P1028G874-I876 PolarHBondContact O-N 3.24Å; I876-E880 HydrophobicContact CG2-CB 4.04Å; I876-E880 HydrophobicContact CG2-CG 4.11Å; I876-W881 HydrophobicContact CG2-CB 4.45Å; I876-P1028 HydrophobicContact CB-CG 4.04Å; I876-P1028 WeakPolarHBondContact O-CG 3.19Å
877S69.8Low69.1Low13 Ų1370.6 Ų70.69%0.09139%0.393CS..  trans-87.5158.1-179.363.30000113N875 E880 W881 D1029N875-S877 PolarHBondContact O-N 2.93Å; S877-E880 WeakPolarHBondContact O-CA 3.45Å; S877-E880 WeakPolarHBondContact O-CB 3.29Å; S877-E880 PolarHBondContact O-N 3.08Å; S877-W881 PolarHBondContact O-N 3.02Å; S877-D1029 WeakPolarHBondContact CA-OD2 3.19Å
878M76.7Confident69.7Low97 Ų9773.7 Ų73.748%0.47840%0.402SS..Hα-helixtrans-53.1-41.7178.2-168.872.1172.900113.9E880 W881 F882 P1027 D1029M878-E880 VanDerWaalsContact C-N 3.33Å; M878-E880 PolarHBondContact O-N 3.28Å; M878-W881 HydrophobicContact CE-CZ3 4.46Å; M878-W881 HydrophobicContact SD-CE3 4.32Å; M878-F882 PolarHBondContact O-N 2.83Å; M878-F882 VanDerWaalsContact O-N 3.09Å; M878-P1027 HydrophobicContact SD-CB 3.75Å; M878-P1027 HydrophobicContact SD-CG 4.43Å; M878-D1029 WeakPolarHBondContact CB-OD2 3.42Å; M878-D1029 PolarHBondContact N-OD2 2.93Å
879P78.6Confident69.9Low26 Ų2681.8 Ų81.817%0.16944%0.435CS..Hα-helixtrans-63.3-36.6172.2-22.134.8000113.1L859 F882 G883 L884L859-P879 HydrophobicContact CB-CG 3.87Å; P879-F882 PolarHBondContact O-N 3.22Å; P879-G883 PolarHBondContact O-N 2.97Å; P879-L884 CarbonylContact C-O 3.42Å; P879-L884 WeakPolarHBondContact CB-O 3.43Å; P879-L884 PolarHBondContact O-N 2.89Å
880E77.5Confident70Confident67 Ų6778.1 Ų78.131%0.31344%0.435SS..Hα-helixtrans-72-42.4-179.8-169166.2-141.200111.9I876 S877 M878 F882 G883 K885I876-E880 HydrophobicContact CG2-CB 4.04Å; I876-E880 HydrophobicContact CG2-CG 4.11Å; S877-E880 WeakPolarHBondContact O-CA 3.45Å; S877-E880 WeakPolarHBondContact O-CB 3.29Å; S877-E880 PolarHBondContact O-N 3.08Å; M878-E880 VanDerWaalsContact C-N 3.33Å; M878-E880 PolarHBondContact O-N 3.28Å; E880-F882 VanDerWaalsContact C-N 3.27Å; E880-F882 PolarHBondContact O-N 3.31Å; E880-G883 WeakPolarHBondContact O-CA 3.18Å; E880-G883 PolarHBondContact O-N 3.04Å; E880-G883 VanDerWaalsContact O-N 3.08Å; E880-K885 IonicContact OE1-NZ 3.93Å; E880-K885 PolarHBondContact OE1-NZ 2.88Å
881W81.9Confident70.3Confident59 Ų5974.2 Ų74.222%0.22342%0.417CS..Hα-helixtrans-57.8-39.3170.117785.4000112A810 I876 S877 M878 V1024 P1027A810-W881 HydrophobicContact CB-CD2 4.36Å; A810-W881 HydrophobicContact CB-CE3 4.09Å; A810-W881 HydrophobicContact CB-CH2 3.82Å; A810-W881 HydrophobicContact CB-CZ2 4.1Å; A810-W881 HydrophobicContact CB-CZ3 3.81Å; A810-W881 PolarHBondContact N-O 3.11Å; I876-W881 HydrophobicContact CG2-CB 4.45Å; S877-W881 PolarHBondContact O-N 3.02Å; M878-W881 HydrophobicContact CE-CZ3 4.46Å; M878-W881 HydrophobicContact SD-CE3 4.32Å; W881-V1024 HydrophobicContact CZ2-CG1 4.01Å; W881-V1024 PolarHBondContact NE1-O 3.22Å; W881-P1027 HydrophobicContact CD2-CB 4.1Å; W881-P1027 HydrophobicContact CE3-CB 4.4Å; W881-P1027 HydrophobicContact CG-CB 4.37Å
882F85.2Confident70.6Confident94 Ų9476.3 Ų76.341%0.41242%0.422SS..Hα-helixtrans-68.3-40.6173.9-164.9-106.4000112A810 L811 M878 P879 E880 L884A810-F882 HydrophobicContact CB-CD2 4.34Å; L811-F882 VanDerWaalsContact CB-O 3.27Å; L811-F882 WeakPolarHBondContact CB-O 3.44Å; L811-F882 HydrophobicContact CD1-CE1 3.83Å; L811-F882 HydrophobicContact CD1-CZ 4.07Å; L811-F882 PolarHBondContact N-O 2.8Å; L811-F882 VanDerWaalsContact N-O 3.1Å; M878-F882 PolarHBondContact O-N 2.83Å; M878-F882 VanDerWaalsContact O-N 3.09Å; P879-F882 PolarHBondContact O-N 3.22Å; E880-F882 VanDerWaalsContact C-N 3.27Å; E880-F882 PolarHBondContact O-N 3.31Å; F882-L884 HydrophobicContact CD1-CD1 4.05Å; F882-L884 HydrophobicContact CD1-CG 4.17Å; F882-L884 HydrophobicContact CE1-CD1 4.42Å
883G80.5Confident71.3Confident7 Ų772.6 Ų72.67%0.07240%0.396CS..THydrogen-bonded Turntrans117.122.5176.800000115.5N809 P879 E880N809-G883 VanDerWaalsContact ND2-CA 3.31Å; N809-G883 WeakPolarHBondContact ND2-CA 3.26Å; P879-G883 PolarHBondContact O-N 2.97Å; E880-G883 WeakPolarHBondContact O-CA 3.18Å; E880-G883 PolarHBondContact O-N 3.04Å; E880-G883 VanDerWaalsContact O-N 3.08Å
884L82.2Confident72.1Confident38 Ų3872.4 Ų72.420%0.19940%0.396CS..  trans-109.7111.1174.3-64.4174.3000109.5K848 Y851 P879 F882K848-L884 HydrophobicContact CG-CD2 4.31Å; Y851-L884 HydrophobicContact CD1-CB 4.46Å; Y851-L884 HydrophobicContact CE1-CB 4.45Å; P879-L884 CarbonylContact C-O 3.42Å; P879-L884 WeakPolarHBondContact CB-O 3.43Å; P879-L884 PolarHBondContact O-N 2.89Å; F882-L884 HydrophobicContact CD1-CD1 4.05Å; F882-L884 HydrophobicContact CD1-CG 4.17Å; F882-L884 HydrophobicContact CE1-CD1 4.42Å
885K77.7Confident73.2Confident101 Ų10178.8 Ų78.844%0.43941%0.408SS..  trans-126.6134.1179.3-174.8168-172.2153.30109.1Q852 E880 M896Q852-K885 PolarHBondContact NE2-O 3.01Å; E880-K885 IonicContact OE1-NZ 3.93Å; E880-K885 PolarHBondContact OE1-NZ 2.88Å; K885-M896 WeakPolarHBondContact O-CE 3.38Å
886K77.6Confident74Confident48 Ų4873.6 Ų73.621%0.20938%0.38CS..PPolyproline II helixtrans-81.8125.4169.9-147.1172.9-170.8178.40105.9Y851 L853 V856 E858Y851-K886 HydrophobicContact CD1-CB 4.46Å; Y851-K886 HydrophobicContact CE1-CB 4.02Å; L853-K886 PolarHBondContact O-NZ 3.46Å; V856-K886 PolarHBondContact O-NZ 3.38Å; E858-K886 HydrophobicContact CG-CB 4.14Å; E858-K886 HydrophobicContact CG-CD 4.37Å
887E71.8Confident74.8Confident82 Ų8270.5 Ų70.538%0.38336%0.364SS..PPolyproline II helixtrans-84.5155.8-177.2-68.2-70.6178.100110.2Q852 T891Q852-E887 VanDerWaalsContact OE1-N 3.11Å; E887-T891 VanDerWaalsContact CB-OG1 3.28Å; E887-T891 WeakPolarHBondContact CB-OG1 3.4Å
888V66.1Low75.6Confident117 Ų11776.2 Ų76.271%0.70939%0.387SS*.PPolyproline II helixtrans-65.2141.9-178.8-176.30000110.3G890 T891V888-G890 PolarHBondContact O-N 3Å; V888-G890 VanDerWaalsContact O-N 3.11Å; V888-T891 PolarHBondContact O-N 3.2Å; V888-T891 PolarHBondContact O-OG1 3.25Å
889E58.8Low75.9Confident196 Ų19672.7 Ų72.792%0.91638%0.376SS*.THydrogen-bonded Turntrans-45.9118.3176.3-68.5-175.9160.800111.3
890G60Low76.3Confident83 Ų8371.6 Ų71.686%0.85637%0.368SS*.THydrogen-bonded Turntrans113.3-12.5176.800000116.4V888V888-G890 PolarHBondContact O-N 3Å; V888-G890 VanDerWaalsContact O-N 3.11Å
891T64.5Low76.8Confident76 Ų7669 Ų6947%0.46636%0.356SS..  trans-79.2128.4173.561.90000112.1E887 V888E887-T891 VanDerWaalsContact CB-OG1 3.28Å; E887-T891 WeakPolarHBondContact CB-OG1 3.4Å; V888-T891 PolarHBondContact O-N 3.2Å; V888-T891 PolarHBondContact O-OG1 3.25Å
892E68.8Low77Confident86 Ų8668.7 Ų68.740%0.40236%0.361SS..  trans-65.7135.5177.7-67.2-177.5-164.300112.3I894 Y895E892-I894 HydrophobicContact CB-CG2 3.9Å; E892-I894 PolarHBondContact O-N 2.94Å; E892-Y895 HydrophobicContact CB-CD2 4.14Å; E892-Y895 HydrophobicContact CB-CE2 4.16Å; E892-Y895 PolarHBondContact O-N 3.29Å
893P73.5Confident77.2Confident23 Ų2364.3 Ų64.315%0.14934%0.342CS..Hα-helixtrans-52-21.5177.6-29.934.2000115.8T613 Y895 M896 L897T613-P893 WeakPolarHBondContact O-CD 3.49Å; P893-Y895 VanDerWaalsContact C-N 3.3Å; P893-Y895 PolarHBondContact O-N 3.01Å; P893-M896 PolarHBondContact O-N 3.19Å; P893-L897 PolarHBondContact O-N 3.17Å
894I77.9Confident77.5Confident56 Ų5664 Ų6429%0.28734%0.339SS..Hα-helixtrans-60.6-35.1-180-160.8170.4000113.1E892 L897 F898E892-I894 HydrophobicContact CB-CG2 3.9Å; E892-I894 PolarHBondContact O-N 2.94Å; I894-L897 PolarHBondContact O-N 3.32Å; I894-F898 WeakPolarHBondContact O-CA 3.46Å; I894-F898 WeakPolarHBondContact O-CB 3.29Å; I894-F898 PolarHBondContact O-N 3.07Å
895Y80.1Confident77.7Confident178 Ų17866.3 Ų66.370%0.69835%0.351SS*.Hα-helixtrans-70.4-45.3-178.4-66-76.4000111.5E892 P893 L897 F898E892-Y895 HydrophobicContact CB-CD2 4.14Å; E892-Y895 HydrophobicContact CB-CE2 4.16Å; E892-Y895 PolarHBondContact O-N 3.29Å; P893-Y895 VanDerWaalsContact C-N 3.3Å; P893-Y895 PolarHBondContact O-N 3.01Å; Y895-L897 PolarHBondContact O-N 3.33Å; Y895-F898 PolarHBondContact O-N 3.33Å
896M79.4Confident78.2Confident32 Ų3262.3 Ų62.316%0.15834%0.336CS..Hα-helixtrans-60.4-31.6177.8-163.8-150.1-167.800112.8K848 Q852 K885 P893K848-M896 HydrophobicContact CB-CE 3.82Å; K848-M896 HydrophobicContact CB-SD 3.84Å; K848-M896 HydrophobicContact CD-CE 3.84Å; K848-M896 HydrophobicContact CD-CG 4.44Å; K848-M896 HydrophobicContact CD-SD 4.15Å; K848-M896 HydrophobicContact CG-CE 3.71Å; K848-M896 HydrophobicContact CG-SD 4.25Å; Q852-M896 HydrophobicContact CG-SD 4.28Å; Q852-M896 PolarHBondContact NE2-SD 3.36Å; Q852-M896 VanDerWaalsContact NE2-SD 3.36Å; K885-M896 WeakPolarHBondContact O-CE 3.38Å; P893-M896 PolarHBondContact O-N 3.19Å
897L83.4Confident78.7Confident2 Ų260.1 Ų60.11%0.0133%0.327CS..Hα-helixtrans-100-8.2-176.1-65.1174.8000114.2F625 A845 K848 M849 P893 I894 Y895 G899 V900 I901F625-L897 HydrophobicContact CE2-CD1 4.41Å; F625-L897 HydrophobicContact CZ-CD1 4.37Å; A845-L897 HydrophobicContact CB-CD2 4.03Å; K848-L897 HydrophobicContact CB-CD2 4.12Å; M849-L897 HydrophobicContact CG-CD1 3.73Å; M849-L897 HydrophobicContact SD-CD1 3.93Å; P893-L897 PolarHBondContact O-N 3.17Å; I894-L897 PolarHBondContact O-N 3.32Å; Y895-L897 PolarHBondContact O-N 3.33Å; L897-G899 PolarHBondContact O-N 3.06Å; L897-V900 WeakPolarHBondContact O-CA 3.35Å; L897-V900 WeakPolarHBondContact O-CB 3.4Å; L897-V900 PolarHBondContact O-N 2.93Å; L897-I901 HydrophobicContact CB-CD1 3.71Å; L897-I901 HydrophobicContact CB-CG1 4.15Å; L897-I901 WeakPolarHBondContact O-CG1 3.47Å; L897-I901 PolarHBondContact O-N 3.28Å
898F85.8Confident79.3Confident133 Ų13356.7 Ų56.758%0.58331%0.312SS*.Hα-helixtrans-53.6-53.1-167.5-177.7-102.8000113.8I894 Y895 V900 I901 V902I894-F898 WeakPolarHBondContact O-CA 3.46Å; I894-F898 WeakPolarHBondContact O-CB 3.29Å; I894-F898 PolarHBondContact O-N 3.07Å; Y895-F898 PolarHBondContact O-N 3.33Å; F898-V900 VanDerWaalsContact C-N 3.27Å; F898-V900 PolarHBondContact O-N 3.25Å; F898-I901 PolarHBondContact O-N 3.38Å; F898-V902 HydrophobicContact CD1-CG2 4.34Å; F898-V902 HydrophobicContact CD2-CG2 4.47Å; F898-V902 HydrophobicContact CE1-CG2 3.97Å; F898-V902 HydrophobicContact CE2-CG2 4.11Å; F898-V902 HydrophobicContact CZ-CG2 3.84Å; F898-V902 WeakPolarHBondContact O-CG2 3.3Å; F898-V902 PolarHBondContact O-N 2.9Å
899G83Confident80.3Confident23 Ų2354.3 Ų54.324%0.23729%0.293CS..Hα-helixtrans-63.5-30.8179.900000113.8L897 S903L897-G899 PolarHBondContact O-N 3.06Å; G899-S903 WeakPolarHBondContact O-CB 3.29Å; G899-S903 PolarHBondContact O-N 2.79Å; G899-S903 VanDerWaalsContact O-N 3.1Å; G899-S903 PolarHBondContact O-OG 2.97Å
900V87.1Confident81.7Confident2 Ų245.2 Ų45.21%0.01225%0.25CS..Hα-helixtrans-72.8-46.1175.9-177.20000110.2F803 L841 V844 A845 L897 F898 V902 S903 I904F803-V900 HydrophobicContact CE2-CG2 4.28Å; F803-V900 HydrophobicContact CZ-CG2 3.73Å; L841-V900 HydrophobicContact CB-CG1 4.1Å; L841-V900 HydrophobicContact CD2-CG1 4.14Å; L841-V900 WeakPolarHBondContact O-CG1 3.4Å; V844-V900 HydrophobicContact CG1-CG2 4.46Å; A845-V900 HydrophobicContact CB-CG1 4.05Å; L897-V900 WeakPolarHBondContact O-CA 3.35Å; L897-V900 WeakPolarHBondContact O-CB 3.4Å; L897-V900 PolarHBondContact O-N 2.93Å; F898-V900 VanDerWaalsContact C-N 3.27Å; F898-V900 PolarHBondContact O-N 3.25Å; V900-V902 PolarHBondContact O-N 2.84Å; V900-S903 PolarHBondContact O-N 3.44Å; V900-I904 HydrophobicContact CG1-CD1 3.85Å; V900-I904 WeakPolarHBondContact O-CD1 3.49Å; V900-I904 VanDerWaalsContact O-CG1 3.29Å; V900-I904 WeakPolarHBondContact O-CG1 3.46Å; V900-I904 PolarHBondContact O-N 3.47Å
901I86.8Confident82.8Confident12 Ų1241.9 Ų41.96%0.06221%0.213CC..Hα-helixtrans-60.4-45.5175.9-68.4167.5000110.9W628 L897 F898 S903 I904 I905W628-I901 HydrophobicContact CH2-CG2 4.35Å; L897-I901 HydrophobicContact CB-CD1 3.71Å; L897-I901 HydrophobicContact CB-CG1 4.15Å; L897-I901 WeakPolarHBondContact O-CG1 3.47Å; L897-I901 PolarHBondContact O-N 3.28Å; F898-I901 PolarHBondContact O-N 3.38Å; I901-S903 PolarHBondContact O-N 2.87Å; I901-I904 PolarHBondContact O-N 3.13Å; I901-I905 HydrophobicContact CG2-CD1 3.74Å; I901-I905 HydrophobicContact CG2-CG1 4.43Å; I901-I905 VanDerWaalsContact O-CG1 3.3Å; I901-I905 WeakPolarHBondContact O-CG1 3.28Å; I901-I905 PolarHBondContact O-N 3.41Å
902V87.5Confident83.8Confident54 Ų5441.1 Ų41.133%0.32721%0.206SC..Hα-helixtrans-60.8-43.6176.5170.40000111.2I799 F898 V900 I905 A906I799-V902 HydrophobicContact CG2-CG1 4.29Å; F898-V902 HydrophobicContact CD1-CG2 4.34Å; F898-V902 HydrophobicContact CD2-CG2 4.47Å; F898-V902 HydrophobicContact CE1-CG2 3.97Å; F898-V902 HydrophobicContact CE2-CG2 4.11Å; F898-V902 HydrophobicContact CZ-CG2 3.84Å; F898-V902 WeakPolarHBondContact O-CG2 3.3Å; F898-V902 PolarHBondContact O-N 2.9Å; V900-V902 PolarHBondContact O-N 2.84Å; V902-I905 PolarHBondContact O-N 3.24Å; V902-A906 WeakPolarHBondContact O-CB 3.17Å; V902-A906 PolarHBondContact O-N 2.82Å
903S87.8Confident84.6Confident2 Ų237 Ų371%0.01419%0.187CC..Hα-helixtrans-63.8-41.5177.1-61.40000112.2G899 V900 I901 A906 L907G899-S903 WeakPolarHBondContact O-CB 3.29Å; G899-S903 PolarHBondContact O-N 2.79Å; G899-S903 VanDerWaalsContact O-N 3.1Å; G899-S903 PolarHBondContact O-OG 2.97Å; V900-S903 PolarHBondContact O-N 3.44Å; I901-S903 PolarHBondContact O-N 2.87Å; S903-A906 PolarHBondContact O-N 3.34Å; S903-L907 WeakPolarHBondContact O-CB 3.28Å; S903-L907 WeakPolarHBondContact O-CG 3.41Å; S903-L907 PolarHBondContact O-N 3.25Å
904I87.6Confident85Confident1 Ų137.8 Ų37.81%0.00519%0.189CC..Hα-helixtrans-62.8-44.2174.4-71.1162.2000111.1L632 L841 F842 V900 I901 L907 A908L632-I904 HydrophobicContact CD1-CG2 3.94Å; L841-I904 HydrophobicContact CB-CD1 4.29Å; L841-I904 HydrophobicContact CB-CG1 4Å; F842-I904 HydrophobicContact CD1-CD1 3.72Å; F842-I904 HydrophobicContact CD1-CG1 4.45Å; F842-I904 HydrophobicContact CE1-CD1 3.77Å; F842-I904 HydrophobicContact CE1-CG1 4.26Å; F842-I904 HydrophobicContact CE1-CG2 3.67Å; F842-I904 HydrophobicContact CE2-CG2 4.4Å; F842-I904 HydrophobicContact CG-CD1 4.37Å; F842-I904 HydrophobicContact CZ-CD1 4.47Å; F842-I904 HydrophobicContact CZ-CG1 4.49Å; F842-I904 HydrophobicContact CZ-CG2 3.53Å; V900-I904 HydrophobicContact CG1-CD1 3.85Å; V900-I904 WeakPolarHBondContact O-CD1 3.49Å; V900-I904 VanDerWaalsContact O-CG1 3.29Å; V900-I904 WeakPolarHBondContact O-CG1 3.46Å; V900-I904 PolarHBondContact O-N 3.47Å; I901-I904 PolarHBondContact O-N 3.13Å; I904-L907 PolarHBondContact O-N 2.89Å; I904-A908 WeakPolarHBondContact O-CB 3.38Å; I904-A908 PolarHBondContact O-N 2.83Å
905I86.9Confident85.1Confident86 Ų8639.7 Ų39.744%0.44119%0.194SC..Hα-helixtrans-65.5-41.7177.7-69.3168.9000110.9I901 V902 A908 F909I901-I905 HydrophobicContact CG2-CD1 3.74Å; I901-I905 HydrophobicContact CG2-CG1 4.43Å; I901-I905 VanDerWaalsContact O-CG1 3.3Å; I901-I905 WeakPolarHBondContact O-CG1 3.28Å; I901-I905 PolarHBondContact O-N 3.41Å; V902-I905 PolarHBondContact O-N 3.24Å; I905-A908 PolarHBondContact O-N 2.76Å; I905-F909 WeakPolarHBondContact O-CB 3.48Å; I905-F909 PolarHBondContact O-N 2.74Å
906A87.9Confident85.3Confident16 Ų1634.6 Ų34.613%0.13217%0.173CC..Hα-helixtrans-61.9-43.8176.400000111.6V796 I799 V902 S903 F909 Q910V796-A906 HydrophobicContact CG2-CB 4.34Å; I799-A906 HydrophobicContact CD1-CB 3.93Å; V902-A906 WeakPolarHBondContact O-CB 3.17Å; V902-A906 PolarHBondContact O-N 2.82Å; S903-A906 PolarHBondContact O-N 3.34Å; A906-F909 PolarHBondContact O-N 2.9Å; A906-Q910 PolarHBondContact O-N 2.89Å
907L88.2Confident85.5Confident2 Ų233.3 Ų33.31%0.0117%0.167CC..Hα-helixtrans-62.1-46.2172.5-73165.2000111.3K636 V796 M837 C838 L841 S903 I904 F909 Q910 S911K636-L907 WeakPolarHBondContact CE-O 3.37Å; K636-L907 PolarHBondContact NZ-O 2.94Å; V796-L907 HydrophobicContact CG1-CD2 3.83Å; V796-L907 HydrophobicContact CG1-CG 4.36Å; M837-L907 HydrophobicContact CB-CD1 4.37Å; C838-L907 HydrophobicContact CB-CD1 3.97Å; L841-L907 HydrophobicContact CD1-CD1 3.92Å; S903-L907 WeakPolarHBondContact O-CB 3.28Å; S903-L907 WeakPolarHBondContact O-CG 3.41Å; S903-L907 PolarHBondContact O-N 3.25Å; I904-L907 PolarHBondContact O-N 2.89Å; L907-F909 VanDerWaalsContact C-N 3.31Å; L907-F909 PolarHBondContact O-N 2.83Å; L907-Q910 WeakPolarHBondContact O-CB 3.32Å; L907-Q910 PolarHBondContact O-N 3.34Å; L907-S911 PolarHBondContact O-N 3.44Å; L907-S911 PolarHBondContact O-OG 3.48Å
908A84.2Confident85.4Confident10 Ų1040 Ų408%0.08319%0.192CC..Hα-helixtrans-59-41.9176.400000111.8I904 I905 S911 I912I904-A908 WeakPolarHBondContact O-CB 3.38Å; I904-A908 PolarHBondContact O-N 2.83Å; I905-A908 PolarHBondContact O-N 2.76Å; A908-S911 PolarHBondContact O-N 3.34Å; A908-S911 PolarHBondContact O-OG 3.01Å; A908-I912 WeakPolarHBondContact O-CG1 3.44Å; A908-I912 PolarHBondContact O-N 3.12Å; A908-I912 VanDerWaalsContact O-N 3.09Å
909F86.8Confident85Confident68 Ų6839.2 Ų39.230%0.29819%0.19SC..Hα-helixtrans-65.3-40177.1-170.6-108.4000112.7W785 F788 I792 I905 A906 L907 S911 I912 V913W785-F909 HydrophobicContact CH2-CE2 4.28Å; W785-F909 HydrophobicContact CH2-CZ 4.4Å; W785-F909 HydrophobicContact CZ3-CE2 4.29Å; W785-F909 HydrophobicContact CZ3-CZ 4.11Å; F788-F909 HydrophobicContact CD1-CE1 4.46Å; F788-F909 HydrophobicContact CD2-CE1 4.44Å; F788-F909 HydrophobicContact CE1-CE1 4.48Å; F788-F909 HydrophobicContact CE2-CE1 4.44Å; F788-F909 HydrophobicContact CE2-CZ 4.46Å; F788-F909 HydrophobicContact CG-CE1 4.45Å; F788-F909 HydrophobicContact CZ-CE1 4.48Å; I792-F909 HydrophobicContact CD1-CD1 3.97Å; I792-F909 HydrophobicContact CD1-CE1 4.38Å; I905-F909 WeakPolarHBondContact O-CB 3.48Å; I905-F909 PolarHBondContact O-N 2.74Å; A906-F909 PolarHBondContact O-N 2.9Å; L907-F909 VanDerWaalsContact C-N 3.31Å; L907-F909 PolarHBondContact O-N 2.83Å; F909-S911 VanDerWaalsContact C-N 3.28Å; F909-S911 PolarHBondContact O-N 2.71Å; F909-I912 PolarHBondContact O-N 3.04Å; F909-V913 HydrophobicContact CD1-CG2 3.87Å; F909-V913 HydrophobicContact CE1-CG2 3.54Å; F909-V913 HydrophobicContact CE2-CG2 4.37Å; F909-V913 HydrophobicContact CG-CG2 4.41Å; F909-V913 HydrophobicContact CZ-CG2 3.82Å; F909-V913 WeakPolarHBondContact O-CG2 3.44Å; F909-V913 PolarHBondContact O-N 3.46Å
910Q88.6Confident84.8Confident5 Ų541.4 Ų41.42%0.02319%0.191CC..Hα-helixtrans-52.6-45.7172-175-169.88.200111.6I792 V796 D830 A906 L907 I914I792-Q910 HydrophobicContact CG1-CB 3.99Å; I792-Q910 HydrophobicContact CG1-CG 4.12Å; I792-Q910 HydrophobicContact CG2-CG 4.24Å; V796-Q910 HydrophobicContact CG2-CB 4.31Å; D830-Q910 PolarHBondContact OD1-NE2 3.36Å; A906-Q910 PolarHBondContact O-N 2.89Å; L907-Q910 WeakPolarHBondContact O-CB 3.32Å; L907-Q910 PolarHBondContact O-N 3.34Å; Q910-I914 HydrophobicContact CG-CD1 4.05Å; Q910-I914 WeakPolarHBondContact O-CD1 3.47Å; Q910-I914 VanDerWaalsContact O-CG1 3.28Å; Q910-I914 WeakPolarHBondContact O-CG1 3.4Å; Q910-I914 PolarHBondContact O-N 2.96Å; Q910-I914 VanDerWaalsContact O-N 3.15Å
911S83.4Confident84.5Confident12 Ų1243 Ų438%0.08420%0.197CC..Hα-helixtrans-64.8-41.3174.422.30000112.8K636 L907 A908 F909 I914 Y915K636-S911 WeakPolarHBondContact CD-OG 3.38Å; K636-S911 WeakPolarHBondContact CE-OG 3.38Å; K636-S911 PolarHBondContact NZ-OG 3.29Å; K636-S911 VanDerWaalsContact NZ-OG 3.16Å; L907-S911 PolarHBondContact O-N 3.44Å; L907-S911 PolarHBondContact O-OG 3.48Å; A908-S911 PolarHBondContact O-N 3.34Å; A908-S911 PolarHBondContact O-OG 3.01Å; F909-S911 VanDerWaalsContact C-N 3.28Å; F909-S911 PolarHBondContact O-N 2.71Å; S911-I914 PolarHBondContact O-N 3.45Å; S911-Y915 WeakPolarHBondContact O-CB 3.15Å; S911-Y915 WeakPolarHBondContact O-CD2 3.4Å; S911-Y915 PolarHBondContact O-N 2.9Å
912I84.9Confident84Confident61 Ų6146.4 Ų46.431%0.31323%0.227SC..Hα-helixtrans-63-44.5178.9-66.5165.6000111.2L635 A908 F909 R916L635-I912 HydrophobicContact CD2-CD1 4.34Å; A908-I912 WeakPolarHBondContact O-CG1 3.44Å; A908-I912 PolarHBondContact O-N 3.12Å; A908-I912 VanDerWaalsContact O-N 3.09Å; F909-I912 PolarHBondContact O-N 3.04Å; I912-R916 VanDerWaalsContact O-CB 3.28Å; I912-R916 WeakPolarHBondContact O-CB 3.35Å; I912-R916 PolarHBondContact O-N 3.14Å
913V86.2Confident83.4Confident0 Ų047.4 Ų47.40%024%0.237CC..Hα-helixtrans-57-51.4175.6173.40000110.4W785 F788 F909 R916 Q917W785-V913 HydrophobicContact CE3-CB 4.46Å; W785-V913 HydrophobicContact CE3-CG1 4.39Å; W785-V913 HydrophobicContact CE3-CG2 4.04Å; W785-V913 HydrophobicContact CZ3-CB 4.34Å; W785-V913 HydrophobicContact CZ3-CG2 3.71Å; F788-V913 HydrophobicContact CB-CG1 4.14Å; F788-V913 HydrophobicContact CB-CG2 4.35Å; F909-V913 HydrophobicContact CD1-CG2 3.87Å; F909-V913 HydrophobicContact CE1-CG2 3.54Å; F909-V913 HydrophobicContact CE2-CG2 4.37Å; F909-V913 HydrophobicContact CG-CG2 4.41Å; F909-V913 HydrophobicContact CZ-CG2 3.82Å; F909-V913 WeakPolarHBondContact O-CG2 3.44Å; F909-V913 PolarHBondContact O-N 3.46Å; V913-R916 PolarHBondContact O-N 2.92Å; V913-Q917 PolarHBondContact O-N 3.18Å
914I82.3Confident82.9Confident39 Ų3952 Ų5220%0.226%0.26CS..Hα-helixtrans-65.8-44.5-177.4-66.6168.9000111.2Q910 S911 Q917 R918Q910-I914 HydrophobicContact CG-CD1 4.05Å; Q910-I914 WeakPolarHBondContact O-CD1 3.47Å; Q910-I914 VanDerWaalsContact O-CG1 3.28Å; Q910-I914 WeakPolarHBondContact O-CG1 3.4Å; Q910-I914 PolarHBondContact O-N 2.96Å; Q910-I914 VanDerWaalsContact O-N 3.15Å; S911-I914 PolarHBondContact O-N 3.45Å; I914-Q917 PolarHBondContact O-N 3.12Å; I914-R918 VanDerWaalsContact O-CB 3.3Å; I914-R918 WeakPolarHBondContact O-CB 3.37Å; I914-R918 PolarHBondContact O-N 3.45Å
915Y80.2Confident82.2Confident95 Ų9555.3 Ų55.337%0.37330%0.295SS..Hα-helixtrans-65.6-40.8177-75.3-54000112.4S911 H919S911-Y915 WeakPolarHBondContact O-CB 3.15Å; S911-Y915 WeakPolarHBondContact O-CD2 3.4Å; S911-Y915 PolarHBondContact O-N 2.9Å; Y915-H919 WeakPolarHBondContact O-CB 3.33Å; Y915-H919 PolarHBondContact O-N 3.39Å
916R83.3Confident81.8Confident72 Ų7254.8 Ų54.827%0.27229%0.292SS..Hα-helixtrans-60-50.8174.9-175.9-165.2-176.6-88.61.2110.8E782 W785 I912 V913 H919 Y920E782-R916 IonicContact OE1-CZ 3.87Å; E782-R916 IonicContact OE1-NH1 3.71Å; E782-R916 PolarHBondContact OE1-NH1 2.85Å; E782-R916 IonicContact OE1-NH2 2.78Å; E782-R916 PolarHBondContact OE1-NH2 3.3Å; E782-R916 IonicContact OE2-CZ 2.76Å; E782-R916 IonicContact OE2-NH1 2.89Å; E782-R916 PolarHBondContact OE2-NH1 3.45Å; E782-R916 IonicContact OE2-NH2 2.66Å; W785-R916 VanDerWaalsContact CD1-NH1 3.27Å; W785-R916 VanDerWaalsContact CE2-CD 3.47Å; I912-R916 VanDerWaalsContact O-CB 3.28Å; I912-R916 WeakPolarHBondContact O-CB 3.35Å; I912-R916 PolarHBondContact O-N 3.14Å; V913-R916 PolarHBondContact O-N 2.92Å; R916-H919 PolarHBondContact O-N 3.49Å; R916-Y920 WeakPolarHBondContact O-CB 3.34Å; R916-Y920 PolarHBondContact O-N 3.34Å
917Q83.2Confident81.3Confident4 Ų457.4 Ų57.42%0.01931%0.308CS..Hα-helixtrans-68.9-35.7-177.6-76.5-58.2-20.500112.6E782 V913 I914 Y920 R921E782-Q917 PolarHBondContact OE2-NE2 3.18Å; V913-Q917 PolarHBondContact O-N 3.18Å; I914-Q917 PolarHBondContact O-N 3.12Å; Q917-Y920 PolarHBondContact O-N 3.42Å; Q917-R921 WeakPolarHBondContact O-CG 3.35Å; Q917-R921 PolarHBondContact O-N 3.03Å
918R82.2Confident80.4Confident144 Ų14463.7 Ų63.754%0.54334%0.338SS..Hα-helixtrans-62.4-43.3170.9-174.3176-78.1163.2-4.5111.9I914 A922I914-R918 VanDerWaalsContact O-CB 3.3Å; I914-R918 WeakPolarHBondContact O-CB 3.37Å; I914-R918 PolarHBondContact O-N 3.45Å; R918-A922 VanDerWaalsContact O-CB 3.24Å; R918-A922 WeakPolarHBondContact O-CB 3.43Å; R918-A922 PolarHBondContact O-N 2.84Å
919H77.8Confident79.6Confident115 Ų11568.3 Ų68.353%0.53237%0.369SS..Hα-helixtrans-64.1-43.6174.3-178-78.5000112.1Y915 R916 A922 S923Y915-H919 WeakPolarHBondContact O-CB 3.33Å; Y915-H919 PolarHBondContact O-N 3.39Å; R916-H919 PolarHBondContact O-N 3.49Å; H919-A922 PolarHBondContact O-N 2.78Å; H919-S923 WeakPolarHBondContact O-CB 3.47Å; H919-S923 PolarHBondContact O-N 3.07Å; H919-S923 PolarHBondContact O-OG 3.47Å
920Y79.1Confident78.9Confident70 Ų7068.4 Ų68.428%0.27537%0.372SS..Hα-helixtrans-61.6-48.5179.1-175.9-108000111.7R916 Q917 A922 S923 L924R916-Y920 WeakPolarHBondContact O-CB 3.34Å; R916-Y920 PolarHBondContact O-N 3.34Å; Q917-Y920 PolarHBondContact O-N 3.42Å; Y920-A922 PolarHBondContact O-N 2.94Å; Y920-S923 PolarHBondContact O-N 2.85Å; Y920-S923 PolarHBondContact O-OG 2.86Å; Y920-L924 HydrophobicContact CD1-CD1 4.11Å; Y920-L924 HydrophobicContact CD2-CD1 4.21Å; Y920-L924 HydrophobicContact CE1-CD1 3.61Å; Y920-L924 HydrophobicContact CE2-CD1 3.73Å; Y920-L924 HydrophobicContact CG-CD1 4.38Å; Y920-L924 VanDerWaalsContact CZ-CD1 3.4Å; Y920-L924 PolarHBondContact O-N 2.92Å
921R80.3Confident78.1Confident35 Ų3573.4 Ų73.413%0.13239%0.39CS..Hα-helixtrans-60.8-43.7172.7-71.4-167.5-176102.311.7112.5E789 Q917 S923 L924 G925 L926E789-R921 IonicContact OE1-CZ 3.83Å; E789-R921 VanDerWaalsContact OE1-CZ 3.24Å; E789-R921 IonicContact OE1-NH1 3.71Å; E789-R921 PolarHBondContact OE1-NH1 3.31Å; E789-R921 IonicContact OE1-NH2 2.83Å; E789-R921 PolarHBondContact OE1-NH2 3.25Å; E789-R921 IonicContact OE2-CZ 2.68Å; E789-R921 IonicContact OE2-NH1 3.4Å; E789-R921 IonicContact OE2-NH2 3.72Å; E789-R921 PolarHBondContact OE2-NH2 3.43Å; Q917-R921 WeakPolarHBondContact O-CG 3.35Å; Q917-R921 PolarHBondContact O-N 3.03Å; R921-S923 VanDerWaalsContact C-N 3.27Å; R921-S923 PolarHBondContact O-N 3.06Å; R921-L924 CarbonylContact O-C 3.54Å; R921-L924 PolarHBondContact O-N 3.23Å; R921-G925 PolarHBondContact O-N 3.24Å; R921-L926 HydrophobicContact CB-CB 4.48Å; R921-L926 HydrophobicContact CG-CB 4.24Å; R921-L926 PolarHBondContact O-N 2.97Å
922A76.8Confident77.7Confident83 Ų8376.2 Ų76.269%0.68641%0.414SS*.Hα-helixtrans-62.5-33.7177.700000112.5R918 H919 Y920 L924R918-A922 VanDerWaalsContact O-CB 3.24Å; R918-A922 WeakPolarHBondContact O-CB 3.43Å; R918-A922 PolarHBondContact O-N 2.84Å; H919-A922 PolarHBondContact O-N 2.78Å; Y920-A922 PolarHBondContact O-N 2.94Å; A922-L924 VanDerWaalsContact C-N 3.29Å; A922-L924 PolarHBondContact O-N 3.42Å
923S73.8Confident77.3Confident76 Ų7677.7 Ų77.753%0.53142%0.418SS..Hα-helixtrans-75.8-11.2174.665.50000114.8H919 Y920 R921H919-S923 WeakPolarHBondContact O-CB 3.47Å; H919-S923 PolarHBondContact O-N 3.07Å; H919-S923 PolarHBondContact O-OG 3.47Å; Y920-S923 PolarHBondContact O-N 2.85Å; Y920-S923 PolarHBondContact O-OG 2.86Å; R921-S923 VanDerWaalsContact C-N 3.27Å; R921-S923 PolarHBondContact O-N 3.06Å
924L76.9Confident77.1Confident98 Ų9878.1 Ų78.151%0.51342%0.421SS..Hα-helixtrans-122.7-9-176.2-69.4175.2000114.8Y920 R921 A922 L926Y920-L924 HydrophobicContact CD1-CD1 4.11Å; Y920-L924 HydrophobicContact CD2-CD1 4.21Å; Y920-L924 HydrophobicContact CE1-CD1 3.61Å; Y920-L924 HydrophobicContact CE2-CD1 3.73Å; Y920-L924 HydrophobicContact CG-CD1 4.38Å; Y920-L924 VanDerWaalsContact CZ-CD1 3.4Å; Y920-L924 PolarHBondContact O-N 2.92Å; R921-L924 CarbonylContact O-C 3.54Å; R921-L924 PolarHBondContact O-N 3.23Å; A922-L924 VanDerWaalsContact C-N 3.29Å; A922-L924 PolarHBondContact O-N 3.42Å; L924-L926 HydrophobicContact CB-CD1 4.25Å; L924-L926 HydrophobicContact CB-CG 4.16Å; L924-L926 HydrophobicContact CD1-CD1 4.33Å
925G74Confident77.1Confident71 Ų7178.1 Ų78.173%0.73242%0.42SS*.THydrogen-bonded Turntrans74.224.1179.900000116R921R921-G925 PolarHBondContact O-N 3.24Å
926L77.3Confident76.7Confident74 Ų7475.4 Ų75.439%0.38741%0.414SS..  trans-87.4140.1-174.7-64.3172.4000113.7R921 L924 M930R921-L926 HydrophobicContact CB-CB 4.48Å; R921-L926 HydrophobicContact CG-CB 4.24Å; R921-L926 PolarHBondContact O-N 2.97Å; L924-L926 HydrophobicContact CB-CD1 4.25Å; L924-L926 HydrophobicContact CB-CG 4.16Å; L924-L926 HydrophobicContact CD1-CD1 4.33Å; L926-M930 HydrophobicContact CB-CE 4.48Å; L926-M930 HydrophobicContact CD2-CE 4.28Å
927P76.9Confident76.5Confident72 Ų7279.4 Ų79.447%0.46844%0.44SS..  trans-74153.8-17830.2-37.1000114.5S929 M930P927-S929 PolarHBondContact O-N 3.22Å; P927-M930 HydrophobicContact CG-CE 3.66Å
928E69.5Low76.4Confident134 Ų13480 Ų8063%0.62644%0.443SS*.G310 helixtrans-74.1-18-176.9-65.4-160.5143.700114.8M930 R931E928-M930 PolarHBondContact O-N 2.04Å; E928-M930 VanDerWaalsContact O-N 3.09Å; E928-R931 VanDerWaalsContact O-CB 3.3Å; E928-R931 WeakPolarHBondContact O-CB 3.35Å; E928-R931 PolarHBondContact O-N 2.91Å
929S68.8Low76.1Confident107 Ų10778 Ų7875%0.74844%0.439SS*.G310 helixtrans-62.1-19.6-178.258.50000114.2P927 R931P927-S929 PolarHBondContact O-N 3.22Å; S929-R931 PolarHBondContact O-N 3.48Å
930M70.7Confident76.1Confident70 Ų7077.3 Ų77.335%0.34544%0.436SS..G310 helixtrans-72.9-4.2174.9-73.9-171.7-10100114.4L926 P927 E928 A932 K933 P936L926-M930 HydrophobicContact CB-CE 4.48Å; L926-M930 HydrophobicContact CD2-CE 4.28Å; P927-M930 HydrophobicContact CG-CE 3.66Å; E928-M930 PolarHBondContact O-N 2.04Å; E928-M930 VanDerWaalsContact O-N 3.09Å; M930-A932 PolarHBondContact O-N 3.05Å; M930-K933 PolarHBondContact O-N 3.01Å; M930-P936 HydrophobicContact CG-CB 4.31Å; M930-P936 HydrophobicContact SD-CB 3.75Å; M930-P936 HydrophobicContact SD-CG 4.31Å
931R73.1Confident76.1Confident109 Ų10977.3 Ų77.341%0.41145%0.446SS..G310 helixtrans-57.6-20.9-177.6-174.7172.7-175.9-148.9-7.2115.1E789 D830 E928 S929E789-R931 HydrophobicContact CG-CG 4.46Å; D830-R931 IonicContact OD2-CZ 4Å; D830-R931 IonicContact OD2-NH1 2.82Å; D830-R931 IonicContact OD2-NH2 2.71Å; D830-R931 PolarHBondContact OD2-NH2 2.62Å; E928-R931 VanDerWaalsContact O-CB 3.3Å; E928-R931 WeakPolarHBondContact O-CB 3.35Å; E928-R931 PolarHBondContact O-N 2.91Å; S929-R931 PolarHBondContact O-N 3.48Å
932A73.5Confident76.2Confident72 Ų7278.9 Ų78.960%0.59546%0.455SS*.G310 helixtrans-99.5-1.4-171.700000116M930M930-A932 PolarHBondContact O-N 3.05Å
933K77.6Confident76.5Confident92 Ų9277.5 Ų77.540%0.443%0.434SS..  trans-124.9143.8-178.9-67.3-175.7176.4-176.90110.9M930 Y957M930-K933 PolarHBondContact O-N 3.01Å; K933-Y957 PolarHBondContact NZ-OH 3.21Å
934V81.7Confident76.7Confident8 Ų874.8 Ų74.85%0.04841%0.413CS..SBendtrans-81.4-41.7175.6-178.80000110.2L783 V790 P936 I955 D956L783-V934 HydrophobicContact CD1-CG1 3.72Å; V790-V934 HydrophobicContact CG2-CG2 4.25Å; V934-P936 WeakPolarHBondContact O-CD 3.38Å; V934-I955 HydrophobicContact CB-CG2 4.39Å; V934-I955 HydrophobicContact CG2-CG2 4.35Å; V934-D956 PolarHBondContact N-OD1 3.42Å
935F83.5Confident76.8Confident40 Ų4079.1 Ų79.118%0.17542%0.423CS..  trans-111.491.6177.8-55.6-77.7000111.1L783 D937 F938 Q952 I955L783-F935 HydrophobicContact CD1-CD1 4.2Å; L783-F935 HydrophobicContact CD1-CE1 3.54Å; L783-F935 HydrophobicContact CD1-CZ 3.96Å; L783-F935 HydrophobicContact CD2-CE1 4.24Å; L783-F935 HydrophobicContact CD2-CZ 4.41Å; F935-D937 PolarHBondContact O-N 3.09Å; F935-D937 VanDerWaalsContact O-N 3.16Å; F935-F938 HydrophobicContact CB-CB 4.31Å; F935-F938 PolarHBondContact O-N 2.86Å; F935-Q952 HydrophobicContact CD2-CB 4.42Å; F935-Q952 HydrophobicContact CD2-CG 4.11Å; F935-Q952 HydrophobicContact CE2-CG 4.28Å; F935-Q952 HydrophobicContact CG-CG 4.28Å; F935-I955 HydrophobicContact CE2-CB 4.33Å; F935-I955 HydrophobicContact CE2-CD1 3.9Å; F935-I955 HydrophobicContact CE2-CG2 4.08Å; F935-I955 HydrophobicContact CZ-CD1 4.47Å
936P71.8Confident77.1Confident38 Ų3877.6 Ų77.625%0.24740%0.401CS..THydrogen-bonded Turntrans-63.1-22.7-178.925.3-34.2000113.6M930 V934 F938M930-P936 HydrophobicContact CG-CB 4.31Å; M930-P936 HydrophobicContact SD-CB 3.75Å; M930-P936 HydrophobicContact SD-CG 4.31Å; V934-P936 WeakPolarHBondContact O-CD 3.38Å; P936-F938 PolarHBondContact O-N 3.25Å
937D77.3Confident77.1Confident155 Ų15579.3 Ų79.383%0.82941%0.41SS*.THydrogen-bonded Turntrans-83.8-3.6-174-43.2-41.5000114.2F935F935-D937 PolarHBondContact O-N 3.09Å; F935-D937 VanDerWaalsContact O-N 3.16Å
938F81.2Confident77.4Confident17 Ų1782.6 Ų82.68%0.07542%0.417CS..  trans-98.6134.4-170.4180-102.6000114.3F935 P936 H942 N949 Q952 F953 Y957F935-F938 HydrophobicContact CB-CB 4.31Å; F935-F938 PolarHBondContact O-N 2.86Å; P936-F938 PolarHBondContact O-N 3.25Å; F938-H942 HydrophobicContact CE2-CB 4.28Å; F938-N949 HydrophobicContact CE2-CB 3.93Å; F938-N949 WeakPolarHBondContact CZ-O 3.31Å; F938-Q952 HydrophobicContact CD1-CB 4.26Å; F938-Q952 HydrophobicContact CD2-CB 4.01Å; F938-Q952 HydrophobicContact CE2-CB 4.35Å; F938-Q952 HydrophobicContact CG-CB 3.98Å; F938-F953 HydrophobicContact CE1-CB 3.73Å; F938-F953 HydrophobicContact CE1-CD2 4.23Å; F938-F953 HydrophobicContact CZ-CB 3.8Å; F938-Y957 HydrophobicContact CD1-CE2 4.28Å; F938-Y957 HydrophobicContact CE1-CE2 4.33Å
939H77.2Confident78.2Confident102 Ų10277.6 Ų77.647%0.47240%0.395SS..  trans-120.1138.4177.2-167.4-88.7000112.1S941 H942H939-S941 VanDerWaalsContact C-N 3.3Å; H939-S941 PolarHBondContact ND1-OG 3.16Å; H939-S941 PolarHBondContact O-N 3.3Å; H939-S941 VanDerWaalsContact O-N 3.16Å; H939-H942 PolarHBondContact O-N 3.18Å
940H76.6Confident78.9Confident100 Ų10074 Ų7446%0.46337%0.371SS..G310 helixtrans-60.7-32.5-164.766.1-104.2000114.3H942 F943 F953H940-H942 PolarHBondContact O-N 3.46Å; H940-H942 VanDerWaalsContact O-N 3.1Å; H940-F943 VanDerWaalsContact O-CD1 3.27Å; H940-F943 WeakPolarHBondContact O-CD1 3.5Å; H940-F943 PolarHBondContact O-N 3.46Å; H940-F953 HydrophobicContact CB-CD2 4.4Å; H940-F953 HydrophobicContact CB-CE2 4.3Å
941S79.4Confident79.5Confident70 Ų7074.7 Ų74.749%0.4938%0.375SS..G310 helixtrans-64.5-12.4-178.953.10000114.8H939H939-S941 VanDerWaalsContact C-N 3.3Å; H939-S941 PolarHBondContact ND1-OG 3.16Å; H939-S941 PolarHBondContact O-N 3.3Å; H939-S941 VanDerWaalsContact O-N 3.16Å
942H83.6Confident80.2Confident68 Ų6870.9 Ų70.932%0.31536%0.362SS..G310 helixtrans-92.90.5-178.3-65.3-60.7000115F938 H939 H940 D944 R945 N949F938-H942 HydrophobicContact CE2-CB 4.28Å; H939-H942 PolarHBondContact O-N 3.18Å; H940-H942 PolarHBondContact O-N 3.46Å; H940-H942 VanDerWaalsContact O-N 3.1Å; H942-D944 VanDerWaalsContact C-N 3.3Å; H942-D944 PolarHBondContact O-N 3.11Å; H942-R945 PolarHBondContact O-N 3.35Å; H942-N949 VanDerWaalsContact O-CB 3.24Å; H942-N949 WeakPolarHBondContact O-CB 3.43Å; H942-N949 PolarHBondContact O-ND2 3.22Å
943F81.5Confident80.8Confident55 Ų5569.4 Ų69.424%0.24134%0.343CS..G310 helixtrans-57-37.8-172.679.3-73.4000113.9H940 R945 A950 F953 Y1283H940-F943 VanDerWaalsContact O-CD1 3.27Å; H940-F943 WeakPolarHBondContact O-CD1 3.5Å; H940-F943 PolarHBondContact O-N 3.46Å; F943-R945 VanDerWaalsContact C-N 3.34Å; F943-R945 PolarHBondContact O-N 3.49Å; F943-A950 PolarHBondContact O-N 2.62Å; F943-F953 HydrophobicContact CB-CB 3.99Å; F943-F953 HydrophobicContact CB-CD2 4.39Å; F943-F953 HydrophobicContact CB-CG 4.07Å; F943-Y1283 WeakPolarHBondContact CZ-OH 3.47Å
944D77.8Confident81.2Confident19 Ų1970.3 Ų70.310%0.10235%0.351CS..G310 helixtrans-74.3-16.6-177.7-85.1-10.9000115.5H942 S946 K1125H942-D944 VanDerWaalsContact C-N 3.3Å; H942-D944 PolarHBondContact O-N 3.11Å; D944-S946 PolarHBondContact O-N 3.41Å; D944-K1125 WeakPolarHBondContact OD1-CE 3.38Å; D944-K1125 IonicContact OD1-NZ 3.61Å; D944-K1125 PolarHBondContact OD1-NZ 3.23Å; D944-K1125 IonicContact OD2-NZ 3.71Å; D944-K1125 PolarHBondContact OD2-NZ 3.23Å
945R79.3Confident81.3Confident188 Ų18874.1 Ų74.171%0.70937%0.37SS*.G310 helixtrans-72.2-31-173.7-66.8-171.8178.6-171-2.6113.5H942 F943H942-R945 PolarHBondContact O-N 3.35Å; F943-R945 VanDerWaalsContact C-N 3.34Å; F943-R945 PolarHBondContact O-N 3.49Å
946S80.4Confident81.4Confident39 Ų3974 Ų7427%0.27337%0.371SS..  trans-159.2156-179.477.80000112.6D944 K948 N949 A950D944-S946 PolarHBondContact O-N 3.41Å; S946-K948 PolarHBondContact O-N 3.45Å; S946-K948 PolarHBondContact OG-N 2.93Å; S946-N949 WeakPolarHBondContact O-CB 2.96Å; S946-N949 PolarHBondContact O-N 3.03Å; S946-N949 VanDerWaalsContact OG-CG 3.31Å; S946-N949 PolarHBondContact OG-N 3.44Å; S946-N949 PolarHBondContact OG-OD1 3.35Å; S946-A950 PolarHBondContact O-N 3.46Å
947L78.1Confident82.1Confident111 Ų11174.7 Ų74.758%0.58137%0.369SS*.Hα-helixtrans-56.3-35.9174.4-167.6104000112.4N949 A950 I951L947-N949 PolarHBondContact O-N 3.28Å; L947-A950 PolarHBondContact O-N 3.22Å; L947-I951 HydrophobicContact CD2-CD1 3.82Å; L947-I951 HydrophobicContact CG-CD1 4.12Å; L947-I951 WeakPolarHBondContact O-CG1 3.37Å; L947-I951 PolarHBondContact O-N 2.91Å
948K83.2Confident82.5Confident140 Ų14067.7 Ų67.761%0.60933%0.334SS*.Hα-helixtrans-59.9-46.2175.5-178.4-171.3173.1-170.70111.1S946 A950 I951 Q952S946-K948 PolarHBondContact O-N 3.45Å; S946-K948 PolarHBondContact OG-N 2.93Å; K948-A950 VanDerWaalsContact C-N 3.34Å; K948-I951 PolarHBondContact O-N 3.25Å; K948-Q952 WeakPolarHBondContact O-CG 3.3Å; K948-Q952 PolarHBondContact O-N 3.41Å
949N85.8Confident82.8Confident30 Ų3069.9 Ų69.916%0.1634%0.344CS..Hα-helixtrans-67.4-36.9179.8-64.76.8000111.3F938 H942 S946 L947 Q952 F953F938-N949 HydrophobicContact CE2-CB 3.93Å; F938-N949 WeakPolarHBondContact CZ-O 3.31Å; H942-N949 VanDerWaalsContact O-CB 3.24Å; H942-N949 WeakPolarHBondContact O-CB 3.43Å; H942-N949 PolarHBondContact O-ND2 3.22Å; S946-N949 WeakPolarHBondContact O-CB 2.96Å; S946-N949 PolarHBondContact O-N 3.03Å; S946-N949 VanDerWaalsContact OG-CG 3.31Å; S946-N949 PolarHBondContact OG-N 3.44Å; S946-N949 PolarHBondContact OG-OD1 3.35Å; L947-N949 PolarHBondContact O-N 3.28Å; N949-Q952 PolarHBondContact O-N 2.99Å; N949-F953 WeakPolarHBondContact O-CB 3.5Å; N949-F953 PolarHBondContact O-N 3.5Å
950A83.2Confident83.3Confident30 Ų3067.6 Ų67.625%0.24833%0.331CS..Hα-helixtrans-63.9-39.1173.700000112.4F943 S946 L947 K948 F953 L954F943-A950 PolarHBondContact O-N 2.62Å; S946-A950 PolarHBondContact O-N 3.46Å; L947-A950 PolarHBondContact O-N 3.22Å; K948-A950 VanDerWaalsContact C-N 3.34Å; A950-F953 PolarHBondContact O-N 2.84Å; A950-L954 WeakPolarHBondContact O-CB 3.41Å; A950-L954 PolarHBondContact O-N 3.06Å
951I84.3Confident83.8Confident86 Ų8665.2 Ų65.244%0.44132%0.32SS..Hα-helixtrans-68.8-42.4174.8-69161.9000111.4L947 K948 F953 L954 I955L947-I951 HydrophobicContact CD2-CD1 3.82Å; L947-I951 HydrophobicContact CG-CD1 4.12Å; L947-I951 WeakPolarHBondContact O-CG1 3.37Å; L947-I951 PolarHBondContact O-N 2.91Å; K948-I951 PolarHBondContact O-N 3.25Å; I951-F953 VanDerWaalsContact C-N 3.33Å; I951-F953 PolarHBondContact O-N 2.84Å; I951-L954 PolarHBondContact O-N 3.17Å; I951-L954 VanDerWaalsContact O-N 3.16Å; I951-I955 HydrophobicContact CG2-CD1 3.91Å; I951-I955 WeakPolarHBondContact O-CG1 3.2Å; I951-I955 PolarHBondContact O-N 2.96Å
952Q86.2Confident84.2Confident29 Ų2965.5 Ų65.514%0.13631%0.312CS..Hα-helixtrans-61-42.7174.6-71.6-179.9-53.300111.4F935 F938 K948 N949 L954 I955 D956F935-Q952 HydrophobicContact CD2-CB 4.42Å; F935-Q952 HydrophobicContact CD2-CG 4.11Å; F935-Q952 HydrophobicContact CE2-CG 4.28Å; F935-Q952 HydrophobicContact CG-CG 4.28Å; F938-Q952 HydrophobicContact CD1-CB 4.26Å; F938-Q952 HydrophobicContact CD2-CB 4.01Å; F938-Q952 HydrophobicContact CE2-CB 4.35Å; F938-Q952 HydrophobicContact CG-CB 3.98Å; K948-Q952 WeakPolarHBondContact O-CG 3.3Å; K948-Q952 PolarHBondContact O-N 3.41Å; N949-Q952 PolarHBondContact O-N 2.99Å; Q952-L954 VanDerWaalsContact C-N 3.35Å; Q952-L954 PolarHBondContact O-N 3.09Å; Q952-I955 PolarHBondContact O-N 2.95Å; Q952-D956 PolarHBondContact O-N 2.91Å; Q952-D956 VanDerWaalsContact O-N 3.09Å
953F86.9Confident84.5Confident41 Ų4162.2 Ų62.218%0.1830%0.297CS..Hα-helixtrans-58.5-43.6171.7177.3-99.1000112.5F938 H940 F943 N949 A950 I951 I955 Y957 K961F938-F953 HydrophobicContact CE1-CB 3.73Å; F938-F953 HydrophobicContact CE1-CD2 4.23Å; F938-F953 HydrophobicContact CZ-CB 3.8Å; H940-F953 HydrophobicContact CB-CD2 4.4Å; H940-F953 HydrophobicContact CB-CE2 4.3Å; F943-F953 HydrophobicContact CB-CB 3.99Å; F943-F953 HydrophobicContact CB-CD2 4.39Å; F943-F953 HydrophobicContact CB-CG 4.07Å; N949-F953 WeakPolarHBondContact O-CB 3.5Å; N949-F953 PolarHBondContact O-N 3.5Å; A950-F953 PolarHBondContact O-N 2.84Å; I951-F953 VanDerWaalsContact C-N 3.33Å; I951-F953 PolarHBondContact O-N 2.84Å; F953-I955 PolarHBondContact O-N 3.42Å; F953-Y957 AromaticContact CD2-CD2 3.89Å; F953-Y957 HydrophobicContact CD2-CD2 3.89Å; F953-Y957 HydrophobicContact CD2-CG 4.28Å; F953-Y957 HydrophobicContact CE2-CD2 4.24Å; F953-Y957 HydrophobicContact CE2-CG 4.19Å; F953-Y957 WeakPolarHBondContact O-CA 3.35Å; F953-Y957 WeakPolarHBondContact O-CB 3.49Å; F953-Y957 PolarHBondContact O-N 3.36Å; F953-K961 HydrophobicContact CZ-CG 4.13Å
954L85.7Confident84.9Confident111 Ų11160.2 Ų60.258%0.58129%0.289SS*.Hα-helixtrans-66.5-36.2179.5-165.4116.1000112.6A950 I951 Q952 G958A950-L954 WeakPolarHBondContact O-CB 3.41Å; A950-L954 PolarHBondContact O-N 3.06Å; I951-L954 PolarHBondContact O-N 3.17Å; I951-L954 VanDerWaalsContact O-N 3.16Å; Q952-L954 VanDerWaalsContact C-N 3.35Å; Q952-L954 PolarHBondContact O-N 3.09Å; L954-G958 WeakPolarHBondContact O-CA 3.4Å; L954-G958 PolarHBondContact O-N 3.48Å
955I84.7Confident85.5Confident88 Ų8859.9 Ų59.945%0.45129%0.287SS..Hα-helixtrans-71.1-48.4178.6-68.1167.7000111.5V934 F935 I951 Q952 F953V934-I955 HydrophobicContact CB-CG2 4.39Å; V934-I955 HydrophobicContact CG2-CG2 4.35Å; F935-I955 HydrophobicContact CE2-CB 4.33Å; F935-I955 HydrophobicContact CE2-CD1 3.9Å; F935-I955 HydrophobicContact CE2-CG2 4.08Å; F935-I955 HydrophobicContact CZ-CD1 4.47Å; I951-I955 HydrophobicContact CG2-CD1 3.91Å; I951-I955 WeakPolarHBondContact O-CG1 3.2Å; I951-I955 PolarHBondContact O-N 2.96Å; Q952-I955 PolarHBondContact O-N 2.95Å; F953-I955 PolarHBondContact O-N 3.42Å
956D85.4Confident86.1Confident37 Ų3753.9 Ų53.920%0.19827%0.268CS..Hα-helixtrans-83.5-27.8-176.4-70-49.2000113.5V934 Q952V934-D956 PolarHBondContact N-OD1 3.42Å; Q952-D956 PolarHBondContact O-N 2.91Å; Q952-D956 VanDerWaalsContact O-N 3.09Å
957Y85.5Confident86.7Confident52 Ų5252.2 Ų52.220%0.20426%0.256CS..Hα-helixtrans-125.4-0.8-174.4-59.1-87.2000115.5K933 F938 F953 F959 Y960 K961K933-Y957 PolarHBondContact NZ-OH 3.21Å; F938-Y957 HydrophobicContact CD1-CE2 4.28Å; F938-Y957 HydrophobicContact CE1-CE2 4.33Å; F953-Y957 AromaticContact CD2-CD2 3.89Å; F953-Y957 HydrophobicContact CD2-CD2 3.89Å; F953-Y957 HydrophobicContact CD2-CG 4.28Å; F953-Y957 HydrophobicContact CE2-CD2 4.24Å; F953-Y957 HydrophobicContact CE2-CG 4.19Å; F953-Y957 WeakPolarHBondContact O-CA 3.35Å; F953-Y957 WeakPolarHBondContact O-CB 3.49Å; F953-Y957 PolarHBondContact O-N 3.36Å; Y957-F959 PolarHBondContact O-N 3.28Å; Y957-Y960 WeakPolarHBondContact O-CB 3.32Å; Y957-Y960 PolarHBondContact O-N 3.45Å; Y957-Y960 VanDerWaalsContact O-N 3.09Å; Y957-K961 PolarHBondContact O-N 3.27Å; Y957-K961 VanDerWaalsContact O-N 3.12Å
958G86.1Confident87.4Confident9 Ų947.7 Ų47.79%0.09323%0.232CC..Hα-helixtrans-57.9-51-175.600000113.5L954 Y960 K961 F962L954-G958 WeakPolarHBondContact O-CA 3.4Å; L954-G958 PolarHBondContact O-N 3.48Å; G958-Y960 VanDerWaalsContact C-N 3.26Å; G958-Y960 PolarHBondContact O-N 3.44Å; G958-K961 PolarHBondContact O-N 2.95Å; G958-F962 PolarHBondContact O-N 3.12Å
959F88.7Confident87.9Confident63 Ų6342.4 Ų42.428%0.27621%0.211SC..Hα-helixtrans-67.6-25.3176.8-165.9-94.3000112.9Y957 G963 I966 L1078 C1081 Q1082 V1085Y957-F959 PolarHBondContact O-N 3.28Å; F959-G963 VanDerWaalsContact O-CA 3.23Å; F959-G963 WeakPolarHBondContact O-CA 3.05Å; F959-G963 PolarHBondContact O-N 3.01Å; F959-I966 HydrophobicContact CD2-CD1 4.25Å; F959-I966 HydrophobicContact CE2-CG2 4.35Å; F959-L1078 HydrophobicContact CE2-CD2 3.94Å; F959-L1078 HydrophobicContact CZ-CD2 4.43Å; F959-C1081 HydrophobicContact CD1-CB 4.41Å; F959-C1081 HydrophobicContact CE1-CB 3.58Å; F959-C1081 HydrophobicContact CZ-CB 3.88Å; F959-Q1082 HydrophobicContact CE1-CB 4.28Å; F959-Q1082 HydrophobicContact CZ-CB 4.22Å; F959-V1085 HydrophobicContact CD1-CG2 3.91Å; F959-V1085 HydrophobicContact CE1-CG2 4.11Å
960Y87.5Confident88.2Confident53 Ų5341.9 Ų41.921%0.20821%0.21CC..Hα-helixtrans-70.3-30.1174.3177.8-96.6000112.8Y957 G958 V1085 N1093Y957-Y960 WeakPolarHBondContact O-CB 3.32Å; Y957-Y960 PolarHBondContact O-N 3.45Å; Y957-Y960 VanDerWaalsContact O-N 3.09Å; G958-Y960 VanDerWaalsContact C-N 3.26Å; G958-Y960 PolarHBondContact O-N 3.44Å; Y960-V1085 HydrophobicContact CD2-CG1 3.83Å; Y960-V1085 HydrophobicContact CE2-CG1 4.34Å; Y960-N1093 PolarHBondContact O-ND2 3.11Å
961K86.3Confident88.7Confident50 Ų5040.5 Ų40.522%0.21720%0.199CC..Hα-helixtrans-92.6-33.9178.5-73.1-56-170.5-178.10114.5F953 Y957 G958 D1092 N1093F953-K961 HydrophobicContact CZ-CG 4.13Å; Y957-K961 PolarHBondContact O-N 3.27Å; Y957-K961 VanDerWaalsContact O-N 3.12Å; G958-K961 PolarHBondContact O-N 2.95Å; K961-D1092 PolarHBondContact NZ-O 3.3Å; K961-N1093 WeakPolarHBondContact CD-OD1 3.43Å; K961-N1093 WeakPolarHBondContact CE-OD1 3.33Å; K961-N1093 PolarHBondContact NZ-OD1 2.62Å
962F88.6Confident89.1Confident76 Ų7636.5 Ų36.533%0.33318%0.178SC..Hα-helixtrans-118.18.9-172.9-58.2-68.6000114.8G958 L964 E965 I966 F1274G958-F962 PolarHBondContact O-N 3.12Å; F962-L964 VanDerWaalsContact C-N 3.31Å; F962-L964 PolarHBondContact O-N 2.99Å; F962-E965 VanDerWaalsContact C-OE2 3.25Å; F962-E965 WeakPolarHBondContact CA-OE2 3.35Å; F962-E965 PolarHBondContact O-N 3.41Å; F962-I966 HydrophobicContact CB-CD1 4.07Å; F962-I966 HydrophobicContact CB-CG1 4.45Å; F962-I966 VanDerWaalsContact O-CG1 3.28Å; F962-I966 WeakPolarHBondContact O-CG1 3.48Å; F962-I966 PolarHBondContact O-N 3.39Å; F962-F1274 HydrophobicContact CD1-CE1 4.35Å
963G89.5Confident89.4Confident0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-62.8-30.1-171.900000115.1F959 T967 Q1082F959-G963 VanDerWaalsContact O-CA 3.23Å; F959-G963 WeakPolarHBondContact O-CA 3.05Å; F959-G963 PolarHBondContact O-N 3.01Å; G963-T967 WeakPolarHBondContact O-CG2 3.28Å; G963-T967 PolarHBondContact O-N 3.49Å; G963-T967 PolarHBondContact O-OG1 2.91Å; G963-Q1082 VanDerWaalsContact CA-OE1 3.31Å
964L90.3Very high89.7Confident13 Ų1337.2 Ų37.27%0.06818%0.184CC..Hα-helixtrans-72.3-42.4175.6174.860.3000111.5F962 T967 M968 R998 V1001 W1005 F1086F962-L964 VanDerWaalsContact C-N 3.31Å; F962-L964 PolarHBondContact O-N 2.99Å; L964-T967 WeakPolarHBondContact CA-OG1 3.43Å; L964-T967 PolarHBondContact O-N 3.43Å; L964-T967 PolarHBondContact O-OG1 3.41Å; L964-M968 HydrophobicContact CD1-CG 4.41Å; L964-M968 HydrophobicContact CG-CE 4.2Å; L964-M968 WeakPolarHBondContact O-CG 3.5Å; L964-M968 PolarHBondContact O-N 3.06Å; L964-R998 HydrophobicContact CD2-CG 4.15Å; L964-V1001 HydrophobicContact CD1-CG1 3.86Å; L964-W1005 HydrophobicContact CD1-CH2 4.41Å; L964-W1005 HydrophobicContact CD1-CZ3 4.01Å; L964-F1086 HydrophobicContact CD1-CZ 4.4Å
965E91Very high90Very high11 Ų1132 Ų325%0.05116%0.157CC..Hα-helixtrans-64.5-42.4176.9-61.287.4156.500110.5F962 M968 I969 V1273 R1277F962-E965 VanDerWaalsContact C-OE2 3.25Å; F962-E965 WeakPolarHBondContact CA-OE2 3.35Å; F962-E965 PolarHBondContact O-N 3.41Å; E965-M968 PolarHBondContact O-N 3.01Å; E965-I969 VanDerWaalsContact O-CG1 3.3Å; E965-I969 WeakPolarHBondContact O-CG1 3.33Å; E965-I969 PolarHBondContact O-N 3.21Å; E965-I969 VanDerWaalsContact O-N 3.12Å; E965-V1273 HydrophobicContact CB-CG1 4.14Å; E965-V1273 HydrophobicContact CG-CG1 4.04Å; E965-R1277 WeakPolarHBondContact OE1-CD 3Å; E965-R1277 IonicContact OE1-CZ 3.22Å; E965-R1277 IonicContact OE1-NE 2.99Å; E965-R1277 PolarHBondContact OE1-NE 3.27Å
966I91.6Very high90.3Very high63 Ų6331.5 Ų31.532%0.32315%0.152SC..Hα-helixtrans-64.2-41.6175.2-67.5164.6000111.8F959 F962 I969 A970F959-I966 HydrophobicContact CD2-CD1 4.25Å; F959-I966 HydrophobicContact CE2-CG2 4.35Å; F962-I966 HydrophobicContact CB-CD1 4.07Å; F962-I966 HydrophobicContact CB-CG1 4.45Å; F962-I966 VanDerWaalsContact O-CG1 3.28Å; F962-I966 WeakPolarHBondContact O-CG1 3.48Å; F962-I966 PolarHBondContact O-N 3.39Å; I966-I969 PolarHBondContact O-N 2.98Å; I966-A970 WeakPolarHBondContact O-CB 3.31Å; I966-A970 PolarHBondContact O-N 3.32Å
967T93Very high90.4Very high4 Ų433.4 Ų33.43%0.02516%0.162CC..Hα-helixtrans-70.6-36.4178.649.20000112.8G963 L964 I969 A970 I971 W1005 L1078 Q1082G963-T967 WeakPolarHBondContact O-CG2 3.28Å; G963-T967 PolarHBondContact O-N 3.49Å; G963-T967 PolarHBondContact O-OG1 2.91Å; L964-T967 WeakPolarHBondContact CA-OG1 3.43Å; L964-T967 PolarHBondContact O-N 3.43Å; L964-T967 PolarHBondContact O-OG1 3.41Å; T967-I969 VanDerWaalsContact C-N 3.34Å; T967-A970 PolarHBondContact O-N 3.12Å; T967-I971 WeakPolarHBondContact O-CG1 3.21Å; T967-I971 PolarHBondContact O-N 3.17Å; T967-W1005 HydrophobicContact CG2-CH2 4.35Å; T967-W1005 HydrophobicContact CG2-CZ2 4Å; T967-W1005 VanDerWaalsContact OG1-CH2 3.26Å; T967-W1005 WeakPolarHBondContact OG1-CH2 3.49Å; T967-L1078 HydrophobicContact CG2-CB 3.83Å; T967-Q1082 HydrophobicContact CG2-CB 4.15Å
968M92.4Very high90.5Very high16 Ų1630.9 Ų30.98%0.07915%0.152CC..Hα-helixtrans-63.3-39.5172.7-71.1-174.8-59.100112.1L964 E965 I971 G972 L990 F993 A994 V1273L964-M968 HydrophobicContact CD1-CG 4.41Å; L964-M968 HydrophobicContact CG-CE 4.2Å; L964-M968 WeakPolarHBondContact O-CG 3.5Å; L964-M968 PolarHBondContact O-N 3.06Å; E965-M968 PolarHBondContact O-N 3.01Å; M968-I971 PolarHBondContact O-N 2.95Å; M968-G972 PolarHBondContact O-N 3.35Å; M968-L990 HydrophobicContact CB-CD1 4.09Å; M968-L990 HydrophobicContact CG-CD1 4.48Å; M968-F993 HydrophobicContact CG-CB 4.28Å; M968-F993 HydrophobicContact SD-CB 4.05Å; M968-A994 HydrophobicContact SD-CB 4.47Å; M968-V1273 HydrophobicContact CE-CG1 3.83Å
969I92.6Very high90.5Very high29 Ų2931 Ų3115%0.14915%0.15CC..Hα-helixtrans-66.2-40.7174.5-67.1166.8000110.8E965 I966 T967 I971 G972 I973 F1274E965-I969 VanDerWaalsContact O-CG1 3.3Å; E965-I969 WeakPolarHBondContact O-CG1 3.33Å; E965-I969 PolarHBondContact O-N 3.21Å; E965-I969 VanDerWaalsContact O-N 3.12Å; I966-I969 PolarHBondContact O-N 2.98Å; T967-I969 VanDerWaalsContact C-N 3.34Å; I969-I971 VanDerWaalsContact C-N 3.34Å; I969-I971 PolarHBondContact O-N 3.23Å; I969-G972 PolarHBondContact O-N 2.94Å; I969-G972 VanDerWaalsContact O-N 3.16Å; I969-I973 HydrophobicContact CG2-CD1 3.96Å; I969-I973 WeakPolarHBondContact O-CG1 3.23Å; I969-I973 PolarHBondContact O-N 3.14Å; I969-F1274 HydrophobicContact CD1-CD2 4.27Å; I969-F1274 HydrophobicContact CD1-CE2 3.6Å; I969-F1274 HydrophobicContact CD1-CZ 4.26Å
970A93Very high90.5Very high19 Ų1928.2 Ų28.216%0.15714%0.138CC..Hα-helixtrans-61.4-39.7175.300000112.6I966 T967 I973 D974 L1078I966-A970 WeakPolarHBondContact O-CB 3.31Å; I966-A970 PolarHBondContact O-N 3.32Å; T967-A970 PolarHBondContact O-N 3.12Å; A970-I973 PolarHBondContact O-N 3.21Å; A970-D974 PolarHBondContact O-N 3.22Å; A970-L1078 HydrophobicContact CB-CD1 3.88Å
971I94.1Very high90.5Very high1 Ų126.8 Ų26.81%0.00514%0.137CC..Hα-helixtrans-63.4-42.8172.7-66.5164.4000110.7T967 M968 I969 I973 D974 I975 Q986 L990 F993 Y1008 V1075T967-I971 WeakPolarHBondContact O-CG1 3.21Å; T967-I971 PolarHBondContact O-N 3.17Å; M968-I971 PolarHBondContact O-N 2.95Å; I969-I971 VanDerWaalsContact C-N 3.34Å; I969-I971 PolarHBondContact O-N 3.23Å; I971-I973 VanDerWaalsContact C-N 3.3Å; I971-I973 PolarHBondContact O-N 2.98Å; I971-D974 PolarHBondContact O-N 3.24Å; I971-I975 HydrophobicContact CG2-CD1 3.82Å; I971-I975 HydrophobicContact CG2-CG1 4.45Å; I971-I975 WeakPolarHBondContact O-CD1 3.33Å; I971-I975 VanDerWaalsContact O-CG1 3.25Å; I971-I975 WeakPolarHBondContact O-CG1 3.26Å; I971-I975 PolarHBondContact O-N 3.11Å; I971-Q986 HydrophobicContact CG2-CB 4.24Å; I971-L990 HydrophobicContact CG2-CB 4.06Å; I971-L990 HydrophobicContact CG2-CD1 4.37Å; I971-F993 HydrophobicContact CD1-CD2 4.1Å; I971-F993 HydrophobicContact CD1-CE2 4.04Å; I971-Y1008 HydrophobicContact CD1-CE1 4.29Å; I971-V1075 HydrophobicContact CG1-CG1 4.33Å
972G92.6Very high90.6Very high1 Ų125.6 Ų25.61%0.0113%0.133CC..Hα-helixtrans-61.2-34.6174.900000114.1M968 I969 F976M968-G972 PolarHBondContact O-N 3.35Å; I969-G972 PolarHBondContact O-N 2.94Å; I969-G972 VanDerWaalsContact O-N 3.16Å; G972-F976 PolarHBondContact O-N 3.05Å
973I92.5Very high90.7Very high81 Ų8122 Ų2242%0.41512%0.117SC..Hα-helixtrans-72.6-39.9175-67.5165.1000111.3I969 A970 I971 F976 N977 V1266I969-I973 HydrophobicContact CG2-CD1 3.96Å; I969-I973 WeakPolarHBondContact O-CG1 3.23Å; I969-I973 PolarHBondContact O-N 3.14Å; A970-I973 PolarHBondContact O-N 3.21Å; I971-I973 VanDerWaalsContact C-N 3.3Å; I971-I973 PolarHBondContact O-N 2.98Å; I973-F976 PolarHBondContact O-N 3.28Å; I973-N977 PolarHBondContact O-N 3.32Å; I973-V1266 HydrophobicContact CG1-CG1 4.43Å
974D92.1Very high90.7Very high5 Ų523.5 Ų23.53%0.02713%0.13CC..Hα-helixtrans-62.9-46.4176.3-171.763000111.5A970 I971 F976 N977 R978 V1075A970-D974 PolarHBondContact O-N 3.22Å; I971-D974 PolarHBondContact O-N 3.24Å; D974-F976 VanDerWaalsContact C-N 3.28Å; D974-F976 PolarHBondContact O-N 3.48Å; D974-N977 PolarHBondContact O-N 2.73Å; D974-N977 VanDerWaalsContact O-N 3.16Å; D974-R978 WeakPolarHBondContact O-CB 3.36Å; D974-R978 VanDerWaalsContact O-CG 3.32Å; D974-R978 WeakPolarHBondContact O-CG 3.5Å; D974-R978 PolarHBondContact O-N 2.87Å; D974-R978 VanDerWaalsContact OD2-CD 3.27Å; D974-R978 WeakPolarHBondContact OD2-CD 3.26Å; D974-V1075 HydrophobicContact CB-CG2 4.15Å
975I92.6Very high90.7Very high1 Ų126.7 Ų26.71%0.00515%0.146CC..Hα-helixtrans-54.5-44172.9-68.1161.2000111.4I971 R978 M979 A983 Q986 C987 L990 I1197 V1201 I1262I971-I975 HydrophobicContact CG2-CD1 3.82Å; I971-I975 HydrophobicContact CG2-CG1 4.45Å; I971-I975 WeakPolarHBondContact O-CD1 3.33Å; I971-I975 VanDerWaalsContact O-CG1 3.25Å; I971-I975 WeakPolarHBondContact O-CG1 3.26Å; I971-I975 PolarHBondContact O-N 3.11Å; I975-R978 PolarHBondContact O-N 3.21Å; I975-M979 PolarHBondContact O-N 2.79Å; I975-M979 VanDerWaalsContact O-N 3.08Å; I975-A983 HydrophobicContact CB-CB 4.5Å; I975-A983 HydrophobicContact CG2-CB 4.3Å; I975-Q986 HydrophobicContact CD1-CB 4Å; I975-Q986 HydrophobicContact CG1-CB 3.67Å; I975-C987 VanDerWaalsContact CG2-SG 3.58Å; I975-L990 HydrophobicContact CD1-CB 4.29Å; I975-L990 HydrophobicContact CD1-CD2 3.76Å; I975-I1197 HydrophobicContact CG2-CG2 4.36Å; I975-V1201 HydrophobicContact CG2-CG2 3.88Å; I975-I1262 HydrophobicContact CG2-CD1 3.77Å
976F90.4Very high90.8Very high78 Ų7826.2 Ų26.234%0.34214%0.144SC..Hα-helixtrans-64.3-39.1179.2166.5-120.4000113.2G972 I973 D974 M979 I1262 V1266G972-F976 PolarHBondContact O-N 3.05Å; I973-F976 PolarHBondContact O-N 3.28Å; D974-F976 VanDerWaalsContact C-N 3.28Å; D974-F976 PolarHBondContact O-N 3.48Å; F976-M979 HydrophobicContact CD2-CE 4.19Å; F976-I1262 HydrophobicContact CB-CD1 4Å; F976-I1262 HydrophobicContact CB-CG1 3.95Å; F976-I1262 HydrophobicContact CD2-CG1 3.8Å; F976-I1262 HydrophobicContact CG-CG1 4.31Å; F976-V1266 HydrophobicContact CB-CG2 4.37Å
977N87.9Confident90.8Very high76 Ų7623.2 Ų23.241%0.40613%0.129SC..Hα-helixtrans-73.8-37.1178.3-71.8-16.1000112.4I973 D974 Y1068I973-N977 PolarHBondContact O-N 3.32Å; D974-N977 PolarHBondContact O-N 2.73Å; D974-N977 VanDerWaalsContact O-N 3.16Å; N977-Y1068 VanDerWaalsContact O-CE1 3.25Å; N977-Y1068 WeakPolarHBondContact O-CE1 3.49Å
978R87.7Confident90.8Very high0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-83.3-51.9-171.3-69.7-178.169.6117.329.9114.1D974 I975 D980 A983 Y1068 D1072D974-R978 WeakPolarHBondContact O-CB 3.36Å; D974-R978 VanDerWaalsContact O-CG 3.32Å; D974-R978 WeakPolarHBondContact O-CG 3.5Å; D974-R978 PolarHBondContact O-N 2.87Å; D974-R978 VanDerWaalsContact OD2-CD 3.27Å; D974-R978 WeakPolarHBondContact OD2-CD 3.26Å; I975-R978 PolarHBondContact O-N 3.21Å; R978-D980 WeakPolarHBondContact CB-OD1 3.35Å; R978-D980 IonicContact CZ-OD1 3.05Å; R978-D980 IonicContact CZ-OD2 2.7Å; R978-D980 IonicContact NE-OD1 3.69Å; R978-D980 PolarHBondContact NE-OD1 3.5Å; R978-D980 VanDerWaalsContact NE-OD1 3.12Å; R978-D980 IonicContact NE-OD2 2.71Å; R978-D980 PolarHBondContact NE-OD2 3.02Å; R978-D980 IonicContact NH2-OD1 2.57Å; R978-D980 IonicContact NH2-OD2 3.02Å; R978-D980 PolarHBondContact NH2-OD2 3.28Å; R978-D980 PolarHBondContact O-N 2.84Å; R978-A983 HydrophobicContact CB-CB 3.91Å; R978-Y1068 HydrophobicContact CG-CD1 4.13Å; R978-Y1068 HydrophobicContact CG-CG 4.4Å; R978-D1072 IonicContact CZ-OD2 3.29Å; R978-D1072 IonicContact NH1-OD1 2.66Å; R978-D1072 PolarHBondContact NH1-OD1 3.42Å; R978-D1072 IonicContact NH1-OD2 3.73Å; R978-D1072 PolarHBondContact NH1-OD2 3.42Å
979M87.2Confident90.8Very high10 Ų1031 Ų315%0.04916%0.16CC..  trans50.623.6-176.2-61-72.6-15400115.6I975 F976 V1201 V1236 I1262I975-M979 PolarHBondContact O-N 2.79Å; I975-M979 VanDerWaalsContact O-N 3.08Å; F976-M979 HydrophobicContact CD2-CE 4.19Å; M979-V1201 HydrophobicContact SD-CG2 4.05Å; M979-V1236 HydrophobicContact CE-CG1 4.47Å; M979-I1262 HydrophobicContact CE-CB 4.3Å; M979-I1262 HydrophobicContact CE-CD1 4.17Å; M979-I1262 HydrophobicContact CE-CG1 3.69Å; M979-I1262 HydrophobicContact CE-CG2 4.07Å; M979-I1262 HydrophobicContact SD-CD1 4.25Å; M979-I1262 HydrophobicContact SD-CG1 4.41Å
980D87.5Confident90.9Very high5 Ų529.8 Ų29.83%0.02715%0.154CC..SBendtrans-106.4-174.9-174.767.9-6.2000112.3R978 L982 A983 A984R978-D980 WeakPolarHBondContact CB-OD1 3.35Å; R978-D980 IonicContact CZ-OD1 3.05Å; R978-D980 IonicContact CZ-OD2 2.7Å; R978-D980 IonicContact NE-OD1 3.69Å; R978-D980 PolarHBondContact NE-OD1 3.5Å; R978-D980 VanDerWaalsContact NE-OD1 3.12Å; R978-D980 IonicContact NE-OD2 2.71Å; R978-D980 PolarHBondContact NE-OD2 3.02Å; R978-D980 IonicContact NH2-OD1 2.57Å; R978-D980 IonicContact NH2-OD2 3.02Å; R978-D980 PolarHBondContact NH2-OD2 3.28Å; R978-D980 PolarHBondContact O-N 2.84Å; D980-L982 PolarHBondContact O-N 3.03Å; D980-L982 PolarHBondContact OD1-N 3.4Å; D980-A983 WeakPolarHBondContact O-CB 3.46Å; D980-A983 PolarHBondContact O-N 3.29Å; D980-A983 VanDerWaalsContact O-N 3.17Å; D980-A983 WeakPolarHBondContact OD1-CB 3.32Å; D980-A983 PolarHBondContact OD1-N 3.01Å; D980-A984 PolarHBondContact O-N 3.12Å
981A87.5Confident90.8Very high23 Ų2330.9 Ų30.919%0.1916%0.159CC..Hα-helixtrans-62.5-30.8175.900000112.9A984 I985 L1054 L1055A981-A984 PolarHBondContact O-N 3.21Å; A981-I985 WeakPolarHBondContact O-CG1 3.37Å; A981-I985 PolarHBondContact O-N 2.97Å; A981-I985 VanDerWaalsContact O-N 3.15Å; A981-L1054 VanDerWaalsContact CB-O 3.28Å; A981-L1054 WeakPolarHBondContact CB-O 3.38Å; A981-L1054 PolarHBondContact N-O 3.23Å; A981-L1055 HydrophobicContact CB-CD2 4.14Å
982L89.3Confident90.7Very high26 Ų2632.5 Ų32.514%0.13617%0.168CC..Hα-helixtrans-71.6-36.3174.2-75.2168.5000111.2D980 A984 I985 Q986 L1015 N1056D980-L982 PolarHBondContact O-N 3.03Å; D980-L982 PolarHBondContact OD1-N 3.4Å; L982-A984 VanDerWaalsContact C-N 3.33Å; L982-A984 PolarHBondContact O-N 3.16Å; L982-I985 HydrophobicContact CD2-CD1 4.33Å; L982-I985 CarbonylContact O-C 3.6Å; L982-I985 WeakPolarHBondContact O-CB 3.31Å; L982-I985 PolarHBondContact O-N 3.2Å; L982-I985 VanDerWaalsContact O-N 3.15Å; L982-Q986 WeakPolarHBondContact O-CG 3.27Å; L982-Q986 PolarHBondContact O-N 3.34Å; L982-L1015 HydrophobicContact CD1-CD1 4.41Å; L982-L1015 HydrophobicContact CD2-CD1 4.05Å; L982-N1056 HydrophobicContact CD1-CB 4.22Å
983A90.2Very high90.7Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-60.5-40.4169.800000111.6I975 R978 D980 I985 Q986 C987 V1201I975-A983 HydrophobicContact CB-CB 4.5Å; I975-A983 HydrophobicContact CG2-CB 4.3Å; R978-A983 HydrophobicContact CB-CB 3.91Å; D980-A983 WeakPolarHBondContact O-CB 3.46Å; D980-A983 PolarHBondContact O-N 3.29Å; D980-A983 VanDerWaalsContact O-N 3.17Å; D980-A983 WeakPolarHBondContact OD1-CB 3.32Å; D980-A983 PolarHBondContact OD1-N 3.01Å; A983-I985 VanDerWaalsContact C-N 3.31Å; A983-I985 PolarHBondContact O-N 3.39Å; A983-Q986 CarbonylContact O-C 3.56Å; A983-Q986 PolarHBondContact O-N 3.35Å; A983-Q986 VanDerWaalsContact O-N 3.16Å; A983-C987 PolarHBondContact O-N 3.2Å; A983-C987 PolarHBondContact O-SG 3.01Å; A983-V1201 HydrophobicContact CB-CG1 4.39Å
984A89.7Confident90.6Very high31 Ų3130 Ų3026%0.25616%0.157SC..Hα-helixtrans-62.6-36.6173.700000112.6D980 A981 L982 C987 F988 V1201D980-A984 PolarHBondContact O-N 3.12Å; A981-A984 PolarHBondContact O-N 3.21Å; L982-A984 VanDerWaalsContact C-N 3.33Å; L982-A984 PolarHBondContact O-N 3.16Å; A984-C987 WeakPolarHBondContact O-CB 3.21Å; A984-C987 PolarHBondContact O-N 3.38Å; A984-F988 PolarHBondContact O-N 3.1Å; A984-V1201 HydrophobicContact CB-CG1 4.1Å
985I91.2Very high90.4Very high80 Ų8034.4 Ų34.441%0.4118%0.181SC..Hα-helixtrans-69-38.9172.2-67.1165.8000111.1A981 L982 A983 C987 F988 W989A981-I985 WeakPolarHBondContact O-CG1 3.37Å; A981-I985 PolarHBondContact O-N 2.97Å; A981-I985 VanDerWaalsContact O-N 3.15Å; L982-I985 HydrophobicContact CD2-CD1 4.33Å; L982-I985 CarbonylContact O-C 3.6Å; L982-I985 WeakPolarHBondContact O-CB 3.31Å; L982-I985 PolarHBondContact O-N 3.2Å; L982-I985 VanDerWaalsContact O-N 3.15Å; A983-I985 VanDerWaalsContact C-N 3.31Å; A983-I985 PolarHBondContact O-N 3.39Å; I985-C987 VanDerWaalsContact C-N 3.34Å; I985-C987 PolarHBondContact O-N 3.25Å; I985-F988 WeakPolarHBondContact O-CB 3.35Å; I985-F988 PolarHBondContact O-N 3.39Å; I985-W989 PolarHBondContact O-N 3.12Å
986Q92Very high90Very high1 Ų137.9 Ų37.91%0.00520%0.199CC..Hα-helixtrans-66.2-33.4173.5-66.1-67.716.600112.3I971 I975 L982 A983 F988 W989 L990 Y1008 M1012I971-Q986 HydrophobicContact CG2-CB 4.24Å; I975-Q986 HydrophobicContact CD1-CB 4Å; I975-Q986 HydrophobicContact CG1-CB 3.67Å; L982-Q986 WeakPolarHBondContact O-CG 3.27Å; L982-Q986 PolarHBondContact O-N 3.34Å; A983-Q986 CarbonylContact O-C 3.56Å; A983-Q986 PolarHBondContact O-N 3.35Å; A983-Q986 VanDerWaalsContact O-N 3.16Å; Q986-F988 VanDerWaalsContact C-N 3.3Å; Q986-F988 PolarHBondContact O-N 3.37Å; Q986-W989 PolarHBondContact O-N 3.4Å; Q986-L990 WeakPolarHBondContact O-CB 3.43Å; Q986-L990 PolarHBondContact O-N 3.38Å; Q986-Y1008 PolarHBondContact OE1-OH 3.44Å; Q986-M1012 PolarHBondContact NE2-SD 2.93Å; Q986-M1012 VanDerWaalsContact NE2-SD 3.36Å
987C92.5Very high89.6Confident1 Ų141.7 Ų41.71%0.00722%0.216CC..Hα-helixtrans-58.3-42.2170.7-71.40000111.3I975 A983 A984 I985 L990 V991 T1198I975-C987 VanDerWaalsContact CG2-SG 3.58Å; A983-C987 PolarHBondContact O-N 3.2Å; A983-C987 PolarHBondContact O-SG 3.01Å; A984-C987 WeakPolarHBondContact O-CB 3.21Å; A984-C987 PolarHBondContact O-N 3.38Å; I985-C987 VanDerWaalsContact C-N 3.34Å; I985-C987 PolarHBondContact O-N 3.25Å; C987-L990 PolarHBondContact O-N 3.05Å; C987-V991 WeakPolarHBondContact O-CB 3.5Å; C987-V991 VanDerWaalsContact O-CG2 3.28Å; C987-V991 WeakPolarHBondContact O-CG2 3.44Å; C987-V991 PolarHBondContact O-N 2.94Å; C987-T1198 HydrophobicContact CB-CG2 4.44Å
988F92.3Very high89.5Confident135 Ų13539.6 Ų39.659%0.59220%0.202SC*.Hα-helixtrans-62.1-44.3176179.4-96.4000111.9A984 I985 Q986 V991 L992A984-F988 PolarHBondContact O-N 3.1Å; I985-F988 WeakPolarHBondContact O-CB 3.35Å; I985-F988 PolarHBondContact O-N 3.39Å; Q986-F988 VanDerWaalsContact C-N 3.3Å; Q986-F988 PolarHBondContact O-N 3.37Å; F988-V991 PolarHBondContact O-N 3.43Å; F988-L992 HydrophobicContact CE1-CD1 4.13Å; F988-L992 HydrophobicContact CZ-CD1 4.38Å; F988-L992 VanDerWaalsContact O-CB 3.32Å; F988-L992 WeakPolarHBondContact O-CB 3.47Å; F988-L992 PolarHBondContact O-N 3.25Å
989W93Very high89.4Confident47 Ų4742.3 Ų42.318%0.17822%0.219CC..Hα-helixtrans-61.5-43.2173.3-73.4118.1000112.5I985 Q986 L992 F993 I1004 Y1008 Y1011I985-W989 PolarHBondContact O-N 3.12Å; Q986-W989 PolarHBondContact O-N 3.4Å; W989-L992 HydrophobicContact CE3-CD2 4.48Å; W989-L992 PolarHBondContact O-N 3.31Å; W989-F993 HydrophobicContact CB-CD2 4.49Å; W989-F993 HydrophobicContact CB-CE2 3.96Å; W989-F993 HydrophobicContact CB-CZ 4.33Å; W989-F993 HydrophobicContact CD2-CZ 4.34Å; W989-F993 AromaticContact CE3-CE1 3.99Å; W989-F993 HydrophobicContact CE3-CE1 3.99Å; W989-F993 HydrophobicContact CE3-CE2 4.46Å; W989-F993 AromaticContact CE3-CZ 3.68Å; W989-F993 HydrophobicContact CE3-CZ 3.68Å; W989-F993 HydrophobicContact CZ3-CE1 4.48Å; W989-F993 HydrophobicContact CZ3-CZ 4.41Å; W989-F993 WeakPolarHBondContact O-CD2 3.49Å; W989-F993 WeakPolarHBondContact O-CG 3.41Å; W989-F993 PolarHBondContact O-N 3.14Å; W989-I1004 HydrophobicContact CH2-CG2 4.46Å; W989-I1004 HydrophobicContact CZ3-CG2 3.72Å; W989-Y1008 HydrophobicContact CB-CE2 4.29Å; W989-Y1008 HydrophobicContact CD2-CD2 4.02Å; W989-Y1008 HydrophobicContact CD2-CE2 4.47Å; W989-Y1008 HydrophobicContact CE3-CD2 4.43Å; W989-Y1008 HydrophobicContact CG-CD2 4.09Å; W989-Y1008 HydrophobicContact CG-CE2 4.06Å; W989-Y1011 AromaticContact NE1-CE1 3.94Å
990L93.5Very high89.5Confident4 Ų446.3 Ų46.32%0.02124%0.236CC..Hα-helixtrans-62.2-45178.4-177.461.5000112.1M968 I971 I975 Q986 C987 F993 A994 L1194 L1269M968-L990 HydrophobicContact CB-CD1 4.09Å; M968-L990 HydrophobicContact CG-CD1 4.48Å; I971-L990 HydrophobicContact CG2-CB 4.06Å; I971-L990 HydrophobicContact CG2-CD1 4.37Å; I975-L990 HydrophobicContact CD1-CB 4.29Å; I975-L990 HydrophobicContact CD1-CD2 3.76Å; Q986-L990 WeakPolarHBondContact O-CB 3.43Å; Q986-L990 PolarHBondContact O-N 3.38Å; C987-L990 PolarHBondContact O-N 3.05Å; L990-F993 PolarHBondContact O-N 3.18Å; L990-A994 VanDerWaalsContact O-CB 3.23Å; L990-A994 WeakPolarHBondContact O-CB 3.25Å; L990-A994 PolarHBondContact O-N 3.03Å; L990-L1194 HydrophobicContact CD2-CD2 4.3Å; L990-L1194 HydrophobicContact CG-CD2 4.11Å; L990-L1269 HydrophobicContact CD2-CD2 3.92Å
991V92.2Very high89.6Confident43 Ų4346.1 Ų46.126%0.26124%0.235SC..Hα-helixtrans-60.7-44.8173.8171.30000110.7C987 F988 F993 A994 L995 L1194C987-V991 WeakPolarHBondContact O-CB 3.5Å; C987-V991 VanDerWaalsContact O-CG2 3.28Å; C987-V991 WeakPolarHBondContact O-CG2 3.44Å; C987-V991 PolarHBondContact O-N 2.94Å; F988-V991 PolarHBondContact O-N 3.43Å; V991-F993 VanDerWaalsContact C-N 3.34Å; V991-F993 PolarHBondContact O-N 3.11Å; V991-A994 PolarHBondContact O-N 2.9Å; V991-L995 HydrophobicContact CG1-CD1 3.76Å; V991-L995 HydrophobicContact CG1-CG 4.41Å; V991-L995 WeakPolarHBondContact O-CB 3.33Å; V991-L995 WeakPolarHBondContact O-CG 3.42Å; V991-L995 PolarHBondContact O-N 3.2Å; V991-L995 VanDerWaalsContact O-N 3.13Å; V991-L1194 HydrophobicContact CG2-CB 4.22Å; V991-L1194 HydrophobicContact CG2-CD2 4.46Å
992L92Very high89.7Confident35 Ų3548.6 Ų48.618%0.18324%0.239CC..Hα-helixtrans-64.3-35.6178.6-173.1149.2000112.4F988 W989 N996 F1000 I1004F988-L992 HydrophobicContact CE1-CD1 4.13Å; F988-L992 HydrophobicContact CZ-CD1 4.38Å; F988-L992 VanDerWaalsContact O-CB 3.32Å; F988-L992 WeakPolarHBondContact O-CB 3.47Å; F988-L992 PolarHBondContact O-N 3.25Å; W989-L992 HydrophobicContact CE3-CD2 4.48Å; W989-L992 PolarHBondContact O-N 3.31Å; L992-N996 WeakPolarHBondContact O-CB 3.42Å; L992-N996 PolarHBondContact O-ND2 3.35Å; L992-F1000 HydrophobicContact CD2-CE1 4.17Å; L992-I1004 HydrophobicContact CD2-CD1 4.09Å; L992-I1004 HydrophobicContact CD2-CG2 4.35Å
993F92.1Very high89.7Confident5 Ų556.3 Ų56.32%0.02227%0.267CS..Hα-helixtrans-78.4-40.2176.7-59.6-31.9000112.9M968 I971 W989 L990 V991 V1001 I1004 W1005 Y1008M968-F993 HydrophobicContact CG-CB 4.28Å; M968-F993 HydrophobicContact SD-CB 4.05Å; I971-F993 HydrophobicContact CD1-CD2 4.1Å; I971-F993 HydrophobicContact CD1-CE2 4.04Å; W989-F993 HydrophobicContact CB-CD2 4.49Å; W989-F993 HydrophobicContact CB-CE2 3.96Å; W989-F993 HydrophobicContact CB-CZ 4.33Å; W989-F993 HydrophobicContact CD2-CZ 4.34Å; W989-F993 AromaticContact CE3-CE1 3.99Å; W989-F993 HydrophobicContact CE3-CE1 3.99Å; W989-F993 HydrophobicContact CE3-CE2 4.46Å; W989-F993 AromaticContact CE3-CZ 3.68Å; W989-F993 HydrophobicContact CE3-CZ 3.68Å; W989-F993 HydrophobicContact CZ3-CE1 4.48Å; W989-F993 HydrophobicContact CZ3-CZ 4.41Å; W989-F993 WeakPolarHBondContact O-CD2 3.49Å; W989-F993 WeakPolarHBondContact O-CG 3.41Å; W989-F993 PolarHBondContact O-N 3.14Å; L990-F993 PolarHBondContact O-N 3.18Å; V991-F993 VanDerWaalsContact C-N 3.34Å; V991-F993 PolarHBondContact O-N 3.11Å; F993-V1001 HydrophobicContact CD1-CG1 3.81Å; F993-V1001 HydrophobicContact CD1-CG2 4.36Å; F993-V1001 HydrophobicContact CE1-CG1 4.38Å; F993-V1001 HydrophobicContact CG-CG1 4.31Å; F993-I1004 HydrophobicContact CE1-CG2 4.21Å; F993-W1005 AromaticContact CD2-CZ3 3.94Å; F993-W1005 HydrophobicContact CD2-CZ3 3.94Å; F993-W1005 HydrophobicContact CE1-CE3 4.31Å; F993-W1005 HydrophobicContact CE1-CZ3 4.37Å; F993-W1005 HydrophobicContact CE2-CE3 4.4Å; F993-W1005 AromaticContact CE2-CZ3 3.79Å; F993-W1005 HydrophobicContact CE2-CZ3 3.79Å; F993-W1005 HydrophobicContact CG-CZ3 4.31Å; F993-W1005 HydrophobicContact CZ-CE3 4.17Å; F993-W1005 HydrophobicContact CZ-CZ3 4.03Å; F993-Y1008 HydrophobicContact CE2-CD2 4.06Å; F993-Y1008 HydrophobicContact CE2-CE2 4.25Å; F993-Y1008 HydrophobicContact CE2-CG 4.24Å; F993-Y1008 AromaticContact CZ-CD2 3.9Å; F993-Y1008 HydrophobicContact CZ-CD2 3.9Å; F993-Y1008 AromaticContact CZ-CG 3.94Å; F993-Y1008 HydrophobicContact CZ-CG 3.94Å
994A89.8Confident89.8Confident23 Ų2358 Ų5819%0.1928%0.275CS..Hα-helixtrans-76-31.7-17400000114.2M968 L990 V991 L1194M968-A994 HydrophobicContact SD-CB 4.47Å; L990-A994 VanDerWaalsContact O-CB 3.23Å; L990-A994 WeakPolarHBondContact O-CB 3.25Å; L990-A994 PolarHBondContact O-N 3.03Å; V991-A994 PolarHBondContact O-N 2.9Å; A994-L1194 HydrophobicContact CB-CD1 3.78Å; A994-L1194 HydrophobicContact CB-CD2 4.42Å
995L87.2Confident89.9Confident98 Ų9856.5 Ų56.551%0.51326%0.263SS..SBendtrans-88.9-11.1-178.6-62.3-177.8000114.3V991 L1194V991-L995 HydrophobicContact CG1-CD1 3.76Å; V991-L995 HydrophobicContact CG1-CG 4.41Å; V991-L995 WeakPolarHBondContact O-CB 3.33Å; V991-L995 WeakPolarHBondContact O-CG 3.42Å; V991-L995 PolarHBondContact O-N 3.2Å; V991-L995 VanDerWaalsContact O-N 3.13Å; L995-L1194 HydrophobicContact CD2-CD1 3.98Å; L995-L1194 HydrophobicContact CG-CD1 4.17Å
996N85.6Confident89.9Confident74 Ų7455.3 Ų55.340%0.39626%0.259SS..SBendtrans-106.6158.7-174.3-76.4-59.4000114L992 F1000 V1001L992-N996 WeakPolarHBondContact O-CB 3.42Å; L992-N996 PolarHBondContact O-ND2 3.35Å; N996-F1000 HydrophobicContact CB-CD1 3.64Å; N996-F1000 HydrophobicContact CB-CE1 4.25Å; N996-F1000 HydrophobicContact CB-CG 4.44Å; N996-V1001 HydrophobicContact CB-CG2 4.48Å
997K81.9Confident89.9Confident159 Ų15961.9 Ų61.969%0.69129%0.288SS*.  trans-69.5144.7177.4-62.8-173179.5-173.60111.8V999 F1000 V1001K997-V999 PolarHBondContact O-N 2.83Å; K997-F1000 WeakPolarHBondContact O-CB 3.31Å; K997-F1000 PolarHBondContact O-N 3.02Å; K997-V1001 PolarHBondContact O-N 2.86Å
998R86Confident90Very high32 Ų3261.9 Ų61.912%0.12129%0.288CS..Hα-helixtrans-46.3-40.6-179.9-171179.4-176.2107.31.3114.4L964 F1000 V1001 R1002 E1089 N1093L964-R998 HydrophobicContact CD2-CG 4.15Å; R998-F1000 VanDerWaalsContact C-N 3.31Å; R998-F1000 PolarHBondContact O-N 3.16Å; R998-V1001 PolarHBondContact O-N 3.04Å; R998-R1002 WeakPolarHBondContact O-CB 3.01Å; R998-R1002 PolarHBondContact O-N 3.45Å; R998-E1089 IonicContact CZ-OE1 2.66Å; R998-E1089 IonicContact CZ-OE2 2.61Å; R998-E1089 IonicContact NE-OE1 2.88Å; R998-E1089 PolarHBondContact NE-OE1 3.21Å; R998-E1089 IonicContact NE-OE2 2.85Å; R998-E1089 VanDerWaalsContact NH2-CD 3.32Å; R998-E1089 IonicContact NH2-OE1 2.75Å; R998-E1089 PolarHBondContact NH2-OE1 3.07Å; R998-E1089 VanDerWaalsContact NH2-OE1 3.11Å; R998-E1089 IonicContact NH2-OE2 3.62Å; R998-E1089 PolarHBondContact NH2-OE2 3.28Å; R998-N1093 PolarHBondContact NH2-ND2 3.23Å
999V84.5Confident90Very high57 Ų5756 Ų5635%0.34526%0.263SS..Hα-helixtrans-61.5-35.8179.1-179.20000112.8K997K997-V999 PolarHBondContact O-N 2.83Å
1000F88.9Confident89.9Confident93 Ų9358 Ų5841%0.40828%0.276SS..Hα-helixtrans-72.1-47.6176.5-179.1-103.3000110.7L992 N996 K997 R998 R1002 R1003 I1004L992-F1000 HydrophobicContact CD2-CE1 4.17Å; N996-F1000 HydrophobicContact CB-CD1 3.64Å; N996-F1000 HydrophobicContact CB-CE1 4.25Å; N996-F1000 HydrophobicContact CB-CG 4.44Å; K997-F1000 WeakPolarHBondContact O-CB 3.31Å; K997-F1000 PolarHBondContact O-N 3.02Å; R998-F1000 VanDerWaalsContact C-N 3.31Å; R998-F1000 PolarHBondContact O-N 3.16Å; F1000-R1002 VanDerWaalsContact C-N 3.31Å; F1000-R1002 PolarHBondContact O-N 3.25Å; F1000-R1003 PolarHBondContact O-N 3.41Å; F1000-I1004 HydrophobicContact CD1-CD1 3.99Å; F1000-I1004 HydrophobicContact CE1-CD1 3.39Å; F1000-I1004 HydrophobicContact CE2-CD1 3.98Å; F1000-I1004 HydrophobicContact CZ-CD1 3.38Å; F1000-I1004 PolarHBondContact O-N 3Å
1001V90.3Very high89.9Confident1 Ų160.5 Ų60.51%0.00629%0.286CS..Hα-helixtrans-56.5-43.7176.6-178.10000111.4L964 F993 N996 K997 R998 R1003 I1004 W1005L964-V1001 HydrophobicContact CD1-CG1 3.86Å; F993-V1001 HydrophobicContact CD1-CG1 3.81Å; F993-V1001 HydrophobicContact CD1-CG2 4.36Å; F993-V1001 HydrophobicContact CE1-CG1 4.38Å; F993-V1001 HydrophobicContact CG-CG1 4.31Å; N996-V1001 HydrophobicContact CB-CG2 4.48Å; K997-V1001 PolarHBondContact O-N 2.86Å; R998-V1001 PolarHBondContact O-N 3.04Å; V1001-R1003 VanDerWaalsContact C-N 3.25Å; V1001-R1003 PolarHBondContact O-N 3.49Å; V1001-I1004 PolarHBondContact O-N 3.31Å; V1001-I1004 VanDerWaalsContact O-N 3.14Å; V1001-W1005 HydrophobicContact CG1-CE3 3.8Å; V1001-W1005 HydrophobicContact CG1-CZ3 4.15Å; V1001-W1005 WeakPolarHBondContact O-CB 3.02Å; V1001-W1005 PolarHBondContact O-N 3.44Å
1002R89.8Confident89.9Confident75 Ų7558.4 Ų58.428%0.28327%0.273SS..Hα-helixtrans-55.6-34.5176.7179.6169.963.8-176.1-7.8113.6R998 F1000 F1086R998-R1002 WeakPolarHBondContact O-CB 3.01Å; R998-R1002 PolarHBondContact O-N 3.45Å; F1000-R1002 VanDerWaalsContact C-N 3.31Å; F1000-R1002 PolarHBondContact O-N 3.25Å; R1002-F1086 HydrophobicContact CB-CD1 4.21Å; R1002-F1086 HydrophobicContact CB-CE1 4.21Å; R1002-F1086 HydrophobicContact CB-CG 4.47Å; R1002-F1086 HydrophobicContact CB-CZ 4.47Å; R1002-F1086 HydrophobicContact CG-CB 4.14Å; R1002-F1086 HydrophobicContact CG-CD1 3.95Å; R1002-F1086 HydrophobicContact CG-CE1 4.47Å; R1002-F1086 HydrophobicContact CG-CG 4.01Å
1003R89.1Confident89.8Confident189 Ų18957.6 Ų57.671%0.71327%0.272SS*.Hα-helixtrans-75.8-39.7178.1-67.7-178.8-177.9173.61.4112F1000 V1001F1000-R1003 PolarHBondContact O-N 3.41Å; V1001-R1003 VanDerWaalsContact C-N 3.25Å; V1001-R1003 PolarHBondContact O-N 3.49Å
1004I91.7Very high89.8Confident34 Ų3462.2 Ų62.217%0.17430%0.296CS..Hα-helixtrans-78.4-25.6-176.7-69.1179000112.3W989 L992 F993 F1000 V1001 V1006 F1007 Y1008W989-I1004 HydrophobicContact CH2-CG2 4.46Å; W989-I1004 HydrophobicContact CZ3-CG2 3.72Å; L992-I1004 HydrophobicContact CD2-CD1 4.09Å; L992-I1004 HydrophobicContact CD2-CG2 4.35Å; F993-I1004 HydrophobicContact CE1-CG2 4.21Å; F1000-I1004 HydrophobicContact CD1-CD1 3.99Å; F1000-I1004 HydrophobicContact CE1-CD1 3.39Å; F1000-I1004 HydrophobicContact CE2-CD1 3.98Å; F1000-I1004 HydrophobicContact CZ-CD1 3.38Å; F1000-I1004 PolarHBondContact O-N 3Å; V1001-I1004 PolarHBondContact O-N 3.31Å; V1001-I1004 VanDerWaalsContact O-N 3.14Å; I1004-V1006 PolarHBondContact O-N 3.26Å; I1004-F1007 WeakPolarHBondContact O-CB 3.48Å; I1004-F1007 PolarHBondContact O-N 3.25Å; I1004-Y1008 PolarHBondContact O-N 3.5Å
1005W93.2Very high89.9Confident0 Ų062 Ų620%029%0.291CS..Hα-helixtrans-54.6-29.9-175.1-156.8-96.8000115.3L964 T967 F993 V1001 F1007 Y1008 V1009 A1079 Q1082 F1086L964-W1005 HydrophobicContact CD1-CH2 4.41Å; L964-W1005 HydrophobicContact CD1-CZ3 4.01Å; T967-W1005 HydrophobicContact CG2-CH2 4.35Å; T967-W1005 HydrophobicContact CG2-CZ2 4Å; T967-W1005 VanDerWaalsContact OG1-CH2 3.26Å; T967-W1005 WeakPolarHBondContact OG1-CH2 3.49Å; F993-W1005 AromaticContact CD2-CZ3 3.94Å; F993-W1005 HydrophobicContact CD2-CZ3 3.94Å; F993-W1005 HydrophobicContact CE1-CE3 4.31Å; F993-W1005 HydrophobicContact CE1-CZ3 4.37Å; F993-W1005 HydrophobicContact CE2-CE3 4.4Å; F993-W1005 AromaticContact CE2-CZ3 3.79Å; F993-W1005 HydrophobicContact CE2-CZ3 3.79Å; F993-W1005 HydrophobicContact CG-CZ3 4.31Å; F993-W1005 HydrophobicContact CZ-CE3 4.17Å; F993-W1005 HydrophobicContact CZ-CZ3 4.03Å; V1001-W1005 HydrophobicContact CG1-CE3 3.8Å; V1001-W1005 HydrophobicContact CG1-CZ3 4.15Å; V1001-W1005 WeakPolarHBondContact O-CB 3.02Å; V1001-W1005 PolarHBondContact O-N 3.44Å; W1005-F1007 VanDerWaalsContact C-N 3.34Å; W1005-Y1008 HydrophobicContact CZ2-CD1 4.45Å; W1005-Y1008 PolarHBondContact O-N 3.44Å; W1005-V1009 PolarHBondContact O-N 3.06Å; W1005-A1079 HydrophobicContact CZ2-CB 3.97Å; W1005-A1079 PolarHBondContact NE1-O 3.48Å; W1005-Q1082 HydrophobicContact CZ2-CB 4.13Å; W1005-Q1082 HydrophobicContact CZ2-CG 3.96Å; W1005-F1086 HydrophobicContact CB-CD2 4.03Å; W1005-F1086 HydrophobicContact CB-CE2 3.93Å; W1005-F1086 AromaticContact CD1-CD2 3.89Å; W1005-F1086 HydrophobicContact CD2-CD2 4.4Å; W1005-F1086 AromaticContact CD2-CE2 3.78Å; W1005-F1086 HydrophobicContact CD2-CE2 3.78Å; W1005-F1086 HydrophobicContact CE3-CE2 4.23Å; W1005-F1086 AromaticContact CG-CD2 3.82Å; W1005-F1086 HydrophobicContact CG-CD2 3.82Å; W1005-F1086 AromaticContact CG-CE2 3.62Å; W1005-F1086 HydrophobicContact CG-CE2 3.62Å
1006V90.9Very high90.1Very high56 Ų5657.4 Ų57.434%0.33927%0.267SS..Hα-helixtrans-63.1-42.4177.2-177.40000111I1004 Y1008 V1009 I1010 L1083I1004-V1006 PolarHBondContact O-N 3.26Å; V1006-Y1008 VanDerWaalsContact C-N 3.34Å; V1006-V1009 PolarHBondContact O-N 3.24Å; V1006-I1010 HydrophobicContact CG1-CD1 4.08Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.33Å; V1006-I1010 PolarHBondContact O-N 3.31Å; V1006-I1010 VanDerWaalsContact O-N 3.12Å; V1006-L1083 HydrophobicContact CG2-CD1 3.92Å
1007F92.7Very high90.4Very high138 Ų13854.8 Ų54.861%0.60525%0.254SS*.Hα-helixtrans-66.8-36.9177.4-56.9-67.8000111.5I1004 W1005 I1010 Y1011I1004-F1007 WeakPolarHBondContact O-CB 3.48Å; I1004-F1007 PolarHBondContact O-N 3.25Å; W1005-F1007 VanDerWaalsContact C-N 3.34Å; F1007-I1010 PolarHBondContact O-N 3.2Å; F1007-Y1011 WeakPolarHBondContact O-CB 3.45Å; F1007-Y1011 PolarHBondContact O-N 3.07Å
1008Y92.8Very high90.8Very high1 Ų152.1 Ų52.10%0.00425%0.247CC..Hα-helixtrans-64.2-41.6175.7-175.2-101.1000112.8I971 Q986 W989 F993 I1004 W1005 V1006 Y1011 M1012 V1075 A1079I971-Y1008 HydrophobicContact CD1-CE1 4.29Å; Q986-Y1008 PolarHBondContact OE1-OH 3.44Å; W989-Y1008 HydrophobicContact CB-CE2 4.29Å; W989-Y1008 HydrophobicContact CD2-CD2 4.02Å; W989-Y1008 HydrophobicContact CD2-CE2 4.47Å; W989-Y1008 HydrophobicContact CE3-CD2 4.43Å; W989-Y1008 HydrophobicContact CG-CD2 4.09Å; W989-Y1008 HydrophobicContact CG-CE2 4.06Å; F993-Y1008 HydrophobicContact CE2-CD2 4.06Å; F993-Y1008 HydrophobicContact CE2-CE2 4.25Å; F993-Y1008 HydrophobicContact CE2-CG 4.24Å; F993-Y1008 AromaticContact CZ-CD2 3.9Å; F993-Y1008 HydrophobicContact CZ-CD2 3.9Å; F993-Y1008 AromaticContact CZ-CG 3.94Å; F993-Y1008 HydrophobicContact CZ-CG 3.94Å; I1004-Y1008 PolarHBondContact O-N 3.5Å; W1005-Y1008 HydrophobicContact CZ2-CD1 4.45Å; W1005-Y1008 PolarHBondContact O-N 3.44Å; V1006-Y1008 VanDerWaalsContact C-N 3.34Å; Y1008-Y1011 HydrophobicContact CD2-CD1 4.24Å; Y1008-Y1011 HydrophobicContact CE2-CD1 4.25Å; Y1008-Y1011 WeakPolarHBondContact O-CB 3.33Å; Y1008-Y1011 PolarHBondContact O-N 2.83Å; Y1008-M1012 HydrophobicContact CD1-CG 4.43Å; Y1008-M1012 HydrophobicContact CE1-CG 3.91Å; Y1008-M1012 HydrophobicContact CE2-CG 4.34Å; Y1008-M1012 WeakPolarHBondContact O-CG 3.43Å; Y1008-M1012 PolarHBondContact O-N 3.32Å; Y1008-V1075 HydrophobicContact CE1-CG1 4.16Å; Y1008-V1075 WeakPolarHBondContact OH-CG1 3.22Å; Y1008-A1079 HydrophobicContact CD1-CB 4.14Å; Y1008-A1079 HydrophobicContact CE1-CB 4.04Å
1009V92.6Very high91Very high11 Ų1150.8 Ų50.87%0.06724%0.242CC..Hα-helixtrans-66.3-39.2175.7174.70000111.7W1005 V1006 A1013 A1079 L1083W1005-V1009 PolarHBondContact O-N 3.06Å; V1006-V1009 PolarHBondContact O-N 3.24Å; V1009-A1013 VanDerWaalsContact O-CB 3.24Å; V1009-A1013 WeakPolarHBondContact O-CB 3.3Å; V1009-A1013 PolarHBondContact O-N 3.2Å; V1009-A1079 HydrophobicContact CG2-CB 3.88Å; V1009-A1079 WeakPolarHBondContact CG2-O 3.36Å; V1009-L1083 HydrophobicContact CB-CD2 4.25Å; V1009-L1083 HydrophobicContact CG1-CD2 4.13Å; V1009-L1083 HydrophobicContact CG2-CB 4.2Å; V1009-L1083 HydrophobicContact CG2-CD2 4.19Å
1010I91.8Very high91.3Very high89 Ų8948.1 Ų48.146%0.45623%0.226SC..Hα-helixtrans-65.6-43.4175.4-67.6167.6000110.6V1006 F1007 A1013 I1014V1006-I1010 HydrophobicContact CG1-CD1 4.08Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.33Å; V1006-I1010 PolarHBondContact O-N 3.31Å; V1006-I1010 VanDerWaalsContact O-N 3.12Å; F1007-I1010 PolarHBondContact O-N 3.2Å; I1010-A1013 PolarHBondContact O-N 3Å; I1010-I1014 HydrophobicContact CG2-CD1 3.79Å; I1010-I1014 WeakPolarHBondContact O-CG1 3.32Å; I1010-I1014 PolarHBondContact O-N 3.14Å
1011Y92.5Very high91.3Very high57 Ų5748.4 Ų48.422%0.22423%0.227CC..Hα-helixtrans-54.6-54.1174.1165.9-110000111.3W989 F1007 Y1008 A1013 I1014 L1015W989-Y1011 AromaticContact NE1-CE1 3.94Å; F1007-Y1011 WeakPolarHBondContact O-CB 3.45Å; F1007-Y1011 PolarHBondContact O-N 3.07Å; Y1008-Y1011 HydrophobicContact CD2-CD1 4.24Å; Y1008-Y1011 HydrophobicContact CE2-CD1 4.25Å; Y1008-Y1011 WeakPolarHBondContact O-CB 3.33Å; Y1008-Y1011 PolarHBondContact O-N 2.83Å; Y1011-A1013 VanDerWaalsContact C-N 3.35Å; Y1011-A1013 PolarHBondContact O-N 3.21Å; Y1011-I1014 PolarHBondContact O-N 3.08Å; Y1011-L1015 HydrophobicContact CE1-CD2 4.19Å; Y1011-L1015 HydrophobicContact CE2-CD2 4.46Å; Y1011-L1015 VanDerWaalsContact O-CB 3.26Å; Y1011-L1015 WeakPolarHBondContact O-CB 3.44Å; Y1011-L1015 PolarHBondContact O-N 3.41Å
1012M92.3Very high91.1Very high0 Ų049.8 Ų49.80%024%0.236CC..Hα-helixtrans-64.3-35.7178.6-67.3-57-59.800113.3Q986 Y1008 I1014 L1015 Y1016 D1072 V1075 L1076Q986-M1012 PolarHBondContact NE2-SD 2.93Å; Q986-M1012 VanDerWaalsContact NE2-SD 3.36Å; Y1008-M1012 HydrophobicContact CD1-CG 4.43Å; Y1008-M1012 HydrophobicContact CE1-CG 3.91Å; Y1008-M1012 HydrophobicContact CE2-CG 4.34Å; Y1008-M1012 WeakPolarHBondContact O-CG 3.43Å; Y1008-M1012 PolarHBondContact O-N 3.32Å; M1012-I1014 VanDerWaalsContact C-N 3.29Å; M1012-I1014 PolarHBondContact O-N 3.28Å; M1012-L1015 HydrophobicContact CE-CD2 4.33Å; M1012-L1015 PolarHBondContact O-N 3.34Å; M1012-L1015 HydrophobicContact SD-CD2 4.07Å; M1012-Y1016 WeakPolarHBondContact O-CB 3.47Å; M1012-Y1016 PolarHBondContact O-N 3.01Å; M1012-D1072 HydrophobicContact CE-CB 4.07Å; M1012-V1075 HydrophobicContact CE-CB 4.16Å; M1012-V1075 HydrophobicContact CE-CG1 3.93Å; M1012-V1075 HydrophobicContact CG-CG1 4.38Å; M1012-V1075 HydrophobicContact SD-CG1 4.34Å; M1012-L1076 HydrophobicContact CB-CB 4.28Å; M1012-L1076 HydrophobicContact CB-CD1 3.92Å
1013A90.7Very high91Very high18 Ų1847 Ų4715%0.14923%0.226CC..Hα-helixtrans-69.7-24.5179.100000113.4V1009 I1010 Y1011 P1017 L1076V1009-A1013 VanDerWaalsContact O-CB 3.24Å; V1009-A1013 WeakPolarHBondContact O-CB 3.3Å; V1009-A1013 PolarHBondContact O-N 3.2Å; I1010-A1013 PolarHBondContact O-N 3Å; Y1011-A1013 VanDerWaalsContact C-N 3.35Å; Y1011-A1013 PolarHBondContact O-N 3.21Å; A1013-P1017 WeakPolarHBondContact O-CD 3.49Å; A1013-P1017 WeakPolarHBondContact O-CG 3.44Å; A1013-L1076 HydrophobicContact CB-CD1 4.03Å
1014I92.2Very high90.9Very high102 Ų10238.8 Ų38.852%0.52320%0.197SC..Hα-helixtrans-89.8-39.8172.9-64.6169.6000110.7I1010 Y1011 M1012 Y1016 P1017 L1018I1010-I1014 HydrophobicContact CG2-CD1 3.79Å; I1010-I1014 WeakPolarHBondContact O-CG1 3.32Å; I1010-I1014 PolarHBondContact O-N 3.14Å; Y1011-I1014 PolarHBondContact O-N 3.08Å; M1012-I1014 VanDerWaalsContact C-N 3.29Å; M1012-I1014 PolarHBondContact O-N 3.28Å; I1014-Y1016 PolarHBondContact O-N 2.87Å; I1014-P1017 VanDerWaalsContact O-CD 3.31Å; I1014-P1017 WeakPolarHBondContact O-CD 3.47Å; I1014-P1017 WeakPolarHBondContact O-CG 3.3Å; I1014-L1018 VanDerWaalsContact O-CB 3.24Å; I1014-L1018 WeakPolarHBondContact O-CB 3.49Å; I1014-L1018 PolarHBondContact O-N 3.23Å; I1014-L1018 VanDerWaalsContact O-N 3.17Å
1015L91.2Very high90.5Very high19 Ų1938.1 Ų38.110%0.09920%0.198CC..Hα-helixtrans-60.2-47.1180-175.269.8000111.6L982 Y1011 M1012 L1018 Q1019L982-L1015 HydrophobicContact CD1-CD1 4.41Å; L982-L1015 HydrophobicContact CD2-CD1 4.05Å; Y1011-L1015 HydrophobicContact CE1-CD2 4.19Å; Y1011-L1015 HydrophobicContact CE2-CD2 4.46Å; Y1011-L1015 VanDerWaalsContact O-CB 3.26Å; Y1011-L1015 WeakPolarHBondContact O-CB 3.44Å; Y1011-L1015 PolarHBondContact O-N 3.41Å; M1012-L1015 HydrophobicContact CE-CD2 4.33Å; M1012-L1015 PolarHBondContact O-N 3.34Å; M1012-L1015 HydrophobicContact SD-CD2 4.07Å; L1015-L1018 PolarHBondContact O-N 3.07Å; L1015-L1018 VanDerWaalsContact O-N 3.16Å; L1015-Q1019 VanDerWaalsContact O-CB 3.25Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.47Å; L1015-Q1019 PolarHBondContact O-N 3.35Å
1016Y91.5Very high89.9Confident1 Ų141.9 Ų41.90%0.00422%0.218CC..Hα-helixtrans-56-52.8-176.8-179.3-110.9000114.2V816 M1012 I1014 F1020 L1069 D1072 F1073V816-Y1016 HydrophobicContact CG1-CD1 4.22Å; V816-Y1016 HydrophobicContact CG1-CE1 3.94Å; M1012-Y1016 WeakPolarHBondContact O-CB 3.47Å; M1012-Y1016 PolarHBondContact O-N 3.01Å; I1014-Y1016 PolarHBondContact O-N 2.87Å; Y1016-F1020 PolarHBondContact O-N 3.49Å; Y1016-F1020 VanDerWaalsContact O-N 3.16Å; Y1016-L1069 HydrophobicContact CD2-CD2 4.4Å; Y1016-L1069 HydrophobicContact CE2-CB 4.3Å; Y1016-L1069 HydrophobicContact CE2-CD2 4.22Å; Y1016-L1069 WeakPolarHBondContact CE2-O 3.41Å; Y1016-D1072 HydrophobicContact CD2-CB 4.3Å; Y1016-F1073 HydrophobicContact CD2-CB 4.45Å; Y1016-F1073 HydrophobicContact CE1-CD2 4.4Å; Y1016-F1073 HydrophobicContact CE2-CB 3.87Å
1017P91.1Very high89.2Confident19 Ų1940.5 Ų40.512%0.12321%0.211CC..Hα-helixtrans-67.2-36.8173.725.3-32.9000112.8V816 A1013 I1014 Q1019 F1020 F1021V816-P1017 HydrophobicContact CG1-CB 4.17Å; A1013-P1017 WeakPolarHBondContact O-CD 3.49Å; A1013-P1017 WeakPolarHBondContact O-CG 3.44Å; I1014-P1017 VanDerWaalsContact O-CD 3.31Å; I1014-P1017 WeakPolarHBondContact O-CD 3.47Å; I1014-P1017 WeakPolarHBondContact O-CG 3.3Å; P1017-Q1019 PolarHBondContact O-N 3.27Å; P1017-F1020 PolarHBondContact O-N 2.94Å; P1017-F1021 HydrophobicContact CB-CE2 4.35Å; P1017-F1021 WeakPolarHBondContact O-CD2 3.36Å; P1017-F1021 PolarHBondContact O-N 3.05Å
1018L90.5Very high88.1Confident103 Ų10334.8 Ų34.854%0.53919%0.187SC..Hα-helixtrans-62.6-41.6179.2-167160.1000111.7I1014 L1015 F1021 S1022I1014-L1018 VanDerWaalsContact O-CB 3.24Å; I1014-L1018 WeakPolarHBondContact O-CB 3.49Å; I1014-L1018 PolarHBondContact O-N 3.23Å; I1014-L1018 VanDerWaalsContact O-N 3.17Å; L1015-L1018 PolarHBondContact O-N 3.07Å; L1015-L1018 VanDerWaalsContact O-N 3.16Å; L1018-F1021 WeakPolarHBondContact O-CB 3.47Å; L1018-F1021 PolarHBondContact O-N 2.94Å; L1018-S1022 PolarHBondContact O-N 3.31Å
1019Q90.5Very high86.9Confident3 Ų337.8 Ų37.81%0.01420%0.203CC..Hα-helixtrans-65.6-40.8174.9-172.5178.1-6.400111.5L1015 P1017 F1021 S1022 Y1023 L1069 D1072L1015-Q1019 VanDerWaalsContact O-CB 3.25Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.47Å; L1015-Q1019 PolarHBondContact O-N 3.35Å; P1017-Q1019 PolarHBondContact O-N 3.27Å; Q1019-F1021 PolarHBondContact O-N 3.42Å; Q1019-S1022 WeakPolarHBondContact O-CB 3.37Å; Q1019-S1022 PolarHBondContact O-N 3.4Å; Q1019-Y1023 HydrophobicContact CG-CE1 3.98Å; Q1019-Y1023 HydrophobicContact CG-CE2 3.93Å; Q1019-Y1023 PolarHBondContact NE2-OH 3.2Å; Q1019-Y1023 WeakPolarHBondContact O-CD1 3.48Å; Q1019-Y1023 VanDerWaalsContact O-CG 3.29Å; Q1019-Y1023 PolarHBondContact O-N 3.38Å; Q1019-L1069 HydrophobicContact CB-CD2 4.36Å; Q1019-L1069 HydrophobicContact CG-CD2 4Å; Q1019-D1072 VanDerWaalsContact CD-OD2 3.29Å; Q1019-D1072 PolarHBondContact NE2-OD2 2.98Å; Q1019-D1072 PolarHBondContact OE1-OD2 3.29Å
1020F90.8Very high85.8Confident2 Ų239.8 Ų39.81%0.00922%0.218CC..Hα-helixtrans-61.8-41.6172-169.5-93.1000112.1I804 I808 I813 V816 Y1016 P1017 Y1023 V1024 L1069I804-F1020 HydrophobicContact CG2-CD2 4.22Å; I804-F1020 HydrophobicContact CG2-CE2 3.42Å; I804-F1020 VanDerWaalsContact CG2-CE2 3.42Å; I804-F1020 HydrophobicContact CG2-CZ 3.61Å; I808-F1020 HydrophobicContact CB-CE2 4.41Å; I808-F1020 HydrophobicContact CG1-CE2 4.36Å; I808-F1020 HydrophobicContact CG2-CE2 4.08Å; I808-F1020 HydrophobicContact CG2-CZ 4.31Å; I813-F1020 HydrophobicContact CG1-CD1 4.36Å; I813-F1020 HydrophobicContact CG1-CE1 4Å; V816-F1020 HydrophobicContact CG1-CB 4.44Å; V816-F1020 HydrophobicContact CG2-CD1 3.82Å; V816-F1020 HydrophobicContact CG2-CD2 4.17Å; V816-F1020 HydrophobicContact CG2-CE1 3.92Å; V816-F1020 HydrophobicContact CG2-CE2 4.27Å; V816-F1020 HydrophobicContact CG2-CG 3.95Å; V816-F1020 HydrophobicContact CG2-CZ 4.15Å; Y1016-F1020 PolarHBondContact O-N 3.49Å; Y1016-F1020 VanDerWaalsContact O-N 3.16Å; P1017-F1020 PolarHBondContact O-N 2.94Å; F1020-Y1023 PolarHBondContact O-N 2.88Å; F1020-V1024 HydrophobicContact CD1-CG2 4.05Å; F1020-V1024 HydrophobicContact CE1-CG2 3.68Å; F1020-V1024 HydrophobicContact CZ-CG2 4.13Å; F1020-V1024 WeakPolarHBondContact O-CG2 3.46Å; F1020-V1024 PolarHBondContact O-N 3.01Å; F1020-L1069 HydrophobicContact CD2-CD1 3.89Å
1021F89.6Confident84.9Confident98 Ų9838.3 Ų38.343%0.4322%0.215SC..Hα-helixtrans-61.4-42.6172.7-73.8-62.7000112.2I813 I817 P1017 L1018 Q1019 Y1023 V1024 G1025I813-F1021 HydrophobicContact CB-CE1 4.45Å; I813-F1021 HydrophobicContact CD1-CD1 4.26Å; I813-F1021 HydrophobicContact CD1-CE1 4.01Å; I813-F1021 HydrophobicContact CG1-CE1 4.15Å; I813-F1021 HydrophobicContact CG2-CE1 3.48Å; I813-F1021 VanDerWaalsContact CG2-CE1 3.48Å; I813-F1021 HydrophobicContact CG2-CZ 3.75Å; I817-F1021 HydrophobicContact CD1-CZ 4.31Å; P1017-F1021 HydrophobicContact CB-CE2 4.35Å; P1017-F1021 WeakPolarHBondContact O-CD2 3.36Å; P1017-F1021 PolarHBondContact O-N 3.05Å; L1018-F1021 WeakPolarHBondContact O-CB 3.47Å; L1018-F1021 PolarHBondContact O-N 2.94Å; Q1019-F1021 PolarHBondContact O-N 3.42Å; F1021-Y1023 VanDerWaalsContact C-N 3.3Å; F1021-Y1023 PolarHBondContact O-N 3.33Å; F1021-V1024 PolarHBondContact O-N 3.37Å; F1021-G1025 PolarHBondContact O-N 2.82Å
1022S86.1Confident84Confident30 Ų3040.1 Ų40.121%0.2123%0.227CC..Hα-helixtrans-61.8-37.3176.5-159.20000112L1018 Q1019 S1058L1018-S1022 PolarHBondContact O-N 3.31Å; Q1019-S1022 WeakPolarHBondContact O-CB 3.37Å; Q1019-S1022 PolarHBondContact O-N 3.4Å; S1022-S1058 WeakPolarHBondContact O-CB 3.2Å
1023Y88.2Confident83.1Confident16 Ų1643.5 Ų43.56%0.06324%0.243CC..Hα-helixtrans-77.6-30.2179.7-64.9-5.8000113.5Q1019 F1020 F1021 N1056 W1064 L1069Q1019-Y1023 HydrophobicContact CG-CE1 3.98Å; Q1019-Y1023 HydrophobicContact CG-CE2 3.93Å; Q1019-Y1023 PolarHBondContact NE2-OH 3.2Å; Q1019-Y1023 WeakPolarHBondContact O-CD1 3.48Å; Q1019-Y1023 VanDerWaalsContact O-CG 3.29Å; Q1019-Y1023 PolarHBondContact O-N 3.38Å; F1020-Y1023 PolarHBondContact O-N 2.88Å; F1021-Y1023 VanDerWaalsContact C-N 3.3Å; F1021-Y1023 PolarHBondContact O-N 3.33Å; Y1023-N1056 WeakPolarHBondContact CE1-OD1 3.34Å; Y1023-N1056 PolarHBondContact OH-OD1 3.37Å; Y1023-W1064 HydrophobicContact CD1-CB 4.14Å; Y1023-W1064 AromaticContact CD1-CD1 3.78Å; Y1023-W1064 AromaticContact CD1-CD2 3.41Å; Y1023-W1064 HydrophobicContact CD1-CD2 3.41Å; Y1023-W1064 VanDerWaalsContact CD1-CD2 3.41Å; Y1023-W1064 AromaticContact CD1-CE2 3.7Å; Y1023-W1064 AromaticContact CD1-CE3 3.88Å; Y1023-W1064 HydrophobicContact CD1-CE3 3.88Å; Y1023-W1064 AromaticContact CD1-CG 3.5Å; Y1023-W1064 HydrophobicContact CD1-CG 3.5Å; Y1023-W1064 VanDerWaalsContact CD1-CG 3.5Å; Y1023-W1064 HydrophobicContact CD1-CZ2 4.4Å; Y1023-W1064 AromaticContact CD1-NE1 3.89Å; Y1023-W1064 HydrophobicContact CD2-CB 3.63Å; Y1023-W1064 HydrophobicContact CD2-CD2 4.49Å; Y1023-W1064 AromaticContact CD2-CG 3.92Å; Y1023-W1064 HydrophobicContact CD2-CG 3.92Å; Y1023-W1064 HydrophobicContact CE1-CB 4.41Å; Y1023-W1064 AromaticContact CE1-CD2 3.49Å; Y1023-W1064 HydrophobicContact CE1-CD2 3.49Å; Y1023-W1064 VanDerWaalsContact CE1-CD2 3.49Å; Y1023-W1064 AromaticContact CE1-CE3 3.42Å; Y1023-W1064 HydrophobicContact CE1-CE3 3.42Å; Y1023-W1064 VanDerWaalsContact CE1-CE3 3.42Å; Y1023-W1064 AromaticContact CE1-CG 3.93Å; Y1023-W1064 HydrophobicContact CE1-CG 3.93Å; Y1023-W1064 HydrophobicContact CE1-CH2 4.44Å; Y1023-W1064 HydrophobicContact CE1-CZ2 4.5Å; Y1023-W1064 AromaticContact CE1-CZ3 3.92Å; Y1023-W1064 HydrophobicContact CE1-CZ3 3.92Å; Y1023-W1064 HydrophobicContact CE2-CB 3.92Å; Y1023-W1064 HydrophobicContact CE2-CG 4.29Å; Y1023-W1064 HydrophobicContact CG-CB 3.76Å; Y1023-W1064 AromaticContact CG-CD1 3.74Å; Y1023-W1064 AromaticContact CG-CD2 3.97Å; Y1023-W1064 HydrophobicContact CG-CD2 3.97Å; Y1023-W1064 AromaticContact CG-CG 3.52Å; Y1023-W1064 HydrophobicContact CG-CG 3.52Å; Y1023-W1064 AromaticContact CZ-CE3 3.8Å; Y1023-L1069 HydrophobicContact CD2-CD1 3.92Å; Y1023-L1069 HydrophobicContact CD2-CD2 4.21Å; Y1023-L1069 HydrophobicContact CD2-CG 4Å; Y1023-L1069 HydrophobicContact CE2-CD1 4.27Å; Y1023-L1069 HydrophobicContact CE2-CD2 4.09Å; Y1023-L1069 HydrophobicContact CE2-CG 3.85Å
1024V86.6Confident82.5Confident17 Ų1743.6 Ų43.610%0.10324%0.24CC..Hα-helixtrans-71-34.8171.3171.60000111.7I808 A810 W881 F1020 F1021I808-V1024 HydrophobicContact CG2-CG2 3.7Å; A810-V1024 HydrophobicContact CB-CG1 4.48Å; W881-V1024 HydrophobicContact CZ2-CG1 4.01Å; W881-V1024 PolarHBondContact NE1-O 3.22Å; F1020-V1024 HydrophobicContact CD1-CG2 4.05Å; F1020-V1024 HydrophobicContact CE1-CG2 3.68Å; F1020-V1024 HydrophobicContact CZ-CG2 4.13Å; F1020-V1024 WeakPolarHBondContact O-CG2 3.46Å; F1020-V1024 PolarHBondContact O-N 3.01Å; F1021-V1024 PolarHBondContact O-N 3.37Å
1025G81.9Confident82Confident20 Ų2042.4 Ų42.421%0.20624%0.239CC..  trans64.3-170176.300000115F1021 Y1034F1021-G1025 PolarHBondContact O-N 2.82Å; G1025-Y1034 WeakPolarHBondContact CA-OH 3.36Å
1026L81.8Confident81.5Confident80 Ų8044.7 Ų44.742%0.41925%0.246SC..SBendtrans-82.5150.5171.1-68.8173.4000110.6Y1034 Y1060L1026-Y1034 HydrophobicContact CB-CE1 4.22Å; L1026-Y1034 HydrophobicContact CD1-CD1 4.33Å; L1026-Y1034 HydrophobicContact CD1-CE1 3.93Å; L1026-Y1034 HydrophobicContact CG-CE1 4.03Å; L1026-Y1034 PolarHBondContact N-OH 3.36Å; L1026-Y1060 WeakPolarHBondContact CB-OH 3.42Å; L1026-Y1060 WeakPolarHBondContact O-CE1 3.14Å
1027P77Confident80.7Confident27 Ų2745.9 Ų45.918%0.17525%0.254CS..  trans-65.7125.9178.526.1-33.9000111.3M878 W881 D1029 S1030M878-P1027 HydrophobicContact SD-CB 3.75Å; M878-P1027 HydrophobicContact SD-CG 4.43Å; W881-P1027 HydrophobicContact CD2-CB 4.1Å; W881-P1027 HydrophobicContact CE3-CB 4.4Å; W881-P1027 HydrophobicContact CG-CB 4.37Å; P1027-D1029 PolarHBondContact O-N 2.95Å; P1027-S1030 WeakPolarHBondContact O-CB 3.38Å; P1027-S1030 PolarHBondContact O-N 3.44Å; P1027-S1030 VanDerWaalsContact O-N 3.16Å; P1027-S1030 PolarHBondContact O-OG 3.39Å
1028P69Low80.1Confident18 Ų1852.1 Ų52.112%0.11728%0.277CS..G310 helixtrans-67-31.1-173.723.6-32.4000114.1I876 S1030 C1031 Y1060I876-P1028 HydrophobicContact CB-CG 4.04Å; I876-P1028 WeakPolarHBondContact O-CG 3.19Å; P1028-S1030 PolarHBondContact O-N 3.01Å; P1028-C1031 PolarHBondContact O-N 2.87Å; P1028-Y1060 HydrophobicContact CB-CD1 3.94Å; P1028-Y1060 HydrophobicContact CB-CE1 3.92Å
1029D67.2Low79.2Confident64 Ų6457.6 Ų57.634%0.34229%0.29SS..G310 helixtrans-59-8.9173.5-77.4-30.6000113.4R864 S877 M878 P1027R864-D1029 IonicContact CZ-OD1 3.79Å; R864-D1029 IonicContact NE-OD1 3.62Å; R864-D1029 PolarHBondContact NE-OD1 2.96Å; R864-D1029 IonicContact NH2-OD1 3.71Å; R864-D1029 PolarHBondContact NH2-OD1 3.28Å; S877-D1029 WeakPolarHBondContact CA-OD2 3.19Å; M878-D1029 WeakPolarHBondContact CB-OD2 3.42Å; M878-D1029 PolarHBondContact N-OD2 2.93Å; P1027-D1029 PolarHBondContact O-N 2.95Å
1030S70.3Confident78.4Confident53 Ų5358.5 Ų58.537%0.37130%0.295SS..G310 helixtrans-84.8-9.4172.568.50000114.9P1027 P1028 I1032P1027-S1030 WeakPolarHBondContact O-CB 3.38Å; P1027-S1030 PolarHBondContact O-N 3.44Å; P1027-S1030 VanDerWaalsContact O-N 3.16Å; P1027-S1030 PolarHBondContact O-OG 3.39Å; P1028-S1030 PolarHBondContact O-N 3.01Å; S1030-I1032 WeakPolarHBondContact O-CG1 3.33Å; S1030-I1032 PolarHBondContact O-N 2.77Å; S1030-I1032 VanDerWaalsContact O-N 3.16Å
1031C72.1Confident77.1Confident57 Ų5763.2 Ų63.239%0.38533%0.326SS..  trans55.525.4177.8-66.40000116.2C871 P1028C871-C1031 HydrophobicContact CB-CB 4.08Å; C871-C1031 WeakPolarHBondContact CB-SG 3.49Å; C871-C1031 WeakPolarHBondContact SG-CB 3.39Å; C871-C1031 CovalentContact SG-SG 2.03Å; C871-C1031 PolarHBondContact SG-SG 3.37Å; P1028-C1031 PolarHBondContact O-N 2.87Å
1032I74.4Confident76.2Confident95 Ų9562.9 Ų62.949%0.48734%0.336SS..  trans-91.2113.2179.2-57.2176.2000109.8S1030 Y1060S1030-I1032 WeakPolarHBondContact O-CG1 3.33Å; S1030-I1032 PolarHBondContact O-N 2.77Å; S1030-I1032 VanDerWaalsContact O-N 3.16Å; I1032-Y1060 VanDerWaalsContact O-CE2 3.31Å; I1032-Y1060 WeakPolarHBondContact O-CE2 3.45Å; I1032-Y1060 PolarHBondContact O-OH 3.09Å
1033E72.2Confident75.6Confident71 Ų7166 Ų6633%0.33234%0.343SS..  trans-68.3141.7171.4-62.9-158.8147.200112.2H873 S1037 Y1038H873-E1033 IonicContact CD2-OE1 2.8Å; H873-E1033 IonicContact CE1-OE1 3.11Å; H873-E1033 IonicContact NE2-OE1 2.73Å; H873-E1033 PolarHBondContact NE2-OE1 2.87Å; E1033-S1037 PolarHBondContact OE2-OG 3.49Å; E1033-Y1038 HydrophobicContact CB-CE2 4.09Å; E1033-Y1038 PolarHBondContact OE2-OH 3.13Å
1034Y78Confident75Confident20 Ų2067.4 Ų67.48%0.07836%0.356CS..  trans-68140.5176.5-67-70.9000111.7G1025 L1026 W1036 S1037 S1058 Y1060G1025-Y1034 WeakPolarHBondContact CA-OH 3.36Å; L1026-Y1034 HydrophobicContact CB-CE1 4.22Å; L1026-Y1034 HydrophobicContact CD1-CD1 4.33Å; L1026-Y1034 HydrophobicContact CD1-CE1 3.93Å; L1026-Y1034 HydrophobicContact CG-CE1 4.03Å; L1026-Y1034 PolarHBondContact N-OH 3.36Å; Y1034-W1036 VanDerWaalsContact CB-CZ2 3.47Å; Y1034-W1036 AromaticContact CD1-CH2 3.83Å; Y1034-W1036 HydrophobicContact CD1-CH2 3.83Å; Y1034-W1036 AromaticContact CD1-CZ2 3.56Å; Y1034-W1036 HydrophobicContact CD1-CZ2 3.56Å; Y1034-W1036 HydrophobicContact CD2-CZ2 4.22Å; Y1034-W1036 HydrophobicContact CE1-CZ2 4.35Å; Y1034-W1036 AromaticContact CG-CE2 3.9Å; Y1034-W1036 HydrophobicContact CG-CH2 4.19Å; Y1034-W1036 AromaticContact CG-CZ2 3.49Å; Y1034-W1036 HydrophobicContact CG-CZ2 3.49Å; Y1034-W1036 VanDerWaalsContact CG-CZ2 3.49Å; Y1034-W1036 PolarHBondContact O-N 3Å; Y1034-S1037 WeakPolarHBondContact O-CB 3.27Å; Y1034-S1037 PolarHBondContact O-N 3.11Å; Y1034-S1037 PolarHBondContact O-OG 3.15Å; Y1034-S1037 VanDerWaalsContact O-OG 3.05Å; Y1034-S1058 WeakPolarHBondContact CD1-OG 3.48Å; Y1034-S1058 VanDerWaalsContact CD2-O 3.25Å; Y1034-S1058 WeakPolarHBondContact CD2-O 3.35Å; Y1034-S1058 WeakPolarHBondContact CE1-OG 3.43Å; Y1034-S1058 VanDerWaalsContact CZ-OG 3.28Å; Y1034-Y1060 AromaticContact CD2-CD2 3.82Å; Y1034-Y1060 HydrophobicContact CD2-CD2 3.82Å; Y1034-Y1060 AromaticContact CD2-CE2 3.6Å; Y1034-Y1060 HydrophobicContact CD2-CE2 3.6Å; Y1034-Y1060 HydrophobicContact CE2-CD1 4.21Å; Y1034-Y1060 AromaticContact CE2-CD2 3.51Å; Y1034-Y1060 HydrophobicContact CE2-CD2 3.51Å; Y1034-Y1060 HydrophobicContact CE2-CE1 4.05Å; Y1034-Y1060 AromaticContact CE2-CE2 3.3Å; Y1034-Y1060 HydrophobicContact CE2-CE2 3.3Å; Y1034-Y1060 AromaticContact CE2-CG 3.97Å; Y1034-Y1060 HydrophobicContact CE2-CG 3.97Å; Y1034-Y1060 AromaticContact CE2-CZ 3.6Å; Y1034-Y1060 HydrophobicContact CG-CE2 4.44Å; Y1034-Y1060 AromaticContact CZ-CE2 3.94Å; Y1034-Y1060 AromaticContact CZ-CZ 3.77Å
1035P82.5Confident74.7Confident78 Ų7871.9 Ų71.951%0.50638%0.379SS..THydrogen-bonded Turntrans-55.2-28.9-172.4-28.835.4000116.1S1037 Y1038 W1039P1035-S1037 VanDerWaalsContact C-N 3.32Å; P1035-S1037 PolarHBondContact O-N 3.27Å; P1035-Y1038 PolarHBondContact O-N 3.47Å; P1035-W1039 VanDerWaalsContact O-CD1 3.31Å
1036W80.5Confident74.6Confident66 Ų6672.8 Ų72.825%0.2538%0.379CS..Hα-helixtrans-74.7-13.1179.246.282.7000114.6Y1034 Y1038 W1039 I1040 L1057 S1058Y1034-W1036 VanDerWaalsContact CB-CZ2 3.47Å; Y1034-W1036 AromaticContact CD1-CH2 3.83Å; Y1034-W1036 HydrophobicContact CD1-CH2 3.83Å; Y1034-W1036 AromaticContact CD1-CZ2 3.56Å; Y1034-W1036 HydrophobicContact CD1-CZ2 3.56Å; Y1034-W1036 HydrophobicContact CD2-CZ2 4.22Å; Y1034-W1036 HydrophobicContact CE1-CZ2 4.35Å; Y1034-W1036 AromaticContact CG-CE2 3.9Å; Y1034-W1036 HydrophobicContact CG-CH2 4.19Å; Y1034-W1036 AromaticContact CG-CZ2 3.49Å; Y1034-W1036 HydrophobicContact CG-CZ2 3.49Å; Y1034-W1036 VanDerWaalsContact CG-CZ2 3.49Å; Y1034-W1036 PolarHBondContact O-N 3Å; W1036-Y1038 PolarHBondContact O-N 3.03Å; W1036-W1039 PolarHBondContact O-N 3.42Å; W1036-I1040 HydrophobicContact CB-CD1 4.46Å; W1036-I1040 PolarHBondContact O-N 2.97Å; W1036-L1057 HydrophobicContact CB-CD1 4.13Å; W1036-L1057 HydrophobicContact CD2-CB 4.13Å; W1036-L1057 HydrophobicContact CD2-CD1 4.1Å; W1036-L1057 HydrophobicContact CD2-CD2 4.21Å; W1036-L1057 HydrophobicContact CD2-CG 4.39Å; W1036-L1057 HydrophobicContact CE3-CD2 4.08Å; W1036-L1057 HydrophobicContact CG-CB 4.43Å; W1036-L1057 HydrophobicContact CG-CD1 3.87Å; W1036-L1057 HydrophobicContact CZ2-CB 4.12Å; W1036-L1057 HydrophobicContact CZ3-CD2 4.28Å; W1036-S1058 WeakPolarHBondContact CH2-OG 3.42Å; W1036-S1058 WeakPolarHBondContact CZ2-O 3.3Å; W1036-S1058 WeakPolarHBondContact CZ2-OG 3.28Å; W1036-S1058 PolarHBondContact NE1-O 2.99Å
1037S75Confident74.6Confident26 Ų2669.1 Ų69.118%0.18236%0.36CS..Hα-helixtrans-58.2-35.617268.50000111.4E1033 Y1034 P1035 R1048E1033-S1037 PolarHBondContact OE2-OG 3.49Å; Y1034-S1037 WeakPolarHBondContact O-CB 3.27Å; Y1034-S1037 PolarHBondContact O-N 3.11Å; Y1034-S1037 PolarHBondContact O-OG 3.15Å; Y1034-S1037 VanDerWaalsContact O-OG 3.05Å; P1035-S1037 VanDerWaalsContact C-N 3.32Å; P1035-S1037 PolarHBondContact O-N 3.27Å; S1037-R1048 PolarHBondContact O-NH1 2.93Å
1038Y77.8Confident74.8Confident150 Ų15071.8 Ų71.859%0.58837%0.367SS*.Hα-helixtrans-86.7-27178.7-56.8-74.3000114.3E1033 P1035 W1036 I1040 P1041E1033-Y1038 HydrophobicContact CB-CE2 4.09Å; E1033-Y1038 PolarHBondContact OE2-OH 3.13Å; P1035-Y1038 PolarHBondContact O-N 3.47Å; W1036-Y1038 PolarHBondContact O-N 3.03Å; Y1038-I1040 VanDerWaalsContact C-N 3.33Å; Y1038-P1041 WeakPolarHBondContact O-CD 3.36Å
1039W72.8Confident75.6Confident218 Ų21872.9 Ų72.983%0.82637%0.37SS*.Hα-helixtrans-80.6-14.4-175.6-72.120.9000113.4P1035 W1036 P1041P1035-W1039 VanDerWaalsContact O-CD1 3.31Å; W1036-W1039 PolarHBondContact O-N 3.42Å; W1039-P1041 WeakPolarHBondContact O-CD 3.42Å
1040I72.3Confident76.6Confident22 Ų2269.9 Ų69.911%0.11335%0.354CS..  trans-118.854.7-177.5-46.8176.7000111.1W1036 Y1038 Y1043 R1048 L1051W1036-I1040 HydrophobicContact CB-CD1 4.46Å; W1036-I1040 PolarHBondContact O-N 2.97Å; Y1038-I1040 VanDerWaalsContact C-N 3.33Å; I1040-Y1043 HydrophobicContact CG2-CD2 3.94Å; I1040-Y1043 HydrophobicContact CG2-CE2 4.44Å; I1040-R1048 HydrophobicContact CB-CG 4.32Å; I1040-R1048 HydrophobicContact CG2-CG 4.2Å; I1040-R1048 WeakPolarHBondContact O-CD 3.24Å; I1040-L1051 HydrophobicContact CD1-CD2 4.37Å; I1040-L1051 HydrophobicContact CG2-CD2 3.78Å
1041P63.7Low77.4Confident101 Ų10168.7 Ų68.766%0.65634%0.343SS*.  trans-88.7-6.5-172.137.3-37.3000114.6Y1038 W1039 Y1043Y1038-P1041 WeakPolarHBondContact O-CD 3.36Å; W1039-P1041 WeakPolarHBondContact O-CD 3.42Å; P1041-Y1043 PolarHBondContact O-N 3.38Å
1042S71.2Confident78Confident91 Ų9166.4 Ų66.464%0.63633%0.328SS*.SBendtrans-9011.8-169.465.40000115.4
1043Y73.2Confident78.7Confident95 Ų9562.1 Ų62.137%0.37331%0.306SS..SBendtrans-132.7157.7-174.4-57.8-74.1000110.4I1040 P1041 F1210I1040-Y1043 HydrophobicContact CG2-CD2 3.94Å; I1040-Y1043 HydrophobicContact CG2-CE2 4.44Å; P1041-Y1043 PolarHBondContact O-N 3.38Å; Y1043-F1210 HydrophobicContact CE1-CD1 4.46Å; Y1043-F1210 AromaticContact CE1-CE1 3.81Å; Y1043-F1210 HydrophobicContact CE1-CE1 3.81Å; Y1043-F1210 AromaticContact CZ-CE1 3.93Å
1044S76.4Confident79.3Confident47 Ų4758.9 Ų58.933%0.32929%0.291SS..  trans-60.4156.2173.655.90000111.4D1046 A1047 R1048S1044-D1046 VanDerWaalsContact C-N 3.29Å; S1044-D1046 PolarHBondContact O-N 3.06Å; S1044-A1047 WeakPolarHBondContact O-CA 3.39Å; S1044-A1047 WeakPolarHBondContact O-CB 3.39Å; S1044-A1047 PolarHBondContact O-N 3.2Å; S1044-A1047 WeakPolarHBondContact OG-CB 3.42Å; S1044-R1048 PolarHBondContact O-N 3.42Å
1045D78.6Confident79.7Confident110 Ų11061.8 Ų61.859%0.58831%0.307SS*.Hα-helixtrans-57.2-40.4-174.6-75.4-50.2000113.2R1048 F1049D1045-R1048 PolarHBondContact O-N 3.14Å; D1045-R1048 IonicContact OD1-CZ 2.62Å; D1045-R1048 IonicContact OD1-NE 3.86Å; D1045-R1048 IonicContact OD1-NH2 2.79Å; D1045-R1048 PolarHBondContact OD1-NH2 3.37Å; D1045-F1049 WeakPolarHBondContact O-CB 3.49Å; D1045-F1049 PolarHBondContact O-N 3.43Å
1046D81.5Confident79.9Confident39 Ų3958.8 Ų58.821%0.20929%0.287CS..Hα-helixtrans-64.3-39.7174.8-68.8-38.3000112S1044 F1049 N1050 H1241 L1243S1044-D1046 VanDerWaalsContact C-N 3.29Å; S1044-D1046 PolarHBondContact O-N 3.06Å; D1046-F1049 PolarHBondContact O-N 3.06Å; D1046-N1050 WeakPolarHBondContact O-CB 3.48Å; D1046-N1050 PolarHBondContact O-N 3.49Å; D1046-N1050 PolarHBondContact O-OD1 3.2Å; D1046-H1241 HydrophobicContact CB-CB 3.99Å; D1046-H1241 IonicContact OD1-CE1 3.42Å; D1046-H1241 IonicContact OD1-CG 3.91Å; D1046-H1241 IonicContact OD1-ND1 3.95Å; D1046-H1241 PolarHBondContact OD1-ND1 3.17Å; D1046-L1243 HydrophobicContact CB-CD2 4.19Å
1047A79.9Confident80Confident3 Ų357.8 Ų57.83%0.02529%0.286CS..Hα-helixtrans-70.5-36.8176.500000112.3S1044 L1051 L1243S1044-A1047 WeakPolarHBondContact O-CA 3.39Å; S1044-A1047 WeakPolarHBondContact O-CB 3.39Å; S1044-A1047 PolarHBondContact O-N 3.2Å; S1044-A1047 WeakPolarHBondContact OG-CB 3.42Å; A1047-L1051 WeakPolarHBondContact O-CB 3.44Å; A1047-L1051 PolarHBondContact O-N 3.42Å; A1047-L1243 HydrophobicContact CB-CD2 3.99Å
1048R83.2Confident80.5Confident83 Ų8357 Ų5731%0.31328%0.28SS..Hα-helixtrans-64.1-44.5173.2-179.6168.666.8149.7-5.9110.9S1037 I1040 S1044 D1045 L1051 S1052S1037-R1048 PolarHBondContact O-NH1 2.93Å; I1040-R1048 HydrophobicContact CB-CG 4.32Å; I1040-R1048 HydrophobicContact CG2-CG 4.2Å; I1040-R1048 WeakPolarHBondContact O-CD 3.24Å; S1044-R1048 PolarHBondContact O-N 3.42Å; D1045-R1048 PolarHBondContact O-N 3.14Å; D1045-R1048 IonicContact OD1-CZ 2.62Å; D1045-R1048 IonicContact OD1-NE 3.86Å; D1045-R1048 IonicContact OD1-NH2 2.79Å; D1045-R1048 PolarHBondContact OD1-NH2 3.37Å; R1048-L1051 PolarHBondContact O-N 3.4Å; R1048-S1052 WeakPolarHBondContact O-CB 3.43Å; R1048-S1052 PolarHBondContact O-N 3.05Å; R1048-S1052 PolarHBondContact O-OG 3.22Å; R1048-S1052 VanDerWaalsContact O-OG 3.13Å
1049F85.3Confident80.5Confident42 Ų4251.5 Ų51.518%0.18426%0.261CS..Hα-helixtrans-57.9-55.8172.9-177.8-91000110.9D1045 D1046 L1051 S1052 Y1053 I1059 V1062 H1241D1045-F1049 WeakPolarHBondContact O-CB 3.49Å; D1045-F1049 PolarHBondContact O-N 3.43Å; D1046-F1049 PolarHBondContact O-N 3.06Å; F1049-L1051 VanDerWaalsContact C-N 3.31Å; F1049-L1051 PolarHBondContact O-N 2.98Å; F1049-S1052 PolarHBondContact O-N 3.04Å; F1049-S1052 VanDerWaalsContact O-N 3.08Å; F1049-S1052 PolarHBondContact O-OG 3.17Å; F1049-Y1053 WeakPolarHBondContact O-CB 3.37Å; F1049-Y1053 PolarHBondContact O-N 3.42Å; F1049-I1059 HydrophobicContact CD2-CD1 4.48Å; F1049-I1059 HydrophobicContact CE2-CD1 4.33Å; F1049-I1059 HydrophobicContact CE2-CG2 4.41Å; F1049-V1062 HydrophobicContact CE2-CG2 3.55Å; F1049-V1062 HydrophobicContact CZ-CG2 3.78Å; F1049-H1241 HydrophobicContact CD1-CB 4.45Å; F1049-H1241 AromaticContact CD1-CD2 3.53Å; F1049-H1241 AromaticContact CD1-CG 3.82Å; F1049-H1241 AromaticContact CD1-NE2 3.8Å; F1049-H1241 AromaticContact CE1-CD2 3.43Å; F1049-H1241 VanDerWaalsContact CE1-CD2 3.43Å; F1049-H1241 WeakPolarHBondContact CE1-CD2 3.17Å; F1049-H1241 AromaticContact CE1-NE2 3.58Å; F1049-H1241 AromaticContact CZ-NE2 3.85Å
1050N87.6Confident80.8Confident1 Ų142.9 Ų42.91%0.00523%0.229CC..Hα-helixtrans-54.7-43.9179.5-71-3.6000112.6D1046 Y1053 L1054 C1208 V1209 C1240 H1241D1046-N1050 WeakPolarHBondContact O-CB 3.48Å; D1046-N1050 PolarHBondContact O-N 3.49Å; D1046-N1050 PolarHBondContact O-OD1 3.2Å; N1050-Y1053 PolarHBondContact O-N 3.18Å; N1050-L1054 WeakPolarHBondContact O-CB 3.4Å; N1050-L1054 VanDerWaalsContact O-CG 3.31Å; N1050-L1054 WeakPolarHBondContact O-CG 3.35Å; N1050-L1054 PolarHBondContact O-N 2.64Å; N1050-C1208 PolarHBondContact ND2-O 3Å; N1050-V1209 HydrophobicContact CB-CG2 4.23Å; N1050-C1240 HydrophobicContact CB-CB 4.43Å; N1050-C1240 WeakPolarHBondContact OD1-CA 3.39Å; N1050-C1240 WeakPolarHBondContact OD1-CB 3.44Å; N1050-H1241 PolarHBondContact ND2-O 2.95Å; N1050-H1241 PolarHBondContact OD1-N 3.31Å
1051L86.5Confident80.7Confident27 Ų2744.7 Ų44.714%0.14125%0.253CS..Hα-helixtrans-66.1-43.7177.9-177.856.9000111.8I1040 A1047 R1048 F1049 L1054 L1055 V1209I1040-L1051 HydrophobicContact CD1-CD2 4.37Å; I1040-L1051 HydrophobicContact CG2-CD2 3.78Å; A1047-L1051 WeakPolarHBondContact O-CB 3.44Å; A1047-L1051 PolarHBondContact O-N 3.42Å; R1048-L1051 PolarHBondContact O-N 3.4Å; F1049-L1051 VanDerWaalsContact C-N 3.31Å; F1049-L1051 PolarHBondContact O-N 2.98Å; L1051-L1054 PolarHBondContact O-N 3.04Å; L1051-L1055 HydrophobicContact CD1-CD1 3.86Å; L1051-L1055 HydrophobicContact CD1-CG 4.12Å; L1051-L1055 HydrophobicContact CG-CD1 3.99Å; L1051-L1055 WeakPolarHBondContact O-CB 3.31Å; L1051-L1055 VanDerWaalsContact O-CG 3.24Å; L1051-L1055 WeakPolarHBondContact O-CG 3.5Å; L1051-L1055 PolarHBondContact O-N 2.85Å; L1051-V1209 HydrophobicContact CB-CG1 4.25Å; L1051-V1209 HydrophobicContact CB-CG2 3.98Å; L1051-V1209 HydrophobicContact CD1-CG2 4.37Å
1052S86.3Confident81.2Confident10 Ų1041.2 Ų41.27%0.0723%0.23CC..Hα-helixtrans-65.6-37177.4630000113.1R1048 F1049 N1056 L1057 I1059R1048-S1052 WeakPolarHBondContact O-CB 3.43Å; R1048-S1052 PolarHBondContact O-N 3.05Å; R1048-S1052 PolarHBondContact O-OG 3.22Å; R1048-S1052 VanDerWaalsContact O-OG 3.13Å; F1049-S1052 PolarHBondContact O-N 3.04Å; F1049-S1052 VanDerWaalsContact O-N 3.08Å; F1049-S1052 PolarHBondContact O-OG 3.17Å; S1052-N1056 PolarHBondContact O-N 3.21Å; S1052-L1057 PolarHBondContact O-N 2.87Å; S1052-L1057 VanDerWaalsContact O-N 3.13Å; S1052-I1059 WeakPolarHBondContact OG-CD1 3.33Å
1053Y87.6Confident81.5Confident4 Ų444 Ų442%0.01624%0.238CC..Hα-helixtrans-66.2-49.8174.6-171.4-83.1000111.6F1049 N1050 L1055 N1056 V1062 W1064 E1239F1049-Y1053 WeakPolarHBondContact O-CB 3.37Å; F1049-Y1053 PolarHBondContact O-N 3.42Å; N1050-Y1053 PolarHBondContact O-N 3.18Å; Y1053-L1055 PolarHBondContact O-N 3.48Å; Y1053-N1056 WeakPolarHBondContact O-CA 3.23Å; Y1053-N1056 PolarHBondContact O-N 3.5Å; Y1053-V1062 HydrophobicContact CD2-CG1 4.34Å; Y1053-V1062 HydrophobicContact CE2-CG1 4.15Å; Y1053-W1064 HydrophobicContact CD2-CH2 4.34Å; Y1053-W1064 HydrophobicContact CD2-CZ3 4.15Å; Y1053-W1064 HydrophobicContact CE2-CE3 4.21Å; Y1053-W1064 HydrophobicContact CE2-CH2 4.49Å; Y1053-W1064 AromaticContact CE2-CZ3 3.9Å; Y1053-W1064 HydrophobicContact CE2-CZ3 3.9Å; Y1053-E1239 HydrophobicContact CD1-CB 4.42Å; Y1053-E1239 HydrophobicContact CE1-CB 3.72Å; Y1053-E1239 HydrophobicContact CE1-CG 4.46Å; Y1053-E1239 HydrophobicContact CE2-CB 3.84Å; Y1053-E1239 WeakPolarHBondContact OH-CB 3.47Å; Y1053-E1239 WeakPolarHBondContact OH-CG 3.19Å
1054L86.2Confident82Confident3 Ų340.2 Ų40.22%0.01622%0.223CC..Hα-helixtrans-64-27.2178.5-75.6167.5000113.4A981 N1050 L1051 N1056 C1208 V1209A981-L1054 VanDerWaalsContact CB-O 3.28Å; A981-L1054 WeakPolarHBondContact CB-O 3.38Å; A981-L1054 PolarHBondContact N-O 3.23Å; N1050-L1054 WeakPolarHBondContact O-CB 3.4Å; N1050-L1054 VanDerWaalsContact O-CG 3.31Å; N1050-L1054 WeakPolarHBondContact O-CG 3.35Å; N1050-L1054 PolarHBondContact O-N 2.64Å; L1051-L1054 PolarHBondContact O-N 3.04Å; L1054-N1056 VanDerWaalsContact C-N 3.27Å; L1054-C1208 HydrophobicContact CD1-CB 3.74Å; L1054-V1209 HydrophobicContact CD1-CG2 4.18Å
1055L86.3Confident82.5Confident81 Ų8139.5 Ų39.542%0.42422%0.217SC..THydrogen-bonded Turntrans-82.3-2.2172-68.5172.9000113.4A981 L1051 Y1053 L1057A981-L1055 HydrophobicContact CB-CD2 4.14Å; L1051-L1055 HydrophobicContact CD1-CD1 3.86Å; L1051-L1055 HydrophobicContact CD1-CG 4.12Å; L1051-L1055 HydrophobicContact CG-CD1 3.99Å; L1051-L1055 WeakPolarHBondContact O-CB 3.31Å; L1051-L1055 VanDerWaalsContact O-CG 3.24Å; L1051-L1055 WeakPolarHBondContact O-CG 3.5Å; L1051-L1055 PolarHBondContact O-N 2.85Å; Y1053-L1055 PolarHBondContact O-N 3.48Å; L1055-L1057 HydrophobicContact CB-CD1 3.95Å; L1055-L1057 HydrophobicContact CB-CG 3.92Å; L1055-L1057 HydrophobicContact CD1-CD1 4.16Å; L1055-L1057 PolarHBondContact O-N 2.85Å
1056N86Confident82.9Confident15 Ų1535.9 Ų35.98%0.0820%0.2CC..THydrogen-bonded Turntrans57.435-179.7-160.173.7000113.4L982 Y1023 S1052 Y1053 L1054 W1064L982-N1056 HydrophobicContact CD1-CB 4.22Å; Y1023-N1056 WeakPolarHBondContact CE1-OD1 3.34Å; Y1023-N1056 PolarHBondContact OH-OD1 3.37Å; S1052-N1056 PolarHBondContact O-N 3.21Å; Y1053-N1056 WeakPolarHBondContact O-CA 3.23Å; Y1053-N1056 PolarHBondContact O-N 3.5Å; L1054-N1056 VanDerWaalsContact C-N 3.27Å; N1056-W1064 WeakPolarHBondContact OD1-CZ3 3.36Å
1057L83.6Confident83.2Confident45 Ų4536.5 Ų36.524%0.23621%0.211CC..  trans-83.7149.9176.4-64.3171.3000110.2W1036 S1052 L1055 W1064W1036-L1057 HydrophobicContact CB-CD1 4.13Å; W1036-L1057 HydrophobicContact CD2-CB 4.13Å; W1036-L1057 HydrophobicContact CD2-CD1 4.1Å; W1036-L1057 HydrophobicContact CD2-CD2 4.21Å; W1036-L1057 HydrophobicContact CD2-CG 4.39Å; W1036-L1057 HydrophobicContact CE3-CD2 4.08Å; W1036-L1057 HydrophobicContact CG-CB 4.43Å; W1036-L1057 HydrophobicContact CG-CD1 3.87Å; W1036-L1057 HydrophobicContact CZ2-CB 4.12Å; W1036-L1057 HydrophobicContact CZ3-CD2 4.28Å; S1052-L1057 PolarHBondContact O-N 2.87Å; S1052-L1057 VanDerWaalsContact O-N 3.13Å; L1055-L1057 HydrophobicContact CB-CD1 3.95Å; L1055-L1057 HydrophobicContact CB-CG 3.92Å; L1055-L1057 HydrophobicContact CD1-CD1 4.16Å; L1055-L1057 PolarHBondContact O-N 2.85Å; L1057-W1064 WeakPolarHBondContact O-CH2 3.48Å; L1057-W1064 WeakPolarHBondContact O-CZ2 3.5Å
1058S84.2Confident83.7Confident9 Ų937.3 Ų37.36%0.06321%0.213CC..  trans-72.1137.9-17958.60000112.5S1022 Y1034 W1036S1022-S1058 WeakPolarHBondContact O-CB 3.2Å; Y1034-S1058 WeakPolarHBondContact CD1-OG 3.48Å; Y1034-S1058 VanDerWaalsContact CD2-O 3.25Å; Y1034-S1058 WeakPolarHBondContact CD2-O 3.35Å; Y1034-S1058 WeakPolarHBondContact CE1-OG 3.43Å; Y1034-S1058 VanDerWaalsContact CZ-OG 3.28Å; W1036-S1058 WeakPolarHBondContact CH2-OG 3.42Å; W1036-S1058 WeakPolarHBondContact CZ2-O 3.3Å; W1036-S1058 WeakPolarHBondContact CZ2-OG 3.28Å; W1036-S1058 PolarHBondContact NE1-O 2.99Å
1059I79Confident84Confident35 Ų3533.4 Ų33.418%0.17920%0.199CC..  trans-137137.6-176.3-51.8164.2000107F1049 S1052 V1062F1049-I1059 HydrophobicContact CD2-CD1 4.48Å; F1049-I1059 HydrophobicContact CE2-CD1 4.33Å; F1049-I1059 HydrophobicContact CE2-CG2 4.41Å; S1052-I1059 WeakPolarHBondContact OG-CD1 3.33Å; I1059-V1062 HydrophobicContact CB-CG2 3.94Å; I1059-V1062 HydrophobicContact CD1-CG2 4.4Å; I1059-V1062 HydrophobicContact CG2-CG2 3.87Å
1060Y78.6Confident84.3Confident37 Ų3733.3 Ų33.315%0.14520%0.2CC..THydrogen-bonded Turntrans-70.2140174.8-70.2-69.6000111.3H873 L1026 P1028 I1032 Y1034 V1062H873-Y1060 HydrophobicContact CB-CD2 3.9Å; H873-Y1060 HydrophobicContact CB-CG 3.89Å; L1026-Y1060 WeakPolarHBondContact CB-OH 3.42Å; L1026-Y1060 WeakPolarHBondContact O-CE1 3.14Å; P1028-Y1060 HydrophobicContact CB-CD1 3.94Å; P1028-Y1060 HydrophobicContact CB-CE1 3.92Å; I1032-Y1060 VanDerWaalsContact O-CE2 3.31Å; I1032-Y1060 WeakPolarHBondContact O-CE2 3.45Å; I1032-Y1060 PolarHBondContact O-OH 3.09Å; Y1034-Y1060 AromaticContact CD2-CD2 3.82Å; Y1034-Y1060 HydrophobicContact CD2-CD2 3.82Å; Y1034-Y1060 AromaticContact CD2-CE2 3.6Å; Y1034-Y1060 HydrophobicContact CD2-CE2 3.6Å; Y1034-Y1060 HydrophobicContact CE2-CD1 4.21Å; Y1034-Y1060 AromaticContact CE2-CD2 3.51Å; Y1034-Y1060 HydrophobicContact CE2-CD2 3.51Å; Y1034-Y1060 HydrophobicContact CE2-CE1 4.05Å; Y1034-Y1060 AromaticContact CE2-CE2 3.3Å; Y1034-Y1060 HydrophobicContact CE2-CE2 3.3Å; Y1034-Y1060 AromaticContact CE2-CG 3.97Å; Y1034-Y1060 HydrophobicContact CE2-CG 3.97Å; Y1034-Y1060 AromaticContact CE2-CZ 3.6Å; Y1034-Y1060 HydrophobicContact CG-CE2 4.44Å; Y1034-Y1060 AromaticContact CZ-CE2 3.94Å; Y1034-Y1060 AromaticContact CZ-CZ 3.77Å; Y1060-V1062 VanDerWaalsContact C-N 3.34Å; Y1060-V1062 PolarHBondContact O-N 3.2Å
1061G69.7Low84.4Confident61 Ų6134 Ų3463%0.62921%0.206SC*.THydrogen-bonded Turntrans81.3-3.4175.500000116.7
1062V73.9Confident84.6Confident28 Ų2832.7 Ų32.717%0.1720%0.2CC..  trans-92.4123.2177.6-178.30000110.9F1049 Y1053 I1059 Y1060 W1064F1049-V1062 HydrophobicContact CE2-CG2 3.55Å; F1049-V1062 HydrophobicContact CZ-CG2 3.78Å; Y1053-V1062 HydrophobicContact CD2-CG1 4.34Å; Y1053-V1062 HydrophobicContact CE2-CG1 4.15Å; I1059-V1062 HydrophobicContact CB-CG2 3.94Å; I1059-V1062 HydrophobicContact CD1-CG2 4.4Å; I1059-V1062 HydrophobicContact CG2-CG2 3.87Å; Y1060-V1062 VanDerWaalsContact C-N 3.34Å; Y1060-V1062 PolarHBondContact O-N 3.2Å; V1062-W1064 PolarHBondContact O-N 3.05Å
1063N77.3Confident84.8Confident149 Ų14932.3 Ų32.380%0.79720%0.197SC*.  trans-85.3103.8172.6-72.2-32.8000110.1
1064W84.7Confident85.1Confident16 Ų1636.3 Ų36.36%0.06122%0.215CC..  trans-64.5133.5-179.9-6493000112.4I808 Y1023 Y1053 N1056 L1057 V1062 S1066I808-W1064 HydrophobicContact CD1-CB 4.4Å; Y1023-W1064 HydrophobicContact CD1-CB 4.14Å; Y1023-W1064 AromaticContact CD1-CD1 3.78Å; Y1023-W1064 AromaticContact CD1-CD2 3.41Å; Y1023-W1064 HydrophobicContact CD1-CD2 3.41Å; Y1023-W1064 VanDerWaalsContact CD1-CD2 3.41Å; Y1023-W1064 AromaticContact CD1-CE2 3.7Å; Y1023-W1064 AromaticContact CD1-CE3 3.88Å; Y1023-W1064 HydrophobicContact CD1-CE3 3.88Å; Y1023-W1064 AromaticContact CD1-CG 3.5Å; Y1023-W1064 HydrophobicContact CD1-CG 3.5Å; Y1023-W1064 VanDerWaalsContact CD1-CG 3.5Å; Y1023-W1064 HydrophobicContact CD1-CZ2 4.4Å; Y1023-W1064 AromaticContact CD1-NE1 3.89Å; Y1023-W1064 HydrophobicContact CD2-CB 3.63Å; Y1023-W1064 HydrophobicContact CD2-CD2 4.49Å; Y1023-W1064 AromaticContact CD2-CG 3.92Å; Y1023-W1064 HydrophobicContact CD2-CG 3.92Å; Y1023-W1064 HydrophobicContact CE1-CB 4.41Å; Y1023-W1064 AromaticContact CE1-CD2 3.49Å; Y1023-W1064 HydrophobicContact CE1-CD2 3.49Å; Y1023-W1064 VanDerWaalsContact CE1-CD2 3.49Å; Y1023-W1064 AromaticContact CE1-CE3 3.42Å; Y1023-W1064 HydrophobicContact CE1-CE3 3.42Å; Y1023-W1064 VanDerWaalsContact CE1-CE3 3.42Å; Y1023-W1064 AromaticContact CE1-CG 3.93Å; Y1023-W1064 HydrophobicContact CE1-CG 3.93Å; Y1023-W1064 HydrophobicContact CE1-CH2 4.44Å; Y1023-W1064 HydrophobicContact CE1-CZ2 4.5Å; Y1023-W1064 AromaticContact CE1-CZ3 3.92Å; Y1023-W1064 HydrophobicContact CE1-CZ3 3.92Å; Y1023-W1064 HydrophobicContact CE2-CB 3.92Å; Y1023-W1064 HydrophobicContact CE2-CG 4.29Å; Y1023-W1064 HydrophobicContact CG-CB 3.76Å; Y1023-W1064 AromaticContact CG-CD1 3.74Å; Y1023-W1064 AromaticContact CG-CD2 3.97Å; Y1023-W1064 HydrophobicContact CG-CD2 3.97Å; Y1023-W1064 AromaticContact CG-CG 3.52Å; Y1023-W1064 HydrophobicContact CG-CG 3.52Å; Y1023-W1064 AromaticContact CZ-CE3 3.8Å; Y1053-W1064 HydrophobicContact CD2-CH2 4.34Å; Y1053-W1064 HydrophobicContact CD2-CZ3 4.15Å; Y1053-W1064 HydrophobicContact CE2-CE3 4.21Å; Y1053-W1064 HydrophobicContact CE2-CH2 4.49Å; Y1053-W1064 AromaticContact CE2-CZ3 3.9Å; Y1053-W1064 HydrophobicContact CE2-CZ3 3.9Å; N1056-W1064 WeakPolarHBondContact OD1-CZ3 3.36Å; L1057-W1064 WeakPolarHBondContact O-CH2 3.48Å; L1057-W1064 WeakPolarHBondContact O-CZ2 3.5Å; V1062-W1064 PolarHBondContact O-N 3.05Å; W1064-S1066 PolarHBondContact O-N 3.15Å
1065P85.6Confident85.4Confident31 Ų3136.6 Ų36.620%0.20122%0.217CC..  trans-70.2124.1-177.827.3-34.4000111.5A1067 Y1068P1065-A1067 PolarHBondContact O-N 3.15Å; P1065-Y1068 HydrophobicContact CG-CD1 4.45Å; P1065-Y1068 HydrophobicContact CG-CD2 3.7Å; P1065-Y1068 HydrophobicContact CG-CE1 4.22Å; P1065-Y1068 HydrophobicContact CG-CE2 3.44Å; P1065-Y1068 VanDerWaalsContact CG-CE2 3.44Å; P1065-Y1068 HydrophobicContact CG-CG 4.21Å; P1065-Y1068 PolarHBondContact O-N 3.38Å
1066S87.9Confident85.7Confident35 Ų3532.8 Ų32.825%0.24520%0.196CC..Hα-helixtrans-62-19.3-176.768.10000114A805 N806 W1064 Y1068 L1069 I1070A805-S1066 WeakPolarHBondContact O-CB 3.43Å; N806-S1066 WeakPolarHBondContact OD1-CB 3.2Å; N806-S1066 PolarHBondContact OD1-OG 3.43Å; W1064-S1066 PolarHBondContact O-N 3.15Å; S1066-Y1068 VanDerWaalsContact C-N 3.28Å; S1066-Y1068 PolarHBondContact O-N 3.03Å; S1066-L1069 PolarHBondContact O-N 3.46Å; S1066-I1070 VanDerWaalsContact O-CG1 3.31Å; S1066-I1070 WeakPolarHBondContact O-CG1 3.47Å; S1066-I1070 PolarHBondContact O-N 2.72Å; S1066-I1070 VanDerWaalsContact O-N 3.11Å
1067A87.8Confident86Confident52 Ų5233 Ų3343%0.4320%0.198SC..Hα-helixtrans-57.3-35.7176.600000113.6P1065 I1070 G1071P1065-A1067 PolarHBondContact O-N 3.15Å; A1067-I1070 PolarHBondContact O-N 3.17Å; A1067-G1071 PolarHBondContact O-N 3.16Å
1068Y89.9Confident86.4Confident19 Ų1933.1 Ų33.18%0.07520%0.198CC..Hα-helixtrans-67.3-51.8-179.8-59.7-15.6000110.7N977 R978 P1065 S1066 I1070 G1071 D1072N977-Y1068 VanDerWaalsContact O-CE1 3.25Å; N977-Y1068 WeakPolarHBondContact O-CE1 3.49Å; R978-Y1068 HydrophobicContact CG-CD1 4.13Å; R978-Y1068 HydrophobicContact CG-CG 4.4Å; P1065-Y1068 HydrophobicContact CG-CD1 4.45Å; P1065-Y1068 HydrophobicContact CG-CD2 3.7Å; P1065-Y1068 HydrophobicContact CG-CE1 4.22Å; P1065-Y1068 HydrophobicContact CG-CE2 3.44Å; P1065-Y1068 VanDerWaalsContact CG-CE2 3.44Å; P1065-Y1068 HydrophobicContact CG-CG 4.21Å; P1065-Y1068 PolarHBondContact O-N 3.38Å; S1066-Y1068 VanDerWaalsContact C-N 3.28Å; S1066-Y1068 PolarHBondContact O-N 3.03Å; Y1068-I1070 PolarHBondContact O-N 2.86Å; Y1068-G1071 WeakPolarHBondContact O-CA 3.32Å; Y1068-G1071 PolarHBondContact O-N 2.84Å; Y1068-D1072 PolarHBondContact O-N 3.27Å
1069L90Very high86.8Confident1 Ų132.7 Ų32.71%0.00520%0.195CC..Hα-helixtrans-57.1-35.5174.8-70.7173.6000112.7A805 I808 Y1016 Q1019 F1020 Y1023 S1066 F1073A805-L1069 HydrophobicContact CB-CB 4.22Å; A805-L1069 HydrophobicContact CB-CD1 4.45Å; I808-L1069 HydrophobicContact CD1-CD1 4.33Å; Y1016-L1069 HydrophobicContact CD2-CD2 4.4Å; Y1016-L1069 HydrophobicContact CE2-CB 4.3Å; Y1016-L1069 HydrophobicContact CE2-CD2 4.22Å; Y1016-L1069 WeakPolarHBondContact CE2-O 3.41Å; Q1019-L1069 HydrophobicContact CB-CD2 4.36Å; Q1019-L1069 HydrophobicContact CG-CD2 4Å; F1020-L1069 HydrophobicContact CD2-CD1 3.89Å; Y1023-L1069 HydrophobicContact CD2-CD1 3.92Å; Y1023-L1069 HydrophobicContact CD2-CD2 4.21Å; Y1023-L1069 HydrophobicContact CD2-CG 4Å; Y1023-L1069 HydrophobicContact CE2-CD1 4.27Å; Y1023-L1069 HydrophobicContact CE2-CD2 4.09Å; Y1023-L1069 HydrophobicContact CE2-CG 3.85Å; S1066-L1069 PolarHBondContact O-N 3.46Å; L1069-F1073 VanDerWaalsContact O-CB 3.26Å; L1069-F1073 WeakPolarHBondContact O-CB 3.35Å; L1069-F1073 PolarHBondContact O-N 3.01Å
1070I90.6Very high87.4Confident41 Ų4132.1 Ų32.121%0.2119%0.194CC..Hα-helixtrans-69.7-41.2176.8-68.3166.8000111A805 S1066 A1067 Y1068 F1073 F1074A805-I1070 HydrophobicContact CB-CD1 4.24Å; A805-I1070 HydrophobicContact CB-CG1 3.89Å; S1066-I1070 VanDerWaalsContact O-CG1 3.31Å; S1066-I1070 WeakPolarHBondContact O-CG1 3.47Å; S1066-I1070 PolarHBondContact O-N 2.72Å; S1066-I1070 VanDerWaalsContact O-N 3.11Å; A1067-I1070 PolarHBondContact O-N 3.17Å; Y1068-I1070 PolarHBondContact O-N 2.86Å; I1070-F1073 PolarHBondContact O-N 3.02Å; I1070-F1074 HydrophobicContact CG2-CD2 3.74Å; I1070-F1074 HydrophobicContact CG2-CE2 3.61Å; I1070-F1074 WeakPolarHBondContact O-CD2 3.44Å; I1070-F1074 PolarHBondContact O-N 3.36Å
1071G89.9Confident87.9Confident14 Ų1431.8 Ų31.814%0.14420%0.197CC..Hα-helixtrans-58.1-54.5172.800000112.1A1067 Y1068 F1073 F1074 V1075A1067-G1071 PolarHBondContact O-N 3.16Å; Y1068-G1071 WeakPolarHBondContact O-CA 3.32Å; Y1068-G1071 PolarHBondContact O-N 2.84Å; G1071-F1073 VanDerWaalsContact C-N 3.31Å; G1071-F1073 PolarHBondContact O-N 3.09Å; G1071-F1074 PolarHBondContact O-N 3.32Å; G1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; G1071-V1075 PolarHBondContact O-N 3.35Å
1072D90.9Very high88.9Confident0 Ų028.9 Ų28.90%017%0.167CC..Hα-helixtrans-56.8-41.8177.4-70.1-58.2000112.1R978 M1012 Y1016 Q1019 Y1068 V1075 L1076R978-D1072 IonicContact CZ-OD2 3.29Å; R978-D1072 IonicContact NH1-OD1 2.66Å; R978-D1072 PolarHBondContact NH1-OD1 3.42Å; R978-D1072 IonicContact NH1-OD2 3.73Å; R978-D1072 PolarHBondContact NH1-OD2 3.42Å; M1012-D1072 HydrophobicContact CE-CB 4.07Å; Y1016-D1072 HydrophobicContact CD2-CB 4.3Å; Q1019-D1072 VanDerWaalsContact CD-OD2 3.29Å; Q1019-D1072 PolarHBondContact NE2-OD2 2.98Å; Q1019-D1072 PolarHBondContact OE1-OD2 3.29Å; Y1068-D1072 PolarHBondContact O-N 3.27Å; D1072-V1075 PolarHBondContact O-N 3.48Å; D1072-L1076 WeakPolarHBondContact O-CB 3.48Å; D1072-L1076 PolarHBondContact O-N 2.97Å
1073F92.1Very high89.7Confident3 Ų328.6 Ų28.61%0.01316%0.164CC..Hα-helixtrans-62.6-43.5174.5173.1-89.2000112.6F797 V798 A801 L819 I823 Y1016 L1069 I1070 G1071 L1076 L1077F797-F1073 HydrophobicContact CB-CZ 4.2Å; V798-F1073 HydrophobicContact CG2-CE1 3.95Å; V798-F1073 HydrophobicContact CG2-CZ 4.47Å; A801-F1073 HydrophobicContact CB-CD1 3.98Å; A801-F1073 HydrophobicContact CB-CD2 3.64Å; A801-F1073 HydrophobicContact CB-CE1 3.88Å; A801-F1073 HydrophobicContact CB-CE2 3.5Å; A801-F1073 HydrophobicContact CB-CG 3.88Å; A801-F1073 HydrophobicContact CB-CZ 3.65Å; L819-F1073 HydrophobicContact CD1-CE2 4.35Å; L819-F1073 HydrophobicContact CD2-CD2 4.4Å; L819-F1073 HydrophobicContact CD2-CE2 3.95Å; L819-F1073 HydrophobicContact CG-CE2 4.23Å; I823-F1073 HydrophobicContact CD1-CD2 4.13Å; I823-F1073 HydrophobicContact CD1-CE2 3.53Å; I823-F1073 HydrophobicContact CD1-CZ 4.23Å; Y1016-F1073 HydrophobicContact CD2-CB 4.45Å; Y1016-F1073 HydrophobicContact CE1-CD2 4.4Å; Y1016-F1073 HydrophobicContact CE2-CB 3.87Å; L1069-F1073 VanDerWaalsContact O-CB 3.26Å; L1069-F1073 WeakPolarHBondContact O-CB 3.35Å; L1069-F1073 PolarHBondContact O-N 3.01Å; I1070-F1073 PolarHBondContact O-N 3.02Å; G1071-F1073 VanDerWaalsContact C-N 3.31Å; G1071-F1073 PolarHBondContact O-N 3.09Å; F1073-L1076 PolarHBondContact O-N 3.26Å; F1073-L1077 HydrophobicContact CE1-CD2 4.15Å; F1073-L1077 WeakPolarHBondContact O-CB 3.32Å; F1073-L1077 PolarHBondContact O-N 3.31Å
1074F92.3Very high90.2Very high88 Ų8823.8 Ų23.839%0.38615%0.146SC..Hα-helixtrans-67-39.9177-84.7-63.4000111.9V798 I1070 G1071 L1077 L1078V798-F1074 HydrophobicContact CG2-CE1 4.36Å; I1070-F1074 HydrophobicContact CG2-CD2 3.74Å; I1070-F1074 HydrophobicContact CG2-CE2 3.61Å; I1070-F1074 WeakPolarHBondContact O-CD2 3.44Å; I1070-F1074 PolarHBondContact O-N 3.36Å; G1071-F1074 PolarHBondContact O-N 3.32Å; F1074-L1077 PolarHBondContact O-N 3.44Å; F1074-L1078 WeakPolarHBondContact O-CB 3.48Å; F1074-L1078 VanDerWaalsContact O-CG 3.26Å; F1074-L1078 WeakPolarHBondContact O-CG 3.35Å; F1074-L1078 PolarHBondContact O-N 2.85Å
1075V93.2Very high90.3Very high9 Ų923.8 Ų23.86%0.05515%0.147CC..Hα-helixtrans-61.4-43.8173.5172.90000110.5I971 D974 Y1008 M1012 G1071 D1072 L1078 A1079I971-V1075 HydrophobicContact CG1-CG1 4.33Å; D974-V1075 HydrophobicContact CB-CG2 4.15Å; Y1008-V1075 HydrophobicContact CE1-CG1 4.16Å; Y1008-V1075 WeakPolarHBondContact OH-CG1 3.22Å; M1012-V1075 HydrophobicContact CE-CB 4.16Å; M1012-V1075 HydrophobicContact CE-CG1 3.93Å; M1012-V1075 HydrophobicContact CG-CG1 4.38Å; M1012-V1075 HydrophobicContact SD-CG1 4.34Å; G1071-V1075 WeakPolarHBondContact O-CG2 3.46Å; G1071-V1075 PolarHBondContact O-N 3.35Å; D1072-V1075 PolarHBondContact O-N 3.48Å; V1075-L1078 PolarHBondContact O-N 3.02Å; V1075-A1079 WeakPolarHBondContact O-CB 3.26Å; V1075-A1079 PolarHBondContact O-N 3.08Å
1076L93.1Very high90.5Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-62.6-43.8174.2176.658.8000112.8M1012 A1013 D1072 F1073 S1080M1012-L1076 HydrophobicContact CB-CB 4.28Å; M1012-L1076 HydrophobicContact CB-CD1 3.92Å; A1013-L1076 HydrophobicContact CB-CD1 4.03Å; D1072-L1076 WeakPolarHBondContact O-CB 3.48Å; D1072-L1076 PolarHBondContact O-N 2.97Å; F1073-L1076 PolarHBondContact O-N 3.26Å; L1076-S1080 VanDerWaalsContact O-CB 3.29Å; L1076-S1080 WeakPolarHBondContact O-CB 3.48Å; L1076-S1080 PolarHBondContact O-N 2.97Å; L1076-S1080 PolarHBondContact O-OG 3.38Å
1077L91.4Very high90.5Very high21 Ų2130.4 Ų30.411%0.1116%0.163CC..Hα-helixtrans-65.4-41.6178.5-178.663.5000112V798 F1073 F1074 S1080 C1081V798-L1077 HydrophobicContact CG2-CD2 4.41Å; F1073-L1077 HydrophobicContact CE1-CD2 4.15Å; F1073-L1077 WeakPolarHBondContact O-CB 3.32Å; F1073-L1077 PolarHBondContact O-N 3.31Å; F1074-L1077 PolarHBondContact O-N 3.44Å; L1077-S1080 WeakPolarHBondContact CA-OG 3.45Å; L1077-S1080 PolarHBondContact O-OG 3.16Å; L1077-C1081 WeakPolarHBondContact O-CB 3.48Å; L1077-C1081 PolarHBondContact O-N 3.45Å; L1077-C1081 VanDerWaalsContact O-N 3.1Å; L1077-C1081 PolarHBondContact O-SG 2.96Å
1078L92.4Very high90.3Very high46 Ų4637.4 Ų37.424%0.24118%0.179CC..Hα-helixtrans-73.3-40.4177.2-66.4173000111.5F959 T967 A970 F1074 V1075 C1081 Q1082F959-L1078 HydrophobicContact CE2-CD2 3.94Å; F959-L1078 HydrophobicContact CZ-CD2 4.43Å; T967-L1078 HydrophobicContact CG2-CB 3.83Å; A970-L1078 HydrophobicContact CB-CD1 3.88Å; F1074-L1078 WeakPolarHBondContact O-CB 3.48Å; F1074-L1078 VanDerWaalsContact O-CG 3.26Å; F1074-L1078 WeakPolarHBondContact O-CG 3.35Å; F1074-L1078 PolarHBondContact O-N 2.85Å; V1075-L1078 PolarHBondContact O-N 3.02Å; L1078-C1081 PolarHBondContact O-N 2.94Å; L1078-Q1082 WeakPolarHBondContact O-CB 3.28Å; L1078-Q1082 PolarHBondContact O-N 2.95Å
1079A92.3Very high89.9Confident1 Ų137.2 Ų37.21%0.00818%0.178CC..Hα-helixtrans-66.9-38.2178.200000112.5W1005 Y1008 V1009 V1075 Q1082 L1083W1005-A1079 HydrophobicContact CZ2-CB 3.97Å; W1005-A1079 PolarHBondContact NE1-O 3.48Å; Y1008-A1079 HydrophobicContact CD1-CB 4.14Å; Y1008-A1079 HydrophobicContact CE1-CB 4.04Å; V1009-A1079 HydrophobicContact CG2-CB 3.88Å; V1009-A1079 WeakPolarHBondContact CG2-O 3.36Å; V1075-A1079 WeakPolarHBondContact O-CB 3.26Å; V1075-A1079 PolarHBondContact O-N 3.08Å; A1079-Q1082 PolarHBondContact O-N 3.09Å; A1079-L1083 WeakPolarHBondContact O-CB 3.35Å; A1079-L1083 PolarHBondContact O-N 3.5Å
1080S90.9Very high89.1Confident22 Ų2239.1 Ų39.115%0.15420%0.198CC..Hα-helixtrans-68.6-38.4172.856.90000112.4I823 L1076 L1077 L1083 A1084I823-S1080 WeakPolarHBondContact CG2-OG 3.38Å; L1076-S1080 VanDerWaalsContact O-CB 3.29Å; L1076-S1080 WeakPolarHBondContact O-CB 3.48Å; L1076-S1080 PolarHBondContact O-N 2.97Å; L1076-S1080 PolarHBondContact O-OG 3.38Å; L1077-S1080 WeakPolarHBondContact CA-OG 3.45Å; L1077-S1080 PolarHBondContact O-OG 3.16Å; S1080-L1083 PolarHBondContact O-N 3.34Å; S1080-A1084 PolarHBondContact O-N 3.46Å; S1080-A1084 VanDerWaalsContact O-N 3.09Å
1081C89.2Confident88.2Confident31 Ų3145.3 Ų45.321%0.20923%0.226CC..Hα-helixtrans-61.8-41.9169.2-71.90000111.8F959 L1077 L1078 L1083 A1084 V1085F959-C1081 HydrophobicContact CD1-CB 4.41Å; F959-C1081 HydrophobicContact CE1-CB 3.58Å; F959-C1081 HydrophobicContact CZ-CB 3.88Å; L1077-C1081 WeakPolarHBondContact O-CB 3.48Å; L1077-C1081 PolarHBondContact O-N 3.45Å; L1077-C1081 VanDerWaalsContact O-N 3.1Å; L1077-C1081 PolarHBondContact O-SG 2.96Å; L1078-C1081 PolarHBondContact O-N 2.94Å; C1081-L1083 VanDerWaalsContact C-N 3.35Å; C1081-A1084 WeakPolarHBondContact O-CB 3.16Å; C1081-A1084 PolarHBondContact O-N 3.16Å; C1081-A1084 VanDerWaalsContact O-N 3.15Å; C1081-V1085 PolarHBondContact O-N 2.97Å
1082Q91.5Very high87.4Confident0 Ų050.1 Ų50.10%025%0.249CC..Hα-helixtrans-68.9-32.4178.4-17955.423.200112F959 G963 T967 W1005 L1078 A1079 A1084 V1085 F1086F959-Q1082 HydrophobicContact CE1-CB 4.28Å; F959-Q1082 HydrophobicContact CZ-CB 4.22Å; G963-Q1082 VanDerWaalsContact CA-OE1 3.31Å; T967-Q1082 HydrophobicContact CG2-CB 4.15Å; W1005-Q1082 HydrophobicContact CZ2-CB 4.13Å; W1005-Q1082 HydrophobicContact CZ2-CG 3.96Å; L1078-Q1082 WeakPolarHBondContact O-CB 3.28Å; L1078-Q1082 PolarHBondContact O-N 2.95Å; A1079-Q1082 PolarHBondContact O-N 3.09Å; Q1082-A1084 VanDerWaalsContact C-N 3.33Å; Q1082-V1085 WeakPolarHBondContact O-CB 3.33Å; Q1082-V1085 PolarHBondContact O-N 2.91Å; Q1082-F1086 HydrophobicContact CG-CD2 4.01Å; Q1082-F1086 HydrophobicContact CG-CE2 3.73Å; Q1082-F1086 HydrophobicContact CG-CZ 4.22Å; Q1082-F1086 PolarHBondContact O-N 3.47Å
1083L90.9Very high86.7Confident21 Ų2150.2 Ų50.211%0.1125%0.249CC..Hα-helixtrans-63.7-38.2169.4179.159.4000111.8V1006 V1009 A1079 S1080 C1081 V1085 F1086 R1087V1006-L1083 HydrophobicContact CG2-CD1 3.92Å; V1009-L1083 HydrophobicContact CB-CD2 4.25Å; V1009-L1083 HydrophobicContact CG1-CD2 4.13Å; V1009-L1083 HydrophobicContact CG2-CB 4.2Å; V1009-L1083 HydrophobicContact CG2-CD2 4.19Å; A1079-L1083 WeakPolarHBondContact O-CB 3.35Å; A1079-L1083 PolarHBondContact O-N 3.5Å; S1080-L1083 PolarHBondContact O-N 3.34Å; C1081-L1083 VanDerWaalsContact C-N 3.35Å; L1083-V1085 VanDerWaalsContact C-N 3.3Å; L1083-V1085 PolarHBondContact O-N 2.97Å; L1083-F1086 PolarHBondContact O-N 3.49Å; L1083-R1087 HydrophobicContact CD1-CG 4.47Å; L1083-R1087 WeakPolarHBondContact O-CG 3.36Å; L1083-R1087 PolarHBondContact O-N 2.96Å
1084A86.8Confident85.7Confident49 Ų4952.5 Ų52.541%0.40526%0.262SS..Hα-helixtrans-67.9-28.2173.500000113S1080 C1081 Q1082 R1088S1080-A1084 PolarHBondContact O-N 3.46Å; S1080-A1084 VanDerWaalsContact O-N 3.09Å; C1081-A1084 WeakPolarHBondContact O-CB 3.16Å; C1081-A1084 PolarHBondContact O-N 3.16Å; C1081-A1084 VanDerWaalsContact O-N 3.15Å; Q1082-A1084 VanDerWaalsContact C-N 3.33Å; A1084-R1088 WeakPolarHBondContact O-CG 3.39Å
1085V88.3Confident84.9Confident15 Ų1550.2 Ų50.29%0.09126%0.256CS..Hα-helixtrans-70.9-52.1169.31720000110.6F959 Y960 C1081 Q1082 L1083 R1087 R1088 E1089F959-V1085 HydrophobicContact CD1-CG2 3.91Å; F959-V1085 HydrophobicContact CE1-CG2 4.11Å; Y960-V1085 HydrophobicContact CD2-CG1 3.83Å; Y960-V1085 HydrophobicContact CE2-CG1 4.34Å; C1081-V1085 PolarHBondContact O-N 2.97Å; Q1082-V1085 WeakPolarHBondContact O-CB 3.33Å; Q1082-V1085 PolarHBondContact O-N 2.91Å; L1083-V1085 VanDerWaalsContact C-N 3.3Å; L1083-V1085 PolarHBondContact O-N 2.97Å; V1085-R1087 PolarHBondContact O-N 2.9Å; V1085-R1087 VanDerWaalsContact O-N 3.17Å; V1085-R1088 CarbonylContact O-C 3.57Å; V1085-R1088 WeakPolarHBondContact O-CA 3.23Å; V1085-R1088 PolarHBondContact O-N 3.35Å; V1085-E1089 WeakPolarHBondContact O-CB 3.37Å; V1085-E1089 PolarHBondContact O-N 2.04Å
1086F89.4Confident84Confident15 Ų1551.7 Ų51.77%0.06626%0.264CS..Hα-helixtrans-60-27.9-179.8-76.8-39.1000114L964 R1002 W1005 Q1082 L1083 R1088L964-F1086 HydrophobicContact CD1-CZ 4.4Å; R1002-F1086 HydrophobicContact CB-CD1 4.21Å; R1002-F1086 HydrophobicContact CB-CE1 4.21Å; R1002-F1086 HydrophobicContact CB-CG 4.47Å; R1002-F1086 HydrophobicContact CB-CZ 4.47Å; R1002-F1086 HydrophobicContact CG-CB 4.14Å; R1002-F1086 HydrophobicContact CG-CD1 3.95Å; R1002-F1086 HydrophobicContact CG-CE1 4.47Å; R1002-F1086 HydrophobicContact CG-CG 4.01Å; W1005-F1086 HydrophobicContact CB-CD2 4.03Å; W1005-F1086 HydrophobicContact CB-CE2 3.93Å; W1005-F1086 AromaticContact CD1-CD2 3.89Å; W1005-F1086 HydrophobicContact CD2-CD2 4.4Å; W1005-F1086 AromaticContact CD2-CE2 3.78Å; W1005-F1086 HydrophobicContact CD2-CE2 3.78Å; W1005-F1086 HydrophobicContact CE3-CE2 4.23Å; W1005-F1086 AromaticContact CG-CD2 3.82Å; W1005-F1086 HydrophobicContact CG-CD2 3.82Å; W1005-F1086 AromaticContact CG-CE2 3.62Å; W1005-F1086 HydrophobicContact CG-CE2 3.62Å; Q1082-F1086 HydrophobicContact CG-CD2 4.01Å; Q1082-F1086 HydrophobicContact CG-CE2 3.73Å; Q1082-F1086 HydrophobicContact CG-CZ 4.22Å; Q1082-F1086 PolarHBondContact O-N 3.47Å; L1083-F1086 PolarHBondContact O-N 3.49Å; F1086-R1088 VanDerWaalsContact C-N 3.31Å
1087R86.8Confident83Confident191 Ų19153 Ų5372%0.72127%0.269SS*.THydrogen-bonded Turntrans-75.2-13.3172.1-73.4177.7-178.6177.12.1114.4L1083 V1085L1083-R1087 HydrophobicContact CD1-CG 4.47Å; L1083-R1087 WeakPolarHBondContact O-CG 3.36Å; L1083-R1087 PolarHBondContact O-N 2.96Å; V1085-R1087 PolarHBondContact O-N 2.9Å; V1085-R1087 VanDerWaalsContact O-N 3.17Å
1088R84.9Confident81.8Confident199 Ų19957 Ų5775%0.75129%0.29SS*.THydrogen-bonded Turntrans-110.2-13.2178.6-68177.3177.7177.30.7113.4A1084 V1085 F1086A1084-R1088 WeakPolarHBondContact O-CG 3.39Å; V1085-R1088 CarbonylContact O-C 3.57Å; V1085-R1088 WeakPolarHBondContact O-CA 3.23Å; V1085-R1088 PolarHBondContact O-N 3.35Å; F1086-R1088 VanDerWaalsContact C-N 3.31Å
1089E80.2Confident80.4Confident14 Ų1462 Ų627%0.06532%0.317CS..  trans-81.7119.8-173.3-179.2174.1136.800112.4R998 V1085 N1093R998-E1089 IonicContact CZ-OE1 2.66Å; R998-E1089 IonicContact CZ-OE2 2.61Å; R998-E1089 IonicContact NE-OE1 2.88Å; R998-E1089 PolarHBondContact NE-OE1 3.21Å; R998-E1089 IonicContact NE-OE2 2.85Å; R998-E1089 VanDerWaalsContact NH2-CD 3.32Å; R998-E1089 IonicContact NH2-OE1 2.75Å; R998-E1089 PolarHBondContact NH2-OE1 3.07Å; R998-E1089 VanDerWaalsContact NH2-OE1 3.11Å; R998-E1089 IonicContact NH2-OE2 3.62Å; R998-E1089 PolarHBondContact NH2-OE2 3.28Å; V1085-E1089 WeakPolarHBondContact O-CB 3.37Å; V1085-E1089 PolarHBondContact O-N 2.04Å; E1089-N1093 VanDerWaalsContact CD-ND2 3.25Å; E1089-N1093 HydrophobicContact CG-CB 4.06Å; E1089-N1093 WeakPolarHBondContact OE1-CB 3.38Å; E1089-N1093 PolarHBondContact OE2-ND2 3.22Å
1090G73.2Confident79Confident41 Ų4164.2 Ų64.242%0.42334%0.34SS..  trans-86.1-130.5168.500000112.5
1091E73.5Confident77.8Confident172 Ų17269.5 Ų69.580%0.80437%0.367SS*.SBendtrans-88.9-12.6179.4-60.4-176.9164.100113.5N1093 D1094E1091-N1093 PolarHBondContact O-N 3.47Å; E1091-D1094 PolarHBondContact O-N 2.96Å
1092D72.5Confident76.9Confident115 Ų11569.5 Ų69.562%0.61536%0.363SS*.THydrogen-bonded Turntrans-50.5-16.9-173.6-79.71.4000117.7K961K961-D1092 PolarHBondContact NZ-O 3.3Å
1093N76.7Confident75.8Confident2 Ų274.4 Ų74.41%0.01139%0.393CS..THydrogen-bonded Turntrans-120.5-7.6-167-83.7-8000114.1Y960 K961 R998 E1089 E1091 R1277Y960-N1093 PolarHBondContact O-ND2 3.11Å; K961-N1093 WeakPolarHBondContact CD-OD1 3.43Å; K961-N1093 WeakPolarHBondContact CE-OD1 3.33Å; K961-N1093 PolarHBondContact NZ-OD1 2.62Å; R998-N1093 PolarHBondContact NH2-ND2 3.23Å; E1089-N1093 VanDerWaalsContact CD-ND2 3.25Å; E1089-N1093 HydrophobicContact CG-CB 4.06Å; E1089-N1093 WeakPolarHBondContact OE1-CB 3.38Å; E1089-N1093 PolarHBondContact OE2-ND2 3.22Å; E1091-N1093 PolarHBondContact O-N 3.47Å; N1093-R1277 PolarHBondContact O-NH1 2.95Å; N1093-R1277 PolarHBondContact O-NH2 3.31Å
1094D70.9Confident75.1Confident51 Ų5173.8 Ų73.827%0.27339%0.39SS..SBendtrans-68167.3179.2-78.3-34.5000112.4E1091E1091-D1094 PolarHBondContact O-N 2.96Å
1095S74.8Confident74.5Confident39 Ų3977 Ų7727%0.27340%0.395SS..  trans-80.5155.1-174.475.60000112.4Y1097 N1098S1095-Y1097 PolarHBondContact O-N 3.31Å; S1095-Y1097 VanDerWaalsContact O-N 3.16Å; S1095-Y1097 PolarHBondContact OG-N 3.38Å; S1095-N1098 PolarHBondContact O-OD1 2.67Å
1096I74.9Confident73.8Confident40 Ų4080.6 Ų80.621%0.20542%0.418CS..SBendtrans-66.3-16.8173.8-58.5169.6000112.2H1280 W1282I1096-H1280 VanDerWaalsContact CD1-O 3.23Å; I1096-H1280 WeakPolarHBondContact CD1-O 3.25Å; I1096-H1280 WeakPolarHBondContact CG1-O 3.38Å; I1096-W1282 HydrophobicContact CD1-CB 4.11Å; I1096-W1282 HydrophobicContact CD1-CD2 3.56Å; I1096-W1282 HydrophobicContact CD1-CE3 4.23Å; I1096-W1282 HydrophobicContact CD1-CG 3.47Å; I1096-W1282 VanDerWaalsContact CD1-CG 3.47Å; I1096-W1282 HydrophobicContact CD1-CZ2 4.47Å; I1096-W1282 HydrophobicContact CG1-CD2 4.17Å; I1096-W1282 HydrophobicContact CG1-CG 4.35Å; I1096-W1282 HydrophobicContact CG1-CZ2 4.2Å; I1096-W1282 HydrophobicContact CG2-CH2 4.06Å; I1096-W1282 HydrophobicContact CG2-CZ2 4.05Å; I1096-W1282 HydrophobicContact CG2-CZ3 4.31Å
1097Y72.3Confident73.2Confident27 Ų2788 Ų8811%0.10645%0.453CS..  trans-10849.8-171.7-44-43.2000112.6S1095 D1099 G1100 F1102 F1279 H1280S1095-Y1097 PolarHBondContact O-N 3.31Å; S1095-Y1097 VanDerWaalsContact O-N 3.16Å; S1095-Y1097 PolarHBondContact OG-N 3.38Å; Y1097-D1099 VanDerWaalsContact C-N 3.3Å; Y1097-D1099 PolarHBondContact O-N 3.41Å; Y1097-G1100 PolarHBondContact O-N 3.46Å; Y1097-F1102 AromaticContact CD1-CD2 3.86Å; Y1097-F1102 HydrophobicContact CD1-CD2 3.86Å; Y1097-F1102 HydrophobicContact CD1-CE2 4.26Å; Y1097-F1102 HydrophobicContact CD1-CG 4.48Å; Y1097-F1102 HydrophobicContact CD2-CD2 4.15Å; Y1097-F1102 HydrophobicContact CD2-CE2 4.39Å; Y1097-F1102 AromaticContact CE1-CD2 3.51Å; Y1097-F1102 HydrophobicContact CE1-CD2 3.51Å; Y1097-F1102 AromaticContact CE1-CE2 3.46Å; Y1097-F1102 HydrophobicContact CE1-CE2 3.46Å; Y1097-F1102 VanDerWaalsContact CE1-CE2 3.46Å; Y1097-F1102 HydrophobicContact CE1-CG 4.27Å; Y1097-F1102 HydrophobicContact CE1-CZ 4.13Å; Y1097-F1102 AromaticContact CE2-CD2 3.84Å; Y1097-F1102 HydrophobicContact CE2-CD2 3.84Å; Y1097-F1102 AromaticContact CE2-CE2 3.62Å; Y1097-F1102 HydrophobicContact CE2-CE2 3.62Å; Y1097-F1102 HydrophobicContact CG-CD2 4.21Å; Y1097-F1102 AromaticContact CZ-CD2 3.55Å; Y1097-F1102 AromaticContact CZ-CE2 3.12Å; Y1097-F1102 AromaticContact CZ-CZ 3.94Å; Y1097-F1102 WeakPolarHBondContact OH-CE2 3.48Å; Y1097-F1279 PolarHBondContact OH-O 3.23Å; Y1097-H1280 AromaticContact CD2-CE1 3.58Å; Y1097-H1280 AromaticContact CD2-ND1 3.19Å; Y1097-H1280 WeakPolarHBondContact CD2-ND1 3.25Å; Y1097-H1280 AromaticContact CE2-ND1 3.42Å; Y1097-H1280 WeakPolarHBondContact CE2-ND1 3.19Å
1098N64.8Low72.9Confident105 Ų10580.4 Ų80.456%0.56143%0.427SS*.THydrogen-bonded Turntrans-57.1-42-179.5-74.6-11.5000112.6S1095 G1100S1095-N1098 PolarHBondContact O-OD1 2.67Å; N1098-G1100 VanDerWaalsContact C-N 3.32Å; N1098-G1100 PolarHBondContact O-N 3Å
1099D63.3Low72.6Confident151 Ų15175.3 Ų75.381%0.80742%0.42SS*.THydrogen-bonded Turntrans-84.72.2-175.7-52.3-32.1000114.3Y1097 N1101Y1097-D1099 VanDerWaalsContact C-N 3.3Å; Y1097-D1099 PolarHBondContact O-N 3.41Å; D1099-N1101 PolarHBondContact O-N 2.93Å
1100G63.1Low72.6Confident48 Ų4877.4 Ų77.450%0.49543%0.429SS..SBendtrans73.7-22.3-175.800000115.8Y1097 N1098Y1097-G1100 PolarHBondContact O-N 3.46Å; N1098-G1100 VanDerWaalsContact C-N 3.32Å; N1098-G1100 PolarHBondContact O-N 3Å
1101N66.2Low73Confident134 Ų13479 Ų7972%0.71742%0.423SS*.  trans-82.8120.1176-76.3-32.4000112.1D1099 V1103D1099-N1101 PolarHBondContact O-N 2.93Å; N1101-V1103 PolarHBondContact O-N 3.3Å
1102F69.1Low73.4Confident30 Ų3072.4 Ų72.413%0.13239%0.393CS..  trans-87.6103.8176.1-164.2-68.2000110.9Y1097 I1104 M1172 F1179 M1288Y1097-F1102 AromaticContact CD1-CD2 3.86Å; Y1097-F1102 HydrophobicContact CD1-CD2 3.86Å; Y1097-F1102 HydrophobicContact CD1-CE2 4.26Å; Y1097-F1102 HydrophobicContact CD1-CG 4.48Å; Y1097-F1102 HydrophobicContact CD2-CD2 4.15Å; Y1097-F1102 HydrophobicContact CD2-CE2 4.39Å; Y1097-F1102 AromaticContact CE1-CD2 3.51Å; Y1097-F1102 HydrophobicContact CE1-CD2 3.51Å; Y1097-F1102 AromaticContact CE1-CE2 3.46Å; Y1097-F1102 HydrophobicContact CE1-CE2 3.46Å; Y1097-F1102 VanDerWaalsContact CE1-CE2 3.46Å; Y1097-F1102 HydrophobicContact CE1-CG 4.27Å; Y1097-F1102 HydrophobicContact CE1-CZ 4.13Å; Y1097-F1102 AromaticContact CE2-CD2 3.84Å; Y1097-F1102 HydrophobicContact CE2-CD2 3.84Å; Y1097-F1102 AromaticContact CE2-CE2 3.62Å; Y1097-F1102 HydrophobicContact CE2-CE2 3.62Å; Y1097-F1102 HydrophobicContact CG-CD2 4.21Å; Y1097-F1102 AromaticContact CZ-CD2 3.55Å; Y1097-F1102 AromaticContact CZ-CE2 3.12Å; Y1097-F1102 AromaticContact CZ-CZ 3.94Å; Y1097-F1102 WeakPolarHBondContact OH-CE2 3.48Å; F1102-I1104 HydrophobicContact CE1-CG1 4.17Å; F1102-M1172 HydrophobicContact CB-CE 4.45Å; F1102-M1172 HydrophobicContact CD1-CE 3.47Å; F1102-M1172 VanDerWaalsContact CD1-CE 3.47Å; F1102-M1172 HydrophobicContact CD1-SD 4.45Å; F1102-M1172 HydrophobicContact CE1-CE 4.01Å; F1102-M1172 HydrophobicContact CE1-SD 4.46Å; F1102-M1172 HydrophobicContact CG-CE 4.22Å; F1102-F1179 HydrophobicContact CB-CB 4.17Å; F1102-F1179 HydrophobicContact CD1-CB 4.13Å; F1102-F1179 HydrophobicContact CD1-CG 4.47Å; F1102-F1179 HydrophobicContact CD2-CB 3.96Å; F1102-F1179 AromaticContact CD2-CD1 3.18Å; F1102-F1179 HydrophobicContact CD2-CD1 3.18Å; F1102-F1179 AromaticContact CD2-CE1 3.77Å; F1102-F1179 HydrophobicContact CD2-CE1 3.77Å; F1102-F1179 AromaticContact CD2-CG 3.7Å; F1102-F1179 HydrophobicContact CD2-CG 3.7Å; F1102-F1179 HydrophobicContact CE1-CB 4.5Å; F1102-F1179 HydrophobicContact CE1-CG 4.47Å; F1102-F1179 HydrophobicContact CE2-CB 4.3Å; F1102-F1179 AromaticContact CE2-CD1 3.23Å; F1102-F1179 HydrophobicContact CE2-CD1 3.23Å; F1102-F1179 HydrophobicContact CE2-CD2 4.2Å; F1102-F1179 AromaticContact CE2-CE1 3.4Å; F1102-F1179 HydrophobicContact CE2-CE1 3.4Å; F1102-F1179 VanDerWaalsContact CE2-CE1 3.4Å; F1102-F1179 HydrophobicContact CE2-CE2 4.35Å; F1102-F1179 AromaticContact CE2-CG 3.66Å; F1102-F1179 HydrophobicContact CE2-CG 3.66Å; F1102-F1179 AromaticContact CE2-CZ 3.98Å; F1102-F1179 HydrophobicContact CE2-CZ 3.98Å; F1102-F1179 HydrophobicContact CG-CB 3.84Å; F1102-F1179 AromaticContact CG-CD1 3.97Å; F1102-F1179 HydrophobicContact CG-CD1 3.97Å; F1102-F1179 HydrophobicContact CG-CG 4.1Å; F1102-F1179 HydrophobicContact CZ-CD1 4.09Å; F1102-F1179 HydrophobicContact CZ-CD2 4.31Å; F1102-F1179 HydrophobicContact CZ-CE1 4.32Å; F1102-F1179 HydrophobicContact CZ-CG 4.07Å; F1102-M1288 HydrophobicContact CE1-CE 3.85Å; F1102-M1288 HydrophobicContact CE1-SD 3.86Å; F1102-M1288 HydrophobicContact CZ-CE 4.04Å; F1102-M1288 HydrophobicContact CZ-SD 3.57Å; F1102-M1288 VanDerWaalsContact CZ-SD 3.57Å
1103V70.2Confident74.1Confident103 Ų10367 Ų6762%0.62436%0.364SS*.  trans-113.3128.4172-176.10000109N1101 K1105N1101-V1103 PolarHBondContact O-N 3.3Å; V1103-K1105 PolarHBondContact O-N 2.93Å; V1103-K1105 VanDerWaalsContact O-N 3.15Å
1104I74.9Confident74.5Confident8 Ų867.8 Ų67.84%0.04137%0.368CS..  trans-69.9108.9169.6-58.3175.4000106.9F1102 M1172 M1288 V1289F1102-I1104 HydrophobicContact CE1-CG1 4.17Å; I1104-M1172 HydrophobicContact CD1-SD 3.75Å; I1104-M1172 HydrophobicContact CG1-SD 4.06Å; I1104-M1288 HydrophobicContact CD1-CE 4.44Å; I1104-V1289 HydrophobicContact CG2-CG2 4.42Å
1105K75Confident74.8Confident118 Ų11867.8 Ų67.851%0.51337%0.368SS..  trans-70.3129.2174.7-67.8-172176.6-174.90108.7V1103 E1107 W1282V1103-K1105 PolarHBondContact O-N 2.93Å; V1103-K1105 VanDerWaalsContact O-N 3.15Å; K1105-E1107 VanDerWaalsContact C-N 3.26Å; K1105-E1107 PolarHBondContact O-N 3.47Å; K1105-W1282 HydrophobicContact CD-CH2 4.1Å; K1105-W1282 HydrophobicContact CD-CZ3 4.19Å
1106P73.2Confident74.7Confident89 Ų8968.5 Ų68.558%0.57837%0.371SS*.SBendtrans-65.6-32.4177.425.2-32.7000111.6
1107E76Confident74.8Confident171 Ų17170.6 Ų70.680%0.79938%0.379SS*.SBendtrans-96.9107.2172.5-62.7-174166.600110.6K1105K1105-E1107 VanDerWaalsContact C-N 3.26Å; K1105-E1107 PolarHBondContact O-N 3.47Å
1108N80.3Confident75Confident31 Ų3177 Ų7717%0.16641%0.407CS..  trans-97.9128171.8-173.4-23.1000108.9Q1110 W1282 H1286N1108-Q1110 PolarHBondContact O-N 3.47Å; N1108-Q1110 VanDerWaalsContact O-N 3.12Å; N1108-Q1110 PolarHBondContact OD1-N 2.97Å; N1108-W1282 PolarHBondContact ND2-O 2.84Å; N1108-H1286 PolarHBondContact ND2-NE2 3.4Å
1109P79Confident75.5Confident93 Ų9373.2 Ų73.260%0.60439%0.389SS*.SBendtrans-65-12.7179.326.7-36.3000114.2W1282P1109-W1282 HydrophobicContact CG-CD2 4.03Å; P1109-W1282 HydrophobicContact CG-CE3 4.13Å; P1109-W1282 HydrophobicContact CG-CG 4.5Å; P1109-W1282 HydrophobicContact CG-CZ2 4.47Å; P1109-W1282 HydrophobicContact CG-CZ3 4.38Å
1110Q79.9Confident76.2Confident58 Ų5874 Ų7427%0.27138%0.381SS..SBendtrans-105.4138174.5-60.1-61.7-21.500111N1108 W1282 Y1283 H1286N1108-Q1110 PolarHBondContact O-N 3.47Å; N1108-Q1110 VanDerWaalsContact O-N 3.12Å; N1108-Q1110 PolarHBondContact OD1-N 2.97Å; Q1110-W1282 HydrophobicContact CG-CB 4.39Å; Q1110-Y1283 HydrophobicContact CB-CD1 4.42Å; Q1110-Y1283 HydrophobicContact CB-CE1 4.01Å; Q1110-Y1283 HydrophobicContact CG-CE1 4.02Å; Q1110-H1286 PolarHBondContact O-NE2 2.94Å
1111Y83.2Confident77.1Confident75 Ų7572.3 Ų72.329%0.29436%0.362SS..  trans-67.9154.8-179.668.1-83.5000113.1F1113 K1118 D1122 H1286Y1111-F1113 PolarHBondContact O-N 3.35Å; Y1111-K1118 HydrophobicContact CE2-CD 4.39Å; Y1111-D1122 PolarHBondContact OH-OD1 3.17Å; Y1111-D1122 PolarHBondContact OH-OD2 3.38Å; Y1111-H1286 PolarHBondContact O-NE2 3.28Å
1112D81.6Confident78.1Confident32 Ų3266 Ų6617%0.17133%0.328CS..  trans-71.8101177.1-171.4-7.9000110.7I1114 D1115 T1116 K1509D1112-I1114 VanDerWaalsContact C-N 3.31Å; D1112-I1114 WeakPolarHBondContact OD1-CA 3.37Å; D1112-I1114 VanDerWaalsContact OD1-CB 3.26Å; D1112-I1114 WeakPolarHBondContact OD1-CB 3.17Å; D1112-I1114 PolarHBondContact OD1-N 3.07Å; D1112-D1115 PolarHBondContact OD1-N 3.04Å; D1112-T1116 PolarHBondContact O-N 3.3Å; D1112-T1116 VanDerWaalsContact O-N 3.1Å; D1112-T1116 PolarHBondContact O-OG1 2.93Å; D1112-K1509 IonicContact OD2-NZ 2.69Å; D1112-K1509 PolarHBondContact OD2-NZ 3.5Å
1113F87.2Confident78.6Confident1 Ų170 Ų700%0.00434%0.343CS..THydrogen-bonded Turntrans-78.9-9.5177.164.7-87.1000113.5Y1111 K1117 D1122 K1125 F1129 Y1283 H1286Y1111-F1113 PolarHBondContact O-N 3.35Å; F1113-K1117 VanDerWaalsContact O-CG 3.27Å; F1113-K1117 WeakPolarHBondContact O-CG 3.38Å; F1113-D1122 HydrophobicContact CB-CB 4.2Å; F1113-K1125 HydrophobicContact CD2-CB 3.78Å; F1113-K1125 HydrophobicContact CE2-CB 4.05Å; F1113-K1125 HydrophobicContact CG-CB 4.27Å; F1113-K1125 HydrophobicContact CG-CD 4.43Å; F1113-F1129 HydrophobicContact CE2-CB 4.4Å; F1113-F1129 HydrophobicContact CZ-CB 4.03Å; F1113-F1129 HydrophobicContact CZ-CD2 4.4Å; F1113-F1129 HydrophobicContact CZ-CG 4.46Å; F1113-Y1283 AromaticContact CD1-CD1 3.9Å; F1113-Y1283 HydrophobicContact CD1-CD1 3.9Å; F1113-Y1283 AromaticContact CE1-CD1 3.72Å; F1113-Y1283 HydrophobicContact CE1-CD1 3.72Å; F1113-Y1283 HydrophobicContact CE1-CG 4.21Å; F1113-Y1283 WeakPolarHBondContact CE1-O 3.44Å; F1113-H1286 HydrophobicContact CE1-CB 4.17Å
1114I83.6Confident79.3Confident20 Ų2071.5 Ų71.510%0.10334%0.341CS..THydrogen-bonded Turntrans-79.8-49177.7-54.7178.5000109.1D1112 K1117 H1286 C1287 E1290D1112-I1114 VanDerWaalsContact C-N 3.31Å; D1112-I1114 WeakPolarHBondContact OD1-CA 3.37Å; D1112-I1114 VanDerWaalsContact OD1-CB 3.26Å; D1112-I1114 WeakPolarHBondContact OD1-CB 3.17Å; D1112-I1114 PolarHBondContact OD1-N 3.07Å; I1114-K1117 WeakPolarHBondContact O-CE 3.07Å; I1114-H1286 HydrophobicContact CD1-CB 4.11Å; I1114-C1287 HydrophobicContact CD1-CB 4.4Å; I1114-E1290 HydrophobicContact CD1-CB 4.26Å; I1114-E1290 HydrophobicContact CG2-CG 4.44Å
1115D77.5Confident79.9Confident50 Ų5071.8 Ų71.827%0.26734%0.342SS..THydrogen-bonded Turntrans-83.2-39.9-180-71.37000112.1D1112 K1509D1112-D1115 PolarHBondContact OD1-N 3.04Å; D1115-K1509 IonicContact OD1-NZ 2.85Å; D1115-K1509 PolarHBondContact OD1-NZ 3.24Å; D1115-K1509 WeakPolarHBondContact OD2-CD 3.49Å; D1115-K1509 IonicContact OD2-NZ 3.68Å; D1115-K1509 PolarHBondContact OD2-NZ 2.95Å
1116T73.5Confident80.4Confident55 Ų5566.6 Ų66.634%0.33732%0.321SS..  trans-110.573.1-175.668.70000112.8D1112 K1118D1112-T1116 PolarHBondContact O-N 3.3Å; D1112-T1116 VanDerWaalsContact O-N 3.1Å; D1112-T1116 PolarHBondContact O-OG1 2.93Å; T1116-K1118 PolarHBondContact O-N 3.17Å; T1116-K1118 VanDerWaalsContact O-N 3.09Å
1117K77.7Confident81Confident84 Ų8467.7 Ų67.737%0.36532%0.317SS..  trans-74.394.2177.5-64.1178.3-174.5-177.50111.2F1113 I1114 D1122 Y1123F1113-K1117 VanDerWaalsContact O-CG 3.27Å; F1113-K1117 WeakPolarHBondContact O-CG 3.38Å; I1114-K1117 WeakPolarHBondContact O-CE 3.07Å; K1117-D1122 HydrophobicContact CB-CB 4.5Å; K1117-Y1123 HydrophobicContact CB-CD2 4.41Å; K1117-Y1123 HydrophobicContact CB-CE2 3.87Å; K1117-Y1123 HydrophobicContact CD-CD1 4.15Å; K1117-Y1123 HydrophobicContact CD-CE1 3.83Å; K1117-Y1123 HydrophobicContact CD-CE2 4.27Å
1118K75.3Confident81.5Confident162 Ų16261.6 Ų61.670%0.70429%0.291SS*.  trans-93.4-32.6-177.3-66.8172.4-175.5170.90112.8Y1111 T1116 D1122Y1111-K1118 HydrophobicContact CE2-CD 4.39Å; T1116-K1118 PolarHBondContact O-N 3.17Å; T1116-K1118 VanDerWaalsContact O-N 3.09Å; K1118-D1122 WeakPolarHBondContact CA-OD2 3.42Å; K1118-D1122 PolarHBondContact N-OD2 3.18Å
1119S75.6Confident82Confident24 Ų2461.4 Ų61.417%0.16829%0.289CS..SBendtrans-123.9155.6-173.2-178.20000111.5V1121 D1122S1119-V1121 PolarHBondContact O-N 3.21Å; S1119-V1121 PolarHBondContact OG-N 3.36Å; S1119-D1122 PolarHBondContact N-OD2 3.5Å; S1119-D1122 WeakPolarHBondContact O-CB 3.04Å; S1119-D1122 PolarHBondContact O-N 3.01Å
1120Y77.2Confident82.3Confident167 Ų16757.5 Ų57.566%0.65526%0.263SS*.Hα-helixtrans-59.5-25.8166.5-76.4-78.4000112.2D1122 Y1123 F1124Y1120-D1122 PolarHBondContact O-N 3.36Å; Y1120-Y1123 PolarHBondContact O-N 3.35Å; Y1120-F1124 PolarHBondContact O-N 3.2Å
1121V83.9Confident82.7Confident14 Ų1459.1 Ų59.19%0.08527%0.267CS..Hα-helixtrans-61.7-32.3172-177.90000111S1119 F1124 K1125S1119-V1121 PolarHBondContact O-N 3.21Å; S1119-V1121 PolarHBondContact OG-N 3.36Å; V1121-F1124 WeakPolarHBondContact O-CB 3.46Å; V1121-F1124 PolarHBondContact O-N 3.44Å; V1121-K1125 HydrophobicContact CG1-CG 4.49Å; V1121-K1125 WeakPolarHBondContact O-CG 3.41Å; V1121-K1125 PolarHBondContact O-N 3.08Å
1122D85.3Confident82.8Confident0 Ų055.9 Ų55.90%026%0.257CS..Hα-helixtrans-74.5-33.3-179.2-53.8-26.9000112.1Y1111 F1113 K1117 K1118 S1119 Y1120 F1124 K1125 S1126Y1111-D1122 PolarHBondContact OH-OD1 3.17Å; Y1111-D1122 PolarHBondContact OH-OD2 3.38Å; F1113-D1122 HydrophobicContact CB-CB 4.2Å; K1117-D1122 HydrophobicContact CB-CB 4.5Å; K1118-D1122 WeakPolarHBondContact CA-OD2 3.42Å; K1118-D1122 PolarHBondContact N-OD2 3.18Å; S1119-D1122 PolarHBondContact N-OD2 3.5Å; S1119-D1122 WeakPolarHBondContact O-CB 3.04Å; S1119-D1122 PolarHBondContact O-N 3.01Å; Y1120-D1122 PolarHBondContact O-N 3.36Å; D1122-F1124 VanDerWaalsContact C-N 3.34Å; D1122-K1125 PolarHBondContact O-N 3.23Å; D1122-S1126 VanDerWaalsContact O-CB 3.27Å; D1122-S1126 WeakPolarHBondContact O-CB 3.08Å; D1122-S1126 PolarHBondContact O-N 2.63Å
1123Y80.7Confident83.1Confident114 Ų11454.6 Ų54.645%0.44725%0.249SC..Hα-helixtrans-63.8-41.2168.9-74.4-93000111.1K1117 Y1120 S1126 F1127K1117-Y1123 HydrophobicContact CB-CD2 4.41Å; K1117-Y1123 HydrophobicContact CB-CE2 3.87Å; K1117-Y1123 HydrophobicContact CD-CD1 4.15Å; K1117-Y1123 HydrophobicContact CD-CE1 3.83Å; K1117-Y1123 HydrophobicContact CD-CE2 4.27Å; Y1120-Y1123 PolarHBondContact O-N 3.35Å; Y1123-S1126 WeakPolarHBondContact O-CB 3.42Å; Y1123-S1126 PolarHBondContact O-N 3.33Å; Y1123-F1127 PolarHBondContact O-N 3.11Å
1124F84Confident83.1Confident135 Ų13556.8 Ų56.859%0.59226%0.258SS*.Hα-helixtrans-67.1-42.4175.7-173.8-103.7000112.2Y1120 V1121 D1122 S1126 F1127 V1128Y1120-F1124 PolarHBondContact O-N 3.2Å; V1121-F1124 WeakPolarHBondContact O-CB 3.46Å; V1121-F1124 PolarHBondContact O-N 3.44Å; D1122-F1124 VanDerWaalsContact C-N 3.34Å; F1124-S1126 PolarHBondContact O-N 3.42Å; F1124-F1127 WeakPolarHBondContact O-CB 3.38Å; F1124-F1127 PolarHBondContact O-N 3.32Å; F1124-V1128 HydrophobicContact CD1-CG2 4.39Å; F1124-V1128 HydrophobicContact CE1-CG2 3.99Å; F1124-V1128 HydrophobicContact CE2-CG2 4.41Å; F1124-V1128 HydrophobicContact CZ-CG2 4Å; F1124-V1128 WeakPolarHBondContact O-CG2 3.06Å; F1124-V1128 PolarHBondContact O-N 2.72Å
1125K87.9Confident83.3Confident14 Ų1458.9 Ų58.96%0.06127%0.269CS..Hα-helixtrans-57.9-47170.2-73.5-179.6-179.4-171.40111.3D944 F1113 V1121 D1122 F1127 V1128 F1129 Y1283D944-K1125 WeakPolarHBondContact OD1-CE 3.38Å; D944-K1125 IonicContact OD1-NZ 3.61Å; D944-K1125 PolarHBondContact OD1-NZ 3.23Å; D944-K1125 IonicContact OD2-NZ 3.71Å; D944-K1125 PolarHBondContact OD2-NZ 3.23Å; F1113-K1125 HydrophobicContact CD2-CB 3.78Å; F1113-K1125 HydrophobicContact CE2-CB 4.05Å; F1113-K1125 HydrophobicContact CG-CB 4.27Å; F1113-K1125 HydrophobicContact CG-CD 4.43Å; V1121-K1125 HydrophobicContact CG1-CG 4.49Å; V1121-K1125 WeakPolarHBondContact O-CG 3.41Å; V1121-K1125 PolarHBondContact O-N 3.08Å; D1122-K1125 PolarHBondContact O-N 3.23Å; K1125-F1127 VanDerWaalsContact C-N 3.27Å; K1125-F1127 PolarHBondContact O-N 3.21Å; K1125-V1128 PolarHBondContact O-N 2.66Å; K1125-F1129 HydrophobicContact CB-CD2 4.04Å; K1125-F1129 HydrophobicContact CB-CE2 4.37Å; K1125-F1129 HydrophobicContact CG-CD2 4.42Å; K1125-F1129 HydrophobicContact CG-CE2 4.26Å; K1125-F1129 WeakPolarHBondContact O-CB 3.32Å; K1125-F1129 VanDerWaalsContact O-CD2 3.28Å; K1125-F1129 WeakPolarHBondContact O-CD2 3.32Å; K1125-F1129 PolarHBondContact O-N 2.93Å; K1125-Y1283 HydrophobicContact CD-CD1 4.43Å; K1125-Y1283 HydrophobicContact CD-CE1 4.09Å; K1125-Y1283 VanDerWaalsContact NZ-CE1 3.32Å; K1125-Y1283 PolarHBondContact NZ-OH 2.97Å
1126S85.5Confident83.9Confident10 Ų1056.7 Ų56.77%0.0726%0.257CS..Hα-helixtrans-57.6-40176.1-176.60000111.6D1122 Y1123 F1124 H1130D1122-S1126 VanDerWaalsContact O-CB 3.27Å; D1122-S1126 WeakPolarHBondContact O-CB 3.08Å; D1122-S1126 PolarHBondContact O-N 2.63Å; Y1123-S1126 WeakPolarHBondContact O-CB 3.42Å; Y1123-S1126 PolarHBondContact O-N 3.33Å; F1124-S1126 PolarHBondContact O-N 3.42Å; S1126-H1130 WeakPolarHBondContact O-CB 3.39Å; S1126-H1130 PolarHBondContact O-N 3.25Å
1127F85.7Confident84.7Confident112 Ų11254.4 Ų54.449%0.49124%0.243SC..Iπ-helixtrans-64.2-53174.9-178.2-103.9000112.3Y1123 F1124 K1125 Y1131 G1132 I1135Y1123-F1127 PolarHBondContact O-N 3.11Å; F1124-F1127 WeakPolarHBondContact O-CB 3.38Å; F1124-F1127 PolarHBondContact O-N 3.32Å; K1125-F1127 VanDerWaalsContact C-N 3.27Å; K1125-F1127 PolarHBondContact O-N 3.21Å; F1127-Y1131 HydrophobicContact CD2-CD2 4.41Å; F1127-Y1131 PolarHBondContact O-N 3.46Å; F1127-G1132 PolarHBondContact O-N 2.92Å; F1127-I1135 HydrophobicContact CE1-CD1 4.2Å; F1127-I1135 HydrophobicContact CE2-CD1 4.5Å; F1127-I1135 HydrophobicContact CZ-CD1 3.82Å
1128V87.8Confident85Confident42 Ų4253.2 Ų53.226%0.25524%0.239SC..Iπ-helixtrans-65.6-51.5-176.6175.50000112.3F1124 K1125 G1132 I1278F1124-V1128 HydrophobicContact CD1-CG2 4.39Å; F1124-V1128 HydrophobicContact CE1-CG2 3.99Å; F1124-V1128 HydrophobicContact CE2-CG2 4.41Å; F1124-V1128 HydrophobicContact CZ-CG2 4Å; F1124-V1128 WeakPolarHBondContact O-CG2 3.06Å; F1124-V1128 PolarHBondContact O-N 2.72Å; K1125-V1128 PolarHBondContact O-N 2.66Å; V1128-G1132 WeakPolarHBondContact O-CA 3.45Å; V1128-G1132 PolarHBondContact O-N 3.03Å; V1128-I1278 HydrophobicContact CG1-CD1 3.84Å; V1128-I1278 HydrophobicContact CG1-CG1 4.49Å
1129F89.5Confident85.6Confident28 Ų2846.4 Ų46.412%0.12321%0.212CC..Iπ-helixtrans-81-34-171-68-73000113.9F1113 K1125 I1278 Y1283F1113-F1129 HydrophobicContact CE2-CB 4.4Å; F1113-F1129 HydrophobicContact CZ-CB 4.03Å; F1113-F1129 HydrophobicContact CZ-CD2 4.4Å; F1113-F1129 HydrophobicContact CZ-CG 4.46Å; K1125-F1129 HydrophobicContact CB-CD2 4.04Å; K1125-F1129 HydrophobicContact CB-CE2 4.37Å; K1125-F1129 HydrophobicContact CG-CD2 4.42Å; K1125-F1129 HydrophobicContact CG-CE2 4.26Å; K1125-F1129 WeakPolarHBondContact O-CB 3.32Å; K1125-F1129 VanDerWaalsContact O-CD2 3.28Å; K1125-F1129 WeakPolarHBondContact O-CD2 3.32Å; K1125-F1129 PolarHBondContact O-N 2.93Å; F1129-I1278 HydrophobicContact CD1-CG1 4.47Å; F1129-I1278 HydrophobicContact CD1-CG2 3.93Å; F1129-I1278 HydrophobicContact CE1-CG1 4.21Å; F1129-I1278 HydrophobicContact CE1-CG2 4.37Å; F1129-Y1283 HydrophobicContact CD2-CD2 4.32Å; F1129-Y1283 HydrophobicContact CD2-CG 4.09Å; F1129-Y1283 AromaticContact CE1-CD2 3.93Å; F1129-Y1283 HydrophobicContact CE1-CD2 3.93Å; F1129-Y1283 HydrophobicContact CE1-CG 4.29Å; F1129-Y1283 AromaticContact CE2-CD2 3.58Å; F1129-Y1283 HydrophobicContact CE2-CD2 3.58Å; F1129-Y1283 HydrophobicContact CE2-CE2 4.3Å; F1129-Y1283 AromaticContact CE2-CG 3.8Å; F1129-Y1283 HydrophobicContact CE2-CG 3.8Å; F1129-Y1283 HydrophobicContact CG-CG 4.5Å; F1129-Y1283 AromaticContact CZ-CD2 3.36Å; F1129-Y1283 HydrophobicContact CZ-CD2 3.36Å; F1129-Y1283 HydrophobicContact CZ-CE2 4.19Å; F1129-Y1283 AromaticContact CZ-CG 3.93Å; F1129-Y1283 HydrophobicContact CZ-CG 3.93Å
1130H86.1Confident86.3Confident11 Ų1145.3 Ų45.35%0.05120%0.204CC..Iπ-helixtrans-88-45-178.3-170.867.3000112S1126 H1133 Y1291S1126-H1130 WeakPolarHBondContact O-CB 3.39Å; S1126-H1130 PolarHBondContact O-N 3.25Å; H1130-H1133 PolarHBondContact O-CE1 2.98Å; H1130-H1133 VanDerWaalsContact O-CE1 3.23Å; H1130-H1133 PolarHBondContact O-ND1 3.49Å; H1130-Y1291 AromaticContact CE1-CE1 3.41Å; H1130-Y1291 VanDerWaalsContact CE1-CE1 3.41Å; H1130-Y1291 WeakPolarHBondContact CE1-CE1 3.48Å; H1130-Y1291 AromaticContact CE1-CZ 3.87Å; H1130-Y1291 AromaticContact ND1-CE1 3.76Å; H1130-Y1291 AromaticContact ND1-CZ 3.72Å; H1130-Y1291 PolarHBondContact ND1-OH 2.96Å; H1130-Y1291 PolarHBondContact O-OH 3.38Å
1131Y87Confident86.8Confident91 Ų9137.8 Ų37.836%0.35718%0.175SC..Iπ-helixtrans-97.8-14.5-175.1-60.1-58.8000115.1F1127 H1133 W1134F1127-Y1131 HydrophobicContact CD2-CD2 4.41Å; F1127-Y1131 PolarHBondContact O-N 3.46Å; Y1131-H1133 PolarHBondContact O-N 3.06Å; Y1131-H1133 VanDerWaalsContact O-N 3.11Å; Y1131-W1134 PolarHBondContact O-N 3.4Å
1132G87Confident86.9Confident8 Ų839.2 Ų39.28%0.08219%0.188CC..Hα-helixtrans-54.1-34.5-175.400000115.1F1127 V1128 W1134 I1135 T1136F1127-G1132 PolarHBondContact O-N 2.92Å; V1128-G1132 WeakPolarHBondContact O-CA 3.45Å; V1128-G1132 PolarHBondContact O-N 3.03Å; G1132-W1134 PolarHBondContact O-N 2.94Å; G1132-I1135 WeakPolarHBondContact O-CB 3.5Å; G1132-I1135 PolarHBondContact O-N 2.94Å; G1132-I1135 VanDerWaalsContact O-N 3.12Å; G1132-T1136 WeakPolarHBondContact O-CG2 3.24Å; G1132-T1136 PolarHBondContact O-N 3.31Å
1133H87Confident86.9Confident4 Ų439.7 Ų39.72%0.01919%0.192CC..Hα-helixtrans-63.6-37.3178.973.5-88.2000113.2H1130 Y1131 T1136 L1137 Y1170 Y1291H1130-H1133 PolarHBondContact O-CE1 2.98Å; H1130-H1133 VanDerWaalsContact O-CE1 3.23Å; H1130-H1133 PolarHBondContact O-ND1 3.49Å; Y1131-H1133 PolarHBondContact O-N 3.06Å; Y1131-H1133 VanDerWaalsContact O-N 3.11Å; H1133-T1136 PolarHBondContact O-N 3.34Å; H1133-T1136 PolarHBondContact O-OG1 3.49Å; H1133-L1137 PolarHBondContact O-N 2.84Å; H1133-L1137 VanDerWaalsContact O-N 3.14Å; H1133-Y1170 WeakPolarHBondContact CB-OH 3.38Å; H1133-Y1170 AromaticContact CD2-CE2 3.48Å; H1133-Y1170 VanDerWaalsContact CD2-CE2 3.48Å; H1133-Y1170 WeakPolarHBondContact CD2-CE2 3.24Å; H1133-Y1170 AromaticContact CD2-CZ 3.82Å; H1133-Y1170 PolarHBondContact CD2-OH 2.99Å; H1133-Y1170 AromaticContact CG-CE2 3.91Å; H1133-Y1170 AromaticContact CG-CZ 3.98Å; H1133-Y1170 AromaticContact NE2-CE2 3.56Å; H1133-Y1291 PolarHBondContact CE1-OH 3Å; H1133-Y1291 VanDerWaalsContact CE1-OH 3.27Å
1134W87.9Confident87.1Confident48 Ų4834.2 Ų34.218%0.18217%0.171CC..Hα-helixtrans-62.5-46.2172.9-66.9102.3000110.1Y1131 G1132 T1136 L1137 M1138 L1163 N1167Y1131-W1134 PolarHBondContact O-N 3.4Å; G1132-W1134 PolarHBondContact O-N 2.94Å; W1134-T1136 VanDerWaalsContact C-N 3.27Å; W1134-T1136 PolarHBondContact O-N 2.8Å; W1134-L1137 WeakPolarHBondContact O-CA 3.43Å; W1134-L1137 WeakPolarHBondContact O-CB 3.39Å; W1134-L1137 PolarHBondContact O-N 2.85Å; W1134-M1138 VanDerWaalsContact O-CE 3.31Å; W1134-M1138 WeakPolarHBondContact O-CE 3.33Å; W1134-M1138 WeakPolarHBondContact O-CG 3.49Å; W1134-M1138 PolarHBondContact O-N 2.81Å; W1134-L1163 HydrophobicContact CE3-CD1 3.91Å; W1134-L1163 HydrophobicContact CZ3-CD1 3.57Å; W1134-L1163 HydrophobicContact CZ3-CG 4.43Å; W1134-N1167 WeakPolarHBondContact CZ2-OD1 3.29Å
1135I87.6Confident87.1Confident64 Ų6430.3 Ų30.333%0.32816%0.155SC..Hα-helixtrans-56.2-41.9178.5-57.2175.6000111.1F1127 G1132 L1137 M1138 S1139 F1271F1127-I1135 HydrophobicContact CE1-CD1 4.2Å; F1127-I1135 HydrophobicContact CE2-CD1 4.5Å; F1127-I1135 HydrophobicContact CZ-CD1 3.82Å; G1132-I1135 WeakPolarHBondContact O-CB 3.5Å; G1132-I1135 PolarHBondContact O-N 2.94Å; G1132-I1135 VanDerWaalsContact O-N 3.12Å; I1135-L1137 PolarHBondContact O-N 3.39Å; I1135-M1138 WeakPolarHBondContact O-CB 3.21Å; I1135-M1138 PolarHBondContact O-N 2.78Å; I1135-M1138 VanDerWaalsContact O-N 3.15Å; I1135-S1139 PolarHBondContact O-N 2.99Å; I1135-F1271 HydrophobicContact CG2-CE1 4.14Å
1136T90.3Very high86.7Confident4 Ų431.9 Ų31.93%0.02517%0.171CC..Hα-helixtrans-68.2-33177.462.70000113.7G1132 H1133 W1134 S1139 T1140 W1186 F1271 Q1275G1132-T1136 WeakPolarHBondContact O-CG2 3.24Å; G1132-T1136 PolarHBondContact O-N 3.31Å; H1133-T1136 PolarHBondContact O-N 3.34Å; H1133-T1136 PolarHBondContact O-OG1 3.49Å; W1134-T1136 VanDerWaalsContact C-N 3.27Å; W1134-T1136 PolarHBondContact O-N 2.8Å; T1136-S1139 PolarHBondContact O-N 3.35Å; T1136-T1140 PolarHBondContact O-N 2.96Å; T1136-T1140 VanDerWaalsContact O-N 3.09Å; T1136-T1140 PolarHBondContact O-OG1 3.09Å; T1136-W1186 VanDerWaalsContact OG1-CH2 3.25Å; T1136-W1186 WeakPolarHBondContact OG1-CH2 3.5Å; T1136-F1271 HydrophobicContact CG2-CB 3.9Å; T1136-F1271 HydrophobicContact CG2-CD1 4.17Å; T1136-F1271 HydrophobicContact CG2-CG 4.45Å; T1136-Q1275 HydrophobicContact CG2-CB 3.67Å; T1136-Q1275 HydrophobicContact CG2-CG 3.94Å
1137L88.8Confident86.2Confident7 Ų731.9 Ų31.94%0.03717%0.173CC..Hα-helixtrans-68.3-34.7169.8-67.4176.8000111.8H1133 W1134 I1135 T1140 L1141 M1162 L1163 W1186H1133-L1137 PolarHBondContact O-N 2.84Å; H1133-L1137 VanDerWaalsContact O-N 3.14Å; W1134-L1137 WeakPolarHBondContact O-CA 3.43Å; W1134-L1137 WeakPolarHBondContact O-CB 3.39Å; W1134-L1137 PolarHBondContact O-N 2.85Å; I1135-L1137 PolarHBondContact O-N 3.39Å; L1137-T1140 WeakPolarHBondContact CA-OG1 3.49Å; L1137-T1140 PolarHBondContact O-OG1 3.36Å; L1137-L1141 WeakPolarHBondContact O-CB 3.44Å; L1137-L1141 PolarHBondContact O-N 3.36Å; L1137-M1162 HydrophobicContact CD1-CB 4.32Å; L1137-M1162 HydrophobicContact CD2-CB 3.82Å; L1137-M1162 HydrophobicContact CD2-CG 4.46Å; L1137-L1163 HydrophobicContact CD1-CD1 4.5Å; L1137-W1186 HydrophobicContact CD2-CH2 3.8Å; L1137-W1186 HydrophobicContact CD2-CZ2 4.3Å; L1137-W1186 HydrophobicContact CD2-CZ3 4.5Å; L1137-W1186 HydrophobicContact CG-CH2 4Å; L1137-W1186 HydrophobicContact CG-CZ2 4.48Å
1138M85.3Confident85.8Confident59 Ų5927.7 Ų27.729%0.29116%0.156SC..Hα-helixtrans-63.8-44.2172.9-49-58.186.700110.6W1134 I1135 T1140 L1141 A1142 L1163 F1680W1134-M1138 VanDerWaalsContact O-CE 3.31Å; W1134-M1138 WeakPolarHBondContact O-CE 3.33Å; W1134-M1138 WeakPolarHBondContact O-CG 3.49Å; W1134-M1138 PolarHBondContact O-N 2.81Å; I1135-M1138 WeakPolarHBondContact O-CB 3.21Å; I1135-M1138 PolarHBondContact O-N 2.78Å; I1135-M1138 VanDerWaalsContact O-N 3.15Å; M1138-T1140 VanDerWaalsContact C-N 3.34Å; M1138-T1140 PolarHBondContact O-N 3.41Å; M1138-L1141 PolarHBondContact O-N 2.99Å; M1138-A1142 WeakPolarHBondContact O-CB 3.27Å; M1138-A1142 PolarHBondContact O-N 2.82Å; M1138-L1163 HydrophobicContact CE-CD1 4.21Å; M1138-F1680 HydrophobicContact CE-CD1 3.87Å; M1138-F1680 HydrophobicContact CE-CE1 3.2Å; M1138-F1680 HydrophobicContact CE-CE2 4.35Å; M1138-F1680 HydrophobicContact CE-CZ 3.47Å; M1138-F1680 VanDerWaalsContact CE-CZ 3.47Å; M1138-F1680 HydrophobicContact SD-CD1 3.8Å; M1138-F1680 HydrophobicContact SD-CD2 3.95Å; M1138-F1680 HydrophobicContact SD-CE1 3.44Å; M1138-F1680 WeakPolarHBondContact SD-CE1 3.17Å; M1138-F1680 HydrophobicContact SD-CE2 3.54Å; M1138-F1680 VanDerWaalsContact SD-CE2 3.54Å; M1138-F1680 HydrophobicContact SD-CG 4.06Å; M1138-F1680 HydrophobicContact SD-CZ 3.26Å; M1138-F1680 WeakPolarHBondContact SD-CZ 3.49Å
1139S88.4Confident85.6Confident18 Ų1826 Ų2613%0.12615%0.146CC..Hα-helixtrans-63.9-37.7-179.7-1730000112.7I1135 T1136 A1143 F1271I1135-S1139 PolarHBondContact O-N 2.99Å; T1136-S1139 PolarHBondContact O-N 3.35Å; S1139-A1143 PolarHBondContact O-N 3.12Å; S1139-F1271 WeakPolarHBondContact OG-CD2 3.4Å
1140T89.3Confident85.5Confident1 Ų127.9 Ų27.91%0.00616%0.157CC..Hα-helixtrans-76.2-31.717741.60000112T1136 L1137 M1138 G1144 T1159 L1189 A1268 L1272T1136-T1140 PolarHBondContact O-N 2.96Å; T1136-T1140 VanDerWaalsContact O-N 3.09Å; T1136-T1140 PolarHBondContact O-OG1 3.09Å; L1137-T1140 WeakPolarHBondContact CA-OG1 3.49Å; L1137-T1140 PolarHBondContact O-OG1 3.36Å; M1138-T1140 VanDerWaalsContact C-N 3.34Å; M1138-T1140 PolarHBondContact O-N 3.41Å; T1140-G1144 PolarHBondContact O-N 3.15Å; T1140-T1159 WeakPolarHBondContact OG1-CG2 3.11Å; T1140-L1189 HydrophobicContact CG2-CD2 4.25Å; T1140-A1268 HydrophobicContact CG2-CB 4.09Å; T1140-L1272 HydrophobicContact CG2-CD1 4.15Å; T1140-L1272 HydrophobicContact CG2-CD2 4.46Å; T1140-L1272 HydrophobicContact CG2-CG 4.39Å
1141L88.8Confident85.6Confident10 Ų1028.2 Ų28.25%0.05216%0.159CC..Hα-helixtrans-69-40.7171.6-173.873.1000110.4L1137 M1138 A1143 G1144 I1145 I1156 T1159 I1676 F1680L1137-L1141 WeakPolarHBondContact O-CB 3.44Å; L1137-L1141 PolarHBondContact O-N 3.36Å; M1138-L1141 PolarHBondContact O-N 2.99Å; L1141-A1143 VanDerWaalsContact C-N 3.31Å; L1141-A1143 PolarHBondContact O-N 2.76Å; L1141-G1144 CarbonylContact O-C 3.5Å; L1141-G1144 WeakPolarHBondContact O-CA 3.4Å; L1141-G1144 PolarHBondContact O-N 2.93Å; L1141-I1145 HydrophobicContact CD2-CD1 4Å; L1141-I1145 HydrophobicContact CG-CD1 3.68Å; L1141-I1145 HydrophobicContact CG-CG1 4.26Å; L1141-I1145 WeakPolarHBondContact O-CD1 3.22Å; L1141-I1145 VanDerWaalsContact O-CG1 3.29Å; L1141-I1145 WeakPolarHBondContact O-CG1 3.41Å; L1141-I1145 PolarHBondContact O-N 2.82Å; L1141-I1156 HydrophobicContact CD1-CG1 4.21Å; L1141-T1159 HydrophobicContact CB-CG2 4.31Å; L1141-T1159 VanDerWaalsContact CD1-OG1 3.22Å; L1141-T1159 WeakPolarHBondContact CD1-OG1 3.32Å; L1141-I1676 HydrophobicContact CD2-CG2 4.04Å; L1141-F1680 HydrophobicContact CD2-CE1 4.26Å; L1141-F1680 HydrophobicContact CD2-CE2 3.99Å; L1141-F1680 HydrophobicContact CD2-CZ 3.39Å
1142A84.8Confident85.6Confident43 Ų4324 Ų2436%0.35514%0.143SC..Hα-helixtrans-58.1-41.6175.900000112.2M1138 G1144 I1145 A1146M1138-A1142 WeakPolarHBondContact O-CB 3.27Å; M1138-A1142 PolarHBondContact O-N 2.82Å; A1142-G1144 PolarHBondContact O-N 3.33Å; A1142-I1145 PolarHBondContact O-N 3.33Å; A1142-I1145 VanDerWaalsContact O-N 3.16Å; A1142-A1146 WeakPolarHBondContact O-CB 3.4Å; A1142-A1146 PolarHBondContact O-N 3.4Å
1143A85.2Confident85.6Confident10 Ų1025.7 Ų25.78%0.08315%0.15CC..Hα-helixtrans-61.6-31.3171.900000113.1S1139 L1141 Y1155 F1264 A1268S1139-A1143 PolarHBondContact O-N 3.12Å; L1141-A1143 VanDerWaalsContact C-N 3.31Å; L1141-A1143 PolarHBondContact O-N 2.76Å; A1143-Y1155 HydrophobicContact CB-CD2 4.39Å; A1143-Y1155 HydrophobicContact CB-CE1 4.45Å; A1143-Y1155 HydrophobicContact CB-CE2 4.29Å; A1143-F1264 HydrophobicContact CB-CB 4.16Å; A1143-A1268 HydrophobicContact CB-CB 4.39Å
1144G84.6Confident85.7Confident0 Ų026.1 Ų26.10%016%0.156CC..Hα-helixtrans-79.7-18173.200000115.7T1140 L1141 A1142 A1152 I1156T1140-G1144 PolarHBondContact O-N 3.15Å; L1141-G1144 CarbonylContact O-C 3.5Å; L1141-G1144 WeakPolarHBondContact O-CA 3.4Å; L1141-G1144 PolarHBondContact O-N 2.93Å; A1142-G1144 PolarHBondContact O-N 3.33Å; G1144-A1152 WeakPolarHBondContact CA-O 3.25Å; G1144-A1152 WeakPolarHBondContact O-CB 3.31Å; G1144-I1156 WeakPolarHBondContact O-CD1 3.3Å
1145I84.1Confident85.9Confident52 Ų5224 Ų2427%0.26715%0.147SC..Hα-helixtrans-92.8-27.7177.4-61151.1000111.3L1141 A1142 G1147 I1676L1141-I1145 HydrophobicContact CD2-CD1 4Å; L1141-I1145 HydrophobicContact CG-CD1 3.68Å; L1141-I1145 HydrophobicContact CG-CG1 4.26Å; L1141-I1145 WeakPolarHBondContact O-CD1 3.22Å; L1141-I1145 VanDerWaalsContact O-CG1 3.29Å; L1141-I1145 WeakPolarHBondContact O-CG1 3.41Å; L1141-I1145 PolarHBondContact O-N 2.82Å; A1142-I1145 PolarHBondContact O-N 3.33Å; A1142-I1145 VanDerWaalsContact O-N 3.16Å; I1145-G1147 PolarHBondContact O-N 3.1Å; I1145-I1676 HydrophobicContact CD1-CD1 3.31Å; I1145-I1676 HydrophobicContact CD1-CG1 4.15Å; I1145-I1676 HydrophobicContact CD1-CG2 4.44Å; I1145-I1676 HydrophobicContact CG1-CD1 3.76Å; I1145-I1676 HydrophobicContact CG2-CD1 4.07Å
1146A79.3Confident85.9Confident47 Ų4721.2 Ų21.239%0.38813%0.134SC..SBendtrans-68.3-2.3-172.800000115.6A1142 F1264A1142-A1146 WeakPolarHBondContact O-CB 3.4Å; A1142-A1146 PolarHBondContact O-N 3.4Å; A1146-F1264 HydrophobicContact CB-CD1 4.38Å; A1146-F1264 HydrophobicContact CB-CD2 3.52Å; A1146-F1264 HydrophobicContact CB-CE1 4.46Å; A1146-F1264 HydrophobicContact CB-CE2 3.62Å; A1146-F1264 HydrophobicContact CB-CG 3.93Å; A1146-F1264 HydrophobicContact CB-CZ 4.1Å
1147G75Confident85.8Confident11 Ų1125.5 Ų25.511%0.11316%0.155CC..  trans-165.5165.1174.600000111.9I1145 A1152I1145-G1147 PolarHBondContact O-N 3.1Å; G1147-A1152 WeakPolarHBondContact O-CB 3.42Å
1148T77.6Confident85.8Confident24 Ų2429.1 Ų29.115%0.14717%0.171CC..  trans-105.732.3-173.967.50000113E1259 Q1637 F1638T1148-E1259 WeakPolarHBondContact CA-OE1 3.4Å; T1148-E1259 WeakPolarHBondContact CB-OE1 3.38Å; T1148-E1259 VanDerWaalsContact N-CD 3.32Å; T1148-E1259 PolarHBondContact N-OE1 3.46Å; T1148-E1259 PolarHBondContact OG1-OE1 3.47Å; T1148-Q1637 HydrophobicContact CG2-CB 3.68Å; T1148-Q1637 HydrophobicContact CG2-CG 4.37Å; T1148-F1638 WeakPolarHBondContact O-CD1 3.3Å; T1148-F1638 WeakPolarHBondContact O-CE1 3.33Å
1149S84.5Confident86Confident6 Ų626.5 Ų26.54%0.04216%0.158CC..SBendtrans-88.3163.3177.666.10000113.5F1151 A1152 L1153S1149-F1151 PolarHBondContact O-N 3.34Å; S1149-A1152 WeakPolarHBondContact O-CB 3.15Å; S1149-A1152 PolarHBondContact O-N 3.29Å; S1149-A1152 PolarHBondContact OG-N 3.02Å; S1149-L1153 PolarHBondContact O-N 3.24Å; S1149-L1153 VanDerWaalsContact O-N 3.12Å
1150L86.1Confident85.9Confident68 Ų6826.9 Ų26.936%0.35616%0.159SC..Hα-helixtrans-56.5-35170.4-171.272.1000112.2A1152 L1153 G1154 L1230 F1231L1150-A1152 VanDerWaalsContact C-N 3.29Å; L1150-A1152 PolarHBondContact O-N 3.44Å; L1150-L1153 HydrophobicContact CD1-CD2 4.31Å; L1150-L1153 PolarHBondContact O-N 3.35Å; L1150-G1154 PolarHBondContact O-N 2.76Å; L1150-L1230 HydrophobicContact CB-CD2 4.1Å; L1150-L1230 HydrophobicContact CB-CG 4.21Å; L1150-L1230 WeakPolarHBondContact CB-O 3.35Å; L1150-L1230 HydrophobicContact CD1-CD2 4.34Å; L1150-L1230 HydrophobicContact CD2-CD2 3.94Å; L1150-L1230 HydrophobicContact CG-CD2 4.35Å; L1150-L1230 PolarHBondContact N-O 2.72Å; L1150-F1231 HydrophobicContact CD2-CE1 3.83Å; L1150-F1231 HydrophobicContact CD2-CZ 4.04Å
1151F88.8Confident85.8Confident17 Ų1730.7 Ų30.78%0.07518%0.182CC..Hα-helixtrans-63.1-37.6176-58.9-61.1000111.8S1149 G1154 Y1155 Y1192 F1195 T1196 M1199 L1203 F1231S1149-F1151 PolarHBondContact O-N 3.34Å; F1151-G1154 PolarHBondContact O-N 2.78Å; F1151-Y1155 VanDerWaalsContact O-CD2 3.28Å; F1151-Y1155 WeakPolarHBondContact O-CD2 3.19Å; F1151-Y1155 PolarHBondContact O-N 3.37Å; F1151-Y1192 WeakPolarHBondContact CA-OH 3.37Å; F1151-Y1192 PolarHBondContact O-OH 3.44Å; F1151-F1195 HydrophobicContact CE1-CE1 4.49Å; F1151-T1196 HydrophobicContact CB-CG2 4.04Å; F1151-T1196 HydrophobicContact CD1-CG2 3.91Å; F1151-T1196 HydrophobicContact CG-CG2 4.26Å; F1151-M1199 HydrophobicContact CE1-CB 4.37Å; F1151-M1199 HydrophobicContact CZ-CB 4.18Å; F1151-L1203 HydrophobicContact CE2-CD1 4.07Å; F1151-L1203 HydrophobicContact CZ-CD1 4.11Å; F1151-F1231 HydrophobicContact CE2-CD1 4.04Å; F1151-F1231 AromaticContact CZ-CD1 3.88Å; F1151-F1231 HydrophobicContact CZ-CD1 3.88Å; F1151-F1231 HydrophobicContact CZ-CE1 4.4Å
1152A87.1Confident85.7Confident4 Ų430.8 Ų30.83%0.03318%0.182CC..Hα-helixtrans-68.8-40.1176.900000112.2G1144 G1147 S1149 L1150 G1154 Y1155 I1156 F1634G1144-A1152 WeakPolarHBondContact CA-O 3.25Å; G1144-A1152 WeakPolarHBondContact O-CB 3.31Å; G1147-A1152 WeakPolarHBondContact O-CB 3.42Å; S1149-A1152 WeakPolarHBondContact O-CB 3.15Å; S1149-A1152 PolarHBondContact O-N 3.29Å; S1149-A1152 PolarHBondContact OG-N 3.02Å; L1150-A1152 VanDerWaalsContact C-N 3.29Å; L1150-A1152 PolarHBondContact O-N 3.44Å; A1152-G1154 VanDerWaalsContact C-N 3.3Å; A1152-G1154 PolarHBondContact O-N 2.88Å; A1152-Y1155 WeakPolarHBondContact O-CB 3.41Å; A1152-Y1155 PolarHBondContact O-N 2.89Å; A1152-Y1155 VanDerWaalsContact O-N 3.17Å; A1152-I1156 PolarHBondContact O-N 2.91Å; A1152-I1156 VanDerWaalsContact O-N 3.14Å; A1152-F1634 HydrophobicContact CB-CE2 4.32Å; A1152-F1634 HydrophobicContact CB-CZ 4.22Å
1153L87.9Confident85.8Confident42 Ų4229 Ų2922%0.2217%0.167CC..Hα-helixtrans-57.3-42173.2-177.367.8000112.1S1149 L1150 Y1155 I1156 I1157 F1634S1149-L1153 PolarHBondContact O-N 3.24Å; S1149-L1153 VanDerWaalsContact O-N 3.12Å; L1150-L1153 HydrophobicContact CD1-CD2 4.31Å; L1150-L1153 PolarHBondContact O-N 3.35Å; L1153-Y1155 VanDerWaalsContact C-N 3.34Å; L1153-Y1155 PolarHBondContact O-N 2.83Å; L1153-I1156 PolarHBondContact O-N 3.33Å; L1153-I1157 HydrophobicContact CD1-CD1 4.32Å; L1153-I1157 HydrophobicContact CD2-CD1 4.41Å; L1153-I1157 HydrophobicContact CG-CD1 3.92Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.2Å; L1153-I1157 PolarHBondContact O-N 2.89Å; L1153-F1634 HydrophobicContact CB-CE1 3.87Å; L1153-F1634 HydrophobicContact CB-CZ 4.1Å; L1153-F1634 HydrophobicContact CD1-CD1 4.04Å; L1153-F1634 HydrophobicContact CD1-CE1 3.89Å; L1153-F1634 HydrophobicContact CG-CE1 4.41Å
1154G88.6Confident85.7Confident14 Ų1434.2 Ų34.214%0.14418%0.184CC..Hα-helixtrans-61.4-39.7177.300000113.1L1150 F1151 A1152 I1157 F1158 Y1192L1150-G1154 PolarHBondContact O-N 2.76Å; F1151-G1154 PolarHBondContact O-N 2.78Å; A1152-G1154 VanDerWaalsContact C-N 3.3Å; A1152-G1154 PolarHBondContact O-N 2.88Å; G1154-I1157 PolarHBondContact O-N 3.15Å; G1154-F1158 WeakPolarHBondContact O-CD2 3.26Å; G1154-F1158 PolarHBondContact O-N 3.48Å; G1154-Y1192 WeakPolarHBondContact CA-OH 3.43Å
1155Y91Very high85.6Confident2 Ų235.3 Ų35.31%0.00819%0.192CC..Hα-helixtrans-60.4-45.1172.1-78.6-68.2000112.2A1143 F1151 A1152 L1153 I1157 F1158 T1159 Y1192 T1193 T1196 D1265A1143-Y1155 HydrophobicContact CB-CD2 4.39Å; A1143-Y1155 HydrophobicContact CB-CE1 4.45Å; A1143-Y1155 HydrophobicContact CB-CE2 4.29Å; F1151-Y1155 VanDerWaalsContact O-CD2 3.28Å; F1151-Y1155 WeakPolarHBondContact O-CD2 3.19Å; F1151-Y1155 PolarHBondContact O-N 3.37Å; A1152-Y1155 WeakPolarHBondContact O-CB 3.41Å; A1152-Y1155 PolarHBondContact O-N 2.89Å; A1152-Y1155 VanDerWaalsContact O-N 3.17Å; L1153-Y1155 VanDerWaalsContact C-N 3.34Å; L1153-Y1155 PolarHBondContact O-N 2.83Å; Y1155-I1157 PolarHBondContact O-N 3.41Å; Y1155-F1158 PolarHBondContact O-N 3.37Å; Y1155-T1159 WeakPolarHBondContact O-CB 3.03Å; Y1155-T1159 WeakPolarHBondContact O-CG2 3.37Å; Y1155-T1159 PolarHBondContact O-N 2.84Å; Y1155-T1159 PolarHBondContact O-OG1 2.98Å; Y1155-Y1192 HydrophobicContact CD1-CD1 4.24Å; Y1155-Y1192 HydrophobicContact CD1-CE1 4.14Å; Y1155-Y1192 AromaticContact CD2-CE1 4Å; Y1155-Y1192 HydrophobicContact CD2-CE1 4Å; Y1155-Y1192 HydrophobicContact CE1-CD1 4.11Å; Y1155-Y1192 HydrophobicContact CE1-CE1 4.23Å; Y1155-Y1192 HydrophobicContact CE2-CE1 4.09Å; Y1155-Y1192 HydrophobicContact CG-CE1 4.03Å; Y1155-T1193 HydrophobicContact CE1-CG2 3.55Å; Y1155-T1193 WeakPolarHBondContact OH-CG2 3.2Å; Y1155-T1196 HydrophobicContact CE2-CG2 4.31Å; Y1155-T1196 PolarHBondContact OH-OG1 3.49Å; Y1155-D1265 WeakPolarHBondContact CE2-OD1 3.46Å; Y1155-D1265 VanDerWaalsContact CZ-OD1 3.29Å; Y1155-D1265 PolarHBondContact OH-OD1 3.42Å
1156I88.3Confident85.3Confident7 Ų733.4 Ų33.44%0.03619%0.185CC..Hα-helixtrans-60.4-46.4177.5-65.2170.9000110.4L1141 G1144 A1152 L1153 T1159 L1160 F1634L1141-I1156 HydrophobicContact CD1-CG1 4.21Å; G1144-I1156 WeakPolarHBondContact O-CD1 3.3Å; A1152-I1156 PolarHBondContact O-N 2.91Å; A1152-I1156 VanDerWaalsContact O-N 3.14Å; L1153-I1156 PolarHBondContact O-N 3.33Å; I1156-T1159 WeakPolarHBondContact CA-OG1 3.49Å; I1156-T1159 PolarHBondContact O-N 2.96Å; I1156-T1159 PolarHBondContact O-OG1 3.49Å; I1156-T1159 VanDerWaalsContact O-OG1 3.06Å; I1156-L1160 HydrophobicContact CG2-CD1 3.68Å; I1156-L1160 HydrophobicContact CG2-CG 4.15Å; I1156-L1160 WeakPolarHBondContact O-CB 3.24Å; I1156-L1160 VanDerWaalsContact O-CG 3.29Å; I1156-L1160 WeakPolarHBondContact O-CG 3.49Å; I1156-L1160 PolarHBondContact O-N 3.27Å; I1156-F1634 HydrophobicContact CD1-CD2 3.51Å; I1156-F1634 HydrophobicContact CD1-CE2 3.63Å; I1156-F1634 HydrophobicContact CD1-CG 4.16Å; I1156-F1634 HydrophobicContact CD1-CZ 4.36Å
1157I88.6Confident85.3Confident94 Ų9432.1 Ų32.148%0.48217%0.172SC..Hα-helixtrans-64.2-47.5-179.5-67.5166.8000111.6L1153 G1154 Y1155 T1159 T1161L1153-I1157 HydrophobicContact CD1-CD1 4.32Å; L1153-I1157 HydrophobicContact CD2-CD1 4.41Å; L1153-I1157 HydrophobicContact CG-CD1 3.92Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.2Å; L1153-I1157 PolarHBondContact O-N 2.89Å; G1154-I1157 PolarHBondContact O-N 3.15Å; Y1155-I1157 PolarHBondContact O-N 3.41Å; I1157-T1159 VanDerWaalsContact C-N 3.35Å; I1157-T1159 PolarHBondContact O-N 3.16Å; I1157-T1161 VanDerWaalsContact O-CB 3.31Å; I1157-T1161 WeakPolarHBondContact O-CB 3.35Å; I1157-T1161 PolarHBondContact O-N 3.49Å; I1157-T1161 PolarHBondContact O-OG1 2.93Å
1158F89.5Confident85.4Confident82 Ų8236 Ų3636%0.3619%0.19SC..Hα-helixtrans-62.3-42.2178.2-82.3-61.4000111.9G1154 Y1155 M1162 L1189 Y1192G1154-F1158 WeakPolarHBondContact O-CD2 3.26Å; G1154-F1158 PolarHBondContact O-N 3.48Å; Y1155-F1158 PolarHBondContact O-N 3.37Å; F1158-M1162 WeakPolarHBondContact O-CB 3.31Å; F1158-M1162 VanDerWaalsContact O-CG 3.22Å; F1158-M1162 WeakPolarHBondContact O-CG 3.5Å; F1158-M1162 PolarHBondContact O-N 3.22Å; F1158-L1189 HydrophobicContact CB-CD1 4.13Å; F1158-L1189 HydrophobicContact CG-CD1 4.46Å; F1158-Y1192 HydrophobicContact CD2-CD1 4.33Å; F1158-Y1192 HydrophobicContact CD2-CG 4.28Å; F1158-Y1192 HydrophobicContact CE2-CD1 4.43Å; F1158-Y1192 AromaticContact CE2-CD2 3.87Å; F1158-Y1192 HydrophobicContact CE2-CD2 3.87Å; F1158-Y1192 HydrophobicContact CE2-CE2 4.3Å; F1158-Y1192 AromaticContact CE2-CG 3.94Å; F1158-Y1192 HydrophobicContact CE2-CG 3.94Å
1159T88.8Confident85.5Confident5 Ų535.8 Ų35.83%0.03119%0.188CC..Hα-helixtrans-70.3-46.5-179.351.30000112.5T1140 L1141 Y1155 I1156 I1157 T1161 M1162 L1163T1140-T1159 WeakPolarHBondContact OG1-CG2 3.11Å; L1141-T1159 HydrophobicContact CB-CG2 4.31Å; L1141-T1159 VanDerWaalsContact CD1-OG1 3.22Å; L1141-T1159 WeakPolarHBondContact CD1-OG1 3.32Å; Y1155-T1159 WeakPolarHBondContact O-CB 3.03Å; Y1155-T1159 WeakPolarHBondContact O-CG2 3.37Å; Y1155-T1159 PolarHBondContact O-N 2.84Å; Y1155-T1159 PolarHBondContact O-OG1 2.98Å; I1156-T1159 WeakPolarHBondContact CA-OG1 3.49Å; I1156-T1159 PolarHBondContact O-N 2.96Å; I1156-T1159 PolarHBondContact O-OG1 3.49Å; I1156-T1159 VanDerWaalsContact O-OG1 3.06Å; I1157-T1159 VanDerWaalsContact C-N 3.35Å; I1157-T1159 PolarHBondContact O-N 3.16Å; T1159-T1161 VanDerWaalsContact C-N 3.3Å; T1159-T1161 PolarHBondContact O-N 3.49Å; T1159-M1162 PolarHBondContact O-N 3.12Å; T1159-L1163 WeakPolarHBondContact O-CB 3.48Å; T1159-L1163 PolarHBondContact O-N 3.08Å
1160L87.3Confident85.4Confident26 Ų2635.7 Ų35.714%0.13619%0.187CC..Hα-helixtrans-58.5-41.4174.5-70177.9000111.8I1156 M1162 L1163 W1164 E1627 L1679I1156-L1160 HydrophobicContact CG2-CD1 3.68Å; I1156-L1160 HydrophobicContact CG2-CG 4.15Å; I1156-L1160 WeakPolarHBondContact O-CB 3.24Å; I1156-L1160 VanDerWaalsContact O-CG 3.29Å; I1156-L1160 WeakPolarHBondContact O-CG 3.49Å; I1156-L1160 PolarHBondContact O-N 3.27Å; L1160-M1162 PolarHBondContact O-N 2.97Å; L1160-L1163 PolarHBondContact O-N 3.3Å; L1160-W1164 WeakPolarHBondContact O-CB 3.26Å; L1160-W1164 PolarHBondContact O-N 3.07Å; L1160-E1627 HydrophobicContact CD2-CG 4.4Å; L1160-L1679 HydrophobicContact CD2-CD2 3.84Å
1161T86.1Confident84.8Confident81 Ų8133.3 Ų33.350%0.49718%0.175SC..Hα-helixtrans-62.5-42.9176.9-57.20000112.1I1157 T1159 S1165I1157-T1161 VanDerWaalsContact O-CB 3.31Å; I1157-T1161 WeakPolarHBondContact O-CB 3.35Å; I1157-T1161 PolarHBondContact O-N 3.49Å; I1157-T1161 PolarHBondContact O-OG1 2.93Å; T1159-T1161 VanDerWaalsContact C-N 3.3Å; T1159-T1161 PolarHBondContact O-N 3.49Å; T1161-S1165 PolarHBondContact O-N 2.98Å
1162M87.6Confident84Confident11 Ų1133.2 Ų33.25%0.05418%0.175CC..Hα-helixtrans-69.4-42.2176.4-68.6-75.9-94.700111.4L1137 F1158 T1159 L1160 W1164 S1165 G1166 L1169 R1185 W1186L1137-M1162 HydrophobicContact CD1-CB 4.32Å; L1137-M1162 HydrophobicContact CD2-CB 3.82Å; L1137-M1162 HydrophobicContact CD2-CG 4.46Å; F1158-M1162 WeakPolarHBondContact O-CB 3.31Å; F1158-M1162 VanDerWaalsContact O-CG 3.22Å; F1158-M1162 WeakPolarHBondContact O-CG 3.5Å; F1158-M1162 PolarHBondContact O-N 3.22Å; T1159-M1162 PolarHBondContact O-N 3.12Å; L1160-M1162 PolarHBondContact O-N 2.97Å; M1162-W1164 PolarHBondContact O-N 3.16Å; M1162-S1165 PolarHBondContact O-N 3.26Å; M1162-S1165 VanDerWaalsContact O-N 3.16Å; M1162-S1165 PolarHBondContact O-OG 2.92Å; M1162-G1166 PolarHBondContact O-N 3.26Å; M1162-L1169 HydrophobicContact CE-CD2 3.66Å; M1162-L1169 HydrophobicContact SD-CD2 3.73Å; M1162-R1185 HydrophobicContact CE-CB 4.2Å; M1162-R1185 HydrophobicContact SD-CB 4.21Å; M1162-W1186 HydrophobicContact CE-CD2 3.97Å; M1162-W1186 HydrophobicContact CE-CG 4.18Å; M1162-W1186 HydrophobicContact CE-CZ2 4Å
1163L85.3Confident83Confident7 Ų737 Ų374%0.03719%0.194CC..Hα-helixtrans-62.4-41.6179-160.276.9000111.9W1134 L1137 M1138 T1159 L1160 S1165 G1166 L1679 F1680 F1683W1134-L1163 HydrophobicContact CE3-CD1 3.91Å; W1134-L1163 HydrophobicContact CZ3-CD1 3.57Å; W1134-L1163 HydrophobicContact CZ3-CG 4.43Å; L1137-L1163 HydrophobicContact CD1-CD1 4.5Å; M1138-L1163 HydrophobicContact CE-CD1 4.21Å; T1159-L1163 WeakPolarHBondContact O-CB 3.48Å; T1159-L1163 PolarHBondContact O-N 3.08Å; L1160-L1163 PolarHBondContact O-N 3.3Å; L1163-S1165 VanDerWaalsContact C-N 3.28Å; L1163-S1165 PolarHBondContact O-N 2.99Å; L1163-G1166 PolarHBondContact O-N 2.72Å; L1163-L1679 HydrophobicContact CD2-CD2 4.44Å; L1163-F1680 HydrophobicContact CD1-CE1 4.19Å; L1163-F1680 HydrophobicContact CD2-CD1 4.41Å; L1163-F1680 HydrophobicContact CD2-CE1 4.01Å; L1163-F1683 HydrophobicContact CB-CE1 4.5Å; L1163-F1683 HydrophobicContact CB-CZ 4.47Å; L1163-F1683 HydrophobicContact CD2-CD1 4.29Å; L1163-F1683 HydrophobicContact CD2-CD2 3.51Å; L1163-F1683 HydrophobicContact CD2-CE1 4.29Å; L1163-F1683 HydrophobicContact CD2-CE2 3.51Å; L1163-F1683 HydrophobicContact CD2-CG 3.92Å; L1163-F1683 HydrophobicContact CD2-CZ 3.92Å; L1163-F1683 HydrophobicContact CG-CD1 3.97Å; L1163-F1683 HydrophobicContact CG-CD2 4.11Å; L1163-F1683 HydrophobicContact CG-CE1 3.98Å; L1163-F1683 HydrophobicContact CG-CE2 4.12Å; L1163-F1683 HydrophobicContact CG-CG 4.03Å; L1163-F1683 HydrophobicContact CG-CZ 4.06Å; L1163-F1683 WeakPolarHBondContact O-CE1 3.2Å
1164W84.8Confident81.8Confident118 Ų11836 Ų3645%0.44719%0.191SC..Hα-helixtrans-59.2-39.7174.3-172.8-98.7000112.2L1160 M1162 I1623 F1683 R1686L1160-W1164 WeakPolarHBondContact O-CB 3.26Å; L1160-W1164 PolarHBondContact O-N 3.07Å; M1162-W1164 PolarHBondContact O-N 3.16Å; W1164-I1623 HydrophobicContact CZ3-CG2 4.09Å; W1164-F1683 HydrophobicContact CE3-CZ 4.26Å; W1164-R1686 VanDerWaalsContact CE3-NH1 3.27Å; W1164-R1686 PolarHBondContact O-NH2 2.88Å
1165S81.7Confident80.5Confident24 Ų2440.1 Ų40.117%0.16821%0.214CC..Hα-helixtrans-70.5-42.317679.10000112.6T1161 M1162 L1163 N1168T1161-S1165 PolarHBondContact O-N 2.98Å; M1162-S1165 PolarHBondContact O-N 3.26Å; M1162-S1165 VanDerWaalsContact O-N 3.16Å; M1162-S1165 PolarHBondContact O-OG 2.92Å; L1163-S1165 VanDerWaalsContact C-N 3.28Å; L1163-S1165 PolarHBondContact O-N 2.99Å; S1165-N1168 WeakPolarHBondContact O-CB 3.47Å; S1165-N1168 PolarHBondContact O-N 2.87Å
1166G77.1Confident78.9Confident11 Ų1144.9 Ų44.911%0.11324%0.239CC..G310 helixtrans53.2-141.917800000113.2M1162 L1163 N1168 L1169M1162-G1166 PolarHBondContact O-N 3.26Å; L1163-G1166 PolarHBondContact O-N 2.72Å; G1166-N1168 PolarHBondContact O-N 3.17Å; G1166-L1169 VanDerWaalsContact O-CB 3.29Å; G1166-L1169 WeakPolarHBondContact O-CB 3.41Å; G1166-L1169 PolarHBondContact O-N 3.23Å
1167N79.4Confident77.3Confident20 Ų2053.5 Ų53.511%0.10727%0.271CS..G310 helixtrans-55.9-24-178.5-64.910.6000114.2W1134 L1169 Y1170 V1171 Y1291 Y1687W1134-N1167 WeakPolarHBondContact CZ2-OD1 3.29Å; N1167-L1169 PolarHBondContact O-N 3.18Å; N1167-L1169 VanDerWaalsContact O-N 3.11Å; N1167-Y1170 PolarHBondContact O-N 2.91Å; N1167-V1171 PolarHBondContact O-N 3.45Å; N1167-Y1291 HydrophobicContact CB-CD1 4.18Å; N1167-Y1687 WeakPolarHBondContact ND2-CE2 3.11Å
1168N78.6Confident76Confident93 Ų9350.8 Ų50.850%0.49726%0.26SS..G310 helixtrans-62.5-18.5177.6-66.1-9.8000112.7S1165 G1166 Y1170S1165-N1168 WeakPolarHBondContact O-CB 3.47Å; S1165-N1168 PolarHBondContact O-N 2.87Å; G1166-N1168 PolarHBondContact O-N 3.17Å; N1168-Y1170 VanDerWaalsContact C-N 3.3Å
1169L78.7Confident75.4Confident20 Ų2047.1 Ų47.111%0.10524%0.244CC..G310 helixtrans-68.4-26.3174.4-172.665.1000113.3M1162 G1166 N1167 T1182M1162-L1169 HydrophobicContact CE-CD2 3.66Å; M1162-L1169 HydrophobicContact SD-CD2 3.73Å; G1166-L1169 VanDerWaalsContact O-CB 3.29Å; G1166-L1169 WeakPolarHBondContact O-CB 3.41Å; G1166-L1169 PolarHBondContact O-N 3.23Å; N1167-L1169 PolarHBondContact O-N 3.18Å; N1167-L1169 VanDerWaalsContact O-N 3.11Å; L1169-T1182 HydrophobicContact CD1-CG2 4.21Å; L1169-T1182 HydrophobicContact CD2-CG2 4.11Å; L1169-T1182 HydrophobicContact CG-CG2 3.75Å; L1169-T1182 PolarHBondContact O-OG1 3.39Å
1170Y81.7Confident74.7Confident4 Ų451.1 Ų51.12%0.01626%0.262CS..THydrogen-bonded Turntrans-99.1-17.6179.7-50.6-64.9000112.7H1133 N1167 N1168 M1172 T1182 W1186 F1279 F1284 Y1291H1133-Y1170 WeakPolarHBondContact CB-OH 3.38Å; H1133-Y1170 AromaticContact CD2-CE2 3.48Å; H1133-Y1170 VanDerWaalsContact CD2-CE2 3.48Å; H1133-Y1170 WeakPolarHBondContact CD2-CE2 3.24Å; H1133-Y1170 AromaticContact CD2-CZ 3.82Å; H1133-Y1170 PolarHBondContact CD2-OH 2.99Å; H1133-Y1170 AromaticContact CG-CE2 3.91Å; H1133-Y1170 AromaticContact CG-CZ 3.98Å; H1133-Y1170 AromaticContact NE2-CE2 3.56Å; N1167-Y1170 PolarHBondContact O-N 2.91Å; N1168-Y1170 VanDerWaalsContact C-N 3.3Å; Y1170-M1172 PolarHBondContact O-N 3.2Å; Y1170-T1182 HydrophobicContact CD1-CG2 4.25Å; Y1170-T1182 HydrophobicContact CE1-CG2 4.15Å; Y1170-W1186 WeakPolarHBondContact OH-CZ2 3.45Å; Y1170-F1279 AromaticContact CE1-CE1 3.81Å; Y1170-F1279 HydrophobicContact CE1-CE1 3.81Å; Y1170-F1279 AromaticContact CE1-CZ 3.88Å; Y1170-F1279 HydrophobicContact CE1-CZ 3.88Å; Y1170-F1284 HydrophobicContact CD1-CE1 4.48Å; Y1170-F1284 AromaticContact CD1-CZ 3.78Å; Y1170-F1284 HydrophobicContact CD1-CZ 3.78Å; Y1170-F1284 HydrophobicContact CE1-CZ 4.18Å; Y1170-F1284 HydrophobicContact CG-CZ 4.29Å; Y1170-Y1291 HydrophobicContact CD2-CD2 4.29Å; Y1170-Y1291 AromaticContact CD2-CE2 3.99Å; Y1170-Y1291 HydrophobicContact CD2-CE2 3.99Å; Y1170-Y1291 HydrophobicContact CG-CD2 4.31Å; Y1170-Y1291 HydrophobicContact CG-CE2 4.21Å
1171V74Confident74.2Confident17 Ų1753.2 Ų53.210%0.10327%0.271CS..SBendtrans-73.390.9170.6-179.20000108.4N1167 N1173 R1292 V1295 L1523N1167-V1171 PolarHBondContact O-N 3.45Å; V1171-N1173 PolarHBondContact O-N 3.41Å; V1171-R1292 HydrophobicContact CG1-CG 4.43Å; V1171-V1295 HydrophobicContact CG2-CG2 4.02Å; V1171-L1523 HydrophobicContact CG1-CD1 4.2Å; V1171-L1523 HydrophobicContact CG1-CD2 3.69Å
1172M71.3Confident74Confident15 Ų1549.8 Ų49.87%0.07425%0.25CS..  trans-53.2104.4176.5-63.5168.6109.800110.3F1102 I1104 Y1170 F1179 M1288 R1292 T1519F1102-M1172 HydrophobicContact CB-CE 4.45Å; F1102-M1172 HydrophobicContact CD1-CE 3.47Å; F1102-M1172 VanDerWaalsContact CD1-CE 3.47Å; F1102-M1172 HydrophobicContact CD1-SD 4.45Å; F1102-M1172 HydrophobicContact CE1-CE 4.01Å; F1102-M1172 HydrophobicContact CE1-SD 4.46Å; F1102-M1172 HydrophobicContact CG-CE 4.22Å; I1104-M1172 HydrophobicContact CD1-SD 3.75Å; I1104-M1172 HydrophobicContact CG1-SD 4.06Å; Y1170-M1172 PolarHBondContact O-N 3.2Å; M1172-F1179 HydrophobicContact CE-CB 3.68Å; M1172-M1288 HydrophobicContact CE-CE 4.37Å; M1172-M1288 HydrophobicContact CG-CE 3.67Å; M1172-M1288 HydrophobicContact SD-CE 3.47Å; M1172-M1288 WeakPolarHBondContact SD-CE 3.4Å; M1172-R1292 PolarHBondContact O-NH1 2.6Å; M1172-T1519 HydrophobicContact CB-CG2 3.67Å; M1172-T1519 HydrophobicContact CE-CG2 4.19Å; M1172-T1519 HydrophobicContact CG-CG2 4.38Å; M1172-T1519 HydrophobicContact SD-CG2 3.92Å
1173N66.7Low73.8Confident84 Ų8450.6 Ų50.645%0.44926%0.255SS..  trans-86.1135.5-179.9-163.11.1000110V1171 T1175 L1176 R1177V1171-N1173 PolarHBondContact O-N 3.41Å; N1173-T1175 PolarHBondContact O-N 2.94Å; N1173-T1175 VanDerWaalsContact O-N 3.07Å; N1173-L1176 PolarHBondContact O-N 3.43Å; N1173-R1177 PolarHBondContact O-N 3.06Å
1174S62.2Low73.8Confident21 Ų2155.6 Ų55.615%0.14728%0.276CS..THydrogen-bonded Turntrans-52.8-34.4-173.962.10000114K1522S1174-K1522 WeakPolarHBondContact OG-CG 3.27Å
1175T62.3Low73.9Confident101 Ų10154.6 Ų54.662%0.6227%0.272SS*.THydrogen-bonded Turntrans-74.1-22.5-177.2480000114.2N1173N1173-T1175 PolarHBondContact O-N 2.94Å; N1173-T1175 VanDerWaalsContact O-N 3.07Å
1176L57.8Low74.3Confident102 Ų10253.5 Ų53.553%0.53427%0.265SS..THydrogen-bonded Turntrans-108.3-9.1177.5-82.392.3000114N1173 S1178N1173-L1176 PolarHBondContact O-N 3.43Å; L1176-S1178 WeakPolarHBondContact O-CB 3.26Å; L1176-S1178 PolarHBondContact O-N 2.96Å
1177R55Low74.9Confident187 Ų18756.1 Ų56.171%0.70628%0.276SS*.  trans45.93.3166.3-128.5-176-161.8-167.35.7119.8N1173N1173-R1177 PolarHBondContact O-N 3.06Å
1178S60.5Low75.4Confident38 Ų3857.6 Ų57.627%0.26629%0.291SS..  trans-140.1112.8-167.5176.30000111.6L1176 E1180 H1181L1176-S1178 WeakPolarHBondContact O-CB 3.26Å; L1176-S1178 PolarHBondContact O-N 2.96Å; S1178-E1180 PolarHBondContact O-N 3.18Å; S1178-E1180 VanDerWaalsContact OG-CA 3.28Å; S1178-E1180 WeakPolarHBondContact OG-CA 3.39Å; S1178-E1180 WeakPolarHBondContact OG-CB 3.42Å; S1178-E1180 PolarHBondContact OG-N 3.2Å; S1178-E1180 PolarHBondContact OG-OE2 2.81Å; S1178-H1181 PolarHBondContact O-N 3.03Å; S1178-H1181 PolarHBondContact OG-N 2.89Å
1179F76.6Confident76Confident5 Ų553.3 Ų53.32%0.02227%0.268CS..Hα-helixtrans-64.3-19.7160.9172.9-90.8000111.5F1102 M1172 H1181 T1182 L1183 F1279 F1284 M1288F1102-F1179 HydrophobicContact CB-CB 4.17Å; F1102-F1179 HydrophobicContact CD1-CB 4.13Å; F1102-F1179 HydrophobicContact CD1-CG 4.47Å; F1102-F1179 HydrophobicContact CD2-CB 3.96Å; F1102-F1179 AromaticContact CD2-CD1 3.18Å; F1102-F1179 HydrophobicContact CD2-CD1 3.18Å; F1102-F1179 AromaticContact CD2-CE1 3.77Å; F1102-F1179 HydrophobicContact CD2-CE1 3.77Å; F1102-F1179 AromaticContact CD2-CG 3.7Å; F1102-F1179 HydrophobicContact CD2-CG 3.7Å; F1102-F1179 HydrophobicContact CE1-CB 4.5Å; F1102-F1179 HydrophobicContact CE1-CG 4.47Å; F1102-F1179 HydrophobicContact CE2-CB 4.3Å; F1102-F1179 AromaticContact CE2-CD1 3.23Å; F1102-F1179 HydrophobicContact CE2-CD1 3.23Å; F1102-F1179 HydrophobicContact CE2-CD2 4.2Å; F1102-F1179 AromaticContact CE2-CE1 3.4Å; F1102-F1179 HydrophobicContact CE2-CE1 3.4Å; F1102-F1179 VanDerWaalsContact CE2-CE1 3.4Å; F1102-F1179 HydrophobicContact CE2-CE2 4.35Å; F1102-F1179 AromaticContact CE2-CG 3.66Å; F1102-F1179 HydrophobicContact CE2-CG 3.66Å; F1102-F1179 AromaticContact CE2-CZ 3.98Å; F1102-F1179 HydrophobicContact CE2-CZ 3.98Å; F1102-F1179 HydrophobicContact CG-CB 3.84Å; F1102-F1179 AromaticContact CG-CD1 3.97Å; F1102-F1179 HydrophobicContact CG-CD1 3.97Å; F1102-F1179 HydrophobicContact CG-CG 4.1Å; F1102-F1179 HydrophobicContact CZ-CD1 4.09Å; F1102-F1179 HydrophobicContact CZ-CD2 4.31Å; F1102-F1179 HydrophobicContact CZ-CE1 4.32Å; F1102-F1179 HydrophobicContact CZ-CG 4.07Å; M1172-F1179 HydrophobicContact CE-CB 3.68Å; F1179-H1181 PolarHBondContact O-N 3.25Å; F1179-T1182 HydrophobicContact CE2-CG2 4.32Å; F1179-T1182 CarbonylContact O-C 3.41Å; F1179-T1182 WeakPolarHBondContact O-CA 3.35Å; F1179-T1182 WeakPolarHBondContact O-CB 3.31Å; F1179-T1182 PolarHBondContact O-N 2.95Å; F1179-L1183 HydrophobicContact CD1-CB 4.48Å; F1179-L1183 HydrophobicContact CE1-CB 4.3Å; F1179-L1183 HydrophobicContact CE1-CD1 4.28Å; F1179-L1183 PolarHBondContact O-N 2.89Å; F1179-F1279 HydrophobicContact CZ-CB 4.13Å; F1179-F1279 HydrophobicContact CZ-CD1 4.44Å; F1179-F1279 HydrophobicContact CZ-CG 4.27Å; F1179-F1284 AromaticContact CE2-CE1 3.9Å; F1179-F1284 HydrophobicContact CE2-CE1 3.9Å; F1179-F1284 HydrophobicContact CZ-CE1 4.25Å; F1179-M1288 HydrophobicContact CD2-CE 3.89Å; F1179-M1288 HydrophobicContact CD2-SD 4.4Å; F1179-M1288 HydrophobicContact CE2-CE 4.42Å; F1179-M1288 HydrophobicContact CE2-SD 4.4Å
1180E74Confident76.6Confident88 Ų8852.7 Ų52.741%0.41127%0.265SS..Hα-helixtrans-65.8-19.5172160.7-106.8-158.600112.2S1178 K1184S1178-E1180 PolarHBondContact O-N 3.18Å; S1178-E1180 VanDerWaalsContact OG-CA 3.28Å; S1178-E1180 WeakPolarHBondContact OG-CA 3.39Å; S1178-E1180 WeakPolarHBondContact OG-CB 3.42Å; S1178-E1180 PolarHBondContact OG-N 3.2Å; S1178-E1180 PolarHBondContact OG-OE2 2.81Å; E1180-K1184 VanDerWaalsContact CD-CE 3.46Å; E1180-K1184 HydrophobicContact CG-CD 4.37Å; E1180-K1184 WeakPolarHBondContact O-CB 3.34Å; E1180-K1184 WeakPolarHBondContact O-CD 3.32Å; E1180-K1184 WeakPolarHBondContact O-CG 3.27Å; E1180-K1184 PolarHBondContact O-N 3.35Å; E1180-K1184 WeakPolarHBondContact OE1-CE 3.42Å; E1180-K1184 IonicContact OE1-NZ 4Å; E1180-K1184 PolarHBondContact OE1-NZ 2.97Å; E1180-K1184 IonicContact OE2-NZ 3.94Å; E1180-K1184 PolarHBondContact OE2-NZ 3.48Å
1181H77.7Confident77.1Confident70 Ų7053.7 Ų53.732%0.32428%0.276SS..Hα-helixtrans-69.4-39.2163.8179-117.4000112.8S1178 F1179 K1184 R1185S1178-H1181 PolarHBondContact O-N 3.03Å; S1178-H1181 PolarHBondContact OG-N 2.89Å; F1179-H1181 PolarHBondContact O-N 3.25Å; H1181-K1184 PolarHBondContact O-N 3.26Å; H1181-R1185 PolarHBondContact CE1-NE 2.92Å; H1181-R1185 PolarHBondContact CE1-NH2 3.36Å; H1181-R1185 PolarHBondContact NE2-NE 2.96Å; H1181-R1185 WeakPolarHBondContact O-CG 3.5Å; H1181-R1185 PolarHBondContact O-N 2.99Å; H1181-R1185 VanDerWaalsContact O-N 3.07Å
1182T81.3Confident78Confident10 Ų1054.8 Ų54.86%0.06128%0.279CS..Hα-helixtrans-66.4-44.6172.8-64.80000110.7L1169 Y1170 F1179 K1184 R1185 W1186L1169-T1182 HydrophobicContact CD1-CG2 4.21Å; L1169-T1182 HydrophobicContact CD2-CG2 4.11Å; L1169-T1182 HydrophobicContact CG-CG2 3.75Å; L1169-T1182 PolarHBondContact O-OG1 3.39Å; Y1170-T1182 HydrophobicContact CD1-CG2 4.25Å; Y1170-T1182 HydrophobicContact CE1-CG2 4.15Å; F1179-T1182 HydrophobicContact CE2-CG2 4.32Å; F1179-T1182 CarbonylContact O-C 3.41Å; F1179-T1182 WeakPolarHBondContact O-CA 3.35Å; F1179-T1182 WeakPolarHBondContact O-CB 3.31Å; F1179-T1182 PolarHBondContact O-N 2.95Å; T1182-K1184 PolarHBondContact O-N 3.19Å; T1182-R1185 WeakPolarHBondContact O-CB 3.49Å; T1182-R1185 PolarHBondContact O-N 3.26Å; T1182-R1185 VanDerWaalsContact O-N 3.17Å; T1182-W1186 VanDerWaalsContact O-CD1 3.28Å; T1182-W1186 PolarHBondContact O-N 3.46Å; T1182-W1186 VanDerWaalsContact O-N 3.08Å
1183L82.7Confident79.1Confident27 Ų2754.1 Ų54.114%0.14128%0.276CS..Hα-helixtrans-63.6-38.6175.1-161.971.6000111.7F1179 R1185 W1186 N1187F1179-L1183 HydrophobicContact CD1-CB 4.48Å; F1179-L1183 HydrophobicContact CE1-CB 4.3Å; F1179-L1183 HydrophobicContact CE1-CD1 4.28Å; F1179-L1183 PolarHBondContact O-N 2.89Å; L1183-R1185 VanDerWaalsContact C-N 3.33Å; L1183-R1185 PolarHBondContact O-N 3.19Å; L1183-W1186 PolarHBondContact O-N 2.77Å; L1183-N1187 VanDerWaalsContact O-CB 3.29Å; L1183-N1187 WeakPolarHBondContact O-CB 3.4Å; L1183-N1187 PolarHBondContact O-N 3.09Å; L1183-N1187 PolarHBondContact O-OD1 2.88Å
1184K84.8Confident80.3Confident112 Ų11250.4 Ų50.449%0.48726%0.256SS..Hα-helixtrans-60.3-38.1172.2-81.9166.8-177.8165.60112.3E1180 H1181 T1182 A1188E1180-K1184 VanDerWaalsContact CD-CE 3.46Å; E1180-K1184 HydrophobicContact CG-CD 4.37Å; E1180-K1184 WeakPolarHBondContact O-CB 3.34Å; E1180-K1184 WeakPolarHBondContact O-CD 3.32Å; E1180-K1184 WeakPolarHBondContact O-CG 3.27Å; E1180-K1184 PolarHBondContact O-N 3.35Å; E1180-K1184 WeakPolarHBondContact OE1-CE 3.42Å; E1180-K1184 IonicContact OE1-NZ 4Å; E1180-K1184 PolarHBondContact OE1-NZ 2.97Å; E1180-K1184 IonicContact OE2-NZ 3.94Å; E1180-K1184 PolarHBondContact OE2-NZ 3.48Å; H1181-K1184 PolarHBondContact O-N 3.26Å; T1182-K1184 PolarHBondContact O-N 3.19Å; K1184-A1188 VanDerWaalsContact O-CB 3.23Å; K1184-A1188 WeakPolarHBondContact O-CB 3.47Å; K1184-A1188 PolarHBondContact O-N 3.48Å
1185R87.3Confident81.8Confident98 Ų9854.3 Ų54.337%0.3727%0.27SS..Hα-helixtrans-66.9-42.3174.3-72.4174.9174.7-151-6.5112.5M1162 H1181 T1182 L1183 A1188 L1189M1162-R1185 HydrophobicContact CE-CB 4.2Å; M1162-R1185 HydrophobicContact SD-CB 4.21Å; H1181-R1185 PolarHBondContact CE1-NE 2.92Å; H1181-R1185 PolarHBondContact CE1-NH2 3.36Å; H1181-R1185 PolarHBondContact NE2-NE 2.96Å; H1181-R1185 WeakPolarHBondContact O-CG 3.5Å; H1181-R1185 PolarHBondContact O-N 2.99Å; H1181-R1185 VanDerWaalsContact O-N 3.07Å; T1182-R1185 WeakPolarHBondContact O-CB 3.49Å; T1182-R1185 PolarHBondContact O-N 3.26Å; T1182-R1185 VanDerWaalsContact O-N 3.17Å; L1183-R1185 VanDerWaalsContact C-N 3.33Å; L1183-R1185 PolarHBondContact O-N 3.19Å; R1185-A1188 PolarHBondContact O-N 3.48Å; R1185-L1189 PolarHBondContact O-N 3.28Å
1186W90.2Very high83.2Confident1 Ų149.5 Ų49.50%0.00424%0.241CC..Hα-helixtrans-68.8-37174.8-77.3100.9000112.7T1136 L1137 M1162 Y1170 T1182 L1183 L1189 L1190 L1272 Q1275 F1279T1136-W1186 VanDerWaalsContact OG1-CH2 3.25Å; T1136-W1186 WeakPolarHBondContact OG1-CH2 3.5Å; L1137-W1186 HydrophobicContact CD2-CH2 3.8Å; L1137-W1186 HydrophobicContact CD2-CZ2 4.3Å; L1137-W1186 HydrophobicContact CD2-CZ3 4.5Å; L1137-W1186 HydrophobicContact CG-CH2 4Å; L1137-W1186 HydrophobicContact CG-CZ2 4.48Å; M1162-W1186 HydrophobicContact CE-CD2 3.97Å; M1162-W1186 HydrophobicContact CE-CG 4.18Å; M1162-W1186 HydrophobicContact CE-CZ2 4Å; Y1170-W1186 WeakPolarHBondContact OH-CZ2 3.45Å; T1182-W1186 VanDerWaalsContact O-CD1 3.28Å; T1182-W1186 PolarHBondContact O-N 3.46Å; T1182-W1186 VanDerWaalsContact O-N 3.08Å; L1183-W1186 PolarHBondContact O-N 2.77Å; W1186-L1189 HydrophobicContact CE3-CD2 4.19Å; W1186-L1189 HydrophobicContact CZ3-CD2 4.15Å; W1186-L1189 PolarHBondContact O-N 3.23Å; W1186-L1190 PolarHBondContact O-N 3.19Å; W1186-L1272 HydrophobicContact CE3-CD2 3.63Å; W1186-L1272 HydrophobicContact CZ3-CD2 3.63Å; W1186-Q1275 HydrophobicContact CZ3-CG 4.43Å; W1186-F1279 HydrophobicContact CB-CE2 4.46Å; W1186-F1279 AromaticContact CD1-CE2 3.6Å; W1186-F1279 AromaticContact CD2-CE2 3.78Å; W1186-F1279 HydrophobicContact CD2-CE2 3.78Å; W1186-F1279 HydrophobicContact CD2-CZ 4.27Å; W1186-F1279 AromaticContact CE2-CE2 3.75Å; W1186-F1279 AromaticContact CE2-CZ 3.77Å; W1186-F1279 HydrophobicContact CE3-CE2 4.49Å; W1186-F1279 AromaticContact CG-CE2 3.72Å; W1186-F1279 HydrophobicContact CG-CE2 3.72Å; W1186-F1279 HydrophobicContact CG-CZ 4.46Å; W1186-F1279 HydrophobicContact CZ2-CE2 4.46Å; W1186-F1279 HydrophobicContact CZ2-CZ 4.15Å; W1186-F1279 AromaticContact NE1-CE2 3.63Å; W1186-F1279 AromaticContact NE1-CZ 3.61Å
1187N89.4Confident84.8Confident65 Ų6544.8 Ų44.835%0.34822%0.216SC..Hα-helixtrans-71.7-30174.2-70.2-2.3000112.2L1183 G1191L1183-N1187 VanDerWaalsContact O-CB 3.29Å; L1183-N1187 WeakPolarHBondContact O-CB 3.4Å; L1183-N1187 PolarHBondContact O-N 3.09Å; L1183-N1187 PolarHBondContact O-OD1 2.88Å; N1187-G1191 PolarHBondContact O-N 3.43Å
1188A90.2Very high86.5Confident52 Ų5237.6 Ų37.643%0.4319%0.193SC..Hα-helixtrans-68-38169.900000111.3K1184 R1185 G1191 Y1192K1184-A1188 VanDerWaalsContact O-CB 3.23Å; K1184-A1188 WeakPolarHBondContact O-CB 3.47Å; K1184-A1188 PolarHBondContact O-N 3.48Å; R1185-A1188 PolarHBondContact O-N 3.48Å; A1188-G1191 PolarHBondContact O-N 3.19Å; A1188-Y1192 WeakPolarHBondContact O-CB 3.45Å; A1188-Y1192 PolarHBondContact O-N 3.39Å
1189L91.5Very high88Confident3 Ų338.9 Ų38.92%0.01620%0.195CC..Hα-helixtrans-66.8-43.5172.9-176.356.8000111.9T1140 F1158 R1185 W1186 Y1192 T1193 L1272T1140-L1189 HydrophobicContact CG2-CD2 4.25Å; F1158-L1189 HydrophobicContact CB-CD1 4.13Å; F1158-L1189 HydrophobicContact CG-CD1 4.46Å; R1185-L1189 PolarHBondContact O-N 3.28Å; W1186-L1189 HydrophobicContact CE3-CD2 4.19Å; W1186-L1189 HydrophobicContact CZ3-CD2 4.15Å; W1186-L1189 PolarHBondContact O-N 3.23Å; L1189-Y1192 WeakPolarHBondContact O-CB 3.32Å; L1189-Y1192 PolarHBondContact O-N 3.42Å; L1189-T1193 VanDerWaalsContact O-CG2 3.3Å; L1189-T1193 WeakPolarHBondContact O-CG2 3.47Å; L1189-T1193 PolarHBondContact O-N 3.32Å; L1189-L1272 HydrophobicContact CD2-CD2 3.95Å; L1189-L1272 HydrophobicContact CG-CD1 4.28Å; L1189-L1272 HydrophobicContact CG-CD2 4.14Å
1190L92.1Very high88.6Confident7 Ų739.8 Ų39.84%0.03720%0.2CC..Hα-helixtrans-61.6-42.3171.5177.167.4000112W1186 Y1192 T1193 L1194 L1269 L1272 I1276W1186-L1190 PolarHBondContact O-N 3.19Å; L1190-Y1192 VanDerWaalsContact C-N 3.3Å; L1190-Y1192 PolarHBondContact O-N 3.46Å; L1190-T1193 PolarHBondContact O-N 3.25Å; L1190-T1193 PolarHBondContact O-OG1 3.41Å; L1190-L1194 HydrophobicContact CD1-CD1 4.23Å; L1190-L1194 HydrophobicContact CD1-CG 4.35Å; L1190-L1194 HydrophobicContact CG-CD1 3.99Å; L1190-L1194 WeakPolarHBondContact O-CB 3.25Å; L1190-L1194 VanDerWaalsContact O-CG 3.3Å; L1190-L1194 WeakPolarHBondContact O-CG 3.44Å; L1190-L1194 PolarHBondContact O-N 3.42Å; L1190-L1269 HydrophobicContact CD1-CD1 3.5Å; L1190-L1272 HydrophobicContact CD1-CB 4.28Å; L1190-I1276 HydrophobicContact CB-CD1 4.3Å; L1190-I1276 HydrophobicContact CD2-CD1 3.7Å; L1190-I1276 HydrophobicContact CG-CD1 4.5Å
1191G91.9Very high89.4Confident25 Ų2535.8 Ų35.826%0.25818%0.181SC..Hα-helixtrans-61-40.2174.700000111.7N1187 A1188 L1194 F1195N1187-G1191 PolarHBondContact O-N 3.43Å; A1188-G1191 PolarHBondContact O-N 3.19Å; G1191-L1194 PolarHBondContact O-N 3.28Å; G1191-F1195 VanDerWaalsContact O-CB 3.24Å; G1191-F1195 WeakPolarHBondContact O-CB 3.37Å; G1191-F1195 PolarHBondContact O-N 3.02Å
1192Y93.1Very high89.9Confident40 Ų4034.7 Ų34.716%0.15718%0.181CC..Hα-helixtrans-62.9-45.5173.1-173.8-100.7000111.8F1151 G1154 Y1155 F1158 A1188 L1189 L1190 L1194 F1195 T1196F1151-Y1192 WeakPolarHBondContact CA-OH 3.37Å; F1151-Y1192 PolarHBondContact O-OH 3.44Å; G1154-Y1192 WeakPolarHBondContact CA-OH 3.43Å; Y1155-Y1192 HydrophobicContact CD1-CD1 4.24Å; Y1155-Y1192 HydrophobicContact CD1-CE1 4.14Å; Y1155-Y1192 AromaticContact CD2-CE1 4Å; Y1155-Y1192 HydrophobicContact CD2-CE1 4Å; Y1155-Y1192 HydrophobicContact CE1-CD1 4.11Å; Y1155-Y1192 HydrophobicContact CE1-CE1 4.23Å; Y1155-Y1192 HydrophobicContact CE2-CE1 4.09Å; Y1155-Y1192 HydrophobicContact CG-CE1 4.03Å; F1158-Y1192 HydrophobicContact CD2-CD1 4.33Å; F1158-Y1192 HydrophobicContact CD2-CG 4.28Å; F1158-Y1192 HydrophobicContact CE2-CD1 4.43Å; F1158-Y1192 AromaticContact CE2-CD2 3.87Å; F1158-Y1192 HydrophobicContact CE2-CD2 3.87Å; F1158-Y1192 HydrophobicContact CE2-CE2 4.3Å; F1158-Y1192 AromaticContact CE2-CG 3.94Å; F1158-Y1192 HydrophobicContact CE2-CG 3.94Å; A1188-Y1192 WeakPolarHBondContact O-CB 3.45Å; A1188-Y1192 PolarHBondContact O-N 3.39Å; L1189-Y1192 WeakPolarHBondContact O-CB 3.32Å; L1189-Y1192 PolarHBondContact O-N 3.42Å; L1190-Y1192 VanDerWaalsContact C-N 3.3Å; L1190-Y1192 PolarHBondContact O-N 3.46Å; Y1192-L1194 PolarHBondContact O-N 3.39Å; Y1192-F1195 WeakPolarHBondContact O-CB 3.27Å; Y1192-F1195 PolarHBondContact O-N 3.15Å; Y1192-T1196 HydrophobicContact CD1-CG2 4.12Å; Y1192-T1196 HydrophobicContact CE1-CG2 3.68Å; Y1192-T1196 HydrophobicContact CE2-CG2 4.31Å; Y1192-T1196 WeakPolarHBondContact O-CG2 3.1Å; Y1192-T1196 PolarHBondContact O-N 2.91Å; Y1192-T1196 PolarHBondContact O-OG1 3Å
1193T93.3Very high90.2Very high0 Ų036.1 Ų36.10%019%0.188CC..Hα-helixtrans-67.1-35.6178.865.40000113.1Y1155 L1189 L1190 T1196 I1197 L1272Y1155-T1193 HydrophobicContact CE1-CG2 3.55Å; Y1155-T1193 WeakPolarHBondContact OH-CG2 3.2Å; L1189-T1193 VanDerWaalsContact O-CG2 3.3Å; L1189-T1193 WeakPolarHBondContact O-CG2 3.47Å; L1189-T1193 PolarHBondContact O-N 3.32Å; L1190-T1193 PolarHBondContact O-N 3.25Å; L1190-T1193 PolarHBondContact O-OG1 3.41Å; T1193-T1196 PolarHBondContact O-OG1 3.03Å; T1193-T1196 VanDerWaalsContact O-OG1 3.04Å; T1193-I1197 WeakPolarHBondContact O-CB 3.35Å; T1193-I1197 WeakPolarHBondContact O-CD1 3.4Å; T1193-I1197 VanDerWaalsContact O-CG1 3.26Å; T1193-I1197 WeakPolarHBondContact O-CG1 3.39Å; T1193-I1197 PolarHBondContact O-N 3.21Å; T1193-I1197 VanDerWaalsContact O-N 3.12Å; T1193-L1272 HydrophobicContact CG2-CD1 3.46Å; T1193-L1272 VanDerWaalsContact CG2-CD1 3.46Å
1194L93.4Very high90.5Very high6 Ų635.1 Ų35.13%0.03118%0.183CC..Hα-helixtrans-69.2-36.5174-70.7169.3000111.3L990 V991 A994 L995 L1190 G1191 Y1192 T1198 L1269L990-L1194 HydrophobicContact CD2-CD2 4.3Å; L990-L1194 HydrophobicContact CG-CD2 4.11Å; V991-L1194 HydrophobicContact CG2-CB 4.22Å; V991-L1194 HydrophobicContact CG2-CD2 4.46Å; A994-L1194 HydrophobicContact CB-CD1 3.78Å; A994-L1194 HydrophobicContact CB-CD2 4.42Å; L995-L1194 HydrophobicContact CD2-CD1 3.98Å; L995-L1194 HydrophobicContact CG-CD1 4.17Å; L1190-L1194 HydrophobicContact CD1-CD1 4.23Å; L1190-L1194 HydrophobicContact CD1-CG 4.35Å; L1190-L1194 HydrophobicContact CG-CD1 3.99Å; L1190-L1194 WeakPolarHBondContact O-CB 3.25Å; L1190-L1194 VanDerWaalsContact O-CG 3.3Å; L1190-L1194 WeakPolarHBondContact O-CG 3.44Å; L1190-L1194 PolarHBondContact O-N 3.42Å; G1191-L1194 PolarHBondContact O-N 3.28Å; Y1192-L1194 PolarHBondContact O-N 3.39Å; L1194-T1198 WeakPolarHBondContact O-CB 3.14Å; L1194-T1198 PolarHBondContact O-N 2.97Å; L1194-T1198 PolarHBondContact O-OG1 3.12Å; L1194-L1269 HydrophobicContact CD2-CD1 3.92Å; L1194-L1269 HydrophobicContact CD2-CD2 4.49Å; L1194-L1269 HydrophobicContact CG-CD1 4.35Å
1195F92.2Very high90.3Very high104 Ų10432.5 Ų32.546%0.45617%0.173SC..Hα-helixtrans-66.7-45173.9176.5-101.3000112.1F1151 G1191 Y1192 T1198 M1199F1151-F1195 HydrophobicContact CE1-CE1 4.49Å; G1191-F1195 VanDerWaalsContact O-CB 3.24Å; G1191-F1195 WeakPolarHBondContact O-CB 3.37Å; G1191-F1195 PolarHBondContact O-N 3.02Å; Y1192-F1195 WeakPolarHBondContact O-CB 3.27Å; Y1192-F1195 PolarHBondContact O-N 3.15Å; F1195-T1198 PolarHBondContact O-N 2.94Å; F1195-M1199 HydrophobicContact CD1-CG 4.18Å; F1195-M1199 HydrophobicContact CD2-CG 3.89Å; F1195-M1199 HydrophobicContact CE1-CG 3.83Å; F1195-M1199 HydrophobicContact CE2-CE 4.1Å; F1195-M1199 HydrophobicContact CE2-CG 3.51Å; F1195-M1199 HydrophobicContact CE2-SD 3.84Å; F1195-M1199 HydrophobicContact CG-CG 4.22Å; F1195-M1199 HydrophobicContact CZ-CG 3.48Å; F1195-M1199 VanDerWaalsContact CZ-CG 3.48Å; F1195-M1199 HydrophobicContact CZ-SD 3.99Å; F1195-M1199 WeakPolarHBondContact O-CB 3.19Å; F1195-M1199 VanDerWaalsContact O-CG 3.26Å; F1195-M1199 WeakPolarHBondContact O-CG 3.41Å; F1195-M1199 PolarHBondContact O-N 3.22Å
1196T91.3Very high90.1Very high0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-63.5-42.8177.557.30000111.9F1151 Y1155 Y1192 T1193 K1200 D1265F1151-T1196 HydrophobicContact CB-CG2 4.04Å; F1151-T1196 HydrophobicContact CD1-CG2 3.91Å; F1151-T1196 HydrophobicContact CG-CG2 4.26Å; Y1155-T1196 HydrophobicContact CE2-CG2 4.31Å; Y1155-T1196 PolarHBondContact OH-OG1 3.49Å; Y1192-T1196 HydrophobicContact CD1-CG2 4.12Å; Y1192-T1196 HydrophobicContact CE1-CG2 3.68Å; Y1192-T1196 HydrophobicContact CE2-CG2 4.31Å; Y1192-T1196 WeakPolarHBondContact O-CG2 3.1Å; Y1192-T1196 PolarHBondContact O-N 2.91Å; Y1192-T1196 PolarHBondContact O-OG1 3Å; T1193-T1196 PolarHBondContact O-OG1 3.03Å; T1193-T1196 VanDerWaalsContact O-OG1 3.04Å; T1196-K1200 VanDerWaalsContact O-CB 3.32Å; T1196-K1200 WeakPolarHBondContact O-CB 3.36Å; T1196-K1200 WeakPolarHBondContact O-CG 3.43Å; T1196-K1200 PolarHBondContact O-N 3.42Å; T1196-D1265 PolarHBondContact OG1-OD1 2.97Å
1197I92.1Very high89.7Confident3 Ų333.1 Ų33.12%0.01518%0.179CC..Hα-helixtrans-58.7-52.4174-70.7167.8000110.4I975 T1193 M1199 K1200 V1201 I1262 D1265 V1266 L1269I975-I1197 HydrophobicContact CG2-CG2 4.36Å; T1193-I1197 WeakPolarHBondContact O-CB 3.35Å; T1193-I1197 WeakPolarHBondContact O-CD1 3.4Å; T1193-I1197 VanDerWaalsContact O-CG1 3.26Å; T1193-I1197 WeakPolarHBondContact O-CG1 3.39Å; T1193-I1197 PolarHBondContact O-N 3.21Å; T1193-I1197 VanDerWaalsContact O-N 3.12Å; I1197-M1199 PolarHBondContact O-N 3.46Å; I1197-K1200 PolarHBondContact O-N 3.34Å; I1197-V1201 WeakPolarHBondContact O-CG2 3.41Å; I1197-V1201 PolarHBondContact O-N 3.05Å; I1197-I1262 HydrophobicContact CG2-CD1 4.14Å; I1197-D1265 HydrophobicContact CD1-CB 4.06Å; I1197-D1265 HydrophobicContact CG1-CB 3.6Å; I1197-V1266 HydrophobicContact CD1-CG2 4.34Å; I1197-L1269 HydrophobicContact CD1-CB 4.42Å; I1197-L1269 HydrophobicContact CD1-CD2 4.09Å
1198T91.9Very high89.5Confident36 Ų3630.1 Ų30.122%0.22116%0.163CC..Hα-helixtrans-62.2-45.3-177.7-530000111.3C987 L1194 F1195 V1201 C1202C987-T1198 HydrophobicContact CB-CG2 4.44Å; L1194-T1198 WeakPolarHBondContact O-CB 3.14Å; L1194-T1198 PolarHBondContact O-N 2.97Å; L1194-T1198 PolarHBondContact O-OG1 3.12Å; F1195-T1198 PolarHBondContact O-N 2.94Å; T1198-V1201 PolarHBondContact O-N 3.37Å; T1198-C1202 WeakPolarHBondContact O-CB 3.14Å; T1198-C1202 PolarHBondContact O-N 2.87Å; T1198-C1202 PolarHBondContact O-SG 3.25Å
1199M90.2Very high89.1Confident64 Ų6427.8 Ų27.832%0.31514%0.143SC..Hα-helixtrans-65.5-42.5178.4-70.8-64.3104.500112.4F1151 F1195 I1197 V1201 C1202 L1203F1151-M1199 HydrophobicContact CE1-CB 4.37Å; F1151-M1199 HydrophobicContact CZ-CB 4.18Å; F1195-M1199 HydrophobicContact CD1-CG 4.18Å; F1195-M1199 HydrophobicContact CD2-CG 3.89Å; F1195-M1199 HydrophobicContact CE1-CG 3.83Å; F1195-M1199 HydrophobicContact CE2-CE 4.1Å; F1195-M1199 HydrophobicContact CE2-CG 3.51Å; F1195-M1199 HydrophobicContact CE2-SD 3.84Å; F1195-M1199 HydrophobicContact CG-CG 4.22Å; F1195-M1199 HydrophobicContact CZ-CG 3.48Å; F1195-M1199 VanDerWaalsContact CZ-CG 3.48Å; F1195-M1199 HydrophobicContact CZ-SD 3.99Å; F1195-M1199 WeakPolarHBondContact O-CB 3.19Å; F1195-M1199 VanDerWaalsContact O-CG 3.26Å; F1195-M1199 WeakPolarHBondContact O-CG 3.41Å; F1195-M1199 PolarHBondContact O-N 3.22Å; I1197-M1199 PolarHBondContact O-N 3.46Å; M1199-V1201 PolarHBondContact O-N 2.87Å; M1199-C1202 PolarHBondContact O-N 3.27Å; M1199-L1203 VanDerWaalsContact O-CB 3.31Å; M1199-L1203 WeakPolarHBondContact O-CB 3.32Å; M1199-L1203 WeakPolarHBondContact O-CG 3.33Å; M1199-L1203 PolarHBondContact O-N 2.87Å
1200K90.2Very high88.8Confident25 Ų2530.7 Ų30.711%0.10916%0.156CC..Hα-helixtrans-61.3-42.8176.5-81-178.7170-176.90111.9T1196 I1197 L1203 Q1204 E1259 N1261 I1262 D1265T1196-K1200 VanDerWaalsContact O-CB 3.32Å; T1196-K1200 WeakPolarHBondContact O-CB 3.36Å; T1196-K1200 WeakPolarHBondContact O-CG 3.43Å; T1196-K1200 PolarHBondContact O-N 3.42Å; I1197-K1200 PolarHBondContact O-N 3.34Å; K1200-L1203 PolarHBondContact O-N 3.44Å; K1200-Q1204 PolarHBondContact O-N 3.49Å; K1200-E1259 WeakPolarHBondContact CE-O 3.37Å; K1200-E1259 PolarHBondContact NZ-O 3.45Å; K1200-N1261 PolarHBondContact NZ-O 2.87Å; K1200-I1262 HydrophobicContact CB-CG2 3.65Å; K1200-I1262 HydrophobicContact CD-CG2 3.68Å; K1200-I1262 HydrophobicContact CG-CG2 4.34Å; K1200-D1265 IonicContact NZ-OD2 2.74Å; K1200-D1265 PolarHBondContact NZ-OD2 2.9Å
1201V90.4Very high88.2Confident3 Ų331.3 Ų31.32%0.01816%0.159CC..Hα-helixtrans-65-45175.91750000111I975 M979 A983 A984 I1197 T1198 M1199 L1203 Q1204 I1262I975-V1201 HydrophobicContact CG2-CG2 3.88Å; M979-V1201 HydrophobicContact SD-CG2 4.05Å; A983-V1201 HydrophobicContact CB-CG1 4.39Å; A984-V1201 HydrophobicContact CB-CG1 4.1Å; I1197-V1201 WeakPolarHBondContact O-CG2 3.41Å; I1197-V1201 PolarHBondContact O-N 3.05Å; T1198-V1201 PolarHBondContact O-N 3.37Å; M1199-V1201 PolarHBondContact O-N 2.87Å; V1201-L1203 VanDerWaalsContact C-N 3.32Å; V1201-L1203 PolarHBondContact O-N 3.29Å; V1201-Q1204 WeakPolarHBondContact O-CB 3.41Å; V1201-Q1204 PolarHBondContact O-N 3.43Å; V1201-I1262 HydrophobicContact CG2-CD1 4.36Å
1202C89.1Confident87.6Confident48 Ų4833.5 Ų33.532%0.32417%0.171SC..Hα-helixtrans-63-35.7174.8-680000113.1T1198 M1199 Q1204 I1205T1198-C1202 WeakPolarHBondContact O-CB 3.14Å; T1198-C1202 PolarHBondContact O-N 2.87Å; T1198-C1202 PolarHBondContact O-SG 3.25Å; M1199-C1202 PolarHBondContact O-N 3.27Å; C1202-Q1204 VanDerWaalsContact C-N 3.26Å; C1202-Q1204 PolarHBondContact O-N 3.26Å; C1202-I1205 PolarHBondContact O-N 3.29Å
1203L88.1Confident87.1Confident40 Ų4039.1 Ų39.121%0.20919%0.192CC..Hα-helixtrans-69.5-18.1177.4-75.8169.5000113.3F1151 M1199 K1200 V1201 I1205 F1206 G1207 I1233F1151-L1203 HydrophobicContact CE2-CD1 4.07Å; F1151-L1203 HydrophobicContact CZ-CD1 4.11Å; M1199-L1203 VanDerWaalsContact O-CB 3.31Å; M1199-L1203 WeakPolarHBondContact O-CB 3.32Å; M1199-L1203 WeakPolarHBondContact O-CG 3.33Å; M1199-L1203 PolarHBondContact O-N 2.87Å; K1200-L1203 PolarHBondContact O-N 3.44Å; V1201-L1203 VanDerWaalsContact C-N 3.32Å; V1201-L1203 PolarHBondContact O-N 3.29Å; L1203-I1205 VanDerWaalsContact C-N 3.32Å; L1203-I1205 PolarHBondContact O-N 2.98Å; L1203-F1206 PolarHBondContact O-N 2.79Å; L1203-G1207 PolarHBondContact O-N 3.5Å; L1203-I1233 HydrophobicContact CD2-CD1 4.37Å; L1203-I1233 HydrophobicContact CD2-CG1 4.42Å
1204Q87.9Confident86.5Confident6 Ų639.6 Ų39.63%0.02819%0.194CC..Hα-helixtrans-63.1-38.3172.2-71.2-55.7-5400112.2K1200 V1201 C1202 F1206 G1207 C1208 T1234K1200-Q1204 PolarHBondContact O-N 3.49Å; V1201-Q1204 WeakPolarHBondContact O-CB 3.41Å; V1201-Q1204 PolarHBondContact O-N 3.43Å; C1202-Q1204 VanDerWaalsContact C-N 3.26Å; C1202-Q1204 PolarHBondContact O-N 3.26Å; Q1204-F1206 VanDerWaalsContact C-N 3.29Å; Q1204-F1206 PolarHBondContact O-N 3.16Å; Q1204-G1207 PolarHBondContact O-N 3.05Å; Q1204-C1208 WeakPolarHBondContact O-CB 3.46Å; Q1204-C1208 PolarHBondContact O-N 3.46Å; Q1204-C1208 PolarHBondContact O-SG 3.05Å; Q1204-C1208 VanDerWaalsContact O-SG 3.35Å; Q1204-T1234 PolarHBondContact NE2-O 3.28Å; Q1204-T1234 VanDerWaalsContact NE2-O 3.16Å
1205I81.7Confident85.9Confident56 Ų5643.4 Ų43.429%0.28721%0.214SC..Hα-helixtrans-60.8-41.9175.5-58.9174.2000110.1C1202 L1203 V1209 F1210C1202-I1205 PolarHBondContact O-N 3.29Å; L1203-I1205 VanDerWaalsContact C-N 3.32Å; L1203-I1205 PolarHBondContact O-N 2.98Å; I1205-V1209 WeakPolarHBondContact O-CB 3.13Å; I1205-V1209 PolarHBondContact O-N 3.45Å; I1205-F1210 HydrophobicContact CG2-CE2 4.44Å
1206F83.1Confident85.2Confident112 Ų11242.1 Ų42.149%0.49121%0.21SC..Hα-helixtrans-69.1-41.3175-73.3-81.9000113L1203 Q1204 F1210 L1211L1203-F1206 PolarHBondContact O-N 2.79Å; Q1204-F1206 VanDerWaalsContact C-N 3.29Å; Q1204-F1206 PolarHBondContact O-N 3.16Å; F1206-F1210 HydrophobicContact CD1-CB 4.36Å; F1206-F1210 HydrophobicContact CD1-CD2 4.24Å; F1206-F1210 HydrophobicContact CD1-CG 4.5Å; F1206-F1210 CarbonylContact O-C 3.59Å; F1206-F1210 WeakPolarHBondContact O-CA 3.34Å; F1206-F1210 WeakPolarHBondContact O-CB 3.39Å; F1206-F1210 PolarHBondContact O-N 3.17Å; F1206-L1211 PolarHBondContact O-N 3.09Å
1207G80.7Confident84.3Confident1 Ų147.8 Ų47.81%0.0125%0.249CC..Hα-helixtrans-73.3-32.5-176.800000115.1L1203 Q1204L1203-G1207 PolarHBondContact O-N 3.5Å; Q1204-G1207 PolarHBondContact O-N 3.05Å
1208C85.4Confident83.7Confident2 Ų250.2 Ų50.21%0.01428%0.275CS..Hα-helixtrans-91.5-23.4-178.5-59.90000114.2N1050 L1054 Q1204 C1235N1050-C1208 PolarHBondContact ND2-O 3Å; L1054-C1208 HydrophobicContact CD1-CB 3.74Å; Q1204-C1208 WeakPolarHBondContact O-CB 3.46Å; Q1204-C1208 PolarHBondContact O-N 3.46Å; Q1204-C1208 PolarHBondContact O-SG 3.05Å; Q1204-C1208 VanDerWaalsContact O-SG 3.35Å; C1208-C1235 HydrophobicContact CB-CB 3.88Å; C1208-C1235 WeakPolarHBondContact CB-SG 3.19Å; C1208-C1235 WeakPolarHBondContact SG-CA 3.37Å; C1208-C1235 WeakPolarHBondContact SG-CB 3.38Å; C1208-C1235 CovalentContact SG-SG 2.04Å; C1208-C1235 PolarHBondContact SG-SG 3.3Å
1209V82.7Confident83.1Confident2 Ų251.2 Ų51.21%0.01229%0.293CS..Hα-helixtrans-115.4-41.3-175-175.10000112.4N1050 L1051 L1054 I1205N1050-V1209 HydrophobicContact CB-CG2 4.23Å; L1051-V1209 HydrophobicContact CB-CG1 4.25Å; L1051-V1209 HydrophobicContact CB-CG2 3.98Å; L1051-V1209 HydrophobicContact CD1-CG2 4.37Å; L1054-V1209 HydrophobicContact CD1-CG2 4.18Å; I1205-V1209 WeakPolarHBondContact O-CB 3.13Å; I1205-V1209 PolarHBondContact O-N 3.45Å
1210F83.5Confident82.7Confident64 Ų6456.3 Ų56.328%0.28131%0.308SS..SBendtrans-10417.6-170.6-62.7-80.5000114.1Y1043 I1205 F1206 S1212 W1213Y1043-F1210 HydrophobicContact CE1-CD1 4.46Å; Y1043-F1210 AromaticContact CE1-CE1 3.81Å; Y1043-F1210 HydrophobicContact CE1-CE1 3.81Å; Y1043-F1210 AromaticContact CZ-CE1 3.93Å; I1205-F1210 HydrophobicContact CG2-CE2 4.44Å; F1206-F1210 HydrophobicContact CD1-CB 4.36Å; F1206-F1210 HydrophobicContact CD1-CD2 4.24Å; F1206-F1210 HydrophobicContact CD1-CG 4.5Å; F1206-F1210 CarbonylContact O-C 3.59Å; F1206-F1210 WeakPolarHBondContact O-CA 3.34Å; F1206-F1210 WeakPolarHBondContact O-CB 3.39Å; F1206-F1210 PolarHBondContact O-N 3.17Å; F1210-S1212 PolarHBondContact O-N 3.06Å; F1210-W1213 WeakPolarHBondContact O-CB 3.37Å; F1210-W1213 PolarHBondContact O-N 3.44Å; F1210-W1213 VanDerWaalsContact O-N 3.11Å
1211L79.9Confident82.2Confident20 Ų2055.6 Ų55.611%0.10531%0.308CS..G310 helixtrans-60.4-30.2-177.8-163.570000113F1206 W1213 F1214 L1243F1206-L1211 PolarHBondContact O-N 3.09Å; L1211-W1213 PolarHBondContact O-N 3.13Å; L1211-F1214 PolarHBondContact O-N 3.31Å; L1211-F1214 VanDerWaalsContact O-N 3.14Å; L1211-L1243 HydrophobicContact CB-CD1 3.85Å
1212S80.2Confident81.7Confident72 Ų7263 Ų6350%0.50334%0.34SS..G310 helixtrans-57.1-27.1175.9550000113.9F1210 F1214 D1215F1210-S1212 PolarHBondContact O-N 3.06Å; S1212-F1214 PolarHBondContact O-N 2.9Å; S1212-D1215 PolarHBondContact O-N 3.05Å
1213W82.3Confident81.5Confident157 Ų15764.1 Ų64.160%0.59535%0.345SS*.G310 helixtrans-70.2-19.2-179.7-17163.8000113.5F1210 L1211F1210-W1213 WeakPolarHBondContact O-CB 3.37Å; F1210-W1213 PolarHBondContact O-N 3.44Å; F1210-W1213 VanDerWaalsContact O-N 3.11Å; L1211-W1213 PolarHBondContact O-N 3.13Å
1214F80.9Confident81.3Confident11 Ų1162.9 Ų62.95%0.04834%0.339CS..G310 helixtrans-85.6-16178.5-66.4-90.5000113.6L1211 S1212 Q1216 L1224 V1227 R1228 I1233 F1249L1211-F1214 PolarHBondContact O-N 3.31Å; L1211-F1214 VanDerWaalsContact O-N 3.14Å; S1212-F1214 PolarHBondContact O-N 2.9Å; F1214-Q1216 VanDerWaalsContact C-N 3.29Å; F1214-Q1216 PolarHBondContact O-N 3.01Å; F1214-Q1216 VanDerWaalsContact O-N 3.07Å; F1214-L1224 HydrophobicContact CD1-CB 4.21Å; F1214-L1224 HydrophobicContact CD1-CD2 4.17Å; F1214-L1224 HydrophobicContact CE1-CD2 4.48Å; F1214-V1227 HydrophobicContact CE1-CG1 4.29Å; F1214-R1228 HydrophobicContact CD1-CB 4.25Å; F1214-I1233 HydrophobicContact CE1-CD1 4.04Å; F1214-I1233 HydrophobicContact CE2-CG2 4.39Å; F1214-I1233 HydrophobicContact CZ-CD1 3.64Å; F1214-I1233 HydrophobicContact CZ-CG2 4.48Å; F1214-F1249 HydrophobicContact CB-CE1 3.85Å; F1214-F1249 HydrophobicContact CB-CZ 3.66Å; F1214-F1249 WeakPolarHBondContact O-CZ 3.45Å
1215D80.3Confident81.1Confident85 Ų8563.7 Ų63.746%0.45535%0.345SS..  trans-86.366.7-179.6-168.622.7000111.7S1212 L1246 F1249S1212-D1215 PolarHBondContact O-N 3.05Å; D1215-L1246 HydrophobicContact CB-CD2 3.51Å; D1215-F1249 HydrophobicContact CB-CB 4.24Å; D1215-F1249 HydrophobicContact CB-CD1 4.04Å; D1215-F1249 HydrophobicContact CB-CD2 3.78Å; D1215-F1249 HydrophobicContact CB-CE1 4.35Å; D1215-F1249 HydrophobicContact CB-CE2 4.13Å; D1215-F1249 HydrophobicContact CB-CG 3.74Å; D1215-F1249 HydrophobicContact CB-CZ 4.41Å; D1215-F1249 WeakPolarHBondContact OD1-CD2 3.48Å
1216Q78.2Confident81.2Confident78 Ų7864.5 Ų64.536%0.36435%0.349SS..  trans-100.8146.5169.6-64-170.7-400110.2F1214 G1221 L1224F1214-Q1216 VanDerWaalsContact C-N 3.29Å; F1214-Q1216 PolarHBondContact O-N 3.01Å; F1214-Q1216 VanDerWaalsContact O-N 3.07Å; Q1216-G1221 WeakPolarHBondContact O-CA 3.25Å; Q1216-L1224 HydrophobicContact CB-CD1 4.08Å; Q1216-L1224 HydrophobicContact CG-CD1 3.91Å
1217S72.7Confident81.4Confident119 Ų11961.9 Ų61.983%0.83234%0.342SS*.  trans-85.6157.6174.660.70000112.4
1218G78Confident81.6Confident53 Ų5362.2 Ų62.255%0.54634%0.343SS..Hα-helixtrans85.9-157.4176.200000115.4W1220 G1221 K1222G1218-W1220 PolarHBondContact O-N 3.05Å; G1218-G1221 PolarHBondContact O-N 3.45Å; G1218-K1222 PolarHBondContact O-N 2.93Å
1219G79Confident81.5Confident58 Ų5863 Ų6360%0.59835%0.346SS*.Hα-helixtrans-64-38.2-17500000113.5G1221 K1222 T1223G1219-G1221 VanDerWaalsContact C-N 3.35Å; G1219-K1222 PolarHBondContact O-N 2.82Å; G1219-T1223 PolarHBondContact O-N 2.86Å; G1219-T1223 VanDerWaalsContact O-N 3.13Å; G1219-T1223 PolarHBondContact O-OG1 3.48Å
1220W81.9Confident81.7Confident171 Ų17165.1 Ų65.165%0.64836%0.358SS*.Hα-helixtrans-64.2-39.1174.7-107.469000112.1G1218 K1222 T1223 L1224G1218-W1220 PolarHBondContact O-N 3.05Å; W1220-K1222 PolarHBondContact O-N 2.98Å; W1220-T1223 VanDerWaalsContact CA-OG1 3.32Å; W1220-T1223 WeakPolarHBondContact CA-OG1 3.36Å; W1220-T1223 PolarHBondContact O-N 3.46Å; W1220-T1223 PolarHBondContact O-OG1 3.13Å; W1220-L1224 HydrophobicContact CE3-CD1 4.13Å; W1220-L1224 HydrophobicContact CE3-CG 4.43Å; W1220-L1224 WeakPolarHBondContact O-CB 3.24Å; W1220-L1224 WeakPolarHBondContact O-CG 3.47Å; W1220-L1224 PolarHBondContact O-N 3.32Å
1221G80.7Confident81.8Confident9 Ų965.6 Ų65.69%0.09336%0.36CS..Hα-helixtrans-55.6-45.9170.800000113.8Q1216 G1218 G1219 T1223 L1224 C1225Q1216-G1221 WeakPolarHBondContact O-CA 3.25Å; G1218-G1221 PolarHBondContact O-N 3.45Å; G1219-G1221 VanDerWaalsContact C-N 3.35Å; G1221-T1223 PolarHBondContact O-N 2.68Å; G1221-L1224 PolarHBondContact O-N 2.87Å; G1221-C1225 WeakPolarHBondContact O-CB 3.31Å; G1221-C1225 PolarHBondContact O-N 3.41Å
1222K79.7Confident82Confident158 Ų15865 Ų6569%0.68736%0.357SS*.Hα-helixtrans-62.1-42175.2-68.5-172.9177.5-175.70111.9G1218 G1219 W1220 C1225 I1226G1218-K1222 PolarHBondContact O-N 2.93Å; G1219-K1222 PolarHBondContact O-N 2.82Å; W1220-K1222 PolarHBondContact O-N 2.98Å; K1222-C1225 PolarHBondContact O-N 3.25Å; K1222-I1226 WeakPolarHBondContact O-CD1 3.21Å; K1222-I1226 VanDerWaalsContact O-CG1 3.26Å; K1222-I1226 WeakPolarHBondContact O-CG1 3.18Å; K1222-I1226 PolarHBondContact O-N 2.93Å
1223T84.2Confident82.3Confident73 Ų7362.1 Ų62.145%0.44834%0.336SS..Hα-helixtrans-66.8-38.2175.246.30000112.9G1219 W1220 G1221 I1226 V1227G1219-T1223 PolarHBondContact O-N 2.86Å; G1219-T1223 VanDerWaalsContact O-N 3.13Å; G1219-T1223 PolarHBondContact O-OG1 3.48Å; W1220-T1223 VanDerWaalsContact CA-OG1 3.32Å; W1220-T1223 WeakPolarHBondContact CA-OG1 3.36Å; W1220-T1223 PolarHBondContact O-N 3.46Å; W1220-T1223 PolarHBondContact O-OG1 3.13Å; G1221-T1223 PolarHBondContact O-N 2.68Å; T1223-I1226 PolarHBondContact O-N 2.85Å; T1223-V1227 WeakPolarHBondContact O-CG2 3.35Å; T1223-V1227 PolarHBondContact O-N 2.94Å
1224L85.1Confident82.3Confident13 Ų1355.6 Ų55.67%0.06831%0.314CS..Hα-helixtrans-67.7-37.9176.2-74170.1000111.9F1214 Q1216 W1220 G1221 V1227 R1228F1214-L1224 HydrophobicContact CD1-CB 4.21Å; F1214-L1224 HydrophobicContact CD1-CD2 4.17Å; F1214-L1224 HydrophobicContact CE1-CD2 4.48Å; Q1216-L1224 HydrophobicContact CB-CD1 4.08Å; Q1216-L1224 HydrophobicContact CG-CD1 3.91Å; W1220-L1224 HydrophobicContact CE3-CD1 4.13Å; W1220-L1224 HydrophobicContact CE3-CG 4.43Å; W1220-L1224 WeakPolarHBondContact O-CB 3.24Å; W1220-L1224 WeakPolarHBondContact O-CG 3.47Å; W1220-L1224 PolarHBondContact O-N 3.32Å; G1221-L1224 PolarHBondContact O-N 2.87Å; L1224-V1227 PolarHBondContact O-N 3.2Å; L1224-R1228 WeakPolarHBondContact O-CB 3.45Å; L1224-R1228 PolarHBondContact O-N 2.78Å
1225C84Confident82.5Confident24 Ų2456.9 Ų56.916%0.16232%0.324CS..Hα-helixtrans-63.3-43.5171.1176.70000112.1G1221 K1222 V1227 R1228 Q1229 C1253G1221-C1225 WeakPolarHBondContact O-CB 3.31Å; G1221-C1225 PolarHBondContact O-N 3.41Å; K1222-C1225 PolarHBondContact O-N 3.25Å; C1225-V1227 VanDerWaalsContact C-N 3.32Å; C1225-V1227 PolarHBondContact O-N 3.11Å; C1225-R1228 WeakPolarHBondContact O-CB 3.42Å; C1225-R1228 PolarHBondContact O-N 3.39Å; C1225-Q1229 WeakPolarHBondContact O-CG 3.5Å; C1225-Q1229 PolarHBondContact O-N 3.32Å; C1225-C1253 WeakPolarHBondContact CA-SG 3.27Å; C1225-C1253 HydrophobicContact CB-CB 3.98Å; C1225-C1253 WeakPolarHBondContact CB-SG 3.11Å; C1225-C1253 WeakPolarHBondContact SG-CB 3.35Å; C1225-C1253 CovalentContact SG-SG 2.04Å; C1225-C1253 PolarHBondContact SG-SG 3.41Å
1226I83.8Confident82.7Confident72 Ų7254 Ų5437%0.36931%0.309SS..Hα-helixtrans-60.5-42.1173.8-68.5162.5000110.7K1222 T1223 Q1229 L1230 F1640K1222-I1226 WeakPolarHBondContact O-CD1 3.21Å; K1222-I1226 VanDerWaalsContact O-CG1 3.26Å; K1222-I1226 WeakPolarHBondContact O-CG1 3.18Å; K1222-I1226 PolarHBondContact O-N 2.93Å; T1223-I1226 PolarHBondContact O-N 2.85Å; I1226-Q1229 PolarHBondContact O-N 3.03Å; I1226-L1230 WeakPolarHBondContact O-CB 3.37Å; I1226-L1230 PolarHBondContact O-N 3.12Å; I1226-F1640 HydrophobicContact CG1-CB 4.3Å
1227V86.4Confident82.9Confident58 Ų5851 Ų5135%0.35230%0.296SS..Hα-helixtrans-62.4-44.6175.11690000111.5F1214 T1223 L1224 C1225 Q1229 L1230 F1231F1214-V1227 HydrophobicContact CE1-CG1 4.29Å; T1223-V1227 WeakPolarHBondContact O-CG2 3.35Å; T1223-V1227 PolarHBondContact O-N 2.94Å; L1224-V1227 PolarHBondContact O-N 3.2Å; C1225-V1227 VanDerWaalsContact C-N 3.32Å; C1225-V1227 PolarHBondContact O-N 3.11Å; V1227-Q1229 VanDerWaalsContact C-N 3.33Å; V1227-Q1229 PolarHBondContact O-N 3.4Å; V1227-L1230 PolarHBondContact O-N 2.82Å; V1227-F1231 HydrophobicContact CG1-CD2 4.04Å; V1227-F1231 HydrophobicContact CG1-CE2 4.43Å; V1227-F1231 PolarHBondContact O-N 3Å; V1227-F1231 VanDerWaalsContact O-N 3.09Å
1228R85.5Confident83.3Confident8 Ų852.7 Ų52.73%0.0330%0.295CS..Hα-helixtrans-58.8-42.7176.1-179-178.6165.5-147.1-18.6111.5F1214 L1224 C1225 S1232 I1233 F1249 C1253 V1255F1214-R1228 HydrophobicContact CD1-CB 4.25Å; L1224-R1228 WeakPolarHBondContact O-CB 3.45Å; L1224-R1228 PolarHBondContact O-N 2.78Å; C1225-R1228 WeakPolarHBondContact O-CB 3.42Å; C1225-R1228 PolarHBondContact O-N 3.39Å; R1228-S1232 CarbonylContact O-C 3.47Å; R1228-S1232 VanDerWaalsContact O-CA 3.25Å; R1228-S1232 WeakPolarHBondContact O-CA 3.39Å; R1228-S1232 PolarHBondContact O-N 3.05Å; R1228-I1233 HydrophobicContact CG-CB 4.28Å; R1228-I1233 WeakPolarHBondContact CG-O 3.49Å; R1228-I1233 PolarHBondContact O-N 2.78Å; R1228-F1249 PolarHBondContact NH1-O 2.88Å; R1228-C1253 PolarHBondContact NH1-O 3.41Å; R1228-C1253 PolarHBondContact NH2-O 3.13Å; R1228-V1255 HydrophobicContact CG-CG2 4.08Å
1229Q83.2Confident83.3Confident17 Ų1754.4 Ų54.48%0.07929%0.289CS..Hα-helixtrans-71.8-40.4176.3-72.7177.9-19.500112.9C1225 I1226 V1227 S1232 A1254 V1255C1225-Q1229 WeakPolarHBondContact O-CG 3.5Å; C1225-Q1229 PolarHBondContact O-N 3.32Å; I1226-Q1229 PolarHBondContact O-N 3.03Å; V1227-Q1229 VanDerWaalsContact C-N 3.33Å; V1227-Q1229 PolarHBondContact O-N 3.4Å; Q1229-S1232 PolarHBondContact O-N 3.4Å; Q1229-A1254 PolarHBondContact NE2-O 3.17Å; Q1229-V1255 HydrophobicContact CG-CG2 3.84Å
1230L85.3Confident83.5Confident48 Ų4852.2 Ų52.225%0.25126%0.264SS..Hα-helixtrans-69.1-36.2-176.1-167.7113.2000113.2L1150 I1226 V1227L1150-L1230 HydrophobicContact CB-CD2 4.1Å; L1150-L1230 HydrophobicContact CB-CG 4.21Å; L1150-L1230 WeakPolarHBondContact CB-O 3.35Å; L1150-L1230 HydrophobicContact CD1-CD2 4.34Å; L1150-L1230 HydrophobicContact CD2-CD2 3.94Å; L1150-L1230 HydrophobicContact CG-CD2 4.35Å; L1150-L1230 PolarHBondContact N-O 2.72Å; I1226-L1230 WeakPolarHBondContact O-CB 3.37Å; I1226-L1230 PolarHBondContact O-N 3.12Å; V1227-L1230 PolarHBondContact O-N 2.82Å
1231F85.9Confident83.5Confident74 Ų7448 Ų4833%0.32525%0.252SS..THydrogen-bonded Turntrans-95.6-3.3174.4-70.6-74.2000113.7L1150 F1151 V1227 I1233L1150-F1231 HydrophobicContact CD2-CE1 3.83Å; L1150-F1231 HydrophobicContact CD2-CZ 4.04Å; F1151-F1231 HydrophobicContact CE2-CD1 4.04Å; F1151-F1231 AromaticContact CZ-CD1 3.88Å; F1151-F1231 HydrophobicContact CZ-CD1 3.88Å; F1151-F1231 HydrophobicContact CZ-CE1 4.4Å; V1227-F1231 HydrophobicContact CG1-CD2 4.04Å; V1227-F1231 HydrophobicContact CG1-CE2 4.43Å; V1227-F1231 PolarHBondContact O-N 3Å; V1227-F1231 VanDerWaalsContact O-N 3.09Å; F1231-I1233 HydrophobicContact CB-CD1 4.19Å; F1231-I1233 HydrophobicContact CB-CG1 3.88Å
1232S84.7Confident83.2Confident7 Ų752.9 Ų52.95%0.04928%0.279CS..THydrogen-bonded Turntrans50.754.4-173.6-1770000113.7R1228 Q1229 T1234 V1255 E1259R1228-S1232 CarbonylContact O-C 3.47Å; R1228-S1232 VanDerWaalsContact O-CA 3.25Å; R1228-S1232 WeakPolarHBondContact O-CA 3.39Å; R1228-S1232 PolarHBondContact O-N 3.05Å; Q1229-S1232 PolarHBondContact O-N 3.4Å; S1232-T1234 PolarHBondContact O-N 2.65Å; S1232-V1255 WeakPolarHBondContact OG-CG1 3.42Å; S1232-E1259 WeakPolarHBondContact CB-OE2 3.26Å; S1232-E1259 VanDerWaalsContact OG-CB 3.3Å; S1232-E1259 WeakPolarHBondContact OG-CB 3.5Å; S1232-E1259 PolarHBondContact OG-OE2 2.85Å
1233I86Confident83.2Confident11 Ų1146.2 Ų46.26%0.05625%0.251CS..  trans-78108.2-179.4-55.9175000109.4L1203 F1214 R1228 F1231L1203-I1233 HydrophobicContact CD2-CD1 4.37Å; L1203-I1233 HydrophobicContact CD2-CG1 4.42Å; F1214-I1233 HydrophobicContact CE1-CD1 4.04Å; F1214-I1233 HydrophobicContact CE2-CG2 4.39Å; F1214-I1233 HydrophobicContact CZ-CD1 3.64Å; F1214-I1233 HydrophobicContact CZ-CG2 4.48Å; R1228-I1233 HydrophobicContact CG-CB 4.28Å; R1228-I1233 WeakPolarHBondContact CG-O 3.49Å; R1228-I1233 PolarHBondContact O-N 2.78Å; F1231-I1233 HydrophobicContact CB-CD1 4.19Å; F1231-I1233 HydrophobicContact CB-CG1 3.88Å
1234T83.4Confident82.7Confident21 Ų2150.2 Ų50.213%0.12926%0.262CS..  trans-155.4153.1175.7-172.40000110.2Q1204 S1232 V1255 T1257Q1204-T1234 PolarHBondContact NE2-O 3.28Å; Q1204-T1234 VanDerWaalsContact NE2-O 3.16Å; S1232-T1234 PolarHBondContact O-N 2.65Å; T1234-V1255 HydrophobicContact CG2-CG1 4.44Å; T1234-T1257 HydrophobicContact CG2-CG2 4.41Å
1235C85.5Confident82Confident38 Ų3857.4 Ų57.426%0.25730%0.295SS..  trans-72.5132.8172-164.70000110.4C1208C1208-C1235 HydrophobicContact CB-CB 3.88Å; C1208-C1235 WeakPolarHBondContact CB-SG 3.19Å; C1208-C1235 WeakPolarHBondContact SG-CA 3.37Å; C1208-C1235 WeakPolarHBondContact SG-CB 3.38Å; C1208-C1235 CovalentContact SG-SG 2.04Å; C1208-C1235 PolarHBondContact SG-SG 3.3Å
1236V84Confident81.7Confident23 Ų2356.8 Ų56.814%0.13929%0.29CS..  trans-112.3-24.3-178.2167.40000112M979 N1238 N1261M979-V1236 HydrophobicContact CE-CG1 4.47Å; V1236-N1238 PolarHBondContact O-N 3.11Å; V1236-N1261 WeakPolarHBondContact CG1-OD1 3.45Å
1237N81.7Confident81.4Confident17 Ų1757.9 Ų57.99%0.09129%0.294CS..  trans-76.1114.9-179.1-166.5-21000110.6E1239 C1240N1237-E1239 PolarHBondContact O-N 3.26Å; N1237-E1239 PolarHBondContact OD1-N 3.36Å; N1237-C1240 WeakPolarHBondContact O-CB 3.49Å; N1237-C1240 PolarHBondContact O-N 3.06Å; N1237-C1240 VanDerWaalsContact O-N 3.17Å
1238N80.7Confident80.9Confident153 Ų15360.8 Ų60.882%0.81831%0.308SS*.THydrogen-bonded Turntrans-62.2-23.1-176.4-67.1-17.8000114V1236 C1240V1236-N1238 PolarHBondContact O-N 3.11Å; N1238-C1240 VanDerWaalsContact C-N 3.3Å
1239E79.6Confident80.6Confident90 Ų9061.4 Ų61.442%0.42131%0.311SS..THydrogen-bonded Turntrans-84.5-6.8-177.7-55.4-66.1156.200112.1Y1053 N1237Y1053-E1239 HydrophobicContact CD1-CB 4.42Å; Y1053-E1239 HydrophobicContact CE1-CB 3.72Å; Y1053-E1239 HydrophobicContact CE1-CG 4.46Å; Y1053-E1239 HydrophobicContact CE2-CB 3.84Å; Y1053-E1239 WeakPolarHBondContact OH-CB 3.47Å; Y1053-E1239 WeakPolarHBondContact OH-CG 3.19Å; N1237-E1239 PolarHBondContact O-N 3.26Å; N1237-E1239 PolarHBondContact OD1-N 3.36Å
1240C82.9Confident80.2Confident12 Ų1262.7 Ų62.78%0.08132%0.321CS..SBendtrans-81.9135.4170.7-69.50000110.9N1050 N1237 N1238N1050-C1240 HydrophobicContact CB-CB 4.43Å; N1050-C1240 WeakPolarHBondContact OD1-CA 3.39Å; N1050-C1240 WeakPolarHBondContact OD1-CB 3.44Å; N1237-C1240 WeakPolarHBondContact O-CB 3.49Å; N1237-C1240 PolarHBondContact O-N 3.06Å; N1237-C1240 VanDerWaalsContact O-N 3.17Å; N1238-C1240 VanDerWaalsContact C-N 3.3Å
1241H81.9Confident79.7Confident83 Ų8365.9 Ų65.938%0.38433%0.333SS..PPolyproline II helixtrans-62.6138173.5-75.2-159.9000111.6D1046 F1049 N1050 L1243D1046-H1241 HydrophobicContact CB-CB 3.99Å; D1046-H1241 IonicContact OD1-CE1 3.42Å; D1046-H1241 IonicContact OD1-CG 3.91Å; D1046-H1241 IonicContact OD1-ND1 3.95Å; D1046-H1241 PolarHBondContact OD1-ND1 3.17Å; F1049-H1241 HydrophobicContact CD1-CB 4.45Å; F1049-H1241 AromaticContact CD1-CD2 3.53Å; F1049-H1241 AromaticContact CD1-CG 3.82Å; F1049-H1241 AromaticContact CD1-NE2 3.8Å; F1049-H1241 AromaticContact CE1-CD2 3.43Å; F1049-H1241 VanDerWaalsContact CE1-CD2 3.43Å; F1049-H1241 WeakPolarHBondContact CE1-CD2 3.17Å; F1049-H1241 AromaticContact CE1-NE2 3.58Å; F1049-H1241 AromaticContact CZ-NE2 3.85Å; N1050-H1241 PolarHBondContact ND2-O 2.95Å; N1050-H1241 PolarHBondContact OD1-N 3.31Å; H1241-L1243 PolarHBondContact O-N 3.14Å
1242V74.8Confident79.2Confident111 Ų11166.5 Ų66.567%0.67335%0.352SS*.PPolyproline II helixtrans-73123.5171.3-178.30000109.1K1244V1242-K1244 PolarHBondContact O-N 2.88Å
1243L79.4Confident79Confident17 Ų1766.3 Ų66.39%0.08935%0.351CS..  trans-65.992.7177.6-66.2164000110.5D1046 A1047 L1211 H1241 E1245 L1246D1046-L1243 HydrophobicContact CB-CD2 4.19Å; A1047-L1243 HydrophobicContact CB-CD2 3.99Å; L1211-L1243 HydrophobicContact CB-CD1 3.85Å; H1241-L1243 PolarHBondContact O-N 3.14Å; L1243-E1245 VanDerWaalsContact C-N 3.25Å; L1243-E1245 PolarHBondContact O-N 3.16Å; L1243-L1246 HydrophobicContact CB-CD1 4.03Å; L1243-L1246 HydrophobicContact CD1-CD1 4.16Å; L1243-L1246 PolarHBondContact O-N 2.73Å
1244K73.7Confident78.6Confident158 Ų15867.9 Ų67.969%0.68737%0.365SS*.G310 helixtrans-55.7-36-172.5-68.5173.6-176.91610113.9V1242 L1246 E1247V1242-K1244 PolarHBondContact O-N 2.88Å; K1244-L1246 PolarHBondContact O-N 3.38Å; K1244-L1246 VanDerWaalsContact O-N 3.11Å; K1244-E1247 PolarHBondContact O-N 3.38Å
1245E70.2Confident78.3Confident163 Ų16368.2 Ų68.276%0.76237%0.367SS*.G310 helixtrans-59.7-21178.3-62.3178.2162.600113.3L1243L1243-E1245 VanDerWaalsContact C-N 3.25Å; L1243-E1245 PolarHBondContact O-N 3.16Å
1246L76.6Confident77.8Confident11 Ų1170 Ų706%0.05837%0.372CS..G310 helixtrans-111.111.5-173.7-73.5142.3000113.5D1215 L1243 K1244 D1248 F1249 S1250D1215-L1246 HydrophobicContact CB-CD2 3.51Å; L1243-L1246 HydrophobicContact CB-CD1 4.03Å; L1243-L1246 HydrophobicContact CD1-CD1 4.16Å; L1243-L1246 PolarHBondContact O-N 2.73Å; K1244-L1246 PolarHBondContact O-N 3.38Å; K1244-L1246 VanDerWaalsContact O-N 3.11Å; L1246-D1248 VanDerWaalsContact C-N 3.32Å; L1246-D1248 PolarHBondContact O-N 3.08Å; L1246-F1249 HydrophobicContact CD2-CB 4.05Å; L1246-F1249 HydrophobicContact CD2-CD1 3.8Å; L1246-F1249 HydrophobicContact CD2-CG 4.16Å; L1246-F1249 PolarHBondContact O-N 3.25Å; L1246-S1250 WeakPolarHBondContact O-CB 3.2Å; L1246-S1250 PolarHBondContact O-N 3.19Å
1247E77.4Confident77.5Confident96 Ų9672.9 Ų72.945%0.44939%0.39SS..Hα-helixtrans-62.3-40.1-177.7-157.2-168.1126.800111.7K1244 S1250 K1251K1244-E1247 PolarHBondContact O-N 3.38Å; E1247-S1250 WeakPolarHBondContact O-CB 3.35Å; E1247-S1250 PolarHBondContact O-N 3.1Å; E1247-S1250 PolarHBondContact O-OG 3.33Å; E1247-K1251 WeakPolarHBondContact O-CG 3.43Å; E1247-K1251 PolarHBondContact O-N 2.88Å; E1247-K1251 WeakPolarHBondContact OE1-CE 3.44Å; E1247-K1251 IonicContact OE1-NZ 2.64Å; E1247-K1251 PolarHBondContact OE1-NZ 3.05Å
1248D76.8Confident77.3Confident119 Ų11977.7 Ų77.764%0.63641%0.41SS*.Hα-helixtrans-72.6-36.4177.9-71-17.9000112.7L1246 S1250 K1251 A1252L1246-D1248 VanDerWaalsContact C-N 3.32Å; L1246-D1248 PolarHBondContact O-N 3.08Å; D1248-S1250 VanDerWaalsContact C-N 3.26Å; D1248-S1250 PolarHBondContact O-N 2.94Å; D1248-K1251 PolarHBondContact O-N 2.6Å; D1248-K1251 IonicContact OD1-NZ 3.75Å; D1248-K1251 PolarHBondContact OD1-NZ 3.33Å; D1248-A1252 WeakPolarHBondContact O-CB 3.39Å; D1248-A1252 PolarHBondContact O-N 2.9Å
1249F79.7Confident77.1Confident21 Ų2171.2 Ų71.29%0.09238%0.375CS..Hα-helixtrans-62.1-34.9168.3174.9-109000111.9F1214 D1215 R1228 L1246 K1251 C1253F1214-F1249 HydrophobicContact CB-CE1 3.85Å; F1214-F1249 HydrophobicContact CB-CZ 3.66Å; F1214-F1249 WeakPolarHBondContact O-CZ 3.45Å; D1215-F1249 HydrophobicContact CB-CB 4.24Å; D1215-F1249 HydrophobicContact CB-CD1 4.04Å; D1215-F1249 HydrophobicContact CB-CD2 3.78Å; D1215-F1249 HydrophobicContact CB-CE1 4.35Å; D1215-F1249 HydrophobicContact CB-CE2 4.13Å; D1215-F1249 HydrophobicContact CB-CG 3.74Å; D1215-F1249 HydrophobicContact CB-CZ 4.41Å; D1215-F1249 WeakPolarHBondContact OD1-CD2 3.48Å; R1228-F1249 PolarHBondContact NH1-O 2.88Å; L1246-F1249 HydrophobicContact CD2-CB 4.05Å; L1246-F1249 HydrophobicContact CD2-CD1 3.8Å; L1246-F1249 HydrophobicContact CD2-CG 4.16Å; L1246-F1249 PolarHBondContact O-N 3.25Å; F1249-K1251 VanDerWaalsContact C-N 3.35Å; F1249-C1253 HydrophobicContact CE2-CB 4.16Å; F1249-C1253 HydrophobicContact CZ-CB 4.32Å; F1249-C1253 WeakPolarHBondContact O-CB 3.47Å; F1249-C1253 PolarHBondContact O-N 3.43Å
1250S74.3Confident76.9Confident43 Ų4367.2 Ų67.230%0.30136%0.358SS..Hα-helixtrans-66.2-36.4175.988.90000112.3L1246 E1247 D1248 C1253 A1254L1246-S1250 WeakPolarHBondContact O-CB 3.2Å; L1246-S1250 PolarHBondContact O-N 3.19Å; E1247-S1250 WeakPolarHBondContact O-CB 3.35Å; E1247-S1250 PolarHBondContact O-N 3.1Å; E1247-S1250 PolarHBondContact O-OG 3.33Å; D1248-S1250 VanDerWaalsContact C-N 3.26Å; D1248-S1250 PolarHBondContact O-N 2.94Å; S1250-C1253 CarbonylContact O-C 3.58Å; S1250-A1254 WeakPolarHBondContact O-CA 3.35Å; S1250-A1254 PolarHBondContact O-N 3.34Å
1251K75.4Confident77Confident115 Ų11569.7 Ų69.750%0.537%0.37SS..Hα-helixtrans-75-42.1175.5-66.8164.9-167153.60112.1E1247 D1248 F1249E1247-K1251 WeakPolarHBondContact O-CG 3.43Å; E1247-K1251 PolarHBondContact O-N 2.88Å; E1247-K1251 WeakPolarHBondContact OE1-CE 3.44Å; E1247-K1251 IonicContact OE1-NZ 2.64Å; E1247-K1251 PolarHBondContact OE1-NZ 3.05Å; D1248-K1251 PolarHBondContact O-N 2.6Å; D1248-K1251 IonicContact OD1-NZ 3.75Å; D1248-K1251 PolarHBondContact OD1-NZ 3.33Å; F1249-K1251 VanDerWaalsContact C-N 3.35Å
1252A74.9Confident77.3Confident87 Ų8765.8 Ų65.872%0.71935%0.352SS*.Hα-helixtrans-67.2-37.3178.500000112.4D1248D1248-A1252 WeakPolarHBondContact O-CB 3.39Å; D1248-A1252 PolarHBondContact O-N 2.9Å
1253C80.5Confident77.9Confident3 Ų361.4 Ų61.42%0.0233%0.33CS..THydrogen-bonded Turntrans-117.766.5177.4-169.20000110.8C1225 R1228 F1249 S1250C1225-C1253 WeakPolarHBondContact CA-SG 3.27Å; C1225-C1253 HydrophobicContact CB-CB 3.98Å; C1225-C1253 WeakPolarHBondContact CB-SG 3.11Å; C1225-C1253 WeakPolarHBondContact SG-CB 3.35Å; C1225-C1253 CovalentContact SG-SG 2.04Å; C1225-C1253 PolarHBondContact SG-SG 3.41Å; R1228-C1253 PolarHBondContact NH1-O 3.41Å; R1228-C1253 PolarHBondContact NH2-O 3.13Å; F1249-C1253 HydrophobicContact CE2-CB 4.16Å; F1249-C1253 HydrophobicContact CZ-CB 4.32Å; F1249-C1253 WeakPolarHBondContact O-CB 3.47Å; F1249-C1253 PolarHBondContact O-N 3.43Å; S1250-C1253 CarbonylContact O-C 3.58Å
1254A77.6Confident78.4Confident44 Ų4466.2 Ų66.236%0.36435%0.35SS..  trans-64.9143-177.500000112.9Q1229 S1250Q1229-A1254 PolarHBondContact NE2-O 3.17Å; S1250-A1254 WeakPolarHBondContact O-CA 3.35Å; S1250-A1254 PolarHBondContact O-N 3.34Å
1255V76.6Confident79.2Confident28 Ų2858.9 Ų58.917%0.1732%0.318CS..  trans-141.6138.7176175.70000108R1228 Q1229 S1232 T1234R1228-V1255 HydrophobicContact CG-CG2 4.08Å; Q1229-V1255 HydrophobicContact CG-CG2 3.84Å; S1232-V1255 WeakPolarHBondContact OG-CG1 3.42Å; T1234-V1255 HydrophobicContact CG2-CG1 4.44Å
1256E75.9Confident80.2Confident75 Ų7551.6 Ų51.635%0.3529%0.285SS..  trans-80121.4178.7-70.3-169.3-149.800112.1K1258 E1259 Q1667E1256-K1258 PolarHBondContact O-N 3.33Å; E1256-K1258 VanDerWaalsContact O-N 3.08Å; E1256-E1259 HydrophobicContact CB-CG 4.28Å; E1256-E1259 PolarHBondContact O-N 2.91Å; E1256-E1259 VanDerWaalsContact O-N 3.14Å; E1256-Q1667 PolarHBondContact OE1-NE2 2.72Å
1257T75.9Confident80.9Confident85 Ų8555 Ų5552%0.52130%0.302SS..Hα-helixtrans-59.8-23.7-179.453.80000114.2T1234 E1259 G1260T1234-T1257 HydrophobicContact CG2-CG2 4.41Å; T1257-E1259 PolarHBondContact O-N 2.88Å; T1257-G1260 PolarHBondContact O-N 3.25Å
1258K78Confident81.6Confident118 Ų11850.4 Ų50.451%0.51328%0.281SS..Hα-helixtrans-59-32.7176.7-65.5174.6-1731610112.8E1256 N1261 D1669E1256-K1258 PolarHBondContact O-N 3.33Å; E1256-K1258 VanDerWaalsContact O-N 3.08Å; K1258-N1261 WeakPolarHBondContact O-CB 3.48Å; K1258-N1261 PolarHBondContact O-N 3.21Å; K1258-D1669 IonicContact NZ-OD2 2.66Å; K1258-D1669 PolarHBondContact NZ-OD2 3.05Å
1259E76Confident82.3Confident17 Ų1745 Ų458%0.07925%0.252CS..Hα-helixtrans-75.8-29.1-173.3-60-170.4164.100113.3T1148 K1200 S1232 E1256 T1257 N1261T1148-E1259 WeakPolarHBondContact CA-OE1 3.4Å; T1148-E1259 WeakPolarHBondContact CB-OE1 3.38Å; T1148-E1259 VanDerWaalsContact N-CD 3.32Å; T1148-E1259 PolarHBondContact N-OE1 3.46Å; T1148-E1259 PolarHBondContact OG1-OE1 3.47Å; K1200-E1259 WeakPolarHBondContact CE-O 3.37Å; K1200-E1259 PolarHBondContact NZ-O 3.45Å; S1232-E1259 WeakPolarHBondContact CB-OE2 3.26Å; S1232-E1259 VanDerWaalsContact OG-CB 3.3Å; S1232-E1259 WeakPolarHBondContact OG-CB 3.5Å; S1232-E1259 PolarHBondContact OG-OE2 2.85Å; E1256-E1259 HydrophobicContact CB-CG 4.28Å; E1256-E1259 PolarHBondContact O-N 2.91Å; E1256-E1259 VanDerWaalsContact O-N 3.14Å; T1257-E1259 PolarHBondContact O-N 2.88Å; E1259-N1261 VanDerWaalsContact C-N 3.26Å; E1259-N1261 PolarHBondContact O-N 3.04Å
1260G76.9Confident82.9Confident6 Ų645.1 Ų45.16%0.06226%0.255CS..Hα-helixtrans-69.3-20.8175.100000113.7T1257T1257-G1260 PolarHBondContact O-N 3.25Å
1261N84.4Confident83.8Confident64 Ų6447.2 Ų47.234%0.34226%0.259SS..  trans-66.2143.8178.5-70.2-40.2000112.3K1200 V1236 K1258 E1259K1200-N1261 PolarHBondContact NZ-O 2.87Å; V1236-N1261 WeakPolarHBondContact CG1-OD1 3.45Å; K1258-N1261 WeakPolarHBondContact O-CB 3.48Å; K1258-N1261 PolarHBondContact O-N 3.21Å; E1259-N1261 VanDerWaalsContact C-N 3.26Å; E1259-N1261 PolarHBondContact O-N 3.04Å
1262I89.3Confident84.6Confident0 Ų041.7 Ų41.70%024%0.235CC..  trans-95.31.6176.271.7174.8000114.2I975 F976 M979 I1197 K1200 V1201 F1264 D1265 V1266I975-I1262 HydrophobicContact CG2-CD1 3.77Å; F976-I1262 HydrophobicContact CB-CD1 4Å; F976-I1262 HydrophobicContact CB-CG1 3.95Å; F976-I1262 HydrophobicContact CD2-CG1 3.8Å; F976-I1262 HydrophobicContact CG-CG1 4.31Å; M979-I1262 HydrophobicContact CE-CB 4.3Å; M979-I1262 HydrophobicContact CE-CD1 4.17Å; M979-I1262 HydrophobicContact CE-CG1 3.69Å; M979-I1262 HydrophobicContact CE-CG2 4.07Å; M979-I1262 HydrophobicContact SD-CD1 4.25Å; M979-I1262 HydrophobicContact SD-CG1 4.41Å; I1197-I1262 HydrophobicContact CG2-CD1 4.14Å; K1200-I1262 HydrophobicContact CB-CG2 3.65Å; K1200-I1262 HydrophobicContact CD-CG2 3.68Å; K1200-I1262 HydrophobicContact CG-CG2 4.34Å; V1201-I1262 HydrophobicContact CG2-CD1 4.36Å; I1262-F1264 PolarHBondContact O-N 2.92Å; I1262-D1265 HydrophobicContact CB-CB 4.49Å; I1262-D1265 WeakPolarHBondContact O-CA 3.39Å; I1262-D1265 VanDerWaalsContact O-CB 3.31Å; I1262-D1265 WeakPolarHBondContact O-CB 3.36Å; I1262-D1265 PolarHBondContact O-N 3.03Å; I1262-V1266 HydrophobicContact CD1-CG2 4.03Å; I1262-V1266 HydrophobicContact CG1-CG2 4.05Å; I1262-V1266 PolarHBondContact O-N 2.89Å
1263G87.3Confident85.4Confident20 Ų2038.4 Ų38.421%0.20621%0.206CC..Hα-helixtrans-55.9-43.5-169.700000114.2V1266 I1267G1263-V1266 PolarHBondContact O-N 3.23Å; G1263-I1267 WeakPolarHBondContact O-CG1 3.49Å; G1263-I1267 PolarHBondContact O-N 3.29Å
1264F88.3Confident85.8Confident117 Ų11742.2 Ų42.251%0.51322%0.222SC..Hα-helixtrans-69.7-31.2175.2-70.8-74.9000113.1A1143 A1146 I1262 I1267 A1268A1143-F1264 HydrophobicContact CB-CB 4.16Å; A1146-F1264 HydrophobicContact CB-CD1 4.38Å; A1146-F1264 HydrophobicContact CB-CD2 3.52Å; A1146-F1264 HydrophobicContact CB-CE1 4.46Å; A1146-F1264 HydrophobicContact CB-CE2 3.62Å; A1146-F1264 HydrophobicContact CB-CG 3.93Å; A1146-F1264 HydrophobicContact CB-CZ 4.1Å; I1262-F1264 PolarHBondContact O-N 2.92Å; F1264-I1267 PolarHBondContact O-N 3.16Å; F1264-A1268 WeakPolarHBondContact O-CB 3.27Å; F1264-A1268 PolarHBondContact O-N 3.44Å
1265D90.7Very high86.5Confident4 Ų440.2 Ų40.22%0.02121%0.206CC..Hα-helixtrans-65.8-39.9174.4-59.8-79.7000111.2Y1155 T1196 I1197 K1200 I1262 A1268 L1269Y1155-D1265 WeakPolarHBondContact CE2-OD1 3.46Å; Y1155-D1265 VanDerWaalsContact CZ-OD1 3.29Å; Y1155-D1265 PolarHBondContact OH-OD1 3.42Å; T1196-D1265 PolarHBondContact OG1-OD1 2.97Å; I1197-D1265 HydrophobicContact CD1-CB 4.06Å; I1197-D1265 HydrophobicContact CG1-CB 3.6Å; K1200-D1265 IonicContact NZ-OD2 2.74Å; K1200-D1265 PolarHBondContact NZ-OD2 2.9Å; I1262-D1265 HydrophobicContact CB-CB 4.49Å; I1262-D1265 WeakPolarHBondContact O-CA 3.39Å; I1262-D1265 VanDerWaalsContact O-CB 3.31Å; I1262-D1265 WeakPolarHBondContact O-CB 3.36Å; I1262-D1265 PolarHBondContact O-N 3.03Å; D1265-A1268 PolarHBondContact O-N 3.26Å; D1265-L1269 WeakPolarHBondContact O-CB 3.12Å; D1265-L1269 PolarHBondContact O-N 3.05Å
1266V91.6Very high87Confident10 Ų1040.1 Ų40.16%0.06120%0.204CC..Hα-helixtrans-68.7-33.8176.6177.50000112.2I973 F976 I1197 I1262 G1263 S1270I973-V1266 HydrophobicContact CG1-CG1 4.43Å; F976-V1266 HydrophobicContact CB-CG2 4.37Å; I1197-V1266 HydrophobicContact CD1-CG2 4.34Å; I1262-V1266 HydrophobicContact CD1-CG2 4.03Å; I1262-V1266 HydrophobicContact CG1-CG2 4.05Å; I1262-V1266 PolarHBondContact O-N 2.89Å; G1263-V1266 PolarHBondContact O-N 3.23Å; V1266-S1270 PolarHBondContact O-N 3.49Å; V1266-S1270 PolarHBondContact O-OG 3.16Å
1267I91.5Very high87.6Confident83 Ų8339.5 Ų39.543%0.42620%0.198SC..Hα-helixtrans-66.8-46.8171.7-66.4168.3000110.3G1263 F1264 L1269 S1270 F1271G1263-I1267 WeakPolarHBondContact O-CG1 3.49Å; G1263-I1267 PolarHBondContact O-N 3.29Å; F1264-I1267 PolarHBondContact O-N 3.16Å; I1267-L1269 VanDerWaalsContact C-N 3.34Å; I1267-L1269 PolarHBondContact O-N 2.9Å; I1267-S1270 WeakPolarHBondContact O-CB 3.43Å; I1267-S1270 PolarHBondContact O-N 3.47Å; I1267-F1271 HydrophobicContact CG2-CD2 4.01Å; I1267-F1271 HydrophobicContact CG2-CE2 3.97Å; I1267-F1271 WeakPolarHBondContact O-CD2 3.4Å; I1267-F1271 PolarHBondContact O-N 2.89Å; I1267-F1271 VanDerWaalsContact O-N 3.12Å
1268A91.4Very high88.2Confident0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-59.5-44175.900000111.8T1140 A1143 F1264 D1265 S1270 F1271 L1272T1140-A1268 HydrophobicContact CG2-CB 4.09Å; A1143-A1268 HydrophobicContact CB-CB 4.39Å; F1264-A1268 WeakPolarHBondContact O-CB 3.27Å; F1264-A1268 PolarHBondContact O-N 3.44Å; D1265-A1268 PolarHBondContact O-N 3.26Å; A1268-S1270 VanDerWaalsContact C-N 3.33Å; A1268-S1270 PolarHBondContact O-N 3.25Å; A1268-F1271 PolarHBondContact O-N 3.47Å; A1268-L1272 WeakPolarHBondContact O-CB 3.36Å; A1268-L1272 VanDerWaalsContact O-CG 3.27Å; A1268-L1272 WeakPolarHBondContact O-CG 3.38Å; A1268-L1272 PolarHBondContact O-N 3.06Å
1269L93.2Very high88.6Confident4 Ų431 Ų312%0.02116%0.155CC..Hα-helixtrans-55.6-46.4173.417766.3000111.7L990 L1190 L1194 I1197 D1265 I1267 F1271 L1272 V1273L990-L1269 HydrophobicContact CD2-CD2 3.92Å; L1190-L1269 HydrophobicContact CD1-CD1 3.5Å; L1194-L1269 HydrophobicContact CD2-CD1 3.92Å; L1194-L1269 HydrophobicContact CD2-CD2 4.49Å; L1194-L1269 HydrophobicContact CG-CD1 4.35Å; I1197-L1269 HydrophobicContact CD1-CB 4.42Å; I1197-L1269 HydrophobicContact CD1-CD2 4.09Å; D1265-L1269 WeakPolarHBondContact O-CB 3.12Å; D1265-L1269 PolarHBondContact O-N 3.05Å; I1267-L1269 VanDerWaalsContact C-N 3.34Å; I1267-L1269 PolarHBondContact O-N 2.9Å; L1269-F1271 PolarHBondContact O-N 2.92Å; L1269-L1272 PolarHBondContact O-N 2.7Å; L1269-V1273 HydrophobicContact CD1-CG2 4.1Å; L1269-V1273 HydrophobicContact CG-CG2 4.45Å; L1269-V1273 WeakPolarHBondContact O-CG2 3.47Å; L1269-V1273 PolarHBondContact O-N 3.35Å
1270S92.1Very high88.9Confident25 Ų2532.3 Ų32.318%0.17516%0.161CC..Hα-helixtrans-59-47.3179.3-60.50000111.7V1266 I1267 A1268 F1274V1266-S1270 PolarHBondContact O-N 3.49Å; V1266-S1270 PolarHBondContact O-OG 3.16Å; I1267-S1270 WeakPolarHBondContact O-CB 3.43Å; I1267-S1270 PolarHBondContact O-N 3.47Å; A1268-S1270 VanDerWaalsContact C-N 3.33Å; A1268-S1270 PolarHBondContact O-N 3.25Å; S1270-F1274 VanDerWaalsContact O-CD2 3.27Å; S1270-F1274 WeakPolarHBondContact O-CD2 3.19Å; S1270-F1274 PolarHBondContact O-N 2.95Å
1271F92.5Very high89.3Confident86 Ų8633.4 Ų33.438%0.37717%0.168SC..Hα-helixtrans-65-40176-82.5-72.9000112.8I1135 T1136 S1139 I1267 A1268 L1269 F1274 Q1275I1135-F1271 HydrophobicContact CG2-CE1 4.14Å; T1136-F1271 HydrophobicContact CG2-CB 3.9Å; T1136-F1271 HydrophobicContact CG2-CD1 4.17Å; T1136-F1271 HydrophobicContact CG2-CG 4.45Å; S1139-F1271 WeakPolarHBondContact OG-CD2 3.4Å; I1267-F1271 HydrophobicContact CG2-CD2 4.01Å; I1267-F1271 HydrophobicContact CG2-CE2 3.97Å; I1267-F1271 WeakPolarHBondContact O-CD2 3.4Å; I1267-F1271 PolarHBondContact O-N 2.89Å; I1267-F1271 VanDerWaalsContact O-N 3.12Å; A1268-F1271 PolarHBondContact O-N 3.47Å; L1269-F1271 PolarHBondContact O-N 2.92Å; F1271-F1274 PolarHBondContact O-N 3.3Å; F1271-Q1275 VanDerWaalsContact O-CB 3.26Å; F1271-Q1275 WeakPolarHBondContact O-CB 3.49Å; F1271-Q1275 PolarHBondContact O-N 2.94Å
1272L92.4Very high89.3Confident0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-64.7-44.4178.4-72.8167.4000112.2T1140 W1186 L1189 L1190 T1193 A1268 L1269 F1274 Q1275 I1276T1140-L1272 HydrophobicContact CG2-CD1 4.15Å; T1140-L1272 HydrophobicContact CG2-CD2 4.46Å; T1140-L1272 HydrophobicContact CG2-CG 4.39Å; W1186-L1272 HydrophobicContact CE3-CD2 3.63Å; W1186-L1272 HydrophobicContact CZ3-CD2 3.63Å; L1189-L1272 HydrophobicContact CD2-CD2 3.95Å; L1189-L1272 HydrophobicContact CG-CD1 4.28Å; L1189-L1272 HydrophobicContact CG-CD2 4.14Å; L1190-L1272 HydrophobicContact CD1-CB 4.28Å; T1193-L1272 HydrophobicContact CG2-CD1 3.46Å; T1193-L1272 VanDerWaalsContact CG2-CD1 3.46Å; A1268-L1272 WeakPolarHBondContact O-CB 3.36Å; A1268-L1272 VanDerWaalsContact O-CG 3.27Å; A1268-L1272 WeakPolarHBondContact O-CG 3.38Å; A1268-L1272 PolarHBondContact O-N 3.06Å; L1269-L1272 PolarHBondContact O-N 2.7Å; L1272-F1274 PolarHBondContact O-N 2.68Å; L1272-Q1275 PolarHBondContact O-N 3.39Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.47Å; L1272-I1276 PolarHBondContact O-N 3.36Å
1273V90.9Very high89.3Confident17 Ų1735.2 Ų35.210%0.10317%0.17CC..Hα-helixtrans-59.9-46.7175.9169.40000110.9E965 M968 L1269 R1277E965-V1273 HydrophobicContact CB-CG1 4.14Å; E965-V1273 HydrophobicContact CG-CG1 4.04Å; M968-V1273 HydrophobicContact CE-CG1 3.83Å; L1269-V1273 HydrophobicContact CD1-CG2 4.1Å; L1269-V1273 HydrophobicContact CG-CG2 4.45Å; L1269-V1273 WeakPolarHBondContact O-CG2 3.47Å; L1269-V1273 PolarHBondContact O-N 3.35Å; V1273-R1277 PolarHBondContact O-N 3.49Å; V1273-R1277 VanDerWaalsContact O-N 3.1Å
1274F89.9Confident89.3Confident83 Ų8334.3 Ų34.336%0.36416%0.16SC..Hα-helixtrans-65.3-38.8175.6-82.7-63.2000113F962 I969 S1270 F1271 L1272 R1277 I1278F962-F1274 HydrophobicContact CD1-CE1 4.35Å; I969-F1274 HydrophobicContact CD1-CD2 4.27Å; I969-F1274 HydrophobicContact CD1-CE2 3.6Å; I969-F1274 HydrophobicContact CD1-CZ 4.26Å; S1270-F1274 VanDerWaalsContact O-CD2 3.27Å; S1270-F1274 WeakPolarHBondContact O-CD2 3.19Å; S1270-F1274 PolarHBondContact O-N 2.95Å; F1271-F1274 PolarHBondContact O-N 3.3Å; L1272-F1274 PolarHBondContact O-N 2.68Å; F1274-R1277 PolarHBondContact O-N 2.95Å; F1274-I1278 WeakPolarHBondContact O-CG1 3.18Å; F1274-I1278 PolarHBondContact O-N 3.28Å
1275Q91.1Very high89.3Confident3 Ų328.9 Ų28.91%0.01414%0.137CC..Hα-helixtrans-69-35.8179.9-173.157.442.200112.5T1136 W1186 F1271 L1272 I1278 F1279T1136-Q1275 HydrophobicContact CG2-CB 3.67Å; T1136-Q1275 HydrophobicContact CG2-CG 3.94Å; W1186-Q1275 HydrophobicContact CZ3-CG 4.43Å; F1271-Q1275 VanDerWaalsContact O-CB 3.26Å; F1271-Q1275 WeakPolarHBondContact O-CB 3.49Å; F1271-Q1275 PolarHBondContact O-N 2.94Å; L1272-Q1275 PolarHBondContact O-N 3.39Å; Q1275-I1278 WeakPolarHBondContact O-CB 3.44Å; Q1275-I1278 PolarHBondContact O-N 3.1Å; Q1275-F1279 HydrophobicContact CG-CD2 4.4Å; Q1275-F1279 HydrophobicContact CG-CE2 3.77Å; Q1275-F1279 HydrophobicContact CG-CZ 3.83Å; Q1275-F1279 VanDerWaalsContact O-CD2 3.31Å; Q1275-F1279 WeakPolarHBondContact O-CD2 3.3Å; Q1275-F1279 WeakPolarHBondContact O-CG 3.38Å; Q1275-F1279 PolarHBondContact O-N 3.3Å
1276I88.4Confident89.1Confident25 Ų2530 Ų3013%0.12814%0.142CC..Hα-helixtrans-64.5-42.7171-70.8165.1000110.2L1190 L1272 I1278 F1279 H1280L1190-I1276 HydrophobicContact CB-CD1 4.3Å; L1190-I1276 HydrophobicContact CD2-CD1 3.7Å; L1190-I1276 HydrophobicContact CG-CD1 4.5Å; L1272-I1276 WeakPolarHBondContact O-CG1 3.47Å; L1272-I1276 PolarHBondContact O-N 3.36Å; I1276-I1278 VanDerWaalsContact C-N 3.3Å; I1276-I1278 PolarHBondContact O-N 3.15Å; I1276-F1279 PolarHBondContact O-N 2.72Å; I1276-F1279 VanDerWaalsContact O-N 3.17Å; I1276-H1280 PolarHBondContact O-CD2 3.34Å; I1276-H1280 PolarHBondContact O-N 2.91Å; I1276-H1280 VanDerWaalsContact O-N 3.08Å
1277R87.6Confident89Confident62 Ų6229.5 Ų29.523%0.23414%0.139CC..Hα-helixtrans-62.6-35173.7-169.758.2158156.92.8112.7E965 N1093 V1273 F1274 H1280E965-R1277 WeakPolarHBondContact OE1-CD 3Å; E965-R1277 IonicContact OE1-CZ 3.22Å; E965-R1277 IonicContact OE1-NE 2.99Å; E965-R1277 PolarHBondContact OE1-NE 3.27Å; N1093-R1277 PolarHBondContact O-NH1 2.95Å; N1093-R1277 PolarHBondContact O-NH2 3.31Å; V1273-R1277 PolarHBondContact O-N 3.49Å; V1273-R1277 VanDerWaalsContact O-N 3.1Å; F1274-R1277 PolarHBondContact O-N 2.95Å; R1277-H1280 PolarHBondContact O-N 3.46Å
1278I88.7Confident88.7Confident25 Ų2525.6 Ų25.613%0.12812%0.119CC..Hα-helixtrans-62.9-46.1171.6-78.1167.4000111.2V1128 F1129 F1274 Q1275 I1276 H1280 S1281 F1284V1128-I1278 HydrophobicContact CG1-CD1 3.84Å; V1128-I1278 HydrophobicContact CG1-CG1 4.49Å; F1129-I1278 HydrophobicContact CD1-CG1 4.47Å; F1129-I1278 HydrophobicContact CD1-CG2 3.93Å; F1129-I1278 HydrophobicContact CE1-CG1 4.21Å; F1129-I1278 HydrophobicContact CE1-CG2 4.37Å; F1274-I1278 WeakPolarHBondContact O-CG1 3.18Å; F1274-I1278 PolarHBondContact O-N 3.28Å; Q1275-I1278 WeakPolarHBondContact O-CB 3.44Å; Q1275-I1278 PolarHBondContact O-N 3.1Å; I1276-I1278 VanDerWaalsContact C-N 3.3Å; I1276-I1278 PolarHBondContact O-N 3.15Å; I1278-H1280 PolarHBondContact O-N 2.99Å; I1278-S1281 VanDerWaalsContact O-CB 3.24Å; I1278-S1281 WeakPolarHBondContact O-CB 3.5Å; I1278-S1281 PolarHBondContact O-N 3.28Å; I1278-F1284 HydrophobicContact CG2-CD2 4.42Å
1279F87.3Confident88.5Confident0 Ų026.9 Ų26.90%013%0.127CC..Hα-helixtrans-62.6-29.2176.8-67.5-37.7000113.1Y1097 Y1170 F1179 W1186 Q1275 I1276 S1281 F1284Y1097-F1279 PolarHBondContact OH-O 3.23Å; Y1170-F1279 AromaticContact CE1-CE1 3.81Å; Y1170-F1279 HydrophobicContact CE1-CE1 3.81Å; Y1170-F1279 AromaticContact CE1-CZ 3.88Å; Y1170-F1279 HydrophobicContact CE1-CZ 3.88Å; F1179-F1279 HydrophobicContact CZ-CB 4.13Å; F1179-F1279 HydrophobicContact CZ-CD1 4.44Å; F1179-F1279 HydrophobicContact CZ-CG 4.27Å; W1186-F1279 HydrophobicContact CB-CE2 4.46Å; W1186-F1279 AromaticContact CD1-CE2 3.6Å; W1186-F1279 AromaticContact CD2-CE2 3.78Å; W1186-F1279 HydrophobicContact CD2-CE2 3.78Å; W1186-F1279 HydrophobicContact CD2-CZ 4.27Å; W1186-F1279 AromaticContact CE2-CE2 3.75Å; W1186-F1279 AromaticContact CE2-CZ 3.77Å; W1186-F1279 HydrophobicContact CE3-CE2 4.49Å; W1186-F1279 AromaticContact CG-CE2 3.72Å; W1186-F1279 HydrophobicContact CG-CE2 3.72Å; W1186-F1279 HydrophobicContact CG-CZ 4.46Å; W1186-F1279 HydrophobicContact CZ2-CE2 4.46Å; W1186-F1279 HydrophobicContact CZ2-CZ 4.15Å; W1186-F1279 AromaticContact NE1-CE2 3.63Å; W1186-F1279 AromaticContact NE1-CZ 3.61Å; Q1275-F1279 HydrophobicContact CG-CD2 4.4Å; Q1275-F1279 HydrophobicContact CG-CE2 3.77Å; Q1275-F1279 HydrophobicContact CG-CZ 3.83Å; Q1275-F1279 VanDerWaalsContact O-CD2 3.31Å; Q1275-F1279 WeakPolarHBondContact O-CD2 3.3Å; Q1275-F1279 WeakPolarHBondContact O-CG 3.38Å; Q1275-F1279 PolarHBondContact O-N 3.3Å; I1276-F1279 PolarHBondContact O-N 2.72Å; I1276-F1279 VanDerWaalsContact O-N 3.17Å; F1279-S1281 VanDerWaalsContact C-N 3.26Å; F1279-S1281 PolarHBondContact O-N 2.95Å; F1279-F1284 AromaticContact CD1-CD1 3.99Å; F1279-F1284 HydrophobicContact CD1-CD1 3.99Å; F1279-F1284 HydrophobicContact CD1-CD2 4.09Å; F1279-F1284 AromaticContact CD1-CE1 3.68Å; F1279-F1284 HydrophobicContact CD1-CE1 3.68Å; F1279-F1284 AromaticContact CD1-CE2 3.77Å; F1279-F1284 HydrophobicContact CD1-CE2 3.77Å; F1279-F1284 HydrophobicContact CD1-CG 4.2Å; F1279-F1284 AromaticContact CD1-CZ 3.56Å; F1279-F1284 HydrophobicContact CD1-CZ 3.56Å; F1279-F1284 HydrophobicContact CE1-CD2 4.43Å; F1279-F1284 HydrophobicContact CE1-CE1 4.11Å; F1279-F1284 AromaticContact CE1-CE2 3.72Å; F1279-F1284 HydrophobicContact CE1-CE2 3.72Å; F1279-F1284 AromaticContact CE1-CZ 3.54Å; F1279-F1284 HydrophobicContact CE1-CZ 3.54Å
1280H82.6Confident88.2Confident45 Ų4527.4 Ų27.421%0.20813%0.129CC..THydrogen-bonded Turntrans-81.911173.7-75.7-73.2000114.8I1096 Y1097 I1276 R1277 I1278I1096-H1280 VanDerWaalsContact CD1-O 3.23Å; I1096-H1280 WeakPolarHBondContact CD1-O 3.25Å; I1096-H1280 WeakPolarHBondContact CG1-O 3.38Å; Y1097-H1280 AromaticContact CD2-CE1 3.58Å; Y1097-H1280 AromaticContact CD2-ND1 3.19Å; Y1097-H1280 WeakPolarHBondContact CD2-ND1 3.25Å; Y1097-H1280 AromaticContact CE2-ND1 3.42Å; Y1097-H1280 WeakPolarHBondContact CE2-ND1 3.19Å; I1276-H1280 PolarHBondContact O-CD2 3.34Å; I1276-H1280 PolarHBondContact O-N 2.91Å; I1276-H1280 VanDerWaalsContact O-N 3.08Å; R1277-H1280 PolarHBondContact O-N 3.46Å; I1278-H1280 PolarHBondContact O-N 2.99Å
1281S84.2Confident87.9Confident29 Ų2926.3 Ų26.320%0.20312%0.121CC..SBendtrans-107.6146.9-174.1-168.50000114.2I1278 F1279 Y1283 F1284I1278-S1281 VanDerWaalsContact O-CB 3.24Å; I1278-S1281 WeakPolarHBondContact O-CB 3.5Å; I1278-S1281 PolarHBondContact O-N 3.28Å; F1279-S1281 VanDerWaalsContact C-N 3.26Å; F1279-S1281 PolarHBondContact O-N 2.95Å; S1281-Y1283 PolarHBondContact O-N 3.41Å; S1281-Y1283 VanDerWaalsContact O-N 3.13Å; S1281-F1284 PolarHBondContact O-N 3.28Å; S1281-F1284 VanDerWaalsContact O-N 3.09Å
1282W85.3Confident87.5Confident77 Ų7722.3 Ų22.329%0.29210%0.103SC..Hα-helixtrans-59.7-27.1-179-71.5103.4000112.8I1096 K1105 N1108 P1109 Q1110 F1284I1096-W1282 HydrophobicContact CD1-CB 4.11Å; I1096-W1282 HydrophobicContact CD1-CD2 3.56Å; I1096-W1282 HydrophobicContact CD1-CE3 4.23Å; I1096-W1282 HydrophobicContact CD1-CG 3.47Å; I1096-W1282 VanDerWaalsContact CD1-CG 3.47Å; I1096-W1282 HydrophobicContact CD1-CZ2 4.47Å; I1096-W1282 HydrophobicContact CG1-CD2 4.17Å; I1096-W1282 HydrophobicContact CG1-CG 4.35Å; I1096-W1282 HydrophobicContact CG1-CZ2 4.2Å; I1096-W1282 HydrophobicContact CG2-CH2 4.06Å; I1096-W1282 HydrophobicContact CG2-CZ2 4.05Å; I1096-W1282 HydrophobicContact CG2-CZ3 4.31Å; K1105-W1282 HydrophobicContact CD-CH2 4.1Å; K1105-W1282 HydrophobicContact CD-CZ3 4.19Å; N1108-W1282 PolarHBondContact ND2-O 2.84Å; P1109-W1282 HydrophobicContact CG-CD2 4.03Å; P1109-W1282 HydrophobicContact CG-CE3 4.13Å; P1109-W1282 HydrophobicContact CG-CG 4.5Å; P1109-W1282 HydrophobicContact CG-CZ2 4.47Å; P1109-W1282 HydrophobicContact CG-CZ3 4.38Å; Q1110-W1282 HydrophobicContact CG-CB 4.39Å; W1282-F1284 VanDerWaalsContact C-N 3.34Å; W1282-F1284 PolarHBondContact O-N 2.77Å
1283Y88.2Confident87.1Confident25 Ų2522.3 Ų22.310%0.09810%0.103CC..Hα-helixtrans-68.5-29.9178.7-61.3-64000113.4F943 Q1110 F1113 K1125 F1129 S1281 Q1285 H1286F943-Y1283 WeakPolarHBondContact CZ-OH 3.47Å; Q1110-Y1283 HydrophobicContact CB-CD1 4.42Å; Q1110-Y1283 HydrophobicContact CB-CE1 4.01Å; Q1110-Y1283 HydrophobicContact CG-CE1 4.02Å; F1113-Y1283 AromaticContact CD1-CD1 3.9Å; F1113-Y1283 HydrophobicContact CD1-CD1 3.9Å; F1113-Y1283 AromaticContact CE1-CD1 3.72Å; F1113-Y1283 HydrophobicContact CE1-CD1 3.72Å; F1113-Y1283 HydrophobicContact CE1-CG 4.21Å; F1113-Y1283 WeakPolarHBondContact CE1-O 3.44Å; K1125-Y1283 HydrophobicContact CD-CD1 4.43Å; K1125-Y1283 HydrophobicContact CD-CE1 4.09Å; K1125-Y1283 VanDerWaalsContact NZ-CE1 3.32Å; K1125-Y1283 PolarHBondContact NZ-OH 2.97Å; F1129-Y1283 HydrophobicContact CD2-CD2 4.32Å; F1129-Y1283 HydrophobicContact CD2-CG 4.09Å; F1129-Y1283 AromaticContact CE1-CD2 3.93Å; F1129-Y1283 HydrophobicContact CE1-CD2 3.93Å; F1129-Y1283 HydrophobicContact CE1-CG 4.29Å; F1129-Y1283 AromaticContact CE2-CD2 3.58Å; F1129-Y1283 HydrophobicContact CE2-CD2 3.58Å; F1129-Y1283 HydrophobicContact CE2-CE2 4.3Å; F1129-Y1283 AromaticContact CE2-CG 3.8Å; F1129-Y1283 HydrophobicContact CE2-CG 3.8Å; F1129-Y1283 HydrophobicContact CG-CG 4.5Å; F1129-Y1283 AromaticContact CZ-CD2 3.36Å; F1129-Y1283 HydrophobicContact CZ-CD2 3.36Å; F1129-Y1283 HydrophobicContact CZ-CE2 4.19Å; F1129-Y1283 AromaticContact CZ-CG 3.93Å; F1129-Y1283 HydrophobicContact CZ-CG 3.93Å; S1281-Y1283 PolarHBondContact O-N 3.41Å; S1281-Y1283 VanDerWaalsContact O-N 3.13Å; Y1283-Q1285 VanDerWaalsContact C-N 3.31Å; Y1283-Q1285 PolarHBondContact O-N 3.2Å; Y1283-H1286 PolarHBondContact O-N 2.86Å
1284F88.1Confident86.7Confident0 Ų022.4 Ų22.40%010%0.103CC..Hα-helixtrans-71.9-25.1-176.9-173.6-104.5000112.7Y1170 F1179 I1278 F1279 S1281 W1282 H1286 C1287 M1288Y1170-F1284 HydrophobicContact CD1-CE1 4.48Å; Y1170-F1284 AromaticContact CD1-CZ 3.78Å; Y1170-F1284 HydrophobicContact CD1-CZ 3.78Å; Y1170-F1284 HydrophobicContact CE1-CZ 4.18Å; Y1170-F1284 HydrophobicContact CG-CZ 4.29Å; F1179-F1284 AromaticContact CE2-CE1 3.9Å; F1179-F1284 HydrophobicContact CE2-CE1 3.9Å; F1179-F1284 HydrophobicContact CZ-CE1 4.25Å; I1278-F1284 HydrophobicContact CG2-CD2 4.42Å; F1279-F1284 AromaticContact CD1-CD1 3.99Å; F1279-F1284 HydrophobicContact CD1-CD1 3.99Å; F1279-F1284 HydrophobicContact CD1-CD2 4.09Å; F1279-F1284 AromaticContact CD1-CE1 3.68Å; F1279-F1284 HydrophobicContact CD1-CE1 3.68Å; F1279-F1284 AromaticContact CD1-CE2 3.77Å; F1279-F1284 HydrophobicContact CD1-CE2 3.77Å; F1279-F1284 HydrophobicContact CD1-CG 4.2Å; F1279-F1284 AromaticContact CD1-CZ 3.56Å; F1279-F1284 HydrophobicContact CD1-CZ 3.56Å; F1279-F1284 HydrophobicContact CE1-CD2 4.43Å; F1279-F1284 HydrophobicContact CE1-CE1 4.11Å; F1279-F1284 AromaticContact CE1-CE2 3.72Å; F1279-F1284 HydrophobicContact CE1-CE2 3.72Å; F1279-F1284 AromaticContact CE1-CZ 3.54Å; F1279-F1284 HydrophobicContact CE1-CZ 3.54Å; S1281-F1284 PolarHBondContact O-N 3.28Å; S1281-F1284 VanDerWaalsContact O-N 3.09Å; W1282-F1284 VanDerWaalsContact C-N 3.34Å; W1282-F1284 PolarHBondContact O-N 2.77Å; F1284-H1286 VanDerWaalsContact C-N 3.31Å; F1284-H1286 PolarHBondContact O-N 3.25Å; F1284-C1287 HydrophobicContact CD2-CB 4.29Å; F1284-C1287 HydrophobicContact CE2-CB 4.46Å; F1284-C1287 WeakPolarHBondContact O-CB 3.35Å; F1284-C1287 PolarHBondContact O-N 3.07Å; F1284-C1287 VanDerWaalsContact O-N 3.09Å; F1284-M1288 HydrophobicContact CD1-CG 3.99Å; F1284-M1288 HydrophobicContact CD1-SD 3.89Å; F1284-M1288 HydrophobicContact CE1-CG 3.61Å; F1284-M1288 HydrophobicContact CE1-SD 3.68Å; F1284-M1288 HydrophobicContact CZ-CG 4.2Å; F1284-M1288 PolarHBondContact O-N 3.42Å; F1284-M1288 VanDerWaalsContact O-N 3.12Å
1285Q86.8Confident86.2Confident4 Ų421.4 Ų21.42%0.01910%0.103CC..Hα-helixtrans-60.6-38.1175.6-71.5-176.7-31.600112.4Y1283 C1287 M1288 V1289Y1283-Q1285 VanDerWaalsContact C-N 3.31Å; Y1283-Q1285 PolarHBondContact O-N 3.2Å; Q1285-C1287 VanDerWaalsContact C-N 3.32Å; Q1285-C1287 PolarHBondContact O-N 2.89Å; Q1285-M1288 PolarHBondContact O-N 2.92Å; Q1285-V1289 PolarHBondContact O-N 3.45Å
1286H88.1Confident85.7Confident27 Ų2721.4 Ų21.413%0.12510%0.103CC..Hα-helixtrans-63.1-37.5174.4-72.3-49.9000111.9N1108 Q1110 Y1111 F1113 I1114 Y1283 F1284 M1288 V1289 E1290N1108-H1286 PolarHBondContact ND2-NE2 3.4Å; Q1110-H1286 PolarHBondContact O-NE2 2.94Å; Y1111-H1286 PolarHBondContact O-NE2 3.28Å; F1113-H1286 HydrophobicContact CE1-CB 4.17Å; I1114-H1286 HydrophobicContact CD1-CB 4.11Å; Y1283-H1286 PolarHBondContact O-N 2.86Å; F1284-H1286 VanDerWaalsContact C-N 3.31Å; F1284-H1286 PolarHBondContact O-N 3.25Å; H1286-M1288 PolarHBondContact O-N 3.4Å; H1286-V1289 PolarHBondContact O-N 3.49Å; H1286-E1290 PolarHBondContact O-N 3.34Å; H1286-E1290 VanDerWaalsContact O-N 3.11Å
1287C88.4Confident85.4Confident0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-64.6-37.4174.5-57.50000112.4I1114 F1284 Q1285 E1290 Y1291I1114-C1287 HydrophobicContact CD1-CB 4.4Å; F1284-C1287 HydrophobicContact CD2-CB 4.29Å; F1284-C1287 HydrophobicContact CE2-CB 4.46Å; F1284-C1287 WeakPolarHBondContact O-CB 3.35Å; F1284-C1287 PolarHBondContact O-N 3.07Å; F1284-C1287 VanDerWaalsContact O-N 3.09Å; Q1285-C1287 VanDerWaalsContact C-N 3.32Å; Q1285-C1287 PolarHBondContact O-N 2.89Å; C1287-E1290 PolarHBondContact O-N 2.98Å; C1287-Y1291 HydrophobicContact CB-CE2 4.21Å; C1287-Y1291 WeakPolarHBondContact O-CD2 3.48Å; C1287-Y1291 PolarHBondContact O-N 2.84Å
1288M85.5Confident84.8Confident1 Ų119 Ų191%0.00510%0.1CC..Hα-helixtrans-66.7-38.8177.2-65.6178.669.900112.8F1102 I1104 M1172 F1179 F1284 Q1285 H1286 E1290 Y1291 R1292F1102-M1288 HydrophobicContact CE1-CE 3.85Å; F1102-M1288 HydrophobicContact CE1-SD 3.86Å; F1102-M1288 HydrophobicContact CZ-CE 4.04Å; F1102-M1288 HydrophobicContact CZ-SD 3.57Å; F1102-M1288 VanDerWaalsContact CZ-SD 3.57Å; I1104-M1288 HydrophobicContact CD1-CE 4.44Å; M1172-M1288 HydrophobicContact CE-CE 4.37Å; M1172-M1288 HydrophobicContact CG-CE 3.67Å; M1172-M1288 HydrophobicContact SD-CE 3.47Å; M1172-M1288 WeakPolarHBondContact SD-CE 3.4Å; F1179-M1288 HydrophobicContact CD2-CE 3.89Å; F1179-M1288 HydrophobicContact CD2-SD 4.4Å; F1179-M1288 HydrophobicContact CE2-CE 4.42Å; F1179-M1288 HydrophobicContact CE2-SD 4.4Å; F1284-M1288 HydrophobicContact CD1-CG 3.99Å; F1284-M1288 HydrophobicContact CD1-SD 3.89Å; F1284-M1288 HydrophobicContact CE1-CG 3.61Å; F1284-M1288 HydrophobicContact CE1-SD 3.68Å; F1284-M1288 HydrophobicContact CZ-CG 4.2Å; F1284-M1288 PolarHBondContact O-N 3.42Å; F1284-M1288 VanDerWaalsContact O-N 3.12Å; Q1285-M1288 PolarHBondContact O-N 2.92Å; H1286-M1288 PolarHBondContact O-N 3.4Å; M1288-E1290 VanDerWaalsContact C-N 3.3Å; M1288-Y1291 PolarHBondContact O-N 3.48Å; M1288-R1292 WeakPolarHBondContact O-CG 3.31Å; M1288-R1292 PolarHBondContact O-N 2.82Å
1289V86.3Confident84.2Confident27 Ų2721.1 Ų21.116%0.16411%0.111CC..Hα-helixtrans-64.5-38173.8176.20000110.7I1104 Q1285 H1286 R1292 S1293 K1509 L1516I1104-V1289 HydrophobicContact CG2-CG2 4.42Å; Q1285-V1289 PolarHBondContact O-N 3.45Å; H1286-V1289 PolarHBondContact O-N 3.49Å; V1289-R1292 PolarHBondContact O-N 3.1Å; V1289-S1293 PolarHBondContact O-N 2.83Å; V1289-K1509 HydrophobicContact CG1-CG 4.31Å; V1289-L1516 HydrophobicContact CG1-CB 4.38Å; V1289-L1516 HydrophobicContact CG1-CD1 4.26Å
1290E87.8Confident84Confident14 Ų1421.8 Ų21.87%0.06511%0.114CC..Hα-helixtrans-65.9-42.2176-178.461.5-179.600113.1I1114 H1286 C1287 M1288 R1292 S1293 E1294 K1505 K1509I1114-E1290 HydrophobicContact CD1-CB 4.26Å; I1114-E1290 HydrophobicContact CG2-CG 4.44Å; H1286-E1290 PolarHBondContact O-N 3.34Å; H1286-E1290 VanDerWaalsContact O-N 3.11Å; C1287-E1290 PolarHBondContact O-N 2.98Å; M1288-E1290 VanDerWaalsContact C-N 3.3Å; E1290-R1292 PolarHBondContact O-N 3.16Å; E1290-S1293 PolarHBondContact O-N 3.47Å; E1290-S1293 VanDerWaalsContact O-N 3.12Å; E1290-S1293 PolarHBondContact O-OG 2.91Å; E1290-S1293 PolarHBondContact OE2-OG 3.22Å; E1290-E1294 PolarHBondContact O-N 2.98Å; E1290-K1505 WeakPolarHBondContact OE1-CD 3.17Å; E1290-K1505 WeakPolarHBondContact OE1-CE 3.45Å; E1290-K1505 IonicContact OE1-NZ 3.91Å; E1290-K1505 PolarHBondContact OE1-NZ 3.25Å; E1290-K1509 WeakPolarHBondContact OE2-CE 3.21Å; E1290-K1509 IonicContact OE2-NZ 3.07Å; E1290-K1509 PolarHBondContact OE2-NZ 3.4Å
1291Y84.9Confident84Confident3 Ų319.7 Ų19.71%0.01210%0.104CC..Hα-helixtrans-64-29.7174.5-58.7-46.4000112.8H1130 H1133 N1167 Y1170 C1287 M1288 V1295H1130-Y1291 AromaticContact CE1-CE1 3.41Å; H1130-Y1291 VanDerWaalsContact CE1-CE1 3.41Å; H1130-Y1291 WeakPolarHBondContact CE1-CE1 3.48Å; H1130-Y1291 AromaticContact CE1-CZ 3.87Å; H1130-Y1291 AromaticContact ND1-CE1 3.76Å; H1130-Y1291 AromaticContact ND1-CZ 3.72Å; H1130-Y1291 PolarHBondContact ND1-OH 2.96Å; H1130-Y1291 PolarHBondContact O-OH 3.38Å; H1133-Y1291 PolarHBondContact CE1-OH 3Å; H1133-Y1291 VanDerWaalsContact CE1-OH 3.27Å; N1167-Y1291 HydrophobicContact CB-CD1 4.18Å; Y1170-Y1291 HydrophobicContact CD2-CD2 4.29Å; Y1170-Y1291 AromaticContact CD2-CE2 3.99Å; Y1170-Y1291 HydrophobicContact CD2-CE2 3.99Å; Y1170-Y1291 HydrophobicContact CG-CD2 4.31Å; Y1170-Y1291 HydrophobicContact CG-CE2 4.21Å; C1287-Y1291 HydrophobicContact CB-CE2 4.21Å; C1287-Y1291 WeakPolarHBondContact O-CD2 3.48Å; C1287-Y1291 PolarHBondContact O-N 2.84Å; M1288-Y1291 PolarHBondContact O-N 3.48Å; Y1291-V1295 PolarHBondContact O-N 2.79Å
1292R84.8Confident83.7Confident2 Ų218.4 Ų18.41%0.00810%0.095CC..Hα-helixtrans-71.4-37.3172.4-68.8171.275.386.2-4.9111.7V1171 M1172 M1288 V1289 E1290 I1296 L1516 N1518 L1523V1171-R1292 HydrophobicContact CG1-CG 4.43Å; M1172-R1292 PolarHBondContact O-NH1 2.6Å; M1288-R1292 WeakPolarHBondContact O-CG 3.31Å; M1288-R1292 PolarHBondContact O-N 2.82Å; V1289-R1292 PolarHBondContact O-N 3.1Å; E1290-R1292 PolarHBondContact O-N 3.16Å; R1292-I1296 WeakPolarHBondContact O-CG1 3.27Å; R1292-I1296 PolarHBondContact O-N 3.39Å; R1292-L1516 HydrophobicContact CB-CD2 4.43Å; R1292-L1516 PolarHBondContact NE-O 2.87Å; R1292-N1518 PolarHBondContact NH2-O 3.2Å; R1292-L1523 HydrophobicContact CB-CD2 4.48Å
1293S85Confident83.4Confident0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-63.4-41176.289.90000111.7V1289 E1290 I1296 L1297V1289-S1293 PolarHBondContact O-N 2.83Å; E1290-S1293 PolarHBondContact O-N 3.47Å; E1290-S1293 VanDerWaalsContact O-N 3.12Å; E1290-S1293 PolarHBondContact O-OG 2.91Å; E1290-S1293 PolarHBondContact OE2-OG 3.22Å; S1293-I1296 PolarHBondContact O-N 2.84Å; S1293-L1297 PolarHBondContact O-N 2.89Å; S1293-L1297 VanDerWaalsContact O-N 3.15Å
1294E82.4Confident83.2Confident19 Ų1915.4 Ų15.49%0.0899%0.088CC..Hα-helixtrans-61.6-43.6178.1-75.4-169152.900113.5E1290 I1296 A1298 K1505 K1691E1290-E1294 PolarHBondContact O-N 2.98Å; E1294-I1296 VanDerWaalsContact C-N 3.33Å; E1294-I1296 PolarHBondContact O-N 3.28Å; E1294-A1298 PolarHBondContact O-N 2.9Å; E1294-K1505 IonicContact OE1-NZ 3.42Å; E1294-K1505 PolarHBondContact OE1-NZ 3.42Å; E1294-K1691 WeakPolarHBondContact OE1-CE 3.4Å
1295V78.8Confident82.8Confident62 Ų6218.8 Ų18.838%0.37610%0.102SC..Hα-helixtrans-67.7-34.5179.61740000111.7V1171 Y1291 L1523V1171-V1295 HydrophobicContact CG2-CG2 4.02Å; Y1291-V1295 PolarHBondContact O-N 2.79Å; V1295-L1523 HydrophobicContact CB-CD2 3.83Å; V1295-L1523 HydrophobicContact CG1-CD2 3.72Å
1296I81.4Confident82.3Confident3 Ų320.3 Ų20.32%0.01511%0.111CC..Hα-helixtrans-69.5-44.5179-68.6166.3000111R1292 S1293 E1294 L1508 L1516 I1526 R1527R1292-I1296 WeakPolarHBondContact O-CG1 3.27Å; R1292-I1296 PolarHBondContact O-N 3.39Å; S1293-I1296 PolarHBondContact O-N 2.84Å; E1294-I1296 VanDerWaalsContact C-N 3.33Å; E1294-I1296 PolarHBondContact O-N 3.28Å; I1296-L1508 HydrophobicContact CB-CD2 4.08Å; I1296-L1508 HydrophobicContact CD1-CD2 4.35Å; I1296-L1508 HydrophobicContact CG2-CD2 3.84Å; I1296-L1516 HydrophobicContact CD1-CD2 3.56Å; I1296-I1526 HydrophobicContact CD1-CG2 3.87Å; I1296-R1527 PolarHBondContact O-NH1 2.94Å
1297L82Confident82.1Confident7 Ų719.5 Ų19.54%0.03711%0.107CC..Hα-helixtrans-86.8-0-175.3-76.6164.7000115S1293 N1299 R1300 E1504 K1505 L1508S1293-L1297 PolarHBondContact O-N 2.89Å; S1293-L1297 VanDerWaalsContact O-N 3.15Å; L1297-N1299 PolarHBondContact O-N 3.42Å; L1297-R1300 VanDerWaalsContact O-CB 3.32Å; L1297-R1300 WeakPolarHBondContact O-CB 3.33Å; L1297-R1300 PolarHBondContact O-N 3.48Å; L1297-E1504 HydrophobicContact CD1-CB 4.36Å; L1297-E1504 HydrophobicContact CD2-CB 4.45Å; L1297-K1505 HydrophobicContact CD1-CB 4.17Å; L1297-K1505 HydrophobicContact CD1-CG 3.56Å; L1297-L1508 HydrophobicContact CD1-CD2 3.96Å; L1297-L1508 HydrophobicContact CG-CD2 4.14Å
1298A73.6Confident81.7Confident30 Ų3019.7 Ų19.725%0.24811%0.108CC..THydrogen-bonded Turntrans-36.9-66.6-170.500000114.6E1294 R1300 G1693E1294-A1298 PolarHBondContact O-N 2.9Å; A1298-R1300 PolarHBondContact O-N 3.46Å; A1298-G1693 WeakPolarHBondContact O-CA 3.27Å; A1298-G1693 PolarHBondContact O-N 2.82Å
1299N76.9Confident81.2Confident69 Ų6922 Ų2237%0.36912%0.12SC..THydrogen-bonded Turntrans-60.4-14-172.470.6-51.5000116.5L1297 A1302 R1527L1297-N1299 PolarHBondContact O-N 3.42Å; N1299-A1302 PolarHBondContact O-N 3.39Å; N1299-R1527 VanDerWaalsContact CG-NH2 3.29Å; N1299-R1527 PolarHBondContact ND2-NH2 2.95Å; N1299-R1527 PolarHBondContact OD1-NH1 2.92Å; N1299-R1527 PolarHBondContact OD1-NH2 3.4Å
1300R83Confident80.7Confident14 Ų1421.6 Ų21.65%0.05312%0.116CC..Hα-helixtrans-71.8-35.3-169.5-179.750.4173.5168.61.6113.6L1297 A1298 A1302 V1303 L1304 L1501 E1504 V1538L1297-R1300 VanDerWaalsContact O-CB 3.32Å; L1297-R1300 WeakPolarHBondContact O-CB 3.33Å; L1297-R1300 PolarHBondContact O-N 3.48Å; A1298-R1300 PolarHBondContact O-N 3.46Å; R1300-A1302 VanDerWaalsContact C-N 3.29Å; R1300-A1302 PolarHBondContact O-N 2.96Å; R1300-V1303 PolarHBondContact O-N 2.83Å; R1300-L1304 HydrophobicContact CG-CD1 4.31Å; R1300-L1304 WeakPolarHBondContact O-CG 3.31Å; R1300-L1304 PolarHBondContact O-N 3.32Å; R1300-L1304 VanDerWaalsContact O-N 3.09Å; R1300-L1501 HydrophobicContact CB-CD2 3.97Å; R1300-L1501 HydrophobicContact CG-CD2 3.96Å; R1300-E1504 WeakPolarHBondContact CG-OE2 3.4Å; R1300-E1504 IonicContact CZ-OE1 2.72Å; R1300-E1504 IonicContact NE-OE1 3.53Å; R1300-E1504 PolarHBondContact NE-OE1 3.27Å; R1300-E1504 VanDerWaalsContact NE-OE1 3.11Å; R1300-E1504 IonicContact NE-OE2 3.17Å; R1300-E1504 PolarHBondContact NE-OE2 2.73Å; R1300-E1504 IonicContact NH2-OE1 2.76Å; R1300-E1504 PolarHBondContact NH2-OE1 2.79Å; R1300-V1538 PolarHBondContact NH1-O 3.48Å; R1300-V1538 PolarHBondContact NH2-O 2.86Å
1301G82.6Confident80.4Confident1 Ų122.5 Ų22.51%0.0112%0.12CC..Hα-helixtrans-65.9-30.6177.900000113.7K1305 L1692G1301-K1305 PolarHBondContact O-N 2.76Å; G1301-L1692 CarbonylContact C-O 3.6Å; G1301-L1692 WeakPolarHBondContact CA-O 3.22Å
1302A77.3Confident79.9Confident1 Ų123.6 Ų23.61%0.00813%0.125CC..Hα-helixtrans-66.9-40.8173.600000112.1N1299 R1300 K1305 N1306 L1692 L1694 A1698N1299-A1302 PolarHBondContact O-N 3.39Å; R1300-A1302 VanDerWaalsContact C-N 3.29Å; R1300-A1302 PolarHBondContact O-N 2.96Å; A1302-K1305 PolarHBondContact O-N 3.34Å; A1302-N1306 PolarHBondContact O-N 3.25Å; A1302-N1306 PolarHBondContact O-OD1 2.84Å; A1302-L1692 PolarHBondContact N-O 2.77Å; A1302-L1694 HydrophobicContact CB-CD2 3.82Å; A1302-A1698 HydrophobicContact CB-CB 4.49Å
1303V79.1Confident79.3Confident39 Ų3925.9 Ų25.924%0.23614%0.136CC..Hα-helixtrans-62.9-47.9175.3176.90000110.6R1300 K1305 N1306 Q1307 T1703R1300-V1303 PolarHBondContact O-N 2.83Å; V1303-K1305 VanDerWaalsContact C-N 3.34Å; V1303-K1305 PolarHBondContact O-N 2.85Å; V1303-N1306 PolarHBondContact O-N 2.97Å; V1303-Q1307 HydrophobicContact CG1-CG 4.49Å; V1303-Q1307 WeakPolarHBondContact O-CG 3.07Å; V1303-Q1307 PolarHBondContact O-N 3.26Å; V1303-T1703 HydrophobicContact CG1-CG2 4.25Å
1304L84.6Confident79Confident1 Ų130.9 Ų30.91%0.00516%0.158CC..Hα-helixtrans-61-39.2178.9-67.8168.8000112.6R1300 L1308 V1497 V1500 L1501 V1538R1300-L1304 HydrophobicContact CG-CD1 4.31Å; R1300-L1304 WeakPolarHBondContact O-CG 3.31Å; R1300-L1304 PolarHBondContact O-N 3.32Å; R1300-L1304 VanDerWaalsContact O-N 3.09Å; L1304-L1308 PolarHBondContact O-N 3.49Å; L1304-V1497 HydrophobicContact CB-CG1 4.42Å; L1304-V1497 HydrophobicContact CB-CG2 4Å; L1304-V1497 HydrophobicContact CD1-CG1 4.33Å; L1304-V1500 HydrophobicContact CD1-CB 3.92Å; L1304-V1500 HydrophobicContact CD1-CG1 3.59Å; L1304-V1500 HydrophobicContact CD2-CG1 4.19Å; L1304-L1501 HydrophobicContact CD1-CG 4.49Å; L1304-V1538 HydrophobicContact CD2-CB 3.82Å; L1304-V1538 HydrophobicContact CD2-CG1 4.15Å; L1304-V1538 HydrophobicContact CD2-CG2 4.02Å
1305K80.4Confident78.6Confident71 Ų7132.2 Ų32.231%0.30916%0.164SC..Hα-helixtrans-68.9-40.6176.3-179.5160.3174.9141.80112.3G1301 A1302 V1303 L1308 I1309 E1493G1301-K1305 PolarHBondContact O-N 2.76Å; A1302-K1305 PolarHBondContact O-N 3.34Å; V1303-K1305 VanDerWaalsContact C-N 3.34Å; V1303-K1305 PolarHBondContact O-N 2.85Å; K1305-L1308 PolarHBondContact O-N 2.89Å; K1305-I1309 HydrophobicContact CG-CD1 3.93Å; K1305-I1309 WeakPolarHBondContact O-CG1 3.37Å; K1305-I1309 PolarHBondContact O-N 3.32Å; K1305-E1493 VanDerWaalsContact CE-OE2 3.26Å; K1305-E1493 WeakPolarHBondContact CE-OE2 3.44Å; K1305-E1493 IonicContact NZ-OE2 2.84Å; K1305-E1493 PolarHBondContact NZ-OE2 2.8Å
1306N76.5Confident78.2Confident35 Ų3529.8 Ų29.819%0.18715%0.149CC..Hα-helixtrans-64.1-42.6176.4-73.95.3000111.7A1302 V1303 L1308 I1309 E1310 T1703A1302-N1306 PolarHBondContact O-N 3.25Å; A1302-N1306 PolarHBondContact O-OD1 2.84Å; V1303-N1306 PolarHBondContact O-N 2.97Å; N1306-L1308 VanDerWaalsContact C-N 3.27Å; N1306-L1308 PolarHBondContact O-N 2.88Å; N1306-I1309 PolarHBondContact O-N 3.01Å; N1306-E1310 WeakPolarHBondContact O-CB 3.46Å; N1306-E1310 PolarHBondContact O-N 3.38Å; N1306-T1703 HydrophobicContact CB-CG2 3.85Å
1307Q82.2Confident77.9Confident10 Ų1032.2 Ų32.25%0.04716%0.162CC..Hα-helixtrans-56.8-39.6174.4-76.7176.2-32.100112.4V1303 K1311 T1703 F1704V1303-Q1307 HydrophobicContact CG1-CG 4.49Å; V1303-Q1307 WeakPolarHBondContact O-CG 3.07Å; V1303-Q1307 PolarHBondContact O-N 3.26Å; Q1307-K1311 PolarHBondContact O-N 3.37Å; Q1307-T1703 HydrophobicContact CG-CG2 4.06Å; Q1307-T1703 PolarHBondContact NE2-O 2.71Å; Q1307-T1703 VanDerWaalsContact NE2-O 3.15Å; Q1307-F1704 HydrophobicContact CB-CE1 4.24Å; Q1307-F1704 HydrophobicContact CB-CE2 4.08Å; Q1307-F1704 HydrophobicContact CB-CZ 3.65Å; Q1307-F1704 HydrophobicContact CG-CE1 4.06Å; Q1307-F1704 HydrophobicContact CG-CE2 4.21Å; Q1307-F1704 HydrophobicContact CG-CZ 3.88Å; Q1307-F1704 WeakPolarHBondContact O-CE2 3.49Å
1308L80.7Confident77.7Confident4 Ų438.3 Ų38.32%0.02119%0.19CC..Hα-helixtrans-70.2-44.1177.7-170.262.3000112.4L1304 K1305 N1306 E1310 K1311 E1312 E1493 V1544L1304-L1308 PolarHBondContact O-N 3.49Å; K1305-L1308 PolarHBondContact O-N 2.89Å; N1306-L1308 VanDerWaalsContact C-N 3.27Å; N1306-L1308 PolarHBondContact O-N 2.88Å; L1308-E1310 VanDerWaalsContact C-N 3.32Å; L1308-E1310 PolarHBondContact O-N 3.28Å; L1308-K1311 PolarHBondContact O-N 2.72Å; L1308-E1312 PolarHBondContact O-N 2.85Å; L1308-E1493 HydrophobicContact CD2-CB 3.88Å; L1308-E1493 HydrophobicContact CD2-CG 3.75Å; L1308-V1544 HydrophobicContact CD1-CG1 4.15Å
1309I75.3Confident77.5Confident50 Ų5040.7 Ų40.726%0.25620%0.196SC..Hα-helixtrans-62.4-40176.5-67.2166.3000111.2K1305 N1306 E1312 M1313K1305-I1309 HydrophobicContact CG-CD1 3.93Å; K1305-I1309 WeakPolarHBondContact O-CG1 3.37Å; K1305-I1309 PolarHBondContact O-N 3.32Å; N1306-I1309 PolarHBondContact O-N 3.01Å; I1309-E1312 PolarHBondContact O-N 3.24Å; I1309-M1313 PolarHBondContact O-N 2.86Å
1310E76.2Confident77Confident19 Ų1939.7 Ų39.79%0.08919%0.189CC..Hα-helixtrans-65.5-38.4178.9-162.8-166.9138.200111.9N1306 L1308 K1314 T1703 F1704 F1787N1306-E1310 WeakPolarHBondContact O-CB 3.46Å; N1306-E1310 PolarHBondContact O-N 3.38Å; L1308-E1310 VanDerWaalsContact C-N 3.32Å; L1308-E1310 PolarHBondContact O-N 3.28Å; E1310-K1314 WeakPolarHBondContact O-CG 3.27Å; E1310-K1314 PolarHBondContact O-N 3.39Å; E1310-K1314 IonicContact OE1-NZ 3.46Å; E1310-K1314 PolarHBondContact OE1-NZ 2.74Å; E1310-T1703 PolarHBondContact OE2-N 2.75Å; E1310-T1703 PolarHBondContact OE2-OG1 3.45Å; E1310-F1704 HydrophobicContact CB-CE2 4.28Å; E1310-F1787 HydrophobicContact CG-CE1 4.3Å
1311K80Confident76.6Confident33 Ų3346.1 Ų46.114%0.14322%0.218CC..Hα-helixtrans-61.6-53.7172177.5-178169.5-176.80111.1Q1307 L1308 M1313 K1314 E1315 E1548Q1307-K1311 PolarHBondContact O-N 3.37Å; L1308-K1311 PolarHBondContact O-N 2.72Å; K1311-M1313 VanDerWaalsContact C-N 3.34Å; K1311-M1313 PolarHBondContact O-N 2.92Å; K1311-K1314 PolarHBondContact O-N 3.47Å; K1311-E1315 WeakPolarHBondContact CE-OE1 3.37Å; K1311-E1315 WeakPolarHBondContact CG-OE1 3.41Å; K1311-E1315 IonicContact NZ-OE1 2.69Å; K1311-E1315 PolarHBondContact O-N 2.99Å; K1311-E1315 VanDerWaalsContact O-N 3.14Å; K1311-E1548 IonicContact NZ-OE2 3.85Å
1312E74.7Confident76.4Confident25 Ų2548.9 Ų48.912%0.11724%0.24CC..Hα-helixtrans-61.2-38.1-177.4-70.6-177-179.900113L1308 I1309 Q1316 R1492L1308-E1312 PolarHBondContact O-N 2.85Å; I1309-E1312 PolarHBondContact O-N 3.24Å; E1312-Q1316 WeakPolarHBondContact O-CG 3.23Å; E1312-Q1316 PolarHBondContact O-N 2.77Å; E1312-R1492 IonicContact OE1-CZ 2.66Å; E1312-R1492 IonicContact OE1-NH2 3.27Å; E1312-R1492 PolarHBondContact OE1-NH2 2.94Å
1313M73.6Confident75.8Confident50 Ų5051.1 Ų51.125%0.24625%0.25CC..Hα-helixtrans-65.6-39.4176.5176.1-179.3157.800112.5I1309 K1311 N1317 F1787I1309-M1313 PolarHBondContact O-N 2.86Å; K1311-M1313 VanDerWaalsContact C-N 3.34Å; K1311-M1313 PolarHBondContact O-N 2.92Å; M1313-N1317 WeakPolarHBondContact CG-ND2 3.23Å; M1313-N1317 PolarHBondContact O-N 2.89Å; M1313-N1317 VanDerWaalsContact O-N 3.11Å; M1313-N1317 PolarHBondContact O-ND2 3.49Å; M1313-F1787 HydrophobicContact SD-CB 3.91Å; M1313-F1787 HydrophobicContact SD-CD1 3.67Å; M1313-F1787 HydrophobicContact SD-CG 4.26Å
1314K78.1Confident75.5Confident105 Ų10554 Ų5446%0.45726%0.259SS..Hα-helixtrans-63-50.4177.5-76.3167.8171.3168.60110.2E1310 K1311 Q1316 N1317 E1318E1310-K1314 WeakPolarHBondContact O-CG 3.27Å; E1310-K1314 PolarHBondContact O-N 3.39Å; E1310-K1314 IonicContact OE1-NZ 3.46Å; E1310-K1314 PolarHBondContact OE1-NZ 2.74Å; K1311-K1314 PolarHBondContact O-N 3.47Å; K1314-Q1316 PolarHBondContact O-N 3.01Å; K1314-N1317 PolarHBondContact O-N 3.03Å; K1314-E1318 WeakPolarHBondContact O-CG 3.47Å; K1314-E1318 PolarHBondContact O-N 3.23Å
1315E74.4Confident75.2Confident48 Ų4858.7 Ų58.722%0.22428%0.284CS..Hα-helixtrans-56.9-43.9176.6-68.4172.8-174.400112.7K1311 Q1319K1311-E1315 WeakPolarHBondContact CE-OE1 3.37Å; K1311-E1315 WeakPolarHBondContact CG-OE1 3.41Å; K1311-E1315 IonicContact NZ-OE1 2.69Å; K1311-E1315 PolarHBondContact O-N 2.99Å; K1311-E1315 VanDerWaalsContact O-N 3.14Å; E1315-Q1319 WeakPolarHBondContact O-CB 3.15Å; E1315-Q1319 VanDerWaalsContact O-CG 3.32Å; E1315-Q1319 WeakPolarHBondContact O-CG 3.36Å; E1315-Q1319 PolarHBondContact O-N 3.07Å
1316Q70.7Confident74.8Confident11 Ų1158 Ų585%0.05128%0.284CS..Hα-helixtrans-64.2-44.9178-79.4-174-3.200113.3E1312 K1314 Q1319 Q1320 P1386 Y1789E1312-Q1316 WeakPolarHBondContact O-CG 3.23Å; E1312-Q1316 PolarHBondContact O-N 2.77Å; K1314-Q1316 PolarHBondContact O-N 3.01Å; Q1316-Q1319 PolarHBondContact O-N 2.93Å; Q1316-Q1320 WeakPolarHBondContact O-CG 3.11Å; Q1316-Q1320 PolarHBondContact O-N 3.03Å; Q1316-P1386 HydrophobicContact CG-CG 3.63Å; Q1316-Y1789 VanDerWaalsContact NE2-CZ 3.29Å
1317N74.6Confident74.5Confident54 Ų5457.3 Ų57.329%0.28928%0.28SS..Hα-helixtrans-67.2-37.2-178.9-74.5-38.1000112M1313 K1314 K1321M1313-N1317 WeakPolarHBondContact CG-ND2 3.23Å; M1313-N1317 PolarHBondContact O-N 2.89Å; M1313-N1317 VanDerWaalsContact O-N 3.11Å; M1313-N1317 PolarHBondContact O-ND2 3.49Å; K1314-N1317 PolarHBondContact O-N 3.03Å; N1317-K1321 WeakPolarHBondContact O-CG 3.38Å; N1317-K1321 PolarHBondContact O-N 2.98Å; N1317-K1321 VanDerWaalsContact O-N 3.11Å
1318E76.9Confident74.3Confident134 Ų13463.9 Ų63.963%0.62631%0.305SS*.Hα-helixtrans-63.9-45.9173.6-72.9171.3-169.300111.3K1314 Q1320 K1321 A1322K1314-E1318 WeakPolarHBondContact O-CG 3.47Å; K1314-E1318 PolarHBondContact O-N 3.23Å; E1318-Q1320 PolarHBondContact O-N 2.84Å; E1318-K1321 PolarHBondContact O-N 3.24Å; E1318-A1322 WeakPolarHBondContact O-CB 3.09Å; E1318-A1322 PolarHBondContact O-N 3.43Å
1319Q69.1Low74.2Confident81 Ų8172.7 Ų72.738%0.37934%0.337SS..Hα-helixtrans-65.7-37.5177.7-72.8-178.719.700113.6E1315 Q1316 A1322 K1323 P1386E1315-Q1319 WeakPolarHBondContact O-CB 3.15Å; E1315-Q1319 VanDerWaalsContact O-CG 3.32Å; E1315-Q1319 WeakPolarHBondContact O-CG 3.36Å; E1315-Q1319 PolarHBondContact O-N 3.07Å; Q1316-Q1319 PolarHBondContact O-N 2.93Å; Q1319-A1322 PolarHBondContact O-N 3.13Å; Q1319-K1323 WeakPolarHBondContact O-CB 3.31Å; Q1319-K1323 WeakPolarHBondContact O-CG 3.11Å; Q1319-K1323 PolarHBondContact O-N 2.79Å; Q1319-P1386 VanDerWaalsContact OE1-CB 3.32Å
1320Q66.8Low74Confident47 Ų4773.3 Ų73.322%0.2234%0.336CS..Hα-helixtrans-66.1-45175.4-75.6-171.4-0.200111.9Q1316 E1318 A1322 K1323 F1324 I1790Q1316-Q1320 WeakPolarHBondContact O-CG 3.11Å; Q1316-Q1320 PolarHBondContact O-N 3.03Å; E1318-Q1320 PolarHBondContact O-N 2.84Å; Q1320-A1322 VanDerWaalsContact C-N 3.33Å; Q1320-A1322 PolarHBondContact O-N 3.44Å; Q1320-K1323 PolarHBondContact O-N 3.2Å; Q1320-F1324 WeakPolarHBondContact O-CB 3.46Å; Q1320-F1324 PolarHBondContact O-N 3.04Å; Q1320-I1790 VanDerWaalsContact OE1-CD1 3.23Å
1321K75.9Confident74Confident150 Ų15073 Ų7365%0.65234%0.336SS*.Hα-helixtrans-60.8-42.2173.8-73.3177.4178.5-177.70111.8N1317 E1318 F1324 N1325N1317-K1321 WeakPolarHBondContact O-CG 3.38Å; N1317-K1321 PolarHBondContact O-N 2.98Å; N1317-K1321 VanDerWaalsContact O-N 3.11Å; E1318-K1321 PolarHBondContact O-N 3.24Å; K1321-F1324 PolarHBondContact O-N 3.03Å; K1321-N1325 WeakPolarHBondContact O-CB 3.49Å; K1321-N1325 VanDerWaalsContact O-CG 3.22Å; K1321-N1325 PolarHBondContact O-N 2.88Å; K1321-N1325 PolarHBondContact O-ND2 3.45Å
1322A76.7Confident74Confident58 Ų5876 Ų7648%0.47935%0.351SS..Hα-helixtrans-61.5-4817600000111.9E1318 Q1319 Q1320 N1325 D1326E1318-A1322 WeakPolarHBondContact O-CB 3.09Å; E1318-A1322 PolarHBondContact O-N 3.43Å; Q1319-A1322 PolarHBondContact O-N 3.13Å; Q1320-A1322 VanDerWaalsContact C-N 3.33Å; Q1320-A1322 PolarHBondContact O-N 3.44Å; A1322-N1325 PolarHBondContact O-N 3.26Å; A1322-D1326 VanDerWaalsContact O-CB 3.31Å; A1322-D1326 WeakPolarHBondContact O-CB 3.31Å; A1322-D1326 PolarHBondContact O-N 3.31Å
1323K66.4Low74.3Confident49 Ų4976 Ų7621%0.21336%0.355CS..Hα-helixtrans-62.4-43.5176.4-77.1179.7173.8-177.70112.1Q1319 Q1320 D1326 I1327 V1381 D1382 S1383Q1319-K1323 WeakPolarHBondContact O-CB 3.31Å; Q1319-K1323 WeakPolarHBondContact O-CG 3.11Å; Q1319-K1323 PolarHBondContact O-N 2.79Å; Q1320-K1323 PolarHBondContact O-N 3.2Å; K1323-D1326 PolarHBondContact O-N 2.83Å; K1323-I1327 WeakPolarHBondContact O-CB 3.02Å; K1323-I1327 VanDerWaalsContact O-CD1 3.28Å; K1323-I1327 WeakPolarHBondContact O-CD1 3.27Å; K1323-I1327 WeakPolarHBondContact O-CG1 2.99Å; K1323-I1327 PolarHBondContact O-N 2.63Å; K1323-V1381 HydrophobicContact CD-CG1 3.93Å; K1323-D1382 PolarHBondContact NZ-O 3.01Å; K1323-S1383 PolarHBondContact NZ-O 2.91Å
1324F71.2Confident74.2Confident100 Ų10074.5 Ų74.544%0.43935%0.348SS..Hα-helixtrans-61.4-45.6177.3-176-92.5000112Q1320 K1321 D1326 I1327 R1328 L1920Q1320-F1324 WeakPolarHBondContact O-CB 3.46Å; Q1320-F1324 PolarHBondContact O-N 3.04Å; K1321-F1324 PolarHBondContact O-N 3.03Å; F1324-D1326 VanDerWaalsContact C-N 3.34Å; F1324-D1326 PolarHBondContact O-N 2.9Å; F1324-I1327 PolarHBondContact O-N 2.83Å; F1324-R1328 WeakPolarHBondContact O-CB 3.34Å; F1324-R1328 PolarHBondContact O-N 3.5Å; F1324-L1920 HydrophobicContact CD2-CD1 4.33Å
1325N78.6Confident74.4Confident99 Ų9976 Ų7653%0.52935%0.351SS..Hα-helixtrans-63.3-38.9175.8-71.7-16.4000112.3K1321 A1322 R1329K1321-N1325 WeakPolarHBondContact O-CB 3.49Å; K1321-N1325 VanDerWaalsContact O-CG 3.22Å; K1321-N1325 PolarHBondContact O-N 2.88Å; K1321-N1325 PolarHBondContact O-ND2 3.45Å; A1322-N1325 PolarHBondContact O-N 3.26Å; N1325-R1329 VanDerWaalsContact O-CB 3.28Å; N1325-R1329 WeakPolarHBondContact O-CB 2.89Å; N1325-R1329 PolarHBondContact O-N 2.9Å
1326D73.2Confident74.7Confident56 Ų5678.7 Ų78.730%0.29936%0.363SS..Hα-helixtrans-65.8-46.6175.4-179.828.8000111.8A1322 K1323 F1324 R1328 R1329 R1330A1322-D1326 VanDerWaalsContact O-CB 3.31Å; A1322-D1326 WeakPolarHBondContact O-CB 3.31Å; A1322-D1326 PolarHBondContact O-N 3.31Å; K1323-D1326 PolarHBondContact O-N 2.83Å; F1324-D1326 VanDerWaalsContact C-N 3.34Å; F1324-D1326 PolarHBondContact O-N 2.9Å; D1326-R1328 PolarHBondContact O-N 3.09Å; D1326-R1329 CarbonylContact O-C 3.58Å; D1326-R1329 PolarHBondContact O-N 3.49Å; D1326-R1330 WeakPolarHBondContact O-CB 3.48Å; D1326-R1330 WeakPolarHBondContact O-CG 3.44Å; D1326-R1330 PolarHBondContact O-N 3.05Å; D1326-R1330 IonicContact OD1-CZ 3.01Å; D1326-R1330 IonicContact OD1-NE 2.87Å; D1326-R1330 PolarHBondContact OD1-NE 3.11Å; D1326-R1330 IonicContact OD1-NH2 3.84Å; D1326-R1330 IonicContact OD2-CZ 3.27Å; D1326-R1330 IonicContact OD2-NE 3.51Å; D1326-R1330 PolarHBondContact OD2-NE 3.44Å; D1326-R1330 IonicContact OD2-NH2 2.6Å; D1326-R1330 PolarHBondContact OD2-NH2 2.6Å
1327I69.7Low74.9Confident21 Ų2182.3 Ų82.311%0.10838%0.376CS..Hα-helixtrans-60.1-45175.1-73.3149.4000111.4K1323 F1324 R1329 R1330 T1331 L1920 L2365K1323-I1327 WeakPolarHBondContact O-CB 3.02Å; K1323-I1327 VanDerWaalsContact O-CD1 3.28Å; K1323-I1327 WeakPolarHBondContact O-CD1 3.27Å; K1323-I1327 WeakPolarHBondContact O-CG1 2.99Å; K1323-I1327 PolarHBondContact O-N 2.63Å; F1324-I1327 PolarHBondContact O-N 2.83Å; I1327-R1329 PolarHBondContact O-N 3.4Å; I1327-R1330 WeakPolarHBondContact O-CB 3.44Å; I1327-R1330 PolarHBondContact O-N 3.47Å; I1327-T1331 PolarHBondContact O-N 3.23Å; I1327-T1331 PolarHBondContact O-OG1 2.69Å; I1327-L1920 HydrophobicContact CD1-CD1 4.21Å; I1327-L1920 HydrophobicContact CD1-CD2 3.39Å; I1327-L1920 HydrophobicContact CD1-CG 4.42Å; I1327-L1920 HydrophobicContact CG1-CD2 4.34Å; I1327-L1920 HydrophobicContact CG2-CD2 4.28Å; I1327-L2365 HydrophobicContact CG1-CD1 4.44Å; I1327-L2365 HydrophobicContact CG2-CD1 4.28Å; I1327-L2365 HydrophobicContact CG2-CG 4.21Å
1328R77.1Confident74.8Confident148 Ų14880.6 Ų80.656%0.55837%0.366SS*.Hα-helixtrans-57.6-50.2174.1177.8176.2175.3169.21.5111.5F1324 D1326 R1330 T1331 E1332F1324-R1328 WeakPolarHBondContact O-CB 3.34Å; F1324-R1328 PolarHBondContact O-N 3.5Å; D1326-R1328 PolarHBondContact O-N 3.09Å; R1328-R1330 VanDerWaalsContact C-N 3.28Å; R1328-R1330 PolarHBondContact O-N 2.87Å; R1328-T1331 PolarHBondContact O-N 3.4Å; R1328-E1332 VanDerWaalsContact CG-OE1 3.31Å; R1328-E1332 WeakPolarHBondContact CG-OE1 3.43Å; R1328-E1332 IonicContact CZ-OE1 3.69Å; R1328-E1332 IonicContact NE-OE1 3.3Å; R1328-E1332 PolarHBondContact NE-OE1 3.24Å; R1328-E1332 IonicContact NH2-OE1 3.69Å; R1328-E1332 WeakPolarHBondContact O-CB 3.13Å; R1328-E1332 WeakPolarHBondContact O-CG 3.48Å; R1328-E1332 PolarHBondContact O-N 3.02Å
1329R79.8Confident74.8Confident188 Ų18878.7 Ų78.771%0.70936%0.357SS*.Hα-helixtrans-59.9-36.9176.9-175.2-177.9-178.8-168.1-0.6112.1N1325 D1326 I1327 A1333N1325-R1329 VanDerWaalsContact O-CB 3.28Å; N1325-R1329 WeakPolarHBondContact O-CB 2.89Å; N1325-R1329 PolarHBondContact O-N 2.9Å; D1326-R1329 CarbonylContact O-C 3.58Å; D1326-R1329 PolarHBondContact O-N 3.49Å; I1327-R1329 PolarHBondContact O-N 3.4Å; R1329-A1333 WeakPolarHBondContact O-CB 3.37Å; R1329-A1333 PolarHBondContact O-N 3.46Å
1330R70.7Confident75.2Confident63 Ų6379.1 Ų79.124%0.23836%0.358CS..Hα-helixtrans-67-47.9175.1-71.9169.8-169.3-150.92.7111.2D1326 I1327 R1328 E1332 A1333 I1334 V1378 L2365D1326-R1330 WeakPolarHBondContact O-CB 3.48Å; D1326-R1330 WeakPolarHBondContact O-CG 3.44Å; D1326-R1330 PolarHBondContact O-N 3.05Å; D1326-R1330 IonicContact OD1-CZ 3.01Å; D1326-R1330 IonicContact OD1-NE 2.87Å; D1326-R1330 PolarHBondContact OD1-NE 3.11Å; D1326-R1330 IonicContact OD1-NH2 3.84Å; D1326-R1330 IonicContact OD2-CZ 3.27Å; D1326-R1330 IonicContact OD2-NE 3.51Å; D1326-R1330 PolarHBondContact OD2-NE 3.44Å; D1326-R1330 IonicContact OD2-NH2 2.6Å; D1326-R1330 PolarHBondContact OD2-NH2 2.6Å; I1327-R1330 WeakPolarHBondContact O-CB 3.44Å; I1327-R1330 PolarHBondContact O-N 3.47Å; R1328-R1330 VanDerWaalsContact C-N 3.28Å; R1328-R1330 PolarHBondContact O-N 2.87Å; R1330-E1332 VanDerWaalsContact C-N 3.35Å; R1330-E1332 PolarHBondContact O-N 3.39Å; R1330-A1333 CarbonylContact O-C 3.53Å; R1330-A1333 PolarHBondContact O-N 3.07Å; R1330-I1334 WeakPolarHBondContact O-CD1 3.48Å; R1330-I1334 VanDerWaalsContact O-CG1 3.22Å; R1330-I1334 WeakPolarHBondContact O-CG1 3.37Å; R1330-I1334 PolarHBondContact O-N 2.91Å; R1330-V1378 VanDerWaalsContact NH1-CG1 3.31Å; R1330-L2365 HydrophobicContact CB-CD1 4.32Å
1331T75.5Confident75.5Confident14 Ų1478 Ų789%0.08635%0.352CS..Hα-helixtrans-58.7-46.8176.3-46.60000111.3I1327 R1328 A1333 I1334 R1335 L2365 A2369I1327-T1331 PolarHBondContact O-N 3.23Å; I1327-T1331 PolarHBondContact O-OG1 2.69Å; R1328-T1331 PolarHBondContact O-N 3.4Å; T1331-A1333 PolarHBondContact O-N 3Å; T1331-I1334 PolarHBondContact O-N 2.97Å; T1331-R1335 WeakPolarHBondContact O-CB 3.45Å; T1331-R1335 PolarHBondContact O-N 3.05Å; T1331-L2365 WeakPolarHBondContact OG1-CD2 3.33Å; T1331-A2369 HydrophobicContact CG2-CB 3.85Å
1332E81.5Confident75.1Confident96 Ų9672.7 Ų72.745%0.44933%0.331SS..Hα-helixtrans-59.7-43.9176.2-70.8168.5-176.800111R1328 R1330 R1335 E1336R1328-E1332 VanDerWaalsContact CG-OE1 3.31Å; R1328-E1332 WeakPolarHBondContact CG-OE1 3.43Å; R1328-E1332 IonicContact CZ-OE1 3.69Å; R1328-E1332 IonicContact NE-OE1 3.3Å; R1328-E1332 PolarHBondContact NE-OE1 3.24Å; R1328-E1332 IonicContact NH2-OE1 3.69Å; R1328-E1332 WeakPolarHBondContact O-CB 3.13Å; R1328-E1332 WeakPolarHBondContact O-CG 3.48Å; R1328-E1332 PolarHBondContact O-N 3.02Å; R1330-E1332 VanDerWaalsContact C-N 3.35Å; R1330-E1332 PolarHBondContact O-N 3.39Å; E1332-R1335 PolarHBondContact O-N 3.43Å; E1332-E1336 WeakPolarHBondContact O-CB 3.49Å; E1332-E1336 PolarHBondContact O-N 3.18Å
1333A79.5Confident75.1Confident25 Ų2575.5 Ų75.521%0.20733%0.334CS..Hα-helixtrans-70.7-31.6177.600000114.4R1329 R1330 T1331 R1337R1329-A1333 WeakPolarHBondContact O-CB 3.37Å; R1329-A1333 PolarHBondContact O-N 3.46Å; R1330-A1333 CarbonylContact O-C 3.53Å; R1330-A1333 PolarHBondContact O-N 3.07Å; T1331-A1333 PolarHBondContact O-N 3Å; A1333-R1337 WeakPolarHBondContact O-CB 3.13Å; A1333-R1337 VanDerWaalsContact O-CG 3.24Å; A1333-R1337 WeakPolarHBondContact O-CG 3.41Å; A1333-R1337 PolarHBondContact O-N 3.25Å; A1333-R1337 PolarHBondContact O-NE 3.34Å
1334I73Confident75.2Confident18 Ų1882.4 Ų82.49%0.09236%0.359CS..Hα-helixtrans-69.3-45.1173.5-65159.2000109.1R1330 T1331 E1336 R1337 Y1338 D2362 L2365 L2374 L2378R1330-I1334 WeakPolarHBondContact O-CD1 3.48Å; R1330-I1334 VanDerWaalsContact O-CG1 3.22Å; R1330-I1334 WeakPolarHBondContact O-CG1 3.37Å; R1330-I1334 PolarHBondContact O-N 2.91Å; T1331-I1334 PolarHBondContact O-N 2.97Å; I1334-E1336 PolarHBondContact O-N 2.92Å; I1334-R1337 PolarHBondContact O-N 3.3Å; I1334-Y1338 WeakPolarHBondContact O-CB 3.35Å; I1334-Y1338 PolarHBondContact O-N 3.5Å; I1334-D2362 HydrophobicContact CD1-CB 4.06Å; I1334-L2365 HydrophobicContact CD1-CD2 4.19Å; I1334-L2374 HydrophobicContact CB-CD2 4.5Å; I1334-L2374 HydrophobicContact CG2-CD1 4.33Å; I1334-L2374 HydrophobicContact CG2-CD2 3.96Å; I1334-L2374 HydrophobicContact CG2-CG 4.43Å; I1334-L2378 HydrophobicContact CG2-CD1 4.16Å
1335R80.8Confident75.1Confident136 Ų13677.7 Ų77.751%0.51334%0.338SS..Hα-helixtrans-58.8-46.1175.4-172.1-174.9-74.4168.9-6.8111.3T1331 E1332 Y1338 Q1339 D2371 L2374T1331-R1335 WeakPolarHBondContact O-CB 3.45Å; T1331-R1335 PolarHBondContact O-N 3.05Å; E1332-R1335 PolarHBondContact O-N 3.43Å; R1335-Y1338 PolarHBondContact O-N 3.36Å; R1335-Q1339 WeakPolarHBondContact O-CB 3.3Å; R1335-Q1339 PolarHBondContact O-N 3Å; R1335-D2371 IonicContact CZ-OD2 2.86Å; R1335-D2371 VanDerWaalsContact CZ-OD2 3.27Å; R1335-D2371 IonicContact NE-OD2 2.69Å; R1335-D2371 PolarHBondContact NE-OD2 3.12Å; R1335-D2371 IonicContact NH2-OD2 3.62Å; R1335-D2371 PolarHBondContact NH2-OD2 3.17Å; R1335-L2374 HydrophobicContact CB-CD2 4.23Å
1336E82.2Confident74.4Confident105 Ų10576 Ų7649%0.49134%0.338SS..Hα-helixtrans-63.8-42.6176.8-164.7-163.9178.900112.4E1332 I1334 K1340E1332-E1336 WeakPolarHBondContact O-CB 3.49Å; E1332-E1336 PolarHBondContact O-N 3.18Å; I1334-E1336 PolarHBondContact O-N 2.92Å; E1336-K1340 HydrophobicContact CG-CD 4.43Å; E1336-K1340 WeakPolarHBondContact O-CG 3.18Å; E1336-K1340 PolarHBondContact O-N 2.96Å; E1336-K1340 VanDerWaalsContact OE1-CE 3.26Å; E1336-K1340 WeakPolarHBondContact OE1-CE 3.17Å; E1336-K1340 IonicContact OE1-NZ 3.7Å; E1336-K1340 PolarHBondContact OE1-NZ 2.99Å; E1336-K1340 IonicContact OE2-NZ 2.79Å
1337R74Confident74Confident86 Ų8678.2 Ų78.233%0.32536%0.364SS..Hα-helixtrans-61.4-43.4174.8-79.3178.5-126.8-143.2-4.7111.9A1333 I1334 K1340 Q1341 D1375A1333-R1337 WeakPolarHBondContact O-CB 3.13Å; A1333-R1337 VanDerWaalsContact O-CG 3.24Å; A1333-R1337 WeakPolarHBondContact O-CG 3.41Å; A1333-R1337 PolarHBondContact O-N 3.25Å; A1333-R1337 PolarHBondContact O-NE 3.34Å; I1334-R1337 PolarHBondContact O-N 3.3Å; R1337-K1340 PolarHBondContact O-N 3.36Å; R1337-Q1341 WeakPolarHBondContact O-CG 3.35Å; R1337-Q1341 PolarHBondContact O-N 2.91Å; R1337-D1375 WeakPolarHBondContact CD-OD1 3.36Å; R1337-D1375 IonicContact CZ-OD1 3.38Å; R1337-D1375 IonicContact NE-OD1 2.79Å; R1337-D1375 IonicContact NH1-OD1 3.31Å; R1337-D1375 PolarHBondContact NH1-OD1 2.84Å
1338Y71.6Confident73.7Confident18 Ų1882.2 Ų82.27%0.07138%0.382CS..Hα-helixtrans-68.7-43.1-179.9-165.5-108.9000111.5I1334 R1335 K1340 Q1341 I1342 M1367 L2374 D2377I1334-Y1338 WeakPolarHBondContact O-CB 3.35Å; I1334-Y1338 PolarHBondContact O-N 3.5Å; R1335-Y1338 PolarHBondContact O-N 3.36Å; Y1338-K1340 VanDerWaalsContact C-N 3.32Å; Y1338-K1340 PolarHBondContact O-N 3.06Å; Y1338-Q1341 CarbonylContact O-C 3.59Å; Y1338-Q1341 WeakPolarHBondContact O-CA 3.33Å; Y1338-Q1341 WeakPolarHBondContact O-CB 3.25Å; Y1338-Q1341 PolarHBondContact O-N 2.8Å; Y1338-I1342 HydrophobicContact CD1-CD1 3.75Å; Y1338-I1342 HydrophobicContact CD1-CG1 4.15Å; Y1338-I1342 HydrophobicContact CE1-CD1 3.66Å; Y1338-I1342 HydrophobicContact CE1-CG1 3.94Å; Y1338-I1342 WeakPolarHBondContact O-CG1 3.44Å; Y1338-I1342 PolarHBondContact O-N 2.76Å; Y1338-M1367 HydrophobicContact CE2-CE 3.76Å; Y1338-M1367 WeakPolarHBondContact OH-CE 3.45Å; Y1338-L2374 HydrophobicContact CD1-CD1 4.03Å; Y1338-L2374 HydrophobicContact CG-CD1 3.97Å; Y1338-D2377 HydrophobicContact CD1-CB 4.28Å; Y1338-D2377 HydrophobicContact CE1-CB 3.46Å; Y1338-D2377 VanDerWaalsContact CE1-CB 3.46Å; Y1338-D2377 VanDerWaalsContact CE1-OD2 3.3Å; Y1338-D2377 WeakPolarHBondContact CE1-OD2 3.42Å; Y1338-D2377 HydrophobicContact CE2-CB 4.21Å; Y1338-D2377 VanDerWaalsContact CZ-CB 3.43Å; Y1338-D2377 VanDerWaalsContact CZ-CG 3.45Å; Y1338-D2377 WeakPolarHBondContact OH-CB 3.09Å; Y1338-D2377 PolarHBondContact OH-OD1 3.04Å
1339Q78.5Confident72.8Confident94 Ų9478.9 Ų78.944%0.43937%0.37SS..Hα-helixtrans-57.5-42.8173.6-17263.721.500112R1335 Q1341 I1342 E1343R1335-Q1339 WeakPolarHBondContact O-CB 3.3Å; R1335-Q1339 PolarHBondContact O-N 3Å; Q1339-Q1341 VanDerWaalsContact C-N 3.31Å; Q1339-Q1341 PolarHBondContact O-N 3.35Å; Q1339-I1342 WeakPolarHBondContact O-CB 3.24Å; Q1339-I1342 PolarHBondContact O-N 3.25Å; Q1339-E1343 WeakPolarHBondContact CG-OE1 3.03Å; Q1339-E1343 PolarHBondContact NE2-OE1 3.49Å; Q1339-E1343 WeakPolarHBondContact O-CG 3.36Å; Q1339-E1343 PolarHBondContact O-N 3.02Å
1340K77.2Confident71.9Confident90 Ų9078.2 Ų78.239%0.39138%0.381SS..Hα-helixtrans-65.3-29.7173.3-71.8170.7-176.51710113.4E1336 R1337 Y1338 R1344E1336-K1340 HydrophobicContact CG-CD 4.43Å; E1336-K1340 WeakPolarHBondContact O-CG 3.18Å; E1336-K1340 PolarHBondContact O-N 2.96Å; E1336-K1340 VanDerWaalsContact OE1-CE 3.26Å; E1336-K1340 WeakPolarHBondContact OE1-CE 3.17Å; E1336-K1340 IonicContact OE1-NZ 3.7Å; E1336-K1340 PolarHBondContact OE1-NZ 2.99Å; E1336-K1340 IonicContact OE2-NZ 2.79Å; R1337-K1340 PolarHBondContact O-N 3.36Å; Y1338-K1340 VanDerWaalsContact C-N 3.32Å; Y1338-K1340 PolarHBondContact O-N 3.06Å; K1340-R1344 WeakPolarHBondContact O-CB 3.31Å; K1340-R1344 VanDerWaalsContact O-CG 3.24Å; K1340-R1344 WeakPolarHBondContact O-CG 3.5Å; K1340-R1344 PolarHBondContact O-N 3.42Å; K1340-R1344 VanDerWaalsContact O-N 3.16Å
1341Q72Confident71.7Confident24 Ų2481.2 Ų81.211%0.11240%0.396CS..Hα-helixtrans-72.8-39172.9-73169.123.400111.3R1337 Y1338 Q1339 G1345 Y1370R1337-Q1341 WeakPolarHBondContact O-CG 3.35Å; R1337-Q1341 PolarHBondContact O-N 2.91Å; Y1338-Q1341 CarbonylContact O-C 3.59Å; Y1338-Q1341 WeakPolarHBondContact O-CA 3.33Å; Y1338-Q1341 WeakPolarHBondContact O-CB 3.25Å; Y1338-Q1341 PolarHBondContact O-N 2.8Å; Q1339-Q1341 VanDerWaalsContact C-N 3.31Å; Q1339-Q1341 PolarHBondContact O-N 3.35Å; Q1341-G1345 PolarHBondContact O-N 3.25Å; Q1341-Y1370 VanDerWaalsContact NE2-CE1 3.28Å
1342I68.5Low71.4Confident39 Ų3987.8 Ų87.820%0.243%0.425CS..Hα-helixtrans-57.8-52.9171.3-69.2173.5000110.4Y1338 Q1339 R1344 G1345 A1346Y1338-I1342 HydrophobicContact CD1-CD1 3.75Å; Y1338-I1342 HydrophobicContact CD1-CG1 4.15Å; Y1338-I1342 HydrophobicContact CE1-CD1 3.66Å; Y1338-I1342 HydrophobicContact CE1-CG1 3.94Å; Y1338-I1342 WeakPolarHBondContact O-CG1 3.44Å; Y1338-I1342 PolarHBondContact O-N 2.76Å; Q1339-I1342 WeakPolarHBondContact O-CB 3.24Å; Q1339-I1342 PolarHBondContact O-N 3.25Å; I1342-R1344 PolarHBondContact O-N 2.75Å; I1342-G1345 CarbonylContact O-C 3.6Å; I1342-G1345 PolarHBondContact O-N 3.26Å; I1342-G1345 VanDerWaalsContact O-N 3.16Å; I1342-A1346 PolarHBondContact O-N 2.89Å
1343E75.7Confident70.9Confident117 Ų11785.1 Ų85.155%0.54742%0.416SS..Hα-helixtrans-62.5-41.4-177.1-73.1165.7-171.400112.5Q1339 G1345 A1346Q1339-E1343 WeakPolarHBondContact CG-OE1 3.03Å; Q1339-E1343 PolarHBondContact NE2-OE1 3.49Å; Q1339-E1343 WeakPolarHBondContact O-CG 3.36Å; Q1339-E1343 PolarHBondContact O-N 3.02Å; E1343-G1345 VanDerWaalsContact C-N 3.35Å; E1343-A1346 WeakPolarHBondContact O-CB 3.45Å; E1343-A1346 PolarHBondContact O-N 3.47Å
1344R69.5Low70.9Confident194 Ų19490.2 Ų90.273%0.73244%0.444SS*.Hα-helixtrans-67.2-34.4174.6-73.1173.5-178-172.21112.9K1340 I1342K1340-R1344 WeakPolarHBondContact O-CB 3.31Å; K1340-R1344 VanDerWaalsContact O-CG 3.24Å; K1340-R1344 WeakPolarHBondContact O-CG 3.5Å; K1340-R1344 PolarHBondContact O-N 3.42Å; K1340-R1344 VanDerWaalsContact O-N 3.16Å; I1342-R1344 PolarHBondContact O-N 2.75Å
1345G67.8Low71.4Confident1 Ų192.7 Ų92.71%0.0146%0.46CS..Hα-helixtrans-78.7-14.217800000114.4Q1341 I1342 E1343 A1347 E1348 R1349Q1341-G1345 PolarHBondContact O-N 3.25Å; I1342-G1345 CarbonylContact O-C 3.6Å; I1342-G1345 PolarHBondContact O-N 3.26Å; I1342-G1345 VanDerWaalsContact O-N 3.16Å; E1343-G1345 VanDerWaalsContact C-N 3.35Å; G1345-A1347 PolarHBondContact O-N 3.43Å; G1345-E1348 PolarHBondContact O-N 2.96Å; G1345-R1349 WeakPolarHBondContact O-CG 3.37Å; G1345-R1349 PolarHBondContact O-N 3.4Å
1346A64.6Low71.5Confident63 Ų6388.9 Ų88.952%0.52145%0.446SS..G310 helixtrans-58.9-23.8-173.100000114.6I1342 E1343I1342-A1346 PolarHBondContact O-N 2.89Å; E1343-A1346 WeakPolarHBondContact O-CB 3.45Å; E1343-A1346 PolarHBondContact O-N 3.47Å
1347A65.3Low71.4Confident103 Ų10384.9 Ų84.985%0.85143%0.434SS*.G310 helixtrans-78.8-13.6174.800000114.5G1345G1345-A1347 PolarHBondContact O-N 3.43Å
1348E62.3Low71.9Confident105 Ų10584.3 Ų84.349%0.49143%0.434SS..G310 helixtrans-110.57.4178.9-63.7-177.314900112.1G1345 Y1366 K1369G1345-E1348 PolarHBondContact O-N 2.96Å; E1348-Y1366 WeakPolarHBondContact OE2-CB 3.08Å; E1348-K1369 IonicContact OE1-NZ 3.58Å; E1348-K1369 PolarHBondContact OE1-NZ 3.43Å; E1348-K1369 IonicContact OE2-NZ 2.94Å; E1348-K1369 PolarHBondContact OE2-NZ 3.47Å
1349R58.9Low72.3Confident77 Ų7783.7 Ų83.729%0.29143%0.433SS..  trans-101.1113.8-174.7-78.3179.6177.7-156.9-5.8113.8G1345 Y1366G1345-R1349 WeakPolarHBondContact O-CG 3.37Å; G1345-R1349 PolarHBondContact O-N 3.4Å; R1349-Y1366 HydrophobicContact CG-CE1 4.48Å; R1349-Y1366 PolarHBondContact NE-OH 3.37Å; R1349-Y1366 PolarHBondContact NH2-OH 2.88Å
1350D60.5Low72.5Confident175 Ų17582.1 Ų82.194%0.93643%0.425SS*.SBendtrans-92.1-6.2167.1-72.5-28.2000114
1351F66.9Low72.8Confident126 Ų12686.4 Ų86.455%0.55344%0.439SS*.  trans-149.4129.2-168.1-174.3-110000113.9H1358F1351-H1358 HydrophobicContact CE1-CB 3.85Å; F1351-H1358 AromaticContact CE1-CG 3.91Å; F1351-H1358 HydrophobicContact CZ-CB 4.11Å; F1351-H1358 AromaticContact CZ-CE1 3.78Å; F1351-H1358 AromaticContact CZ-CG 3.65Å; F1351-H1358 AromaticContact CZ-ND1 3.39Å; F1351-H1358 WeakPolarHBondContact CZ-ND1 3.31Å
1352E69.2Low73.1Confident152 Ų15286.8 Ų86.871%0.7145%0.446SS*.  trans-105.9127.6175.3-170.2172-158.800111.4V1354E1352-V1354 PolarHBondContact O-N 3.2Å; E1352-V1354 VanDerWaalsContact O-N 3.14Å
1353P71.1Confident73.6Confident39 Ų3985.6 Ų85.625%0.25344%0.443SS..  trans-81.695.7-172.530.3-34.5000114.1H1358 A1359 A1362P1353-H1358 HydrophobicContact CB-CB 3.66Å; P1353-A1359 VanDerWaalsContact CB-CA 3.46Å; P1353-A1359 HydrophobicContact CB-CB 4.02Å; P1353-A1359 VanDerWaalsContact CB-N 3.3Å; P1353-A1359 HydrophobicContact CG-CB 4.43Å; P1353-A1362 HydrophobicContact CB-CB 4.08Å; P1353-A1362 HydrophobicContact CG-CB 3.97Å
1354V79.9Confident73.7Confident133 Ų13382.7 Ų82.781%0.80643%0.431SS*.  trans-74.8-21.7177-173.40000114.2E1352E1352-V1354 PolarHBondContact O-N 3.2Å; E1352-V1354 VanDerWaalsContact O-N 3.14Å
1355T82.4Confident74.2Confident69 Ų6979.3 Ų79.342%0.42342%0.419SS..SBendtrans-121.4154.7-177.172.50000111.8G1357 H1358 A1359T1355-G1357 PolarHBondContact O-N 3.01Å; T1355-G1357 VanDerWaalsContact O-N 3.15Å; T1355-H1358 CarbonylContact O-C 3.57Å; T1355-H1358 WeakPolarHBondContact O-CA 3.38Å; T1355-H1358 WeakPolarHBondContact O-CB 3.38Å; T1355-H1358 PolarHBondContact O-N 3Å; T1355-H1358 PolarHBondContact OG1-CD2 3.42Å; T1355-H1358 PolarHBondContact OG1-N 3.48Å; T1355-A1359 PolarHBondContact O-N 2.9Å
1356Y82.5Confident74.8Confident56 Ų5680.6 Ų80.622%0.2242%0.424CS..Hα-helixtrans-50.2-41.3173.8178.1-95.2000112.5H1358 A1359 K1360 P1964 D1967 Q2376Y1356-H1358 VanDerWaalsContact C-N 3.28Å; Y1356-H1358 PolarHBondContact O-N 2.95Å; Y1356-A1359 PolarHBondContact O-N 2.86Å; Y1356-K1360 HydrophobicContact CE1-CB 4.48Å; Y1356-K1360 HydrophobicContact CE1-CD 4.04Å; Y1356-K1360 VanDerWaalsContact O-CB 3.26Å; Y1356-K1360 WeakPolarHBondContact O-CB 3.2Å; Y1356-K1360 PolarHBondContact O-N 2.79Å; Y1356-P1964 HydrophobicContact CD1-CG 4.34Å; Y1356-P1964 HydrophobicContact CE1-CG 3.59Å; Y1356-P1964 WeakPolarHBondContact OH-CD 3.34Å; Y1356-D1967 WeakPolarHBondContact OH-CB 3.46Å; Y1356-D1967 PolarHBondContact OH-OD2 3.3Å; Y1356-Q2376 HydrophobicContact CD2-CG 3.96Å; Y1356-Q2376 HydrophobicContact CE2-CG 3.98Å
1357G81.8Confident75.3Confident22 Ų2277.7 Ų77.723%0.22740%0.4CS..Hα-helixtrans-67.6-25.2177.400000114.1T1355 R1361T1355-G1357 PolarHBondContact O-N 3.01Å; T1355-G1357 VanDerWaalsContact O-N 3.15Å; G1357-R1361 WeakPolarHBondContact O-CG 3.28Å; G1357-R1361 PolarHBondContact O-NH1 3.5Å
1358H84.2Confident75.8Confident73 Ų7373.9 Ų73.934%0.33836%0.364SS..Hα-helixtrans-79.4-48.4170.4-63.1179.7000110.3F1351 P1353 T1355 Y1356 K1360 R1361 A1362F1351-H1358 HydrophobicContact CE1-CB 3.85Å; F1351-H1358 AromaticContact CE1-CG 3.91Å; F1351-H1358 HydrophobicContact CZ-CB 4.11Å; F1351-H1358 AromaticContact CZ-CE1 3.78Å; F1351-H1358 AromaticContact CZ-CG 3.65Å; F1351-H1358 AromaticContact CZ-ND1 3.39Å; F1351-H1358 WeakPolarHBondContact CZ-ND1 3.31Å; P1353-H1358 HydrophobicContact CB-CB 3.66Å; T1355-H1358 CarbonylContact O-C 3.57Å; T1355-H1358 WeakPolarHBondContact O-CA 3.38Å; T1355-H1358 WeakPolarHBondContact O-CB 3.38Å; T1355-H1358 PolarHBondContact O-N 3Å; T1355-H1358 PolarHBondContact OG1-CD2 3.42Å; T1355-H1358 PolarHBondContact OG1-N 3.48Å; Y1356-H1358 VanDerWaalsContact C-N 3.28Å; Y1356-H1358 PolarHBondContact O-N 2.95Å; H1358-K1360 PolarHBondContact O-N 3.36Å; H1358-R1361 CarbonylContact O-C 3.56Å; H1358-R1361 WeakPolarHBondContact O-CA 3.41Å; H1358-R1361 PolarHBondContact O-N 3.36Å; H1358-A1362 WeakPolarHBondContact O-CB 3.25Å; H1358-A1362 PolarHBondContact O-N 2.97Å
1359A80.1Confident76.3Confident6 Ų675.1 Ų75.15%0.0537%0.368CS..Hα-helixtrans-56.3-49.5-178.600000111.4P1353 T1355 Y1356 R1361 A1362 A2380P1353-A1359 VanDerWaalsContact CB-CA 3.46Å; P1353-A1359 HydrophobicContact CB-CB 4.02Å; P1353-A1359 VanDerWaalsContact CB-N 3.3Å; P1353-A1359 HydrophobicContact CG-CB 4.43Å; T1355-A1359 PolarHBondContact O-N 2.9Å; Y1356-A1359 PolarHBondContact O-N 2.86Å; A1359-R1361 PolarHBondContact O-N 3.47Å; A1359-A1362 PolarHBondContact O-N 3.3Å; A1359-A2380 WeakPolarHBondContact O-CB 3.5Å
1360K83.2Confident77Confident61 Ų6173.7 Ų73.727%0.26536%0.363SS..THydrogen-bonded Turntrans-53-26.1173.6-177.8177.2-178.5177.80114.6Y1356 H1358 D1967 I2383Y1356-K1360 HydrophobicContact CE1-CB 4.48Å; Y1356-K1360 HydrophobicContact CE1-CD 4.04Å; Y1356-K1360 VanDerWaalsContact O-CB 3.26Å; Y1356-K1360 WeakPolarHBondContact O-CB 3.2Å; Y1356-K1360 PolarHBondContact O-N 2.79Å; H1358-K1360 PolarHBondContact O-N 3.36Å; K1360-D1967 WeakPolarHBondContact CE-OD1 3.33Å; K1360-D1967 WeakPolarHBondContact CE-OD2 3.33Å; K1360-D1967 IonicContact NZ-OD1 2.74Å; K1360-D1967 PolarHBondContact NZ-OD1 2.95Å; K1360-D1967 IonicContact NZ-OD2 3.13Å; K1360-D1967 PolarHBondContact NZ-OD2 3.17Å; K1360-I2383 HydrophobicContact CG-CD1 4.03Å
1361R82.1Confident77.3Confident180 Ų18069.9 Ų69.968%0.67934%0.342SS*.THydrogen-bonded Turntrans-105.9-7-177.8-66.8-176.8-179.693.1-8.6113.9G1357 H1358 A1359 G1363G1357-R1361 WeakPolarHBondContact O-CG 3.28Å; G1357-R1361 PolarHBondContact O-NH1 3.5Å; H1358-R1361 CarbonylContact O-C 3.56Å; H1358-R1361 WeakPolarHBondContact O-CA 3.41Å; H1358-R1361 PolarHBondContact O-N 3.36Å; A1359-R1361 PolarHBondContact O-N 3.47Å; R1361-G1363 PolarHBondContact O-N 3.4Å
1362A79.1Confident77.3Confident32 Ų3264.8 Ų64.826%0.26432%0.322SS..  trans-81.15.2-175.400000114.2P1353 H1358 A1359P1353-A1362 HydrophobicContact CB-CB 4.08Å; P1353-A1362 HydrophobicContact CG-CB 3.97Å; H1358-A1362 WeakPolarHBondContact O-CB 3.25Å; H1358-A1362 PolarHBondContact O-N 2.97Å; A1359-A1362 PolarHBondContact O-N 3.3Å
1363G77.7Confident76.9Confident13 Ų1362 Ų6213%0.13431%0.309CS..  trans-65.8135.6173.800000111.9R1361 M1367 F2384R1361-G1363 PolarHBondContact O-N 3.4Å; G1363-M1367 VanDerWaalsContact CA-SD 3.59Å; G1363-F2384 WeakPolarHBondContact O-CD2 3.45Å; G1363-F2384 VanDerWaalsContact O-CE2 3.24Å; G1363-F2384 WeakPolarHBondContact O-CE2 3.34Å
1364D78.7Confident76.7Confident56 Ų5666 Ų6630%0.29933%0.329SS..  trans-153.3166-177.3-173.531.3000112.1Y1366 M1367 F1368D1364-Y1366 VanDerWaalsContact C-N 3.26Å; D1364-Y1366 HydrophobicContact CB-CD1 3.84Å; D1364-Y1366 HydrophobicContact CB-CE1 3.75Å; D1364-Y1366 PolarHBondContact O-N 3.12Å; D1364-Y1366 VanDerWaalsContact O-N 3.16Å; D1364-Y1366 WeakPolarHBondContact OD2-CD1 3.35Å; D1364-M1367 WeakPolarHBondContact O-CB 3.33Å; D1364-M1367 WeakPolarHBondContact O-CG 3.33Å; D1364-M1367 PolarHBondContact O-N 2.69Å; D1364-M1367 VanDerWaalsContact O-N 3.13Å; D1364-F1368 WeakPolarHBondContact O-CE2 3.35Å
1365Y80.8Confident75.8Confident124 Ų12460.7 Ų60.749%0.48630%0.295SS..G310 helixtrans-56.9-31.8-172.2-67.4-83.7000114.2M1367 F1368 K1369 F2384 T2391Y1365-M1367 PolarHBondContact O-N 2.78Å; Y1365-M1367 VanDerWaalsContact O-N 3.14Å; Y1365-F1368 PolarHBondContact O-N 3Å; Y1365-K1369 PolarHBondContact O-N 3Å; Y1365-F2384 HydrophobicContact CD1-CE1 4.19Å; Y1365-F2384 HydrophobicContact CD1-CZ 4.16Å; Y1365-F2384 AromaticContact CD2-CZ 3.89Å; Y1365-F2384 HydrophobicContact CD2-CZ 3.89Å; Y1365-F2384 HydrophobicContact CE1-CE1 4.37Å; Y1365-F2384 HydrophobicContact CE1-CZ 4.21Å; Y1365-F2384 AromaticContact CE2-CZ 3.93Å; Y1365-F2384 HydrophobicContact CE2-CZ 3.93Å; Y1365-F2384 HydrophobicContact CG-CE1 4.33Å; Y1365-F2384 HydrophobicContact CG-CZ 4Å; Y1365-T2391 HydrophobicContact CD1-CG2 3.68Å; Y1365-T2391 HydrophobicContact CE1-CG2 3.77Å
1366Y80Confident74.6Confident27 Ų2763.4 Ų63.411%0.10631%0.307CS..G310 helixtrans-59.1-27.1179.674.5-96.4000113E1348 R1349 D1364 F1368 K1369E1348-Y1366 WeakPolarHBondContact OE2-CB 3.08Å; R1349-Y1366 HydrophobicContact CG-CE1 4.48Å; R1349-Y1366 PolarHBondContact NE-OH 3.37Å; R1349-Y1366 PolarHBondContact NH2-OH 2.88Å; D1364-Y1366 VanDerWaalsContact C-N 3.26Å; D1364-Y1366 HydrophobicContact CB-CD1 3.84Å; D1364-Y1366 HydrophobicContact CB-CE1 3.75Å; D1364-Y1366 PolarHBondContact O-N 3.12Å; D1364-Y1366 VanDerWaalsContact O-N 3.16Å; D1364-Y1366 WeakPolarHBondContact OD2-CD1 3.35Å; Y1366-F1368 PolarHBondContact O-N 3.26Å; Y1366-F1368 VanDerWaalsContact O-N 3.11Å; Y1366-K1369 PolarHBondContact O-N 2.81Å
1367M75Confident73.1Confident2 Ų265.3 Ų65.31%0.0132%0.321CS..G310 helixtrans-66.9-9.3177.4-55.2176.485.400113.6Y1338 G1363 D1364 Y1365 Y1370 K2381Y1338-M1367 HydrophobicContact CE2-CE 3.76Å; Y1338-M1367 WeakPolarHBondContact OH-CE 3.45Å; G1363-M1367 VanDerWaalsContact CA-SD 3.59Å; D1364-M1367 WeakPolarHBondContact O-CB 3.33Å; D1364-M1367 WeakPolarHBondContact O-CG 3.33Å; D1364-M1367 PolarHBondContact O-N 2.69Å; D1364-M1367 VanDerWaalsContact O-N 3.13Å; Y1365-M1367 PolarHBondContact O-N 2.78Å; Y1365-M1367 VanDerWaalsContact O-N 3.14Å; M1367-Y1370 WeakPolarHBondContact O-CE1 3.46Å; M1367-K2381 HydrophobicContact CE-CB 3.72Å; M1367-K2381 HydrophobicContact CE-CD 4.36Å; M1367-K2381 HydrophobicContact CE-CG 4.06Å; M1367-K2381 WeakPolarHBondContact O-CE 3.36Å; M1367-K2381 PolarHBondContact O-NZ 3.1Å
1368F76.6Confident71.7Confident24 Ų2466.4 Ų66.411%0.10532%0.323CS..G310 helixtrans-123.9-0.4-176.8-48.9-84.1000113.4D1364 Y1365 Y1366 Y1370 K2381 F2384 L2385D1364-F1368 WeakPolarHBondContact O-CE2 3.35Å; Y1365-F1368 PolarHBondContact O-N 3Å; Y1366-F1368 PolarHBondContact O-N 3.26Å; Y1366-F1368 VanDerWaalsContact O-N 3.11Å; F1368-Y1370 PolarHBondContact O-N 3.28Å; F1368-K2381 HydrophobicContact CE1-CD 4.42Å; F1368-K2381 HydrophobicContact CE1-CG 3.62Å; F1368-K2381 HydrophobicContact CZ-CG 3.59Å; F1368-K2381 WeakPolarHBondContact CZ-O 3.38Å; F1368-F2384 AromaticContact CD2-CD1 3.99Å; F1368-F2384 HydrophobicContact CD2-CD1 3.99Å; F1368-F2384 HydrophobicContact CD2-CE1 4.1Å; F1368-F2384 HydrophobicContact CE2-CB 4.32Å; F1368-F2384 AromaticContact CE2-CD1 3.21Å; F1368-F2384 HydrophobicContact CE2-CD1 3.21Å; F1368-F2384 AromaticContact CE2-CE1 3.76Å; F1368-F2384 HydrophobicContact CE2-CE1 3.76Å; F1368-F2384 HydrophobicContact CE2-CG 4.04Å; F1368-F2384 HydrophobicContact CZ-CB 4.3Å; F1368-F2384 AromaticContact CZ-CD1 3.83Å; F1368-F2384 HydrophobicContact CZ-CD1 3.83Å; F1368-F2384 HydrophobicContact CZ-CG 4.48Å; F1368-L2385 HydrophobicContact CD1-CD1 3.98Å; F1368-L2385 HydrophobicContact CE1-CB 3.86Å; F1368-L2385 HydrophobicContact CE1-CD1 3.69Å; F1368-L2385 HydrophobicContact CE1-CG 4.2Å; F1368-L2385 HydrophobicContact CZ-CB 4.06Å
1369K71.1Confident70.1Confident131 Ų13170.5 Ų70.557%0.5734%0.342SS*.  trans-73.640.4177.9-67.5179-175.5167.40113E1348 Y1365 Y1366E1348-K1369 IonicContact OE1-NZ 3.58Å; E1348-K1369 PolarHBondContact OE1-NZ 3.43Å; E1348-K1369 IonicContact OE2-NZ 2.94Å; E1348-K1369 PolarHBondContact OE2-NZ 3.47Å; Y1365-K1369 PolarHBondContact O-N 3Å; Y1366-K1369 PolarHBondContact O-N 2.81Å
1370Y73.5Confident68.6Low46 Ų4672.2 Ų72.218%0.1835%0.353CS..SBendtrans-143148.9178.276.8-90.5000111.4Q1341 M1367 F1368 P1372 D1375 K2381Q1341-Y1370 VanDerWaalsContact NE2-CE1 3.28Å; M1367-Y1370 WeakPolarHBondContact O-CE1 3.46Å; F1368-Y1370 PolarHBondContact O-N 3.28Å; Y1370-P1372 WeakPolarHBondContact O-CD 3.38Å; Y1370-D1375 WeakPolarHBondContact CE2-OD2 3.48Å; Y1370-D1375 PolarHBondContact OH-OD2 2.95Å; Y1370-K2381 PolarHBondContact OH-NZ 3.49Å
1371D67.5Low66.8Low95 Ų9571.5 Ų71.551%0.50835%0.354SS..  trans-66.6118.1-179.7-106.6-25.8000111.3E1373 N1374D1371-E1373 PolarHBondContact O-N 2.87Å; D1371-N1374 VanDerWaalsContact CB-ND2 3.31Å; D1371-N1374 WeakPolarHBondContact CB-ND2 3.26Å; D1371-N1374 PolarHBondContact O-N 2.95Å
1372P66.5Low65.1Low20 Ų2068.7 Ų68.713%0.1335%0.352CS..G310 helixtrans-69.3-11.8179.927.6-34.1000113.8Y1370 D1375 H2355 W2395Y1370-P1372 WeakPolarHBondContact O-CD 3.38Å; P1372-D1375 WeakPolarHBondContact O-CB 3.47Å; P1372-D1375 PolarHBondContact O-N 2.99Å; P1372-H2355 PolarHBondContact O-CE1 3.01Å; P1372-H2355 VanDerWaalsContact O-CE1 3.31Å; P1372-H2355 PolarHBondContact O-ND1 3.22Å; P1372-W2395 HydrophobicContact CB-CZ2 4.46Å
1373E61.5Low63.4Low93 Ų9370.2 Ų70.244%0.43536%0.361SS..G310 helixtrans-78.6-20.9175.7-60.6-168.9146.300113.2D1371 D1375 S2399D1371-E1373 PolarHBondContact O-N 2.87Å; E1373-D1375 PolarHBondContact O-N 2.88Å; E1373-S2399 WeakPolarHBondContact OE1-CB 3.21Å; E1373-S2399 PolarHBondContact OE1-OG 3.12Å
1374N66.7Low61.8Low124 Ų12472 Ų7266%0.66337%0.365SS*.G310 helixtrans-74.4-8.5171.5-64.3-44000112.3D1371 D1376D1371-N1374 VanDerWaalsContact CB-ND2 3.31Å; D1371-N1374 WeakPolarHBondContact CB-ND2 3.26Å; D1371-N1374 PolarHBondContact O-N 2.95Å; N1374-D1376 PolarHBondContact O-N 3.22Å
1375D60.2Low60.2Low21 Ų2171.4 Ų71.411%0.11236%0.363CS..SBendtrans-95.180.8179.7-105.1-8.5000109R1337 Y1370 P1372 E1373 L1377 K2358R1337-D1375 WeakPolarHBondContact CD-OD1 3.36Å; R1337-D1375 IonicContact CZ-OD1 3.38Å; R1337-D1375 IonicContact NE-OD1 2.79Å; R1337-D1375 IonicContact NH1-OD1 3.31Å; R1337-D1375 PolarHBondContact NH1-OD1 2.84Å; Y1370-D1375 WeakPolarHBondContact CE2-OD2 3.48Å; Y1370-D1375 PolarHBondContact OH-OD2 2.95Å; P1372-D1375 WeakPolarHBondContact O-CB 3.47Å; P1372-D1375 PolarHBondContact O-N 2.99Å; E1373-D1375 PolarHBondContact O-N 2.88Å; D1375-L1377 PolarHBondContact O-N 3.22Å; D1375-L1377 VanDerWaalsContact O-N 3.17Å; D1375-K2358 PolarHBondContact O-NZ 3.28Å
1376D57.1Low58.3Low126 Ų12666.6 Ų66.667%0.67435%0.347SS*.  trans-29.4117.6179.1-71.1-39.9000112.6N1374 V1378 K2358N1374-D1376 PolarHBondContact O-N 3.22Å; D1376-V1378 PolarHBondContact O-N 3.02Å; D1376-V1378 VanDerWaalsContact O-N 3.08Å; D1376-K2358 PolarHBondContact O-NZ 3.43Å
1377L52.2Low56.6Low95 Ų9570.9 Ų70.950%0.49737%0.368SS..  trans-62.3117-177.7-75.5174.3000108.6D1375 E1379 D2354D1375-L1377 PolarHBondContact O-N 3.22Å; D1375-L1377 VanDerWaalsContact O-N 3.17Å; L1377-E1379 PolarHBondContact O-N 3.1Å; L1377-D2354 HydrophobicContact CD2-CB 3.85Å
1378V51.6Low55.3Low45 Ų4572.5 Ų72.527%0.27338%0.378SS..  trans-69.5102.6-179.3173.70000107.6R1330 D1376 K2358R1330-V1378 VanDerWaalsContact NH1-CG1 3.31Å; D1376-V1378 PolarHBondContact O-N 3.02Å; D1376-V1378 VanDerWaalsContact O-N 3.08Å; V1378-K2358 HydrophobicContact CG2-CD 4.09Å; V1378-K2358 HydrophobicContact CG2-CG 4.23Å
1379E50.3Low53.9Low159 Ų15974 Ų7474%0.74339%0.387SS*.  trans-52.7131.5163.8-69.4-173.6161.800107.7L1377 V1381L1377-E1379 PolarHBondContact O-N 3.1Å; E1379-V1381 PolarHBondContact O-N 2.92Å
1380P48.6Very low52.8Low43 Ų4372.1 Ų72.128%0.27939%0.388SS..  trans-55.3139.4175.527.8-35.9000107.7D1382 Y1930P1380-D1382 VanDerWaalsContact C-N 3.28Å; P1380-D1382 PolarHBondContact O-N 3.33Å; P1380-Y1930 HydrophobicContact CG-CE2 4.08Å
1381V45.5Very low51.5Low46 Ų4679.6 Ų79.628%0.27942%0.422SS..  trans-6696.4177.4-177.70000107.5K1323 E1379K1323-V1381 HydrophobicContact CD-CG1 3.93Å; E1379-V1381 PolarHBondContact O-N 2.92Å
1382D46.1Very low50.5Low121 Ų12177.6 Ų77.665%0.64742%0.419SS*.  trans-53.7147.2178.1-91.8-24.5000109.5K1323 P1380K1323-D1382 PolarHBondContact NZ-O 3.01Å; P1380-D1382 VanDerWaalsContact C-N 3.28Å; P1380-D1382 PolarHBondContact O-N 3.33Å
1383S45Very low49.9Very low64 Ų6478.7 Ų78.745%0.44843%0.425SS..  trans-43.6146.1-159.560.20000114.7K1323 V1385K1323-S1383 PolarHBondContact NZ-O 2.91Å; S1383-V1385 PolarHBondContact O-N 2.91Å
1384F43.2Very low49.7Very low51 Ų5176.8 Ų76.822%0.22443%0.425CS..SBendtrans-61.43178.7-64.1-82.3000115.3L1920F1384-L1920 HydrophobicContact CE1-CB 4.04Å; F1384-L1920 HydrophobicContact CZ-CB 3.89Å
1385V46Very low49.5Very low43 Ų4372.9 Ų72.926%0.26140%0.401SS..SBendtrans-107.6115.2174.5-176.60000108.2S1383 E1387 R1791S1383-V1385 PolarHBondContact O-N 2.91Å; V1385-E1387 PolarHBondContact O-N 2.88Å; V1385-R1791 HydrophobicContact CG2-CG 4.19Å
1386P39.7Very low49.8Very low23 Ų2377.7 Ų77.715%0.14943%0.427CS..  trans-60122.9170.79.7-17.1000111.4Q1316 Q1319 V1388Q1316-P1386 HydrophobicContact CG-CG 3.63Å; Q1319-P1386 VanDerWaalsContact OE1-CB 3.32Å; P1386-V1388 VanDerWaalsContact C-N 3.31Å; P1386-V1388 HydrophobicContact CB-CG2 4.22Å; P1386-V1388 PolarHBondContact O-N 3.09Å; P1386-V1388 VanDerWaalsContact O-N 3.12Å
1387E44.5Very low50.5Low116 Ų11676.3 Ų76.354%0.54241%0.412SS..  trans-76.989.6157.2-61.9-144.1151.600108.2V1385 D1389 K1489V1385-E1387 PolarHBondContact O-N 2.88Å; E1387-D1389 PolarHBondContact O-N 3.27Å; E1387-D1389 VanDerWaalsContact O-N 3.17Å; E1387-K1489 IonicContact OE1-NZ 3.92Å; E1387-K1489 PolarHBondContact OE1-NZ 2.9Å; E1387-K1489 IonicContact OE2-NZ 3.38Å; E1387-K1489 PolarHBondContact OE2-NZ 3.39Å
1388V48.9Very low51.4Low36 Ų3671.9 Ų71.922%0.21839%0.389CS..SBendtrans-62.8117.8174.7-169.50000108.1P1386P1386-V1388 VanDerWaalsContact C-N 3.31Å; P1386-V1388 HydrophobicContact CB-CG2 4.22Å; P1386-V1388 PolarHBondContact O-N 3.09Å; P1386-V1388 VanDerWaalsContact O-N 3.12Å
1389D47.2Very low52.3Low57 Ų5772.9 Ų72.931%0.30539%0.393SS..  trans74.365.9179.7-46.6-45.4000118.4E1387 K1391 A1392 R1492E1387-D1389 PolarHBondContact O-N 3.27Å; E1387-D1389 VanDerWaalsContact O-N 3.17Å; D1389-K1391 PolarHBondContact O-N 2.82Å; D1389-A1392 HydrophobicContact CB-CB 3.97Å; D1389-A1392 PolarHBondContact O-N 3.44Å; D1389-A1392 VanDerWaalsContact O-N 3.11Å; D1389-R1492 IonicContact OD2-NH1 3.46Å; D1389-R1492 PolarHBondContact OD2-NH1 2.73Å; D1389-R1492 VanDerWaalsContact OD2-NH1 3.16Å
1390P47.5Very low53.5Low91 Ų9166.9 Ų66.959%0.59137%0.368SS*.THydrogen-bonded Turntrans-57.2-27174.824.2-34.4000113.5
1391K45.8Very low54.7Low202 Ų20266.3 Ų66.388%0.87837%0.37SS*.THydrogen-bonded Turntrans-78.2-21.8-179.6-68.3178.6179.7171.40114.5D1389D1389-K1391 PolarHBondContact O-N 2.82Å
1392A47.4Very low56.2Low54 Ų5465.7 Ų65.745%0.44636%0.364SS..THydrogen-bonded Turntrans-91.5-16.2-174.400000113.7D1389D1389-A1392 HydrophobicContact CB-CB 3.97Å; D1389-A1392 PolarHBondContact O-N 3.44Å; D1389-A1392 VanDerWaalsContact O-N 3.11Å
1393T52.9Low57.8Low43 Ų4360.1 Ų60.126%0.26433%0.334SS..SBendtrans-127.612.3-176.754.50000114.7V1485T1393-V1485 WeakPolarHBondContact O-CG1 3.3Å
1394A56.9Low59.4Low52 Ų5262.7 Ų62.743%0.4334%0.341SS..  trans-65.2145.1174.700000112.3D1396A1394-D1396 PolarHBondContact O-N 2.88Å
1395Y63.8Low61Low43 Ų4363.5 Ų63.517%0.16934%0.342CS..  trans-94.386.4175.2-171.3-108.4000110.5R1397 S1478 D1481 L1482Y1395-R1397 HydrophobicContact CE1-CB 3.87Å; Y1395-R1397 PolarHBondContact O-N 2.92Å; Y1395-S1478 VanDerWaalsContact OH-CA 3.29Å; Y1395-S1478 WeakPolarHBondContact OH-CA 3.5Å; Y1395-S1478 WeakPolarHBondContact OH-CB 3.41Å; Y1395-S1478 PolarHBondContact OH-O 2.98Å; Y1395-S1478 PolarHBondContact OH-OG 2.94Å; Y1395-D1481 HydrophobicContact CE2-CB 4.09Å; Y1395-L1482 HydrophobicContact CD1-CD1 4.49Å; Y1395-L1482 HydrophobicContact CD2-CD1 4.46Å; Y1395-L1482 HydrophobicContact CE2-CB 4.37Å; Y1395-L1482 HydrophobicContact CG-CD1 4.21Å
1396D66.3Low62.4Low122 Ų12261.5 Ų61.565%0.65233%0.331SS*.  trans-72.425.2-171.8-66.6-14.1000115.5A1394 R1433A1394-D1396 PolarHBondContact O-N 2.88Å; D1396-R1433 VanDerWaalsContact C-NH1 3.28Å; D1396-R1433 PolarHBondContact O-NH1 3.09Å; D1396-R1433 VanDerWaalsContact O-NH1 3.09Å
1397R71.2Confident64.2Low97 Ų9760.6 Ų60.637%0.36633%0.325SS..SBendtrans-130.9168.1-176.8-63.9179.9-176.8161.34.6111.8Y1395 D1399 R1433 D1481Y1395-R1397 HydrophobicContact CE1-CB 3.87Å; Y1395-R1397 PolarHBondContact O-N 2.92Å; R1397-D1399 PolarHBondContact O-N 2.91Å; R1397-R1433 PolarHBondContact O-NH2 2.96Å; R1397-D1481 IonicContact CZ-OD2 2.72Å; R1397-D1481 IonicContact NH1-OD2 3.21Å; R1397-D1481 PolarHBondContact NH1-OD2 3.08Å
1398L70.3Confident65.7Low1 Ų157.1 Ų57.11%0.00531%0.312CS..  trans-64.3129172.7-74.586.9000110.9Q1402 I1403 V1421 D1425 R1433 A1437 S1478L1398-Q1402 HydrophobicContact CB-CB 4.41Å; L1398-Q1402 HydrophobicContact CD2-CB 4.46Å; L1398-I1403 HydrophobicContact CB-CD1 4.19Å; L1398-I1403 HydrophobicContact CB-CG1 3.71Å; L1398-V1421 HydrophobicContact CD2-CG2 4.42Å; L1398-D1425 WeakPolarHBondContact CD1-OD1 3.32Å; L1398-D1425 PolarHBondContact N-OD1 3.26Å; L1398-R1433 HydrophobicContact CD1-CG 3.63Å; L1398-R1433 HydrophobicContact CG-CG 4.07Å; L1398-A1437 HydrophobicContact CD2-CB 3.93Å; L1398-S1478 PolarHBondContact O-OG 3.28Å
1399D71.2Confident66.8Low66 Ų6657.6 Ų57.635%0.35332%0.32SS..  trans-61.4151.1175.2-80.4-31.4000111.4R1397 G1401 Q1402 I1403R1397-D1399 PolarHBondContact O-N 2.91Å; D1399-G1401 PolarHBondContact O-N 3.05Å; D1399-G1401 VanDerWaalsContact O-N 3.09Å; D1399-Q1402 HydrophobicContact CB-CB 4.41Å; D1399-Q1402 HydrophobicContact CB-CG 4.19Å; D1399-Q1402 PolarHBondContact O-N 2.88Å; D1399-I1403 WeakPolarHBondContact O-CG1 3.26Å; D1399-I1403 PolarHBondContact O-N 3.42Å
1400P75.3Confident68Low33 Ų3355.9 Ų55.921%0.21431%0.31CS..Hα-helixtrans-51.2-35.5172.9-26.734.8000113.2M1404 A1479P1400-M1404 WeakPolarHBondContact O-CB 3.35Å; P1400-M1404 PolarHBondContact O-N 2.63Å; P1400-A1479 HydrophobicContact CG-CB 4.33Å
1401G74.3Confident69.1Low32 Ų3255.8 Ų55.833%0.3330%0.304SS..Hα-helixtrans-68.8-38.4174.900000114.2D1399 M1404 Y1405D1399-G1401 PolarHBondContact O-N 3.05Å; D1399-G1401 VanDerWaalsContact O-N 3.09Å; G1401-M1404 PolarHBondContact O-N 2.89Å; G1401-Y1405 PolarHBondContact O-N 2.88Å
1402Q76.6Confident70.4Confident33 Ų3350.8 Ų50.815%0.15429%0.287CS..Hα-helixtrans-69.2-41.8175.8-70176.2-17.200111.3L1398 D1399 M1404 Y1405 A1406 Y1991L1398-Q1402 HydrophobicContact CB-CB 4.41Å; L1398-Q1402 HydrophobicContact CD2-CB 4.46Å; D1399-Q1402 HydrophobicContact CB-CB 4.41Å; D1399-Q1402 HydrophobicContact CB-CG 4.19Å; D1399-Q1402 PolarHBondContact O-N 2.88Å; Q1402-M1404 VanDerWaalsContact C-N 3.3Å; Q1402-M1404 PolarHBondContact O-N 2.96Å; Q1402-Y1405 PolarHBondContact O-N 3.01Å; Q1402-A1406 PolarHBondContact O-N 2.83Å; Q1402-Y1991 HydrophobicContact CG-CE1 4.37Å
1403I80.9Confident71.6Confident4 Ų451.2 Ų51.22%0.02128%0.281CS..Hα-helixtrans-60.3-41.9173.9-64.2173.7000110.5L1398 D1399 A1407 V1421 F1471L1398-I1403 HydrophobicContact CB-CD1 4.19Å; L1398-I1403 HydrophobicContact CB-CG1 3.71Å; D1399-I1403 WeakPolarHBondContact O-CG1 3.26Å; D1399-I1403 PolarHBondContact O-N 3.42Å; I1403-A1407 WeakPolarHBondContact O-CB 3.42Å; I1403-A1407 PolarHBondContact O-N 3.3Å; I1403-V1421 HydrophobicContact CD1-CG1 4.21Å; I1403-V1421 HydrophobicContact CG1-CG1 4.08Å; I1403-V1421 HydrophobicContact CG1-CG2 4.34Å; I1403-V1421 HydrophobicContact CG2-CG2 4.4Å; I1403-F1471 HydrophobicContact CG2-CD2 4.47Å; I1403-F1471 HydrophobicContact CG2-CE2 3.6Å; I1403-F1471 HydrophobicContact CG2-CZ 3.98Å
1404M77.5Confident72.8Confident118 Ų11850.6 Ų50.658%0.58128%0.276SS*.Hα-helixtrans-66.6-42.5176.1-172.7175.670.100112.2P1400 G1401 Q1402 A1407 T1408P1400-M1404 WeakPolarHBondContact O-CB 3.35Å; P1400-M1404 PolarHBondContact O-N 2.63Å; G1401-M1404 PolarHBondContact O-N 2.89Å; Q1402-M1404 VanDerWaalsContact C-N 3.3Å; Q1402-M1404 PolarHBondContact O-N 2.96Å; M1404-A1407 PolarHBondContact O-N 3.34Å; M1404-T1408 PolarHBondContact O-N 3.29Å; M1404-T1408 PolarHBondContact O-OG1 3.36Å
1405Y77.5Confident73.5Confident67 Ų6750.3 Ų50.326%0.26327%0.274SS..Hα-helixtrans-58.8-49.3175.4-178.7-92.2000111.2G1401 Q1402 A1407 T1408 A1409 V1438 Y1991G1401-Y1405 PolarHBondContact O-N 2.88Å; Q1402-Y1405 PolarHBondContact O-N 3.01Å; Y1405-A1407 VanDerWaalsContact C-N 3.31Å; Y1405-A1407 PolarHBondContact O-N 3.46Å; Y1405-T1408 WeakPolarHBondContact CA-OG1 3.42Å; Y1405-T1408 PolarHBondContact O-N 2.91Å; Y1405-T1408 VanDerWaalsContact O-N 3.09Å; Y1405-T1408 PolarHBondContact O-OG1 2.85Å; Y1405-A1409 PolarHBondContact O-N 2.85Å; Y1405-V1438 HydrophobicContact CD1-CG2 4.2Å; Y1405-V1438 HydrophobicContact CE1-CG2 4.14Å; Y1405-Y1991 HydrophobicContact CD1-CD1 4.11Å; Y1405-Y1991 AromaticContact CD2-CD1 3.82Å; Y1405-Y1991 HydrophobicContact CD2-CD1 3.82Å; Y1405-Y1991 HydrophobicContact CD2-CG 4.47Å; Y1405-Y1991 HydrophobicContact CE2-CD1 4.28Å; Y1405-Y1991 AromaticContact CG-CD1 3.72Å; Y1405-Y1991 HydrophobicContact CG-CD1 3.72Å; Y1405-Y1991 HydrophobicContact CG-CE1 4.36Å; Y1405-Y1991 PolarHBondContact OH-O 3.47Å
1406A75.4Confident74Confident2 Ų252.3 Ų52.32%0.01728%0.283CS..Hα-helixtrans-57.3-42.6175.100000112Q1402 T1408 A1409 H1410 A1437 V1438Q1402-A1406 PolarHBondContact O-N 2.83Å; A1406-T1408 VanDerWaalsContact C-N 3.34Å; A1406-T1408 PolarHBondContact O-N 3.25Å; A1406-A1409 PolarHBondContact O-N 3.34Å; A1406-H1410 PolarHBondContact O-CD2 3.38Å; A1406-H1410 PolarHBondContact O-N 3Å; A1406-H1410 VanDerWaalsContact O-N 3.08Å; A1406-A1437 HydrophobicContact CB-CB 4.25Å; A1406-V1438 HydrophobicContact CB-CG2 4.43Å
1407A76.7Confident74.5Confident4 Ų446.5 Ų46.53%0.03325%0.253CS..Hα-helixtrans-61.7-38175.100000113.5I1403 M1404 Y1405 L1412 T1417 F1471I1403-A1407 WeakPolarHBondContact O-CB 3.42Å; I1403-A1407 PolarHBondContact O-N 3.3Å; M1404-A1407 PolarHBondContact O-N 3.34Å; Y1405-A1407 VanDerWaalsContact C-N 3.31Å; Y1405-A1407 PolarHBondContact O-N 3.46Å; A1407-L1412 WeakPolarHBondContact O-CA 3.49Å; A1407-L1412 PolarHBondContact O-N 2.93Å; A1407-T1417 HydrophobicContact CB-CG2 4.34Å; A1407-F1471 HydrophobicContact CB-CE2 3.8Å; A1407-F1471 HydrophobicContact CB-CZ 3.69Å
1408T76.6Confident74.9Confident43 Ų4343 Ų4326%0.26424%0.242SC..Hα-helixtrans-75-2817557.40000113.8M1404 Y1405 A1406M1404-T1408 PolarHBondContact O-N 3.29Å; M1404-T1408 PolarHBondContact O-OG1 3.36Å; Y1405-T1408 WeakPolarHBondContact CA-OG1 3.42Å; Y1405-T1408 PolarHBondContact O-N 2.91Å; Y1405-T1408 VanDerWaalsContact O-N 3.09Å; Y1405-T1408 PolarHBondContact O-OG1 2.85Å; A1406-T1408 VanDerWaalsContact C-N 3.34Å; A1406-T1408 PolarHBondContact O-N 3.25Å
1409A71.8Confident75.3Confident46 Ų4649.5 Ų49.538%0.3827%0.272SS..Hα-helixtrans-70.9-38175.900000111.9Y1405 A1406 D1411 V1438Y1405-A1409 PolarHBondContact O-N 2.85Å; A1406-A1409 PolarHBondContact O-N 3.34Å; A1409-D1411 PolarHBondContact O-N 3.44Å; A1409-V1438 HydrophobicContact CB-CG1 3.96Å
1410H72.2Confident75.6Confident21 Ų2147.4 Ų47.410%0.09726%0.26CS..THydrogen-bonded Turntrans-84.127176.2-67.5-62.2000114A1406 L1412 D1413 T1417 Q1420 A1437 V1438A1406-H1410 PolarHBondContact O-CD2 3.38Å; A1406-H1410 PolarHBondContact O-N 3Å; A1406-H1410 VanDerWaalsContact O-N 3.08Å; H1410-L1412 PolarHBondContact O-N 2.92Å; H1410-D1413 WeakPolarHBondContact O-CB 3.44Å; H1410-D1413 PolarHBondContact O-N 2.8Å; H1410-T1417 HydrophobicContact CB-CG2 3.58Å; H1410-Q1420 PolarHBondContact CE1-NE2 3.39Å; H1410-Q1420 PolarHBondContact CE1-OE1 3.39Å; H1410-Q1420 PolarHBondContact NE2-NE2 3.15Å; H1410-Q1420 PolarHBondContact NE2-OE1 3.47Å; H1410-A1437 PolarHBondContact NE2-O 3.34Å; H1410-V1438 PolarHBondContact CE1-O 3.5Å; H1410-V1438 PolarHBondContact NE2-O 2.72Å
1411D70.4Confident75.8Confident88 Ų8846 Ų4647%0.47125%0.251SS..THydrogen-bonded Turntrans48.635.2178.5-1042.4000113.4A1409 K2001A1409-D1411 PolarHBondContact O-N 3.44Å; D1411-K2001 PolarHBondContact OD1-N 2.93Å
1412L72.3Confident76Confident98 Ų9851.1 Ų51.151%0.51326%0.264SS..THydrogen-bonded Turntrans64.929.2-175-57.9169.7000115.7A1407 H1410 L1414 L2002A1407-L1412 WeakPolarHBondContact O-CA 3.49Å; A1407-L1412 PolarHBondContact O-N 2.93Å; H1410-L1412 PolarHBondContact O-N 2.92Å; L1412-L1414 VanDerWaalsContact C-N 3.33Å; L1412-L1414 PolarHBondContact O-N 2.92Å; L1412-L2002 HydrophobicContact CD1-CD1 4.09Å
1413D73.7Confident76.1Confident62 Ų6256 Ų5633%0.33229%0.285SS..  trans-73.185.6166.2-165.8-25.4000111.3H1410 A1415 K1416 T1417H1410-D1413 WeakPolarHBondContact O-CB 3.44Å; H1410-D1413 PolarHBondContact O-N 2.8Å; D1413-A1415 PolarHBondContact O-N 3.08Å; D1413-A1415 PolarHBondContact OD1-N 2.85Å; D1413-K1416 HydrophobicContact CB-CB 4.24Å; D1413-K1416 HydrophobicContact CB-CD 4.23Å; D1413-K1416 HydrophobicContact CB-CG 4.35Å; D1413-K1416 PolarHBondContact O-N 3.35Å; D1413-K1416 PolarHBondContact OD1-N 2.84Å; D1413-K1416 VanDerWaalsContact OD2-CD 3.27Å; D1413-K1416 WeakPolarHBondContact OD2-CD 3.3Å; D1413-K1416 WeakPolarHBondContact OD2-CE 3.44Å; D1413-K1416 WeakPolarHBondContact OD2-CG 3.49Å; D1413-T1417 WeakPolarHBondContact O-CB 3.13Å; D1413-T1417 WeakPolarHBondContact O-CG2 3.41Å; D1413-T1417 PolarHBondContact O-N 3.48Å; D1413-T1417 PolarHBondContact O-OG1 3.07Å
1414L78Confident75.7Confident30 Ų3055.8 Ų55.816%0.15728%0.284CS..Hα-helixtrans-63.9-18.6-177.3-57.9-179.8000113.5L1412 T1417 V1418 T1468 F1471L1412-L1414 VanDerWaalsContact C-N 3.33Å; L1412-L1414 PolarHBondContact O-N 2.92Å; L1414-T1417 VanDerWaalsContact CA-OG1 3.24Å; L1414-T1417 WeakPolarHBondContact CA-OG1 3.46Å; L1414-T1417 PolarHBondContact O-OG1 3.13Å; L1414-V1418 WeakPolarHBondContact O-CB 3.48Å; L1414-V1418 WeakPolarHBondContact O-CG2 3.28Å; L1414-V1418 PolarHBondContact O-N 2.91Å; L1414-T1468 HydrophobicContact CD1-CG2 3.9Å; L1414-T1468 WeakPolarHBondContact CD1-OG1 3.1Å; L1414-F1471 HydrophobicContact CD2-CB 4.4Å; L1414-F1471 HydrophobicContact CD2-CD1 4.02Å; L1414-F1471 HydrophobicContact CD2-CD2 4.08Å; L1414-F1471 HydrophobicContact CD2-CE1 4.31Å; L1414-F1471 HydrophobicContact CD2-CE2 4.36Å; L1414-F1471 HydrophobicContact CD2-CG 3.9Å; L1414-F1471 HydrophobicContact CD2-CZ 4.48Å
1415A71.8Confident75.5Confident46 Ų4652.1 Ų52.138%0.3827%0.267SS..Hα-helixtrans-79.5-50.3176.300000111.2D1413 Q1419D1413-A1415 PolarHBondContact O-N 3.08Å; D1413-A1415 PolarHBondContact OD1-N 2.85Å; A1415-Q1419 WeakPolarHBondContact O-CG 3.49Å; A1415-Q1419 PolarHBondContact O-N 3.19Å
1416K73.8Confident75.4Confident85 Ų8554.4 Ų54.437%0.3729%0.288SS..Hα-helixtrans-58.7-49.7175.7-72.4-176.3-177.9-174.40111.6D1413 V1418 Q1419 Q1420 E1440D1413-K1416 HydrophobicContact CB-CB 4.24Å; D1413-K1416 HydrophobicContact CB-CD 4.23Å; D1413-K1416 HydrophobicContact CB-CG 4.35Å; D1413-K1416 PolarHBondContact O-N 3.35Å; D1413-K1416 PolarHBondContact OD1-N 2.84Å; D1413-K1416 VanDerWaalsContact OD2-CD 3.27Å; D1413-K1416 WeakPolarHBondContact OD2-CD 3.3Å; D1413-K1416 WeakPolarHBondContact OD2-CE 3.44Å; D1413-K1416 WeakPolarHBondContact OD2-CG 3.49Å; K1416-V1418 PolarHBondContact O-N 2.92Å; K1416-Q1419 WeakPolarHBondContact O-CA 3.34Å; K1416-Q1419 WeakPolarHBondContact O-CB 3.3Å; K1416-Q1419 PolarHBondContact O-N 3.19Å; K1416-Q1420 VanDerWaalsContact C-OE1 3.29Å; K1416-Q1420 PolarHBondContact O-N 2.96Å; K1416-Q1420 PolarHBondContact O-OE1 2.88Å; K1416-E1440 IonicContact NZ-OE1 2.97Å; K1416-E1440 PolarHBondContact NZ-OE1 3.2Å
1417T77.6Confident75.4Confident1 Ų156.5 Ų56.51%0.00630%0.298CS..Hα-helixtrans-60.6-42.8-176.553.90000112.9A1407 H1410 D1413 L1414 Q1419 Q1420 V1421A1407-T1417 HydrophobicContact CB-CG2 4.34Å; H1410-T1417 HydrophobicContact CB-CG2 3.58Å; D1413-T1417 WeakPolarHBondContact O-CB 3.13Å; D1413-T1417 WeakPolarHBondContact O-CG2 3.41Å; D1413-T1417 PolarHBondContact O-N 3.48Å; D1413-T1417 PolarHBondContact O-OG1 3.07Å; L1414-T1417 VanDerWaalsContact CA-OG1 3.24Å; L1414-T1417 WeakPolarHBondContact CA-OG1 3.46Å; L1414-T1417 PolarHBondContact O-OG1 3.13Å; T1417-Q1419 VanDerWaalsContact C-N 3.28Å; T1417-Q1419 PolarHBondContact O-N 3.04Å; T1417-Q1420 PolarHBondContact O-N 3.16Å; T1417-V1421 WeakPolarHBondContact O-CB 3.36Å; T1417-V1421 VanDerWaalsContact O-CG2 3.23Å; T1417-V1421 WeakPolarHBondContact O-CG2 3.39Å; T1417-V1421 PolarHBondContact O-N 2.66Å
1418V79.8Confident75Confident24 Ų2465.6 Ų65.615%0.14534%0.337CS..Hα-helixtrans-64.8-31.6176.1170.20000112L1414 K1416 K1422 F1471L1414-V1418 WeakPolarHBondContact O-CB 3.48Å; L1414-V1418 WeakPolarHBondContact O-CG2 3.28Å; L1414-V1418 PolarHBondContact O-N 2.91Å; K1416-V1418 PolarHBondContact O-N 2.92Å; V1418-K1422 WeakPolarHBondContact O-CB 3.47Å; V1418-K1422 VanDerWaalsContact O-CG 3.31Å; V1418-K1422 WeakPolarHBondContact O-CG 3.4Å; V1418-K1422 PolarHBondContact O-N 3.23Å; V1418-F1471 HydrophobicContact CG2-CB 3.82Å; V1418-F1471 HydrophobicContact CG2-CD2 4Å; V1418-F1471 HydrophobicContact CG2-CG 4.43Å
1419Q77.7Confident74.8Confident137 Ų13768.8 Ų68.864%0.6435%0.352SS*.Hα-helixtrans-73.5-43.9173.6-67.3-178.4-000112.1A1415 K1416 T1417 K1422 K1423A1415-Q1419 WeakPolarHBondContact O-CG 3.49Å; A1415-Q1419 PolarHBondContact O-N 3.19Å; K1416-Q1419 WeakPolarHBondContact O-CA 3.34Å; K1416-Q1419 WeakPolarHBondContact O-CB 3.3Å; K1416-Q1419 PolarHBondContact O-N 3.19Å; T1417-Q1419 VanDerWaalsContact C-N 3.28Å; T1417-Q1419 PolarHBondContact O-N 3.04Å; Q1419-K1422 PolarHBondContact O-N 2.93Å; Q1419-K1423 PolarHBondContact O-N 3.4Å
1420Q77.5Confident74.5Confident21 Ų2170 Ų7010%0.09836%0.357CS..Hα-helixtrans-67.3-42178.6-78.5158.4-51.800112.4H1410 K1416 T1417 K1422 K1423 G1424 S1439H1410-Q1420 PolarHBondContact CE1-NE2 3.39Å; H1410-Q1420 PolarHBondContact CE1-OE1 3.39Å; H1410-Q1420 PolarHBondContact NE2-NE2 3.15Å; H1410-Q1420 PolarHBondContact NE2-OE1 3.47Å; K1416-Q1420 VanDerWaalsContact C-OE1 3.29Å; K1416-Q1420 PolarHBondContact O-N 2.96Å; K1416-Q1420 PolarHBondContact O-OE1 2.88Å; T1417-Q1420 PolarHBondContact O-N 3.16Å; Q1420-K1422 VanDerWaalsContact C-N 3.31Å; Q1420-K1422 PolarHBondContact O-N 3.16Å; Q1420-K1423 CarbonylContact O-C 3.46Å; Q1420-K1423 WeakPolarHBondContact O-CB 3.4Å; Q1420-K1423 PolarHBondContact O-N 3.21Å; Q1420-G1424 PolarHBondContact O-N 3.1Å; Q1420-S1439 PolarHBondContact NE2-O 2.9Å
1421V79.3Confident74.3Confident4 Ų474.2 Ų74.22%0.02438%0.38CS..Hα-helixtrans-61.3-39174169.90000111.3L1398 I1403 T1417 K1423 G1424 D1425L1398-V1421 HydrophobicContact CD2-CG2 4.42Å; I1403-V1421 HydrophobicContact CD1-CG1 4.21Å; I1403-V1421 HydrophobicContact CG1-CG1 4.08Å; I1403-V1421 HydrophobicContact CG1-CG2 4.34Å; I1403-V1421 HydrophobicContact CG2-CG2 4.4Å; T1417-V1421 WeakPolarHBondContact O-CB 3.36Å; T1417-V1421 VanDerWaalsContact O-CG2 3.23Å; T1417-V1421 WeakPolarHBondContact O-CG2 3.39Å; T1417-V1421 PolarHBondContact O-N 2.66Å; V1421-K1423 VanDerWaalsContact C-N 3.3Å; V1421-K1423 PolarHBondContact O-N 2.95Å; V1421-G1424 PolarHBondContact O-N 2.03Å; V1421-D1425 PolarHBondContact O-N 3.43Å
1422K78.2Confident74.4Confident140 Ų14071.8 Ų71.861%0.60937%0.37SS*.Hα-helixtrans-64.6-30.3173.6-80.9179.7177.1-173.50113.6V1418 Q1419 Q1420V1418-K1422 WeakPolarHBondContact O-CB 3.47Å; V1418-K1422 VanDerWaalsContact O-CG 3.31Å; V1418-K1422 WeakPolarHBondContact O-CG 3.4Å; V1418-K1422 PolarHBondContact O-N 3.23Å; Q1419-K1422 PolarHBondContact O-N 2.93Å; Q1420-K1422 VanDerWaalsContact C-N 3.31Å; Q1420-K1422 PolarHBondContact O-N 3.16Å
1423K78.7Confident74.6Confident134 Ų13468.5 Ų68.558%0.58335%0.351SS*.Hα-helixtrans-75.7-40.2171.6-69.4-178.1178.2-176.40111.3Q1419 Q1420 V1421 D1425 T1426Q1419-K1423 PolarHBondContact O-N 3.4Å; Q1420-K1423 CarbonylContact O-C 3.46Å; Q1420-K1423 WeakPolarHBondContact O-CB 3.4Å; Q1420-K1423 PolarHBondContact O-N 3.21Å; V1421-K1423 VanDerWaalsContact C-N 3.3Å; V1421-K1423 PolarHBondContact O-N 2.95Å; K1423-D1425 PolarHBondContact O-N 3.16Å; K1423-T1426 PolarHBondContact O-N 2.74Å; K1423-T1426 PolarHBondContact O-OG1 3.15Å
1424G73.2Confident74.5Confident0 Ų066.1 Ų66.10%034%0.34CS..Hα-helixtrans-60.4-43.9175.300000112.6Q1420 V1421 T1426 I1427 R1433Q1420-G1424 PolarHBondContact O-N 3.1Å; V1421-G1424 PolarHBondContact O-N 2.03Å; G1424-T1426 PolarHBondContact O-N 3.34Å; G1424-I1427 PolarHBondContact O-N 3.27Å; G1424-R1433 WeakPolarHBondContact O-CD 3.45Å; G1424-R1433 VanDerWaalsContact O-CG 3.28Å; G1424-R1433 WeakPolarHBondContact O-CG 3.28Å
1425D73Confident74.3Confident41 Ų4168.7 Ų68.722%0.21935%0.353CS..THydrogen-bonded Turntrans-57.4-13.9178-82.4-23.3000114.5L1398 V1421 K1423 K1474L1398-D1425 WeakPolarHBondContact CD1-OD1 3.32Å; L1398-D1425 PolarHBondContact N-OD1 3.26Å; V1421-D1425 PolarHBondContact O-N 3.43Å; K1423-D1425 PolarHBondContact O-N 3.16Å; D1425-K1474 VanDerWaalsContact OD2-CE 3.3Å; D1425-K1474 WeakPolarHBondContact OD2-CE 3.39Å; D1425-K1474 IonicContact OD2-NZ 3.58Å; D1425-K1474 PolarHBondContact OD2-NZ 2.56Å
1426T75.7Confident74.4Confident116 Ų11669.6 Ų69.671%0.71235%0.351SS*.THydrogen-bonded Turntrans-90.8-6.5175.963.30000114.2K1423 G1424K1423-T1426 PolarHBondContact O-N 2.74Å; K1423-T1426 PolarHBondContact O-OG1 3.15Å; G1424-T1426 PolarHBondContact O-N 3.34Å
1427I74.6Confident74.2Confident45 Ų4565.7 Ų65.723%0.23133%0.334CS..  trans-102.4134.9-171.6-56.5179.5000110G1424 S1432 R1433 I1436G1424-I1427 PolarHBondContact O-N 3.27Å; I1427-S1432 VanDerWaalsContact CG2-OG 3.28Å; I1427-S1432 WeakPolarHBondContact CG2-OG 3.26Å; I1427-R1433 HydrophobicContact CB-CB 4.23Å; I1427-R1433 HydrophobicContact CG2-CB 4.39Å; I1427-I1436 HydrophobicContact CD1-CB 4.35Å; I1427-I1436 HydrophobicContact CD1-CD1 3.37Å; I1427-I1436 HydrophobicContact CD1-CG1 4.44Å; I1427-I1436 HydrophobicContact CD1-CG2 4.31Å
1428K69Low73.8Confident196 Ų19666.1 Ų66.185%0.85234%0.337SS*.SBendtrans-78.9-41.6-177.2-68.9-174.1177.8-178.10113.3
1429D71.7Confident73.3Confident109 Ų10967.1 Ų67.158%0.58335%0.345SS*.SBendtrans-75.3127.9-176.5-54.2-36.3000110.4D1431 S1432 R1433D1429-D1431 PolarHBondContact O-N 3.31Å; D1429-S1432 PolarHBondContact O-OG 2.86Å; D1429-R1433 WeakPolarHBondContact O-CB 3.5Å; D1429-R1433 PolarHBondContact O-N 3.38Å
1430P66.4Low72.4Confident72 Ų7266.2 Ų66.247%0.46834%0.341SS..Hα-helixtrans-65.6-37.7-171.724.9-33.7000112.9R1433 A1434P1430-R1433 WeakPolarHBondContact O-CB 3.37Å; P1430-A1434 WeakPolarHBondContact O-CB 3.46Å; P1430-A1434 PolarHBondContact O-N 3.15Å
1431D67.5Low71.1Confident109 Ų10970.8 Ų70.858%0.58337%0.373SS*.Hα-helixtrans-71.7-43.9-174.8-58.2-13.3000111.6D1429 A1434 L1435D1429-D1431 PolarHBondContact O-N 3.31Å; D1431-A1434 PolarHBondContact O-N 3.02Å; D1431-L1435 WeakPolarHBondContact O-CB 3.39Å; D1431-L1435 PolarHBondContact O-N 3.22Å
1432S73.4Confident69.4Low38 Ų3880.1 Ų80.127%0.26642%0.416SS..Hα-helixtrans-71.2-34.9176.767.20000111.6I1427 D1429 A1434 L1435 I1436I1427-S1432 VanDerWaalsContact CG2-OG 3.28Å; I1427-S1432 WeakPolarHBondContact CG2-OG 3.26Å; D1429-S1432 PolarHBondContact O-OG 2.86Å; S1432-A1434 PolarHBondContact O-N 3.28Å; S1432-L1435 PolarHBondContact O-N 3.28Å; S1432-I1436 WeakPolarHBondContact O-CB 3.4Å; S1432-I1436 WeakPolarHBondContact O-CG1 3.42Å; S1432-I1436 PolarHBondContact O-N 3.41Å
1433R75.7Confident67.6Low28 Ų2878.1 Ų78.111%0.10643%0.425CS..Hα-helixtrans-58-43.5169.9174.1169.582.5-177.77.9112.4D1396 R1397 L1398 G1424 I1427 D1429 P1430 A1437D1396-R1433 VanDerWaalsContact C-NH1 3.28Å; D1396-R1433 PolarHBondContact O-NH1 3.09Å; D1396-R1433 VanDerWaalsContact O-NH1 3.09Å; R1397-R1433 PolarHBondContact O-NH2 2.96Å; L1398-R1433 HydrophobicContact CD1-CG 3.63Å; L1398-R1433 HydrophobicContact CG-CG 4.07Å; G1424-R1433 WeakPolarHBondContact O-CD 3.45Å; G1424-R1433 VanDerWaalsContact O-CG 3.28Å; G1424-R1433 WeakPolarHBondContact O-CG 3.28Å; I1427-R1433 HydrophobicContact CB-CB 4.23Å; I1427-R1433 HydrophobicContact CG2-CB 4.39Å; D1429-R1433 WeakPolarHBondContact O-CB 3.5Å; D1429-R1433 PolarHBondContact O-N 3.38Å; P1430-R1433 WeakPolarHBondContact O-CB 3.37Å; R1433-A1437 PolarHBondContact O-N 3Å
1434A72.2Confident65.4Low12 Ų1283.6 Ų83.610%0.09944%0.442CS..Hα-helixtrans-69.8-44.717600000112P1430 D1431 S1432 I1436 A1437 V1438 P1992P1430-A1434 WeakPolarHBondContact O-CB 3.46Å; P1430-A1434 PolarHBondContact O-N 3.15Å; D1431-A1434 PolarHBondContact O-N 3.02Å; S1432-A1434 PolarHBondContact O-N 3.28Å; A1434-I1436 PolarHBondContact O-N 3.27Å; A1434-A1437 WeakPolarHBondContact O-CB 3.4Å; A1434-A1437 PolarHBondContact O-N 3.28Å; A1434-V1438 WeakPolarHBondContact O-CG2 3.39Å; A1434-P1992 HydrophobicContact CB-CG 4.46Å
1435L73Confident63.7Low85 Ų8593.4 Ų93.445%0.44549%0.485SS..Hα-helixtrans-60.1-47.1-179.9-17369.8000112.3D1431 S1432 A1437 V1438 S1439 P1992D1431-L1435 WeakPolarHBondContact O-CB 3.39Å; D1431-L1435 PolarHBondContact O-N 3.22Å; S1432-L1435 PolarHBondContact O-N 3.28Å; L1435-A1437 VanDerWaalsContact C-N 3.27Å; L1435-A1437 PolarHBondContact O-N 2.93Å; L1435-V1438 PolarHBondContact O-N 2.93Å; L1435-S1439 PolarHBondContact O-N 2.83Å; L1435-S1439 PolarHBondContact O-OG 2.88Å; L1435-P1992 HydrophobicContact CB-CG 4.41Å; L1435-P1992 HydrophobicContact CD1-CB 4.14Å; L1435-P1992 HydrophobicContact CD1-CG 4.21Å
1436I73.8Confident61.9Low65 Ų6597.6 Ų97.633%0.33351%0.514SS..Hα-helixtrans-69.1-24.9-178.6-72.6164.3000112.2I1427 S1432 A1434 V1438I1427-I1436 HydrophobicContact CD1-CB 4.35Å; I1427-I1436 HydrophobicContact CD1-CD1 3.37Å; I1427-I1436 HydrophobicContact CD1-CG1 4.44Å; I1427-I1436 HydrophobicContact CD1-CG2 4.31Å; S1432-I1436 WeakPolarHBondContact O-CB 3.4Å; S1432-I1436 WeakPolarHBondContact O-CG1 3.42Å; S1432-I1436 PolarHBondContact O-N 3.41Å; A1434-I1436 PolarHBondContact O-N 3.27Å; I1436-V1438 PolarHBondContact O-N 2.89Å
1437A70.1Confident59.9Low2 Ų296.1 Ų96.12%0.01752%0.522CS..Hα-helixtrans-68.4-20.8170.900000112.9L1398 A1406 H1410 R1433 A1434 L1435L1398-A1437 HydrophobicContact CD2-CB 3.93Å; A1406-A1437 HydrophobicContact CB-CB 4.25Å; H1410-A1437 PolarHBondContact NE2-O 3.34Å; R1433-A1437 PolarHBondContact O-N 3Å; A1434-A1437 WeakPolarHBondContact O-CB 3.4Å; A1434-A1437 PolarHBondContact O-N 3.28Å; L1435-A1437 VanDerWaalsContact C-N 3.27Å; L1435-A1437 PolarHBondContact O-N 2.93Å
1438V70.4Confident57.9Low10 Ų1097.4 Ų97.46%0.06155%0.547CS..Hα-helixtrans-108.7-25.5-173.1-178.70000113.3Y1405 A1406 A1409 H1410 A1434 L1435 I1436 P1994Y1405-V1438 HydrophobicContact CD1-CG2 4.2Å; Y1405-V1438 HydrophobicContact CE1-CG2 4.14Å; A1406-V1438 HydrophobicContact CB-CG2 4.43Å; A1409-V1438 HydrophobicContact CB-CG1 3.96Å; H1410-V1438 PolarHBondContact CE1-O 3.5Å; H1410-V1438 PolarHBondContact NE2-O 2.72Å; A1434-V1438 WeakPolarHBondContact O-CG2 3.39Å; L1435-V1438 PolarHBondContact O-N 2.93Å; I1436-V1438 PolarHBondContact O-N 2.89Å; V1438-P1994 HydrophobicContact CG1-CG 4.03Å
1439S68.3Low56.3Low46 Ų4695.1 Ų95.132%0.32255%0.549SS..PPolyproline II helixtrans-79.9140.8-179.558.80000114.9Q1420 L1435Q1420-S1439 PolarHBondContact NE2-O 2.9Å; L1435-S1439 PolarHBondContact O-N 2.83Å; L1435-S1439 PolarHBondContact O-OG 2.88Å
1440E58.8Low54.4Low117 Ų11798.8 Ų98.855%0.54756%0.563SS.*PPolyproline II helixtrans-78.3148.9165.1-69.4-160.6128.400111.8K1416K1416-E1440 IonicContact NZ-OE1 2.97Å; K1416-E1440 PolarHBondContact NZ-OE1 3.2Å
1441P49.2Very low52.8Low118 Ų118104.8 Ų104.877%0.76659%0.585SS**PPolyproline II helixtrans-76.8150.5179.931.4-35.1000113.7
1442E44.8Very low51.1Low200 Ų200106.1 Ų106.194%0.93560%0.597SS**PPolyproline II helixtrans-65.2157.6-173.3-60.9-177.7139.200115.4
1443A40Very low49.1Very low97 Ų97110.3 Ų110.380%0.80262%0.617SS**PPolyproline II helixtrans-82.1148.9-168.400000115.6
1444R32.4Very low46.8Very low249 Ų249112.3 Ų112.394%0.9465%0.645SS**  trans-4.2120.2165.1-69.5175.4170.2164.5-5117.7
1445K37.7Very low44.9Very low207 Ų207119.9 Ų119.990%0.969%0.685SS**  trans-79.4137.8154.4-71.1-175.3176.3-178.10110.6
1446P34.7Very low43.1Very low128 Ų128124.4 Ų124.483%0.83170%0.703SS**  trans-91.114217434.4-32.1000112.7
1447G34.1Very low41.4Very low86 Ų86128.7 Ų128.789%0.88773%0.727SS**  trans96.4120.6166.500000115.8
1448G33.4Very low39.9Very low72 Ų72138 Ų13874%0.74277%0.77SS**  trans145.962.1170.600000116.6
1449T35Very low38.5Very low148 Ų148144.7 Ų144.791%0.90881%0.805SS**  trans50.7140.6154.5-16.40000121.3
1450E30.7Very low37.3Very low186 Ų186147.4 Ų147.487%0.86982%0.817SS**  trans-87.9131.2-167.4-57.9163.7144.100113.8
1451E32.5Very low36.5Very low197 Ų197150.4 Ų150.492%0.92183%0.828SS**  trans-135.5141.5140-80.2-163.215800109.6
1452T31.7Very low36.2Very low138 Ų138151.8 Ų151.885%0.84783%0.829SS**  trans-83.8121.7-164.747.10000114.4
1453D32Very low36.8Very low126 Ų126144.6 Ų144.667%0.67480%0.8SS**  trans-139.599.6156.1-107-18000107.5R761R761-D1453 IonicContact CZ-OD1 2.9Å; R761-D1453 IonicContact CZ-OD2 3.69Å; R761-D1453 VanDerWaalsContact CZ-OD2 3.23Å; R761-D1453 IonicContact NH1-OD1 2.71Å; R761-D1453 IonicContact NH1-OD2 2.74Å; R761-D1453 PolarHBondContact NH1-OD2 3.32Å; R761-D1453 IonicContact NH2-OD1 2.8Å; R761-D1453 IonicContact NH2-OD2 2.79Å; R761-D1453 PolarHBondContact NH2-OD2 2.8Å
1454G27.6Very low37.6Very low69 Ų69146.5 Ų146.571%0.71179%0.791SS**  trans-150100.7-178.400000112.1
1455D32.1Very low39.2Very low172 Ų172140 Ų14092%0.9278%0.778SS**  trans-173.437.6167.2-105.4-16000112.5
1456E35.9Very low40.8Very low179 Ų179135.5 Ų135.584%0.83676%0.76SS**  trans-106.1-3.5-174.6-68.9-160.1159.400116.6E1458E1456-E1458 PolarHBondContact O-N 2.98Å
1457D38Very low42.4Very low155 Ų155130.4 Ų130.483%0.82973%0.728SS**THydrogen-bonded Turntrans-85.3-5.9-165.3-87-41.3000117.5
1458E39.2Very low44.2Very low198 Ų198128.9 Ų128.993%0.92570%0.701SS**THydrogen-bonded Turntrans-94.6-15.3-179.6-75.2-145141.100116.1E1456 N1460E1456-E1458 PolarHBondContact O-N 2.98Å; E1458-N1460 VanDerWaalsContact C-N 3.27Å; E1458-N1460 PolarHBondContact O-N 3.41Å
1459D41.2Very low46.2Very low150 Ų150128.1 Ų128.180%0.80269%0.688SS**  trans-82.44.5-174.2-89.4-16.8000114.9K1461D1459-K1461 PolarHBondContact O-N 3.26Å
1460N42.8Very low48.4Very low104 Ų104125.9 Ų125.956%0.55667%0.666SS**THydrogen-bonded Turntrans-77.829-163.9-147.2-8.9000116.3E1458 S1463E1458-N1460 VanDerWaalsContact C-N 3.27Å; E1458-N1460 PolarHBondContact O-N 3.41Å; N1460-S1463 PolarHBondContact OD1-OG 3.1Å; N1460-S1463 VanDerWaalsContact OD1-OG 3.06Å
1461K41.6Very low50.8Low179 Ų179118.2 Ų118.278%0.77863%0.63SS**THydrogen-bonded Turntrans-111.6-36.5176.2-80.2178.6176166.40114D1459 S1463D1459-K1461 PolarHBondContact O-N 3.26Å; K1461-S1463 VanDerWaalsContact C-N 3.33Å
1462D42.5Very low53.1Low148 Ų148112.6 Ų112.679%0.79161%0.605SS**THydrogen-bonded Turntrans-79.5-21.9179.8-70.2-5000111.5K1464D1462-K1464 VanDerWaalsContact C-N 3.27Å; D1462-K1464 PolarHBondContact O-N 3.41Å
1463S56.5Low55.5Low48 Ų48112.8 Ų112.834%0.33660%0.596SS.*Hα-helixtrans-59.3-29.2175.462.10000114.5N1460 K1461 E1466 S1467N1460-S1463 PolarHBondContact OD1-OG 3.1Å; N1460-S1463 VanDerWaalsContact OD1-OG 3.06Å; K1461-S1463 VanDerWaalsContact C-N 3.33Å; S1463-E1466 PolarHBondContact O-N 2.88Å; S1463-S1467 PolarHBondContact O-N 3.25Å; S1463-S1467 PolarHBondContact O-OG 3.46Å
1464K57.7Low57.9Low138 Ų138109.7 Ų109.760%0.658%0.577SS**Hα-helixtrans-70.4-33.7-172.5-68.6-168176.3-168.90114D1462 S1467 T1468D1462-K1464 VanDerWaalsContact C-N 3.27Å; D1462-K1464 PolarHBondContact O-N 3.41Å; K1464-S1467 PolarHBondContact O-OG 2.97Å; K1464-S1467 VanDerWaalsContact O-OG 3.11Å; K1464-T1468 WeakPolarHBondContact O-CB 3.36Å; K1464-T1468 PolarHBondContact O-N 2.83Å; K1464-T1468 PolarHBondContact O-OG1 3.36Å
1465V66.1Low60.4Low113 Ų113109.7 Ų109.769%0.68556%0.559SS**Hα-helixtrans-71.8-39.2177.2-178.70000110T1468 A1469V1465-T1468 PolarHBondContact O-N 2.88Å; V1465-A1469 WeakPolarHBondContact O-CB 3.48Å; V1465-A1469 PolarHBondContact O-N 3.47Å
1466E72.3Confident62.8Low111 Ų111105.7 Ų105.752%0.51954%0.537SS..Hα-helixtrans-69.2-40.2177.7-166.6-178.1165.400112.4S1463 A1469 K1470S1463-E1466 PolarHBondContact O-N 2.88Å; E1466-A1469 PolarHBondContact O-N 2.72Å; E1466-K1470 HydrophobicContact CG-CD 4.3Å; E1466-K1470 WeakPolarHBondContact O-CB 3.29Å; E1466-K1470 WeakPolarHBondContact O-CG 3.3Å; E1466-K1470 PolarHBondContact O-N 2.76Å; E1466-K1470 WeakPolarHBondContact OE1-CE 3.24Å; E1466-K1470 IonicContact OE1-NZ 2.64Å; E1466-K1470 PolarHBondContact OE1-NZ 2.81Å
1467S67.6Low65Low21 Ų2198.8 Ų98.815%0.14751%0.511CS..Hα-helixtrans-65.3-39.4173.865.90000111.9S1463 K1464 K1470 F1471S1463-S1467 PolarHBondContact O-N 3.25Å; S1463-S1467 PolarHBondContact O-OG 3.46Å; K1464-S1467 PolarHBondContact O-OG 2.97Å; K1464-S1467 VanDerWaalsContact O-OG 3.11Å; S1467-K1470 PolarHBondContact O-N 3.02Å; S1467-F1471 WeakPolarHBondContact O-CB 3.42Å; S1467-F1471 PolarHBondContact O-N 2.82Å
1468T71.9Confident67Low54 Ų5491.6 Ų91.633%0.33147%0.472SS..Hα-helixtrans-60.4-47.8173.2-53.50000111.8L1414 K1464 V1465 K1470 F1471 I1472L1414-T1468 HydrophobicContact CD1-CG2 3.9Å; L1414-T1468 WeakPolarHBondContact CD1-OG1 3.1Å; K1464-T1468 WeakPolarHBondContact O-CB 3.36Å; K1464-T1468 PolarHBondContact O-N 2.83Å; K1464-T1468 PolarHBondContact O-OG1 3.36Å; V1465-T1468 PolarHBondContact O-N 2.88Å; T1468-K1470 PolarHBondContact O-N 2.96Å; T1468-F1471 PolarHBondContact O-N 2.84Å; T1468-I1472 HydrophobicContact CG2-CD1 3.94Å; T1468-I1472 WeakPolarHBondContact O-CG1 2.99Å; T1468-I1472 PolarHBondContact O-N 2.85Å
1469A75.9Confident69Low56 Ų5684.3 Ų84.346%0.46345%0.446SS..Hα-helixtrans-62.4-42.5178.600000112.1V1465 E1466 I1472 Q1473V1465-A1469 WeakPolarHBondContact O-CB 3.48Å; V1465-A1469 PolarHBondContact O-N 3.47Å; E1466-A1469 PolarHBondContact O-N 2.72Å; A1469-I1472 PolarHBondContact O-N 3.04Å; A1469-Q1473 WeakPolarHBondContact O-CB 3.07Å; A1469-Q1473 PolarHBondContact O-N 2.87Å
1470K80.2Confident71.1Confident101 Ų10180 Ų8044%0.43942%0.422SS..Hα-helixtrans-64.5-38.9176-74.2171.8-177.4168.30112.5E1466 S1467 T1468 K1474E1466-K1470 HydrophobicContact CG-CD 4.3Å; E1466-K1470 WeakPolarHBondContact O-CB 3.29Å; E1466-K1470 WeakPolarHBondContact O-CG 3.3Å; E1466-K1470 PolarHBondContact O-N 2.76Å; E1466-K1470 WeakPolarHBondContact OE1-CE 3.24Å; E1466-K1470 IonicContact OE1-NZ 2.64Å; E1466-K1470 PolarHBondContact OE1-NZ 2.81Å; S1467-K1470 PolarHBondContact O-N 3.02Å; T1468-K1470 PolarHBondContact O-N 2.96Å; K1470-K1474 WeakPolarHBondContact O-CB 3.29Å; K1470-K1474 PolarHBondContact O-N 3.11Å
1471F81.4Confident73Confident26 Ų2675.6 Ų75.611%0.11440%0.399CS..Hα-helixtrans-63.1-50.7174.9179.1-95.1000111.5I1403 A1407 L1414 V1418 S1467 T1468 Q1473 K1474 M1475I1403-F1471 HydrophobicContact CG2-CD2 4.47Å; I1403-F1471 HydrophobicContact CG2-CE2 3.6Å; I1403-F1471 HydrophobicContact CG2-CZ 3.98Å; A1407-F1471 HydrophobicContact CB-CE2 3.8Å; A1407-F1471 HydrophobicContact CB-CZ 3.69Å; L1414-F1471 HydrophobicContact CD2-CB 4.4Å; L1414-F1471 HydrophobicContact CD2-CD1 4.02Å; L1414-F1471 HydrophobicContact CD2-CD2 4.08Å; L1414-F1471 HydrophobicContact CD2-CE1 4.31Å; L1414-F1471 HydrophobicContact CD2-CE2 4.36Å; L1414-F1471 HydrophobicContact CD2-CG 3.9Å; L1414-F1471 HydrophobicContact CD2-CZ 4.48Å; V1418-F1471 HydrophobicContact CG2-CB 3.82Å; V1418-F1471 HydrophobicContact CG2-CD2 4Å; V1418-F1471 HydrophobicContact CG2-CG 4.43Å; S1467-F1471 WeakPolarHBondContact O-CB 3.42Å; S1467-F1471 PolarHBondContact O-N 2.82Å; T1468-F1471 PolarHBondContact O-N 2.84Å; F1471-Q1473 VanDerWaalsContact C-N 3.34Å; F1471-Q1473 PolarHBondContact O-N 3.38Å; F1471-K1474 PolarHBondContact O-N 3.31Å; F1471-M1475 PolarHBondContact O-N 2.83Å
1472I79.9Confident74.9Confident78 Ų7870 Ų7040%0.438%0.377SS..Hα-helixtrans-60.1-43.7177.9-67169.8000110.9T1468 A1469 K1474 M1475 I1476T1468-I1472 HydrophobicContact CG2-CD1 3.94Å; T1468-I1472 WeakPolarHBondContact O-CG1 2.99Å; T1468-I1472 PolarHBondContact O-N 2.85Å; A1469-I1472 PolarHBondContact O-N 3.04Å; I1472-K1474 VanDerWaalsContact C-N 3.35Å; I1472-K1474 PolarHBondContact O-N 2.79Å; I1472-M1475 PolarHBondContact O-N 3.48Å; I1472-I1476 HydrophobicContact CG2-CD1 3.72Å; I1472-I1476 HydrophobicContact CG2-CG1 4.37Å; I1472-I1476 WeakPolarHBondContact O-CG1 3.17Å; I1472-I1476 PolarHBondContact O-N 3.01Å
1473Q82.8Confident76.9Confident143 Ų14365.5 Ų65.567%0.66836%0.357SS*.Hα-helixtrans-59.9-42.6177-174.2-177.32.600112.1A1469 F1471 A1477A1469-Q1473 WeakPolarHBondContact O-CB 3.07Å; A1469-Q1473 PolarHBondContact O-N 2.87Å; F1471-Q1473 VanDerWaalsContact C-N 3.34Å; F1471-Q1473 PolarHBondContact O-N 3.38Å; Q1473-A1477 WeakPolarHBondContact O-CB 3.33Å; Q1473-A1477 PolarHBondContact O-N 2.83Å
1474K81.8Confident78.3Confident60 Ų6063.2 Ų63.226%0.26134%0.341SS..Hα-helixtrans-67.3-39.5177.1178.661.2173.5176.90111.9D1425 K1470 F1471 I1472 A1477 S1478D1425-K1474 VanDerWaalsContact OD2-CE 3.3Å; D1425-K1474 WeakPolarHBondContact OD2-CE 3.39Å; D1425-K1474 IonicContact OD2-NZ 3.58Å; D1425-K1474 PolarHBondContact OD2-NZ 2.56Å; K1470-K1474 WeakPolarHBondContact O-CB 3.29Å; K1470-K1474 PolarHBondContact O-N 3.11Å; F1471-K1474 PolarHBondContact O-N 3.31Å; I1472-K1474 VanDerWaalsContact C-N 3.35Å; I1472-K1474 PolarHBondContact O-N 2.79Å; K1474-A1477 PolarHBondContact O-N 3.04Å; K1474-S1478 WeakPolarHBondContact O-CB 3.48Å; K1474-S1478 PolarHBondContact O-N 3.04Å
1475M81.5Confident79.4Confident70 Ų7058 Ų5835%0.34532%0.32SS..Hα-helixtrans-64-47.2176.3-172.5-177.27300112F1471 I1472 S1478 A1479F1471-M1475 PolarHBondContact O-N 2.83Å; I1472-M1475 PolarHBondContact O-N 3.48Å; M1475-S1478 WeakPolarHBondContact O-CB 3.4Å; M1475-S1478 PolarHBondContact O-N 2.92Å; M1475-A1479 PolarHBondContact O-N 2.78Å
1476I82.2Confident80Confident88 Ų8856.1 Ų56.145%0.45131%0.309SS..Hα-helixtrans-64-42.3177.2-67.1170.8000110.9I1472 S1478 A1479 L1480I1472-I1476 HydrophobicContact CG2-CD1 3.72Å; I1472-I1476 HydrophobicContact CG2-CG1 4.37Å; I1472-I1476 WeakPolarHBondContact O-CG1 3.17Å; I1472-I1476 PolarHBondContact O-N 3.01Å; I1476-S1478 VanDerWaalsContact C-N 3.32Å; I1476-S1478 PolarHBondContact O-N 2.59Å; I1476-A1479 PolarHBondContact O-N 2.81Å; I1476-L1480 HydrophobicContact CG2-CD1 3.83Å; I1476-L1480 HydrophobicContact CG2-CG 4.23Å; I1476-L1480 WeakPolarHBondContact O-CB 3.38Å; I1476-L1480 WeakPolarHBondContact O-CG 3.08Å; I1476-L1480 PolarHBondContact O-N 2.8Å
1477A81.7Confident80.5Confident34 Ų3452.7 Ų52.728%0.28130%0.295SS..Hα-helixtrans-61.8-39.5176.100000112.4Q1473 K1474 D1481Q1473-A1477 WeakPolarHBondContact O-CB 3.33Å; Q1473-A1477 PolarHBondContact O-N 2.83Å; K1474-A1477 PolarHBondContact O-N 3.04Å; A1477-D1481 WeakPolarHBondContact O-CB 3.39Å; A1477-D1481 PolarHBondContact O-N 2.78Å
1478S80.1Confident81.2Confident4 Ų452 Ų523%0.02829%0.289CS..Hα-helixtrans-62.3-48175.3-171.90000111.5Y1395 L1398 K1474 M1475 I1476 D1481 L1482Y1395-S1478 VanDerWaalsContact OH-CA 3.29Å; Y1395-S1478 WeakPolarHBondContact OH-CA 3.5Å; Y1395-S1478 WeakPolarHBondContact OH-CB 3.41Å; Y1395-S1478 PolarHBondContact OH-O 2.98Å; Y1395-S1478 PolarHBondContact OH-OG 2.94Å; L1398-S1478 PolarHBondContact O-OG 3.28Å; K1474-S1478 WeakPolarHBondContact O-CB 3.48Å; K1474-S1478 PolarHBondContact O-N 3.04Å; M1475-S1478 WeakPolarHBondContact O-CB 3.4Å; M1475-S1478 PolarHBondContact O-N 2.92Å; I1476-S1478 VanDerWaalsContact C-N 3.32Å; I1476-S1478 PolarHBondContact O-N 2.59Å; S1478-D1481 PolarHBondContact O-N 3.12Å; S1478-L1482 WeakPolarHBondContact O-CB 3.03Å; S1478-L1482 PolarHBondContact O-N 2.81Å
1479A81.3Confident81.4Confident45 Ų4553.6 Ų53.637%0.37229%0.292SS..Hα-helixtrans-65.8-39178.700000113.7P1400 M1475 I1476 C1483P1400-A1479 HydrophobicContact CG-CB 4.33Å; M1475-A1479 PolarHBondContact O-N 2.78Å; I1476-A1479 PolarHBondContact O-N 2.81Å; A1479-C1483 WeakPolarHBondContact O-CB 3.31Å; A1479-C1483 PolarHBondContact O-N 3.03Å
1480L85.3Confident81.4Confident58 Ų5856.5 Ų56.530%0.30430%0.299SS..Hα-helixtrans-67.3-42.3176-72.3173.6000112I1476 S1484 L1564I1476-L1480 HydrophobicContact CG2-CD1 3.83Å; I1476-L1480 HydrophobicContact CG2-CG 4.23Å; I1476-L1480 WeakPolarHBondContact O-CB 3.38Å; I1476-L1480 WeakPolarHBondContact O-CG 3.08Å; I1476-L1480 PolarHBondContact O-N 2.8Å; L1480-S1484 VanDerWaalsContact O-CB 3.29Å; L1480-S1484 WeakPolarHBondContact O-CB 3.21Å; L1480-S1484 PolarHBondContact O-N 2.82Å; L1480-S1484 PolarHBondContact O-OG 3.4Å; L1480-L1564 HydrophobicContact CD2-CD2 3.75Å
1481D82.4Confident81.5Confident12 Ų1251.8 Ų51.86%0.06428%0.278CS..Hα-helixtrans-64.6-45.4176.2-85.8-16.7000110.3Y1395 R1397 A1477 S1478 C1483 S1484 V1485 S1560 R1563Y1395-D1481 HydrophobicContact CE2-CB 4.09Å; R1397-D1481 IonicContact CZ-OD2 2.72Å; R1397-D1481 IonicContact NH1-OD2 3.21Å; R1397-D1481 PolarHBondContact NH1-OD2 3.08Å; A1477-D1481 WeakPolarHBondContact O-CB 3.39Å; A1477-D1481 PolarHBondContact O-N 2.78Å; S1478-D1481 PolarHBondContact O-N 3.12Å; D1481-C1483 PolarHBondContact O-N 3.09Å; D1481-S1484 PolarHBondContact O-N 3.17Å; D1481-S1484 VanDerWaalsContact O-N 3.16Å; D1481-S1484 PolarHBondContact O-OG 2.75Å; D1481-V1485 WeakPolarHBondContact O-CG2 3.49Å; D1481-V1485 PolarHBondContact O-N 3.46Å; D1481-S1560 WeakPolarHBondContact OD1-CB 3.49Å; D1481-R1563 IonicContact OD1-CZ 2.72Å; D1481-R1563 IonicContact OD1-NH1 3.13Å; D1481-R1563 PolarHBondContact OD1-NH1 2.8Å; D1481-R1563 IonicContact OD2-NH1 3.68Å; D1481-R1563 PolarHBondContact OD2-NH1 3.35Å
1482L82.7Confident81.4Confident61 Ų6152.3 Ų52.332%0.31928%0.28SS..Hα-helixtrans-55.8-50.1175179.963.6000112.5Y1395 S1478 S1484 V1485 T1486Y1395-L1482 HydrophobicContact CD1-CD1 4.49Å; Y1395-L1482 HydrophobicContact CD2-CD1 4.46Å; Y1395-L1482 HydrophobicContact CE2-CB 4.37Å; Y1395-L1482 HydrophobicContact CG-CD1 4.21Å; S1478-L1482 WeakPolarHBondContact O-CB 3.03Å; S1478-L1482 PolarHBondContact O-N 2.81Å; L1482-S1484 VanDerWaalsContact C-N 3.32Å; L1482-S1484 PolarHBondContact O-N 2.94Å; L1482-V1485 PolarHBondContact O-N 2.87Å; L1482-T1486 PolarHBondContact O-N 3.46Å; L1482-T1486 PolarHBondContact O-OG1 2.84Å
1483C83.8Confident81.3Confident54 Ų5451.7 Ų51.737%0.36528%0.275SS..Hα-helixtrans-63.8-35.9176.9-178.10000112.6A1479 D1481 T1486 L1487 L1564A1479-C1483 WeakPolarHBondContact O-CB 3.31Å; A1479-C1483 PolarHBondContact O-N 3.03Å; D1481-C1483 PolarHBondContact O-N 3.09Å; C1483-T1486 PolarHBondContact O-OG1 2.83Å; C1483-T1486 VanDerWaalsContact O-OG1 3.08Å; C1483-L1487 PolarHBondContact O-N 2.99Å; C1483-L1564 HydrophobicContact CB-CD1 4.41Å
1484S85.5Confident81.4Confident0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-66.6-38.1175.781.30000111.7L1480 D1481 L1482 N1488 W1555L1480-S1484 VanDerWaalsContact O-CB 3.29Å; L1480-S1484 WeakPolarHBondContact O-CB 3.21Å; L1480-S1484 PolarHBondContact O-N 2.82Å; L1480-S1484 PolarHBondContact O-OG 3.4Å; D1481-S1484 PolarHBondContact O-N 3.17Å; D1481-S1484 VanDerWaalsContact O-N 3.16Å; D1481-S1484 PolarHBondContact O-OG 2.75Å; L1482-S1484 VanDerWaalsContact C-N 3.32Å; L1482-S1484 PolarHBondContact O-N 2.94Å; S1484-N1488 WeakPolarHBondContact O-CB 3.38Å; S1484-N1488 PolarHBondContact O-N 3.38Å; S1484-W1555 WeakPolarHBondContact OG-CH2 3.24Å
1485V80.9Confident81.5Confident28 Ų2844.9 Ų44.917%0.1724%0.242CC..Hα-helixtrans-68.1-44.6177.4171.70000111.2T1393 D1481 L1482 N1488 K1489 W1555T1393-V1485 WeakPolarHBondContact O-CG1 3.3Å; D1481-V1485 WeakPolarHBondContact O-CG2 3.49Å; D1481-V1485 PolarHBondContact O-N 3.46Å; L1482-V1485 PolarHBondContact O-N 2.87Å; V1485-N1488 PolarHBondContact O-N 2.75Å; V1485-K1489 PolarHBondContact O-N 2.87Å; V1485-W1555 HydrophobicContact CG2-CH2 3.87Å; V1485-W1555 HydrophobicContact CG2-CZ3 4.28Å
1486T78.1Confident81.7Confident74 Ų7441.7 Ų41.745%0.45423%0.227SC..Hα-helixtrans-64.5-43.5-179.955.70000112.6L1482 C1483 K1489 L1490L1482-T1486 PolarHBondContact O-N 3.46Å; L1482-T1486 PolarHBondContact O-OG1 2.84Å; C1483-T1486 PolarHBondContact O-OG1 2.83Å; C1483-T1486 VanDerWaalsContact O-OG1 3.08Å; T1486-K1489 PolarHBondContact O-N 3Å; T1486-L1490 PolarHBondContact O-N 2.92Å
1487L84.1Confident81.9Confident40 Ų4037.8 Ų37.821%0.20921%0.207CC..Hα-helixtrans-63.9-42.3173.1-73.6172.7000111.8C1483 K1489 L1490 C1491 L1564 A1567 V1568C1483-L1487 PolarHBondContact O-N 2.99Å; L1487-K1489 VanDerWaalsContact C-N 3.27Å; L1487-K1489 PolarHBondContact O-N 3.43Å; L1487-L1490 WeakPolarHBondContact O-CB 3.36Å; L1487-L1490 PolarHBondContact O-N 3.29Å; L1487-L1490 VanDerWaalsContact O-N 3.15Å; L1487-C1491 PolarHBondContact O-N 3.43Å; L1487-C1491 PolarHBondContact O-SG 3.3Å; L1487-L1564 HydrophobicContact CD1-CD1 3.79Å; L1487-A1567 HydrophobicContact CB-CB 3.84Å; L1487-V1568 HydrophobicContact CD1-CG2 3.75Å
1488N82.8Confident82.1Confident7 Ų737.7 Ų37.74%0.03721%0.209CC..Hα-helixtrans-64.9-30.5-179.1-16836.2000112.5S1484 V1485 C1491 R1495 W1555 A1567S1484-N1488 WeakPolarHBondContact O-CB 3.38Å; S1484-N1488 PolarHBondContact O-N 3.38Å; V1485-N1488 PolarHBondContact O-N 2.75Å; N1488-C1491 PolarHBondContact O-N 3.3Å; N1488-R1495 PolarHBondContact ND2-NH1 3.01Å; N1488-R1495 VanDerWaalsContact OD1-CD 3.27Å; N1488-R1495 WeakPolarHBondContact OD1-CD 3.49Å; N1488-R1495 PolarHBondContact OD1-NH1 3.24Å; N1488-W1555 HydrophobicContact CB-CH2 4.23Å; N1488-W1555 HydrophobicContact CB-CZ2 3.81Å; N1488-W1555 VanDerWaalsContact ND2-CE3 3.26Å; N1488-W1555 WeakPolarHBondContact ND2-CH2 3.39Å; N1488-W1555 WeakPolarHBondContact ND2-CZ2 3.36Å; N1488-W1555 WeakPolarHBondContact ND2-CZ3 3.28Å; N1488-A1567 HydrophobicContact CB-CB 4.34Å
1489K75.9Confident82.4Confident87 Ų8739.3 Ų39.338%0.37822%0.216SC..Hα-helixtrans-64.3-41.9171.3-175.7171.9174.4179.40112.3E1387 V1485 T1486 L1487 C1491E1387-K1489 IonicContact OE1-NZ 3.92Å; E1387-K1489 PolarHBondContact OE1-NZ 2.9Å; E1387-K1489 IonicContact OE2-NZ 3.38Å; E1387-K1489 PolarHBondContact OE2-NZ 3.39Å; V1485-K1489 PolarHBondContact O-N 2.87Å; T1486-K1489 PolarHBondContact O-N 3Å; L1487-K1489 VanDerWaalsContact C-N 3.27Å; L1487-K1489 PolarHBondContact O-N 3.43Å; K1489-C1491 PolarHBondContact O-N 3.16Å
1490L75.3Confident82.7Confident117 Ų11737.1 Ų37.161%0.61320%0.198SC*.Hα-helixtrans-65.9-22.8175.6-63.9172.3000113.4T1486 L1487T1486-L1490 PolarHBondContact O-N 2.92Å; L1487-L1490 WeakPolarHBondContact O-CB 3.36Å; L1487-L1490 PolarHBondContact O-N 3.29Å; L1487-L1490 VanDerWaalsContact O-N 3.15Å
1491C82.2Confident82.8Confident1 Ų135 Ų351%0.00719%0.187CC..THydrogen-bonded Turntrans-101.710.9-171.7-54.60000114.6L1487 N1488 K1489 E1493 H1494 R1495 N1570 C1571L1487-C1491 PolarHBondContact O-N 3.43Å; L1487-C1491 PolarHBondContact O-SG 3.3Å; N1488-C1491 PolarHBondContact O-N 3.3Å; K1489-C1491 PolarHBondContact O-N 3.16Å; C1491-E1493 PolarHBondContact O-N 3.38Å; C1491-H1494 PolarHBondContact O-N 3.38Å; C1491-R1495 WeakPolarHBondContact O-CB 3.3Å; C1491-R1495 PolarHBondContact O-N 3.48Å; C1491-R1495 VanDerWaalsContact O-N 3.08Å; C1491-N1570 HydrophobicContact CB-CB 4.07Å; C1491-C1571 WeakPolarHBondContact SG-CA 3.14Å; C1491-C1571 WeakPolarHBondContact SG-CB 2.93Å; C1491-C1571 PolarHBondContact SG-N 3.25Å
1492R79.2Confident83Confident38 Ų3837.4 Ų37.414%0.14320%0.204CC..Hα-helixtrans-49.7-56.4-167.5-176173.378.2156.2-2.8112.7E1312 D1389 H1494 R1495 Y1496 E1548E1312-R1492 IonicContact OE1-CZ 2.66Å; E1312-R1492 IonicContact OE1-NH2 3.27Å; E1312-R1492 PolarHBondContact OE1-NH2 2.94Å; D1389-R1492 IonicContact OD2-NH1 3.46Å; D1389-R1492 PolarHBondContact OD2-NH1 2.73Å; D1389-R1492 VanDerWaalsContact OD2-NH1 3.16Å; R1492-H1494 PolarHBondContact O-N 3.38Å; R1492-R1495 PolarHBondContact O-N 3.1Å; R1492-Y1496 WeakPolarHBondContact O-CB 3.47Å; R1492-Y1496 PolarHBondContact O-N 2.9Å; R1492-E1548 WeakPolarHBondContact CD-OE1 3.43Å; R1492-E1548 IonicContact CZ-OE1 3.97Å; R1492-E1548 IonicContact NE-OE1 2.73Å; R1492-E1548 IonicContact NH1-OE1 3.38Å
1493E78.3Confident83.3Confident65 Ų6538.4 Ų38.430%0.30421%0.206SC..Hα-helixtrans-55.8-54.8-176.6-52.5177.6-157.500112.4K1305 L1308 C1491 R1495 Y1496 V1497K1305-E1493 VanDerWaalsContact CE-OE2 3.26Å; K1305-E1493 WeakPolarHBondContact CE-OE2 3.44Å; K1305-E1493 IonicContact NZ-OE2 2.84Å; K1305-E1493 PolarHBondContact NZ-OE2 2.8Å; L1308-E1493 HydrophobicContact CD2-CB 3.88Å; L1308-E1493 HydrophobicContact CD2-CG 3.75Å; C1491-E1493 PolarHBondContact O-N 3.38Å; E1493-R1495 VanDerWaalsContact C-N 3.34Å; E1493-R1495 PolarHBondContact O-N 3.39Å; E1493-Y1496 PolarHBondContact O-N 3.09Å; E1493-V1497 WeakPolarHBondContact O-CG2 3.48Å; E1493-V1497 PolarHBondContact O-N 3.15Å
1494H84.2Confident83.5Confident29 Ų2935.9 Ų35.913%0.13419%0.189CC..Hα-helixtrans-64.8-40.2-174.4175.5-98.5000111.6C1491 R1492 G1498 N1570 A1574 M1688C1491-H1494 PolarHBondContact O-N 3.38Å; R1492-H1494 PolarHBondContact O-N 3.38Å; H1494-G1498 PolarHBondContact O-N 2.71Å; H1494-N1570 PolarHBondContact ND1-O 3.17Å; H1494-A1574 HydrophobicContact CB-CB 3.63Å; H1494-M1688 WeakPolarHBondContact NE2-CE 3.37Å
1495R84.2Confident83.6Confident30 Ų3036.9 Ų36.911%0.11319%0.193CC..Hα-helixtrans-64.6-43.8176.7-177.6-166.565.5168.48.4111.5N1488 C1491 R1492 E1493 F1499 V1551N1488-R1495 PolarHBondContact ND2-NH1 3.01Å; N1488-R1495 VanDerWaalsContact OD1-CD 3.27Å; N1488-R1495 WeakPolarHBondContact OD1-CD 3.49Å; N1488-R1495 PolarHBondContact OD1-NH1 3.24Å; C1491-R1495 WeakPolarHBondContact O-CB 3.3Å; C1491-R1495 PolarHBondContact O-N 3.48Å; C1491-R1495 VanDerWaalsContact O-N 3.08Å; R1492-R1495 PolarHBondContact O-N 3.1Å; E1493-R1495 VanDerWaalsContact C-N 3.34Å; E1493-R1495 PolarHBondContact O-N 3.39Å; R1495-F1499 WeakPolarHBondContact O-CB 3.41Å; R1495-F1499 PolarHBondContact O-N 3.06Å; R1495-V1551 HydrophobicContact CG-CG1 3.66Å
1496Y85.8Confident83.9Confident3 Ų339.2 Ų39.21%0.01220%0.202CC..Hα-helixtrans-59.4-57.1175.5169.9-96.2000111.2R1492 E1493 G1498 F1499 V1500 V1538 V1544 M1547 E1548R1492-Y1496 WeakPolarHBondContact O-CB 3.47Å; R1492-Y1496 PolarHBondContact O-N 2.9Å; E1493-Y1496 PolarHBondContact O-N 3.09Å; Y1496-G1498 VanDerWaalsContact C-N 3.33Å; Y1496-G1498 PolarHBondContact O-N 3.22Å; Y1496-F1499 PolarHBondContact O-N 2.9Å; Y1496-V1500 HydrophobicContact CD2-CG2 4.43Å; Y1496-V1500 HydrophobicContact CE1-CG2 4.33Å; Y1496-V1500 HydrophobicContact CE2-CG2 4.15Å; Y1496-V1500 WeakPolarHBondContact O-CG2 3.32Å; Y1496-V1500 PolarHBondContact O-N 2.93Å; Y1496-V1538 WeakPolarHBondContact OH-CG1 3.42Å; Y1496-V1538 WeakPolarHBondContact OH-CG2 3.44Å; Y1496-V1544 HydrophobicContact CE2-CG1 4Å; Y1496-M1547 HydrophobicContact CD2-CB 4.43Å; Y1496-M1547 HydrophobicContact CE2-CB 3.68Å; Y1496-E1548 HydrophobicContact CD2-CG 3.49Å; Y1496-E1548 VanDerWaalsContact CD2-CG 3.49Å; Y1496-E1548 HydrophobicContact CE2-CG 3.84Å; Y1496-E1548 HydrophobicContact CG-CG 4.36Å
1497V86.4Confident84.4Confident7 Ų740.3 Ų40.34%0.04220%0.201CC..Hα-helixtrans-59.6-43.2-179.4177.30000111.2L1304 E1493 F1499 V1500 L1501 L1692L1304-V1497 HydrophobicContact CB-CG1 4.42Å; L1304-V1497 HydrophobicContact CB-CG2 4Å; L1304-V1497 HydrophobicContact CD1-CG1 4.33Å; E1493-V1497 WeakPolarHBondContact O-CG2 3.48Å; E1493-V1497 PolarHBondContact O-N 3.15Å; V1497-F1499 PolarHBondContact O-N 3.39Å; V1497-V1500 PolarHBondContact O-N 3.07Å; V1497-L1501 HydrophobicContact CG1-CD1 3.81Å; V1497-L1501 HydrophobicContact CG1-CG 4.3Å; V1497-L1501 WeakPolarHBondContact O-CB 3.4Å; V1497-L1501 VanDerWaalsContact O-CG 3.29Å; V1497-L1501 WeakPolarHBondContact O-CG 3.4Å; V1497-L1501 PolarHBondContact O-N 2.85Å; V1497-L1692 HydrophobicContact CG1-CD2 3.89Å
1498G85Confident84.5Confident31 Ų3138.4 Ų38.432%0.3219%0.191SC..Hα-helixtrans-63.4-37.1178.900000114H1494 Y1496 S1502H1494-G1498 PolarHBondContact O-N 2.71Å; Y1496-G1498 VanDerWaalsContact C-N 3.33Å; Y1496-G1498 PolarHBondContact O-N 3.22Å; G1498-S1502 WeakPolarHBondContact O-CB 3.37Å; G1498-S1502 PolarHBondContact O-N 2.91Å
1499F87.1Confident84.7Confident38 Ų3838.9 Ų38.917%0.16719%0.193CC..Hα-helixtrans-72.6-45.3176.6-179.4-93.6000112.2R1495 Y1496 V1497 L1501 S1502 K1503 M1547 A1550 V1551 D1554R1495-F1499 WeakPolarHBondContact O-CB 3.41Å; R1495-F1499 PolarHBondContact O-N 3.06Å; Y1496-F1499 PolarHBondContact O-N 2.9Å; V1497-F1499 PolarHBondContact O-N 3.39Å; F1499-L1501 PolarHBondContact O-N 2.86Å; F1499-S1502 WeakPolarHBondContact O-CB 3.33Å; F1499-S1502 PolarHBondContact O-N 3.3Å; F1499-K1503 HydrophobicContact CD1-CG 4.35Å; F1499-K1503 HydrophobicContact CE1-CG 4.04Å; F1499-K1503 HydrophobicContact CZ-CG 4.25Å; F1499-K1503 PolarHBondContact O-N 3.49Å; F1499-M1547 HydrophobicContact CD1-CE 4Å; F1499-M1547 HydrophobicContact CE1-CE 3.96Å; F1499-A1550 HydrophobicContact CE1-CB 4.29Å; F1499-V1551 HydrophobicContact CB-CG2 3.53Å; F1499-V1551 HydrophobicContact CD1-CG2 3.35Å; F1499-V1551 HydrophobicContact CD2-CG2 4.17Å; F1499-V1551 HydrophobicContact CE1-CG2 4Å; F1499-V1551 HydrophobicContact CG-CG2 3.44Å; F1499-V1551 VanDerWaalsContact CG-CG2 3.44Å; F1499-D1554 HydrophobicContact CE2-CB 4.02Å
1500V88.2Confident85.1Confident0 Ų039.2 Ų39.20%021%0.206CC..Hα-helixtrans-57.5-50.7176.1177.50000109.7L1304 Y1496 V1497 S1502 K1503 E1504 L1537 V1538 M1547L1304-V1500 HydrophobicContact CD1-CB 3.92Å; L1304-V1500 HydrophobicContact CD1-CG1 3.59Å; L1304-V1500 HydrophobicContact CD2-CG1 4.19Å; Y1496-V1500 HydrophobicContact CD2-CG2 4.43Å; Y1496-V1500 HydrophobicContact CE1-CG2 4.33Å; Y1496-V1500 HydrophobicContact CE2-CG2 4.15Å; Y1496-V1500 WeakPolarHBondContact O-CG2 3.32Å; Y1496-V1500 PolarHBondContact O-N 2.93Å; V1497-V1500 PolarHBondContact O-N 3.07Å; V1500-S1502 VanDerWaalsContact C-N 3.31Å; V1500-S1502 PolarHBondContact O-N 3.36Å; V1500-K1503 PolarHBondContact O-N 3.08Å; V1500-K1503 VanDerWaalsContact O-N 3.13Å; V1500-E1504 HydrophobicContact CG1-CG 4.26Å; V1500-E1504 WeakPolarHBondContact O-CG 3.44Å; V1500-E1504 PolarHBondContact O-N 2.85Å; V1500-L1537 HydrophobicContact CG1-CB 4.38Å; V1500-V1538 HydrophobicContact CG1-CG2 4.18Å; V1500-V1538 HydrophobicContact CG2-CG2 4.29Å; V1500-M1547 HydrophobicContact CB-CE 4.41Å; V1500-M1547 HydrophobicContact CG2-CB 4.31Å; V1500-M1547 HydrophobicContact CG2-CE 3.75Å
1501L87Confident85.4Confident13 Ų1336.1 Ų36.17%0.06820%0.202CC..Hα-helixtrans-60.1-37.5177.1-72174.5000113R1300 L1304 V1497 F1499 E1504 K1505 L1692R1300-L1501 HydrophobicContact CB-CD2 3.97Å; R1300-L1501 HydrophobicContact CG-CD2 3.96Å; L1304-L1501 HydrophobicContact CD1-CG 4.49Å; V1497-L1501 HydrophobicContact CG1-CD1 3.81Å; V1497-L1501 HydrophobicContact CG1-CG 4.3Å; V1497-L1501 WeakPolarHBondContact O-CB 3.4Å; V1497-L1501 VanDerWaalsContact O-CG 3.29Å; V1497-L1501 WeakPolarHBondContact O-CG 3.4Å; V1497-L1501 PolarHBondContact O-N 2.85Å; F1499-L1501 PolarHBondContact O-N 2.86Å; L1501-E1504 PolarHBondContact O-N 2.89Å; L1501-K1505 VanDerWaalsContact O-CB 3.32Å; L1501-K1505 WeakPolarHBondContact O-CB 3.45Å; L1501-K1505 VanDerWaalsContact O-CG 3.27Å; L1501-K1505 WeakPolarHBondContact O-CG 3.34Å; L1501-K1505 PolarHBondContact O-N 3.31Å; L1501-L1692 HydrophobicContact CD1-CD2 4.12Å
1502S86Confident85.4Confident62 Ų6238.9 Ų38.943%0.43422%0.215SC..Hα-helixtrans-62.8-41.9175.5-173.30000111.9G1498 F1499 V1500 K1505 Q1506G1498-S1502 WeakPolarHBondContact O-CB 3.37Å; G1498-S1502 PolarHBondContact O-N 2.91Å; F1499-S1502 WeakPolarHBondContact O-CB 3.33Å; F1499-S1502 PolarHBondContact O-N 3.3Å; V1500-S1502 VanDerWaalsContact C-N 3.31Å; V1500-S1502 PolarHBondContact O-N 3.36Å; S1502-K1505 PolarHBondContact O-N 3.04Å; S1502-Q1506 WeakPolarHBondContact O-CB 3.27Å; S1502-Q1506 PolarHBondContact O-N 2.9Å
1503K88.3Confident85.5Confident83 Ų8340.1 Ų40.136%0.36123%0.23SC..Hα-helixtrans-70.2-40.2176-67.8-62.4-176.6-174.70112.9F1499 V1500 Q1506 K1507 L1537F1499-K1503 HydrophobicContact CD1-CG 4.35Å; F1499-K1503 HydrophobicContact CE1-CG 4.04Å; F1499-K1503 HydrophobicContact CZ-CG 4.25Å; F1499-K1503 PolarHBondContact O-N 3.49Å; V1500-K1503 PolarHBondContact O-N 3.08Å; V1500-K1503 VanDerWaalsContact O-N 3.13Å; K1503-Q1506 PolarHBondContact O-N 3.25Å; K1503-K1507 WeakPolarHBondContact O-CB 3.47Å; K1503-K1507 PolarHBondContact O-N 2.99Å; K1503-L1537 HydrophobicContact CB-CD1 3.5Å
1504E88.6Confident85.6Confident1 Ų144.1 Ų44.11%0.00525%0.248CC..Hα-helixtrans-65.1-38.4174.6-64.7-178.6164.300111.1L1297 R1300 V1500 L1501 K1507 L1508 L1535 Q1536 L1537L1297-E1504 HydrophobicContact CD1-CB 4.36Å; L1297-E1504 HydrophobicContact CD2-CB 4.45Å; R1300-E1504 WeakPolarHBondContact CG-OE2 3.4Å; R1300-E1504 IonicContact CZ-OE1 2.72Å; R1300-E1504 IonicContact NE-OE1 3.53Å; R1300-E1504 PolarHBondContact NE-OE1 3.27Å; R1300-E1504 VanDerWaalsContact NE-OE1 3.11Å; R1300-E1504 IonicContact NE-OE2 3.17Å; R1300-E1504 PolarHBondContact NE-OE2 2.73Å; R1300-E1504 IonicContact NH2-OE1 2.76Å; R1300-E1504 PolarHBondContact NH2-OE1 2.79Å; V1500-E1504 HydrophobicContact CG1-CG 4.26Å; V1500-E1504 WeakPolarHBondContact O-CG 3.44Å; V1500-E1504 PolarHBondContact O-N 2.85Å; L1501-E1504 PolarHBondContact O-N 2.89Å; E1504-K1507 PolarHBondContact O-N 3.32Å; E1504-L1508 WeakPolarHBondContact O-CB 3.16Å; E1504-L1508 PolarHBondContact O-N 3.34Å; E1504-L1535 WeakPolarHBondContact CG-O 3.27Å; E1504-Q1536 WeakPolarHBondContact OE1-CA 3.48Å; E1504-L1537 HydrophobicContact CG-CD1 3.9Å; E1504-L1537 HydrophobicContact CG-CG 4.15Å; E1504-L1537 PolarHBondContact OE1-N 3.18Å
1505K88Confident85.4Confident20 Ų2043.7 Ų43.79%0.08725%0.248CC..Hα-helixtrans-62.4-46.7170.3-80.5176.6171-173.50113.1E1290 E1294 L1297 L1501 S1502 K1507 L1508 K1509E1290-K1505 WeakPolarHBondContact OE1-CD 3.17Å; E1290-K1505 WeakPolarHBondContact OE1-CE 3.45Å; E1290-K1505 IonicContact OE1-NZ 3.91Å; E1290-K1505 PolarHBondContact OE1-NZ 3.25Å; E1294-K1505 IonicContact OE1-NZ 3.42Å; E1294-K1505 PolarHBondContact OE1-NZ 3.42Å; L1297-K1505 HydrophobicContact CD1-CB 4.17Å; L1297-K1505 HydrophobicContact CD1-CG 3.56Å; L1501-K1505 VanDerWaalsContact O-CB 3.32Å; L1501-K1505 WeakPolarHBondContact O-CB 3.45Å; L1501-K1505 VanDerWaalsContact O-CG 3.27Å; L1501-K1505 WeakPolarHBondContact O-CG 3.34Å; L1501-K1505 PolarHBondContact O-N 3.31Å; S1502-K1505 PolarHBondContact O-N 3.04Å; K1505-K1507 VanDerWaalsContact C-N 3.28Å; K1505-K1507 PolarHBondContact O-N 3.32Å; K1505-L1508 WeakPolarHBondContact O-CB 3.32Å; K1505-L1508 PolarHBondContact O-N 2.87Å; K1505-L1508 VanDerWaalsContact O-N 3.15Å; K1505-K1509 PolarHBondContact O-N 2.87Å
1506Q87.7Confident85.2Confident78 Ų7842.3 Ų42.336%0.36424%0.243SC..Hα-helixtrans-58.2-43.9178.4-171.5-178.26.300110.4S1502 K1503 K1509 S1510S1502-Q1506 WeakPolarHBondContact O-CB 3.27Å; S1502-Q1506 PolarHBondContact O-N 2.9Å; K1503-Q1506 PolarHBondContact O-N 3.25Å; Q1506-K1509 PolarHBondContact O-N 3.42Å; Q1506-S1510 PolarHBondContact O-N 2.98Å; Q1506-S1510 PolarHBondContact O-OG 3.02Å
1507K87.4Confident84.9Confident96 Ų9642.8 Ų42.842%0.41725%0.247SC..Hα-helixtrans-65-38.3175.8-165.6178.8-177.2-176.50112.5K1503 E1504 K1505 S1510 G1511 S1534 L1535K1503-K1507 WeakPolarHBondContact O-CB 3.47Å; K1503-K1507 PolarHBondContact O-N 2.99Å; E1504-K1507 PolarHBondContact O-N 3.32Å; K1505-K1507 VanDerWaalsContact C-N 3.28Å; K1505-K1507 PolarHBondContact O-N 3.32Å; K1507-S1510 PolarHBondContact O-OG 3.2Å; K1507-G1511 PolarHBondContact O-N 3.44Å; K1507-S1534 PolarHBondContact NZ-O 3.42Å; K1507-L1535 HydrophobicContact CB-CD2 4.21Å; K1507-L1535 HydrophobicContact CD-CD2 3.89Å; K1507-L1535 HydrophobicContact CG-CD2 3.79Å
1508L87.3Confident84.4Confident0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-64.3-46.4174.4178.163.5000111.8I1296 L1297 E1504 K1505 H1512 L1516 V1530 L1535I1296-L1508 HydrophobicContact CB-CD2 4.08Å; I1296-L1508 HydrophobicContact CD1-CD2 4.35Å; I1296-L1508 HydrophobicContact CG2-CD2 3.84Å; L1297-L1508 HydrophobicContact CD1-CD2 3.96Å; L1297-L1508 HydrophobicContact CG-CD2 4.14Å; E1504-L1508 WeakPolarHBondContact O-CB 3.16Å; E1504-L1508 PolarHBondContact O-N 3.34Å; K1505-L1508 WeakPolarHBondContact O-CB 3.32Å; K1505-L1508 PolarHBondContact O-N 2.87Å; K1505-L1508 VanDerWaalsContact O-N 3.15Å; L1508-H1512 HydrophobicContact CD1-CB 4.4Å; L1508-H1512 WeakPolarHBondContact O-CB 3.44Å; L1508-H1512 PolarHBondContact O-N 2.96Å; L1508-L1516 HydrophobicContact CG-CD1 4.44Å; L1508-V1530 HydrophobicContact CD1-CG1 4.09Å; L1508-V1530 HydrophobicContact CD1-CG2 4.22Å; L1508-L1535 HydrophobicContact CB-CD1 4.38Å; L1508-L1535 HydrophobicContact CD1-CD1 4.03Å
1509K86.5Confident83.7Confident18 Ų1845.1 Ų45.18%0.07825%0.253CS..Hα-helixtrans-62.5-45.6177.2-77.5174.1169.8-172.30112.6D1112 D1115 V1289 E1290 K1505 Q1506 S1513 L1516D1112-K1509 IonicContact OD2-NZ 2.69Å; D1112-K1509 PolarHBondContact OD2-NZ 3.5Å; D1115-K1509 IonicContact OD1-NZ 2.85Å; D1115-K1509 PolarHBondContact OD1-NZ 3.24Å; D1115-K1509 WeakPolarHBondContact OD2-CD 3.49Å; D1115-K1509 IonicContact OD2-NZ 3.68Å; D1115-K1509 PolarHBondContact OD2-NZ 2.95Å; V1289-K1509 HydrophobicContact CG1-CG 4.31Å; E1290-K1509 WeakPolarHBondContact OE2-CE 3.21Å; E1290-K1509 IonicContact OE2-NZ 3.07Å; E1290-K1509 PolarHBondContact OE2-NZ 3.4Å; K1505-K1509 PolarHBondContact O-N 2.87Å; Q1506-K1509 PolarHBondContact O-N 3.42Å; K1509-S1513 WeakPolarHBondContact O-CA 3.24Å; K1509-S1513 WeakPolarHBondContact O-CB 3.44Å; K1509-S1513 PolarHBondContact O-N 3.02Å; K1509-S1513 VanDerWaalsContact O-N 3.17Å; K1509-L1516 HydrophobicContact CG-CD1 4.27Å
1510S84.5Confident83Confident93 Ų9346.2 Ų46.265%0.6527%0.265SS*.Hα-helixtrans-70.5-34.8-180630000113Q1506 K1507Q1506-S1510 PolarHBondContact O-N 2.98Å; Q1506-S1510 PolarHBondContact O-OG 3.02Å; K1507-S1510 PolarHBondContact O-OG 3.2Å
1511G81.9Confident82.2Confident52 Ų5252.6 Ų52.654%0.53629%0.289SS..Hα-helixtrans-82.2-24.2-179.400000115K1507K1507-G1511 PolarHBondContact O-N 3.44Å
1512H82.7Confident81.4Confident59 Ų5956.5 Ų56.527%0.27331%0.306SS..Hα-helixtrans-136.728.4-169.7-62.488.1000113.9L1508 E1514 S1515 L1516L1508-H1512 HydrophobicContact CD1-CB 4.4Å; L1508-H1512 WeakPolarHBondContact O-CB 3.44Å; L1508-H1512 PolarHBondContact O-N 2.96Å; H1512-E1514 PolarHBondContact O-N 3.11Å; H1512-S1515 PolarHBondContact O-N 3.18Å; H1512-L1516 WeakPolarHBondContact O-CG 3.26Å; H1512-L1516 PolarHBondContact O-N 2.81Å
1513S80.2Confident80.9Confident65 Ų6554.4 Ų54.446%0.45529%0.289SS..Hα-helixtrans-51.6-45.7-178.255.70000114K1509 L1516 S1517K1509-S1513 WeakPolarHBondContact O-CA 3.24Å; K1509-S1513 WeakPolarHBondContact O-CB 3.44Å; K1509-S1513 PolarHBondContact O-N 3.02Å; K1509-S1513 VanDerWaalsContact O-N 3.17Å; S1513-L1516 PolarHBondContact O-N 3.48Å; S1513-S1517 PolarHBondContact O-N 3.13Å; S1513-S1517 PolarHBondContact O-OG 2.97Å
1514E81.1Confident80.2Confident148 Ų14854 Ų5469%0.69229%0.294SS*.Hα-helixtrans-64.6-39.9175.9-65.9-169.1150.600112.5H1512 L1516 S1517 N1518H1512-E1514 PolarHBondContact O-N 3.11Å; E1514-L1516 VanDerWaalsContact C-N 3.33Å; E1514-S1517 WeakPolarHBondContact CA-OG 3.5Å; E1514-S1517 PolarHBondContact O-OG 2.75Å; E1514-S1517 VanDerWaalsContact O-OG 3.08Å; E1514-N1518 VanDerWaalsContact O-CB 3.23Å; E1514-N1518 WeakPolarHBondContact O-CB 3.28Å; E1514-N1518 PolarHBondContact O-N 3.06Å
1515S80.1Confident79.7Confident20 Ų2057.4 Ų57.414%0.1431%0.312CS..Hα-helixtrans-70.1-32.3177.9-163.80000111.9H1512 I1526H1512-S1515 PolarHBondContact O-N 3.18Å; S1515-I1526 WeakPolarHBondContact O-CD1 3.49Å
1516L80Confident79.2Confident1 Ų156.6 Ų56.61%0.00531%0.309CS..Hα-helixtrans-74-39.6176-70170.7000112.4V1289 R1292 I1296 L1508 K1509 H1512 S1513 E1514V1289-L1516 HydrophobicContact CG1-CB 4.38Å; V1289-L1516 HydrophobicContact CG1-CD1 4.26Å; R1292-L1516 HydrophobicContact CB-CD2 4.43Å; R1292-L1516 PolarHBondContact NE-O 2.87Å; I1296-L1516 HydrophobicContact CD1-CD2 3.56Å; L1508-L1516 HydrophobicContact CG-CD1 4.44Å; K1509-L1516 HydrophobicContact CG-CD1 4.27Å; H1512-L1516 WeakPolarHBondContact O-CG 3.26Å; H1512-L1516 PolarHBondContact O-N 2.81Å; S1513-L1516 PolarHBondContact O-N 3.48Å; E1514-L1516 VanDerWaalsContact C-N 3.33Å
1517S78.4Confident78.6Confident13 Ų1356.3 Ų56.39%0.09131%0.305CS..Hα-helixtrans-73-31.6175.752.70000112.7S1513 E1514 T1519S1513-S1517 PolarHBondContact O-N 3.13Å; S1513-S1517 PolarHBondContact O-OG 2.97Å; E1514-S1517 WeakPolarHBondContact CA-OG 3.5Å; E1514-S1517 PolarHBondContact O-OG 2.75Å; E1514-S1517 VanDerWaalsContact O-OG 3.08Å; S1517-T1519 PolarHBondContact O-N 3.04Å; S1517-T1519 PolarHBondContact O-OG1 3.22Å
1518N76.7Confident78.1Confident67 Ų6756.5 Ų56.536%0.35832%0.318SS..  trans-66.1102176.8-169.1-15.7000112R1292 E1514 S1520R1292-N1518 PolarHBondContact NH2-O 3.2Å; E1514-N1518 VanDerWaalsContact O-CB 3.23Å; E1514-N1518 WeakPolarHBondContact O-CB 3.28Å; E1514-N1518 PolarHBondContact O-N 3.06Å; N1518-S1520 VanDerWaalsContact C-N 3.25Å; N1518-S1520 PolarHBondContact O-N 3.17Å; N1518-S1520 WeakPolarHBondContact OD1-CB 3.44Å; N1518-S1520 PolarHBondContact OD1-N 2.93Å; N1518-S1520 PolarHBondContact OD1-OG 3.49Å
1519T69.4Low77.7Confident21 Ų2160 Ų6013%0.12935%0.346CS..THydrogen-bonded Turntrans-77.1-8-177-59.40000113.2M1172 S1517M1172-T1519 HydrophobicContact CB-CG2 3.67Å; M1172-T1519 HydrophobicContact CE-CG2 4.19Å; M1172-T1519 HydrophobicContact CG-CG2 4.38Å; M1172-T1519 HydrophobicContact SD-CG2 3.92Å; S1517-T1519 PolarHBondContact O-N 3.04Å; S1517-T1519 PolarHBondContact O-OG1 3.22Å
1520S72.6Confident77.1Confident61 Ų6159.4 Ų59.443%0.42734%0.344SS..THydrogen-bonded Turntrans-75.5-24-177.569.50000114.9N1518N1518-S1520 VanDerWaalsContact C-N 3.25Å; N1518-S1520 PolarHBondContact O-N 3.17Å; N1518-S1520 WeakPolarHBondContact OD1-CB 3.44Å; N1518-S1520 PolarHBondContact OD1-N 2.93Å; N1518-S1520 PolarHBondContact OD1-OG 3.49Å
1521R73Confident76.7Confident133 Ų13360.7 Ų60.750%0.50234%0.344SS..SBendtrans-91.1144.7-179.1-66.2-178.2173.3179.1-3.3111.5I1526R1521-I1526 HydrophobicContact CB-CD1 4.2Å; R1521-I1526 HydrophobicContact CB-CG1 4.01Å
1522K69.2Low76.2Confident95 Ų9560.2 Ų60.241%0.41333%0.329SS..  trans-67.6146.4170.4-62.9163.7176.2178.10109.4S1174 T1524 D1525 I1526S1174-K1522 WeakPolarHBondContact OG-CG 3.27Å; K1522-T1524 VanDerWaalsContact CB-OG1 3.27Å; K1522-T1524 WeakPolarHBondContact CB-OG1 3.47Å; K1522-T1524 PolarHBondContact O-N 3.39Å; K1522-D1525 HydrophobicContact CB-CB 4.4Å; K1522-D1525 WeakPolarHBondContact CB-OD2 3.48Å; K1522-D1525 PolarHBondContact O-N 2.74Å; K1522-I1526 WeakPolarHBondContact O-CG1 3.41Å; K1522-I1526 PolarHBondContact O-N 3.28Å; K1522-I1526 VanDerWaalsContact O-N 3.08Å
1523L74.8Confident75.8Confident18 Ų1861.2 Ų61.29%0.09434%0.341CS..Hα-helixtrans-64.1-26.3174.8-8474.7000112.7V1171 R1292 V1295 D1525 R1527V1171-L1523 HydrophobicContact CG1-CD1 4.2Å; V1171-L1523 HydrophobicContact CG1-CD2 3.69Å; R1292-L1523 HydrophobicContact CB-CD2 4.48Å; V1295-L1523 HydrophobicContact CB-CD2 3.83Å; V1295-L1523 HydrophobicContact CG1-CD2 3.72Å; L1523-D1525 VanDerWaalsContact C-N 3.32Å; L1523-R1527 VanDerWaalsContact O-CB 3.22Å; L1523-R1527 WeakPolarHBondContact O-CB 3.16Å; L1523-R1527 PolarHBondContact O-N 3.27Å
1524T74Confident75.8Confident74 Ų7461.4 Ų61.445%0.45434%0.342SS..Hα-helixtrans-59.5-45.1170.345.50000111.2K1522 R1527 S1528K1522-T1524 VanDerWaalsContact CB-OG1 3.27Å; K1522-T1524 WeakPolarHBondContact CB-OG1 3.47Å; K1522-T1524 PolarHBondContact O-N 3.39Å; T1524-R1527 WeakPolarHBondContact O-CB 3.18Å; T1524-R1527 PolarHBondContact O-N 3.45Å; T1524-S1528 PolarHBondContact O-N 2.84Å; T1524-S1528 PolarHBondContact O-OG 2.88Å
1525D78.7Confident75.5Confident74 Ų7454.7 Ų54.740%0.39631%0.311SS..Hα-helixtrans-74.4-37.6-173.9-45.9-6000109.9K1522 L1523 S1528 A1529K1522-D1525 HydrophobicContact CB-CB 4.4Å; K1522-D1525 WeakPolarHBondContact CB-OD2 3.48Å; K1522-D1525 PolarHBondContact O-N 2.74Å; L1523-D1525 VanDerWaalsContact C-N 3.32Å; D1525-S1528 WeakPolarHBondContact CA-OG 3.38Å; D1525-S1528 PolarHBondContact O-N 2.79Å; D1525-S1528 PolarHBondContact O-OG 2.93Å; D1525-A1529 VanDerWaalsContact O-CB 3.31Å; D1525-A1529 WeakPolarHBondContact O-CB 3.41Å; D1525-A1529 PolarHBondContact O-N 2.89Å
1526I77.1Confident75.4Confident2 Ų257.1 Ų57.11%0.0132%0.32CS..Hα-helixtrans-60.7-46.7169-62.1168.3000109.8I1296 S1515 R1521 K1522 S1528 A1529 V1530I1296-I1526 HydrophobicContact CD1-CG2 3.87Å; S1515-I1526 WeakPolarHBondContact O-CD1 3.49Å; R1521-I1526 HydrophobicContact CB-CD1 4.2Å; R1521-I1526 HydrophobicContact CB-CG1 4.01Å; K1522-I1526 WeakPolarHBondContact O-CG1 3.41Å; K1522-I1526 PolarHBondContact O-N 3.28Å; K1522-I1526 VanDerWaalsContact O-N 3.08Å; I1526-S1528 VanDerWaalsContact C-N 3.3Å; I1526-S1528 PolarHBondContact O-N 2.85Å; I1526-A1529 PolarHBondContact O-N 3.32Å; I1526-A1529 VanDerWaalsContact O-N 3.13Å; I1526-V1530 HydrophobicContact CG2-CG2 4.21Å; I1526-V1530 VanDerWaalsContact O-CG2 3.26Å; I1526-V1530 WeakPolarHBondContact O-CG2 3.22Å; I1526-V1530 PolarHBondContact O-N 2.83Å
1527R76.2Confident75.5Confident73 Ų7360 Ų6028%0.27534%0.335SS..Hα-helixtrans-63.2-32179.1179.4179.5166.2111.27.2113.1I1296 N1299 L1523 T1524 L1532I1296-R1527 PolarHBondContact O-NH1 2.94Å; N1299-R1527 VanDerWaalsContact CG-NH2 3.29Å; N1299-R1527 PolarHBondContact ND2-NH2 2.95Å; N1299-R1527 PolarHBondContact OD1-NH1 2.92Å; N1299-R1527 PolarHBondContact OD1-NH2 3.4Å; L1523-R1527 VanDerWaalsContact O-CB 3.22Å; L1523-R1527 WeakPolarHBondContact O-CB 3.16Å; L1523-R1527 PolarHBondContact O-N 3.27Å; T1524-R1527 WeakPolarHBondContact O-CB 3.18Å; T1524-R1527 PolarHBondContact O-N 3.45Å; R1527-L1532 HydrophobicContact CG-CD1 4.15Å
1528S76.5Confident75.6Confident100 Ų10059.4 Ų59.470%0.69933%0.331SS*.Hα-helixtrans-80.8-22.9173.252.40000114.2T1524 D1525 I1526T1524-S1528 PolarHBondContact O-N 2.84Å; T1524-S1528 PolarHBondContact O-OG 2.88Å; D1525-S1528 WeakPolarHBondContact CA-OG 3.38Å; D1525-S1528 PolarHBondContact O-N 2.79Å; D1525-S1528 PolarHBondContact O-OG 2.93Å; I1526-S1528 VanDerWaalsContact C-N 3.3Å; I1526-S1528 PolarHBondContact O-N 2.85Å
1529A77.9Confident75.6Confident72 Ų7262 Ų6260%0.59534%0.341SS*.Hα-helixtrans-85.4-18.1176.600000113.3D1525 I1526D1525-A1529 VanDerWaalsContact O-CB 3.31Å; D1525-A1529 WeakPolarHBondContact O-CB 3.41Å; D1525-A1529 PolarHBondContact O-N 2.89Å; I1526-A1529 PolarHBondContact O-N 3.32Å; I1526-A1529 VanDerWaalsContact O-N 3.13Å
1530V74.5Confident76.1Confident6 Ų662.8 Ų62.84%0.03635%0.347CS..SBendtrans-88.9120.1176.3170.80000109.4L1508 I1526 L1532 L1535L1508-V1530 HydrophobicContact CD1-CG1 4.09Å; L1508-V1530 HydrophobicContact CD1-CG2 4.22Å; I1526-V1530 HydrophobicContact CG2-CG2 4.21Å; I1526-V1530 VanDerWaalsContact O-CG2 3.26Å; I1526-V1530 WeakPolarHBondContact O-CG2 3.22Å; I1526-V1530 PolarHBondContact O-N 2.83Å; V1530-L1532 VanDerWaalsContact C-N 3.28Å; V1530-L1532 PolarHBondContact O-N 3.15Å; V1530-L1535 HydrophobicContact CG1-CD1 3.44Å; V1530-L1535 VanDerWaalsContact CG1-CD1 3.44Å; V1530-L1535 HydrophobicContact CG1-CG 4.36Å
1531D75.2Confident76.2Confident121 Ų12162.1 Ų62.165%0.64735%0.345SS*.  trans-66.284.5173-99.9-32.9000111.1P1533 S1534D1531-P1533 VanDerWaalsContact C-CD 3.42Å; D1531-P1533 VanDerWaalsContact C-N 3.33Å; D1531-S1534 WeakPolarHBondContact O-CB 3.5Å; D1531-S1534 PolarHBondContact O-N 2.99Å; D1531-S1534 PolarHBondContact O-OG 3.47Å
1532L72.6Confident76.7Confident42 Ų4261 Ų6122%0.2235%0.349CS..Hα-helixtrans-48.7-43.7178.7-83.5149.4000113.4R1527 V1530 S1534 L1535 Q1536R1527-L1532 HydrophobicContact CG-CD1 4.15Å; V1530-L1532 VanDerWaalsContact C-N 3.28Å; V1530-L1532 PolarHBondContact O-N 3.15Å; L1532-S1534 VanDerWaalsContact C-N 3.27Å; L1532-S1534 PolarHBondContact O-N 2.79Å; L1532-L1535 PolarHBondContact O-N 2.85Å; L1532-L1535 VanDerWaalsContact O-N 3.1Å; L1532-Q1536 WeakPolarHBondContact O-CG 3.37Å; L1532-Q1536 PolarHBondContact O-N 2.91Å
1533P74.8Confident77.4Confident79 Ų7958.6 Ų58.651%0.51334%0.341SS..Hα-helixtrans-60.2-33.4177-24.435.5000113.7D1531 L1535 Q1536D1531-P1533 VanDerWaalsContact C-CD 3.42Å; D1531-P1533 VanDerWaalsContact C-N 3.33Å; P1533-L1535 PolarHBondContact O-N 3.43Å; P1533-Q1536 PolarHBondContact O-N 2.86Å
1534S78.5Confident77.6Confident70 Ų7057.8 Ų57.849%0.4934%0.337SS..Hα-helixtrans-69.4-21.8178800000113.1K1507 D1531 L1532K1507-S1534 PolarHBondContact NZ-O 3.42Å; D1531-S1534 WeakPolarHBondContact O-CB 3.5Å; D1531-S1534 PolarHBondContact O-N 2.99Å; D1531-S1534 PolarHBondContact O-OG 3.47Å; L1532-S1534 VanDerWaalsContact C-N 3.27Å; L1532-S1534 PolarHBondContact O-N 2.79Å
1535L75.2Confident77.8Confident7 Ų759.4 Ų59.44%0.03734%0.339CS..Hα-helixtrans-85.3-23.7176.3-65177.4000112.7E1504 K1507 L1508 V1530 L1532 P1533 L1537E1504-L1535 WeakPolarHBondContact CG-O 3.27Å; K1507-L1535 HydrophobicContact CB-CD2 4.21Å; K1507-L1535 HydrophobicContact CD-CD2 3.89Å; K1507-L1535 HydrophobicContact CG-CD2 3.79Å; L1508-L1535 HydrophobicContact CB-CD1 4.38Å; L1508-L1535 HydrophobicContact CD1-CD1 4.03Å; V1530-L1535 HydrophobicContact CG1-CD1 3.44Å; V1530-L1535 VanDerWaalsContact CG1-CD1 3.44Å; V1530-L1535 HydrophobicContact CG1-CG 4.36Å; L1532-L1535 PolarHBondContact O-N 2.85Å; L1532-L1535 VanDerWaalsContact O-N 3.1Å; P1533-L1535 PolarHBondContact O-N 3.43Å; L1535-L1537 PolarHBondContact O-N 3.1Å
1536Q78.3Confident78.2Confident71 Ų7162.7 Ų62.733%0.33235%0.35SS..  trans-67.6125.3-173.3-71.2175.27.700112.4E1504 L1532 P1533E1504-Q1536 WeakPolarHBondContact OE1-CA 3.48Å; L1532-Q1536 WeakPolarHBondContact O-CG 3.37Å; L1532-Q1536 PolarHBondContact O-N 2.91Å; P1533-Q1536 PolarHBondContact O-N 2.86Å
1537L81.7Confident78.6Confident61 Ų6163.7 Ų63.732%0.31936%0.355SS..SBendtrans-91.1-9.1178.4-74.5166.3000114.5V1500 K1503 E1504 L1535 M1547V1500-L1537 HydrophobicContact CG1-CB 4.38Å; K1503-L1537 HydrophobicContact CB-CD1 3.5Å; E1504-L1537 HydrophobicContact CG-CD1 3.9Å; E1504-L1537 HydrophobicContact CG-CG 4.15Å; E1504-L1537 PolarHBondContact OE1-N 3.18Å; L1535-L1537 PolarHBondContact O-N 3.1Å; L1537-M1547 HydrophobicContact CB-CE 4.27Å; L1537-M1547 HydrophobicContact CD1-CE 3.89Å
1538V81.5Confident78.8Confident0 Ų060.9 Ų60.90%035%0.345CS..  trans-138.3118.9-171.2-177.90000108.8R1300 L1304 Y1496 V1500 D1543 V1544 M1547R1300-V1538 PolarHBondContact NH1-O 3.48Å; R1300-V1538 PolarHBondContact NH2-O 2.86Å; L1304-V1538 HydrophobicContact CD2-CB 3.82Å; L1304-V1538 HydrophobicContact CD2-CG1 4.15Å; L1304-V1538 HydrophobicContact CD2-CG2 4.02Å; Y1496-V1538 WeakPolarHBondContact OH-CG1 3.42Å; Y1496-V1538 WeakPolarHBondContact OH-CG2 3.44Å; V1500-V1538 HydrophobicContact CG1-CG2 4.18Å; V1500-V1538 HydrophobicContact CG2-CG2 4.29Å; V1538-D1543 HydrophobicContact CB-CB 4.42Å; V1538-D1543 HydrophobicContact CG1-CB 4.19Å; V1538-V1544 HydrophobicContact CG1-CG2 3.88Å; V1538-M1547 HydrophobicContact CG2-CG 4.03Å
1539Q76.4Confident79.1Confident121 Ų12159.6 Ų59.657%0.56533%0.333SS*.SBendtrans-131.9-35.3175.5-65.8-177.1-6.100112D1543Q1539-D1543 PolarHBondContact N-OD2 2.83Å
1540S79.7Confident79.4Confident39 Ų3958 Ų5827%0.27332%0.32SS..SBendtrans-108.6166.7179.370.30000113.3N1542 D1543 V1544S1540-N1542 VanDerWaalsContact C-N 3.28Å; S1540-N1542 PolarHBondContact O-N 2.96Å; S1540-D1543 WeakPolarHBondContact CB-OD2 3.5Å; S1540-D1543 PolarHBondContact N-OD2 3.14Å; S1540-D1543 PolarHBondContact O-N 3.04Å; S1540-D1543 PolarHBondContact OG-N 3.11Å; S1540-D1543 PolarHBondContact OG-OD2 2.86Å; S1540-V1544 PolarHBondContact O-N 2.97Å
1541A75.5Confident79.9Confident46 Ų4657.9 Ų57.938%0.3832%0.319SS..Hα-helixtrans-63.1-32.9172.700000112.8D1543 V1544 E1545A1541-D1543 VanDerWaalsContact C-N 3.33Å; A1541-D1543 PolarHBondContact O-N 2.91Å; A1541-V1544 VanDerWaalsContact O-CB 3.28Å; A1541-V1544 WeakPolarHBondContact O-CB 3.49Å; A1541-V1544 PolarHBondContact O-N 3.35Å; A1541-V1544 VanDerWaalsContact O-N 3.15Å; A1541-E1545 PolarHBondContact O-N 3.38Å
1542N82.3Confident80Confident110 Ų11053.1 Ų53.159%0.58830%0.295SS*.Hα-helixtrans-68.3-31.6176.2-66-22.7000112.3S1540 V1544 E1545 K1546S1540-N1542 VanDerWaalsContact C-N 3.28Å; S1540-N1542 PolarHBondContact O-N 2.96Å; N1542-V1544 PolarHBondContact O-N 3.44Å; N1542-E1545 PolarHBondContact O-N 3.29Å; N1542-K1546 WeakPolarHBondContact O-CB 3.46Å; N1542-K1546 PolarHBondContact O-N 3.47Å
1543D83.9Confident80.5Confident44 Ų4454.5 Ų54.524%0.23531%0.305CS..Hα-helixtrans-67.5-28173-59.8-50.9000111.8V1538 Q1539 S1540 A1541 M1547V1538-D1543 HydrophobicContact CB-CB 4.42Å; V1538-D1543 HydrophobicContact CG1-CB 4.19Å; Q1539-D1543 PolarHBondContact N-OD2 2.83Å; S1540-D1543 WeakPolarHBondContact CB-OD2 3.5Å; S1540-D1543 PolarHBondContact N-OD2 3.14Å; S1540-D1543 PolarHBondContact O-N 3.04Å; S1540-D1543 PolarHBondContact OG-N 3.11Å; S1540-D1543 PolarHBondContact OG-OD2 2.86Å; A1541-D1543 VanDerWaalsContact C-N 3.33Å; A1541-D1543 PolarHBondContact O-N 2.91Å; D1543-M1547 WeakPolarHBondContact O-CB 3.43Å; D1543-M1547 VanDerWaalsContact O-CG 3.28Å; D1543-M1547 WeakPolarHBondContact O-CG 3.47Å; D1543-M1547 PolarHBondContact O-N 3.28Å
1544V80Confident80.8Confident2 Ų253.7 Ų53.71%0.01230%0.296CS..Hα-helixtrans-63.1-54.9173.9-175.90000109.5L1308 Y1496 V1538 S1540 A1541 N1542 K1546 M1547 E1548L1308-V1544 HydrophobicContact CD1-CG1 4.15Å; Y1496-V1544 HydrophobicContact CE2-CG1 4Å; V1538-V1544 HydrophobicContact CG1-CG2 3.88Å; S1540-V1544 PolarHBondContact O-N 2.97Å; A1541-V1544 VanDerWaalsContact O-CB 3.28Å; A1541-V1544 WeakPolarHBondContact O-CB 3.49Å; A1541-V1544 PolarHBondContact O-N 3.35Å; A1541-V1544 VanDerWaalsContact O-N 3.15Å; N1542-V1544 PolarHBondContact O-N 3.44Å; V1544-K1546 VanDerWaalsContact C-N 3.34Å; V1544-K1546 PolarHBondContact O-N 3.3Å; V1544-M1547 CarbonylContact O-C 3.57Å; V1544-M1547 PolarHBondContact O-N 2.89Å; V1544-M1547 VanDerWaalsContact O-N 3.1Å; V1544-E1548 HydrophobicContact CG1-CG 4.37Å; V1544-E1548 WeakPolarHBondContact O-CG 3.29Å; V1544-E1548 PolarHBondContact O-N 3.18Å
1545E78.4Confident81Confident108 Ų10851.3 Ų51.351%0.50528%0.277SS..Hα-helixtrans-59.7-42.3179.3-171.7-174.2169.100112.3A1541 N1542 M1547 E1548 T1549A1541-E1545 PolarHBondContact O-N 3.38Å; N1542-E1545 PolarHBondContact O-N 3.29Å; E1545-M1547 VanDerWaalsContact C-N 3.31Å; E1545-M1547 PolarHBondContact O-N 2.94Å; E1545-E1548 PolarHBondContact O-N 2.94Å; E1545-T1549 WeakPolarHBondContact O-CG2 3.4Å; E1545-T1549 PolarHBondContact O-N 3.1Å; E1545-T1549 PolarHBondContact O-OG1 3.13Å
1546K85.4Confident81.1Confident143 Ų14356.1 Ų56.162%0.62230%0.299SS*.Hα-helixtrans-61.6-36.7175.7-176.1-180177.9-177.60112.9N1542 V1544 T1549 A1550N1542-K1546 WeakPolarHBondContact O-CB 3.46Å; N1542-K1546 PolarHBondContact O-N 3.47Å; V1544-K1546 VanDerWaalsContact C-N 3.34Å; V1544-K1546 PolarHBondContact O-N 3.3Å; K1546-T1549 WeakPolarHBondContact CA-OG1 3.42Å; K1546-T1549 PolarHBondContact O-OG1 2.9Å; K1546-A1550 PolarHBondContact O-N 2.87Å
1547M85.7Confident81.3Confident22 Ų2260.2 Ų60.211%0.10832%0.318CS..Hα-helixtrans-80.9-31.9176.6-70.9-63.1-72.400112Y1496 F1499 V1500 L1537 V1538 D1543 V1544 E1545 A1550 V1551Y1496-M1547 HydrophobicContact CD2-CB 4.43Å; Y1496-M1547 HydrophobicContact CE2-CB 3.68Å; F1499-M1547 HydrophobicContact CD1-CE 4Å; F1499-M1547 HydrophobicContact CE1-CE 3.96Å; V1500-M1547 HydrophobicContact CB-CE 4.41Å; V1500-M1547 HydrophobicContact CG2-CB 4.31Å; V1500-M1547 HydrophobicContact CG2-CE 3.75Å; L1537-M1547 HydrophobicContact CB-CE 4.27Å; L1537-M1547 HydrophobicContact CD1-CE 3.89Å; V1538-M1547 HydrophobicContact CG2-CG 4.03Å; D1543-M1547 WeakPolarHBondContact O-CB 3.43Å; D1543-M1547 VanDerWaalsContact O-CG 3.28Å; D1543-M1547 WeakPolarHBondContact O-CG 3.47Å; D1543-M1547 PolarHBondContact O-N 3.28Å; V1544-M1547 CarbonylContact O-C 3.57Å; V1544-M1547 PolarHBondContact O-N 2.89Å; V1544-M1547 VanDerWaalsContact O-N 3.1Å; E1545-M1547 VanDerWaalsContact C-N 3.31Å; E1545-M1547 PolarHBondContact O-N 2.94Å; M1547-A1550 PolarHBondContact O-N 3.2Å; M1547-V1551 WeakPolarHBondContact O-CB 3.41Å; M1547-V1551 WeakPolarHBondContact O-CG2 3.4Å; M1547-V1551 PolarHBondContact O-N 3.1Å
1548E81.1Confident81.1Confident14 Ų1460.2 Ų60.27%0.06532%0.316CS..Hα-helixtrans-64.2-41.2172.3-73.9-173.8109.500112.4K1311 R1492 Y1496 V1544 E1545 V1551 S1552K1311-E1548 IonicContact NZ-OE2 3.85Å; R1492-E1548 WeakPolarHBondContact CD-OE1 3.43Å; R1492-E1548 IonicContact CZ-OE1 3.97Å; R1492-E1548 IonicContact NE-OE1 2.73Å; R1492-E1548 IonicContact NH1-OE1 3.38Å; Y1496-E1548 HydrophobicContact CD2-CG 3.49Å; Y1496-E1548 VanDerWaalsContact CD2-CG 3.49Å; Y1496-E1548 HydrophobicContact CE2-CG 3.84Å; Y1496-E1548 HydrophobicContact CG-CG 4.36Å; V1544-E1548 HydrophobicContact CG1-CG 4.37Å; V1544-E1548 WeakPolarHBondContact O-CG 3.29Å; V1544-E1548 PolarHBondContact O-N 3.18Å; E1545-E1548 PolarHBondContact O-N 2.94Å; E1548-V1551 WeakPolarHBondContact O-CB 3.3Å; E1548-V1551 PolarHBondContact O-N 2.99Å; E1548-S1552 PolarHBondContact O-N 3.43Å
1549T82.2Confident81.1Confident73 Ų7363 Ų6345%0.44834%0.336SS..Hα-helixtrans-67.9-38.9173.648.60000112.5E1545 K1546 V1551 S1552 V1553E1545-T1549 WeakPolarHBondContact O-CG2 3.4Å; E1545-T1549 PolarHBondContact O-N 3.1Å; E1545-T1549 PolarHBondContact O-OG1 3.13Å; K1546-T1549 WeakPolarHBondContact CA-OG1 3.42Å; K1546-T1549 PolarHBondContact O-OG1 2.9Å; T1549-V1551 VanDerWaalsContact C-N 3.29Å; T1549-V1551 PolarHBondContact O-N 3.08Å; T1549-S1552 PolarHBondContact O-N 3.23Å; T1549-S1552 PolarHBondContact O-OG 2.8Å; T1549-V1553 WeakPolarHBondContact O-CG2 3.3Å; T1549-V1553 PolarHBondContact O-N 3.3Å; T1549-V1553 VanDerWaalsContact O-N 3.17Å
1550A85.7Confident81.1Confident38 Ų3859 Ų5931%0.31432%0.32SS..Hα-helixtrans-61.3-37.7172.100000112.5F1499 K1546 M1547 D1554F1499-A1550 HydrophobicContact CE1-CB 4.29Å; K1546-A1550 PolarHBondContact O-N 2.87Å; M1547-A1550 PolarHBondContact O-N 3.2Å; A1550-D1554 PolarHBondContact O-N 2.85Å; A1550-D1554 VanDerWaalsContact O-N 3.14Å
1551V84.3Confident80.9Confident4 Ų460 Ų602%0.02433%0.331CS..Hα-helixtrans-67.7-40.5176.5168.80000112.3R1495 F1499 M1547 E1548 T1549 W1555R1495-V1551 HydrophobicContact CG-CG1 3.66Å; F1499-V1551 HydrophobicContact CB-CG2 3.53Å; F1499-V1551 HydrophobicContact CD1-CG2 3.35Å; F1499-V1551 HydrophobicContact CD2-CG2 4.17Å; F1499-V1551 HydrophobicContact CE1-CG2 4Å; F1499-V1551 HydrophobicContact CG-CG2 3.44Å; F1499-V1551 VanDerWaalsContact CG-CG2 3.44Å; M1547-V1551 WeakPolarHBondContact O-CB 3.41Å; M1547-V1551 WeakPolarHBondContact O-CG2 3.4Å; M1547-V1551 PolarHBondContact O-N 3.1Å; E1548-V1551 WeakPolarHBondContact O-CB 3.3Å; E1548-V1551 PolarHBondContact O-N 2.99Å; T1549-V1551 VanDerWaalsContact C-N 3.29Å; T1549-V1551 PolarHBondContact O-N 3.08Å; V1551-W1555 PolarHBondContact O-N 3.19Å; V1551-W1555 VanDerWaalsContact O-N 3.16Å
1552S77.4Confident81.1Confident21 Ų2159.6 Ų59.615%0.14732%0.324CS..Hα-helixtrans-66-39.6178.570.70000111.4E1548 T1549 W1555 Q1556E1548-S1552 PolarHBondContact O-N 3.43Å; T1549-S1552 PolarHBondContact O-N 3.23Å; T1549-S1552 PolarHBondContact O-OG 2.8Å; S1552-W1555 PolarHBondContact O-N 3.09Å; S1552-Q1556 WeakPolarHBondContact O-CB 3.31Å; S1552-Q1556 WeakPolarHBondContact O-CG 3.39Å; S1552-Q1556 PolarHBondContact O-N 3.39Å
1553V83.3Confident81.2Confident71 Ų7156.4 Ų56.443%0.4330%0.304SS..Hα-helixtrans-64.4-46.9175.9174.30000112.2T1549 W1555 Q1556 Q1557T1549-V1553 WeakPolarHBondContact O-CG2 3.3Å; T1549-V1553 PolarHBondContact O-N 3.3Å; T1549-V1553 VanDerWaalsContact O-N 3.17Å; V1553-W1555 VanDerWaalsContact C-N 3.27Å; V1553-W1555 PolarHBondContact O-N 2.93Å; V1553-Q1556 PolarHBondContact O-N 3.09Å; V1553-Q1557 WeakPolarHBondContact O-CG 3.29Å; V1553-Q1557 PolarHBondContact O-N 3.04Å; V1553-Q1557 VanDerWaalsContact O-N 3.13Å
1554D81.4Confident81.3Confident62 Ų6256.1 Ų56.133%0.33230%0.302SS..Hα-helixtrans-60.1-35.7176.6174.182.1000112.5F1499 A1550 K1558F1499-D1554 HydrophobicContact CE2-CB 4.02Å; A1550-D1554 PolarHBondContact O-N 2.85Å; A1550-D1554 VanDerWaalsContact O-N 3.14Å; D1554-K1558 VanDerWaalsContact O-CE 3.24Å; D1554-K1558 WeakPolarHBondContact O-CE 3.32Å; D1554-K1558 IonicContact OD1-NZ 3.22Å; D1554-K1558 IonicContact OD2-NZ 3.4Å; D1554-K1558 PolarHBondContact OD2-NZ 3.07Å
1555W82.5Confident81.5Confident20 Ų2061.3 Ų61.38%0.07633%0.329CS..Hα-helixtrans-73.4-41.8175.5-177.784.1000112.3S1484 V1485 N1488 V1551 S1552 V1553 Q1557 K1558 R1563S1484-W1555 WeakPolarHBondContact OG-CH2 3.24Å; V1485-W1555 HydrophobicContact CG2-CH2 3.87Å; V1485-W1555 HydrophobicContact CG2-CZ3 4.28Å; N1488-W1555 HydrophobicContact CB-CH2 4.23Å; N1488-W1555 HydrophobicContact CB-CZ2 3.81Å; N1488-W1555 VanDerWaalsContact ND2-CE3 3.26Å; N1488-W1555 WeakPolarHBondContact ND2-CH2 3.39Å; N1488-W1555 WeakPolarHBondContact ND2-CZ2 3.36Å; N1488-W1555 WeakPolarHBondContact ND2-CZ3 3.28Å; V1551-W1555 PolarHBondContact O-N 3.19Å; V1551-W1555 VanDerWaalsContact O-N 3.16Å; S1552-W1555 PolarHBondContact O-N 3.09Å; V1553-W1555 VanDerWaalsContact C-N 3.27Å; V1553-W1555 PolarHBondContact O-N 2.93Å; W1555-Q1557 VanDerWaalsContact C-N 3.28Å; W1555-Q1557 PolarHBondContact O-N 3.34Å; W1555-K1558 PolarHBondContact O-N 3.3Å; W1555-R1563 HydrophobicContact CD2-CG 4.23Å; W1555-R1563 HydrophobicContact CH2-CB 4.48Å; W1555-R1563 HydrophobicContact CZ2-CB 3.73Å; W1555-R1563 HydrophobicContact CZ2-CG 4.18Å; W1555-R1563 PolarHBondContact NE1-O 2.94Å; W1555-R1563 WeakPolarHBondContact O-CG 3.2Å
1556Q77.5Confident81.7Confident108 Ų10858.4 Ų58.451%0.50532%0.317SS..Hα-helixtrans-63.1-29.5178.3-77.7-179.20.100113.3S1552 V1553 K1558 R1563S1552-Q1556 WeakPolarHBondContact O-CB 3.31Å; S1552-Q1556 WeakPolarHBondContact O-CG 3.39Å; S1552-Q1556 PolarHBondContact O-N 3.39Å; V1553-Q1556 PolarHBondContact O-N 3.09Å; Q1556-K1558 PolarHBondContact O-N 3Å; Q1556-R1563 PolarHBondContact O-NE 3.26Å; Q1556-R1563 PolarHBondContact O-NH2 3.33Å
1557Q81.1Confident81.7Confident157 Ų15751.6 Ų51.673%0.73429%0.288SS*.THydrogen-bonded Turntrans-68.9-13.2178-71.717810.300114.5V1553 W1555V1553-Q1557 WeakPolarHBondContact O-CG 3.29Å; V1553-Q1557 PolarHBondContact O-N 3.04Å; V1553-Q1557 VanDerWaalsContact O-N 3.13Å; W1555-Q1557 VanDerWaalsContact C-N 3.28Å; W1555-Q1557 PolarHBondContact O-N 3.34Å
1558K78.2Confident81.7Confident61 Ų6153.2 Ų53.227%0.26530%0.299SS..SBendtrans-85.9159.1-178.7-65.8163.6-168.9162.20111.5D1554 W1555 Q1556 R1563D1554-K1558 VanDerWaalsContact O-CE 3.24Å; D1554-K1558 WeakPolarHBondContact O-CE 3.32Å; D1554-K1558 IonicContact OD1-NZ 3.22Å; D1554-K1558 IonicContact OD2-NZ 3.4Å; D1554-K1558 PolarHBondContact OD2-NZ 3.07Å; W1555-K1558 PolarHBondContact O-N 3.3Å; Q1556-K1558 PolarHBondContact O-N 3Å; K1558-R1563 HydrophobicContact CB-CG 4.12Å; K1558-R1563 PolarHBondContact O-NE 3.24Å; K1558-R1563 PolarHBondContact O-NH2 3.46Å
1559S81.5Confident81.9Confident60 Ų6056.7 Ų56.742%0.4232%0.321SS..  trans-70152.6178.167.90000111.7A1561 T1562 R1563S1559-A1561 VanDerWaalsContact C-N 3.31Å; S1559-A1561 PolarHBondContact O-N 2.89Å; S1559-T1562 PolarHBondContact N-OG1 3.32Å; S1559-T1562 VanDerWaalsContact N-OG1 3.07Å; S1559-T1562 CarbonylContact O-C 3.57Å; S1559-T1562 PolarHBondContact O-N 3.01Å; S1559-T1562 PolarHBondContact O-OG1 2.96Å; S1559-T1562 WeakPolarHBondContact OG-CG2 3.22Å; S1559-T1562 PolarHBondContact OG-OG1 2.85Å; S1559-R1563 WeakPolarHBondContact O-CG 3.48Å; S1559-R1563 PolarHBondContact O-N 3.39Å
1560S75.5Confident82.1Confident35 Ų3555 Ų5525%0.24531%0.309CS..Hα-helixtrans-52.2-43.3-176.254.60000113.9D1481 R1563 L1564D1481-S1560 WeakPolarHBondContact OD1-CB 3.49Å; S1560-R1563 WeakPolarHBondContact O-CB 3.47Å; S1560-R1563 PolarHBondContact O-N 3.2Å; S1560-L1564 PolarHBondContact O-N 3.02Å
1561A76.1Confident82.1Confident61 Ų6154.6 Ų54.650%0.50430%0.303SS..Hα-helixtrans-65.4-37.9175.500000113.3S1559 L1565S1559-A1561 VanDerWaalsContact C-N 3.31Å; S1559-A1561 PolarHBondContact O-N 2.89Å; A1561-L1565 PolarHBondContact O-N 3.33Å
1562T79.8Confident82.2Confident37 Ų3758.3 Ų58.323%0.22732%0.322CS..Hα-helixtrans-78.2-27.917757.10000112.5S1559 N1566S1559-T1562 PolarHBondContact N-OG1 3.32Å; S1559-T1562 VanDerWaalsContact N-OG1 3.07Å; S1559-T1562 CarbonylContact O-C 3.57Å; S1559-T1562 PolarHBondContact O-N 3.01Å; S1559-T1562 PolarHBondContact O-OG1 2.96Å; S1559-T1562 WeakPolarHBondContact OG-CG2 3.22Å; S1559-T1562 PolarHBondContact OG-OG1 2.85Å; T1562-N1566 VanDerWaalsContact O-CB 3.32Å; T1562-N1566 WeakPolarHBondContact O-CB 3.37Å; T1562-N1566 VanDerWaalsContact O-CG 3.27Å; T1562-N1566 PolarHBondContact O-N 3.01Å; T1562-N1566 PolarHBondContact O-ND2 3.15Å
1563R83.4Confident82.5Confident43 Ų4357.5 Ų57.516%0.16232%0.318CS..Hα-helixtrans-60.5-48167.6-72.6-175.5-157.5146.6-3.4111.1D1481 W1555 Q1556 K1558 S1559 S1560 N1566 A1567D1481-R1563 IonicContact OD1-CZ 2.72Å; D1481-R1563 IonicContact OD1-NH1 3.13Å; D1481-R1563 PolarHBondContact OD1-NH1 2.8Å; D1481-R1563 IonicContact OD2-NH1 3.68Å; D1481-R1563 PolarHBondContact OD2-NH1 3.35Å; W1555-R1563 HydrophobicContact CD2-CG 4.23Å; W1555-R1563 HydrophobicContact CH2-CB 4.48Å; W1555-R1563 HydrophobicContact CZ2-CB 3.73Å; W1555-R1563 HydrophobicContact CZ2-CG 4.18Å; W1555-R1563 PolarHBondContact NE1-O 2.94Å; W1555-R1563 WeakPolarHBondContact O-CG 3.2Å; Q1556-R1563 PolarHBondContact O-NE 3.26Å; Q1556-R1563 PolarHBondContact O-NH2 3.33Å; K1558-R1563 HydrophobicContact CB-CG 4.12Å; K1558-R1563 PolarHBondContact O-NE 3.24Å; K1558-R1563 PolarHBondContact O-NH2 3.46Å; S1559-R1563 WeakPolarHBondContact O-CG 3.48Å; S1559-R1563 PolarHBondContact O-N 3.39Å; S1560-R1563 WeakPolarHBondContact O-CB 3.47Å; S1560-R1563 PolarHBondContact O-N 3.2Å; R1563-N1566 PolarHBondContact O-N 3.38Å; R1563-A1567 WeakPolarHBondContact O-CB 3.38Å; R1563-A1567 PolarHBondContact O-N 3.04Å
1564L86.4Confident82.5Confident39 Ų3955.7 Ų55.720%0.20431%0.31CS..Hα-helixtrans-61.9-49.6177.3-177.964.3000111.6L1480 C1483 L1487 S1560 N1566 A1567 V1568L1480-L1564 HydrophobicContact CD2-CD2 3.75Å; C1483-L1564 HydrophobicContact CB-CD1 4.41Å; L1487-L1564 HydrophobicContact CD1-CD1 3.79Å; S1560-L1564 PolarHBondContact O-N 3.02Å; L1564-N1566 VanDerWaalsContact C-N 3.34Å; L1564-N1566 PolarHBondContact O-N 2.98Å; L1564-A1567 WeakPolarHBondContact O-CB 3.43Å; L1564-A1567 PolarHBondContact O-N 3.39Å; L1564-A1567 VanDerWaalsContact O-N 3.11Å; L1564-V1568 WeakPolarHBondContact O-CG2 3.49Å; L1564-V1568 PolarHBondContact O-N 3.42Å
1565L84.1Confident82.7Confident111 Ų11156.2 Ų56.258%0.58131%0.31SS*.Hα-helixtrans-59.4-43.5178.7-175.865.1000112A1561 V1568 V1569A1561-L1565 PolarHBondContact O-N 3.33Å; L1565-V1568 PolarHBondContact O-N 2.93Å; L1565-V1569 WeakPolarHBondContact O-CG2 3.39Å; L1565-V1569 PolarHBondContact O-N 3.01Å
1566N83.2Confident83Confident47 Ų4755.7 Ų55.725%0.25131%0.309SS..Hα-helixtrans-65.1-37175.3-75.1-47.4000112.3T1562 R1563 L1564 N1570T1562-N1566 VanDerWaalsContact O-CB 3.32Å; T1562-N1566 WeakPolarHBondContact O-CB 3.37Å; T1562-N1566 VanDerWaalsContact O-CG 3.27Å; T1562-N1566 PolarHBondContact O-N 3.01Å; T1562-N1566 PolarHBondContact O-ND2 3.15Å; R1563-N1566 PolarHBondContact O-N 3.38Å; L1564-N1566 VanDerWaalsContact C-N 3.34Å; L1564-N1566 PolarHBondContact O-N 2.98Å; N1566-N1570 VanDerWaalsContact O-CB 3.27Å; N1566-N1570 WeakPolarHBondContact O-CB 3.47Å; N1566-N1570 PolarHBondContact O-N 3.23Å; N1566-N1570 PolarHBondContact O-ND2 3.41Å
1567A85.2Confident83.4Confident0 Ų053 Ų530%030%0.298CS..Hα-helixtrans-64.9-42.9175.600000111.6L1487 N1488 R1563 L1564 N1570 C1571L1487-A1567 HydrophobicContact CB-CB 3.84Å; N1488-A1567 HydrophobicContact CB-CB 4.34Å; R1563-A1567 WeakPolarHBondContact O-CB 3.38Å; R1563-A1567 PolarHBondContact O-N 3.04Å; L1564-A1567 WeakPolarHBondContact O-CB 3.43Å; L1564-A1567 PolarHBondContact O-N 3.39Å; L1564-A1567 VanDerWaalsContact O-N 3.11Å; A1567-N1570 PolarHBondContact O-N 3.43Å; A1567-C1571 WeakPolarHBondContact O-CB 3.23Å; A1567-C1571 PolarHBondContact O-N 3.13Å
1568V86.1Confident83.6Confident56 Ų5649.8 Ų49.834%0.33929%0.285SS..Hα-helixtrans-63.1-47.4175.6173.70000111.8L1487 L1564 L1565 N1570 C1571 I1572L1487-V1568 HydrophobicContact CD1-CG2 3.75Å; L1564-V1568 WeakPolarHBondContact O-CG2 3.49Å; L1564-V1568 PolarHBondContact O-N 3.42Å; L1565-V1568 PolarHBondContact O-N 2.93Å; V1568-N1570 VanDerWaalsContact C-N 3.33Å; V1568-N1570 PolarHBondContact O-N 2.99Å; V1568-C1571 WeakPolarHBondContact O-CB 3.38Å; V1568-C1571 PolarHBondContact O-N 3.38Å; V1568-C1571 VanDerWaalsContact O-N 3.15Å; V1568-I1572 HydrophobicContact CG1-CD1 4.03Å; V1568-I1572 WeakPolarHBondContact O-CG1 3.47Å; V1568-I1572 PolarHBondContact O-N 3.05Å
1569V85.2Confident83.9Confident87 Ų8749.6 Ų49.653%0.52729%0.287SS..Hα-helixtrans-63.4-39.5178.4172.20000111.4L1565 C1571 G1573L1565-V1569 WeakPolarHBondContact O-CG2 3.39Å; L1565-V1569 PolarHBondContact O-N 3.01Å; V1569-C1571 VanDerWaalsContact C-N 3.34Å; V1569-G1573 PolarHBondContact O-N 3.01Å
1570N85.4Confident84.4Confident37 Ų3746.7 Ų46.720%0.19827%0.267CS..Hα-helixtrans-67.6-32.2174.7-73.9-26000112.6C1491 H1494 N1566 A1567 V1568 G1573 A1574C1491-N1570 HydrophobicContact CB-CB 4.07Å; H1494-N1570 PolarHBondContact ND1-O 3.17Å; N1566-N1570 VanDerWaalsContact O-CB 3.27Å; N1566-N1570 WeakPolarHBondContact O-CB 3.47Å; N1566-N1570 PolarHBondContact O-N 3.23Å; N1566-N1570 PolarHBondContact O-ND2 3.41Å; A1567-N1570 PolarHBondContact O-N 3.43Å; V1568-N1570 VanDerWaalsContact C-N 3.33Å; V1568-N1570 PolarHBondContact O-N 2.99Å; N1570-G1573 PolarHBondContact O-N 3.36Å; N1570-A1574 VanDerWaalsContact O-CB 3.31Å; N1570-A1574 WeakPolarHBondContact O-CB 3.46Å; N1570-A1574 PolarHBondContact O-N 3.5Å
1571C86.8Confident85.1Confident29 Ų2945.3 Ų45.320%0.19626%0.256CS..Hα-helixtrans-66.7-48.6176.3-169.20000111.7C1491 A1567 V1568 V1569 G1573 A1574 H1575C1491-C1571 WeakPolarHBondContact SG-CA 3.14Å; C1491-C1571 WeakPolarHBondContact SG-CB 2.93Å; C1491-C1571 PolarHBondContact SG-N 3.25Å; A1567-C1571 WeakPolarHBondContact O-CB 3.23Å; A1567-C1571 PolarHBondContact O-N 3.13Å; V1568-C1571 WeakPolarHBondContact O-CB 3.38Å; V1568-C1571 PolarHBondContact O-N 3.38Å; V1568-C1571 VanDerWaalsContact O-N 3.15Å; V1569-C1571 VanDerWaalsContact C-N 3.34Å; C1571-G1573 VanDerWaalsContact C-N 3.28Å; C1571-G1573 PolarHBondContact O-N 3.34Å; C1571-A1574 PolarHBondContact O-N 3.26Å; C1571-A1574 VanDerWaalsContact O-N 3.16Å; C1571-H1575 PolarHBondContact O-N 3.44Å; C1571-H1575 VanDerWaalsContact O-N 3.09Å
1572I86.2Confident85.6Confident82 Ų8246.5 Ų46.542%0.42125%0.25SC..Hα-helixtrans-61.4-39.4175.4-65.4168.5000110.4V1568 T1576 L1579 F1684V1568-I1572 HydrophobicContact CG1-CD1 4.03Å; V1568-I1572 WeakPolarHBondContact O-CG1 3.47Å; V1568-I1572 PolarHBondContact O-N 3.05Å; I1572-T1576 WeakPolarHBondContact O-CG2 3.41Å; I1572-L1579 HydrophobicContact CG2-CD1 4.02Å; I1572-F1684 HydrophobicContact CG2-CE1 4.26Å
1573G83.7Confident86.1Confident5 Ų546.9 Ų46.95%0.05225%0.248CC..Hα-helixtrans-66.8-34.217500000114.3V1569 N1570 C1571V1569-G1573 PolarHBondContact O-N 3.01Å; N1570-G1573 PolarHBondContact O-N 3.36Å; C1571-G1573 VanDerWaalsContact C-N 3.28Å; C1571-G1573 PolarHBondContact O-N 3.34Å
1574A83.2Confident86.5Confident32 Ų3244.8 Ų44.826%0.26424%0.241SC..Hα-helixtrans-71.8-43.9179.300000113H1494 N1570 C1571H1494-A1574 HydrophobicContact CB-CB 3.63Å; N1570-A1574 VanDerWaalsContact O-CB 3.31Å; N1570-A1574 WeakPolarHBondContact O-CB 3.46Å; N1570-A1574 PolarHBondContact O-N 3.5Å; C1571-A1574 PolarHBondContact O-N 3.26Å; C1571-A1574 VanDerWaalsContact O-N 3.16Å
1575H85Confident86.7Confident73 Ų7343.1 Ų43.134%0.33823%0.232SC..THydrogen-bonded Turntrans-108.941.9-170.1-63.4-62.9000113.7C1571 D1577 I1578 L1579C1571-H1575 PolarHBondContact O-N 3.44Å; C1571-H1575 VanDerWaalsContact O-N 3.09Å; H1575-D1577 VanDerWaalsContact C-N 3.28Å; H1575-D1577 PolarHBondContact O-N 3.45Å; H1575-I1578 HydrophobicContact CB-CD1 4.31Å; H1575-I1578 PolarHBondContact O-N 3.37Å; H1575-L1579 WeakPolarHBondContact O-CG 3.43Å; H1575-L1579 PolarHBondContact O-N 2.89Å
1576T88.6Confident86.8Confident10 Ų1038.7 Ų38.76%0.06121%0.208CC..Hα-helixtrans-68-24.2-179.746.10000114.2I1572 C1580 F1684 H1685 M1688I1572-T1576 WeakPolarHBondContact O-CG2 3.41Å; T1576-C1580 PolarHBondContact O-N 3.28Å; T1576-C1580 PolarHBondContact O-SG 3.27Å; T1576-F1684 HydrophobicContact CG2-CD1 3.67Å; T1576-F1684 HydrophobicContact CG2-CE1 3.43Å; T1576-F1684 VanDerWaalsContact CG2-CE1 3.43Å; T1576-F1684 HydrophobicContact CG2-CZ 4.49Å; T1576-H1685 WeakPolarHBondContact CB-ND1 3.41Å; T1576-H1685 PolarHBondContact OG1-ND1 3.45Å; T1576-M1688 HydrophobicContact CG2-CG 4.17Å
1577D86.4Confident87.1Confident50 Ų5036.4 Ų36.427%0.26720%0.196SC..Hα-helixtrans-69.6-47.9174.957.8-23.2000112.1H1575 L1579 C1580 Y1581 W1619H1575-D1577 VanDerWaalsContact C-N 3.28Å; H1575-D1577 PolarHBondContact O-N 3.45Å; D1577-L1579 VanDerWaalsContact C-N 3.27Å; D1577-L1579 PolarHBondContact O-N 3.48Å; D1577-C1580 WeakPolarHBondContact O-CB 3.45Å; D1577-C1580 PolarHBondContact O-N 3.18Å; D1577-C1580 VanDerWaalsContact O-N 3.1Å; D1577-Y1581 PolarHBondContact O-N 2.9Å; D1577-W1619 HydrophobicContact CB-CH2 4.21Å; D1577-W1619 HydrophobicContact CB-CZ2 4.11Å
1578I84.5Confident87.3Confident91 Ų9136.5 Ų36.547%0.46720%0.196SC..Hα-helixtrans-60.8-38.9175.8-60175.9000110.5H1575 Y1581 F1582H1575-I1578 HydrophobicContact CB-CD1 4.31Å; H1575-I1578 PolarHBondContact O-N 3.37Å; I1578-Y1581 PolarHBondContact O-N 3.5Å; I1578-F1582 WeakPolarHBondContact O-CB 3.3Å; I1578-F1582 PolarHBondContact O-N 3Å
1579L86Confident87.3Confident56 Ų5634.1 Ų34.129%0.29318%0.182SC..Hα-helixtrans-61.7-42.6173.9-71172.5000112.1I1572 H1575 D1577 F1582 F1583I1572-L1579 HydrophobicContact CG2-CD1 4.02Å; H1575-L1579 WeakPolarHBondContact O-CG 3.43Å; H1575-L1579 PolarHBondContact O-N 2.89Å; D1577-L1579 VanDerWaalsContact C-N 3.27Å; D1577-L1579 PolarHBondContact O-N 3.48Å; L1579-F1582 PolarHBondContact O-N 3.43Å; L1579-F1583 HydrophobicContact CB-CE2 4.4Å; L1579-F1583 WeakPolarHBondContact O-CD2 3.43Å; L1579-F1583 PolarHBondContact O-N 3.04Å
1580C91Very high87.3Confident0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-62.6-42.8175.5-66.60000112T1576 D1577 F1583 A1584 W1619 L1678 S1681 L1682T1576-C1580 PolarHBondContact O-N 3.28Å; T1576-C1580 PolarHBondContact O-SG 3.27Å; D1577-C1580 WeakPolarHBondContact O-CB 3.45Å; D1577-C1580 PolarHBondContact O-N 3.18Å; D1577-C1580 VanDerWaalsContact O-N 3.1Å; C1580-F1583 PolarHBondContact O-N 3.24Å; C1580-A1584 WeakPolarHBondContact O-CB 3.24Å; C1580-A1584 PolarHBondContact O-N 3.23Å; C1580-W1619 HydrophobicContact CB-CH2 3.99Å; C1580-W1619 HydrophobicContact CB-CZ3 3.71Å; C1580-L1678 WeakPolarHBondContact O-CD1 3.15Å; C1580-S1681 PolarHBondContact SG-OG 3.46Å; C1580-L1682 HydrophobicContact CB-CD2 4.16Å
1581Y89.8Confident87Confident6 Ų632 Ų322%0.02417%0.167CC..Hα-helixtrans-65.3-41.7176.5-58.6-28.6000112.1D1577 I1578 A1584 I1585 G1607 N1608 P1614 F1618 W1619 L1907D1577-Y1581 PolarHBondContact O-N 2.9Å; I1578-Y1581 PolarHBondContact O-N 3.5Å; Y1581-A1584 PolarHBondContact O-N 3.17Å; Y1581-I1585 WeakPolarHBondContact O-CG1 3.35Å; Y1581-I1585 PolarHBondContact O-N 3.28Å; Y1581-G1607 VanDerWaalsContact OH-C 3.24Å; Y1581-G1607 VanDerWaalsContact OH-CA 3.31Å; Y1581-G1607 WeakPolarHBondContact OH-CA 3.35Å; Y1581-G1607 PolarHBondContact OH-O 3.48Å; Y1581-N1608 HydrophobicContact CE2-CB 4.42Å; Y1581-P1614 WeakPolarHBondContact OH-CG 3.44Å; Y1581-F1618 AromaticContact CE1-CE1 3.93Å; Y1581-F1618 HydrophobicContact CE1-CE1 3.93Å; Y1581-F1618 AromaticContact CE1-CZ 3.82Å; Y1581-F1618 HydrophobicContact CE1-CZ 3.82Å; Y1581-W1619 HydrophobicContact CD1-CH2 4.48Å; Y1581-W1619 AromaticContact CE1-CH2 3.81Å; Y1581-W1619 HydrophobicContact CE1-CH2 3.81Å; Y1581-W1619 HydrophobicContact CE1-CZ2 4.4Å; Y1581-W1619 HydrophobicContact CE1-CZ3 4.5Å; Y1581-L1907 HydrophobicContact CD2-CD2 4.44Å
1582F87.9Confident86.4Confident85 Ų8531.4 Ų31.437%0.37317%0.166SC..Hα-helixtrans-59.6-48.3175177.6-99.1000111.3I1578 L1579 A1584 I1585 M1586I1578-F1582 WeakPolarHBondContact O-CB 3.3Å; I1578-F1582 PolarHBondContact O-N 3Å; L1579-F1582 PolarHBondContact O-N 3.43Å; F1582-A1584 VanDerWaalsContact C-N 3.33Å; F1582-A1584 PolarHBondContact O-N 3.22Å; F1582-I1585 PolarHBondContact O-N 2.72Å; F1582-M1586 HydrophobicContact CD1-CG 4.01Å; F1582-M1586 HydrophobicContact CD2-CE 4.25Å; F1582-M1586 HydrophobicContact CE1-CG 3.57Å; F1582-M1586 HydrophobicContact CE1-SD 4.16Å; F1582-M1586 HydrophobicContact CE2-CE 3.64Å; F1582-M1586 HydrophobicContact CE2-CG 4.24Å; F1582-M1586 HydrophobicContact CE2-SD 4.15Å; F1582-M1586 HydrophobicContact CZ-CE 3.83Å; F1582-M1586 HydrophobicContact CZ-CG 3.7Å; F1582-M1586 HydrophobicContact CZ-SD 3.68Å; F1582-M1586 WeakPolarHBondContact O-CG 3.21Å; F1582-M1586 PolarHBondContact O-N 3.39Å
1583F91Very high86.1Confident45 Ų4527.6 Ų27.620%0.19715%0.147CC..Hα-helixtrans-67.5-30.1177.6-68-53.2000113.3L1579 C1580 M1586 T1587 V1677 L1678 S1681L1579-F1583 HydrophobicContact CB-CE2 4.4Å; L1579-F1583 WeakPolarHBondContact O-CD2 3.43Å; L1579-F1583 PolarHBondContact O-N 3.04Å; C1580-F1583 PolarHBondContact O-N 3.24Å; F1583-M1586 PolarHBondContact O-N 3.06Å; F1583-T1587 WeakPolarHBondContact O-CB 3.47Å; F1583-T1587 PolarHBondContact O-N 2.94Å; F1583-T1587 PolarHBondContact O-OG1 2.82Å; F1583-V1677 HydrophobicContact CD1-CG1 3.74Å; F1583-V1677 HydrophobicContact CD2-CG1 4.33Å; F1583-V1677 HydrophobicContact CE1-CG1 3.66Å; F1583-V1677 HydrophobicContact CE2-CG1 4.25Å; F1583-V1677 HydrophobicContact CG-CG1 4.09Å; F1583-V1677 HydrophobicContact CZ-CG1 3.93Å; F1583-L1678 HydrophobicContact CB-CB 4.27Å; F1583-L1678 HydrophobicContact CB-CD1 3.81Å; F1583-S1681 WeakPolarHBondContact CD2-OG 3.44Å
1584A90.8Very high86.2Confident0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-64.1-43.8171.700000112C1580 Y1581 F1582 T1587 Q1588 L1599 M1622 L1678C1580-A1584 WeakPolarHBondContact O-CB 3.24Å; C1580-A1584 PolarHBondContact O-N 3.23Å; Y1581-A1584 PolarHBondContact O-N 3.17Å; F1582-A1584 VanDerWaalsContact C-N 3.33Å; F1582-A1584 PolarHBondContact O-N 3.22Å; A1584-T1587 PolarHBondContact O-N 3.2Å; A1584-Q1588 PolarHBondContact O-N 3.41Å; A1584-L1599 HydrophobicContact CB-CB 4.26Å; A1584-M1622 HydrophobicContact CB-CE 3.8Å; A1584-L1678 HydrophobicContact CB-CD1 4.32Å; A1584-L1678 HydrophobicContact CB-CD2 4.4Å
1585I90.1Very high86.4Confident4 Ų431 Ų312%0.02116%0.159CC..Hα-helixtrans-65.1-46.2174.5-66.6161.1000110.6Y1581 F1582 T1587 Q1588 V1589 P1600 Y1899 L1907Y1581-I1585 WeakPolarHBondContact O-CG1 3.35Å; Y1581-I1585 PolarHBondContact O-N 3.28Å; F1582-I1585 PolarHBondContact O-N 2.72Å; I1585-T1587 VanDerWaalsContact C-N 3.3Å; I1585-T1587 PolarHBondContact O-N 3Å; I1585-Q1588 PolarHBondContact O-N 3.46Å; I1585-V1589 VanDerWaalsContact O-CG2 3.3Å; I1585-V1589 WeakPolarHBondContact O-CG2 3.43Å; I1585-V1589 PolarHBondContact O-N 2.88Å; I1585-P1600 HydrophobicContact CG1-CB 4.14Å; I1585-Y1899 HydrophobicContact CG2-CD1 4.4Å; I1585-Y1899 HydrophobicContact CG2-CE1 3.96Å; I1585-L1907 HydrophobicContact CD1-CD1 3.85Å; I1585-L1907 HydrophobicContact CD1-CG 4.48Å
1586M87.7Confident86.5Confident17 Ų1727.6 Ų27.68%0.08414%0.143CC..Hα-helixtrans-58.2-41.4175.5-70.1-58.4101.400112.4F1582 F1583 Q1588 V1589 M1590 W1674 V1900F1582-M1586 HydrophobicContact CD1-CG 4.01Å; F1582-M1586 HydrophobicContact CD2-CE 4.25Å; F1582-M1586 HydrophobicContact CE1-CG 3.57Å; F1582-M1586 HydrophobicContact CE1-SD 4.16Å; F1582-M1586 HydrophobicContact CE2-CE 3.64Å; F1582-M1586 HydrophobicContact CE2-CG 4.24Å; F1582-M1586 HydrophobicContact CE2-SD 4.15Å; F1582-M1586 HydrophobicContact CZ-CE 3.83Å; F1582-M1586 HydrophobicContact CZ-CG 3.7Å; F1582-M1586 HydrophobicContact CZ-SD 3.68Å; F1582-M1586 WeakPolarHBondContact O-CG 3.21Å; F1582-M1586 PolarHBondContact O-N 3.39Å; F1583-M1586 PolarHBondContact O-N 3.06Å; M1586-Q1588 VanDerWaalsContact C-N 3.33Å; M1586-Q1588 PolarHBondContact O-N 3.28Å; M1586-V1589 PolarHBondContact O-N 3.43Å; M1586-M1590 VanDerWaalsContact O-CG 3.28Å; M1586-M1590 WeakPolarHBondContact O-CG 3.31Å; M1586-M1590 PolarHBondContact O-N 2.82Å; M1586-W1674 HydrophobicContact CB-CE3 4.21Å; M1586-W1674 HydrophobicContact CB-CZ3 4.35Å; M1586-V1900 HydrophobicContact CE-CB 4.2Å; M1586-V1900 HydrophobicContact CE-CG1 3.67Å; M1586-V1900 HydrophobicContact CE-CG2 3.42Å; M1586-V1900 VanDerWaalsContact CE-CG2 3.42Å
1587T88.9Confident86.5Confident0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-59.6-45.4179-59.70000110.5F1583 A1584 I1585 T1591 T1596 L1599 D1675F1583-T1587 WeakPolarHBondContact O-CB 3.47Å; F1583-T1587 PolarHBondContact O-N 2.94Å; F1583-T1587 PolarHBondContact O-OG1 2.82Å; A1584-T1587 PolarHBondContact O-N 3.2Å; I1585-T1587 VanDerWaalsContact C-N 3.3Å; I1585-T1587 PolarHBondContact O-N 3Å; T1587-T1591 WeakPolarHBondContact O-CB 3.26Å; T1587-T1591 WeakPolarHBondContact O-CG2 3.48Å; T1587-T1591 PolarHBondContact O-N 3.39Å; T1587-T1591 VanDerWaalsContact O-N 3.14Å; T1587-T1591 PolarHBondContact O-OG1 2.87Å; T1587-T1596 HydrophobicContact CG2-CG2 4.05Å; T1587-L1599 HydrophobicContact CG2-CD1 4.22Å; T1587-D1675 WeakPolarHBondContact CG2-OD1 3.32Å
1588Q89.3Confident86.7Confident1 Ų128.7 Ų28.71%0.00515%0.151CC..Hα-helixtrans-63.6-41.5174.8-179.360.916.100112.7A1584 I1585 M1586 M1590 G1592 G1593 T1596 P1600 F1878A1584-Q1588 PolarHBondContact O-N 3.41Å; I1585-Q1588 PolarHBondContact O-N 3.46Å; M1586-Q1588 VanDerWaalsContact C-N 3.33Å; M1586-Q1588 PolarHBondContact O-N 3.28Å; Q1588-M1590 VanDerWaalsContact C-N 3.34Å; Q1588-M1590 PolarHBondContact O-N 2.95Å; Q1588-G1592 WeakPolarHBondContact O-CA 3.36Å; Q1588-G1592 PolarHBondContact O-N 2.93Å; Q1588-G1593 PolarHBondContact NE2-O 3.26Å; Q1588-G1593 PolarHBondContact OE1-O 3.42Å; Q1588-G1593 VanDerWaalsContact OE1-O 3.14Å; Q1588-T1596 PolarHBondContact OE1-O 3.26Å; Q1588-T1596 PolarHBondContact OE1-OG1 3.38Å; Q1588-P1600 HydrophobicContact CB-CG 3.81Å; Q1588-P1600 HydrophobicContact CG-CG 3.99Å; Q1588-F1878 HydrophobicContact CG-CE1 4.31Å; Q1588-F1878 HydrophobicContact CG-CE2 4.09Å; Q1588-F1878 HydrophobicContact CG-CZ 3.62Å
1589V86.3Confident86.9Confident7 Ų724.4 Ų24.44%0.04213%0.129CC..Hα-helixtrans-61.8-41.1-179.4169.80000112.3I1585 M1586 Q1896 Y1899 V1900I1585-V1589 VanDerWaalsContact O-CG2 3.3Å; I1585-V1589 WeakPolarHBondContact O-CG2 3.43Å; I1585-V1589 PolarHBondContact O-N 2.88Å; M1586-V1589 PolarHBondContact O-N 3.43Å; V1589-Q1896 HydrophobicContact CG1-CB 3.78Å; V1589-Q1896 HydrophobicContact CG1-CG 3.82Å; V1589-Y1899 HydrophobicContact CG2-CD1 3.35Å; V1589-Y1899 HydrophobicContact CG2-CE1 3.73Å; V1589-Y1899 HydrophobicContact CG2-CG 4.4Å; V1589-V1900 HydrophobicContact CG1-CG2 4.34Å; V1589-V1900 HydrophobicContact CG2-CG2 3.72Å
1590M84.2Confident87Confident65 Ų6521.7 Ų21.732%0.3212%0.115SC..Hα-helixtrans-84.9-26.6-173.4-62.8-68.516600113.3M1586 Q1588 R1668 W1674M1586-M1590 VanDerWaalsContact O-CG 3.28Å; M1586-M1590 WeakPolarHBondContact O-CG 3.31Å; M1586-M1590 PolarHBondContact O-N 2.82Å; Q1588-M1590 VanDerWaalsContact C-N 3.34Å; Q1588-M1590 PolarHBondContact O-N 2.95Å; M1590-R1668 PolarHBondContact O-NH1 3.28Å; M1590-W1674 HydrophobicContact CB-CG 4.24Å; M1590-W1674 HydrophobicContact CE-CZ2 4.47Å; M1590-W1674 HydrophobicContact CG-CD2 4.27Å; M1590-W1674 HydrophobicContact CG-CG 4.27Å; M1590-W1674 HydrophobicContact CG-CZ2 4.36Å
1591T79.7Confident86.8Confident15 Ų1523.9 Ų23.99%0.09213%0.126CC..Hα-helixtrans-101.5-27.4-17861.10000113.2T1587 G1593 T1596 I1890T1587-T1591 WeakPolarHBondContact O-CB 3.26Å; T1587-T1591 WeakPolarHBondContact O-CG2 3.48Å; T1587-T1591 PolarHBondContact O-N 3.39Å; T1587-T1591 VanDerWaalsContact O-N 3.14Å; T1587-T1591 PolarHBondContact O-OG1 2.87Å; T1591-G1593 PolarHBondContact O-N 2.91Å; T1591-G1593 VanDerWaalsContact O-N 3.07Å; T1591-T1596 WeakPolarHBondContact OG1-CG2 3.44Å; T1591-T1596 PolarHBondContact OG1-OG1 3.19Å; T1591-I1890 WeakPolarHBondContact O-CD1 3.32Å
1592G75.1Confident86.8Confident16 Ų1625.3 Ų25.317%0.16513%0.133CC..  trans65.13.9173.300000116.6Q1588Q1588-G1592 WeakPolarHBondContact O-CA 3.36Å; Q1588-G1592 PolarHBondContact O-N 2.93Å
1593G79.4Confident86.8Confident2 Ų221.2 Ų21.22%0.02112%0.115CC..  trans-89.5160.4-167.800000115.3Q1588 T1591 I1595 T1596 L1597Q1588-G1593 PolarHBondContact NE2-O 3.26Å; Q1588-G1593 PolarHBondContact OE1-O 3.42Å; Q1588-G1593 VanDerWaalsContact OE1-O 3.14Å; T1591-G1593 PolarHBondContact O-N 2.91Å; T1591-G1593 VanDerWaalsContact O-N 3.07Å; G1593-I1595 VanDerWaalsContact C-N 3.31Å; G1593-T1596 PolarHBondContact O-OG1 3Å; G1593-T1596 VanDerWaalsContact O-OG1 3.08Å; G1593-L1597 PolarHBondContact O-N 3.2Å
1594L85.1Confident86.7Confident71 Ų7119.1 Ų19.137%0.37211%0.106SC..THydrogen-bonded Turntrans-65.7-30.6167.9-74.3175.8000112.8T1596 L1597 P1598 L1662 F1663L1594-T1596 VanDerWaalsContact C-N 3.31Å; L1594-T1596 PolarHBondContact O-N 3.4Å; L1594-L1597 HydrophobicContact CD2-CD2 4.11Å; L1594-L1597 WeakPolarHBondContact O-CB 3.49Å; L1594-L1597 PolarHBondContact O-N 2.9Å; L1594-P1598 WeakPolarHBondContact O-CD 3.4Å; L1594-L1662 HydrophobicContact CD1-CD1 4.07Å; L1594-L1662 HydrophobicContact CD1-CD2 4.16Å; L1594-L1662 HydrophobicContact CD1-CG 3.74Å; L1594-L1662 HydrophobicContact CG-CD1 4.33Å; L1594-L1662 HydrophobicContact CG-CG 4.31Å; L1594-L1662 WeakPolarHBondContact CG-O 3.46Å; L1594-L1662 PolarHBondContact N-O 2.91Å; L1594-F1663 HydrophobicContact CB-CD1 4.13Å; L1594-F1663 HydrophobicContact CD1-CE1 4.39Å
1595I87.6Confident86.4Confident37 Ų3722.8 Ų22.819%0.1912%0.122CC..THydrogen-bonded Turntrans-67.9-33.1-179.6-64.8-177.3000111.5G1593 P1598 Y1625 V1629 F1663 V1665G1593-I1595 VanDerWaalsContact C-N 3.31Å; I1595-P1598 WeakPolarHBondContact O-CD 3.4Å; I1595-Y1625 WeakPolarHBondContact O-CE1 3.49Å; I1595-Y1625 PolarHBondContact O-OH 3.39Å; I1595-V1629 HydrophobicContact CG2-CG1 4.35Å; I1595-V1629 HydrophobicContact CG2-CG2 3.8Å; I1595-F1663 HydrophobicContact CD1-CB 4.11Å; I1595-F1663 HydrophobicContact CD1-CD1 4.39Å; I1595-F1663 HydrophobicContact CG1-CB 4.19Å; I1595-F1663 HydrophobicContact CG1-CD1 3.96Å; I1595-F1663 WeakPolarHBondContact CG1-O 3.14Å; I1595-F1663 PolarHBondContact N-O 2.95Å; I1595-V1665 HydrophobicContact CD1-CG2 3.5Å; I1595-V1665 VanDerWaalsContact CD1-CG2 3.5Å
1596T88.2Confident86.2Confident2 Ų226.9 Ų26.91%0.01214%0.138CC..THydrogen-bonded Turntrans-86.6-18178.343.30000113.1T1587 Q1588 T1591 G1593 L1594 P1598 L1599 P1600 V1629T1587-T1596 HydrophobicContact CG2-CG2 4.05Å; Q1588-T1596 PolarHBondContact OE1-O 3.26Å; Q1588-T1596 PolarHBondContact OE1-OG1 3.38Å; T1591-T1596 WeakPolarHBondContact OG1-CG2 3.44Å; T1591-T1596 PolarHBondContact OG1-OG1 3.19Å; G1593-T1596 PolarHBondContact O-OG1 3Å; G1593-T1596 VanDerWaalsContact O-OG1 3.08Å; L1594-T1596 VanDerWaalsContact C-N 3.31Å; L1594-T1596 PolarHBondContact O-N 3.4Å; T1596-P1598 VanDerWaalsContact C-CD 3.42Å; T1596-P1598 VanDerWaalsContact C-N 3.35Å; T1596-L1599 WeakPolarHBondContact O-CB 3.4Å; T1596-L1599 PolarHBondContact O-N 3.17Å; T1596-P1600 VanDerWaalsContact O-CD 3.3Å; T1596-P1600 WeakPolarHBondContact O-CD 3.27Å; T1596-V1629 HydrophobicContact CG2-CG1 4.49Å
1597L87.4Confident86Confident37 Ų3726.1 Ų26.119%0.19413%0.134CC..THydrogen-bonded Turntrans-53.9-36.6-177.8-17079.8000114.5G1593 L1594 L1599 P1600 L1601 F1878G1593-L1597 PolarHBondContact O-N 3.2Å; L1594-L1597 HydrophobicContact CD2-CD2 4.11Å; L1594-L1597 WeakPolarHBondContact O-CB 3.49Å; L1594-L1597 PolarHBondContact O-N 2.9Å; L1597-L1599 PolarHBondContact O-N 3.27Å; L1597-P1600 VanDerWaalsContact O-CD 3.24Å; L1597-P1600 WeakPolarHBondContact O-CD 3.4Å; L1597-P1600 WeakPolarHBondContact O-CG 3.46Å; L1597-L1601 HydrophobicContact CD2-CD1 4.11Å; L1597-L1601 HydrophobicContact CG-CD1 3.91Å; L1597-L1601 HydrophobicContact CG-CG 4.43Å; L1597-L1601 WeakPolarHBondContact O-CG 3.42Å; L1597-L1601 PolarHBondContact O-N 3.41Å; L1597-F1878 HydrophobicContact CD1-CD2 4.22Å; L1597-F1878 HydrophobicContact CD1-CE2 4.33Å
1598P90.1Very high85.7Confident45 Ų4527 Ų2729%0.29214%0.139SC..Hα-helixtrans-61.1-27.1176-28.139000114.2L1594 I1595 T1596 L1601 M1602 Y1625L1594-P1598 WeakPolarHBondContact O-CD 3.4Å; I1595-P1598 WeakPolarHBondContact O-CD 3.4Å; T1596-P1598 VanDerWaalsContact C-CD 3.42Å; T1596-P1598 VanDerWaalsContact C-N 3.35Å; P1598-L1601 PolarHBondContact O-N 3.21Å; P1598-M1602 VanDerWaalsContact O-CB 3.28Å; P1598-M1602 WeakPolarHBondContact O-CB 3.48Å; P1598-M1602 WeakPolarHBondContact O-CG 3.3Å; P1598-M1602 PolarHBondContact O-N 2.9Å; P1598-Y1625 HydrophobicContact CB-CE1 4.39Å
1599L89.6Confident85.4Confident1 Ų127.5 Ų27.51%0.00514%0.141CC..Hα-helixtrans-61.6-57.7-178.2-66.5169.1000112.9A1584 T1587 T1596 L1597 M1602 S1603 Y1625 T1626 L1678A1584-L1599 HydrophobicContact CB-CB 4.26Å; T1587-L1599 HydrophobicContact CG2-CD1 4.22Å; T1596-L1599 WeakPolarHBondContact O-CB 3.4Å; T1596-L1599 PolarHBondContact O-N 3.17Å; L1597-L1599 PolarHBondContact O-N 3.27Å; L1599-M1602 PolarHBondContact O-N 2.82Å; L1599-S1603 PolarHBondContact O-N 2.89Å; L1599-Y1625 HydrophobicContact CD2-CD1 3.81Å; L1599-Y1625 HydrophobicContact CD2-CE1 4.42Å; L1599-Y1625 HydrophobicContact CG-CD1 4.14Å; L1599-Y1625 HydrophobicContact CG-CE1 4.25Å; L1599-T1626 HydrophobicContact CD1-CG2 4.46Å; L1599-T1626 HydrophobicContact CD2-CG2 3.91Å; L1599-L1678 HydrophobicContact CD1-CD2 3.96Å; L1599-L1678 HydrophobicContact CD2-CD2 4.41Å
1600P87.3Confident85Confident0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-65.4-38.1175.126.3-35.4000112I1585 Q1588 T1596 L1597 M1602 S1603 L1604I1585-P1600 HydrophobicContact CG1-CB 4.14Å; Q1588-P1600 HydrophobicContact CB-CG 3.81Å; Q1588-P1600 HydrophobicContact CG-CG 3.99Å; T1596-P1600 VanDerWaalsContact O-CD 3.3Å; T1596-P1600 WeakPolarHBondContact O-CD 3.27Å; L1597-P1600 VanDerWaalsContact O-CD 3.24Å; L1597-P1600 WeakPolarHBondContact O-CD 3.4Å; L1597-P1600 WeakPolarHBondContact O-CG 3.46Å; P1600-M1602 VanDerWaalsContact C-N 3.35Å; P1600-M1602 PolarHBondContact O-N 3.23Å; P1600-S1603 WeakPolarHBondContact CA-OG 3.15Å; P1600-S1603 PolarHBondContact O-N 3.02Å; P1600-S1603 VanDerWaalsContact O-N 3.08Å; P1600-S1603 PolarHBondContact O-OG 3.31Å; P1600-L1604 WeakPolarHBondContact O-CB 3.19Å; P1600-L1604 WeakPolarHBondContact O-CG 3.39Å; P1600-L1604 PolarHBondContact O-N 2.77Å
1601L88Confident84.3Confident46 Ų4627 Ų2724%0.24114%0.141CC..Hα-helixtrans-61-41.9178.6-66.4179.5000112.2L1597 P1598 L1604 F1605 I1870L1597-L1601 HydrophobicContact CD2-CD1 4.11Å; L1597-L1601 HydrophobicContact CG-CD1 3.91Å; L1597-L1601 HydrophobicContact CG-CG 4.43Å; L1597-L1601 WeakPolarHBondContact O-CG 3.42Å; L1597-L1601 PolarHBondContact O-N 3.41Å; P1598-L1601 PolarHBondContact O-N 3.21Å; L1601-L1604 PolarHBondContact O-N 2.99Å; L1601-F1605 HydrophobicContact CB-CD2 4.38Å; L1601-F1605 HydrophobicContact CD2-CD2 4.44Å; L1601-F1605 HydrophobicContact CD2-CE2 3.94Å; L1601-F1605 WeakPolarHBondContact O-CB 3.41Å; L1601-F1605 PolarHBondContact O-N 2.95Å; L1601-I1870 HydrophobicContact CD2-CG2 4.13Å
1602M89.1Confident83.7Confident35 Ų3529.6 Ų29.617%0.17216%0.158CC..Hα-helixtrans-61.5-41.7172.2-76.4176.264.600111.9P1598 L1599 P1600 W1606 G1607 F1618 T1621P1598-M1602 VanDerWaalsContact O-CB 3.28Å; P1598-M1602 WeakPolarHBondContact O-CB 3.48Å; P1598-M1602 WeakPolarHBondContact O-CG 3.3Å; P1598-M1602 PolarHBondContact O-N 2.9Å; L1599-M1602 PolarHBondContact O-N 2.82Å; P1600-M1602 VanDerWaalsContact C-N 3.35Å; P1600-M1602 PolarHBondContact O-N 3.23Å; M1602-W1606 WeakPolarHBondContact O-CA 3.49Å; M1602-W1606 VanDerWaalsContact O-CB 3.31Å; M1602-W1606 WeakPolarHBondContact O-CB 3.5Å; M1602-W1606 PolarHBondContact O-N 2.9Å; M1602-G1607 PolarHBondContact O-N 3.37Å; M1602-F1618 HydrophobicContact CB-CE2 4.16Å; M1602-F1618 HydrophobicContact CE-CD2 4.4Å; M1602-F1618 HydrophobicContact CE-CE2 4.41Å; M1602-T1621 HydrophobicContact CE-CG2 3.95Å
1603S88.7Confident83.5Confident0 Ų032.3 Ų32.30%016%0.163CC..Iπ-helixtrans-65.4-39.1176.972.30000113.6L1599 P1600 G1607 N1608L1599-S1603 PolarHBondContact O-N 2.89Å; P1600-S1603 WeakPolarHBondContact CA-OG 3.15Å; P1600-S1603 PolarHBondContact O-N 3.02Å; P1600-S1603 VanDerWaalsContact O-N 3.08Å; P1600-S1603 PolarHBondContact O-OG 3.31Å; S1603-G1607 PolarHBondContact O-N 2.84Å; S1603-N1608 PolarHBondContact O-N 3.19Å
1604L87.5Confident83.4Confident0 Ų033 Ų330%017%0.167CC..Iπ-helixtrans-81.1-39.2-174.6-69.1175.7000112.9P1600 L1601 I1870 F1906 L1907P1600-L1604 WeakPolarHBondContact O-CB 3.19Å; P1600-L1604 WeakPolarHBondContact O-CG 3.39Å; P1600-L1604 PolarHBondContact O-N 2.77Å; L1601-L1604 PolarHBondContact O-N 2.99Å; L1604-I1870 HydrophobicContact CB-CD1 4.21Å; L1604-I1870 HydrophobicContact CD1-CD1 4.4Å; L1604-I1870 HydrophobicContact CD1-CG2 4.45Å; L1604-F1906 HydrophobicContact CD2-CB 3.87Å; L1604-L1907 HydrophobicContact CD2-CD2 3.91Å; L1604-L1907 HydrophobicContact CD2-CG 4.06Å
1605F85Confident83.1Confident78 Ų7831.7 Ų31.734%0.34216%0.164SC..Iπ-helixtrans-93.4-29.8-179-66.4-46.5000114.4L1601 V1867 I1870L1601-F1605 HydrophobicContact CB-CD2 4.38Å; L1601-F1605 HydrophobicContact CD2-CD2 4.44Å; L1601-F1605 HydrophobicContact CD2-CE2 3.94Å; L1601-F1605 WeakPolarHBondContact O-CB 3.41Å; L1601-F1605 PolarHBondContact O-N 2.95Å; F1605-V1867 HydrophobicContact CE1-CG2 4.15Å; F1605-I1870 HydrophobicContact CD1-CD1 4.37Å; F1605-I1870 HydrophobicContact CE1-CB 4.27Å; F1605-I1870 HydrophobicContact CE1-CD1 3.82Å; F1605-I1870 HydrophobicContact CE1-CG2 4.07Å; F1605-I1870 HydrophobicContact CE2-CG2 4.13Å; F1605-I1870 HydrophobicContact CZ-CB 4.08Å; F1605-I1870 HydrophobicContact CZ-CD1 4.4Å; F1605-I1870 HydrophobicContact CZ-CG2 3.53Å
1606W86.2Confident82.9Confident90 Ų9034.8 Ų34.834%0.34118%0.176SC..Iπ-helixtrans-111.8-55.1-177.1-168.10.8000112.3M1602 S1610 F1617 F1618M1602-W1606 WeakPolarHBondContact O-CA 3.49Å; M1602-W1606 VanDerWaalsContact O-CB 3.31Å; M1602-W1606 WeakPolarHBondContact O-CB 3.5Å; M1602-W1606 PolarHBondContact O-N 2.9Å; W1606-S1610 WeakPolarHBondContact O-CB 3.45Å; W1606-S1610 PolarHBondContact O-N 3.27Å; W1606-F1617 AromaticContact CH2-CD1 3.51Å; W1606-F1617 HydrophobicContact CH2-CD1 3.51Å; W1606-F1617 AromaticContact CH2-CE1 3.69Å; W1606-F1617 HydrophobicContact CH2-CE1 3.69Å; W1606-F1617 HydrophobicContact CZ2-CD1 4.09Å; W1606-F1617 HydrophobicContact CZ3-CD1 4.38Å; W1606-F1617 HydrophobicContact CZ3-CE1 4.34Å; W1606-F1618 HydrophobicContact CB-CD2 4.24Å; W1606-F1618 HydrophobicContact CB-CE2 4.35Å; W1606-F1618 AromaticContact CD2-CD2 3.88Å; W1606-F1618 HydrophobicContact CD2-CD2 3.88Å; W1606-F1618 HydrophobicContact CE3-CD2 4.03Å; W1606-F1618 AromaticContact CG-CD2 3.97Å; W1606-F1618 HydrophobicContact CG-CD2 3.97Å
1607G83.6Confident82.8Confident1 Ų141 Ų411%0.0120%0.203CC..Iπ-helixtrans-55.2-63.6-173.700000112.5Y1581 M1602 S1603 S1610Y1581-G1607 VanDerWaalsContact OH-C 3.24Å; Y1581-G1607 VanDerWaalsContact OH-CA 3.31Å; Y1581-G1607 WeakPolarHBondContact OH-CA 3.35Å; Y1581-G1607 PolarHBondContact OH-O 3.48Å; M1602-G1607 PolarHBondContact O-N 3.37Å; S1603-G1607 PolarHBondContact O-N 2.84Å; G1607-S1610 PolarHBondContact O-N 3.07Å; G1607-S1610 PolarHBondContact O-OG 3.48Å
1608N83.1Confident82.9Confident19 Ų1939.3 Ų39.310%0.10219%0.194CC..THydrogen-bonded Turntrans-79.3-23.8-171.2-160.123000114.8Y1581 S1603 S1610 L1907 A1910 R1914Y1581-N1608 HydrophobicContact CE2-CB 4.42Å; S1603-N1608 PolarHBondContact O-N 3.19Å; N1608-S1610 VanDerWaalsContact C-N 3.34Å; N1608-L1907 HydrophobicContact CB-CD2 4.2Å; N1608-L1907 PolarHBondContact ND2-O 3.29Å; N1608-A1910 HydrophobicContact CB-CB 4.16Å; N1608-A1910 WeakPolarHBondContact ND2-CB 3.28Å; N1608-R1914 PolarHBondContact O-NH1 3.33Å; N1608-R1914 PolarHBondContact OD1-NH1 3.45Å
1609L82.4Confident82.9Confident10 Ų1037.5 Ų37.55%0.05218%0.181CC..THydrogen-bonded Turntrans-78.3-15.9175.3-72.7176.3000113.1F1778 L1782 L1863 A1910 I1913L1609-F1778 HydrophobicContact CB-CE1 4.43Å; L1609-F1778 HydrophobicContact CB-CZ 3.94Å; L1609-L1782 HydrophobicContact CD2-CD1 4.41Å; L1609-L1782 HydrophobicContact CD2-CD2 4.46Å; L1609-L1782 WeakPolarHBondContact O-CD1 3.24Å; L1609-L1863 HydrophobicContact CD1-CD1 4.35Å; L1609-A1910 HydrophobicContact CD2-CB 3.91Å; L1609-A1910 HydrophobicContact CG-CB 4.25Å; L1609-I1913 HydrophobicContact CD2-CB 4.3Å; L1609-I1913 HydrophobicContact CD2-CG2 4.08Å
1610S78.6Confident82.9Confident11 Ų1139.3 Ų39.38%0.07719%0.193CC..SBendtrans-69.2136.7175.767.50000112.8W1606 G1607 N1608 P1614 R1914W1606-S1610 WeakPolarHBondContact O-CB 3.45Å; W1606-S1610 PolarHBondContact O-N 3.27Å; G1607-S1610 PolarHBondContact O-N 3.07Å; G1607-S1610 PolarHBondContact O-OG 3.48Å; N1608-S1610 VanDerWaalsContact C-N 3.34Å; S1610-P1614 WeakPolarHBondContact OG-CA 3.43Å; S1610-P1614 VanDerWaalsContact OG-N 3.14Å; S1610-R1914 WeakPolarHBondContact O-CD 3.39Å
1611N69.4Low83.1Confident51 Ų5141.5 Ų41.527%0.27321%0.206SC..SBendtrans-123.8130.7178.8-172.3-17.7000109.4P1785 F1787 R1914N1611-P1785 HydrophobicContact CB-CB 4.46Å; N1611-P1785 WeakPolarHBondContact ND2-CB 3.06Å; N1611-F1787 PolarHBondContact ND2-O 2.86Å; N1611-R1914 HydrophobicContact CB-CG 4.01Å
1612P66.7Low83.2Confident70 Ų7039.4 Ų39.446%0.45520%0.195SC..SBendcis-86.2-10.7-1.834.3-36000114.6
1613R70.8Confident83.3Confident73 Ų7337.8 Ų37.828%0.27519%0.187SC..SBendtrans-154.6157.5-178.569-173.9-169.1-171.49.4111.4L1694 K1696 D1697R1613-L1694 VanDerWaalsContact NH1-CD2 3.35Å; R1613-L1694 PolarHBondContact NH2-O 2.72Å; R1613-K1696 PolarHBondContact NH2-O 2.75Å; R1613-D1697 IonicContact CZ-OD1 3.65Å; R1613-D1697 IonicContact NH2-OD1 2.69Å; R1613-D1697 PolarHBondContact NH2-OD1 3.37Å
1614P77.5Confident83.4Confident16 Ų1640.5 Ų40.510%0.10420%0.204CC..  trans-64.1146.8172.2-15.327.4000111.6Y1581 S1610 F1618 W1619Y1581-P1614 WeakPolarHBondContact OH-CG 3.44Å; S1610-P1614 WeakPolarHBondContact OG-CA 3.43Å; S1610-P1614 VanDerWaalsContact OG-N 3.14Å; P1614-F1618 HydrophobicContact CB-CB 4.25Å; P1614-F1618 HydrophobicContact CB-CD1 3.53Å; P1614-F1618 HydrophobicContact CB-CE1 4.16Å; P1614-F1618 HydrophobicContact CB-CG 4.02Å; P1614-F1618 HydrophobicContact CG-CD1 4.34Å; P1614-W1619 HydrophobicContact CB-CZ2 4.4Å; P1614-W1619 HydrophobicContact CG-CZ2 3.97Å
1615S78.3Confident83.6Confident44 Ų4443.9 Ų43.931%0.30822%0.217SC..  trans-68.5158.5179.870.10000112F1617 F1618 W1619S1615-F1617 PolarHBondContact O-N 3Å; S1615-F1617 PolarHBondContact OG-N 3.33Å; S1615-F1618 WeakPolarHBondContact O-CB 3.38Å; S1615-F1618 PolarHBondContact O-N 2.89Å; S1615-F1618 PolarHBondContact OG-N 2.81Å; S1615-W1619 PolarHBondContact O-N 3.48Å
1616K83.7Confident83.9Confident101 Ų10140.2 Ų40.244%0.43920%0.201SC..Hα-helixtrans-53.2-37168.5176.5-165.5161.5-151.70111.6W1619 V1620 W1695K1616-W1619 PolarHBondContact O-N 3.03Å; K1616-V1620 HydrophobicContact CG-CG2 4.25Å; K1616-V1620 WeakPolarHBondContact O-CG2 3.28Å; K1616-V1620 PolarHBondContact O-N 3Å; K1616-W1695 HydrophobicContact CG-CZ2 4.2Å
1617F86.3Confident84.1Confident134 Ų13437.4 Ų37.459%0.58819%0.191SC*.Hα-helixtrans-62.3-44.7-179.8-176-92.9000111.7W1606 S1615 W1619 V1620 T1621W1606-F1617 AromaticContact CH2-CD1 3.51Å; W1606-F1617 HydrophobicContact CH2-CD1 3.51Å; W1606-F1617 AromaticContact CH2-CE1 3.69Å; W1606-F1617 HydrophobicContact CH2-CE1 3.69Å; W1606-F1617 HydrophobicContact CZ2-CD1 4.09Å; W1606-F1617 HydrophobicContact CZ3-CD1 4.38Å; W1606-F1617 HydrophobicContact CZ3-CE1 4.34Å; S1615-F1617 PolarHBondContact O-N 3Å; S1615-F1617 PolarHBondContact OG-N 3.33Å; F1617-W1619 PolarHBondContact O-N 3.38Å; F1617-V1620 PolarHBondContact O-N 2.69Å; F1617-T1621 WeakPolarHBondContact CE1-OG1 3.48Å; F1617-T1621 WeakPolarHBondContact O-CB 3.36Å; F1617-T1621 PolarHBondContact O-N 2.82Å; F1617-T1621 PolarHBondContact O-OG1 2.9Å
1618F88.5Confident84.3Confident0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-52.7-51.5175.1169.7-94.4000111.9Y1581 M1602 W1606 P1614 S1615 T1621 M1622Y1581-F1618 AromaticContact CE1-CE1 3.93Å; Y1581-F1618 HydrophobicContact CE1-CE1 3.93Å; Y1581-F1618 AromaticContact CE1-CZ 3.82Å; Y1581-F1618 HydrophobicContact CE1-CZ 3.82Å; M1602-F1618 HydrophobicContact CB-CE2 4.16Å; M1602-F1618 HydrophobicContact CE-CD2 4.4Å; M1602-F1618 HydrophobicContact CE-CE2 4.41Å; W1606-F1618 HydrophobicContact CB-CD2 4.24Å; W1606-F1618 HydrophobicContact CB-CE2 4.35Å; W1606-F1618 AromaticContact CD2-CD2 3.88Å; W1606-F1618 HydrophobicContact CD2-CD2 3.88Å; W1606-F1618 HydrophobicContact CE3-CD2 4.03Å; W1606-F1618 AromaticContact CG-CD2 3.97Å; W1606-F1618 HydrophobicContact CG-CD2 3.97Å; P1614-F1618 HydrophobicContact CB-CB 4.25Å; P1614-F1618 HydrophobicContact CB-CD1 3.53Å; P1614-F1618 HydrophobicContact CB-CE1 4.16Å; P1614-F1618 HydrophobicContact CB-CG 4.02Å; P1614-F1618 HydrophobicContact CG-CD1 4.34Å; S1615-F1618 WeakPolarHBondContact O-CB 3.38Å; S1615-F1618 PolarHBondContact O-N 2.89Å; S1615-F1618 PolarHBondContact OG-N 2.81Å; F1618-T1621 PolarHBondContact O-N 2.83Å; F1618-M1622 HydrophobicContact CE1-SD 4Å; F1618-M1622 HydrophobicContact CZ-SD 3.88Å; F1618-M1622 WeakPolarHBondContact O-CB 3.44Å; F1618-M1622 PolarHBondContact O-N 2.93Å
1619W91Very high84.6Confident7 Ų739.5 Ų39.53%0.02721%0.207CC..Hα-helixtrans-68.6-35-178.7-66.2113.9000114D1577 C1580 Y1581 P1614 S1615 K1616 F1617 M1622 I1623 L1682 H1685 W1695D1577-W1619 HydrophobicContact CB-CH2 4.21Å; D1577-W1619 HydrophobicContact CB-CZ2 4.11Å; C1580-W1619 HydrophobicContact CB-CH2 3.99Å; C1580-W1619 HydrophobicContact CB-CZ3 3.71Å; Y1581-W1619 HydrophobicContact CD1-CH2 4.48Å; Y1581-W1619 AromaticContact CE1-CH2 3.81Å; Y1581-W1619 HydrophobicContact CE1-CH2 3.81Å; Y1581-W1619 HydrophobicContact CE1-CZ2 4.4Å; Y1581-W1619 HydrophobicContact CE1-CZ3 4.5Å; P1614-W1619 HydrophobicContact CB-CZ2 4.4Å; P1614-W1619 HydrophobicContact CG-CZ2 3.97Å; S1615-W1619 PolarHBondContact O-N 3.48Å; K1616-W1619 PolarHBondContact O-N 3.03Å; F1617-W1619 PolarHBondContact O-N 3.38Å; W1619-M1622 HydrophobicContact CE3-SD 4.12Å; W1619-M1622 HydrophobicContact CZ3-SD 3.91Å; W1619-I1623 WeakPolarHBondContact O-CG1 3.42Å; W1619-I1623 PolarHBondContact O-N 3.22Å; W1619-L1682 HydrophobicContact CE3-CD2 3.68Å; W1619-L1682 HydrophobicContact CZ3-CD2 3.72Å; W1619-H1685 AromaticContact CD2-CD2 3.6Å; W1619-H1685 AromaticContact CD2-NE2 3.75Å; W1619-H1685 AromaticContact CE2-CD2 3.54Å; W1619-H1685 AromaticContact CE2-NE2 3.17Å; W1619-H1685 AromaticContact CE3-CD2 3.73Å; W1619-H1685 AromaticContact CH2-CD2 3.78Å; W1619-H1685 AromaticContact CH2-NE2 3.73Å; W1619-H1685 AromaticContact CZ2-CD2 3.65Å; W1619-H1685 AromaticContact CZ2-NE2 3.17Å; W1619-H1685 WeakPolarHBondContact CZ2-NE2 3.47Å; W1619-H1685 AromaticContact CZ3-CD2 3.82Å; W1619-H1685 AromaticContact NE1-NE2 3.53Å; W1619-W1695 HydrophobicContact CB-CH2 4.17Å; W1619-W1695 HydrophobicContact CB-CZ3 3.97Å
1620V89.6Confident84.9Confident40 Ų4039.6 Ų39.624%0.24221%0.207CC..Hα-helixtrans-66.8-48.2174.9171.30000110.4K1616 F1617 M1622 I1623 T1624 W1695K1616-V1620 HydrophobicContact CG-CG2 4.25Å; K1616-V1620 WeakPolarHBondContact O-CG2 3.28Å; K1616-V1620 PolarHBondContact O-N 3Å; F1617-V1620 PolarHBondContact O-N 2.69Å; V1620-M1622 VanDerWaalsContact C-N 3.29Å; V1620-M1622 PolarHBondContact O-N 3.02Å; V1620-I1623 PolarHBondContact O-N 2.76Å; V1620-T1624 PolarHBondContact O-N 2.84Å; V1620-T1624 PolarHBondContact O-OG1 3.05Å; V1620-W1695 HydrophobicContact CG2-CH2 3.88Å; V1620-W1695 HydrophobicContact CG2-CZ2 3.68Å
1621T90.7Very high85.2Confident45 Ų4541.9 Ų41.928%0.27622%0.221SC..Hα-helixtrans-60.2-40.1176.9-57.90000111.3M1602 F1617 F1618 Y1625M1602-T1621 HydrophobicContact CE-CG2 3.95Å; F1617-T1621 WeakPolarHBondContact CE1-OG1 3.48Å; F1617-T1621 WeakPolarHBondContact O-CB 3.36Å; F1617-T1621 PolarHBondContact O-N 2.82Å; F1617-T1621 PolarHBondContact O-OG1 2.9Å; F1618-T1621 PolarHBondContact O-N 2.83Å; T1621-Y1625 WeakPolarHBondContact O-CB 3.31Å; T1621-Y1625 PolarHBondContact O-N 3.45Å
1622M90.8Very high86.1Confident2 Ų243.4 Ų43.41%0.0123%0.228CC..Hα-helixtrans-64-44.9176.6-167.4170.7175.100112.4A1584 F1618 W1619 V1620 T1626 L1678 L1682A1584-M1622 HydrophobicContact CB-CE 3.8Å; F1618-M1622 HydrophobicContact CE1-SD 4Å; F1618-M1622 HydrophobicContact CZ-SD 3.88Å; F1618-M1622 WeakPolarHBondContact O-CB 3.44Å; F1618-M1622 PolarHBondContact O-N 2.93Å; W1619-M1622 HydrophobicContact CE3-SD 4.12Å; W1619-M1622 HydrophobicContact CZ3-SD 3.91Å; V1620-M1622 VanDerWaalsContact C-N 3.29Å; V1620-M1622 PolarHBondContact O-N 3.02Å; M1622-T1626 WeakPolarHBondContact O-CG2 3.48Å; M1622-T1626 PolarHBondContact O-N 2.91Å; M1622-T1626 PolarHBondContact O-OG1 2.82Å; M1622-L1678 HydrophobicContact CE-CD1 4.03Å; M1622-L1682 HydrophobicContact CB-CD2 4.43Å; M1622-L1682 HydrophobicContact CE-CD1 4.44Å; M1622-L1682 HydrophobicContact CE-CD2 3.95Å; M1622-L1682 HydrophobicContact CG-CD1 3.97Å; M1622-L1682 HydrophobicContact CG-CD2 3.9Å; M1622-L1682 HydrophobicContact SD-CD2 3.72Å
1623I90.8Very high87Confident1 Ų140.5 Ų40.51%0.00521%0.208CC..Hα-helixtrans-61.2-54.9174.5-70.3164.4000110.7W1164 W1619 V1620 Y1625 T1626 E1627 L1682 F1683 R1686W1164-I1623 HydrophobicContact CZ3-CG2 4.09Å; W1619-I1623 WeakPolarHBondContact O-CG1 3.42Å; W1619-I1623 PolarHBondContact O-N 3.22Å; V1620-I1623 PolarHBondContact O-N 2.76Å; I1623-Y1625 VanDerWaalsContact C-N 3.29Å; I1623-Y1625 PolarHBondContact O-N 3.32Å; I1623-T1626 PolarHBondContact O-N 2.96Å; I1623-T1626 PolarHBondContact O-OG1 3.19Å; I1623-E1627 HydrophobicContact CG2-CG 4.31Å; I1623-E1627 WeakPolarHBondContact O-CG 3.24Å; I1623-E1627 PolarHBondContact O-N 2.92Å; I1623-L1682 HydrophobicContact CD1-CB 4.37Å; I1623-L1682 HydrophobicContact CG1-CB 3.72Å; I1623-L1682 HydrophobicContact CG1-CD1 4.21Å; I1623-L1682 HydrophobicContact CG1-CG 4.39Å; I1623-F1683 HydrophobicContact CG2-CE2 3.99Å; I1623-F1683 HydrophobicContact CG2-CZ 4.18Å; I1623-R1686 HydrophobicContact CD1-CB 4.34Å
1624T90.8Very high87.7Confident58 Ų5837.1 Ų37.136%0.35620%0.196SC..Hα-helixtrans-62.5-36.4-176.8-61.20000111.8V1620 E1627 C1628V1620-T1624 PolarHBondContact O-N 2.84Å; V1620-T1624 PolarHBondContact O-OG1 3.05Å; T1624-E1627 PolarHBondContact O-N 3.35Å; T1624-C1628 WeakPolarHBondContact O-CB 3.35Å; T1624-C1628 PolarHBondContact O-N 3.25Å; T1624-C1628 PolarHBondContact O-SG 3.01Å
1625Y92.3Very high88.1Confident71 Ų7139.2 Ų39.228%0.27821%0.208SC..Hα-helixtrans-63.5-44.5172.7-166.3-94.4000111.4I1595 P1598 L1599 T1621 I1623 E1627 C1628 V1629I1595-Y1625 WeakPolarHBondContact O-CE1 3.49Å; I1595-Y1625 PolarHBondContact O-OH 3.39Å; P1598-Y1625 HydrophobicContact CB-CE1 4.39Å; L1599-Y1625 HydrophobicContact CD2-CD1 3.81Å; L1599-Y1625 HydrophobicContact CD2-CE1 4.42Å; L1599-Y1625 HydrophobicContact CG-CD1 4.14Å; L1599-Y1625 HydrophobicContact CG-CE1 4.25Å; T1621-Y1625 WeakPolarHBondContact O-CB 3.31Å; T1621-Y1625 PolarHBondContact O-N 3.45Å; I1623-Y1625 VanDerWaalsContact C-N 3.29Å; I1623-Y1625 PolarHBondContact O-N 3.32Å; Y1625-E1627 PolarHBondContact O-N 2.92Å; Y1625-C1628 PolarHBondContact O-N 2.82Å; Y1625-V1629 HydrophobicContact CD1-CG2 3.82Å; Y1625-V1629 HydrophobicContact CE1-CG2 3.53Å; Y1625-V1629 WeakPolarHBondContact O-CB 3.5Å; Y1625-V1629 VanDerWaalsContact O-CG2 3.3Å; Y1625-V1629 WeakPolarHBondContact O-CG2 3.23Å; Y1625-V1629 PolarHBondContact O-N 3.16Å
1626T91.4Very high88.5Confident0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-63.5-39175.154.20000113.4L1599 M1622 I1623 V1629 I1630 L1678 L1682L1599-T1626 HydrophobicContact CD1-CG2 4.46Å; L1599-T1626 HydrophobicContact CD2-CG2 3.91Å; M1622-T1626 WeakPolarHBondContact O-CG2 3.48Å; M1622-T1626 PolarHBondContact O-N 2.91Å; M1622-T1626 PolarHBondContact O-OG1 2.82Å; I1623-T1626 PolarHBondContact O-N 2.96Å; I1623-T1626 PolarHBondContact O-OG1 3.19Å; T1626-V1629 PolarHBondContact O-N 3.24Å; T1626-I1630 VanDerWaalsContact O-CG1 3.31Å; T1626-I1630 WeakPolarHBondContact O-CG1 3.41Å; T1626-I1630 PolarHBondContact O-N 3.1Å; T1626-L1678 HydrophobicContact CG2-CD2 3.61Å; T1626-L1678 HydrophobicContact CG2-CG 4.02Å; T1626-L1682 HydrophobicContact CG2-CD1 3.96Å
1627E89.8Confident88.6Confident31 Ų3133.6 Ų33.615%0.14518%0.18CC..Hα-helixtrans-62.7-46.2174.3-70.3172161.700111L1160 I1623 T1624 Y1625 I1630 V1631 L1679 F1683L1160-E1627 HydrophobicContact CD2-CG 4.4Å; I1623-E1627 HydrophobicContact CG2-CG 4.31Å; I1623-E1627 WeakPolarHBondContact O-CG 3.24Å; I1623-E1627 PolarHBondContact O-N 2.92Å; T1624-E1627 PolarHBondContact O-N 3.35Å; Y1625-E1627 PolarHBondContact O-N 2.92Å; E1627-I1630 PolarHBondContact O-N 3.11Å; E1627-V1631 WeakPolarHBondContact O-CG2 3.12Å; E1627-V1631 PolarHBondContact O-N 3.4Å; E1627-L1679 HydrophobicContact CG-CD1 3.69Å; E1627-F1683 WeakPolarHBondContact OE1-CZ 3.46Å
1628C88.9Confident88.4Confident64 Ų6427.9 Ų27.943%0.43216%0.155SC..Hα-helixtrans-60.9-43173.8-71.30000112.6T1624 Y1625 V1631 I1632T1624-C1628 WeakPolarHBondContact O-CB 3.35Å; T1624-C1628 PolarHBondContact O-N 3.25Å; T1624-C1628 PolarHBondContact O-SG 3.01Å; Y1625-C1628 PolarHBondContact O-N 2.82Å; C1628-V1631 PolarHBondContact O-N 3.39Å; C1628-I1632 WeakPolarHBondContact O-CB 3.22Å; C1628-I1632 WeakPolarHBondContact O-CD1 3.39Å; C1628-I1632 WeakPolarHBondContact O-CG1 3.47Å; C1628-I1632 PolarHBondContact O-N 2.77Å
1629V88.6Confident87.7Confident1 Ų129.8 Ų29.81%0.00617%0.171CC..Hα-helixtrans-63.9-40.9177.9168.90000111.5I1595 T1596 Y1625 T1626 K1633I1595-V1629 HydrophobicContact CG2-CG1 4.35Å; I1595-V1629 HydrophobicContact CG2-CG2 3.8Å; T1596-V1629 HydrophobicContact CG2-CG1 4.49Å; Y1625-V1629 HydrophobicContact CD1-CG2 3.82Å; Y1625-V1629 HydrophobicContact CE1-CG2 3.53Å; Y1625-V1629 WeakPolarHBondContact O-CB 3.5Å; Y1625-V1629 VanDerWaalsContact O-CG2 3.3Å; Y1625-V1629 WeakPolarHBondContact O-CG2 3.23Å; Y1625-V1629 PolarHBondContact O-N 3.16Å; T1626-V1629 PolarHBondContact O-N 3.24Å; V1629-K1633 HydrophobicContact CG1-CD 3.83Å; V1629-K1633 HydrophobicContact CG1-CG 4.26Å; V1629-K1633 VanDerWaalsContact O-CB 3.27Å; V1629-K1633 WeakPolarHBondContact O-CB 3.26Å; V1629-K1633 VanDerWaalsContact O-CG 3.25Å; V1629-K1633 WeakPolarHBondContact O-CG 3.44Å; V1629-K1633 PolarHBondContact O-N 3.08Å
1630I87.8Confident87.1Confident12 Ų1233.4 Ų33.46%0.06219%0.187CC..Hα-helixtrans-63.1-46.4175.8-69.7164.6000110.8T1626 E1627 K1633 F1634 D1675 I1676 L1679T1626-I1630 VanDerWaalsContact O-CG1 3.31Å; T1626-I1630 WeakPolarHBondContact O-CG1 3.41Å; T1626-I1630 PolarHBondContact O-N 3.1Å; E1627-I1630 PolarHBondContact O-N 3.11Å; I1630-K1633 PolarHBondContact O-N 2.97Å; I1630-F1634 VanDerWaalsContact O-CB 3.32Å; I1630-F1634 WeakPolarHBondContact O-CB 3.45Å; I1630-F1634 PolarHBondContact O-N 2.91Å; I1630-D1675 HydrophobicContact CD1-CB 4.06Å; I1630-D1675 HydrophobicContact CG1-CB 3.66Å; I1630-I1676 HydrophobicContact CD1-CG1 4.25Å; I1630-L1679 HydrophobicContact CD1-CB 4.24Å; I1630-L1679 HydrophobicContact CD1-CD2 3.9Å; I1630-L1679 HydrophobicContact CD1-CG 4.48Å
1631V86.2Confident86.7Confident59 Ų5933.4 Ų33.436%0.35819%0.185SC..Hα-helixtrans-65.2-44.3178.8173.40000111.6E1627 C1628 F1634 V1635E1627-V1631 WeakPolarHBondContact O-CG2 3.12Å; E1627-V1631 PolarHBondContact O-N 3.4Å; C1628-V1631 PolarHBondContact O-N 3.39Å; V1631-F1634 PolarHBondContact O-N 3.2Å; V1631-V1635 WeakPolarHBondContact O-CG2 3.37Å; V1631-V1635 PolarHBondContact O-N 2.91Å
1632I86.8Confident86.2Confident83 Ų8336 Ų3643%0.42620%0.203SC..Hα-helixtrans-62.3-48.1176.9-70.4165.2000110.3C1628 F1634 V1635 C1636C1628-I1632 WeakPolarHBondContact O-CB 3.22Å; C1628-I1632 WeakPolarHBondContact O-CD1 3.39Å; C1628-I1632 WeakPolarHBondContact O-CG1 3.47Å; C1628-I1632 PolarHBondContact O-N 2.77Å; I1632-F1634 VanDerWaalsContact C-N 3.34Å; I1632-F1634 PolarHBondContact O-N 3.44Å; I1632-V1635 PolarHBondContact O-N 3.1Å; I1632-C1636 WeakPolarHBondContact O-CB 3.02Å; I1632-C1636 PolarHBondContact O-N 3.46Å; I1632-C1636 PolarHBondContact O-SG 3.18Å
1633K86.7Confident85.8Confident8 Ų838.6 Ų38.64%0.03521%0.213CC..Hα-helixtrans-59.8-43.7177.5-76175.8172.7173.40111.7V1629 I1630 C1636 Q1637 F1671 D1675V1629-K1633 HydrophobicContact CG1-CD 3.83Å; V1629-K1633 HydrophobicContact CG1-CG 4.26Å; V1629-K1633 VanDerWaalsContact O-CB 3.27Å; V1629-K1633 WeakPolarHBondContact O-CB 3.26Å; V1629-K1633 VanDerWaalsContact O-CG 3.25Å; V1629-K1633 WeakPolarHBondContact O-CG 3.44Å; V1629-K1633 PolarHBondContact O-N 3.08Å; I1630-K1633 PolarHBondContact O-N 2.97Å; K1633-C1636 CarbonylContact O-C 3.56Å; K1633-C1636 PolarHBondContact O-N 3.38Å; K1633-Q1637 WeakPolarHBondContact O-CG 2.84Å; K1633-Q1637 PolarHBondContact O-N 3.35Å; K1633-Q1637 VanDerWaalsContact O-N 3.11Å; K1633-F1671 HydrophobicContact CB-CD2 3.84Å; K1633-F1671 HydrophobicContact CB-CE2 4.18Å; K1633-D1675 IonicContact NZ-OD1 2.76Å; K1633-D1675 PolarHBondContact NZ-OD1 3.02Å; K1633-D1675 IonicContact NZ-OD2 3.02Å; K1633-D1675 PolarHBondContact NZ-OD2 3.49Å
1634F86.2Confident85.3Confident3 Ų339 Ų391%0.01322%0.215CC..Hα-helixtrans-59.8-49.2176.5-178.9-83.1000111.6A1152 L1153 I1156 I1630 V1631 I1632 C1636 Q1637 F1638 F1671A1152-F1634 HydrophobicContact CB-CE2 4.32Å; A1152-F1634 HydrophobicContact CB-CZ 4.22Å; L1153-F1634 HydrophobicContact CB-CE1 3.87Å; L1153-F1634 HydrophobicContact CB-CZ 4.1Å; L1153-F1634 HydrophobicContact CD1-CD1 4.04Å; L1153-F1634 HydrophobicContact CD1-CE1 3.89Å; L1153-F1634 HydrophobicContact CG-CE1 4.41Å; I1156-F1634 HydrophobicContact CD1-CD2 3.51Å; I1156-F1634 HydrophobicContact CD1-CE2 3.63Å; I1156-F1634 HydrophobicContact CD1-CG 4.16Å; I1156-F1634 HydrophobicContact CD1-CZ 4.36Å; I1630-F1634 VanDerWaalsContact O-CB 3.32Å; I1630-F1634 WeakPolarHBondContact O-CB 3.45Å; I1630-F1634 PolarHBondContact O-N 2.91Å; V1631-F1634 PolarHBondContact O-N 3.2Å; I1632-F1634 VanDerWaalsContact C-N 3.34Å; I1632-F1634 PolarHBondContact O-N 3.44Å; F1634-C1636 PolarHBondContact O-N 3.35Å; F1634-Q1637 PolarHBondContact O-N 3.15Å; F1634-F1638 HydrophobicContact CD1-CE2 4.47Å; F1634-F1638 HydrophobicContact CE1-CE2 4.15Å; F1634-F1638 HydrophobicContact CE1-CZ 4.16Å; F1634-F1671 HydrophobicContact CB-CE2 4.2Å; F1634-F1671 HydrophobicContact CB-CZ 4.34Å; F1634-F1671 HydrophobicContact CD2-CZ 4.06Å
1635V85.7Confident84.7Confident59 Ų5938.1 Ų38.136%0.35821%0.211SC..Hα-helixtrans-62.1-31.7177171.90000111.8V1631 I1632 F1638 M1641V1631-V1635 WeakPolarHBondContact O-CG2 3.37Å; V1631-V1635 PolarHBondContact O-N 2.91Å; I1632-V1635 PolarHBondContact O-N 3.1Å; V1635-F1638 WeakPolarHBondContact O-CD2 3.44Å; V1635-M1641 HydrophobicContact CG1-CE 4.16Å; V1635-M1641 WeakPolarHBondContact O-CE 3.35Å
1636C86.6Confident84Confident20 Ų2040.6 Ų40.614%0.13523%0.228CC..THydrogen-bonded Turntrans-81.4-6.6175.6-66.80000114.9I1632 K1633 F1634 Y1643 N1644 V1665I1632-C1636 WeakPolarHBondContact O-CB 3.02Å; I1632-C1636 PolarHBondContact O-N 3.46Å; I1632-C1636 PolarHBondContact O-SG 3.18Å; K1633-C1636 CarbonylContact O-C 3.56Å; K1633-C1636 PolarHBondContact O-N 3.38Å; F1634-C1636 PolarHBondContact O-N 3.35Å; C1636-Y1643 VanDerWaalsContact CB-OH 3.25Å; C1636-Y1643 WeakPolarHBondContact CB-OH 3.29Å; C1636-Y1643 PolarHBondContact SG-OH 3.28Å; C1636-Y1643 VanDerWaalsContact SG-OH 3.37Å; C1636-N1644 PolarHBondContact O-ND2 3.27Å; C1636-V1665 HydrophobicContact CB-CG1 3.29Å
1637Q84.5Confident83.5Confident7 Ų745.8 Ų45.83%0.03326%0.26CS..THydrogen-bonded Turntrans-79.9-19.4172.4-65-53.5-7900113.3T1148 K1633 F1634 A1639 N1644 Q1667 R1668 F1671T1148-Q1637 HydrophobicContact CG2-CB 3.68Å; T1148-Q1637 HydrophobicContact CG2-CG 4.37Å; K1633-Q1637 WeakPolarHBondContact O-CG 2.84Å; K1633-Q1637 PolarHBondContact O-N 3.35Å; K1633-Q1637 VanDerWaalsContact O-N 3.11Å; F1634-Q1637 PolarHBondContact O-N 3.15Å; Q1637-A1639 PolarHBondContact O-N 3.04Å; Q1637-N1644 PolarHBondContact O-ND2 3.36Å; Q1637-Q1667 VanDerWaalsContact OE1-CA 3.28Å; Q1637-R1668 PolarHBondContact OE1-O 3.48Å; Q1637-F1671 HydrophobicContact CG-CB 4.34Å; Q1637-F1671 HydrophobicContact CG-CD1 3.54Å; Q1637-F1671 HydrophobicContact CG-CD2 3.91Å; Q1637-F1671 HydrophobicContact CG-CE1 3.72Å; Q1637-F1671 HydrophobicContact CG-CE2 4.05Å; Q1637-F1671 HydrophobicContact CG-CG 3.66Å; Q1637-F1671 HydrophobicContact CG-CZ 3.96Å
1638F82.6Confident83.3Confident15 Ų1548 Ų487%0.06627%0.267CS..SBendtrans-55.9135-178.1-79.4-71.9000112.1T1148 F1634 V1635 F1640 M1641 N1644T1148-F1638 WeakPolarHBondContact O-CD1 3.3Å; T1148-F1638 WeakPolarHBondContact O-CE1 3.33Å; F1634-F1638 HydrophobicContact CD1-CE2 4.47Å; F1634-F1638 HydrophobicContact CE1-CE2 4.15Å; F1634-F1638 HydrophobicContact CE1-CZ 4.16Å; V1635-F1638 WeakPolarHBondContact O-CD2 3.44Å; F1638-F1640 HydrophobicContact CB-CD1 3.71Å; F1638-F1640 HydrophobicContact CB-CE1 3.35Å; F1638-F1640 HydrophobicContact CB-CE2 4.43Å; F1638-F1640 HydrophobicContact CB-CG 4.39Å; F1638-F1640 HydrophobicContact CB-CZ 3.74Å; F1638-F1640 HydrophobicContact CD1-CD1 4.45Å; F1638-F1640 AromaticContact CD1-CE1 3.88Å; F1638-F1640 HydrophobicContact CD1-CE1 3.88Å; F1638-F1640 AromaticContact CD2-CE1 4Å; F1638-F1640 HydrophobicContact CD2-CE1 4Å; F1638-F1640 HydrophobicContact CD2-CZ 4.08Å; F1638-F1640 HydrophobicContact CG-CD1 4.23Å; F1638-F1640 AromaticContact CG-CE1 3.5Å; F1638-F1640 HydrophobicContact CG-CE1 3.5Å; F1638-F1640 AromaticContact CG-CZ 3.99Å; F1638-F1640 HydrophobicContact CG-CZ 3.99Å; F1638-F1640 PolarHBondContact O-N 3.04Å; F1638-M1641 WeakPolarHBondContact O-CB 3.33Å; F1638-M1641 WeakPolarHBondContact O-CG 3.42Å; F1638-M1641 PolarHBondContact O-N 3.1Å; F1638-N1644 PolarHBondContact O-ND2 3.48Å
1639A74.9Confident82.8Confident40 Ų4050.4 Ų50.433%0.33127%0.267SS..THydrogen-bonded Turntrans-66.8-16.7-174.400000114.8Q1637 M1641Q1637-A1639 PolarHBondContact O-N 3.04Å; A1639-M1641 PolarHBondContact O-N 3.48Å
1640F78.4Confident82.4Confident82 Ų8254.9 Ų54.936%0.3629%0.294SS..THydrogen-bonded Turntrans-73.2-11.3174.863.7-105.8000113.9I1226 F1638I1226-F1640 HydrophobicContact CG1-CB 4.3Å; F1638-F1640 HydrophobicContact CB-CD1 3.71Å; F1638-F1640 HydrophobicContact CB-CE1 3.35Å; F1638-F1640 HydrophobicContact CB-CE2 4.43Å; F1638-F1640 HydrophobicContact CB-CG 4.39Å; F1638-F1640 HydrophobicContact CB-CZ 3.74Å; F1638-F1640 HydrophobicContact CD1-CD1 4.45Å; F1638-F1640 AromaticContact CD1-CE1 3.88Å; F1638-F1640 HydrophobicContact CD1-CE1 3.88Å; F1638-F1640 AromaticContact CD2-CE1 4Å; F1638-F1640 HydrophobicContact CD2-CE1 4Å; F1638-F1640 HydrophobicContact CD2-CZ 4.08Å; F1638-F1640 HydrophobicContact CG-CD1 4.23Å; F1638-F1640 AromaticContact CG-CE1 3.5Å; F1638-F1640 HydrophobicContact CG-CE1 3.5Å; F1638-F1640 AromaticContact CG-CZ 3.99Å; F1638-F1640 HydrophobicContact CG-CZ 3.99Å; F1638-F1640 PolarHBondContact O-N 3.04Å
1641M81.5Confident82.1Confident41 Ų4161.4 Ų61.420%0.20232%0.324CS..SBendtrans-68.3128.4175.8-68.8-66.7-177.600110.3V1635 F1638 A1639 Y1643 N1644V1635-M1641 HydrophobicContact CG1-CE 4.16Å; V1635-M1641 WeakPolarHBondContact O-CE 3.35Å; F1638-M1641 WeakPolarHBondContact O-CB 3.33Å; F1638-M1641 WeakPolarHBondContact O-CG 3.42Å; F1638-M1641 PolarHBondContact O-N 3.1Å; A1639-M1641 PolarHBondContact O-N 3.48Å; M1641-Y1643 VanDerWaalsContact C-N 3.25Å; M1641-Y1643 HydrophobicContact CB-CD1 4.4Å; M1641-Y1643 HydrophobicContact CB-CE1 3.88Å; M1641-Y1643 HydrophobicContact CB-CE2 4Å; M1641-Y1643 HydrophobicContact CG-CE1 4.34Å; M1641-Y1643 PolarHBondContact O-N 2.94Å; M1641-Y1643 VanDerWaalsContact O-N 3.08Å; M1641-Y1643 HydrophobicContact SD-CE1 4.32Å; M1641-N1644 HydrophobicContact CB-CB 4.4Å; M1641-N1644 WeakPolarHBondContact O-CB 3.42Å; M1641-N1644 PolarHBondContact O-N 3.24Å
1642P80.1Confident82Confident100 Ų10060.6 Ų60.665%0.64932%0.317SS*.G310 helixtrans-55.8-35.2-172.2-28.935.2000114.8N1644 S1645P1642-N1644 VanDerWaalsContact C-N 3.32Å; P1642-N1644 PolarHBondContact O-N 3.45Å; P1642-S1645 VanDerWaalsContact O-CB 3.29Å; P1642-S1645 WeakPolarHBondContact O-CB 3.36Å; P1642-S1645 PolarHBondContact O-N 3.13Å; P1642-S1645 PolarHBondContact O-OG 2.88Å
1643Y82.3Confident81.4Confident56 Ų5662.9 Ų62.922%0.2233%0.325CS..G310 helixtrans-76.4-14179.554.6-97.7000114.4C1636 M1641 S1645 W1648 D1660 V1665C1636-Y1643 VanDerWaalsContact CB-OH 3.25Å; C1636-Y1643 WeakPolarHBondContact CB-OH 3.29Å; C1636-Y1643 PolarHBondContact SG-OH 3.28Å; C1636-Y1643 VanDerWaalsContact SG-OH 3.37Å; M1641-Y1643 VanDerWaalsContact C-N 3.25Å; M1641-Y1643 HydrophobicContact CB-CD1 4.4Å; M1641-Y1643 HydrophobicContact CB-CE1 3.88Å; M1641-Y1643 HydrophobicContact CB-CE2 4Å; M1641-Y1643 HydrophobicContact CG-CE1 4.34Å; M1641-Y1643 PolarHBondContact O-N 2.94Å; M1641-Y1643 VanDerWaalsContact O-N 3.08Å; M1641-Y1643 HydrophobicContact SD-CE1 4.32Å; Y1643-S1645 VanDerWaalsContact C-N 3.34Å; Y1643-W1648 VanDerWaalsContact CA-CD1 3.49Å; Y1643-D1660 HydrophobicContact CD2-CB 4.43Å; Y1643-V1665 HydrophobicContact CE2-CG1 4.3Å
1644N80Confident80.7Confident8 Ų870.3 Ų70.34%0.04336%0.362CS..G310 helixtrans-83.6-14.3173.2-69.9-18.7000112.3C1636 Q1637 F1638 M1641 P1642 R1649C1636-N1644 PolarHBondContact O-ND2 3.27Å; Q1637-N1644 PolarHBondContact O-ND2 3.36Å; F1638-N1644 PolarHBondContact O-ND2 3.48Å; M1641-N1644 HydrophobicContact CB-CB 4.4Å; M1641-N1644 WeakPolarHBondContact O-CB 3.42Å; M1641-N1644 PolarHBondContact O-N 3.24Å; P1642-N1644 VanDerWaalsContact C-N 3.32Å; P1642-N1644 PolarHBondContact O-N 3.45Å; N1644-R1649 PolarHBondContact O-NH2 3.45Å; N1644-R1649 VanDerWaalsContact O-NH2 3.09Å
1645S78.2Confident80.4Confident40 Ų4073 Ų7328%0.2838%0.377SS..SBendtrans-54143.3173.569.10000111.7P1642 Y1643 T1647 W1648 R1649P1642-S1645 VanDerWaalsContact O-CB 3.29Å; P1642-S1645 WeakPolarHBondContact O-CB 3.36Å; P1642-S1645 PolarHBondContact O-N 3.13Å; P1642-S1645 PolarHBondContact O-OG 2.88Å; Y1643-S1645 VanDerWaalsContact C-N 3.34Å; S1645-T1647 PolarHBondContact O-N 3.05Å; S1645-T1647 PolarHBondContact OG-OG1 3.13Å; S1645-T1647 VanDerWaalsContact OG-OG1 3.12Å; S1645-W1648 PolarHBondContact O-N 3.32Å; S1645-W1648 WeakPolarHBondContact OG-CB 3.39Å; S1645-W1648 PolarHBondContact OG-N 3.37Å; S1645-R1649 PolarHBondContact O-N 2.76Å
1646I77Confident79.8Confident123 Ų12371 Ų7163%0.63137%0.365SS*.Hα-helixtrans-57.7-41179.7-61.4170.9000110R1649 T1650I1646-R1649 PolarHBondContact O-N 3.13Å; I1646-T1650 PolarHBondContact O-N 3.39Å; I1646-T1650 VanDerWaalsContact O-N 3.11Å; I1646-T1650 PolarHBondContact O-OG1 3.46Å
1647T81.1Confident79.4Confident109 Ų10973.6 Ų73.667%0.66938%0.376SS*.Hα-helixtrans-56.9-49.8177.242.30000113.2S1645 R1649 T1650 E1651S1645-T1647 PolarHBondContact O-N 3.05Å; S1645-T1647 PolarHBondContact OG-OG1 3.13Å; S1645-T1647 VanDerWaalsContact OG-OG1 3.12Å; T1647-R1649 PolarHBondContact O-N 3.14Å; T1647-T1650 PolarHBondContact O-N 3.41Å; T1647-E1651 PolarHBondContact O-N 3.27Å
1648W85.2Confident79.3Confident78 Ų7873.5 Ų73.530%0.29538%0.376SS..Hα-helixtrans-62.9-43.5179.9178.6-85.6000111.8Y1643 S1645 T1650 E1651 H1652Y1643-W1648 VanDerWaalsContact CA-CD1 3.49Å; S1645-W1648 PolarHBondContact O-N 3.32Å; S1645-W1648 WeakPolarHBondContact OG-CB 3.39Å; S1645-W1648 PolarHBondContact OG-N 3.37Å; W1648-T1650 PolarHBondContact O-N 3.39Å; W1648-E1651 PolarHBondContact O-N 3.42Å; W1648-H1652 AromaticContact CD2-CE1 3.99Å; W1648-H1652 AromaticContact CD2-ND1 3.74Å; W1648-H1652 AromaticContact CE2-ND1 3.78Å; W1648-H1652 AromaticContact CE3-CE1 3.88Å; W1648-H1652 AromaticContact CH2-CE1 3.94Å; W1648-H1652 AromaticContact CZ3-CE1 3.86Å; W1648-H1652 PolarHBondContact O-N 3.13Å; W1648-H1652 PolarHBondContact O-ND1 3.31Å
1649R78.5Confident79.3Confident115 Ų11578 Ų7843%0.43440%0.4SS..Hα-helixtrans-62.4-40.8-177.8-168-177.3-50.8-173.97.6112.3N1644 S1645 I1646 T1647 Q1653N1644-R1649 PolarHBondContact O-NH2 3.45Å; N1644-R1649 VanDerWaalsContact O-NH2 3.09Å; S1645-R1649 PolarHBondContact O-N 2.76Å; I1646-R1649 PolarHBondContact O-N 3.13Å; T1647-R1649 PolarHBondContact O-N 3.14Å; R1649-Q1653 WeakPolarHBondContact O-CB 3.28Å; R1649-Q1653 PolarHBondContact O-N 3.06Å
1650T80.1Confident79.5Confident95 Ų9577 Ų7758%0.58339%0.39SS*.Hα-helixtrans-69.5-46.7178.5-59.10000111.6I1646 T1647 W1648 H1652 Q1653I1646-T1650 PolarHBondContact O-N 3.39Å; I1646-T1650 VanDerWaalsContact O-N 3.11Å; I1646-T1650 PolarHBondContact O-OG1 3.46Å; T1647-T1650 PolarHBondContact O-N 3.41Å; W1648-T1650 PolarHBondContact O-N 3.39Å; T1650-H1652 PolarHBondContact O-N 2.62Å; T1650-Q1653 PolarHBondContact O-N 3.36Å
1651E82.7Confident79.5Confident149 Ų14975.6 Ų75.670%0.69638%0.383SS*.Hα-helixtrans-59.6-46179.5-177177.7-155.600111.9T1647 W1648 Q1653T1647-E1651 PolarHBondContact O-N 3.27Å; W1648-E1651 PolarHBondContact O-N 3.42Å; E1651-Q1653 PolarHBondContact O-N 3.26Å
1652H82.3Confident79.5Confident42 Ų4275.5 Ų75.519%0.19438%0.383CS..THydrogen-bonded Turntrans-91.98.9-174.6-64.881.1000113.6W1648 T1650 M1654 D1655 K1661W1648-H1652 AromaticContact CD2-CE1 3.99Å; W1648-H1652 AromaticContact CD2-ND1 3.74Å; W1648-H1652 AromaticContact CE2-ND1 3.78Å; W1648-H1652 AromaticContact CE3-CE1 3.88Å; W1648-H1652 AromaticContact CH2-CE1 3.94Å; W1648-H1652 AromaticContact CZ3-CE1 3.86Å; W1648-H1652 PolarHBondContact O-N 3.13Å; W1648-H1652 PolarHBondContact O-ND1 3.31Å; T1650-H1652 PolarHBondContact O-N 2.62Å; H1652-M1654 PolarHBondContact O-N 2.69Å; H1652-D1655 PolarHBondContact O-N 3.02Å; H1652-K1661 PolarHBondContact O-NZ 3.32Å
1653Q75.8Confident79.7Confident130 Ų13075.2 Ų75.261%0.60737%0.372SS*.THydrogen-bonded Turntrans-58.9-42.9-170.5-173.8171.8-21.700113.8R1649 T1650 E1651 K1661R1649-Q1653 WeakPolarHBondContact O-CB 3.28Å; R1649-Q1653 PolarHBondContact O-N 3.06Å; T1650-Q1653 PolarHBondContact O-N 3.36Å; E1651-Q1653 PolarHBondContact O-N 3.26Å; Q1653-K1661 PolarHBondContact O-NZ 3.44Å
1654M71.5Confident79.5Confident164 Ų16473.2 Ų73.281%0.80837%0.369SS*.THydrogen-bonded Turntrans-84-14.3-176.9-67.6-62.7-169.400114.4H1652 P1656H1652-M1654 PolarHBondContact O-N 2.69Å; M1654-P1656 VanDerWaalsContact O-CD 3.3Å; M1654-P1656 WeakPolarHBondContact O-CD 3.39Å
1655D79.3Confident79.5Confident60 Ų6073.6 Ų73.632%0.32137%0.371SS..  trans-83.4116.6179.6-173.57.9000110.8H1652 M1657 K1661H1652-D1655 PolarHBondContact O-N 3.02Å; D1655-M1657 PolarHBondContact O-N 3.41Å; D1655-M1657 WeakPolarHBondContact OD1-CB 3.35Å; D1655-M1657 PolarHBondContact OD1-N 2.99Å; D1655-K1661 WeakPolarHBondContact O-CD 3.45Å; D1655-K1661 PolarHBondContact O-NZ 2.97Å
1656P73.3Confident79.4Confident16 Ų1672.9 Ų72.910%0.10437%0.366CS..THydrogen-bonded Turntrans-73-15173.731-35.3000113.2M1654 P1882M1654-P1656 VanDerWaalsContact O-CD 3.3Å; M1654-P1656 WeakPolarHBondContact O-CD 3.39Å; P1656-P1882 HydrophobicContact CB-CB 4.08Å
1657M79.1Confident79.4Confident75 Ų7569.2 Ų69.237%0.36935%0.346SS..THydrogen-bonded Turntrans-96.86-175.7-62.7-63-68.900113.8D1655D1655-M1657 PolarHBondContact O-N 3.41Å; D1655-M1657 WeakPolarHBondContact OD1-CB 3.35Å; D1655-M1657 PolarHBondContact OD1-N 2.99Å
1658S81.4Confident79.1Confident5 Ų568.7 Ų68.74%0.03533%0.332CS..  trans-60.5141.1176.275.50000111.4D1660 K1661 L1662S1658-D1660 VanDerWaalsContact C-N 3.26Å; S1658-D1660 VanDerWaalsContact CB-OD1 3.24Å; S1658-D1660 WeakPolarHBondContact CB-OD1 3.47Å; S1658-D1660 PolarHBondContact O-N 3.05Å; S1658-D1660 VanDerWaalsContact O-N 3.17Å; S1658-D1660 PolarHBondContact OG-OD1 3.27Å; S1658-K1661 PolarHBondContact O-N 3.01Å; S1658-K1661 WeakPolarHBondContact OG-CD 3.09Å; S1658-K1661 WeakPolarHBondContact OG-CE 3.31Å; S1658-K1661 WeakPolarHBondContact OG-CG 3.38Å; S1658-L1662 WeakPolarHBondContact O-CB 3.31Å; S1658-L1662 PolarHBondContact O-N 3.45Å
1659L82.2Confident78.5Confident110 Ų11071.2 Ų71.258%0.57635%0.351SS*.Hα-helixtrans-56.8-37.8-170.3-68.1175000113.3K1661 F1663L1659-K1661 PolarHBondContact O-N 3.09Å; L1659-F1663 HydrophobicContact CD2-CE2 4.37Å; L1659-F1663 WeakPolarHBondContact O-CD2 3.42Å; L1659-F1663 PolarHBondContact O-N 3.12Å
1660D80.3Confident78.3Confident20 Ų2069.8 Ų69.811%0.10736%0.359CS..Hα-helixtrans-64.8-35.6177.965-64.1000113Y1643 S1658 G1664 V1665 S1666Y1643-D1660 HydrophobicContact CD2-CB 4.43Å; S1658-D1660 VanDerWaalsContact C-N 3.26Å; S1658-D1660 VanDerWaalsContact CB-OD1 3.24Å; S1658-D1660 WeakPolarHBondContact CB-OD1 3.47Å; S1658-D1660 PolarHBondContact O-N 3.05Å; S1658-D1660 VanDerWaalsContact O-N 3.17Å; S1658-D1660 PolarHBondContact OG-OD1 3.27Å; D1660-G1664 PolarHBondContact O-N 3.24Å; D1660-V1665 PolarHBondContact O-N 3.04Å; D1660-S1666 PolarHBondContact O-N 2.92Å
1661K77.9Confident78.2Confident51 Ų5166.5 Ų66.522%0.22234%0.337CS..Hα-helixtrans-81.1-41.5176.4-64.3177-156.3161.60111.6H1652 Q1653 D1655 S1658 L1659 F1663 G1664H1652-K1661 PolarHBondContact O-NZ 3.32Å; Q1653-K1661 PolarHBondContact O-NZ 3.44Å; D1655-K1661 WeakPolarHBondContact O-CD 3.45Å; D1655-K1661 PolarHBondContact O-NZ 2.97Å; S1658-K1661 PolarHBondContact O-N 3.01Å; S1658-K1661 WeakPolarHBondContact OG-CD 3.09Å; S1658-K1661 WeakPolarHBondContact OG-CE 3.31Å; S1658-K1661 WeakPolarHBondContact OG-CG 3.38Å; L1659-K1661 PolarHBondContact O-N 3.09Å; K1661-F1663 PolarHBondContact O-N 3.36Å; K1661-G1664 PolarHBondContact O-N 3.44Å; K1661-G1664 VanDerWaalsContact O-N 3.09Å
1662L80.9Confident77.9Confident40 Ų4059.5 Ų59.521%0.20931%0.305CS..Hα-helixtrans-62.1-42.3179.8-176.566.3000111.8L1594 S1658 L1879L1594-L1662 HydrophobicContact CD1-CD1 4.07Å; L1594-L1662 HydrophobicContact CD1-CD2 4.16Å; L1594-L1662 HydrophobicContact CD1-CG 3.74Å; L1594-L1662 HydrophobicContact CG-CD1 4.33Å; L1594-L1662 HydrophobicContact CG-CG 4.31Å; L1594-L1662 WeakPolarHBondContact CG-O 3.46Å; L1594-L1662 PolarHBondContact N-O 2.91Å; S1658-L1662 WeakPolarHBondContact O-CB 3.31Å; S1658-L1662 PolarHBondContact O-N 3.45Å; L1662-L1879 HydrophobicContact CD1-CD2 4.14Å
1663F84.2Confident77.9Confident93 Ų9361.7 Ų61.741%0.40832%0.317SS..Hα-helixtrans-78.2-20.6173.1-75.8-67.2000113.5L1594 I1595 L1659 K1661 V1665L1594-F1663 HydrophobicContact CB-CD1 4.13Å; L1594-F1663 HydrophobicContact CD1-CE1 4.39Å; I1595-F1663 HydrophobicContact CD1-CB 4.11Å; I1595-F1663 HydrophobicContact CD1-CD1 4.39Å; I1595-F1663 HydrophobicContact CG1-CB 4.19Å; I1595-F1663 HydrophobicContact CG1-CD1 3.96Å; I1595-F1663 WeakPolarHBondContact CG1-O 3.14Å; I1595-F1663 PolarHBondContact N-O 2.95Å; L1659-F1663 HydrophobicContact CD2-CE2 4.37Å; L1659-F1663 WeakPolarHBondContact O-CD2 3.42Å; L1659-F1663 PolarHBondContact O-N 3.12Å; K1661-F1663 PolarHBondContact O-N 3.36Å; F1663-V1665 HydrophobicContact CB-CG2 3.75Å
1664G77.7Confident78.4Confident15 Ų1559.7 Ų59.716%0.15530%0.304CS..THydrogen-bonded Turntrans80.437.4-177.800000113.5D1660 K1661D1660-G1664 PolarHBondContact O-N 3.24Å; K1661-G1664 PolarHBondContact O-N 3.44Å; K1661-G1664 VanDerWaalsContact O-N 3.09Å
1665V80.5Confident79.1Confident15 Ų1551.9 Ų51.99%0.09127%0.266CS..  trans-115.4-4-167.4-179.90000112.9I1595 C1636 Y1643 D1660 F1663I1595-V1665 HydrophobicContact CD1-CG2 3.5Å; I1595-V1665 VanDerWaalsContact CD1-CG2 3.5Å; C1636-V1665 HydrophobicContact CB-CG1 3.29Å; Y1643-V1665 HydrophobicContact CE2-CG1 4.3Å; D1660-V1665 PolarHBondContact O-N 3.04Å; F1663-V1665 HydrophobicContact CB-CG2 3.75Å
1666S76.1Confident79.5Confident26 Ų2649.9 Ų49.918%0.18226%0.255CS..  trans-54144.8177.848.10000114.2D1660 R1668D1660-S1666 PolarHBondContact O-N 2.92Å; S1666-R1668 PolarHBondContact O-N 3.45Å
1667Q77.2Confident80.1Confident45 Ų4551.5 Ų51.521%0.2126%0.264CS..  trans-61128.7178.4-169-174.9-3.500111.6E1256 Q1637E1256-Q1667 PolarHBondContact OE1-NE2 2.72Å; Q1637-Q1667 VanDerWaalsContact OE1-CA 3.28Å
1668R75.5Confident80.7Confident99 Ų9947.9 Ų47.937%0.37425%0.247SC..  trans-151.1137.4178-65.6-174.6-179.3-175.3-0.7111.7M1590 Q1637 S1666 S1670 F1671 I1890M1590-R1668 PolarHBondContact O-NH1 3.28Å; Q1637-R1668 PolarHBondContact OE1-O 3.48Å; S1666-R1668 PolarHBondContact O-N 3.45Å; R1668-S1670 PolarHBondContact O-N 3.08Å; R1668-F1671 HydrophobicContact CB-CB 4.39Å; R1668-F1671 WeakPolarHBondContact O-CB 3.32Å; R1668-F1671 PolarHBondContact O-N 3.26Å; R1668-F1671 VanDerWaalsContact O-N 3.11Å; R1668-I1890 VanDerWaalsContact NH2-CD1 3.26Å
1669D72.4Confident81.1Confident130 Ų13047.7 Ų47.770%0.69525%0.245SC*.THydrogen-bonded Turntrans-51-19176.7-6247.1000115.6K1258K1258-D1669 IonicContact NZ-OD2 2.66Å; K1258-D1669 PolarHBondContact NZ-OD2 3.05Å
1670S74.6Confident81.3Confident85 Ų8545 Ų4559%0.59423%0.229SC*.THydrogen-bonded Turntrans-137.940.7-179.7-63.40000112.5R1668 A1672 L1673R1668-S1670 PolarHBondContact O-N 3.08Å; S1670-A1672 VanDerWaalsContact C-N 3.27Å; S1670-A1672 PolarHBondContact O-N 3.32Å; S1670-A1672 VanDerWaalsContact O-N 3.14Å; S1670-L1673 PolarHBondContact O-N 3.11Å
1671F76.8Confident81.7Confident27 Ų2744.7 Ų44.712%0.11823%0.228CC..THydrogen-bonded Turntrans-53.1-31.4-172.967-86.3000116.2K1633 F1634 Q1637 R1668K1633-F1671 HydrophobicContact CB-CD2 3.84Å; K1633-F1671 HydrophobicContact CB-CE2 4.18Å; F1634-F1671 HydrophobicContact CB-CE2 4.2Å; F1634-F1671 HydrophobicContact CB-CZ 4.34Å; F1634-F1671 HydrophobicContact CD2-CZ 4.06Å; Q1637-F1671 HydrophobicContact CG-CB 4.34Å; Q1637-F1671 HydrophobicContact CG-CD1 3.54Å; Q1637-F1671 HydrophobicContact CG-CD2 3.91Å; Q1637-F1671 HydrophobicContact CG-CE1 3.72Å; Q1637-F1671 HydrophobicContact CG-CE2 4.05Å; Q1637-F1671 HydrophobicContact CG-CG 3.66Å; Q1637-F1671 HydrophobicContact CG-CZ 3.96Å; R1668-F1671 HydrophobicContact CB-CB 4.39Å; R1668-F1671 WeakPolarHBondContact O-CB 3.32Å; R1668-F1671 PolarHBondContact O-N 3.26Å; R1668-F1671 VanDerWaalsContact O-N 3.11Å
1672A77.2Confident82.4Confident2 Ų242.3 Ų42.32%0.01722%0.218CC..THydrogen-bonded Turntrans-112.3-0.2-172.800000115.7S1670 W1674 D1675 I1676S1670-A1672 VanDerWaalsContact C-N 3.27Å; S1670-A1672 PolarHBondContact O-N 3.32Å; S1670-A1672 VanDerWaalsContact O-N 3.14Å; A1672-W1674 VanDerWaalsContact C-N 3.34Å; A1672-W1674 PolarHBondContact O-N 2.92Å; A1672-D1675 WeakPolarHBondContact CA-OD2 3.41Å; A1672-D1675 WeakPolarHBondContact O-CB 3.42Å; A1672-D1675 PolarHBondContact O-N 3.41Å; A1672-I1676 HydrophobicContact CB-CD1 3.78Å; A1672-I1676 HydrophobicContact CB-CG1 4.3Å; A1672-I1676 VanDerWaalsContact O-CD1 3.31Å; A1672-I1676 WeakPolarHBondContact O-CD1 3.24Å; A1672-I1676 WeakPolarHBondContact O-CG1 3.35Å; A1672-I1676 PolarHBondContact O-N 3.13Å
1673L81.3Confident82.7Confident88 Ų8840.9 Ų40.946%0.46121%0.21SC..Hα-helixtrans-56-44.5-167-176.5148.8000113.2S1670 I1676 V1677S1670-L1673 PolarHBondContact O-N 3.11Å; L1673-I1676 PolarHBondContact O-N 3.01Å; L1673-V1677 HydrophobicContact CD2-CG2 4.36Å; L1673-V1677 WeakPolarHBondContact O-CG2 3.44Å; L1673-V1677 PolarHBondContact O-N 3.44Å
1674W87Confident82.9Confident87 Ų8740.2 Ų40.233%0.3321%0.207SC..Hα-helixtrans-71.4-35.2178.4-68.2103.8000112.8M1586 M1590 A1672 I1676 V1677 L1678M1586-W1674 HydrophobicContact CB-CE3 4.21Å; M1586-W1674 HydrophobicContact CB-CZ3 4.35Å; M1590-W1674 HydrophobicContact CB-CG 4.24Å; M1590-W1674 HydrophobicContact CE-CZ2 4.47Å; M1590-W1674 HydrophobicContact CG-CD2 4.27Å; M1590-W1674 HydrophobicContact CG-CG 4.27Å; M1590-W1674 HydrophobicContact CG-CZ2 4.36Å; A1672-W1674 VanDerWaalsContact C-N 3.34Å; A1672-W1674 PolarHBondContact O-N 2.92Å; W1674-I1676 VanDerWaalsContact C-N 3.29Å; W1674-I1676 PolarHBondContact O-N 2.9Å; W1674-V1677 PolarHBondContact O-N 3.21Å; W1674-L1678 WeakPolarHBondContact O-CB 3.25Å; W1674-L1678 PolarHBondContact O-N 3.43Å
1675D86.8Confident83.4Confident1 Ų140 Ų401%0.00520%0.202CC..Hα-helixtrans-63.4-36.3173.3-49.2-89.3000111.1T1587 I1630 K1633 A1672 L1678 L1679T1587-D1675 WeakPolarHBondContact CG2-OD1 3.32Å; I1630-D1675 HydrophobicContact CD1-CB 4.06Å; I1630-D1675 HydrophobicContact CG1-CB 3.66Å; K1633-D1675 IonicContact NZ-OD1 2.76Å; K1633-D1675 PolarHBondContact NZ-OD1 3.02Å; K1633-D1675 IonicContact NZ-OD2 3.02Å; K1633-D1675 PolarHBondContact NZ-OD2 3.49Å; A1672-D1675 WeakPolarHBondContact CA-OD2 3.41Å; A1672-D1675 WeakPolarHBondContact O-CB 3.42Å; A1672-D1675 PolarHBondContact O-N 3.41Å; D1675-L1678 PolarHBondContact O-N 3.38Å; D1675-L1679 VanDerWaalsContact O-CB 3.3Å; D1675-L1679 WeakPolarHBondContact O-CB 3.46Å; D1675-L1679 PolarHBondContact O-N 3.13Å
1676I86.5Confident83.8Confident17 Ų1739.8 Ų39.89%0.08720%0.2CC..Hα-helixtrans-71.9-40.5176.9-64.8151000111.7L1141 I1145 I1630 A1672 L1673 W1674 L1678 L1679 F1680L1141-I1676 HydrophobicContact CD2-CG2 4.04Å; I1145-I1676 HydrophobicContact CD1-CD1 3.31Å; I1145-I1676 HydrophobicContact CD1-CG1 4.15Å; I1145-I1676 HydrophobicContact CD1-CG2 4.44Å; I1145-I1676 HydrophobicContact CG1-CD1 3.76Å; I1145-I1676 HydrophobicContact CG2-CD1 4.07Å; I1630-I1676 HydrophobicContact CD1-CG1 4.25Å; A1672-I1676 HydrophobicContact CB-CD1 3.78Å; A1672-I1676 HydrophobicContact CB-CG1 4.3Å; A1672-I1676 VanDerWaalsContact O-CD1 3.31Å; A1672-I1676 WeakPolarHBondContact O-CD1 3.24Å; A1672-I1676 WeakPolarHBondContact O-CG1 3.35Å; A1672-I1676 PolarHBondContact O-N 3.13Å; L1673-I1676 PolarHBondContact O-N 3.01Å; W1674-I1676 VanDerWaalsContact C-N 3.29Å; W1674-I1676 PolarHBondContact O-N 2.9Å; I1676-L1678 VanDerWaalsContact C-N 3.32Å; I1676-L1679 WeakPolarHBondContact O-CB 3.47Å; I1676-L1679 PolarHBondContact O-N 2.78Å; I1676-F1680 HydrophobicContact CG2-CD2 3.74Å; I1676-F1680 HydrophobicContact CG2-CE2 3.37Å; I1676-F1680 HydrophobicContact CG2-CZ 4.19Å; I1676-F1680 VanDerWaalsContact O-CD2 3.3Å; I1676-F1680 WeakPolarHBondContact O-CD2 3.27Å; I1676-F1680 PolarHBondContact O-N 2.93Å
1677V87.4Confident84.2Confident50 Ų5039.8 Ų39.830%0.30320%0.196SC..Hα-helixtrans-62.4-42.3172.7171.10000110.5F1583 L1673 W1674 F1680 S1681F1583-V1677 HydrophobicContact CD1-CG1 3.74Å; F1583-V1677 HydrophobicContact CD2-CG1 4.33Å; F1583-V1677 HydrophobicContact CE1-CG1 3.66Å; F1583-V1677 HydrophobicContact CE2-CG1 4.25Å; F1583-V1677 HydrophobicContact CG-CG1 4.09Å; F1583-V1677 HydrophobicContact CZ-CG1 3.93Å; L1673-V1677 HydrophobicContact CD2-CG2 4.36Å; L1673-V1677 WeakPolarHBondContact O-CG2 3.44Å; L1673-V1677 PolarHBondContact O-N 3.44Å; W1674-V1677 PolarHBondContact O-N 3.21Å; V1677-F1680 PolarHBondContact O-N 2.87Å; V1677-S1681 WeakPolarHBondContact O-CB 3.49Å; V1677-S1681 PolarHBondContact O-N 3.47Å
1678L90.7Very high84.5Confident0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-62.2-45.3173179.359.3000111.4C1580 F1583 A1584 L1599 M1622 T1626 W1674 D1675 I1676 F1680 S1681 L1682C1580-L1678 WeakPolarHBondContact O-CD1 3.15Å; F1583-L1678 HydrophobicContact CB-CB 4.27Å; F1583-L1678 HydrophobicContact CB-CD1 3.81Å; A1584-L1678 HydrophobicContact CB-CD1 4.32Å; A1584-L1678 HydrophobicContact CB-CD2 4.4Å; L1599-L1678 HydrophobicContact CD1-CD2 3.96Å; L1599-L1678 HydrophobicContact CD2-CD2 4.41Å; M1622-L1678 HydrophobicContact CE-CD1 4.03Å; T1626-L1678 HydrophobicContact CG2-CD2 3.61Å; T1626-L1678 HydrophobicContact CG2-CG 4.02Å; W1674-L1678 WeakPolarHBondContact O-CB 3.25Å; W1674-L1678 PolarHBondContact O-N 3.43Å; D1675-L1678 PolarHBondContact O-N 3.38Å; I1676-L1678 VanDerWaalsContact C-N 3.32Å; L1678-F1680 PolarHBondContact O-N 3.45Å; L1678-S1681 WeakPolarHBondContact O-CB 3.47Å; L1678-S1681 PolarHBondContact O-N 3.46Å; L1678-L1682 HydrophobicContact CD1-CD1 4.14Å; L1678-L1682 HydrophobicContact CD1-CG 4.21Å; L1678-L1682 HydrophobicContact CG-CD1 3.96Å; L1678-L1682 HydrophobicContact CG-CG 4.49Å; L1678-L1682 WeakPolarHBondContact O-CB 3.41Å; L1678-L1682 VanDerWaalsContact O-CG 3.28Å; L1678-L1682 WeakPolarHBondContact O-CG 3.34Å; L1678-L1682 PolarHBondContact O-N 2.77Å
1679L90.1Very high84.8Confident1 Ų134.6 Ų34.61%0.00518%0.177CC..Hα-helixtrans-56.8-48.8176.4-172.172.2000111.2L1160 L1163 E1627 I1630 D1675 I1676 L1682 F1683L1160-L1679 HydrophobicContact CD2-CD2 3.84Å; L1163-L1679 HydrophobicContact CD2-CD2 4.44Å; E1627-L1679 HydrophobicContact CG-CD1 3.69Å; I1630-L1679 HydrophobicContact CD1-CB 4.24Å; I1630-L1679 HydrophobicContact CD1-CD2 3.9Å; I1630-L1679 HydrophobicContact CD1-CG 4.48Å; D1675-L1679 VanDerWaalsContact O-CB 3.3Å; D1675-L1679 WeakPolarHBondContact O-CB 3.46Å; D1675-L1679 PolarHBondContact O-N 3.13Å; I1676-L1679 WeakPolarHBondContact O-CB 3.47Å; I1676-L1679 PolarHBondContact O-N 2.78Å; L1679-L1682 PolarHBondContact O-N 2.73Å; L1679-F1683 HydrophobicContact CD1-CD2 4.04Å; L1679-F1683 HydrophobicContact CD1-CE2 3.78Å; L1679-F1683 HydrophobicContact CG-CD2 3.97Å; L1679-F1683 HydrophobicContact CG-CE2 4.07Å; L1679-F1683 WeakPolarHBondContact O-CD2 3.47Å; L1679-F1683 PolarHBondContact O-N 3.2Å
1680F87.1Confident85.2Confident53 Ų5332.1 Ų32.123%0.23216%0.158CC..Hα-helixtrans-68.7-33.7177.3-68-44.3000113.4M1138 L1141 L1163 I1676 V1677 L1678 F1683 F1684M1138-F1680 HydrophobicContact CE-CD1 3.87Å; M1138-F1680 HydrophobicContact CE-CE1 3.2Å; M1138-F1680 HydrophobicContact CE-CE2 4.35Å; M1138-F1680 HydrophobicContact CE-CZ 3.47Å; M1138-F1680 VanDerWaalsContact CE-CZ 3.47Å; M1138-F1680 HydrophobicContact SD-CD1 3.8Å; M1138-F1680 HydrophobicContact SD-CD2 3.95Å; M1138-F1680 HydrophobicContact SD-CE1 3.44Å; M1138-F1680 WeakPolarHBondContact SD-CE1 3.17Å; M1138-F1680 HydrophobicContact SD-CE2 3.54Å; M1138-F1680 VanDerWaalsContact SD-CE2 3.54Å; M1138-F1680 HydrophobicContact SD-CG 4.06Å; M1138-F1680 HydrophobicContact SD-CZ 3.26Å; M1138-F1680 WeakPolarHBondContact SD-CZ 3.49Å; L1141-F1680 HydrophobicContact CD2-CE1 4.26Å; L1141-F1680 HydrophobicContact CD2-CE2 3.99Å; L1141-F1680 HydrophobicContact CD2-CZ 3.39Å; L1163-F1680 HydrophobicContact CD1-CE1 4.19Å; L1163-F1680 HydrophobicContact CD2-CD1 4.41Å; L1163-F1680 HydrophobicContact CD2-CE1 4.01Å; I1676-F1680 HydrophobicContact CG2-CD2 3.74Å; I1676-F1680 HydrophobicContact CG2-CE2 3.37Å; I1676-F1680 HydrophobicContact CG2-CZ 4.19Å; I1676-F1680 VanDerWaalsContact O-CD2 3.3Å; I1676-F1680 WeakPolarHBondContact O-CD2 3.27Å; I1676-F1680 PolarHBondContact O-N 2.93Å; V1677-F1680 PolarHBondContact O-N 2.87Å; L1678-F1680 PolarHBondContact O-N 3.45Å; F1680-F1683 PolarHBondContact O-N 3.42Å; F1680-F1684 WeakPolarHBondContact O-CB 3.41Å; F1680-F1684 PolarHBondContact O-N 3.31Å
1681S88.7Confident85.3Confident14 Ų1431.2 Ų31.210%0.09814%0.143CC..Hα-helixtrans-62.2-43.5171.1-167.80000111.3C1580 F1583 V1677 L1678 F1684 H1685C1580-S1681 PolarHBondContact SG-OG 3.46Å; F1583-S1681 WeakPolarHBondContact CD2-OG 3.44Å; V1677-S1681 WeakPolarHBondContact O-CB 3.49Å; V1677-S1681 PolarHBondContact O-N 3.47Å; L1678-S1681 WeakPolarHBondContact O-CB 3.47Å; L1678-S1681 PolarHBondContact O-N 3.46Å; S1681-F1684 PolarHBondContact O-N 3.04Å; S1681-H1685 WeakPolarHBondContact O-CB 3.38Å; S1681-H1685 PolarHBondContact O-N 3.49Å
1682L90.6Very high85.3Confident1 Ų131 Ų311%0.00514%0.143CC..Hα-helixtrans-66.9-40.6176.4-71166.7000112.8C1580 W1619 M1622 I1623 T1626 L1678 L1679 H1685 R1686C1580-L1682 HydrophobicContact CB-CD2 4.16Å; W1619-L1682 HydrophobicContact CE3-CD2 3.68Å; W1619-L1682 HydrophobicContact CZ3-CD2 3.72Å; M1622-L1682 HydrophobicContact CB-CD2 4.43Å; M1622-L1682 HydrophobicContact CE-CD1 4.44Å; M1622-L1682 HydrophobicContact CE-CD2 3.95Å; M1622-L1682 HydrophobicContact CG-CD1 3.97Å; M1622-L1682 HydrophobicContact CG-CD2 3.9Å; M1622-L1682 HydrophobicContact SD-CD2 3.72Å; I1623-L1682 HydrophobicContact CD1-CB 4.37Å; I1623-L1682 HydrophobicContact CG1-CB 3.72Å; I1623-L1682 HydrophobicContact CG1-CD1 4.21Å; I1623-L1682 HydrophobicContact CG1-CG 4.39Å; T1626-L1682 HydrophobicContact CG2-CD1 3.96Å; L1678-L1682 HydrophobicContact CD1-CD1 4.14Å; L1678-L1682 HydrophobicContact CD1-CG 4.21Å; L1678-L1682 HydrophobicContact CG-CD1 3.96Å; L1678-L1682 HydrophobicContact CG-CG 4.49Å; L1678-L1682 WeakPolarHBondContact O-CB 3.41Å; L1678-L1682 VanDerWaalsContact O-CG 3.28Å; L1678-L1682 WeakPolarHBondContact O-CG 3.34Å; L1678-L1682 PolarHBondContact O-N 2.77Å; L1679-L1682 PolarHBondContact O-N 2.73Å; L1682-H1685 PolarHBondContact O-N 2.88Å; L1682-R1686 VanDerWaalsContact O-CB 3.26Å; L1682-R1686 WeakPolarHBondContact O-CB 3.35Å; L1682-R1686 PolarHBondContact O-N 3.28Å
1683F88.5Confident85Confident9 Ų931.3 Ų31.34%0.03915%0.146CC..Hα-helixtrans-68.3-35.3173.6-89.7-80.1000112.3L1163 W1164 I1623 E1627 L1679 F1680 R1686 Y1687L1163-F1683 HydrophobicContact CB-CE1 4.5Å; L1163-F1683 HydrophobicContact CB-CZ 4.47Å; L1163-F1683 HydrophobicContact CD2-CD1 4.29Å; L1163-F1683 HydrophobicContact CD2-CD2 3.51Å; L1163-F1683 HydrophobicContact CD2-CE1 4.29Å; L1163-F1683 HydrophobicContact CD2-CE2 3.51Å; L1163-F1683 HydrophobicContact CD2-CG 3.92Å; L1163-F1683 HydrophobicContact CD2-CZ 3.92Å; L1163-F1683 HydrophobicContact CG-CD1 3.97Å; L1163-F1683 HydrophobicContact CG-CD2 4.11Å; L1163-F1683 HydrophobicContact CG-CE1 3.98Å; L1163-F1683 HydrophobicContact CG-CE2 4.12Å; L1163-F1683 HydrophobicContact CG-CG 4.03Å; L1163-F1683 HydrophobicContact CG-CZ 4.06Å; L1163-F1683 WeakPolarHBondContact O-CE1 3.2Å; W1164-F1683 HydrophobicContact CE3-CZ 4.26Å; I1623-F1683 HydrophobicContact CG2-CE2 3.99Å; I1623-F1683 HydrophobicContact CG2-CZ 4.18Å; E1627-F1683 WeakPolarHBondContact OE1-CZ 3.46Å; L1679-F1683 HydrophobicContact CD1-CD2 4.04Å; L1679-F1683 HydrophobicContact CD1-CE2 3.78Å; L1679-F1683 HydrophobicContact CG-CD2 3.97Å; L1679-F1683 HydrophobicContact CG-CE2 4.07Å; L1679-F1683 WeakPolarHBondContact O-CD2 3.47Å; L1679-F1683 PolarHBondContact O-N 3.2Å; F1680-F1683 PolarHBondContact O-N 3.42Å; F1683-R1686 PolarHBondContact O-N 2.94Å; F1683-Y1687 WeakPolarHBondContact O-CB 3.07Å; F1683-Y1687 PolarHBondContact O-N 2.92Å
1684F87.4Confident84.7Confident80 Ų8028.3 Ų28.335%0.35113%0.131SC..Hα-helixtrans-67.3-43.2172.4-178.1-112.6000111.6I1572 T1576 F1680 S1681 Y1687 M1688I1572-F1684 HydrophobicContact CG2-CE1 4.26Å; T1576-F1684 HydrophobicContact CG2-CD1 3.67Å; T1576-F1684 HydrophobicContact CG2-CE1 3.43Å; T1576-F1684 VanDerWaalsContact CG2-CE1 3.43Å; T1576-F1684 HydrophobicContact CG2-CZ 4.49Å; F1680-F1684 WeakPolarHBondContact O-CB 3.41Å; F1680-F1684 PolarHBondContact O-N 3.31Å; S1681-F1684 PolarHBondContact O-N 3.04Å; F1684-Y1687 HydrophobicContact CD2-CD1 4.15Å; F1684-Y1687 HydrophobicContact CE2-CD1 4.26Å; F1684-Y1687 WeakPolarHBondContact O-CB 3.29Å; F1684-Y1687 PolarHBondContact O-N 2.69Å; F1684-M1688 HydrophobicContact CD1-CG 4.46Å; F1684-M1688 HydrophobicContact CE1-CG 4.1Å; F1684-M1688 HydrophobicContact CE2-CG 4.14Å; F1684-M1688 HydrophobicContact CE2-SD 4.29Å; F1684-M1688 HydrophobicContact CZ-CG 3.92Å; F1684-M1688 HydrophobicContact CZ-SD 4.16Å; F1684-M1688 WeakPolarHBondContact O-CG 3.48Å; F1684-M1688 PolarHBondContact O-N 3.05Å
1685H89.4Confident84.2Confident10 Ų1025.5 Ų25.55%0.04612%0.12CC..Hα-helixtrans-61.6-45.8172.9-175.164.4000111.3T1576 W1619 S1681 L1682 Y1687 M1688 L1689T1576-H1685 WeakPolarHBondContact CB-ND1 3.41Å; T1576-H1685 PolarHBondContact OG1-ND1 3.45Å; W1619-H1685 AromaticContact CD2-CD2 3.6Å; W1619-H1685 AromaticContact CD2-NE2 3.75Å; W1619-H1685 AromaticContact CE2-CD2 3.54Å; W1619-H1685 AromaticContact CE2-NE2 3.17Å; W1619-H1685 AromaticContact CE3-CD2 3.73Å; W1619-H1685 AromaticContact CH2-CD2 3.78Å; W1619-H1685 AromaticContact CH2-NE2 3.73Å; W1619-H1685 AromaticContact CZ2-CD2 3.65Å; W1619-H1685 AromaticContact CZ2-NE2 3.17Å; W1619-H1685 WeakPolarHBondContact CZ2-NE2 3.47Å; W1619-H1685 AromaticContact CZ3-CD2 3.82Å; W1619-H1685 AromaticContact NE1-NE2 3.53Å; S1681-H1685 WeakPolarHBondContact O-CB 3.38Å; S1681-H1685 PolarHBondContact O-N 3.49Å; L1682-H1685 PolarHBondContact O-N 2.88Å; H1685-Y1687 VanDerWaalsContact C-N 3.31Å; H1685-Y1687 PolarHBondContact O-N 2.93Å; H1685-M1688 PolarHBondContact O-N 3.38Å; H1685-L1689 VanDerWaalsContact NE2-CD1 3.32Å; H1685-L1689 WeakPolarHBondContact NE2-CD1 3.33Å; H1685-L1689 WeakPolarHBondContact O-CB 3.33Å; H1685-L1689 WeakPolarHBondContact O-CG 3.31Å; H1685-L1689 PolarHBondContact O-N 3.09Å
1686R88Confident83.3Confident11 Ų1133.2 Ų33.24%0.04215%0.153CC..Hα-helixtrans-57.8-39.4171.7170.5176.3163.1162.4-4.1112.4W1164 I1623 L1682 F1683 R1690 W1695W1164-R1686 VanDerWaalsContact CE3-NH1 3.27Å; W1164-R1686 PolarHBondContact O-NH2 2.88Å; I1623-R1686 HydrophobicContact CD1-CB 4.34Å; L1682-R1686 VanDerWaalsContact O-CB 3.26Å; L1682-R1686 WeakPolarHBondContact O-CB 3.35Å; L1682-R1686 PolarHBondContact O-N 3.28Å; F1683-R1686 PolarHBondContact O-N 2.94Å; R1686-R1690 WeakPolarHBondContact O-CB 3.39Å; R1686-R1690 VanDerWaalsContact O-CG 3.25Å; R1686-R1690 WeakPolarHBondContact O-CG 3.39Å; R1686-R1690 PolarHBondContact O-N 3.21Å; R1686-W1695 HydrophobicContact CB-CE3 4.41Å; R1686-W1695 HydrophobicContact CB-CH2 4.38Å; R1686-W1695 HydrophobicContact CB-CZ3 3.96Å; R1686-W1695 HydrophobicContact CG-CE3 4.22Å; R1686-W1695 HydrophobicContact CG-CH2 4.05Å; R1686-W1695 HydrophobicContact CG-CZ2 4.4Å; R1686-W1695 HydrophobicContact CG-CZ3 3.95Å
1687Y85.1Confident81.9Confident25 Ų2537.5 Ų37.510%0.09818%0.177CC..Hα-helixtrans-65.4-47.8174.1166.4-119.4000111.4N1167 F1683 F1684 H1685 R1690 K1691N1167-Y1687 WeakPolarHBondContact ND2-CE2 3.11Å; F1683-Y1687 WeakPolarHBondContact O-CB 3.07Å; F1683-Y1687 PolarHBondContact O-N 2.92Å; F1684-Y1687 HydrophobicContact CD2-CD1 4.15Å; F1684-Y1687 HydrophobicContact CE2-CD1 4.26Å; F1684-Y1687 WeakPolarHBondContact O-CB 3.29Å; F1684-Y1687 PolarHBondContact O-N 2.69Å; H1685-Y1687 VanDerWaalsContact C-N 3.31Å; H1685-Y1687 PolarHBondContact O-N 2.93Å; Y1687-R1690 PolarHBondContact O-N 3.07Å; Y1687-K1691 HydrophobicContact CE2-CD 4.42Å; Y1687-K1691 WeakPolarHBondContact O-CB 3.48Å; Y1687-K1691 PolarHBondContact O-N 2.83Å
1688M83.9Confident80.3Confident13 Ų1336.7 Ų36.76%0.06418%0.175CC..Hα-helixtrans-64.1-44.3177.8-68.6-60.4-68.300112.4H1494 T1576 F1684 H1685 R1690 K1691 L1692H1494-M1688 WeakPolarHBondContact NE2-CE 3.37Å; T1576-M1688 HydrophobicContact CG2-CG 4.17Å; F1684-M1688 HydrophobicContact CD1-CG 4.46Å; F1684-M1688 HydrophobicContact CE1-CG 4.1Å; F1684-M1688 HydrophobicContact CE2-CG 4.14Å; F1684-M1688 HydrophobicContact CE2-SD 4.29Å; F1684-M1688 HydrophobicContact CZ-CG 3.92Å; F1684-M1688 HydrophobicContact CZ-SD 4.16Å; F1684-M1688 WeakPolarHBondContact O-CG 3.48Å; F1684-M1688 PolarHBondContact O-N 3.05Å; H1685-M1688 PolarHBondContact O-N 3.38Å; M1688-R1690 VanDerWaalsContact C-N 3.28Å; M1688-R1690 PolarHBondContact O-N 3.23Å; M1688-K1691 PolarHBondContact O-N 3.46Å; M1688-K1691 HydrophobicContact SD-CD 4.5Å; M1688-L1692 WeakPolarHBondContact O-CB 3.18Å; M1688-L1692 WeakPolarHBondContact O-CG 3.14Å; M1688-L1692 PolarHBondContact O-N 3.36Å
1689L81.7Confident78.5Confident22 Ų2243.5 Ų43.512%0.11521%0.212CC..Hα-helixtrans-60.3-34.8173-71.8-176.9000112.3H1685 G1693 L1694 W1695H1685-L1689 VanDerWaalsContact NE2-CD1 3.32Å; H1685-L1689 WeakPolarHBondContact NE2-CD1 3.33Å; H1685-L1689 WeakPolarHBondContact O-CB 3.33Å; H1685-L1689 WeakPolarHBondContact O-CG 3.31Å; H1685-L1689 PolarHBondContact O-N 3.09Å; L1689-G1693 CarbonylContact O-C 3.23Å; L1689-G1693 PolarHBondContact O-N 2.72Å; L1689-G1693 VanDerWaalsContact O-N 3.1Å; L1689-L1694 HydrophobicContact CB-CB 4.41Å; L1689-L1694 HydrophobicContact CD2-CB 3.61Å; L1689-L1694 HydrophobicContact CD2-CD1 3.94Å; L1689-L1694 HydrophobicContact CD2-CG 4.43Å; L1689-L1694 PolarHBondContact O-N 3.45Å; L1689-W1695 HydrophobicContact CB-CB 4.21Å; L1689-W1695 HydrophobicContact CB-CE3 4.07Å; L1689-W1695 HydrophobicContact CD1-CE3 3.73Å; L1689-W1695 HydrophobicContact CD1-CZ3 4.08Å; L1689-W1695 PolarHBondContact O-N 2.92Å; L1689-W1695 VanDerWaalsContact O-N 3.13Å
1690R79.9Confident76.8Confident79 Ų7948.3 Ų48.330%0.29824%0.237SC..Hα-helixtrans-73.2-44.7174.5-77.6178.2179.5-166.42.9112R1686 Y1687 M1688 L1692 G1693 W1695R1686-R1690 WeakPolarHBondContact O-CB 3.39Å; R1686-R1690 VanDerWaalsContact O-CG 3.25Å; R1686-R1690 WeakPolarHBondContact O-CG 3.39Å; R1686-R1690 PolarHBondContact O-N 3.21Å; Y1687-R1690 PolarHBondContact O-N 3.07Å; M1688-R1690 VanDerWaalsContact C-N 3.28Å; M1688-R1690 PolarHBondContact O-N 3.23Å; R1690-L1692 VanDerWaalsContact C-N 3.28Å; R1690-L1692 PolarHBondContact O-N 3.42Å; R1690-G1693 PolarHBondContact O-N 2.96Å; R1690-G1693 VanDerWaalsContact O-N 3.12Å; R1690-W1695 HydrophobicContact CG-CB 3.82Å; R1690-W1695 HydrophobicContact CG-CD2 4.43Å; R1690-W1695 HydrophobicContact CG-CG 3.86Å
1691K78.2Confident75.2Confident65 Ų6550.7 Ų50.728%0.28326%0.256SS..Hα-helixtrans-61.1-34.5178.2-176.4173.3-175.8170.20112.9E1294 Y1687 M1688E1294-K1691 WeakPolarHBondContact OE1-CE 3.4Å; Y1687-K1691 HydrophobicContact CE2-CD 4.42Å; Y1687-K1691 WeakPolarHBondContact O-CB 3.48Å; Y1687-K1691 PolarHBondContact O-N 2.83Å; M1688-K1691 PolarHBondContact O-N 3.46Å; M1688-K1691 HydrophobicContact SD-CD 4.5Å
1692L76Confident73.5Confident22 Ų2254.9 Ų54.912%0.11528%0.277CS..THydrogen-bonded Turntrans-92.3-4.9176.1-62.1172.2000113.7G1301 A1302 V1497 L1501 M1688 R1690 L1694G1301-L1692 CarbonylContact C-O 3.6Å; G1301-L1692 WeakPolarHBondContact CA-O 3.22Å; A1302-L1692 PolarHBondContact N-O 2.77Å; V1497-L1692 HydrophobicContact CG1-CD2 3.89Å; L1501-L1692 HydrophobicContact CD1-CD2 4.12Å; M1688-L1692 WeakPolarHBondContact O-CB 3.18Å; M1688-L1692 WeakPolarHBondContact O-CG 3.14Å; M1688-L1692 PolarHBondContact O-N 3.36Å; R1690-L1692 VanDerWaalsContact C-N 3.28Å; R1690-L1692 PolarHBondContact O-N 3.42Å; L1692-L1694 VanDerWaalsContact C-N 3.32Å; L1692-L1694 HydrophobicContact CB-CD1 3.87Å; L1692-L1694 HydrophobicContact CB-CG 4.07Å; L1692-L1694 HydrophobicContact CD1-CD1 4.05Å; L1692-L1694 PolarHBondContact O-N 2.72Å
1693G71.6Confident72.1Confident9 Ų956.1 Ų56.19%0.09329%0.285CS..THydrogen-bonded Turntrans83.1-4.2179.900000117.7A1298 L1689 R1690 W1695A1298-G1693 WeakPolarHBondContact O-CA 3.27Å; A1298-G1693 PolarHBondContact O-N 2.82Å; L1689-G1693 CarbonylContact O-C 3.23Å; L1689-G1693 PolarHBondContact O-N 2.72Å; L1689-G1693 VanDerWaalsContact O-N 3.1Å; R1690-G1693 PolarHBondContact O-N 2.96Å; R1690-G1693 VanDerWaalsContact O-N 3.12Å; G1693-W1695 PolarHBondContact O-N 2.84Å
1694L74.8Confident70.8Confident26 Ų2657.9 Ų57.914%0.13629%0.293CS..THydrogen-bonded Turntrans-70.4-14.2-174-59.5165.4000113.3A1302 R1613 L1689 L1692 K1696A1302-L1694 HydrophobicContact CB-CD2 3.82Å; R1613-L1694 VanDerWaalsContact NH1-CD2 3.35Å; R1613-L1694 PolarHBondContact NH2-O 2.72Å; L1689-L1694 HydrophobicContact CB-CB 4.41Å; L1689-L1694 HydrophobicContact CD2-CB 3.61Å; L1689-L1694 HydrophobicContact CD2-CD1 3.94Å; L1689-L1694 HydrophobicContact CD2-CG 4.43Å; L1689-L1694 PolarHBondContact O-N 3.45Å; L1692-L1694 VanDerWaalsContact C-N 3.32Å; L1692-L1694 HydrophobicContact CB-CD1 3.87Å; L1692-L1694 HydrophobicContact CB-CG 4.07Å; L1692-L1694 HydrophobicContact CD1-CD1 4.05Å; L1692-L1694 PolarHBondContact O-N 2.72Å; L1694-K1696 VanDerWaalsContact C-N 3.34Å; L1694-K1696 PolarHBondContact O-N 3.23Å
1695W76.6Confident69.2Low27 Ų2760.5 Ų60.510%0.10232%0.315CS..THydrogen-bonded Turntrans-70.3-19.2-176.4-173.5-96.5000115.7K1616 W1619 V1620 R1686 L1689 R1690 G1693K1616-W1695 HydrophobicContact CG-CZ2 4.2Å; W1619-W1695 HydrophobicContact CB-CH2 4.17Å; W1619-W1695 HydrophobicContact CB-CZ3 3.97Å; V1620-W1695 HydrophobicContact CG2-CH2 3.88Å; V1620-W1695 HydrophobicContact CG2-CZ2 3.68Å; R1686-W1695 HydrophobicContact CB-CE3 4.41Å; R1686-W1695 HydrophobicContact CB-CH2 4.38Å; R1686-W1695 HydrophobicContact CB-CZ3 3.96Å; R1686-W1695 HydrophobicContact CG-CE3 4.22Å; R1686-W1695 HydrophobicContact CG-CH2 4.05Å; R1686-W1695 HydrophobicContact CG-CZ2 4.4Å; R1686-W1695 HydrophobicContact CG-CZ3 3.95Å; L1689-W1695 HydrophobicContact CB-CB 4.21Å; L1689-W1695 HydrophobicContact CB-CE3 4.07Å; L1689-W1695 HydrophobicContact CD1-CE3 3.73Å; L1689-W1695 HydrophobicContact CD1-CZ3 4.08Å; L1689-W1695 PolarHBondContact O-N 2.92Å; L1689-W1695 VanDerWaalsContact O-N 3.13Å; R1690-W1695 HydrophobicContact CG-CB 3.82Å; R1690-W1695 HydrophobicContact CG-CD2 4.43Å; R1690-W1695 HydrophobicContact CG-CG 3.86Å; G1693-W1695 PolarHBondContact O-N 2.84Å
1696K67.9Low66.8Low163 Ų16368.3 Ų68.371%0.70936%0.356SS*.SBendtrans-112.9148.3167.3-73.3-171.7176.1-172.90108.2R1613 L1694 A1698R1613-K1696 PolarHBondContact NH2-O 2.75Å; L1694-K1696 VanDerWaalsContact C-N 3.34Å; L1694-K1696 PolarHBondContact O-N 3.23Å; K1696-A1698 PolarHBondContact O-N 3.07Å
1697D56.1Low64.1Low107 Ų10776.8 Ų76.857%0.57239%0.394SS*.PPolyproline II helixtrans-72.6116.3175.8-60.7-50000109.4R1613R1613-D1697 IonicContact CZ-OD1 3.65Å; R1613-D1697 IonicContact NH2-OD1 2.69Å; R1613-D1697 PolarHBondContact NH2-OD1 3.37Å
1698A54.1Low61.7Low33 Ų3384 Ų8427%0.27343%0.428SS..PPolyproline II helixtrans-77.2127.3163.700000106.4A1302 K1696 L1700A1302-A1698 HydrophobicContact CB-CB 4.49Å; K1696-A1698 PolarHBondContact O-N 3.07Å; A1698-L1700 PolarHBondContact O-N 3.23Å
1699N53.6Low59.2Low143 Ų14389.8 Ų89.877%0.76546%0.455SS*.PPolyproline II helixtrans-52.8129.4176.9-89.8-6.8000109.7T1701N1699-T1701 PolarHBondContact O-N 3.09Å; N1699-T1701 PolarHBondContact O-OG1 3.29Å
1700L53.5Low56.7Low102 Ų10294.8 Ų94.853%0.53449%0.489SS..  trans-78.345.2-173.7-77142.4000112.5A1698 K1786 F1787A1698-L1700 PolarHBondContact O-N 3.23Å; L1700-K1786 PolarHBondContact O-NZ 2.93Å; L1700-F1787 HydrophobicContact CD2-CE2 4.41Å
1701T54.5Low54.3Low104 Ų104101.4 Ų101.464%0.63851%0.514SS*.  trans-72.1148.3167.251.80000110N1699 T1703N1699-T1701 PolarHBondContact O-N 3.09Å; N1699-T1701 PolarHBondContact O-OG1 3.29Å; T1701-T1703 PolarHBondContact O-N 2.9Å
1702D52.7Low52.3Low101 Ų101103.7 Ų103.754%0.5454%0.538SS..  trans-57.9129.6-175.2-58.7-25.5000111.5K1786D1702-K1786 IonicContact OD1-NZ 3.31Å; D1702-K1786 PolarHBondContact OD1-NZ 3.15Å
1703T60Low50.2Low28 Ų28107 Ų10717%0.17257%0.568CS.*SBendtrans-86.6-15.8-161.210.20000114.6V1303 N1306 Q1307 E1310 T1701V1303-T1703 HydrophobicContact CG1-CG2 4.25Å; N1306-T1703 HydrophobicContact CB-CG2 3.85Å; Q1307-T1703 HydrophobicContact CG-CG2 4.06Å; Q1307-T1703 PolarHBondContact NE2-O 2.71Å; Q1307-T1703 VanDerWaalsContact NE2-O 3.15Å; E1310-T1703 PolarHBondContact OE2-N 2.75Å; E1310-T1703 PolarHBondContact OE2-OG1 3.45Å; T1701-T1703 PolarHBondContact O-N 2.9Å
1704F61.5Low48.4Very low46 Ų46112.6 Ų112.620%0.20261%0.606CS.*SBendtrans-108.8104.6165-60.7-77.2000108Q1307 E1310 L1706Q1307-F1704 HydrophobicContact CB-CE1 4.24Å; Q1307-F1704 HydrophobicContact CB-CE2 4.08Å; Q1307-F1704 HydrophobicContact CB-CZ 3.65Å; Q1307-F1704 HydrophobicContact CG-CE1 4.06Å; Q1307-F1704 HydrophobicContact CG-CE2 4.21Å; Q1307-F1704 HydrophobicContact CG-CZ 3.88Å; Q1307-F1704 WeakPolarHBondContact O-CE2 3.49Å; E1310-F1704 HydrophobicContact CB-CE2 4.28Å; F1704-L1706 PolarHBondContact O-N 2.97Å
1705T53.6Low46.5Very low135 Ų135114.5 Ų114.583%0.82863%0.633SS**  trans-67.8121.9179.248.30000110.8K1707T1705-K1707 PolarHBondContact O-N 2.79Å
1706L39.4Very low44.3Very low173 Ų173118 Ų11891%0.90666%0.661SS**SBendtrans-35.4109.5-179.6-74.6159.9000114.9F1704F1704-L1706 PolarHBondContact O-N 2.97Å
1707K31.8Very low42.6Very low189 Ų189117.1 Ų117.182%0.82266%0.664SS**  trans-172.171.2144.3-110.1172.4-174.8179.20113.5T1705T1705-K1707 PolarHBondContact O-N 2.79Å
1708E35.1Very low41.6Very low177 Ų177119.2 Ų119.283%0.82768%0.681SS**  trans-123.474.5153.7-74.2-172.1162.600108.5
1709E29.7Very low40.5Very low134 Ų134120.6 Ų120.663%0.62670%0.699SS**  trans-68.6135.1161.4-74.2179151.500108.7R1711E1709-R1711 PolarHBondContact O-N 2.93Å
1710P31.1Very low39.3Very low128 Ų128119.7 Ų119.783%0.83170%0.703SS**  trans-72.991.1178.930.5-34.2000109.7S1712P1710-S1712 PolarHBondContact O-N 2.92Å
1711R28.6Very low38.3Very low218 Ų218119.8 Ų119.882%0.82371%0.71SS**  trans-74.693.5177.6-76.2-173.3174.1-173-5.5111.3E1709E1709-R1711 PolarHBondContact O-N 2.93Å
1712S36Very low37Very low112 Ų112123 Ų12378%0.78372%0.715SS**  trans-51.7159155.646.30000111.9P1710P1710-S1712 PolarHBondContact O-N 2.92Å
1713A32.8Very low35.8Very low91 Ų91127.1 Ų127.175%0.75273%0.728SS**SBendtrans-79.3151.8-16700000114.7
1714S33.4Very low34.2Very low127 Ų127132.8 Ų132.889%0.88876%0.756SS**  trans75.4149.7161.379.80000119.1
1715G33.8Very low32.6Very low67 Ų67134.7 Ų134.769%0.69178%0.78SS**  trans111.969.2151.700000118.8
1716S31.6Very low31.4Very low101 Ų101136.9 Ų136.971%0.70678%0.781SS**  trans30.5124.2139.758.90000122.5
1717D33Very low30.8Very low144 Ų144135.8 Ų135.877%0.7777%0.771SS**  84.5137.4128.8-60.6-18.2000123.7
1718T34.1Very low30.5Very low150 Ų150132.6 Ų132.692%0.9277%0.77SS**  trans69.2136.2172740000117
1719G30Very low30Very low63 Ų63131.8 Ų131.865%0.64976%0.764SS**  cis163.6132.8-10.900000113.7
1720S29.7Very low29.9Very low123 Ų123132 Ų13286%0.8677%0.774SS**  trans81.1154.2161.297.60000117.1
1721P32.3Very low29.8Very low104 Ų104130.8 Ų130.868%0.67576%0.764SS**  -147.6-166.7-122.941.8-19.8000117.4
1722K27.6Very low29.6Very low171 Ų171125.9 Ų125.974%0.74376%0.758SS**  trans84.1120.4148.7-78.9171-177.51680121.1
1723K26.6Very low29.3Very low188 Ų188126.4 Ų126.482%0.81776%0.757SS**  trans67.7155.3142.2-53171.3173.6-170.40115
1724I26.8Very low29Very low147 Ų147130.3 Ų130.375%0.75476%0.759SS**  cis-142.5138.118.2-62.4165.8000106.4
1725A28.9Very low28.8Very low86 Ų86129.1 Ų129.171%0.71175%0.751SS**  179.6121.598.800000108
1726Q27.2Very low28.6Very low181 Ų181133.1 Ų133.185%0.84676%0.757SS**  71.512284.7-80.4-177.6-2700114.9
1727E26Very low28.5Very low150 Ų150134.3 Ų134.370%0.70176%0.76SS**  trans-60.8161179.5-46.6169.5146.200113K1729E1727-K1729 VanDerWaalsContact OE2-CE 3.26Å; E1727-K1729 WeakPolarHBondContact OE2-CE 3.21Å; E1727-K1729 WeakPolarHBondContact OE2-CG 3.41Å
1728P26.6Very low28.5Very low123 Ų123134 Ų13480%0.79976%0.758SS**  trans-110.1113.4133.732.2-28.3000110.6V1730P1728-V1730 PolarHBondContact O-N 2.95Å
1729K25.2Very low28.2Very low159 Ų159135.7 Ų135.769%0.69176%0.755SS**  trans-56.4129.8168-69167.3179.1168.60109.7E1727 V1731E1727-K1729 VanDerWaalsContact OE2-CE 3.26Å; E1727-K1729 WeakPolarHBondContact OE2-CE 3.21Å; E1727-K1729 WeakPolarHBondContact OE2-CG 3.41Å; K1729-V1731 HydrophobicContact CB-CG2 4.24Å; K1729-V1731 PolarHBondContact O-N 3.22Å
1730V27.3Very low28.3Very low138 Ų138136 Ų13684%0.83676%0.758SS**  trans-74.384.9166.8-178.40000108.4P1728 V1732P1728-V1730 PolarHBondContact O-N 2.95Å; V1730-V1732 PolarHBondContact O-N 2.97Å
1731V27.5Very low28.3Very low104 Ų104136.8 Ų136.863%0.6376%0.758SS**  trans-69.3122.8172.4179.30000108.6K1729 T1733K1729-V1731 HydrophobicContact CB-CG2 4.24Å; K1729-V1731 PolarHBondContact O-N 3.22Å; V1731-T1733 HydrophobicContact CG1-CG2 4.45Å
1732V25.2Very low28.1Very low114 Ų114137.6 Ų137.669%0.69177%0.766SS**  trans-91.5101.2169.5178.80000107.9V1730V1730-V1732 PolarHBondContact O-N 2.97Å
1733T29.7Very low28.1Very low124 Ų124133.6 Ų133.676%0.76177%0.773SS**  trans-114.7141.6169.3100000110.8V1731V1731-T1733 HydrophobicContact CG1-CG2 4.45Å
1734Q27Very low28.2Very low173 Ų173128.4 Ų128.481%0.80877%0.773SS**  trans-93.3-173-174.3-62.1172.6-95.200111.1
1735S29.9Very low28.1Very low102 Ų102129.6 Ų129.671%0.71378%0.776SS**  trans72.594.316667.80000118.4
1736D28.2Very low28.1Very low151 Ų151133 Ų13381%0.80778%0.78SS**  55145107.6-58.9-20.8000122.8
1737T29.2Very low28.2Very low125 Ų125129.6 Ų129.677%0.76777%0.771SS**  trans80.7120.1154.245.80000122
1738L32.8Very low28.4Very low139 Ų139129.5 Ų129.573%0.72877%0.774SS**  trans67111.5137-73.6154.9000120.7
1739E28.6Very low28.5Very low185 Ų185128.8 Ų128.886%0.86477%0.77SS**  28.8124129-59.8-180165.700119.6
1740G31.1Very low28.7Very low70 Ų70126.5 Ų126.572%0.72277%0.774SS**  trans141.780.1157.100000116.8
1741T30.4Very low28.9Very low139 Ų139127.2 Ų127.285%0.85377%0.773SS**  trans32128.6137.6-29.40000121.7
1742S28.7Very low29.1Very low121 Ų121126.8 Ų126.885%0.84677%0.772SS**  trans89.1137.2153.4800000120.5
1743G27.5Very low29.3Very low86 Ų86129.2 Ų129.289%0.88778%0.781SS**  trans101.799.8158.800000116.8
1744G28.5Very low29.6Very low80 Ų80127.6 Ų127.683%0.82578%0.78SS**  trans15435.416800000117.9
1745E25.1Very low29.8Very low172 Ų172126.1 Ų126.180%0.80478%0.783SS**  trans-70.6137175.8-178.4175.2-165.300111.8V1747E1745-V1747 HydrophobicContact CG-CG2 3.9Å; E1745-V1747 WeakPolarHBondContact OE1-CG2 3.26Å
1746I29.4Very low29.9Very low157 Ų157125.8 Ų125.881%0.80578%0.78SS**  trans-130.899.5163-57.6-179000108.5I1748I1746-I1748 HydrophobicContact CG2-CD1 4.4Å; I1746-I1748 HydrophobicContact CG2-CG1 4.08Å
1747V28.4Very low29.9Very low109 Ų109125.2 Ų125.266%0.66178%0.778SS**  trans-108.9121.9168.4170.80000108.1E1745E1745-V1747 HydrophobicContact CG-CG2 3.9Å; E1745-V1747 WeakPolarHBondContact OE1-CG2 3.26Å
1748I29.7Very low30.1Very low148 Ų148128.1 Ų128.176%0.75979%0.785SS**  trans-152.8152.4163.98.6178.9000108.3I1746I1746-I1748 HydrophobicContact CG2-CD1 4.4Å; I1746-I1748 HydrophobicContact CG2-CG1 4.08Å
1749P29.4Very low30.3Very low108 Ų108130.4 Ų130.470%0.70179%0.791SS**  -128172.9-110.830.1-9.6000115
1750S29.5Very low30.3Very low112 Ų112130.6 Ų130.678%0.78379%0.792SS**  trans-68138.1162.851.70000111.7
1751D30.8Very low30.4Very low153 Ų153135.7 Ų135.782%0.81880%0.802SS**  trans-155.4156.2162.8-119.33.3000110.7
1752P32.1Very low30.5Very low95 Ų95136.8 Ų136.862%0.61780%0.803SS**  -142112.1-119.633.9-11.2000114.6
1753N30.1Very low30.5Very low165 Ų165137.2 Ų137.288%0.88280%0.804SS**  trans-155.9143.4172.2-87.9-58.8000113.5
1754A35.6Very low30.9Very low89 Ų89141.1 Ų141.174%0.73680%0.799SS**  trans62.8108.716800000117.1
1755V30.1Very low31.6Very low143 Ų143142.5 Ų142.587%0.86779%0.794SS**  cis63.9122.224.9-168.50000111.3
1756S32.1Very low32.4Very low94 Ų94140.2 Ų140.266%0.65779%0.794SS**  cis-155.7170.412.451.90000114.5
1757N27.8Very low32.8Very low140 Ų140139.2 Ų139.275%0.74979%0.789SS**  trans108.394.5156.7-58.83.5000117.9
1758M35Very low33.5Very low186 Ų186139.5 Ų139.592%0.91679%0.793SS**  trans-171.9140.8137.1-106.8174.9-69.300110.6
1759E36.5Very low34.3Very low186 Ų186137.9 Ų137.987%0.86978%0.782SS**  trans-67.6119.4-176.4-62.5145.9136.400110.8
1760E27.9Very low35.2Very low189 Ų189141.9 Ų141.988%0.88379%0.789SS**  61.395.684.6-74.8-169.1177.600115.8
1761L34.5Very low36Very low177 Ų177146.2 Ų146.293%0.92780%0.796SS**  trans-148126150.2-150.887.6000109.3
1762D31.4Very low37.3Very low162 Ų162142.6 Ų142.687%0.86678%0.783SS**  trans-65.9129.4-166.8-64.2-61.5000115.2
1763C30Very low39.2Very low130 Ų130140.1 Ų140.188%0.87878%0.775SS**  trans-153.5129.9153.6-930000109.3
1764E35.6Very low41.4Very low168 Ų168137.8 Ų137.879%0.78577%0.769SS**  trans-60152.6-172.2-70.9178.6115.100114.4
1765P43Very low43.3Very low109 Ų109139.6 Ų139.671%0.70877%0.765SS**  trans-59.3144.8167.527.7-35.3000110.4I1767P1765-I1767 PolarHBondContact O-N 3.29Å
1766P41.1Very low45.6Very low124 Ų124134 Ų13481%0.80574%0.736SS**  trans-62.9111.5-179.325.9-33.7000110
1767I37.3Very low47.7Very low137 Ų137135.8 Ų135.870%0.70373%0.728SS**  trans-47.7127.9168.9-60.2165.3000107.2P1765 E1769P1765-I1767 PolarHBondContact O-N 3.29Å; I1767-E1769 PolarHBondContact O-N 2.79Å; I1767-E1769 VanDerWaalsContact O-N 3.08Å
1768P44.1Very low50.1Low115 Ų115131.7 Ų131.775%0.74770%0.704SS**  trans-53.7122.6-177.520.5-32.7000109.6K1770P1768-K1770 PolarHBondContact O-N 3.17Å
1769E47Very low52.3Low114 Ų114126.1 Ų126.153%0.53368%0.677SS.*  trans-49.4100-174.5-86.5-164.2150.900109.4I1767 Q1771 R1777 H1780I1767-E1769 PolarHBondContact O-N 2.79Å; I1767-E1769 VanDerWaalsContact O-N 3.08Å; E1769-Q1771 PolarHBondContact O-N 3.23Å; E1769-Q1771 VanDerWaalsContact O-N 3.16Å; E1769-R1777 IonicContact OE2-CZ 3.81Å; E1769-R1777 IonicContact OE2-NE 3.8Å; E1769-R1777 IonicContact OE2-NH2 2.93Å; E1769-R1777 PolarHBondContact OE2-NH2 3.29Å; E1769-H1780 IonicContact OE1-CE1 2.76Å; E1769-H1780 IonicContact OE1-ND1 3.8Å; E1769-H1780 PolarHBondContact OE1-ND1 3.05Å
1770K48Very low54.3Low192 Ų192121.7 Ų121.784%0.83566%0.656SS**  trans-51.4123.9176-166177.2-168.3174.90106.8P1768 S1772P1768-K1770 PolarHBondContact O-N 3.17Å; K1770-S1772 VanDerWaalsContact C-N 3.28Å; K1770-S1772 WeakPolarHBondContact O-CA 3.47Å; K1770-S1772 WeakPolarHBondContact O-CB 3.34Å; K1770-S1772 PolarHBondContact O-N 3.3Å
1771Q46.5Very low56.7Low202 Ų202118 Ų11894%0.94464%0.639SS**  trans-48.790.4-170.1-77.6-175.5-10.700111.8E1769E1769-Q1771 PolarHBondContact O-N 3.23Å; E1769-Q1771 VanDerWaalsContact O-N 3.16Å
1772S56.9Low58.8Low77 Ų77110.1 Ų110.154%0.53860%0.598SS.*  trans-91.4134.7-174-166.20000106.9K1770 G1776K1770-S1772 VanDerWaalsContact C-N 3.28Å; K1770-S1772 WeakPolarHBondContact O-CA 3.47Å; K1770-S1772 WeakPolarHBondContact O-CB 3.34Å; K1770-S1772 PolarHBondContact O-N 3.3Å; S1772-G1776 WeakPolarHBondContact OG-CA 3.23Å
1773G72.5Confident61Low44 Ų44105.8 Ų105.845%0.45457%0.571SS.*  trans-54.9161.2178.500000111.3I1775 G1776 R1777G1773-I1775 PolarHBondContact O-N 3.5Å; G1773-G1776 WeakPolarHBondContact O-CA 3.48Å; G1773-G1776 PolarHBondContact O-N 3.37Å; G1773-R1777 PolarHBondContact O-N 2.88Å; G1773-R1777 VanDerWaalsContact O-N 3.1Å
1774P76.2Confident62.9Low116 Ų116106 Ų10675%0.75356%0.56SS**Hα-helixtrans-52.8-31-177.420.2-32.8000113.1F1778P1774-F1778 WeakPolarHBondContact O-CB 3.46Å; P1774-F1778 PolarHBondContact O-N 3.39Å
1775I76Confident64.7Low126 Ų12699.4 Ų99.465%0.64653%0.531SS*.Hα-helixtrans-65.5-45.4173.6-59.6169.8000112G1773 F1778 I1779G1773-I1775 PolarHBondContact O-N 3.5Å; I1775-F1778 WeakPolarHBondContact O-CB 3.25Å; I1775-F1778 PolarHBondContact O-N 3.16Å; I1775-I1779 HydrophobicContact CG2-CD1 3.9Å; I1775-I1779 WeakPolarHBondContact O-CG1 3.43Å; I1775-I1779 PolarHBondContact O-N 3.35Å
1776G78.1Confident65.5Low25 Ų25100.2 Ų100.226%0.25852%0.523SS..Hα-helixtrans-68.3-39.1179.800000112.4S1772 G1773 I1779 H1780S1772-G1776 WeakPolarHBondContact OG-CA 3.23Å; G1773-G1776 WeakPolarHBondContact O-CA 3.48Å; G1773-G1776 PolarHBondContact O-N 3.37Å; G1776-I1779 PolarHBondContact O-N 2.95Å; G1776-H1780 WeakPolarHBondContact O-CB 3.41Å; G1776-H1780 PolarHBondContact O-N 3.45Å
1777R76.6Confident66.7Low132 Ų13296.6 Ų96.650%0.49850%0.495SS..Hα-helixtrans-62.8-40.4170.1176169.7-88.3178-5.3112E1769 G1773 H1780 Q1781E1769-R1777 IonicContact OE2-CZ 3.81Å; E1769-R1777 IonicContact OE2-NE 3.8Å; E1769-R1777 IonicContact OE2-NH2 2.93Å; E1769-R1777 PolarHBondContact OE2-NH2 3.29Å; G1773-R1777 PolarHBondContact O-N 2.88Å; G1773-R1777 VanDerWaalsContact O-N 3.1Å; R1777-H1780 PolarHBondContact O-N 3.37Å; R1777-Q1781 HydrophobicContact CG-CG 4.49Å; R1777-Q1781 WeakPolarHBondContact O-CB 3.42Å; R1777-Q1781 VanDerWaalsContact O-CG 3.28Å; R1777-Q1781 WeakPolarHBondContact O-CG 3.45Å; R1777-Q1781 PolarHBondContact O-N 3Å
1778F78Confident68.1Low55 Ų5595 Ų9524%0.24148%0.48CS..Hα-helixtrans-62.9-43.7175175.9-102.1000112.3L1609 P1774 I1775 Q1781 L1782L1609-F1778 HydrophobicContact CB-CE1 4.43Å; L1609-F1778 HydrophobicContact CB-CZ 3.94Å; P1774-F1778 WeakPolarHBondContact O-CB 3.46Å; P1774-F1778 PolarHBondContact O-N 3.39Å; I1775-F1778 WeakPolarHBondContact O-CB 3.25Å; I1775-F1778 PolarHBondContact O-N 3.16Å; F1778-Q1781 PolarHBondContact O-N 3.18Å; F1778-L1782 WeakPolarHBondContact O-CB 3.48Å; F1778-L1782 PolarHBondContact O-N 3.14Å
1779I80.3Confident69.2Low69 Ų6993 Ų9335%0.35446%0.458SS..Hα-helixtrans-65.4-39.8176.6-68.6168.8000111.3I1775 G1776 L1782 F1783I1775-I1779 HydrophobicContact CG2-CD1 3.9Å; I1775-I1779 WeakPolarHBondContact O-CG1 3.43Å; I1775-I1779 PolarHBondContact O-N 3.35Å; G1776-I1779 PolarHBondContact O-N 2.95Å; I1779-L1782 WeakPolarHBondContact O-CB 3.15Å; I1779-L1782 PolarHBondContact O-N 2.98Å; I1779-F1783 HydrophobicContact CG2-CD2 3.73Å; I1779-F1783 HydrophobicContact CG2-CE2 3.38Å; I1779-F1783 HydrophobicContact CG2-CZ 4.32Å; I1779-F1783 WeakPolarHBondContact O-CD2 3.4Å; I1779-F1783 PolarHBondContact O-N 2.76Å; I1779-F1783 VanDerWaalsContact O-N 3.1Å
1780H80.4Confident70.2Confident92 Ų9288.4 Ų88.443%0.42644%0.437SS..Hα-helixtrans-61.8-45.8174.4-171.6-128.5000111.6E1769 G1776 R1777 L1782 F1783 H1784E1769-H1780 IonicContact OE1-CE1 2.76Å; E1769-H1780 IonicContact OE1-ND1 3.8Å; E1769-H1780 PolarHBondContact OE1-ND1 3.05Å; G1776-H1780 WeakPolarHBondContact O-CB 3.41Å; G1776-H1780 PolarHBondContact O-N 3.45Å; R1777-H1780 PolarHBondContact O-N 3.37Å; H1780-L1782 VanDerWaalsContact C-N 3.29Å; H1780-L1782 PolarHBondContact O-N 3.48Å; H1780-F1783 PolarHBondContact O-N 3.45Å; H1780-H1784 AromaticContact CD2-CD2 3.7Å; H1780-H1784 AromaticContact NE2-CD2 3.76Å; H1780-H1784 PolarHBondContact O-N 3.38Å
1781Q77Confident71.3Confident112 Ų11282.9 Ų82.952%0.52341%0.411SS..Hα-helixtrans-65.4-28.2175.3-72.2174-8.600113.6R1777 F1778R1777-Q1781 HydrophobicContact CG-CG 4.49Å; R1777-Q1781 WeakPolarHBondContact O-CB 3.42Å; R1777-Q1781 VanDerWaalsContact O-CG 3.28Å; R1777-Q1781 WeakPolarHBondContact O-CG 3.45Å; R1777-Q1781 PolarHBondContact O-N 3Å; F1778-Q1781 PolarHBondContact O-N 3.18Å
1782L79Confident72.5Confident12 Ų1275.5 Ų75.56%0.06338%0.378CS..Hα-helixtrans-71-43175.3175.962.8000111.9L1609 F1778 I1779 H1780 I1913L1609-L1782 HydrophobicContact CD2-CD1 4.41Å; L1609-L1782 HydrophobicContact CD2-CD2 4.46Å; L1609-L1782 WeakPolarHBondContact O-CD1 3.24Å; F1778-L1782 WeakPolarHBondContact O-CB 3.48Å; F1778-L1782 PolarHBondContact O-N 3.14Å; I1779-L1782 WeakPolarHBondContact O-CB 3.15Å; I1779-L1782 PolarHBondContact O-N 2.98Å; H1780-L1782 VanDerWaalsContact C-N 3.29Å; H1780-L1782 PolarHBondContact O-N 3.48Å; L1782-I1913 HydrophobicContact CD1-CG2 4.39Å; L1782-I1913 HydrophobicContact CD2-CG2 4.35Å
1783F76.8Confident73.7Confident70 Ų7071.9 Ų71.931%0.30735%0.353SS..Hα-helixtrans-80.9-29.7179.7-65-47.5000113.5I1779 H1780 P1785 V1859 V1860I1779-F1783 HydrophobicContact CG2-CD2 3.73Å; I1779-F1783 HydrophobicContact CG2-CE2 3.38Å; I1779-F1783 HydrophobicContact CG2-CZ 4.32Å; I1779-F1783 WeakPolarHBondContact O-CD2 3.4Å; I1779-F1783 PolarHBondContact O-N 2.76Å; I1779-F1783 VanDerWaalsContact O-N 3.1Å; H1780-F1783 PolarHBondContact O-N 3.45Å; F1783-P1785 VanDerWaalsContact C-CD 3.45Å; F1783-P1785 WeakPolarHBondContact O-CD 3.18Å; F1783-V1859 HydrophobicContact CE1-CG1 4.25Å; F1783-V1860 HydrophobicContact CE1-CG2 4.31Å; F1783-V1860 HydrophobicContact CZ-CG2 4.12Å
1784H71.7Confident74.2Confident136 Ų13670.4 Ų70.463%0.6333%0.333SS*.SBendtrans-125.266.9-179.7-57.1-69.5000112.7H1780H1780-H1784 AromaticContact CD2-CD2 3.7Å; H1780-H1784 AromaticContact NE2-CD2 3.76Å; H1780-H1784 PolarHBondContact O-N 3.38Å
1785P71.6Confident74.3Confident28 Ų2866.9 Ų66.918%0.18231%0.311CS..  trans-75.7145178.931.8-36000112.6N1611 F1783 F1787 R1788N1611-P1785 HydrophobicContact CB-CB 4.46Å; N1611-P1785 WeakPolarHBondContact ND2-CB 3.06Å; F1783-P1785 VanDerWaalsContact C-CD 3.45Å; F1783-P1785 WeakPolarHBondContact O-CD 3.18Å; P1785-F1787 PolarHBondContact O-N 2.98Å; P1785-R1788 HydrophobicContact CG-CB 4.19Å
1786K60.6Low74.6Confident127 Ų12764.7 Ų64.755%0.55230%0.299SS*.SBendtrans-59.8-30176.4-169.6-178.6175.7-1710112.6L1700 D1702L1700-K1786 PolarHBondContact O-NZ 2.93Å; D1702-K1786 IonicContact OD1-NZ 3.31Å; D1702-K1786 PolarHBondContact OD1-NZ 3.15Å
1787F65.4Low75.1Confident48 Ų4863.5 Ų63.521%0.21129%0.287CS..SBendtrans-125120.4173-53.6-82.7000109.5E1310 M1313 N1611 L1700 P1785E1310-F1787 HydrophobicContact CG-CE1 4.3Å; M1313-F1787 HydrophobicContact SD-CB 3.91Å; M1313-F1787 HydrophobicContact SD-CD1 3.67Å; M1313-F1787 HydrophobicContact SD-CG 4.26Å; N1611-F1787 PolarHBondContact ND2-O 2.86Å; L1700-F1787 HydrophobicContact CD2-CE2 4.41Å; P1785-F1787 PolarHBondContact O-N 2.98Å
1788R67.9Low75.6Confident102 Ų10260.3 Ų60.339%0.38528%0.277SS..  trans-115.3115.3177.3-172.9175.7171-162.1-12.8109.8P1785 I1790 N1915 Y1917P1785-R1788 HydrophobicContact CG-CB 4.19Å; R1788-I1790 HydrophobicContact CG-CG1 4.14Å; R1788-N1915 PolarHBondContact NE-O 2.82Å; R1788-Y1917 PolarHBondContact NH2-O 3.48Å; R1788-Y1917 VanDerWaalsContact NH2-O 3.14Å
1789Y67.2Low75.9Confident74 Ų7459.1 Ų59.129%0.2928%0.28SS..  trans-95.9118.9173.5-176.3-83.9000108.3Q1316 R1791 N1915Q1316-Y1789 VanDerWaalsContact NE2-CZ 3.29Å; Y1789-R1791 HydrophobicContact CD1-CB 4.3Å; Y1789-R1791 HydrophobicContact CE1-CB 4.03Å; Y1789-N1915 VanDerWaalsContact O-CA 3.25Å; Y1789-N1915 WeakPolarHBondContact O-CA 3.41Å; Y1789-N1915 WeakPolarHBondContact O-CB 3.49Å
1790I68.5Low76.4Confident17 Ų1757 Ų579%0.08727%0.269CS..  trans-98.9127.9-173.6-62.2167.1000109.6Q1320 R1788 P1918Q1320-I1790 VanDerWaalsContact OE1-CD1 3.23Å; R1788-I1790 HydrophobicContact CG-CG1 4.14Å; I1790-P1918 HydrophobicContact CG2-CB 4.18Å
1791R69.6Low76.9Confident76 Ų7652.7 Ų52.729%0.28725%0.249SC..  trans-150.7142.4179.1-174.8170.8176.6157.8-2.2109.8V1385 Y1789 L1793 Q1912V1385-R1791 HydrophobicContact CG2-CG 4.19Å; Y1789-R1791 HydrophobicContact CD1-CB 4.3Å; Y1789-R1791 HydrophobicContact CE1-CB 4.03Å; R1791-L1793 HydrophobicContact CG-CD2 4.08Å; R1791-L1793 HydrophobicContact CG-CG 4.26Å; R1791-Q1912 PolarHBondContact O-NE2 2.77Å; R1791-Q1912 PolarHBondContact O-OE1 2.86Å; R1791-Q1912 VanDerWaalsContact O-OE1 3.09Å
1792D73.5Confident77.3Confident48 Ų4849.6 Ų49.626%0.25724%0.238SC..  trans-94.5127.6166.7-177.626.8000110.5Y1794 P1918D1792-Y1794 VanDerWaalsContact OD1-CB 3.31Å; D1792-Y1794 WeakPolarHBondContact OD1-CB 3.49Å; D1792-Y1794 PolarHBondContact OD1-N 3.42Å; D1792-P1918 HydrophobicContact CB-CG 4.28Å
1793L80.7Confident77.8Confident1 Ų153 Ų531%0.00526%0.256CS..  trans-1211.1177.2-57.7165.4000111.6R1791 I1796 M1797 V1908 W1911 Q1912R1791-L1793 HydrophobicContact CG-CD2 4.08Å; R1791-L1793 HydrophobicContact CG-CG 4.26Å; L1793-I1796 HydrophobicContact CD2-CD1 4.04Å; L1793-I1796 WeakPolarHBondContact O-CB 3.29Å; L1793-I1796 PolarHBondContact O-N 2.91Å; L1793-M1797 WeakPolarHBondContact O-CG 3.44Å; L1793-M1797 PolarHBondContact O-N 2.93Å; L1793-V1908 HydrophobicContact CB-CG1 3.78Å; L1793-V1908 HydrophobicContact CD1-CG1 4.17Å; L1793-V1908 HydrophobicContact CG-CG1 4.43Å; L1793-W1911 HydrophobicContact CD1-CB 3.95Å; L1793-W1911 HydrophobicContact CD1-CD2 3.52Å; L1793-W1911 HydrophobicContact CD1-CE3 3.5Å; L1793-W1911 HydrophobicContact CD1-CG 3.72Å; L1793-W1911 HydrophobicContact CD1-CZ3 4.21Å; L1793-W1911 HydrophobicContact CD2-CE3 3.96Å; L1793-W1911 HydrophobicContact CD2-CH2 4.25Å; L1793-W1911 HydrophobicContact CD2-CZ3 3.81Å; L1793-W1911 HydrophobicContact CG-CE3 4.41Å; L1793-Q1912 HydrophobicContact CD1-CB 4.24Å; L1793-Q1912 VanDerWaalsContact CG-OE1 3.3Å
1794Y84.2Confident78.4Confident12 Ų1249.7 Ų49.75%0.04724%0.241CC..Hα-helixtrans-55.4-42-176.5-179.5-90.3000113.8D1792 I1796 M1797 F1798 R1851 Y1854D1792-Y1794 VanDerWaalsContact OD1-CB 3.31Å; D1792-Y1794 WeakPolarHBondContact OD1-CB 3.49Å; D1792-Y1794 PolarHBondContact OD1-N 3.42Å; Y1794-I1796 PolarHBondContact O-N 3.33Å; Y1794-M1797 WeakPolarHBondContact O-CB 3.49Å; Y1794-M1797 PolarHBondContact O-N 3.3Å; Y1794-M1797 VanDerWaalsContact O-N 3.12Å; Y1794-F1798 HydrophobicContact CE1-CB 4.16Å; Y1794-F1798 PolarHBondContact O-N 3.01Å; Y1794-R1851 WeakPolarHBondContact OH-CA 3.3Å; Y1794-R1851 WeakPolarHBondContact OH-CB 3.43Å; Y1794-R1851 WeakPolarHBondContact OH-CD 3.41Å; Y1794-Y1854 VanDerWaalsContact CB-CD2 3.43Å; Y1794-Y1854 VanDerWaalsContact CB-CE2 3.43Å; Y1794-Y1854 HydrophobicContact CD1-CD1 4.07Å; Y1794-Y1854 HydrophobicContact CD1-CD2 4.24Å; Y1794-Y1854 HydrophobicContact CD1-CE1 4.19Å; Y1794-Y1854 HydrophobicContact CD1-CE2 4.34Å; Y1794-Y1854 HydrophobicContact CD1-CG 4.1Å; Y1794-Y1854 HydrophobicContact CD2-CD1 4.26Å; Y1794-Y1854 AromaticContact CD2-CD2 3.64Å; Y1794-Y1854 HydrophobicContact CD2-CD2 3.64Å; Y1794-Y1854 HydrophobicContact CD2-CE2 4.43Å; Y1794-Y1854 AromaticContact CD2-CG 3.53Å; Y1794-Y1854 HydrophobicContact CD2-CG 3.53Å; Y1794-Y1854 HydrophobicContact CE1-CD1 4.36Å; Y1794-Y1854 HydrophobicContact CE2-CG 4.01Å; Y1794-Y1854 HydrophobicContact CG-CD1 4.05Å; Y1794-Y1854 AromaticContact CG-CD2 3.46Å; Y1794-Y1854 HydrophobicContact CG-CD2 3.46Å; Y1794-Y1854 VanDerWaalsContact CG-CD2 3.46Å; Y1794-Y1854 HydrophobicContact CG-CE1 4.36Å; Y1794-Y1854 AromaticContact CG-CE2 3.8Å; Y1794-Y1854 HydrophobicContact CG-CE2 3.8Å; Y1794-Y1854 AromaticContact CG-CG 3.6Å; Y1794-Y1854 HydrophobicContact CG-CG 3.6Å
1795P77.3Confident79.1Confident42 Ų4246.7 Ų46.727%0.27323%0.226SC..Hα-helixtrans-60-33.4175.7-26.136.2000113.8G1799 L1925P1795-G1799 PolarHBondContact O-N 3.47Å; P1795-L1925 HydrophobicContact CB-CB 4.04Å; P1795-L1925 HydrophobicContact CB-CD2 3.7Å; P1795-L1925 HydrophobicContact CB-CG 4.39Å; P1795-L1925 HydrophobicContact CG-CB 4.19Å
1796I83.4Confident79.8Confident80 Ų8049 Ų4941%0.4124%0.237SC..Hα-helixtrans-71.4-42.9176.2-59.9173.6000109.6L1793 Y1794 G1799 I1800 V1908L1793-I1796 HydrophobicContact CD2-CD1 4.04Å; L1793-I1796 WeakPolarHBondContact O-CB 3.29Å; L1793-I1796 PolarHBondContact O-N 2.91Å; Y1794-I1796 PolarHBondContact O-N 3.33Å; I1796-G1799 PolarHBondContact O-N 3.27Å; I1796-I1800 HydrophobicContact CG2-CD1 3.96Å; I1796-I1800 VanDerWaalsContact O-CG1 3.28Å; I1796-I1800 WeakPolarHBondContact O-CG1 3.18Å; I1796-I1800 PolarHBondContact O-N 3.43Å; I1796-V1908 HydrophobicContact CB-CG1 4.49Å; I1796-V1908 HydrophobicContact CG2-CG1 4.23Å; I1796-V1908 HydrophobicContact CG2-CG2 4.41Å
1797M88.3Confident81.1Confident0 Ų044.7 Ų44.70%022%0.219CC..Hα-helixtrans-61.1-47.4177.4-65.4170.45500111.8L1793 Y1794 G1799 I1800 D1801 K1862 Y1905 V1908 Q1912L1793-M1797 WeakPolarHBondContact O-CG 3.44Å; L1793-M1797 PolarHBondContact O-N 2.93Å; Y1794-M1797 WeakPolarHBondContact O-CB 3.49Å; Y1794-M1797 PolarHBondContact O-N 3.3Å; Y1794-M1797 VanDerWaalsContact O-N 3.12Å; M1797-G1799 PolarHBondContact O-N 3.49Å; M1797-I1800 PolarHBondContact O-N 3.25Å; M1797-D1801 PolarHBondContact O-N 3.4Å; M1797-K1862 VanDerWaalsContact CE-NZ 3.35Å; M1797-Y1905 HydrophobicContact CB-CD2 4.14Å; M1797-Y1905 HydrophobicContact CB-CE2 3.91Å; M1797-Y1905 HydrophobicContact CE-CE2 4Å; M1797-V1908 HydrophobicContact CG-CB 4.23Å; M1797-V1908 HydrophobicContact CG-CG1 3.56Å; M1797-V1908 HydrophobicContact SD-CG1 4.35Å; M1797-Q1912 HydrophobicContact SD-CB 4.09Å; M1797-Q1912 HydrophobicContact SD-CG 4.34Å
1798F86.9Confident81.9Confident66 Ų6642.4 Ų42.429%0.28921%0.209SC..Hα-helixtrans-61.1-42.8174.5178.2-103.7000112Y1794 I1800 D1801 V1802 I1847Y1794-F1798 HydrophobicContact CE1-CB 4.16Å; Y1794-F1798 PolarHBondContact O-N 3.01Å; F1798-I1800 VanDerWaalsContact C-N 3.33Å; F1798-I1800 PolarHBondContact O-N 2.96Å; F1798-D1801 PolarHBondContact O-N 3.31Å; F1798-V1802 HydrophobicContact CD1-CG2 4.2Å; F1798-V1802 HydrophobicContact CE1-CG2 3.74Å; F1798-V1802 HydrophobicContact CE2-CG2 4.07Å; F1798-V1802 HydrophobicContact CZ-CG2 3.66Å; F1798-V1802 WeakPolarHBondContact O-CG2 3.3Å; F1798-V1802 PolarHBondContact O-N 3.47Å; F1798-I1847 HydrophobicContact CD2-CG2 4.14Å; F1798-I1847 HydrophobicContact CE2-CG2 3.92Å
1799G84.5Confident82.4Confident30 Ų3040.5 Ų40.531%0.30921%0.209SC..Hα-helixtrans-59.1-41175.100000113.1P1795 I1796 M1797 V1802 I1803P1795-G1799 PolarHBondContact O-N 3.47Å; I1796-G1799 PolarHBondContact O-N 3.27Å; M1797-G1799 PolarHBondContact O-N 3.49Å; G1799-V1802 PolarHBondContact O-N 2.96Å; G1799-I1803 VanDerWaalsContact O-CG1 3.31Å; G1799-I1803 WeakPolarHBondContact O-CG1 3.37Å; G1799-I1803 PolarHBondContact O-N 2.93Å; G1799-I1803 VanDerWaalsContact O-N 3.08Å
1800I91.2Very high83.1Confident23 Ų2344.8 Ų44.812%0.11823%0.229CC..Hα-helixtrans-66.3-38.1175.7-64.9165.4000111.2I1796 M1797 F1798 I1803 C1804 I1901 V1908I1796-I1800 HydrophobicContact CG2-CD1 3.96Å; I1796-I1800 VanDerWaalsContact O-CG1 3.28Å; I1796-I1800 WeakPolarHBondContact O-CG1 3.18Å; I1796-I1800 PolarHBondContact O-N 3.43Å; M1797-I1800 PolarHBondContact O-N 3.25Å; F1798-I1800 VanDerWaalsContact C-N 3.33Å; F1798-I1800 PolarHBondContact O-N 2.96Å; I1800-I1803 WeakPolarHBondContact O-CB 3.4Å; I1800-I1803 PolarHBondContact O-N 3.19Å; I1800-C1804 PolarHBondContact O-N 3.18Å; I1800-C1804 PolarHBondContact O-SG 3.42Å; I1800-I1901 HydrophobicContact CG2-CG2 3.61Å; I1800-I1901 VanDerWaalsContact CG2-O 3.31Å; I1800-I1901 WeakPolarHBondContact CG2-O 3.3Å; I1800-V1908 HydrophobicContact CD1-CG2 4.03Å
1801D90Very high83.4Confident2 Ų244.3 Ų44.31%0.01123%0.229CC..Hα-helixtrans-72.6-32.9177.5-86.9-9.4000113.6M1797 F1798 I1803 C1804 F1805 I1847 K1902 Y1905M1797-D1801 PolarHBondContact O-N 3.4Å; F1798-D1801 PolarHBondContact O-N 3.31Å; D1801-I1803 VanDerWaalsContact C-N 3.32Å; D1801-C1804 WeakPolarHBondContact O-CB 3.29Å; D1801-C1804 PolarHBondContact O-N 2.9Å; D1801-F1805 WeakPolarHBondContact O-CB 3.47Å; D1801-F1805 PolarHBondContact O-N 2.91Å; D1801-I1847 HydrophobicContact CB-CD1 4.14Å; D1801-I1847 HydrophobicContact CB-CG1 3.9Å; D1801-K1902 IonicContact OD1-NZ 2.78Å; D1801-K1902 PolarHBondContact OD1-NZ 3.23Å; D1801-K1902 IonicContact OD2-NZ 3.05Å; D1801-K1902 PolarHBondContact OD2-NZ 3.47Å; D1801-Y1905 VanDerWaalsContact OD2-CE2 3.22Å; D1801-Y1905 WeakPolarHBondContact OD2-CE2 3.38Å
1802V85.4Confident83.7Confident48 Ų4842.2 Ų42.229%0.29122%0.222SC..Hα-helixtrans-63.5-38.6168.2172.20000110.9F1798 G1799 F1805 L1806F1798-V1802 HydrophobicContact CD1-CG2 4.2Å; F1798-V1802 HydrophobicContact CE1-CG2 3.74Å; F1798-V1802 HydrophobicContact CE2-CG2 4.07Å; F1798-V1802 HydrophobicContact CZ-CG2 3.66Å; F1798-V1802 WeakPolarHBondContact O-CG2 3.3Å; F1798-V1802 PolarHBondContact O-N 3.47Å; G1799-V1802 PolarHBondContact O-N 2.96Å; V1802-F1805 WeakPolarHBondContact O-CB 3.35Å; V1802-F1805 PolarHBondContact O-N 3.32Å; V1802-L1806 HydrophobicContact CG1-CD1 4.37Å; V1802-L1806 WeakPolarHBondContact O-CG 3.12Å; V1802-L1806 PolarHBondContact O-N 2.91Å
1803I88.6Confident83.7Confident83 Ų8341.8 Ų41.843%0.42622%0.222SC..Hα-helixtrans-64.7-42.3173.2-67164000110.7G1799 I1800 D1801 F1805 L1806 I1807 I1901G1799-I1803 VanDerWaalsContact O-CG1 3.31Å; G1799-I1803 WeakPolarHBondContact O-CG1 3.37Å; G1799-I1803 PolarHBondContact O-N 2.93Å; G1799-I1803 VanDerWaalsContact O-N 3.08Å; I1800-I1803 WeakPolarHBondContact O-CB 3.4Å; I1800-I1803 PolarHBondContact O-N 3.19Å; D1801-I1803 VanDerWaalsContact C-N 3.32Å; I1803-F1805 VanDerWaalsContact C-N 3.32Å; I1803-F1805 PolarHBondContact O-N 2.86Å; I1803-L1806 PolarHBondContact O-N 3.38Å; I1803-I1807 HydrophobicContact CG2-CD1 3.83Å; I1803-I1807 HydrophobicContact CG2-CG1 4.46Å; I1803-I1807 WeakPolarHBondContact O-CG1 3.32Å; I1803-I1807 PolarHBondContact O-N 2.85Å; I1803-I1901 HydrophobicContact CG2-CD1 4.15Å; I1803-I1901 HydrophobicContact CG2-CG2 4.13Å
1804C89.8Confident83.4Confident1 Ų142.3 Ų42.31%0.00723%0.227CC..Hα-helixtrans-59.2-42.6172.9-63.80000111.8I1800 D1801 I1807 M1808 M1843I1800-C1804 PolarHBondContact O-N 3.18Å; I1800-C1804 PolarHBondContact O-SG 3.42Å; D1801-C1804 WeakPolarHBondContact O-CB 3.29Å; D1801-C1804 PolarHBondContact O-N 2.9Å; C1804-I1807 PolarHBondContact O-N 3.5Å; C1804-M1808 WeakPolarHBondContact O-CG 3.39Å; C1804-M1808 PolarHBondContact O-N 2.68Å; C1804-M1843 HydrophobicContact CB-CE 3.63Å
1805F87.3Confident83Confident73 Ų7341.8 Ų41.832%0.3223%0.225SC..Hα-helixtrans-59.6-46.4176.6-172.8-90.4000112.2D1801 V1802 I1803 M1808 T1809 L1840 T1844D1801-F1805 WeakPolarHBondContact O-CB 3.47Å; D1801-F1805 PolarHBondContact O-N 2.91Å; V1802-F1805 WeakPolarHBondContact O-CB 3.35Å; V1802-F1805 PolarHBondContact O-N 3.32Å; I1803-F1805 VanDerWaalsContact C-N 3.32Å; I1803-F1805 PolarHBondContact O-N 2.86Å; F1805-M1808 PolarHBondContact O-N 2.92Å; F1805-T1809 WeakPolarHBondContact O-CB 3.44Å; F1805-T1809 PolarHBondContact O-N 3.14Å; F1805-T1809 VanDerWaalsContact O-N 3.08Å; F1805-T1809 PolarHBondContact O-OG1 2.77Å; F1805-L1840 HydrophobicContact CD2-CD2 4.15Å; F1805-L1840 HydrophobicContact CE2-CD2 3.82Å; F1805-L1840 HydrophobicContact CZ-CD2 4.27Å; F1805-T1844 HydrophobicContact CD2-CG2 4.41Å; F1805-T1844 HydrophobicContact CE2-CG2 3.82Å
1806L85.8Confident82.5Confident77 Ų7740.4 Ų40.440%0.40322%0.218SC..Hα-helixtrans-64.4-40.1176.3-70172.6000112.2V1802 I1803 T1809 F1810V1802-L1806 HydrophobicContact CG1-CD1 4.37Å; V1802-L1806 WeakPolarHBondContact O-CG 3.12Å; V1802-L1806 PolarHBondContact O-N 2.91Å; I1803-L1806 PolarHBondContact O-N 3.38Å; L1806-T1809 PolarHBondContact O-N 2.97Å; L1806-F1810 HydrophobicContact CB-CD2 4.27Å; L1806-F1810 HydrophobicContact CB-CE2 4.13Å; L1806-F1810 HydrophobicContact CD2-CE2 4.12Å; L1806-F1810 WeakPolarHBondContact O-CD2 3.32Å; L1806-F1810 PolarHBondContact O-N 2.98Å
1807I86.9Confident81.6Confident35 Ų3544 Ų4418%0.17923%0.233CC..Hα-helixtrans-64.5-41.4178.6-72.8170.3000111.9I1803 C1804 T1809 G1811 V1894 A1897 I1901I1803-I1807 HydrophobicContact CG2-CD1 3.83Å; I1803-I1807 HydrophobicContact CG2-CG1 4.46Å; I1803-I1807 WeakPolarHBondContact O-CG1 3.32Å; I1803-I1807 PolarHBondContact O-N 2.85Å; C1804-I1807 PolarHBondContact O-N 3.5Å; I1807-T1809 VanDerWaalsContact C-N 3.35Å; I1807-G1811 WeakPolarHBondContact O-CA 3.44Å; I1807-G1811 PolarHBondContact O-N 2.86Å; I1807-V1894 HydrophobicContact CG2-CG1 4.03Å; I1807-A1897 HydrophobicContact CG2-CB 4.48Å; I1807-I1901 HydrophobicContact CD1-CD1 3.26Å
1808M83.1Confident80.2Confident0 Ų046.3 Ų46.30%026%0.258CS..Hα-helixtrans-64.6-41.8173.6-64.8179.3-6700111.7C1804 F1805 G1811 Y1812 F1815 L1836 M1839 L1840 M1843 L1898C1804-M1808 WeakPolarHBondContact O-CG 3.39Å; C1804-M1808 PolarHBondContact O-N 2.68Å; F1805-M1808 PolarHBondContact O-N 2.92Å; M1808-G1811 CarbonylContact O-C 3.2Å; M1808-G1811 PolarHBondContact O-N 3.41Å; M1808-Y1812 PolarHBondContact O-N 3.4Å; M1808-F1815 HydrophobicContact CB-CE2 4.47Å; M1808-F1815 HydrophobicContact CG-CE2 4.49Å; M1808-F1815 HydrophobicContact CG-CZ 4.47Å; M1808-L1836 HydrophobicContact CB-CD1 4.27Å; M1808-L1836 WeakPolarHBondContact O-CD1 3.32Å; M1808-M1839 HydrophobicContact CG-CE 4.33Å; M1808-M1839 HydrophobicContact SD-CB 3.96Å; M1808-M1839 HydrophobicContact SD-CE 3.99Å; M1808-L1840 HydrophobicContact CB-CD2 4.11Å; M1808-L1840 HydrophobicContact CE-CD2 4.15Å; M1808-M1843 HydrophobicContact CE-CB 3.57Å; M1808-M1843 HydrophobicContact CE-CE 4.34Å; M1808-M1843 HydrophobicContact CE-CG 3.49Å; M1808-M1843 VanDerWaalsContact CE-CG 3.49Å; M1808-M1843 HydrophobicContact SD-CB 4.5Å; M1808-M1843 HydrophobicContact SD-CG 3.94Å; M1808-L1898 HydrophobicContact CG-CD1 3.48Å; M1808-L1898 VanDerWaalsContact CG-CD1 3.48Å; M1808-L1898 HydrophobicContact SD-CD1 3.93Å
1809T79.3Confident78.7Confident62 Ų6244.7 Ų44.738%0.3826%0.259SS..Hα-helixtrans-65.5-46.6-177.9-54.10000111.8F1805 L1806 I1807F1805-T1809 WeakPolarHBondContact O-CB 3.44Å; F1805-T1809 PolarHBondContact O-N 3.14Å; F1805-T1809 VanDerWaalsContact O-N 3.08Å; F1805-T1809 PolarHBondContact O-OG1 2.77Å; L1806-T1809 PolarHBondContact O-N 2.97Å; I1807-T1809 VanDerWaalsContact C-N 3.35Å
1810F80.9Confident77.4Confident164 Ų16446.8 Ų46.872%0.71927%0.269SS*.Hα-helixtrans-73.7-30.5176.1-66.4-54000112.8L1806 Y1812L1806-F1810 HydrophobicContact CB-CD2 4.27Å; L1806-F1810 HydrophobicContact CB-CE2 4.13Å; L1806-F1810 HydrophobicContact CD2-CE2 4.12Å; L1806-F1810 WeakPolarHBondContact O-CD2 3.32Å; L1806-F1810 PolarHBondContact O-N 2.98Å; F1810-Y1812 VanDerWaalsContact C-N 3.31Å; F1810-Y1812 PolarHBondContact O-N 2.9Å
1811G75Confident76Confident8 Ų847.8 Ų47.88%0.08229%0.285CS..THydrogen-bonded Turntrans-87.517.1-178.700000115.5I1807 M1808 S1813 A1814 F1815I1807-G1811 WeakPolarHBondContact O-CA 3.44Å; I1807-G1811 PolarHBondContact O-N 2.86Å; M1808-G1811 CarbonylContact O-C 3.2Å; M1808-G1811 PolarHBondContact O-N 3.41Å; G1811-S1813 PolarHBondContact O-N 3.17Å; G1811-S1813 VanDerWaalsContact O-N 3.12Å; G1811-A1814 WeakPolarHBondContact O-CB 3.34Å; G1811-A1814 PolarHBondContact O-N 3.37Å; G1811-F1815 WeakPolarHBondContact O-CD2 3.34Å
1812Y75.5Confident74.7Confident32 Ų3251.6 Ų51.613%0.12531%0.305CS..G310 helixtrans-51.3-38.3-172.177.6-79.3000114.1M1808 F1810 A1814 F1815 G1821 N1822 V1823 D1826M1808-Y1812 PolarHBondContact O-N 3.4Å; F1810-Y1812 VanDerWaalsContact C-N 3.31Å; F1810-Y1812 PolarHBondContact O-N 2.9Å; Y1812-A1814 PolarHBondContact O-N 3.41Å; Y1812-F1815 PolarHBondContact O-N 2.75Å; Y1812-G1821 PolarHBondContact OH-O 3.48Å; Y1812-N1822 VanDerWaalsContact OH-C 3.26Å; Y1812-N1822 PolarHBondContact OH-N 2.78Å; Y1812-V1823 HydrophobicContact CD1-CG2 4.48Å; Y1812-V1823 HydrophobicContact CE1-CG2 3.58Å; Y1812-V1823 WeakPolarHBondContact OH-CA 3.32Å; Y1812-V1823 PolarHBondContact OH-N 3.23Å; Y1812-D1826 HydrophobicContact CE2-CB 4.07Å; Y1812-D1826 WeakPolarHBondContact CE2-OD2 3.39Å
1813S73.2Confident73.6Confident38 Ų3853.3 Ų53.327%0.26632%0.316SS..G310 helixtrans-68.8-15.7179.960.70000114.5G1811G1811-S1813 PolarHBondContact O-N 3.17Å; G1811-S1813 VanDerWaalsContact O-N 3.12Å
1814A74.9Confident72.3Confident13 Ų1353.9 Ų53.911%0.10732%0.319CS..G310 helixtrans-89.8-12.4-178.700000114.1G1811 Y1812 N1892 V1894G1811-A1814 WeakPolarHBondContact O-CB 3.34Å; G1811-A1814 PolarHBondContact O-N 3.37Å; Y1812-A1814 PolarHBondContact O-N 3.41Å; A1814-N1892 PolarHBondContact O-ND2 2.93Å; A1814-V1894 HydrophobicContact CB-CB 3.76Å; A1814-V1894 HydrophobicContact CB-CG1 4.48Å; A1814-V1894 HydrophobicContact CB-CG2 3.49Å; A1814-V1894 VanDerWaalsContact CB-CG2 3.49Å
1815F75.5Confident71Confident1 Ų156.8 Ų56.80%0.00434%0.335CS..SBendtrans-97.6-11.5-179.2-64-72.2000113.9M1808 G1811 Y1812 T1835 L1836 M1839 L1881 T1885 V1894 L1898M1808-F1815 HydrophobicContact CB-CE2 4.47Å; M1808-F1815 HydrophobicContact CG-CE2 4.49Å; M1808-F1815 HydrophobicContact CG-CZ 4.47Å; G1811-F1815 WeakPolarHBondContact O-CD2 3.34Å; Y1812-F1815 PolarHBondContact O-N 2.75Å; F1815-T1835 PolarHBondContact O-OG1 3.49Å; F1815-L1836 HydrophobicContact CB-CB 4.49Å; F1815-L1836 HydrophobicContact CD2-CD1 4.07Å; F1815-M1839 HydrophobicContact CD1-CE 4.11Å; F1815-M1839 HydrophobicContact CD1-SD 3.8Å; F1815-M1839 HydrophobicContact CE1-CE 3.55Å; F1815-M1839 HydrophobicContact CE1-SD 3.88Å; F1815-M1839 HydrophobicContact CG-SD 4.48Å; F1815-M1839 HydrophobicContact CZ-CE 3.91Å; F1815-L1881 HydrophobicContact CD1-CD1 4.15Å; F1815-L1881 HydrophobicContact CD1-CD2 4.27Å; F1815-L1881 HydrophobicContact CE1-CD2 4.34Å; F1815-T1885 WeakPolarHBondContact O-CG2 3.37Å; F1815-V1894 HydrophobicContact CE2-CG1 3.54Å; F1815-V1894 HydrophobicContact CZ-CB 4.42Å; F1815-V1894 HydrophobicContact CZ-CG1 3.57Å; F1815-L1898 HydrophobicContact CZ-CD1 4.17Å
1816G67.1Low70Confident13 Ų1353.9 Ų53.913%0.13432%0.323CS..SBendtrans-117.3174.117900000113.9G1818G1816-G1818 PolarHBondContact O-N 2.83Å
1817E63.7Low68.9Low154 Ų15454.7 Ų54.772%0.7233%0.33SS*.SBendtrans-80.1112.3173.7-62.4-174.6153.800110.3
1818G58.8Low67.7Low50 Ų5057.8 Ų57.852%0.51534%0.342SS..SBendtrans7431.6161.900000117.9G1816G1816-G1818 PolarHBondContact O-N 2.83Å
1819G55.9Low66.9Low31 Ų3159.9 Ų59.932%0.3236%0.36SS..  trans-64137.1171.800000112.6G1821 D1826G1819-G1821 PolarHBondContact O-N 3.26Å; G1819-D1826 WeakPolarHBondContact CA-OD2 3.17Å
1820S58.7Low66.2Low75 Ų7561.9 Ų61.952%0.52438%0.377SS..  trans-71.5-14.5-175.764.20000113.8N1822 D1826S1820-N1822 PolarHBondContact O-N 2.78Å; S1820-N1822 PolarHBondContact OG-N 3.44Å; S1820-N1822 VanDerWaalsContact OG-N 3.11Å; S1820-N1822 PolarHBondContact OG-O 2.77Å; S1820-D1826 WeakPolarHBondContact CB-OD1 3.43Å; S1820-D1826 PolarHBondContact N-OD1 3.47Å; S1820-D1826 PolarHBondContact N-OD2 2.99Å; S1820-D1826 VanDerWaalsContact N-OD2 3.15Å; S1820-D1826 PolarHBondContact OG-OD1 3.16Å
1821G60.1Low65.4Low44 Ų4461.8 Ų61.845%0.45437%0.371SS..SBendtrans81.4-18.9-167.600000113Y1812 G1819 V1823Y1812-G1821 PolarHBondContact OH-O 3.48Å; G1819-G1821 PolarHBondContact O-N 3.26Å; G1821-V1823 PolarHBondContact O-N 2.88Å
1822N63.7Low65Low81 Ų8166.7 Ų66.743%0.43340%0.395SS..  trans-89.9106.2176.1-165.710.3000110.6Y1812 S1820 L1824 D1825 D1826Y1812-N1822 VanDerWaalsContact OH-C 3.26Å; Y1812-N1822 PolarHBondContact OH-N 2.78Å; S1820-N1822 PolarHBondContact O-N 2.78Å; S1820-N1822 PolarHBondContact OG-N 3.44Å; S1820-N1822 VanDerWaalsContact OG-N 3.11Å; S1820-N1822 PolarHBondContact OG-O 2.77Å; N1822-L1824 PolarHBondContact O-N 3.39Å; N1822-D1825 HydrophobicContact CB-CB 4.35Å; N1822-D1825 PolarHBondContact ND2-OD2 3.34Å; N1822-D1825 PolarHBondContact O-N 2.96Å; N1822-D1826 PolarHBondContact O-N 2.83Å; N1822-D1826 VanDerWaalsContact O-N 3.13Å
1823V62.7Low64.8Low84 Ų8466.2 Ų66.251%0.50940%0.395SS..Hα-helixtrans-53.8-34.6-177.4179.90000111Y1812 G1821 D1825 V1827Y1812-V1823 HydrophobicContact CD1-CG2 4.48Å; Y1812-V1823 HydrophobicContact CE1-CG2 3.58Å; Y1812-V1823 WeakPolarHBondContact OH-CA 3.32Å; Y1812-V1823 PolarHBondContact OH-N 3.23Å; G1821-V1823 PolarHBondContact O-N 2.88Å; V1823-D1825 VanDerWaalsContact C-N 3.32Å; V1823-D1825 PolarHBondContact O-N 3.3Å; V1823-V1827 HydrophobicContact CG1-CG2 4.07Å; V1823-V1827 WeakPolarHBondContact O-CB 3.34Å; V1823-V1827 WeakPolarHBondContact O-CG2 3.27Å; V1823-V1827 PolarHBondContact O-N 2.94Å
1824L59.5Low65Low95 Ų9569.6 Ų69.650%0.49741%0.414SS..Hα-helixtrans-65.8-32.7-179.6-146.282.2000113.1N1822 K1828N1822-L1824 PolarHBondContact O-N 3.39Å; L1824-K1828 WeakPolarHBondContact O-CD 3.17Å; L1824-K1828 WeakPolarHBondContact O-CE 3.07Å; L1824-K1828 WeakPolarHBondContact O-CG 3.31Å; L1824-K1828 PolarHBondContact O-N 3.06Å
1825D64.2Low65.3Low63 Ų6369.6 Ų69.634%0.33741%0.413SS..Hα-helixtrans-88.8-38-176.9-62.3-33.8000111.2N1822 V1823 V1827 K1828 A1829N1822-D1825 HydrophobicContact CB-CB 4.35Å; N1822-D1825 PolarHBondContact ND2-OD2 3.34Å; N1822-D1825 PolarHBondContact O-N 2.96Å; V1823-D1825 VanDerWaalsContact C-N 3.32Å; V1823-D1825 PolarHBondContact O-N 3.3Å; D1825-V1827 VanDerWaalsContact C-N 3.32Å; D1825-V1827 PolarHBondContact O-N 3Å; D1825-K1828 PolarHBondContact O-N 3Å; D1825-K1828 IonicContact OD1-NZ 2.9Å; D1825-K1828 PolarHBondContact OD1-NZ 3.46Å; D1825-A1829 WeakPolarHBondContact O-CB 3.29Å; D1825-A1829 PolarHBondContact O-N 2.95Å
1826D65Low65.5Low12 Ų1270.1 Ų70.16%0.06442%0.416CS..Hα-helixtrans-67.4-33.7173.9-676.5000111Y1812 G1819 S1820 N1822 A1829 S1830 R1831Y1812-D1826 HydrophobicContact CE2-CB 4.07Å; Y1812-D1826 WeakPolarHBondContact CE2-OD2 3.39Å; G1819-D1826 WeakPolarHBondContact CA-OD2 3.17Å; S1820-D1826 WeakPolarHBondContact CB-OD1 3.43Å; S1820-D1826 PolarHBondContact N-OD1 3.47Å; S1820-D1826 PolarHBondContact N-OD2 2.99Å; S1820-D1826 VanDerWaalsContact N-OD2 3.15Å; S1820-D1826 PolarHBondContact OG-OD1 3.16Å; N1822-D1826 PolarHBondContact O-N 2.83Å; N1822-D1826 VanDerWaalsContact O-N 3.13Å; D1826-A1829 PolarHBondContact O-N 3.23Å; D1826-S1830 PolarHBondContact O-N 3.42Å; D1826-R1831 PolarHBondContact O-N 2.79Å
1827V64.2Low66.2Low93 Ų9372.9 Ų72.956%0.56443%0.43SS*.Hα-helixtrans-69.2-42170168.50000112.2V1823 D1825 A1829 S1830V1823-V1827 HydrophobicContact CG1-CG2 4.07Å; V1823-V1827 WeakPolarHBondContact O-CB 3.34Å; V1823-V1827 WeakPolarHBondContact O-CG2 3.27Å; V1823-V1827 PolarHBondContact O-N 2.94Å; D1825-V1827 VanDerWaalsContact C-N 3.32Å; D1825-V1827 PolarHBondContact O-N 3Å; V1827-A1829 VanDerWaalsContact C-N 3.26Å; V1827-A1829 PolarHBondContact O-N 2.89Å; V1827-S1830 PolarHBondContact O-N 3.26Å
1828K61.5Low67.1Low100 Ų10069 Ų6944%0.43542%0.416SS..Hα-helixtrans-58.4-40.4173.3-77.1165.3-1551640111.5L1824 D1825 S1830 F2309L1824-K1828 WeakPolarHBondContact O-CD 3.17Å; L1824-K1828 WeakPolarHBondContact O-CE 3.07Å; L1824-K1828 WeakPolarHBondContact O-CG 3.31Å; L1824-K1828 PolarHBondContact O-N 3.06Å; D1825-K1828 PolarHBondContact O-N 3Å; D1825-K1828 IonicContact OD1-NZ 2.9Å; D1825-K1828 PolarHBondContact OD1-NZ 3.46Å; K1828-S1830 PolarHBondContact O-N 2.61Å; K1828-F2309 HydrophobicContact CD-CB 4.49Å; K1828-F2309 HydrophobicContact CD-CD2 4.44Å
1829A64.8Low68.3Low45 Ų4567.6 Ų67.637%0.37240%0.397SS..THydrogen-bonded Turntrans-77.6-2.7178.500000113.8D1825 D1826 V1827 R1831D1825-A1829 WeakPolarHBondContact O-CB 3.29Å; D1825-A1829 PolarHBondContact O-N 2.95Å; D1826-A1829 PolarHBondContact O-N 3.23Å; V1827-A1829 VanDerWaalsContact C-N 3.26Å; V1827-A1829 PolarHBondContact O-N 2.89Å; A1829-R1831 HydrophobicContact CB-CB 4.34Å; A1829-R1831 HydrophobicContact CB-CG 3.73Å; A1829-R1831 PolarHBondContact O-N 2.9Å; A1829-R1831 VanDerWaalsContact O-N 3.17Å
1830S65.2Low69.7Low104 Ų10468.2 Ų68.273%0.72739%0.392SS*.THydrogen-bonded Turntrans54.125.8-171.8-55.70000114.2D1826 V1827 K1828 I1832D1826-S1830 PolarHBondContact O-N 3.42Å; V1827-S1830 PolarHBondContact O-N 3.26Å; K1828-S1830 PolarHBondContact O-N 2.61Å; S1830-I1832 PolarHBondContact O-N 3.28Å; S1830-I1832 VanDerWaalsContact O-N 3.12Å
1831R64.5Low71Confident161 Ų16168.2 Ų68.261%0.60839%0.389SS*.  trans-89.267.2-175.1-69.2179.9-173.7-178.12.8111.3D1826 A1829 P1833D1826-R1831 PolarHBondContact O-N 2.79Å; A1829-R1831 HydrophobicContact CB-CB 4.34Å; A1829-R1831 HydrophobicContact CB-CG 3.73Å; A1829-R1831 PolarHBondContact O-N 2.9Å; A1829-R1831 VanDerWaalsContact O-N 3.17Å; R1831-P1833 WeakPolarHBondContact O-CD 3.47Å
1832I66.8Low72.3Confident112 Ų11268 Ų6857%0.57439%0.386SS*.  trans-86.5118.8168-54.9179.5000108S1830 V1834 V1837S1830-I1832 PolarHBondContact O-N 3.28Å; S1830-I1832 VanDerWaalsContact O-N 3.12Å; I1832-V1834 PolarHBondContact O-N 2.79Å; I1832-V1837 HydrophobicContact CG2-CG2 3.64Å
1833P71.3Confident73.4Confident21 Ų2165.2 Ų65.214%0.13637%0.371CS..  trans-62128.7-179.1-2434.9000112R1831 T1835 L1836 V1837R1831-P1833 WeakPolarHBondContact O-CD 3.47Å; P1833-T1835 WeakPolarHBondContact CB-OG1 3.23Å; P1833-T1835 PolarHBondContact O-N 3.06Å; P1833-L1836 HydrophobicContact CB-CB 4.04Å; P1833-L1836 HydrophobicContact CG-CB 4.48Å; P1833-L1836 WeakPolarHBondContact O-CB 3.5Å; P1833-L1836 PolarHBondContact O-N 3Å; P1833-V1837 PolarHBondContact O-N 3.15Å
1834V77.9Confident74.6Confident110 Ų11063.9 Ų63.967%0.66736%0.364SS*.Hα-helixtrans-58.7-38.5178.2-179.40000111.1I1832 L1836 V1837 V1838I1832-V1834 PolarHBondContact O-N 2.79Å; V1834-L1836 VanDerWaalsContact C-N 3.32Å; V1834-L1836 PolarHBondContact O-N 2.9Å; V1834-V1837 PolarHBondContact O-N 2.93Å; V1834-V1838 HydrophobicContact CG1-CG2 4.41Å; V1834-V1838 WeakPolarHBondContact O-CG2 3.43Å; V1834-V1838 PolarHBondContact O-N 3.14Å
1835T80.1Confident75.9Confident13 Ų1363.7 Ų63.78%0.0836%0.363CS..Hα-helixtrans-52.6-45.2171.645.60000112.6F1815 P1833 M1839 M1884F1815-T1835 PolarHBondContact O-OG1 3.49Å; P1833-T1835 WeakPolarHBondContact CB-OG1 3.23Å; P1833-T1835 PolarHBondContact O-N 3.06Å; T1835-M1839 WeakPolarHBondContact O-CB 3.06Å; T1835-M1839 VanDerWaalsContact O-CG 3.23Å; T1835-M1839 WeakPolarHBondContact O-CG 3.3Å; T1835-M1839 PolarHBondContact O-N 2.93Å; T1835-M1884 HydrophobicContact CG2-CE 3.77Å; T1835-M1884 HydrophobicContact CG2-SD 4.09Å
1836L80.2Confident77.1Confident11 Ų1161 Ų616%0.05835%0.348CS..Hα-helixtrans-66.5-43.8178177.671.6000111.8M1808 F1815 P1833 V1834 M1839 L1840M1808-L1836 HydrophobicContact CB-CD1 4.27Å; M1808-L1836 WeakPolarHBondContact O-CD1 3.32Å; F1815-L1836 HydrophobicContact CB-CB 4.49Å; F1815-L1836 HydrophobicContact CD2-CD1 4.07Å; P1833-L1836 HydrophobicContact CB-CB 4.04Å; P1833-L1836 HydrophobicContact CG-CB 4.48Å; P1833-L1836 WeakPolarHBondContact O-CB 3.5Å; P1833-L1836 PolarHBondContact O-N 3Å; V1834-L1836 VanDerWaalsContact C-N 3.32Å; V1834-L1836 PolarHBondContact O-N 2.9Å; L1836-M1839 PolarHBondContact O-N 3.13Å; L1836-L1840 HydrophobicContact CD1-CD1 4.1Å; L1836-L1840 HydrophobicContact CD1-CG 4.16Å; L1836-L1840 HydrophobicContact CD2-CD1 4.44Å; L1836-L1840 HydrophobicContact CG-CD1 3.9Å; L1836-L1840 HydrophobicContact CG-CG 4.32Å; L1836-L1840 WeakPolarHBondContact O-CB 3.5Å; L1836-L1840 WeakPolarHBondContact O-CG 3.13Å; L1836-L1840 PolarHBondContact O-N 3.34Å
1837V81.1Confident78.3Confident71 Ų7161.8 Ų61.843%0.4335%0.352SS..Hα-helixtrans-62-46.2179-179.30000110.4I1832 P1833 V1834 M1839 L1840 V1841I1832-V1837 HydrophobicContact CG2-CG2 3.64Å; P1833-V1837 PolarHBondContact O-N 3.15Å; V1834-V1837 PolarHBondContact O-N 2.93Å; V1837-M1839 VanDerWaalsContact C-N 3.33Å; V1837-M1839 PolarHBondContact O-N 3.3Å; V1837-L1840 PolarHBondContact O-N 3.49Å; V1837-V1841 HydrophobicContact CG1-CG2 4.46Å; V1837-V1841 WeakPolarHBondContact O-CB 2.89Å; V1837-V1841 WeakPolarHBondContact O-CG2 3.33Å; V1837-V1841 PolarHBondContact O-N 3.48Å
1838V83.6Confident79.5Confident73 Ų7359.7 Ų59.744%0.44234%0.338SS..Hα-helixtrans-60.8-41.6175.9173.20000111.3V1834 G1842 W1876V1834-V1838 HydrophobicContact CG1-CG2 4.41Å; V1834-V1838 WeakPolarHBondContact O-CG2 3.43Å; V1834-V1838 PolarHBondContact O-N 3.14Å; V1838-G1842 PolarHBondContact O-N 3.02Å; V1838-W1876 HydrophobicContact CG1-CH2 3.9Å; V1838-W1876 HydrophobicContact CG1-CZ2 4.21Å
1839M82.7Confident80.8Confident21 Ų2158.9 Ų58.910%0.10334%0.337CS..Hα-helixtrans-68.9-41177.9-74.3177.862.800113.3M1808 F1815 T1835 L1836 V1837 G1842 M1843 W1876 L1898M1808-M1839 HydrophobicContact CG-CE 4.33Å; M1808-M1839 HydrophobicContact SD-CB 3.96Å; M1808-M1839 HydrophobicContact SD-CE 3.99Å; F1815-M1839 HydrophobicContact CD1-CE 4.11Å; F1815-M1839 HydrophobicContact CD1-SD 3.8Å; F1815-M1839 HydrophobicContact CE1-CE 3.55Å; F1815-M1839 HydrophobicContact CE1-SD 3.88Å; F1815-M1839 HydrophobicContact CG-SD 4.48Å; F1815-M1839 HydrophobicContact CZ-CE 3.91Å; T1835-M1839 WeakPolarHBondContact O-CB 3.06Å; T1835-M1839 VanDerWaalsContact O-CG 3.23Å; T1835-M1839 WeakPolarHBondContact O-CG 3.3Å; T1835-M1839 PolarHBondContact O-N 2.93Å; L1836-M1839 PolarHBondContact O-N 3.13Å; V1837-M1839 VanDerWaalsContact C-N 3.33Å; V1837-M1839 PolarHBondContact O-N 3.3Å; M1839-G1842 PolarHBondContact O-N 3.08Å; M1839-M1843 VanDerWaalsContact O-CB 3.32Å; M1839-M1843 WeakPolarHBondContact O-CB 3.5Å; M1839-M1843 WeakPolarHBondContact O-CG 3.43Å; M1839-M1843 PolarHBondContact O-N 2.9Å; M1839-W1876 HydrophobicContact CG-CZ2 4.28Å; M1839-W1876 PolarHBondContact SD-NE1 3.49Å; M1839-L1898 HydrophobicContact CE-CD1 3.57Å
1840L84.9Confident82Confident43 Ų4356.8 Ų56.823%0.22532%0.32CS..Hα-helixtrans-65.5-46.7177-75172.2000111.5F1805 M1808 L1836 V1837 M1843 T1844F1805-L1840 HydrophobicContact CD2-CD2 4.15Å; F1805-L1840 HydrophobicContact CE2-CD2 3.82Å; F1805-L1840 HydrophobicContact CZ-CD2 4.27Å; M1808-L1840 HydrophobicContact CB-CD2 4.11Å; M1808-L1840 HydrophobicContact CE-CD2 4.15Å; L1836-L1840 HydrophobicContact CD1-CD1 4.1Å; L1836-L1840 HydrophobicContact CD1-CG 4.16Å; L1836-L1840 HydrophobicContact CD2-CD1 4.44Å; L1836-L1840 HydrophobicContact CG-CD1 3.9Å; L1836-L1840 HydrophobicContact CG-CG 4.32Å; L1836-L1840 WeakPolarHBondContact O-CB 3.5Å; L1836-L1840 WeakPolarHBondContact O-CG 3.13Å; L1836-L1840 PolarHBondContact O-N 3.34Å; V1837-L1840 PolarHBondContact O-N 3.49Å; L1840-M1843 PolarHBondContact O-N 3.14Å; L1840-T1844 WeakPolarHBondContact O-CG2 3.22Å; L1840-T1844 PolarHBondContact O-N 3.09Å; L1840-T1844 PolarHBondContact O-OG1 2.76Å
1841V86.4Confident83.1Confident76 Ų7654 Ų5446%0.46129%0.293SS..Hα-helixtrans-65-41.9176.1174.10000111.2V1837 M1843 T1844 L1845V1837-V1841 HydrophobicContact CG1-CG2 4.46Å; V1837-V1841 WeakPolarHBondContact O-CB 2.89Å; V1837-V1841 WeakPolarHBondContact O-CG2 3.33Å; V1837-V1841 PolarHBondContact O-N 3.48Å; V1841-M1843 VanDerWaalsContact C-N 3.3Å; V1841-M1843 PolarHBondContact O-N 3.02Å; V1841-T1844 PolarHBondContact O-N 2.96Å; V1841-T1844 PolarHBondContact O-OG1 3.47Å; V1841-T1844 VanDerWaalsContact O-OG1 3.06Å; V1841-L1845 HydrophobicContact CG1-CD1 4.01Å; V1841-L1845 WeakPolarHBondContact O-CB 3.42Å; V1841-L1845 VanDerWaalsContact O-CG 3.29Å; V1841-L1845 WeakPolarHBondContact O-CG 3.33Å; V1841-L1845 PolarHBondContact O-N 2.96Å
1842G87.1Confident84.2Confident38 Ų3847 Ų4739%0.39227%0.271SS..Hα-helixtrans-60.3-39.3175.100000112.6V1838 M1839 A1846V1838-G1842 PolarHBondContact O-N 3.02Å; M1839-G1842 PolarHBondContact O-N 3.08Å; G1842-A1846 VanDerWaalsContact O-CB 3.26Å; G1842-A1846 WeakPolarHBondContact O-CB 3.2Å; G1842-A1846 PolarHBondContact O-N 3.43Å
1843M88.1Confident85.3Confident24 Ų2443.2 Ų43.212%0.11825%0.251CS..Hα-helixtrans-78.2-34.8179.8-79.2-74-59.900113.9C1804 M1808 M1839 L1840 V1841 A1846 I1847C1804-M1843 HydrophobicContact CB-CE 3.63Å; M1808-M1843 HydrophobicContact CE-CB 3.57Å; M1808-M1843 HydrophobicContact CE-CE 4.34Å; M1808-M1843 HydrophobicContact CE-CG 3.49Å; M1808-M1843 VanDerWaalsContact CE-CG 3.49Å; M1808-M1843 HydrophobicContact SD-CB 4.5Å; M1808-M1843 HydrophobicContact SD-CG 3.94Å; M1839-M1843 VanDerWaalsContact O-CB 3.32Å; M1839-M1843 WeakPolarHBondContact O-CB 3.5Å; M1839-M1843 WeakPolarHBondContact O-CG 3.43Å; M1839-M1843 PolarHBondContact O-N 2.9Å; L1840-M1843 PolarHBondContact O-N 3.14Å; V1841-M1843 VanDerWaalsContact C-N 3.3Å; V1841-M1843 PolarHBondContact O-N 3.02Å; M1843-A1846 PolarHBondContact O-N 2.88Å; M1843-I1847 VanDerWaalsContact O-CG1 3.29Å; M1843-I1847 WeakPolarHBondContact O-CG1 3.41Å; M1843-I1847 PolarHBondContact O-N 3.12Å
1844T87Confident86Confident56 Ų5642.8 Ų42.834%0.34425%0.247SC..Hα-helixtrans-65-43.1171.554.10000111F1805 L1840 V1841 A1846 I1847 I1848F1805-T1844 HydrophobicContact CD2-CG2 4.41Å; F1805-T1844 HydrophobicContact CE2-CG2 3.82Å; L1840-T1844 WeakPolarHBondContact O-CG2 3.22Å; L1840-T1844 PolarHBondContact O-N 3.09Å; L1840-T1844 PolarHBondContact O-OG1 2.76Å; V1841-T1844 PolarHBondContact O-N 2.96Å; V1841-T1844 PolarHBondContact O-OG1 3.47Å; V1841-T1844 VanDerWaalsContact O-OG1 3.06Å; T1844-A1846 VanDerWaalsContact C-N 3.35Å; T1844-A1846 PolarHBondContact O-N 3.36Å; T1844-I1847 PolarHBondContact O-N 3.41Å; T1844-I1848 WeakPolarHBondContact O-CD1 3.3Å; T1844-I1848 VanDerWaalsContact O-CG1 3.24Å; T1844-I1848 WeakPolarHBondContact O-CG1 3.23Å; T1844-I1848 PolarHBondContact O-N 3.38Å
1845L88.2Confident86.3Confident91 Ų9139.3 Ų39.348%0.47622%0.224SC..Hα-helixtrans-60.5-42.5171.8-70.2171.9000111.9V1841 I1847 I1848 I1849V1841-L1845 HydrophobicContact CG1-CD1 4.01Å; V1841-L1845 WeakPolarHBondContact O-CB 3.42Å; V1841-L1845 VanDerWaalsContact O-CG 3.29Å; V1841-L1845 WeakPolarHBondContact O-CG 3.33Å; V1841-L1845 PolarHBondContact O-N 2.96Å; L1845-I1847 VanDerWaalsContact C-N 3.34Å; L1845-I1847 PolarHBondContact O-N 2.89Å; L1845-I1848 PolarHBondContact O-N 2.99Å; L1845-I1849 WeakPolarHBondContact O-CB 3.37Å; L1845-I1849 VanDerWaalsContact O-CG1 3.27Å; L1845-I1849 WeakPolarHBondContact O-CG1 3.47Å; L1845-I1849 PolarHBondContact O-N 2.95Å
1846A88.8Confident86.5Confident5 Ų546.2 Ų46.24%0.04125%0.249CC..Hα-helixtrans-61.9-38.3177.900000113.1G1842 M1843 T1844 D1850 Y1865 M1869G1842-A1846 VanDerWaalsContact O-CB 3.26Å; G1842-A1846 WeakPolarHBondContact O-CB 3.2Å; G1842-A1846 PolarHBondContact O-N 3.43Å; M1843-A1846 PolarHBondContact O-N 2.88Å; T1844-A1846 VanDerWaalsContact C-N 3.35Å; T1844-A1846 PolarHBondContact O-N 3.36Å; A1846-D1850 WeakPolarHBondContact O-CB 3.41Å; A1846-D1850 PolarHBondContact O-N 2.88Å; A1846-Y1865 PolarHBondContact O-OH 3.43Å; A1846-Y1865 VanDerWaalsContact O-OH 3.05Å; A1846-M1869 HydrophobicContact CB-CE 4.16Å
1847I89.2Confident86.7Confident29 Ų2949.3 Ų49.315%0.14926%0.262CS..Hα-helixtrans-67.7-43.4175.1-70.3164.5000110.9F1798 D1801 M1843 T1844 L1845 D1850 R1851F1798-I1847 HydrophobicContact CD2-CG2 4.14Å; F1798-I1847 HydrophobicContact CE2-CG2 3.92Å; D1801-I1847 HydrophobicContact CB-CD1 4.14Å; D1801-I1847 HydrophobicContact CB-CG1 3.9Å; M1843-I1847 VanDerWaalsContact O-CG1 3.29Å; M1843-I1847 WeakPolarHBondContact O-CG1 3.41Å; M1843-I1847 PolarHBondContact O-N 3.12Å; T1844-I1847 PolarHBondContact O-N 3.41Å; L1845-I1847 VanDerWaalsContact C-N 3.34Å; L1845-I1847 PolarHBondContact O-N 2.89Å; I1847-D1850 PolarHBondContact O-N 3.37Å; I1847-R1851 PolarHBondContact O-N 3.44Å
1848I89.3Confident87Confident49 Ų4948 Ų4825%0.25126%0.256SS..Hα-helixtrans-62.6-45.5178-67.9165.8000110.5T1844 L1845 D1850 R1851 A1852 I1954 W1958T1844-I1848 WeakPolarHBondContact O-CD1 3.3Å; T1844-I1848 VanDerWaalsContact O-CG1 3.24Å; T1844-I1848 WeakPolarHBondContact O-CG1 3.23Å; T1844-I1848 PolarHBondContact O-N 3.38Å; L1845-I1848 PolarHBondContact O-N 2.99Å; I1848-D1850 PolarHBondContact O-N 2.84Å; I1848-R1851 PolarHBondContact O-N 3.09Å; I1848-A1852 WeakPolarHBondContact O-CB 3.49Å; I1848-A1852 PolarHBondContact O-N 2.98Å; I1848-I1954 HydrophobicContact CG1-CD1 3.99Å; I1848-W1958 HydrophobicContact CG2-CH2 3.47Å; I1848-W1958 VanDerWaalsContact CG2-CH2 3.47Å; I1848-W1958 HydrophobicContact CG2-CZ2 4.45Å; I1848-W1958 HydrophobicContact CG2-CZ3 4.03Å
1849I89.9Confident87Confident83 Ų8346.1 Ų46.143%0.42625%0.245SC..Hα-helixtrans-63.3-40176.6-67.9165.2000111.1L1845 A1852 L1853 Y1865L1845-I1849 WeakPolarHBondContact O-CB 3.37Å; L1845-I1849 VanDerWaalsContact O-CG1 3.27Å; L1845-I1849 WeakPolarHBondContact O-CG1 3.47Å; L1845-I1849 PolarHBondContact O-N 2.95Å; I1849-A1852 PolarHBondContact O-N 2.9Å; I1849-L1853 HydrophobicContact CG2-CD1 4.05Å; I1849-L1853 HydrophobicContact CG2-CG 4.41Å; I1849-L1853 WeakPolarHBondContact O-CB 3.36Å; I1849-L1853 WeakPolarHBondContact O-CG 3.25Å; I1849-L1853 PolarHBondContact O-N 2.96Å; I1849-Y1865 HydrophobicContact CB-CE2 4.28Å; I1849-Y1865 HydrophobicContact CG2-CD2 3.74Å; I1849-Y1865 HydrophobicContact CG2-CE2 3.79Å
1850D89.8Confident87.2Confident2 Ų249 Ų491%0.01126%0.263CS..Hα-helixtrans-64.9-44.8176.8-163.38.5000112A1846 I1847 I1848 A1852 L1853 Y1854 K1862 Y1905A1846-D1850 WeakPolarHBondContact O-CB 3.41Å; A1846-D1850 PolarHBondContact O-N 2.88Å; I1847-D1850 PolarHBondContact O-N 3.37Å; I1848-D1850 PolarHBondContact O-N 2.84Å; D1850-A1852 VanDerWaalsContact C-N 3.31Å; D1850-A1852 PolarHBondContact O-N 3.4Å; D1850-L1853 PolarHBondContact O-N 2.97Å; D1850-Y1854 WeakPolarHBondContact O-CB 3.47Å; D1850-Y1854 PolarHBondContact O-N 3.18Å; D1850-K1862 IonicContact OD1-NZ 3.11Å; D1850-K1862 PolarHBondContact OD1-NZ 2.8Å; D1850-K1862 IonicContact OD2-NZ 2.92Å; D1850-K1862 PolarHBondContact OD2-NZ 3.15Å; D1850-K1862 VanDerWaalsContact OD2-NZ 3.13Å; D1850-Y1905 PolarHBondContact OD2-OH 3.5Å
1851R88.6Confident87.4Confident44 Ų4447.9 Ų47.917%0.16626%0.262CS..Hα-helixtrans-60.7-40.5175.2-173.951.8171-170.5-1.4111.8Y1794 I1847 I1848 Y1854 L1855 I1954 D1955Y1794-R1851 WeakPolarHBondContact OH-CA 3.3Å; Y1794-R1851 WeakPolarHBondContact OH-CB 3.43Å; Y1794-R1851 WeakPolarHBondContact OH-CD 3.41Å; I1847-R1851 PolarHBondContact O-N 3.44Å; I1848-R1851 PolarHBondContact O-N 3.09Å; R1851-Y1854 PolarHBondContact O-N 3.49Å; R1851-L1855 HydrophobicContact CG-CD1 4.1Å; R1851-L1855 WeakPolarHBondContact O-CB 3.35Å; R1851-L1855 WeakPolarHBondContact O-CG 3.26Å; R1851-L1855 PolarHBondContact O-N 2.91Å; R1851-I1954 HydrophobicContact CB-CG2 4.26Å; R1851-I1954 HydrophobicContact CG-CG2 3.4Å; R1851-D1955 IonicContact CZ-OD1 3.64Å; R1851-D1955 VanDerWaalsContact CZ-OD1 3.22Å; R1851-D1955 IonicContact NE-OD1 3.11Å; R1851-D1955 PolarHBondContact NE-OD1 3.09Å; R1851-D1955 IonicContact NH2-OD1 3.6Å; R1851-D1955 PolarHBondContact NH2-OD1 3.44Å; R1851-D1955 IonicContact NH2-OD2 2.66Å; R1851-D1955 PolarHBondContact NH2-OD2 3.28Å
1852A87.5Confident87.5Confident16 Ų1644.3 Ų44.313%0.13224%0.24CC..Hα-helixtrans-64.4-43.6175.500000112.5I1848 I1849 D1850 L1855 R1856 W1958I1848-A1852 WeakPolarHBondContact O-CB 3.49Å; I1848-A1852 PolarHBondContact O-N 2.98Å; I1849-A1852 PolarHBondContact O-N 2.9Å; D1850-A1852 VanDerWaalsContact C-N 3.31Å; D1850-A1852 PolarHBondContact O-N 3.4Å; A1852-L1855 PolarHBondContact O-N 2.89Å; A1852-R1856 VanDerWaalsContact O-CB 3.31Å; A1852-R1856 WeakPolarHBondContact O-CB 3.47Å; A1852-R1856 WeakPolarHBondContact O-CG 3.36Å; A1852-R1856 PolarHBondContact O-N 3.5Å; A1852-W1958 HydrophobicContact CB-CD2 3.65Å; A1852-W1958 HydrophobicContact CB-CE3 3.95Å; A1852-W1958 HydrophobicContact CB-CG 4.21Å; A1852-W1958 HydrophobicContact CB-CH2 4.17Å; A1852-W1958 HydrophobicContact CB-CZ2 3.84Å; A1852-W1958 HydrophobicContact CB-CZ3 4.18Å
1853L89Confident87.6Confident31 Ų3144 Ų4416%0.16223%0.23CC..Hα-helixtrans-64.9-38176.5-74.5173000112.5I1849 D1850 K1857 S1858 K1862 Y1865I1849-L1853 HydrophobicContact CG2-CD1 4.05Å; I1849-L1853 HydrophobicContact CG2-CG 4.41Å; I1849-L1853 WeakPolarHBondContact O-CB 3.36Å; I1849-L1853 WeakPolarHBondContact O-CG 3.25Å; I1849-L1853 PolarHBondContact O-N 2.96Å; D1850-L1853 PolarHBondContact O-N 2.97Å; L1853-K1857 PolarHBondContact O-N 3.49Å; L1853-S1858 PolarHBondContact O-N 3.46Å; L1853-S1858 VanDerWaalsContact O-N 3.16Å; L1853-K1862 HydrophobicContact CD1-CD 4.43Å; L1853-Y1865 HydrophobicContact CD1-CD2 4.14Å; L1853-Y1865 HydrophobicContact CD1-CG 4.02Å
1854Y87.4Confident87.7Confident13 Ų1347.5 Ų47.55%0.05125%0.247CC..Hα-helixtrans-63.7-52.5173.4171.5-99.9000111.9Y1794 D1850 R1851 R1856 K1857 Y1917 C1921Y1794-Y1854 VanDerWaalsContact CB-CD2 3.43Å; Y1794-Y1854 VanDerWaalsContact CB-CE2 3.43Å; Y1794-Y1854 HydrophobicContact CD1-CD1 4.07Å; Y1794-Y1854 HydrophobicContact CD1-CD2 4.24Å; Y1794-Y1854 HydrophobicContact CD1-CE1 4.19Å; Y1794-Y1854 HydrophobicContact CD1-CE2 4.34Å; Y1794-Y1854 HydrophobicContact CD1-CG 4.1Å; Y1794-Y1854 HydrophobicContact CD2-CD1 4.26Å; Y1794-Y1854 AromaticContact CD2-CD2 3.64Å; Y1794-Y1854 HydrophobicContact CD2-CD2 3.64Å; Y1794-Y1854 HydrophobicContact CD2-CE2 4.43Å; Y1794-Y1854 AromaticContact CD2-CG 3.53Å; Y1794-Y1854 HydrophobicContact CD2-CG 3.53Å; Y1794-Y1854 HydrophobicContact CE1-CD1 4.36Å; Y1794-Y1854 HydrophobicContact CE2-CG 4.01Å; Y1794-Y1854 HydrophobicContact CG-CD1 4.05Å; Y1794-Y1854 AromaticContact CG-CD2 3.46Å; Y1794-Y1854 HydrophobicContact CG-CD2 3.46Å; Y1794-Y1854 VanDerWaalsContact CG-CD2 3.46Å; Y1794-Y1854 HydrophobicContact CG-CE1 4.36Å; Y1794-Y1854 AromaticContact CG-CE2 3.8Å; Y1794-Y1854 HydrophobicContact CG-CE2 3.8Å; Y1794-Y1854 AromaticContact CG-CG 3.6Å; Y1794-Y1854 HydrophobicContact CG-CG 3.6Å; D1850-Y1854 WeakPolarHBondContact O-CB 3.47Å; D1850-Y1854 PolarHBondContact O-N 3.18Å; R1851-Y1854 PolarHBondContact O-N 3.49Å; Y1854-R1856 VanDerWaalsContact C-N 3.29Å; Y1854-R1856 PolarHBondContact O-N 3.46Å; Y1854-K1857 WeakPolarHBondContact O-CA 3.05Å; Y1854-K1857 PolarHBondContact O-N 2.94Å; Y1854-Y1917 HydrophobicContact CD2-CD1 4.04Å; Y1854-Y1917 AromaticContact CD2-CE1 3.81Å; Y1854-Y1917 HydrophobicContact CD2-CE1 3.81Å; Y1854-Y1917 HydrophobicContact CE2-CD1 4.4Å; Y1854-C1921 PolarHBondContact OH-SG 3.18Å
1855L83Confident87.9Confident36 Ų3645.7 Ų45.719%0.18824%0.235CC..Hα-helixtrans-62.8-35.1179.4-69.4172.2000112.1R1851 A1852 K1857 W1958R1851-L1855 HydrophobicContact CG-CD1 4.1Å; R1851-L1855 WeakPolarHBondContact O-CB 3.35Å; R1851-L1855 WeakPolarHBondContact O-CG 3.26Å; R1851-L1855 PolarHBondContact O-N 2.91Å; A1852-L1855 PolarHBondContact O-N 2.89Å; L1855-K1857 VanDerWaalsContact C-N 3.3Å; L1855-K1857 PolarHBondContact O-N 2.89Å; L1855-W1958 HydrophobicContact CB-CB 4.08Å; L1855-W1958 HydrophobicContact CD1-CB 3.82Å; L1855-W1958 HydrophobicContact CD1-CE3 4.45Å
1856R84.9Confident88Confident158 Ų15841.6 Ų41.660%0.59621%0.213SC*.THydrogen-bonded Turntrans-77.7-6.1171.7-71.2-65.3-157.3-165.62.3114.5A1852 Y1854 S1858A1852-R1856 VanDerWaalsContact O-CB 3.31Å; A1852-R1856 WeakPolarHBondContact O-CB 3.47Å; A1852-R1856 WeakPolarHBondContact O-CG 3.36Å; A1852-R1856 PolarHBondContact O-N 3.5Å; Y1854-R1856 VanDerWaalsContact C-N 3.29Å; Y1854-R1856 PolarHBondContact O-N 3.46Å; R1856-S1858 PolarHBondContact O-N 3.16Å
1857K84.4Confident88Confident76 Ų7644.4 Ų44.433%0.3323%0.229SC..THydrogen-bonded Turntrans55.228.2179.4-56.6173.4-175.3171.70114.4L1853 Y1854 L1855 V1859 E1919 C1921L1853-K1857 PolarHBondContact O-N 3.49Å; Y1854-K1857 WeakPolarHBondContact O-CA 3.05Å; Y1854-K1857 PolarHBondContact O-N 2.94Å; L1855-K1857 VanDerWaalsContact C-N 3.3Å; L1855-K1857 PolarHBondContact O-N 2.89Å; K1857-V1859 PolarHBondContact O-N 3.43Å; K1857-E1919 PolarHBondContact NZ-O 3.4Å; K1857-C1921 VanDerWaalsContact CE-SG 3.53Å
1858S86.8Confident88.1Confident45 Ų4548.4 Ų48.432%0.31525%0.251SS..  trans-89.498-171.5-1760000113.4L1853 R1856 G1861 K1862L1853-S1858 PolarHBondContact O-N 3.46Å; L1853-S1858 VanDerWaalsContact O-N 3.16Å; R1856-S1858 PolarHBondContact O-N 3.16Å; S1858-G1861 PolarHBondContact O-N 3.04Å; S1858-G1861 PolarHBondContact OG-N 3.08Å; S1858-K1862 WeakPolarHBondContact O-CB 3.44Å; S1858-K1862 PolarHBondContact O-N 3.46Å
1859V84.5Confident88Confident33 Ų3347.8 Ų47.820%0.225%0.247CC..Hα-helixtrans-65.6-37.9177.2-174.40000112F1783 K1857 K1862 L1863 I1913 Y1917F1783-V1859 HydrophobicContact CE1-CG1 4.25Å; K1857-V1859 PolarHBondContact O-N 3.43Å; V1859-K1862 PolarHBondContact O-N 3.43Å; V1859-L1863 PolarHBondContact O-N 3.3Å; V1859-I1913 HydrophobicContact CG1-CG2 4.15Å; V1859-Y1917 HydrophobicContact CG2-CD2 3.79Å; V1859-Y1917 HydrophobicContact CG2-CE2 4.24Å
1860V87Confident88Confident82 Ų8243.8 Ų43.850%0.49723%0.227SC..Hα-helixtrans-65.3-46.3177.5179.90000110.9F1783 K1862 L1863 I1864F1783-V1860 HydrophobicContact CE1-CG2 4.31Å; F1783-V1860 HydrophobicContact CZ-CG2 4.12Å; V1860-K1862 PolarHBondContact O-N 2.96Å; V1860-L1863 PolarHBondContact O-N 3.09Å; V1860-I1864 HydrophobicContact CG1-CD1 4.14Å; V1860-I1864 WeakPolarHBondContact O-CG1 3.37Å; V1860-I1864 PolarHBondContact O-N 3.24Å
1861G88.1Confident87.9Confident19 Ų1945.9 Ų45.920%0.19624%0.244CC..Hα-helixtrans-59.7-37.4174.400000112S1858 Y1865S1858-G1861 PolarHBondContact O-N 3.04Å; S1858-G1861 PolarHBondContact OG-N 3.08Å; G1861-Y1865 VanDerWaalsContact O-CB 3.27Å; G1861-Y1865 WeakPolarHBondContact O-CB 3.17Å; G1861-Y1865 PolarHBondContact O-N 2.74Å
1862K89.8Confident87.9Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-68.2-38.4176.6-169.566.5-169.8-179.90113.5M1797 D1850 L1853 S1858 V1859 V1860 Y1865 Q1866 Y1905 S1909 I1913M1797-K1862 VanDerWaalsContact CE-NZ 3.35Å; D1850-K1862 IonicContact OD1-NZ 3.11Å; D1850-K1862 PolarHBondContact OD1-NZ 2.8Å; D1850-K1862 IonicContact OD2-NZ 2.92Å; D1850-K1862 PolarHBondContact OD2-NZ 3.15Å; D1850-K1862 VanDerWaalsContact OD2-NZ 3.13Å; L1853-K1862 HydrophobicContact CD1-CD 4.43Å; S1858-K1862 WeakPolarHBondContact O-CB 3.44Å; S1858-K1862 PolarHBondContact O-N 3.46Å; V1859-K1862 PolarHBondContact O-N 3.43Å; V1860-K1862 PolarHBondContact O-N 2.96Å; K1862-Y1865 HydrophobicContact CD-CD1 4.35Å; K1862-Y1865 PolarHBondContact O-N 3.43Å; K1862-Q1866 WeakPolarHBondContact O-CB 3.41Å; K1862-Q1866 PolarHBondContact O-N 2.78Å; K1862-Y1905 PolarHBondContact NZ-OH 3.29Å; K1862-S1909 WeakPolarHBondContact CE-OG 3.32Å; K1862-I1913 HydrophobicContact CB-CG1 4.44Å; K1862-I1913 HydrophobicContact CG-CD1 4.13Å; K1862-I1913 HydrophobicContact CG-CG1 3.95Å
1863L88.9Confident87.9Confident33 Ų3349.1 Ų49.117%0.17326%0.257CS..Hα-helixtrans-67.4-42.9176.8-172.737.4000111.2L1609 V1859 V1860 Q1866 V1867 I1913L1609-L1863 HydrophobicContact CD1-CD1 4.35Å; V1859-L1863 PolarHBondContact O-N 3.3Å; V1860-L1863 PolarHBondContact O-N 3.09Å; L1863-Q1866 PolarHBondContact O-N 3.41Å; L1863-V1867 WeakPolarHBondContact O-CG2 3.41Å; L1863-V1867 PolarHBondContact O-N 3.34Å; L1863-I1913 HydrophobicContact CB-CD1 4.26Å; L1863-I1913 HydrophobicContact CD1-CD1 4.21Å
1864I90.2Very high87.8Confident96 Ų9648.3 Ų48.349%0.49225%0.253SS..Hα-helixtrans-61.1-49.1172.6-65.2168000110.8V1860 Q1866 V1867 L1868V1860-I1864 HydrophobicContact CG1-CD1 4.14Å; V1860-I1864 WeakPolarHBondContact O-CG1 3.37Å; V1860-I1864 PolarHBondContact O-N 3.24Å; I1864-Q1866 VanDerWaalsContact C-N 3.31Å; I1864-Q1866 PolarHBondContact O-N 3.32Å; I1864-V1867 PolarHBondContact O-N 3.28Å; I1864-L1868 HydrophobicContact CG2-CD1 3.9Å; I1864-L1868 HydrophobicContact CG2-CG 4.44Å; I1864-L1868 WeakPolarHBondContact O-CG 3.41Å; I1864-L1868 PolarHBondContact O-N 3.4Å
1865Y90.9Very high87.7Confident19 Ų1952.1 Ų52.18%0.07527%0.273CS..Hα-helixtrans-55.8-44.2176.1172.6-86.3000111.9A1846 I1849 L1853 G1861 K1862 L1868 M1869 Y1905A1846-Y1865 PolarHBondContact O-OH 3.43Å; A1846-Y1865 VanDerWaalsContact O-OH 3.05Å; I1849-Y1865 HydrophobicContact CB-CE2 4.28Å; I1849-Y1865 HydrophobicContact CG2-CD2 3.74Å; I1849-Y1865 HydrophobicContact CG2-CE2 3.79Å; L1853-Y1865 HydrophobicContact CD1-CD2 4.14Å; L1853-Y1865 HydrophobicContact CD1-CG 4.02Å; G1861-Y1865 VanDerWaalsContact O-CB 3.27Å; G1861-Y1865 WeakPolarHBondContact O-CB 3.17Å; G1861-Y1865 PolarHBondContact O-N 2.74Å; K1862-Y1865 HydrophobicContact CD-CD1 4.35Å; K1862-Y1865 PolarHBondContact O-N 3.43Å; Y1865-L1868 PolarHBondContact O-N 3.43Å; Y1865-M1869 HydrophobicContact CD1-CG 4.16Å; Y1865-M1869 HydrophobicContact CD2-CG 4.23Å; Y1865-M1869 HydrophobicContact CE1-CG 3.86Å; Y1865-M1869 HydrophobicContact CE2-CG 3.98Å; Y1865-M1869 HydrophobicContact CG-CG 4.33Å; Y1865-M1869 VanDerWaalsContact O-CB 3.31Å; Y1865-M1869 WeakPolarHBondContact O-CB 3.35Å; Y1865-M1869 VanDerWaalsContact O-CG 3.26Å; Y1865-M1869 WeakPolarHBondContact O-CG 3.38Å; Y1865-M1869 PolarHBondContact O-N 3.39Å; Y1865-Y1905 HydrophobicContact CE1-CE1 4.34Å; Y1865-Y1905 WeakPolarHBondContact CE1-OH 3.44Å
1866Q90Very high87.9Confident4 Ų452.6 Ų52.62%0.01927%0.272CS..Hα-helixtrans-64.8-43.3179.5176.4152.9-11.800112.4K1862 L1863 I1864 I1870 F1906 S1909 I1913K1862-Q1866 WeakPolarHBondContact O-CB 3.41Å; K1862-Q1866 PolarHBondContact O-N 2.78Å; L1863-Q1866 PolarHBondContact O-N 3.41Å; I1864-Q1866 VanDerWaalsContact C-N 3.31Å; I1864-Q1866 PolarHBondContact O-N 3.32Å; Q1866-I1870 HydrophobicContact CG-CD1 3.61Å; Q1866-I1870 HydrophobicContact CG-CG1 4.35Å; Q1866-I1870 WeakPolarHBondContact O-CB 3.47Å; Q1866-I1870 WeakPolarHBondContact O-CD1 3.46Å; Q1866-I1870 WeakPolarHBondContact O-CG1 3.4Å; Q1866-I1870 PolarHBondContact O-N 2.79Å; Q1866-F1906 PolarHBondContact NE2-O 3Å; Q1866-S1909 VanDerWaalsContact OE1-C 3.29Å; Q1866-S1909 PolarHBondContact OE1-OG 2.88Å; Q1866-I1913 HydrophobicContact CB-CD1 4.18Å; Q1866-I1913 VanDerWaalsContact OE1-CD1 3.24Å
1867V88.5Confident87.9Confident64 Ų6445.4 Ų45.439%0.38825%0.246SC..Hα-helixtrans-62.5-47.1176.7173.30000111.1F1605 L1863 I1864 I1870 A1871F1605-V1867 HydrophobicContact CE1-CG2 4.15Å; L1863-V1867 WeakPolarHBondContact O-CG2 3.41Å; L1863-V1867 PolarHBondContact O-N 3.34Å; I1864-V1867 PolarHBondContact O-N 3.28Å; V1867-I1870 PolarHBondContact O-N 3.47Å; V1867-A1871 WeakPolarHBondContact O-CB 3.41Å; V1867-A1871 PolarHBondContact O-N 3.07Å; V1867-A1871 VanDerWaalsContact O-N 3.07Å
1868L90.5Very high87.9Confident114 Ų11443.3 Ų43.360%0.59724%0.237SC*.Hα-helixtrans-62.6-45.2178.8-68.9174.5000112.1I1864 Y1865 A1871 F1872I1864-L1868 HydrophobicContact CG2-CD1 3.9Å; I1864-L1868 HydrophobicContact CG2-CG 4.44Å; I1864-L1868 WeakPolarHBondContact O-CG 3.41Å; I1864-L1868 PolarHBondContact O-N 3.4Å; Y1865-L1868 PolarHBondContact O-N 3.43Å; L1868-A1871 PolarHBondContact O-N 2.92Å; L1868-F1872 VanDerWaalsContact O-CB 3.31Å; L1868-F1872 WeakPolarHBondContact O-CB 3.46Å; L1868-F1872 PolarHBondContact O-N 2.81Å
1869M88.7Confident87.8Confident35 Ų3544.4 Ų44.417%0.17224%0.239CC..Hα-helixtrans-69.4-35-179.5-71.9-62-6600113A1846 Y1865 L1873 F1906A1846-M1869 HydrophobicContact CB-CE 4.16Å; Y1865-M1869 HydrophobicContact CD1-CG 4.16Å; Y1865-M1869 HydrophobicContact CD2-CG 4.23Å; Y1865-M1869 HydrophobicContact CE1-CG 3.86Å; Y1865-M1869 HydrophobicContact CE2-CG 3.98Å; Y1865-M1869 HydrophobicContact CG-CG 4.33Å; Y1865-M1869 VanDerWaalsContact O-CB 3.31Å; Y1865-M1869 WeakPolarHBondContact O-CB 3.35Å; Y1865-M1869 VanDerWaalsContact O-CG 3.26Å; Y1865-M1869 WeakPolarHBondContact O-CG 3.38Å; Y1865-M1869 PolarHBondContact O-N 3.39Å; M1869-L1873 WeakPolarHBondContact O-CB 3.48Å; M1869-L1873 PolarHBondContact O-N 3.38Å; M1869-F1906 HydrophobicContact CB-CE1 3.68Å; M1869-F1906 HydrophobicContact CB-CZ 3.87Å
1870I90Very high87.8Confident0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-65.1-47173.6-72.2167.9000110.1L1601 L1604 F1605 Q1866 V1867 L1873 H1874 F1906L1601-I1870 HydrophobicContact CD2-CG2 4.13Å; L1604-I1870 HydrophobicContact CB-CD1 4.21Å; L1604-I1870 HydrophobicContact CD1-CD1 4.4Å; L1604-I1870 HydrophobicContact CD1-CG2 4.45Å; F1605-I1870 HydrophobicContact CD1-CD1 4.37Å; F1605-I1870 HydrophobicContact CE1-CB 4.27Å; F1605-I1870 HydrophobicContact CE1-CD1 3.82Å; F1605-I1870 HydrophobicContact CE1-CG2 4.07Å; F1605-I1870 HydrophobicContact CE2-CG2 4.13Å; F1605-I1870 HydrophobicContact CZ-CB 4.08Å; F1605-I1870 HydrophobicContact CZ-CD1 4.4Å; F1605-I1870 HydrophobicContact CZ-CG2 3.53Å; Q1866-I1870 HydrophobicContact CG-CD1 3.61Å; Q1866-I1870 HydrophobicContact CG-CG1 4.35Å; Q1866-I1870 WeakPolarHBondContact O-CB 3.47Å; Q1866-I1870 WeakPolarHBondContact O-CD1 3.46Å; Q1866-I1870 WeakPolarHBondContact O-CG1 3.4Å; Q1866-I1870 PolarHBondContact O-N 2.79Å; V1867-I1870 PolarHBondContact O-N 3.47Å; I1870-L1873 PolarHBondContact O-N 3.43Å; I1870-H1874 PolarHBondContact O-N 2.94Å; I1870-H1874 VanDerWaalsContact O-N 3.12Å; I1870-H1874 PolarHBondContact O-ND1 3.11Å; I1870-F1906 HydrophobicContact CD1-CB 4.33Å; I1870-F1906 HydrophobicContact CD1-CD1 4.37Å; I1870-F1906 HydrophobicContact CD1-CG 4.19Å; I1870-F1906 HydrophobicContact CG1-CB 4.35Å; I1870-F1906 HydrophobicContact CG1-CD1 3.82Å; I1870-F1906 HydrophobicContact CG1-CD2 3.69Å; I1870-F1906 HydrophobicContact CG1-CE1 3.96Å; I1870-F1906 HydrophobicContact CG1-CE2 3.82Å; I1870-F1906 HydrophobicContact CG1-CG 3.7Å; I1870-F1906 HydrophobicContact CG1-CZ 3.96Å
1871A87.7Confident87.6Confident46 Ų4641.4 Ų41.438%0.3822%0.221SC..Hα-helixtrans-62.1-49.3178.400000111.6V1867 L1868 L1873 H1874 I1875V1867-A1871 WeakPolarHBondContact O-CB 3.41Å; V1867-A1871 PolarHBondContact O-N 3.07Å; V1867-A1871 VanDerWaalsContact O-N 3.07Å; L1868-A1871 PolarHBondContact O-N 2.92Å; A1871-L1873 PolarHBondContact O-N 3.07Å; A1871-H1874 PolarHBondContact O-N 3.32Å; A1871-I1875 WeakPolarHBondContact O-CD1 3.41Å; A1871-I1875 WeakPolarHBondContact O-CG1 3.25Å; A1871-I1875 PolarHBondContact O-N 3.46Å; A1871-I1875 VanDerWaalsContact O-N 3.08Å
1872F88.3Confident87.3Confident113 Ų11340.8 Ų40.850%0.49621%0.213SC..Hα-helixtrans-55.9-48.3176.7177.8-100.6000111.8L1868 H1874 I1875 W1876L1868-F1872 VanDerWaalsContact O-CB 3.31Å; L1868-F1872 WeakPolarHBondContact O-CB 3.46Å; L1868-F1872 PolarHBondContact O-N 2.81Å; F1872-H1874 PolarHBondContact O-N 2.98Å; F1872-I1875 PolarHBondContact O-N 3.31Å; F1872-W1876 HydrophobicContact CE1-CB 4.44Å; F1872-W1876 HydrophobicContact CE1-CG 4.46Å; F1872-W1876 HydrophobicContact CE2-CD2 4.48Å; F1872-W1876 AromaticContact CE2-CE3 3.83Å; F1872-W1876 HydrophobicContact CE2-CE3 3.83Å; F1872-W1876 HydrophobicContact CE2-CZ3 4.36Å; F1872-W1876 HydrophobicContact CZ-CB 4.48Å; F1872-W1876 AromaticContact CZ-CD2 3.96Å; F1872-W1876 HydrophobicContact CZ-CD2 3.96Å; F1872-W1876 AromaticContact CZ-CE3 3.69Å; F1872-W1876 HydrophobicContact CZ-CE3 3.69Å; F1872-W1876 HydrophobicContact CZ-CG 4.32Å; F1872-W1876 HydrophobicContact CZ-CZ3 4.25Å; F1872-W1876 WeakPolarHBondContact O-CB 3.2Å; F1872-W1876 PolarHBondContact O-N 2.9Å
1873L86.8Confident87Confident14 Ų1444.7 Ų44.77%0.07323%0.234CC..Hα-helixtrans-66.4-39.5-177.1179.8140.6000113.1M1869 I1870 A1871 V1877 L1898 Y1899 K1902 F1906M1869-L1873 WeakPolarHBondContact O-CB 3.48Å; M1869-L1873 PolarHBondContact O-N 3.38Å; I1870-L1873 PolarHBondContact O-N 3.43Å; A1871-L1873 PolarHBondContact O-N 3.07Å; L1873-V1877 HydrophobicContact CG-CG2 4.27Å; L1873-V1877 WeakPolarHBondContact O-CB 3.34Å; L1873-V1877 WeakPolarHBondContact O-CG2 3.3Å; L1873-V1877 PolarHBondContact O-N 3.12Å; L1873-L1898 HydrophobicContact CD1-CD2 4.34Å; L1873-Y1899 HydrophobicContact CD2-CD2 3.34Å; L1873-Y1899 HydrophobicContact CD2-CE2 3.52Å; L1873-Y1899 HydrophobicContact CD2-CG 4.39Å; L1873-K1902 HydrophobicContact CD1-CB 3.7Å; L1873-K1902 HydrophobicContact CD1-CG 3.49Å; L1873-K1902 VanDerWaalsContact CD1-CG 3.49Å; L1873-F1906 HydrophobicContact CB-CE2 4.37Å; L1873-F1906 HydrophobicContact CD1-CE2 4.07Å; L1873-F1906 HydrophobicContact CD1-CZ 4.4Å; L1873-F1906 HydrophobicContact CD2-CE2 4.28Å; L1873-F1906 HydrophobicContact CG-CE2 4.48Å
1874H86.8Confident86.7Confident14 Ų1447.8 Ų47.87%0.06525%0.249CC..Hα-helixtrans-67.7-43176.7-73.684.6000111.8I1870 A1871 F1872 F1878 Y1899I1870-H1874 PolarHBondContact O-N 2.94Å; I1870-H1874 VanDerWaalsContact O-N 3.12Å; I1870-H1874 PolarHBondContact O-ND1 3.11Å; A1871-H1874 PolarHBondContact O-N 3.32Å; F1872-H1874 PolarHBondContact O-N 2.98Å; H1874-F1878 HydrophobicContact CB-CD2 4.49Å; H1874-F1878 AromaticContact CD2-CE2 3.86Å; H1874-F1878 WeakPolarHBondContact O-CB 3.31Å; H1874-F1878 WeakPolarHBondContact O-CD2 3.48Å; H1874-F1878 PolarHBondContact O-N 3.26Å; H1874-F1878 VanDerWaalsContact O-N 3.14Å; H1874-Y1899 AromaticContact CD2-CE2 3.81Å; H1874-Y1899 AromaticContact NE2-CE2 3.56Å; H1874-Y1899 AromaticContact NE2-CZ 3.58Å; H1874-Y1899 PolarHBondContact NE2-OH 2.9Å
1875I86.9Confident86.1Confident94 Ų9443.8 Ų43.848%0.48223%0.229SC..Hα-helixtrans-64.2-44.7175.6-68.6161.5000110.4A1871 F1872 L1879 V1880A1871-I1875 WeakPolarHBondContact O-CD1 3.41Å; A1871-I1875 WeakPolarHBondContact O-CG1 3.25Å; A1871-I1875 PolarHBondContact O-N 3.46Å; A1871-I1875 VanDerWaalsContact O-N 3.08Å; F1872-I1875 PolarHBondContact O-N 3.31Å; I1875-L1879 WeakPolarHBondContact O-CB 3.46Å; I1875-L1879 PolarHBondContact O-N 2.89Å; I1875-V1880 HydrophobicContact CG2-CG2 4.11Å; I1875-V1880 PolarHBondContact O-N 3.48Å
1876W86.5Confident85.5Confident45 Ų4550.2 Ų50.217%0.1725%0.253CS..Iπ-helixtrans-66.2-47.9-177.5-167.3-92.2000112.4V1838 M1839 F1872 V1880 L1881V1838-W1876 HydrophobicContact CG1-CH2 3.9Å; V1838-W1876 HydrophobicContact CG1-CZ2 4.21Å; M1839-W1876 HydrophobicContact CG-CZ2 4.28Å; M1839-W1876 PolarHBondContact SD-NE1 3.49Å; F1872-W1876 HydrophobicContact CE1-CB 4.44Å; F1872-W1876 HydrophobicContact CE1-CG 4.46Å; F1872-W1876 HydrophobicContact CE2-CD2 4.48Å; F1872-W1876 AromaticContact CE2-CE3 3.83Å; F1872-W1876 HydrophobicContact CE2-CE3 3.83Å; F1872-W1876 HydrophobicContact CE2-CZ3 4.36Å; F1872-W1876 HydrophobicContact CZ-CB 4.48Å; F1872-W1876 AromaticContact CZ-CD2 3.96Å; F1872-W1876 HydrophobicContact CZ-CD2 3.96Å; F1872-W1876 AromaticContact CZ-CE3 3.69Å; F1872-W1876 HydrophobicContact CZ-CE3 3.69Å; F1872-W1876 HydrophobicContact CZ-CG 4.32Å; F1872-W1876 HydrophobicContact CZ-CZ3 4.25Å; F1872-W1876 WeakPolarHBondContact O-CB 3.2Å; F1872-W1876 PolarHBondContact O-N 2.9Å; W1876-V1880 HydrophobicContact CD2-CB 4.46Å; W1876-V1880 HydrophobicContact CD2-CG1 4.44Å; W1876-V1880 HydrophobicContact CE3-CB 4.28Å; W1876-V1880 HydrophobicContact CE3-CG1 4.08Å; W1876-V1880 HydrophobicContact CE3-CG2 4.42Å; W1876-V1880 HydrophobicContact CH2-CG1 4.49Å; W1876-V1880 HydrophobicContact CZ3-CG1 4.11Å; W1876-L1881 WeakPolarHBondContact O-CB 3.29Å; W1876-L1881 PolarHBondContact O-N 2.72Å
1877V84.7Confident84.8Confident8 Ų855.5 Ų55.55%0.04827%0.272CS..Iπ-helixtrans-76.9-37.1-174.6175.30000113.1L1873 P1882 Y1899L1873-V1877 HydrophobicContact CG-CG2 4.27Å; L1873-V1877 WeakPolarHBondContact O-CB 3.34Å; L1873-V1877 WeakPolarHBondContact O-CG2 3.3Å; L1873-V1877 PolarHBondContact O-N 3.12Å; V1877-P1882 VanDerWaalsContact O-CD 3.32Å; V1877-P1882 WeakPolarHBondContact O-CD 3.36Å; V1877-P1882 WeakPolarHBondContact O-CG 3.35Å; V1877-Y1899 HydrophobicContact CG1-CD2 4.38Å
1878F83.9Confident84.1Confident32 Ų3254.4 Ų54.414%0.1427%0.268CS..Iπ-helixtrans-97.5-22.1-175.1-62.8-67.2000114.8Q1588 L1597 H1874 A1889 Y1899Q1588-F1878 HydrophobicContact CG-CE1 4.31Å; Q1588-F1878 HydrophobicContact CG-CE2 4.09Å; Q1588-F1878 HydrophobicContact CG-CZ 3.62Å; L1597-F1878 HydrophobicContact CD1-CD2 4.22Å; L1597-F1878 HydrophobicContact CD1-CE2 4.33Å; H1874-F1878 HydrophobicContact CB-CD2 4.49Å; H1874-F1878 AromaticContact CD2-CE2 3.86Å; H1874-F1878 WeakPolarHBondContact O-CB 3.31Å; H1874-F1878 WeakPolarHBondContact O-CD2 3.48Å; H1874-F1878 PolarHBondContact O-N 3.26Å; H1874-F1878 VanDerWaalsContact O-N 3.14Å; F1878-A1889 HydrophobicContact CD1-CB 4.02Å; F1878-A1889 HydrophobicContact CE1-CB 4.34Å; F1878-Y1899 AromaticContact CE2-CD2 3.93Å; F1878-Y1899 HydrophobicContact CE2-CD2 3.93Å; F1878-Y1899 AromaticContact CE2-CE2 3.44Å; F1878-Y1899 HydrophobicContact CE2-CE2 3.44Å; F1878-Y1899 VanDerWaalsContact CE2-CE2 3.44Å; F1878-Y1899 AromaticContact CE2-CZ 3.9Å; F1878-Y1899 HydrophobicContact CZ-CD2 4.05Å; F1878-Y1899 HydrophobicContact CZ-CE1 4.42Å; F1878-Y1899 AromaticContact CZ-CE2 3.82Å; F1878-Y1899 HydrophobicContact CZ-CE2 3.82Å
1879L84.3Confident83.3Confident68 Ų6849.8 Ų49.836%0.35625%0.246SC..Iπ-helixtrans-115.7-53.8-178.5-55.8174.5000112.7L1662 I1875 N1883L1662-L1879 HydrophobicContact CD1-CD2 4.14Å; I1875-L1879 WeakPolarHBondContact O-CB 3.46Å; I1875-L1879 PolarHBondContact O-N 2.89Å; L1879-N1883 WeakPolarHBondContact O-CB 3.48Å; L1879-N1883 PolarHBondContact O-N 3.4Å
1880V85.5Confident82.8Confident45 Ų4550 Ų5027%0.27325%0.248SC..Iπ-helixtrans-72.9-52.5-173.2-177.20000111.8I1875 W1876 N1883 M1884I1875-V1880 HydrophobicContact CG2-CG2 4.11Å; I1875-V1880 PolarHBondContact O-N 3.48Å; W1876-V1880 HydrophobicContact CD2-CB 4.46Å; W1876-V1880 HydrophobicContact CD2-CG1 4.44Å; W1876-V1880 HydrophobicContact CE3-CB 4.28Å; W1876-V1880 HydrophobicContact CE3-CG1 4.08Å; W1876-V1880 HydrophobicContact CE3-CG2 4.42Å; W1876-V1880 HydrophobicContact CH2-CG1 4.49Å; W1876-V1880 HydrophobicContact CZ3-CG1 4.11Å; V1880-N1883 PolarHBondContact O-N 3.44Å; V1880-M1884 HydrophobicContact CG1-CG 4.22Å; V1880-M1884 HydrophobicContact CG1-SD 3.79Å; V1880-M1884 WeakPolarHBondContact O-CB 3.46Å; V1880-M1884 WeakPolarHBondContact O-CG 3.49Å; V1880-M1884 PolarHBondContact O-N 3.11Å
1881L83.3Confident82.2Confident7 Ų753.1 Ų53.14%0.03727%0.27CS..Hα-helixtrans-63.1-42.4-175.6-174.570.8000112.9F1815 W1876 M1884 T1885 A1895F1815-L1881 HydrophobicContact CD1-CD1 4.15Å; F1815-L1881 HydrophobicContact CD1-CD2 4.27Å; F1815-L1881 HydrophobicContact CE1-CD2 4.34Å; W1876-L1881 WeakPolarHBondContact O-CB 3.29Å; W1876-L1881 PolarHBondContact O-N 2.72Å; L1881-M1884 PolarHBondContact O-N 3.33Å; L1881-T1885 HydrophobicContact CD1-CG2 3.75Å; L1881-T1885 HydrophobicContact CG-CG2 4.28Å; L1881-T1885 WeakPolarHBondContact O-CB 3.25Å; L1881-T1885 WeakPolarHBondContact O-CG2 3.44Å; L1881-T1885 PolarHBondContact O-N 3.21Å; L1881-T1885 PolarHBondContact O-OG1 3Å; L1881-A1895 HydrophobicContact CD2-CB 3.76Å
1882P82.1Confident81.9Confident6 Ų651.3 Ų51.34%0.03925%0.253CS..Hα-helixtrans-67.3-36.3177.3-2438.1000112.8P1656 V1877 R1886 R1887 A1889P1656-P1882 HydrophobicContact CB-CB 4.08Å; V1877-P1882 VanDerWaalsContact O-CD 3.32Å; V1877-P1882 WeakPolarHBondContact O-CD 3.36Å; V1877-P1882 WeakPolarHBondContact O-CG 3.35Å; P1882-R1886 VanDerWaalsContact O-CA 3.29Å; P1882-R1886 WeakPolarHBondContact O-CA 3.41Å; P1882-R1886 PolarHBondContact O-N 3.41Å; P1882-R1887 VanDerWaalsContact CA-O 3.26Å; P1882-R1887 WeakPolarHBondContact CA-O 3.25Å; P1882-R1887 WeakPolarHBondContact CB-O 3.36Å; P1882-A1889 HydrophobicContact CG-CB 4.19Å
1883N83.6Confident81.7Confident82 Ų8252.5 Ų52.544%0.43926%0.26SS..Hα-helixtrans-65.9-45.3174.9-172.132.3000111.7L1879 V1880L1879-N1883 WeakPolarHBondContact O-CB 3.48Å; L1879-N1883 PolarHBondContact O-N 3.4Å; V1880-N1883 PolarHBondContact O-N 3.44Å
1884M81.8Confident81.7Confident98 Ų9853.4 Ų53.448%0.48327%0.266SS..Hα-helixtrans-71.4-32.2179.7-71.4-171.676.300114.4T1835 V1880 L1881T1835-M1884 HydrophobicContact CG2-CE 3.77Å; T1835-M1884 HydrophobicContact CG2-SD 4.09Å; V1880-M1884 HydrophobicContact CG1-CG 4.22Å; V1880-M1884 HydrophobicContact CG1-SD 3.79Å; V1880-M1884 WeakPolarHBondContact O-CB 3.46Å; V1880-M1884 WeakPolarHBondContact O-CG 3.49Å; V1880-M1884 PolarHBondContact O-N 3.11Å; L1881-M1884 PolarHBondContact O-N 3.33Å
1885T78.1Confident81.5Confident11 Ų1152.9 Ų52.97%0.06726%0.264CS..Hα-helixtrans-99.7-6.1-176.960.20000114F1815 L1881 R1887F1815-T1885 WeakPolarHBondContact O-CG2 3.37Å; L1881-T1885 HydrophobicContact CD1-CG2 3.75Å; L1881-T1885 HydrophobicContact CG-CG2 4.28Å; L1881-T1885 WeakPolarHBondContact O-CB 3.25Å; L1881-T1885 WeakPolarHBondContact O-CG2 3.44Å; L1881-T1885 PolarHBondContact O-N 3.21Å; L1881-T1885 PolarHBondContact O-OG1 3Å; T1885-R1887 PolarHBondContact O-N 3.38Å; T1885-R1887 PolarHBondContact OG1-N 3.44Å
1886R77.9Confident81.5Confident154 Ų15449.5 Ų49.558%0.58125%0.247SC*.SBendtrans5218.4-168.9-58.8-62-173.3165.5-0.8114.5P1882P1882-R1886 VanDerWaalsContact O-CA 3.29Å; P1882-R1886 WeakPolarHBondContact O-CA 3.41Å; P1882-R1886 PolarHBondContact O-N 3.41Å
1887R75.2Confident81.5Confident115 Ų11549.1 Ų49.143%0.43425%0.253SS..SBendtrans-113.6127.3177.9-69.9177.3178.4-178.9-0.5109.6P1882 T1885P1882-R1887 VanDerWaalsContact CA-O 3.26Å; P1882-R1887 WeakPolarHBondContact CA-O 3.25Å; P1882-R1887 WeakPolarHBondContact CB-O 3.36Å; T1885-R1887 PolarHBondContact O-N 3.38Å; T1885-R1887 PolarHBondContact OG1-N 3.44Å
1888S73.8Confident81.7Confident41 Ų4149.5 Ų49.529%0.28725%0.254SS..  trans-55.4145.8173.972.80000111.5I1890 S1891 N1892S1888-I1890 PolarHBondContact O-N 3.14Å; S1888-S1891 PolarHBondContact N-OG 2.86Å; S1888-S1891 PolarHBondContact O-N 3.21Å; S1888-S1891 PolarHBondContact O-OG 3.29Å; S1888-S1891 PolarHBondContact OG-N 3.13Å; S1888-S1891 PolarHBondContact OG-OG 3.2Å; S1888-S1891 VanDerWaalsContact OG-OG 3.05Å; S1888-N1892 PolarHBondContact O-N 2.7Å
1889A74.4Confident82Confident18 Ų1848 Ų4815%0.14925%0.248CC..THydrogen-bonded Turntrans-57-24.917500000112.8F1878 P1882 S1891 N1892 Q1896F1878-A1889 HydrophobicContact CD1-CB 4.02Å; F1878-A1889 HydrophobicContact CE1-CB 4.34Å; P1882-A1889 HydrophobicContact CG-CB 4.19Å; A1889-S1891 VanDerWaalsContact C-N 3.35Å; A1889-N1892 PolarHBondContact O-N 3.32Å; A1889-Q1896 PolarHBondContact O-NE2 3.05Å
1890I77.5Confident82.2Confident39 Ų3946.2 Ų46.220%0.224%0.24CC..THydrogen-bonded Turntrans-75.1-21.5179.1-50.5167.9000112.2T1591 R1668 S1888 Q1896T1591-I1890 WeakPolarHBondContact O-CD1 3.32Å; R1668-I1890 VanDerWaalsContact NH2-CD1 3.26Å; S1888-I1890 PolarHBondContact O-N 3.14Å; I1890-Q1896 VanDerWaalsContact CA-NE2 3.32Å; I1890-Q1896 PolarHBondContact O-NE2 2.96Å
1891S77.8Confident82.5Confident66 Ų6646 Ų4646%0.46224%0.237SC..THydrogen-bonded Turntrans-95.6-7.9174.656.40000114S1888 A1889S1888-S1891 PolarHBondContact N-OG 2.86Å; S1888-S1891 PolarHBondContact O-N 3.21Å; S1888-S1891 PolarHBondContact O-OG 3.29Å; S1888-S1891 PolarHBondContact OG-N 3.13Å; S1888-S1891 PolarHBondContact OG-OG 3.2Å; S1888-S1891 VanDerWaalsContact OG-OG 3.05Å; A1889-S1891 VanDerWaalsContact C-N 3.35Å
1892N81.5Confident82.8Confident8 Ų845.9 Ų45.94%0.04324%0.236CC..  trans-101.586.3-178.5-167.4-25000112.2A1814 S1888 A1889 V1894 A1895 Q1896A1814-N1892 PolarHBondContact O-ND2 2.93Å; S1888-N1892 PolarHBondContact O-N 2.7Å; A1889-N1892 PolarHBondContact O-N 3.32Å; N1892-V1894 PolarHBondContact O-N 3.45Å; N1892-V1894 PolarHBondContact OD1-N 2.89Å; N1892-A1895 HydrophobicContact CB-CB 3.95Å; N1892-A1895 PolarHBondContact O-N 3.44Å; N1892-A1895 VanDerWaalsContact O-N 3.13Å; N1892-A1895 PolarHBondContact OD1-N 3.02Å; N1892-A1895 VanDerWaalsContact OD1-N 3.12Å; N1892-Q1896 WeakPolarHBondContact O-CG 3.45Å; N1892-Q1896 PolarHBondContact O-N 3.06Å
1893H84.3Confident83.2Confident137 Ų13745.6 Ų45.663%0.63423%0.234SC*.Hα-helixtrans-59.5-28.3-178.9-62.4-49.2000114.8Q1896 A1897H1893-Q1896 PolarHBondContact ND1-OE1 2.7Å; H1893-Q1896 PolarHBondContact O-N 3.46Å; H1893-A1897 WeakPolarHBondContact O-CB 3.29Å; H1893-A1897 PolarHBondContact O-N 3.01Å
1894V85.9Confident83.4Confident33 Ų3343.9 Ų43.920%0.223%0.228CC..Hα-helixtrans-71.5-43.8176.3-177.80000110.2I1807 A1814 F1815 N1892 Q1896 A1897 L1898I1807-V1894 HydrophobicContact CG2-CG1 4.03Å; A1814-V1894 HydrophobicContact CB-CB 3.76Å; A1814-V1894 HydrophobicContact CB-CG1 4.48Å; A1814-V1894 HydrophobicContact CB-CG2 3.49Å; A1814-V1894 VanDerWaalsContact CB-CG2 3.49Å; F1815-V1894 HydrophobicContact CE2-CG1 3.54Å; F1815-V1894 HydrophobicContact CZ-CB 4.42Å; F1815-V1894 HydrophobicContact CZ-CG1 3.57Å; N1892-V1894 PolarHBondContact O-N 3.45Å; N1892-V1894 PolarHBondContact OD1-N 2.89Å; V1894-Q1896 VanDerWaalsContact C-N 3.3Å; V1894-Q1896 PolarHBondContact O-N 3.39Å; V1894-A1897 PolarHBondContact O-N 3.38Å; V1894-L1898 WeakPolarHBondContact O-CB 3.5Å; V1894-L1898 PolarHBondContact O-N 3.46Å
1895A83.1Confident83.9Confident3 Ų339.2 Ų39.23%0.02521%0.205CC..Hα-helixtrans-63.2-36.1173.800000112L1881 N1892 Y1899L1881-A1895 HydrophobicContact CD2-CB 3.76Å; N1892-A1895 HydrophobicContact CB-CB 3.95Å; N1892-A1895 PolarHBondContact O-N 3.44Å; N1892-A1895 VanDerWaalsContact O-N 3.13Å; N1892-A1895 PolarHBondContact OD1-N 3.02Å; N1892-A1895 VanDerWaalsContact OD1-N 3.12Å; A1895-Y1899 WeakPolarHBondContact O-CB 3.48Å; A1895-Y1899 PolarHBondContact O-N 3.49Å
1896Q86.5Confident84.5Confident24 Ų2438.7 Ų38.711%0.11220%0.202CC..Hα-helixtrans-62.5-51.3172.9-67166.84.200111.7V1589 A1889 I1890 N1892 H1893 V1894 L1898 Y1899 V1900V1589-Q1896 HydrophobicContact CG1-CB 3.78Å; V1589-Q1896 HydrophobicContact CG1-CG 3.82Å; A1889-Q1896 PolarHBondContact O-NE2 3.05Å; I1890-Q1896 VanDerWaalsContact CA-NE2 3.32Å; I1890-Q1896 PolarHBondContact O-NE2 2.96Å; N1892-Q1896 WeakPolarHBondContact O-CG 3.45Å; N1892-Q1896 PolarHBondContact O-N 3.06Å; H1893-Q1896 PolarHBondContact ND1-OE1 2.7Å; H1893-Q1896 PolarHBondContact O-N 3.46Å; V1894-Q1896 VanDerWaalsContact C-N 3.3Å; V1894-Q1896 PolarHBondContact O-N 3.39Å; Q1896-L1898 VanDerWaalsContact C-N 3.29Å; Q1896-L1898 PolarHBondContact O-N 3.11Å; Q1896-Y1899 PolarHBondContact O-N 3.35Å; Q1896-V1900 VanDerWaalsContact O-CG2 3.31Å; Q1896-V1900 WeakPolarHBondContact O-CG2 3.41Å; Q1896-V1900 PolarHBondContact O-N 3.49Å
1897A86.6Confident85Confident37 Ų3732.7 Ų32.731%0.30618%0.181SC..Hα-helixtrans-58.7-42.3178.400000111.7I1807 H1893 V1894 V1900 I1901I1807-A1897 HydrophobicContact CG2-CB 4.48Å; H1893-A1897 WeakPolarHBondContact O-CB 3.29Å; H1893-A1897 PolarHBondContact O-N 3.01Å; V1894-A1897 PolarHBondContact O-N 3.38Å; A1897-V1900 PolarHBondContact O-N 3.4Å; A1897-I1901 WeakPolarHBondContact O-CB 3.24Å; A1897-I1901 WeakPolarHBondContact O-CG1 3.21Å; A1897-I1901 PolarHBondContact O-N 3.19Å
1898L88.6Confident85.6Confident15 Ų1528.3 Ų28.38%0.07917%0.167CC..Hα-helixtrans-62.1-47.4174.8-173.5154.9000111.8M1808 F1815 M1839 L1873 V1894 Q1896 V1900 I1901 K1902M1808-L1898 HydrophobicContact CG-CD1 3.48Å; M1808-L1898 VanDerWaalsContact CG-CD1 3.48Å; M1808-L1898 HydrophobicContact SD-CD1 3.93Å; F1815-L1898 HydrophobicContact CZ-CD1 4.17Å; M1839-L1898 HydrophobicContact CE-CD1 3.57Å; L1873-L1898 HydrophobicContact CD1-CD2 4.34Å; V1894-L1898 WeakPolarHBondContact O-CB 3.5Å; V1894-L1898 PolarHBondContact O-N 3.46Å; Q1896-L1898 VanDerWaalsContact C-N 3.29Å; Q1896-L1898 PolarHBondContact O-N 3.11Å; L1898-V1900 PolarHBondContact O-N 3.33Å; L1898-I1901 PolarHBondContact O-N 2.97Å; L1898-K1902 VanDerWaalsContact O-CB 3.25Å; L1898-K1902 WeakPolarHBondContact O-CB 3.42Å; L1898-K1902 PolarHBondContact O-N 2.84Å
1899Y89.3Confident86.4Confident2 Ų226.4 Ų26.41%0.00815%0.154CC..Hα-helixtrans-60.1-44.1177.5179-87.7000111.8I1585 V1589 L1873 H1874 V1877 F1878 A1895 Q1896 S1903I1585-Y1899 HydrophobicContact CG2-CD1 4.4Å; I1585-Y1899 HydrophobicContact CG2-CE1 3.96Å; V1589-Y1899 HydrophobicContact CG2-CD1 3.35Å; V1589-Y1899 HydrophobicContact CG2-CE1 3.73Å; V1589-Y1899 HydrophobicContact CG2-CG 4.4Å; L1873-Y1899 HydrophobicContact CD2-CD2 3.34Å; L1873-Y1899 HydrophobicContact CD2-CE2 3.52Å; L1873-Y1899 HydrophobicContact CD2-CG 4.39Å; H1874-Y1899 AromaticContact CD2-CE2 3.81Å; H1874-Y1899 AromaticContact NE2-CE2 3.56Å; H1874-Y1899 AromaticContact NE2-CZ 3.58Å; H1874-Y1899 PolarHBondContact NE2-OH 2.9Å; V1877-Y1899 HydrophobicContact CG1-CD2 4.38Å; F1878-Y1899 AromaticContact CE2-CD2 3.93Å; F1878-Y1899 HydrophobicContact CE2-CD2 3.93Å; F1878-Y1899 AromaticContact CE2-CE2 3.44Å; F1878-Y1899 HydrophobicContact CE2-CE2 3.44Å; F1878-Y1899 VanDerWaalsContact CE2-CE2 3.44Å; F1878-Y1899 AromaticContact CE2-CZ 3.9Å; F1878-Y1899 HydrophobicContact CZ-CD2 4.05Å; F1878-Y1899 HydrophobicContact CZ-CE1 4.42Å; F1878-Y1899 AromaticContact CZ-CE2 3.82Å; F1878-Y1899 HydrophobicContact CZ-CE2 3.82Å; A1895-Y1899 WeakPolarHBondContact O-CB 3.48Å; A1895-Y1899 PolarHBondContact O-N 3.49Å; Q1896-Y1899 PolarHBondContact O-N 3.35Å; Y1899-S1903 WeakPolarHBondContact O-CB 3.31Å; Y1899-S1903 PolarHBondContact O-N 3.07Å; Y1899-S1903 PolarHBondContact O-OG 2.87Å
1900V89.3Confident87Confident29 Ų2925.5 Ų25.518%0.17615%0.146CC..Hα-helixtrans-62.3-50.8178.2171.70000111.1M1586 V1589 Q1896 A1897 L1898 S1903 C1904M1586-V1900 HydrophobicContact CE-CB 4.2Å; M1586-V1900 HydrophobicContact CE-CG1 3.67Å; M1586-V1900 HydrophobicContact CE-CG2 3.42Å; M1586-V1900 VanDerWaalsContact CE-CG2 3.42Å; V1589-V1900 HydrophobicContact CG1-CG2 4.34Å; V1589-V1900 HydrophobicContact CG2-CG2 3.72Å; Q1896-V1900 VanDerWaalsContact O-CG2 3.31Å; Q1896-V1900 WeakPolarHBondContact O-CG2 3.41Å; Q1896-V1900 PolarHBondContact O-N 3.49Å; A1897-V1900 PolarHBondContact O-N 3.4Å; L1898-V1900 PolarHBondContact O-N 3.33Å; V1900-S1903 WeakPolarHBondContact O-CB 3.4Å; V1900-S1903 PolarHBondContact O-N 3.15Å; V1900-C1904 PolarHBondContact O-N 3.16Å; V1900-C1904 PolarHBondContact O-SG 2.94Å
1901I91.1Very high87.4Confident42 Ų4227.2 Ų27.222%0.21515%0.15CC..Hα-helixtrans-72.6-36.6-173.5-68.2166.8000110.8I1800 I1803 I1807 A1897 L1898 S1903 C1904 Y1905I1800-I1901 HydrophobicContact CG2-CG2 3.61Å; I1800-I1901 VanDerWaalsContact CG2-O 3.31Å; I1800-I1901 WeakPolarHBondContact CG2-O 3.3Å; I1803-I1901 HydrophobicContact CG2-CD1 4.15Å; I1803-I1901 HydrophobicContact CG2-CG2 4.13Å; I1807-I1901 HydrophobicContact CD1-CD1 3.26Å; A1897-I1901 WeakPolarHBondContact O-CB 3.24Å; A1897-I1901 WeakPolarHBondContact O-CG1 3.21Å; A1897-I1901 PolarHBondContact O-N 3.19Å; L1898-I1901 PolarHBondContact O-N 2.97Å; I1901-S1903 VanDerWaalsContact C-N 3.33Å; I1901-C1904 WeakPolarHBondContact O-CB 3.44Å; I1901-C1904 PolarHBondContact O-N 3.09Å; I1901-Y1905 PolarHBondContact O-N 2.89Å
1902K90.7Very high87.9Confident3 Ų324.1 Ų24.11%0.01313%0.129CC..Hα-helixtrans-71.5-26.6171.8-16063.9173167.80112.3D1801 L1873 L1898 Y1905 F1906D1801-K1902 IonicContact OD1-NZ 2.78Å; D1801-K1902 PolarHBondContact OD1-NZ 3.23Å; D1801-K1902 IonicContact OD2-NZ 3.05Å; D1801-K1902 PolarHBondContact OD2-NZ 3.47Å; L1873-K1902 HydrophobicContact CD1-CB 3.7Å; L1873-K1902 HydrophobicContact CD1-CG 3.49Å; L1873-K1902 VanDerWaalsContact CD1-CG 3.49Å; L1898-K1902 VanDerWaalsContact O-CB 3.25Å; L1898-K1902 WeakPolarHBondContact O-CB 3.42Å; L1898-K1902 PolarHBondContact O-N 2.84Å; K1902-Y1905 HydrophobicContact CD-CD1 3.97Å; K1902-Y1905 HydrophobicContact CD-CG 4.06Å; K1902-Y1905 WeakPolarHBondContact O-CB 3.48Å; K1902-Y1905 PolarHBondContact O-N 3.48Å; K1902-F1906 HydrophobicContact CG-CE2 4.03Å; K1902-F1906 HydrophobicContact CG-CZ 4.01Å; K1902-F1906 WeakPolarHBondContact O-CD2 3.27Å; K1902-F1906 WeakPolarHBondContact O-CG 3.32Å; K1902-F1906 PolarHBondContact O-N 3.27Å
1903S89.8Confident88.1Confident0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-68.1-37.6167.5-61.40000112.2Y1899 V1900 I1901 Y1905 F1906 L1907Y1899-S1903 WeakPolarHBondContact O-CB 3.31Å; Y1899-S1903 PolarHBondContact O-N 3.07Å; Y1899-S1903 PolarHBondContact O-OG 2.87Å; V1900-S1903 WeakPolarHBondContact O-CB 3.4Å; V1900-S1903 PolarHBondContact O-N 3.15Å; I1901-S1903 VanDerWaalsContact C-N 3.33Å; S1903-Y1905 VanDerWaalsContact C-N 3.35Å; S1903-F1906 PolarHBondContact O-N 3.33Å; S1903-L1907 WeakPolarHBondContact O-CG 3.42Å; S1903-L1907 PolarHBondContact O-N 3.49Å
1904C89.1Confident88Confident46 Ų4620.3 Ų20.331%0.31111%0.108SC..Hα-helixtrans-61.7-41.3169-66.90000111.7V1900 I1901 F1906 L1907 V1908V1900-C1904 PolarHBondContact O-N 3.16Å; V1900-C1904 PolarHBondContact O-SG 2.94Å; I1901-C1904 WeakPolarHBondContact O-CB 3.44Å; I1901-C1904 PolarHBondContact O-N 3.09Å; C1904-F1906 VanDerWaalsContact C-N 3.34Å; C1904-F1906 PolarHBondContact O-N 3.49Å; C1904-L1907 PolarHBondContact O-N 3.21Å; C1904-V1908 WeakPolarHBondContact O-CG2 3.45Å; C1904-V1908 PolarHBondContact O-N 2.79Å
1905Y91.9Very high87.6Confident0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-57.2-45170.3169.5-84.1000111.6M1797 D1801 D1850 K1862 Y1865 I1901 K1902 S1903 L1907 V1908 S1909M1797-Y1905 HydrophobicContact CB-CD2 4.14Å; M1797-Y1905 HydrophobicContact CB-CE2 3.91Å; M1797-Y1905 HydrophobicContact CE-CE2 4Å; D1801-Y1905 VanDerWaalsContact OD2-CE2 3.22Å; D1801-Y1905 WeakPolarHBondContact OD2-CE2 3.38Å; D1850-Y1905 PolarHBondContact OD2-OH 3.5Å; K1862-Y1905 PolarHBondContact NZ-OH 3.29Å; Y1865-Y1905 HydrophobicContact CE1-CE1 4.34Å; Y1865-Y1905 WeakPolarHBondContact CE1-OH 3.44Å; I1901-Y1905 PolarHBondContact O-N 2.89Å; K1902-Y1905 HydrophobicContact CD-CD1 3.97Å; K1902-Y1905 HydrophobicContact CD-CG 4.06Å; K1902-Y1905 WeakPolarHBondContact O-CB 3.48Å; K1902-Y1905 PolarHBondContact O-N 3.48Å; S1903-Y1905 VanDerWaalsContact C-N 3.35Å; Y1905-L1907 VanDerWaalsContact C-N 3.34Å; Y1905-L1907 PolarHBondContact O-N 3.36Å; Y1905-V1908 PolarHBondContact O-N 2.8Å; Y1905-S1909 WeakPolarHBondContact O-CB 3.35Å; Y1905-S1909 PolarHBondContact O-N 2.92Å
1906F90.9Very high87.4Confident0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-66.4-32.3177.1-63.5-45.1000113.4L1604 Q1866 M1869 I1870 L1873 K1902 S1903 C1904 A1910L1604-F1906 HydrophobicContact CD2-CB 3.87Å; Q1866-F1906 PolarHBondContact NE2-O 3Å; M1869-F1906 HydrophobicContact CB-CE1 3.68Å; M1869-F1906 HydrophobicContact CB-CZ 3.87Å; I1870-F1906 HydrophobicContact CD1-CB 4.33Å; I1870-F1906 HydrophobicContact CD1-CD1 4.37Å; I1870-F1906 HydrophobicContact CD1-CG 4.19Å; I1870-F1906 HydrophobicContact CG1-CB 4.35Å; I1870-F1906 HydrophobicContact CG1-CD1 3.82Å; I1870-F1906 HydrophobicContact CG1-CD2 3.69Å; I1870-F1906 HydrophobicContact CG1-CE1 3.96Å; I1870-F1906 HydrophobicContact CG1-CE2 3.82Å; I1870-F1906 HydrophobicContact CG1-CG 3.7Å; I1870-F1906 HydrophobicContact CG1-CZ 3.96Å; L1873-F1906 HydrophobicContact CB-CE2 4.37Å; L1873-F1906 HydrophobicContact CD1-CE2 4.07Å; L1873-F1906 HydrophobicContact CD1-CZ 4.4Å; L1873-F1906 HydrophobicContact CD2-CE2 4.28Å; L1873-F1906 HydrophobicContact CG-CE2 4.48Å; K1902-F1906 HydrophobicContact CG-CE2 4.03Å; K1902-F1906 HydrophobicContact CG-CZ 4.01Å; K1902-F1906 WeakPolarHBondContact O-CD2 3.27Å; K1902-F1906 WeakPolarHBondContact O-CG 3.32Å; K1902-F1906 PolarHBondContact O-N 3.27Å; S1903-F1906 PolarHBondContact O-N 3.33Å; C1904-F1906 VanDerWaalsContact C-N 3.34Å; C1904-F1906 PolarHBondContact O-N 3.49Å; F1906-A1910 VanDerWaalsContact O-CB 3.3Å; F1906-A1910 WeakPolarHBondContact O-CB 3.44Å; F1906-A1910 PolarHBondContact O-N 3.33Å
1907L88.2Confident87Confident28 Ų2818.5 Ų18.515%0.14710%0.098CC..Hα-helixtrans-67.8-44.3172.1-72.2172.8000111.9Y1581 I1585 L1604 N1608 S1903 C1904 Y1905 A1910 W1911Y1581-L1907 HydrophobicContact CD2-CD2 4.44Å; I1585-L1907 HydrophobicContact CD1-CD1 3.85Å; I1585-L1907 HydrophobicContact CD1-CG 4.48Å; L1604-L1907 HydrophobicContact CD2-CD2 3.91Å; L1604-L1907 HydrophobicContact CD2-CG 4.06Å; N1608-L1907 HydrophobicContact CB-CD2 4.2Å; N1608-L1907 PolarHBondContact ND2-O 3.29Å; S1903-L1907 WeakPolarHBondContact O-CG 3.42Å; S1903-L1907 PolarHBondContact O-N 3.49Å; C1904-L1907 PolarHBondContact O-N 3.21Å; Y1905-L1907 VanDerWaalsContact C-N 3.34Å; Y1905-L1907 PolarHBondContact O-N 3.36Å; L1907-A1910 PolarHBondContact O-N 3.07Å; L1907-W1911 WeakPolarHBondContact O-CB 3.13Å; L1907-W1911 PolarHBondContact O-N 2.99Å
1908V88.1Confident86.3Confident24 Ų2417 Ų1715%0.1459%0.085CC..Hα-helixtrans-67.6-38.4175.6179.40000111L1793 I1796 M1797 I1800 C1904 Y1905 W1911 Q1912L1793-V1908 HydrophobicContact CB-CG1 3.78Å; L1793-V1908 HydrophobicContact CD1-CG1 4.17Å; L1793-V1908 HydrophobicContact CG-CG1 4.43Å; I1796-V1908 HydrophobicContact CB-CG1 4.49Å; I1796-V1908 HydrophobicContact CG2-CG1 4.23Å; I1796-V1908 HydrophobicContact CG2-CG2 4.41Å; M1797-V1908 HydrophobicContact CG-CB 4.23Å; M1797-V1908 HydrophobicContact CG-CG1 3.56Å; M1797-V1908 HydrophobicContact SD-CG1 4.35Å; I1800-V1908 HydrophobicContact CD1-CG2 4.03Å; C1904-V1908 WeakPolarHBondContact O-CG2 3.45Å; C1904-V1908 PolarHBondContact O-N 2.79Å; Y1905-V1908 PolarHBondContact O-N 2.8Å; V1908-W1911 WeakPolarHBondContact O-CB 3.48Å; V1908-W1911 PolarHBondContact O-N 2.68Å; V1908-Q1912 PolarHBondContact O-N 2.73Å
1909S89.4Confident85.2Confident0 Ų023.4 Ų23.40%012%0.115CC..Hα-helixtrans-64.4-43.7174.9-178.40000112.1K1862 Q1866 Y1905 W1911 Q1912 I1913K1862-S1909 WeakPolarHBondContact CE-OG 3.32Å; Q1866-S1909 VanDerWaalsContact OE1-C 3.29Å; Q1866-S1909 PolarHBondContact OE1-OG 2.88Å; Y1905-S1909 WeakPolarHBondContact O-CB 3.35Å; Y1905-S1909 PolarHBondContact O-N 2.92Å; S1909-W1911 VanDerWaalsContact C-N 3.3Å; S1909-W1911 PolarHBondContact O-N 2.97Å; S1909-Q1912 WeakPolarHBondContact O-CB 3.5Å; S1909-Q1912 PolarHBondContact O-N 3.19Å; S1909-I1913 WeakPolarHBondContact O-CG1 3.41Å; S1909-I1913 PolarHBondContact O-N 2.78Å
1910A87.5Confident84.1Confident0 Ų024.4 Ų24.40%012%0.12CC..Hα-helixtrans-62.7-38.2173.500000111.8N1608 L1609 F1906 L1907 I1913 R1914N1608-A1910 HydrophobicContact CB-CB 4.16Å; N1608-A1910 WeakPolarHBondContact ND2-CB 3.28Å; L1609-A1910 HydrophobicContact CD2-CB 3.91Å; L1609-A1910 HydrophobicContact CG-CB 4.25Å; F1906-A1910 VanDerWaalsContact O-CB 3.3Å; F1906-A1910 WeakPolarHBondContact O-CB 3.44Å; F1906-A1910 PolarHBondContact O-N 3.33Å; L1907-A1910 PolarHBondContact O-N 3.07Å; A1910-I1913 PolarHBondContact O-N 2.71Å; A1910-R1914 WeakPolarHBondContact O-CB 3.48Å; A1910-R1914 PolarHBondContact O-N 3.05Å
1911W86.1Confident82.8Confident75 Ų7524.1 Ų24.128%0.28412%0.119SC..Hα-helixtrans-65-39.6173.7-172.719000111.7L1793 L1907 V1908 S1909 R1914 N1915L1793-W1911 HydrophobicContact CD1-CB 3.95Å; L1793-W1911 HydrophobicContact CD1-CD2 3.52Å; L1793-W1911 HydrophobicContact CD1-CE3 3.5Å; L1793-W1911 HydrophobicContact CD1-CG 3.72Å; L1793-W1911 HydrophobicContact CD1-CZ3 4.21Å; L1793-W1911 HydrophobicContact CD2-CE3 3.96Å; L1793-W1911 HydrophobicContact CD2-CH2 4.25Å; L1793-W1911 HydrophobicContact CD2-CZ3 3.81Å; L1793-W1911 HydrophobicContact CG-CE3 4.41Å; L1907-W1911 WeakPolarHBondContact O-CB 3.13Å; L1907-W1911 PolarHBondContact O-N 2.99Å; V1908-W1911 WeakPolarHBondContact O-CB 3.48Å; V1908-W1911 PolarHBondContact O-N 2.68Å; S1909-W1911 VanDerWaalsContact C-N 3.3Å; S1909-W1911 PolarHBondContact O-N 2.97Å; W1911-R1914 VanDerWaalsContact CD1-NH2 3.33Å; W1911-R1914 PolarHBondContact O-N 2.99Å; W1911-N1915 PolarHBondContact NE1-ND2 3.32Å; W1911-N1915 VanDerWaalsContact NE1-ND2 3.11Å; W1911-N1915 WeakPolarHBondContact O-CB 3.49Å; W1911-N1915 PolarHBondContact O-N 3.11Å; W1911-N1915 VanDerWaalsContact O-N 3.1Å; W1911-N1915 PolarHBondContact O-ND2 3.49Å; W1911-N1915 PolarHBondContact O-OD1 2.97Å
1912Q87.3Confident81.3Confident1 Ų124.2 Ų24.21%0.00512%0.12CC..Hα-helixtrans-64.1-40.4173.6-171.159.635.600112.1R1791 L1793 M1797 V1908 S1909 N1915 G1916 Y1917R1791-Q1912 PolarHBondContact O-NE2 2.77Å; R1791-Q1912 PolarHBondContact O-OE1 2.86Å; R1791-Q1912 VanDerWaalsContact O-OE1 3.09Å; L1793-Q1912 HydrophobicContact CD1-CB 4.24Å; L1793-Q1912 VanDerWaalsContact CG-OE1 3.3Å; M1797-Q1912 HydrophobicContact SD-CB 4.09Å; M1797-Q1912 HydrophobicContact SD-CG 4.34Å; V1908-Q1912 PolarHBondContact O-N 2.73Å; S1909-Q1912 WeakPolarHBondContact O-CB 3.5Å; S1909-Q1912 PolarHBondContact O-N 3.19Å; Q1912-N1915 PolarHBondContact O-N 3.2Å; Q1912-G1916 PolarHBondContact NE2-O 3.49Å; Q1912-G1916 WeakPolarHBondContact O-CA 3.5Å; Q1912-G1916 PolarHBondContact O-N 3.4Å; Q1912-Y1917 HydrophobicContact CG-CD1 4.21Å; Q1912-Y1917 HydrophobicContact CG-CE1 3.71Å
1913I86.4Confident79.8Confident8 Ų826.2 Ų26.24%0.04114%0.141CC..Hα-helixtrans-64.9-44175.5-67.7168.2000110.8L1609 L1782 V1859 K1862 L1863 Q1866 S1909 A1910 N1915 G1916L1609-I1913 HydrophobicContact CD2-CB 4.3Å; L1609-I1913 HydrophobicContact CD2-CG2 4.08Å; L1782-I1913 HydrophobicContact CD1-CG2 4.39Å; L1782-I1913 HydrophobicContact CD2-CG2 4.35Å; V1859-I1913 HydrophobicContact CG1-CG2 4.15Å; K1862-I1913 HydrophobicContact CB-CG1 4.44Å; K1862-I1913 HydrophobicContact CG-CD1 4.13Å; K1862-I1913 HydrophobicContact CG-CG1 3.95Å; L1863-I1913 HydrophobicContact CB-CD1 4.26Å; L1863-I1913 HydrophobicContact CD1-CD1 4.21Å; Q1866-I1913 HydrophobicContact CB-CD1 4.18Å; Q1866-I1913 VanDerWaalsContact OE1-CD1 3.24Å; S1909-I1913 WeakPolarHBondContact O-CG1 3.41Å; S1909-I1913 PolarHBondContact O-N 2.78Å; A1910-I1913 PolarHBondContact O-N 2.71Å; I1913-N1915 VanDerWaalsContact C-N 3.28Å; I1913-N1915 PolarHBondContact O-N 2.96Å; I1913-G1916 PolarHBondContact O-N 3.39Å
1914R81.5Confident78.6Confident56 Ų5627.5 Ų27.521%0.21115%0.148CC..Hα-helixtrans-62.2-33.3179.1-169.1-177.771.9-158.67.6113.3N1608 S1610 N1611 A1910 W1911N1608-R1914 PolarHBondContact O-NH1 3.33Å; N1608-R1914 PolarHBondContact OD1-NH1 3.45Å; S1610-R1914 WeakPolarHBondContact O-CD 3.39Å; N1611-R1914 HydrophobicContact CB-CG 4.01Å; A1910-R1914 WeakPolarHBondContact O-CB 3.48Å; A1910-R1914 PolarHBondContact O-N 3.05Å; W1911-R1914 VanDerWaalsContact CD1-NH2 3.33Å; W1911-R1914 PolarHBondContact O-N 2.99Å
1915N79Confident77.3Confident6 Ų630.4 Ų30.43%0.03216%0.16CC..Hα-helixtrans-88.4-33.1179.7-63.9-5.7000112.4R1788 Y1789 W1911 Q1912 I1913R1788-N1915 PolarHBondContact NE-O 2.82Å; Y1789-N1915 VanDerWaalsContact O-CA 3.25Å; Y1789-N1915 WeakPolarHBondContact O-CA 3.41Å; Y1789-N1915 WeakPolarHBondContact O-CB 3.49Å; W1911-N1915 PolarHBondContact NE1-ND2 3.32Å; W1911-N1915 VanDerWaalsContact NE1-ND2 3.11Å; W1911-N1915 WeakPolarHBondContact O-CB 3.49Å; W1911-N1915 PolarHBondContact O-N 3.11Å; W1911-N1915 VanDerWaalsContact O-N 3.1Å; W1911-N1915 PolarHBondContact O-ND2 3.49Å; W1911-N1915 PolarHBondContact O-OD1 2.97Å; Q1912-N1915 PolarHBondContact O-N 3.2Å; I1913-N1915 VanDerWaalsContact C-N 3.28Å; I1913-N1915 PolarHBondContact O-N 2.96Å
1916G78.2Confident76.1Confident3 Ų332.3 Ų32.33%0.03117%0.17CC..  trans75.1165.9-16900000113.6Q1912 I1913Q1912-G1916 PolarHBondContact NE2-O 3.49Å; Q1912-G1916 WeakPolarHBondContact O-CA 3.5Å; Q1912-G1916 PolarHBondContact O-N 3.4Å; I1913-G1916 PolarHBondContact O-N 3.39Å
1917Y77.7Confident75Confident13 Ų1332.5 Ų32.55%0.05117%0.171CC..  trans-75.7151.7176-64.1-67.9000112.4R1788 Y1854 V1859 Q1912R1788-Y1917 PolarHBondContact NH2-O 3.48Å; R1788-Y1917 VanDerWaalsContact NH2-O 3.14Å; Y1854-Y1917 HydrophobicContact CD2-CD1 4.04Å; Y1854-Y1917 AromaticContact CD2-CE1 3.81Å; Y1854-Y1917 HydrophobicContact CD2-CE1 3.81Å; Y1854-Y1917 HydrophobicContact CE2-CD1 4.4Å; V1859-Y1917 HydrophobicContact CG2-CD2 3.79Å; V1859-Y1917 HydrophobicContact CG2-CE2 4.24Å; Q1912-Y1917 HydrophobicContact CG-CD1 4.21Å; Q1912-Y1917 HydrophobicContact CG-CE1 3.71Å
1918P73.2Confident73.9Confident7 Ų734 Ų345%0.04518%0.178CC..  trans-72.2158.4168.433.1-36.5000111.6I1790 D1792 L1920I1790-P1918 HydrophobicContact CG2-CB 4.18Å; D1792-P1918 HydrophobicContact CB-CG 4.28Å; P1918-L1920 WeakPolarHBondContact CG-O 3.38Å
1919E65.5Low72.9Confident148 Ų14835.8 Ų35.869%0.69219%0.191SC*.SBendtrans-74.8-26.1179.4-66.1-173.3168.200113.4K1857K1857-E1919 PolarHBondContact NZ-O 3.4Å
1920L64.6Low72.2Confident24 Ų2437.5 Ų37.513%0.12620%0.198CC..  trans-113.8142.9172.1-79.796.9000111.5F1324 I1327 F1384 P1918 I1922 E2368F1324-L1920 HydrophobicContact CD2-CD1 4.33Å; I1327-L1920 HydrophobicContact CD1-CD1 4.21Å; I1327-L1920 HydrophobicContact CD1-CD2 3.39Å; I1327-L1920 HydrophobicContact CD1-CG 4.42Å; I1327-L1920 HydrophobicContact CG1-CD2 4.34Å; I1327-L1920 HydrophobicContact CG2-CD2 4.28Å; F1384-L1920 HydrophobicContact CE1-CB 4.04Å; F1384-L1920 HydrophobicContact CZ-CB 3.89Å; P1918-L1920 WeakPolarHBondContact CG-O 3.38Å; L1920-I1922 HydrophobicContact CD2-CD1 3.88Å; L1920-I1922 HydrophobicContact CD2-CG1 4.31Å; L1920-E2368 VanDerWaalsContact CD2-OE2 3.31Å; L1920-E2368 WeakPolarHBondContact CD2-OE2 3.47Å; L1920-E2368 VanDerWaalsContact CG-OE2 3.3Å; L1920-E2368 WeakPolarHBondContact CG-OE2 3.16Å
1921C63.2Low71.5Confident23 Ų2338.9 Ų38.916%0.15521%0.211CC..  trans-129.427.6-175.3-74.60000112.6Y1854 K1857 G1923 E2368Y1854-C1921 PolarHBondContact OH-SG 3.18Å; K1857-C1921 VanDerWaalsContact CE-SG 3.53Å; C1921-G1923 PolarHBondContact O-N 3.12Å; C1921-E2368 PolarHBondContact N-OE1 3.34Å
1922I58.5Low70.9Confident43 Ų4339.5 Ų39.522%0.22122%0.219CC..  trans-69.8119.2-179.3-51.5-179.5000111L1920 E2368L1920-I1922 HydrophobicContact CD2-CD1 3.88Å; L1920-I1922 HydrophobicContact CD2-CG1 4.31Å; I1922-E2368 HydrophobicContact CD1-CG 4.33Å; I1922-E2368 HydrophobicContact CG1-CG 3.91Å; I1922-E2368 VanDerWaalsContact CG1-OE2 3.3Å; I1922-E2368 WeakPolarHBondContact CG1-OE2 3.47Å; I1922-E2368 PolarHBondContact N-OE1 3.1Å
1923G59.8Low70.2Confident46 Ų4644.7 Ų44.747%0.47425%0.251SS..  trans127150.3164.200000114.9C1921C1921-G1923 PolarHBondContact O-N 3.12Å
1924N64.5Low70Confident26 Ų2645.8 Ų45.814%0.13926%0.257CS..  trans-92.9134.2163.1175.46000107.3L1926 T1927 H1928 R1951N1924-L1926 PolarHBondContact O-N 3.33Å; N1924-L1926 PolarHBondContact OD1-N 3.47Å; N1924-T1927 HydrophobicContact CB-CG2 4.21Å; N1924-T1927 PolarHBondContact O-N 3.41Å; N1924-T1927 PolarHBondContact O-OG1 2.93Å; N1924-H1928 PolarHBondContact O-CD2 2.9Å; N1924-H1928 PolarHBondContact O-N 2.98Å; N1924-R1951 PolarHBondContact ND2-NH1 3.47Å
1925L62.9Low70.1Confident107 Ų10744.5 Ų44.556%0.5625%0.253SS*.G310 helixtrans-48.3-39.5176.6-177.265.9000112P1795 T1927P1795-L1925 HydrophobicContact CB-CB 4.04Å; P1795-L1925 HydrophobicContact CB-CD2 3.7Å; P1795-L1925 HydrophobicContact CB-CG 4.39Å; P1795-L1925 HydrophobicContact CG-CB 4.19Å; L1925-T1927 PolarHBondContact O-N 3.23Å
1926L64.9Low70.3Confident40 Ų4048.3 Ų48.321%0.20927%0.273CS..G310 helixtrans-68.3-17.6179.6-57.5178.2000114N1924 N1934 A1937 F1938 F1941 F1979N1924-L1926 PolarHBondContact O-N 3.33Å; N1924-L1926 PolarHBondContact OD1-N 3.47Å; L1926-N1934 WeakPolarHBondContact O-CB 3.42Å; L1926-N1934 PolarHBondContact O-ND2 3.11Å; L1926-N1934 VanDerWaalsContact O-ND2 3.09Å; L1926-A1937 HydrophobicContact CD2-CB 3.78Å; L1926-F1938 HydrophobicContact CB-CB 4.46Å; L1926-F1938 HydrophobicContact CB-CD2 4.29Å; L1926-F1941 HydrophobicContact CD1-CB 3.73Å; L1926-F1941 HydrophobicContact CD1-CD2 3.9Å; L1926-F1941 HydrophobicContact CD1-CG 3.91Å; L1926-F1979 WeakPolarHBondContact O-CZ 3.33Å
1927T68.2Low70.4Confident4 Ų449.9 Ų49.93%0.02529%0.285CS..G310 helixtrans-110.50.8-177.568.40000114.9N1924 L1925 F1938 Y1975 F1979N1924-T1927 HydrophobicContact CB-CG2 4.21Å; N1924-T1927 PolarHBondContact O-N 3.41Å; N1924-T1927 PolarHBondContact O-OG1 2.93Å; L1925-T1927 PolarHBondContact O-N 3.23Å; T1927-F1938 HydrophobicContact CG2-CD2 3.72Å; T1927-F1938 HydrophobicContact CG2-CE2 3.67Å; T1927-F1938 HydrophobicContact CG2-CG 4.44Å; T1927-F1938 HydrophobicContact CG2-CZ 4.34Å; T1927-Y1975 VanDerWaalsContact CB-OH 3.3Å; T1927-Y1975 WeakPolarHBondContact CB-OH 3.48Å; T1927-Y1975 HydrophobicContact CG2-CE1 4.13Å; T1927-Y1975 PolarHBondContact OG1-OH 3.06Å; T1927-F1979 VanDerWaalsContact CA-CE2 3.43Å; T1927-F1979 HydrophobicContact CG2-CD1 4Å; T1927-F1979 HydrophobicContact CG2-CD2 3.97Å; T1927-F1979 HydrophobicContact CG2-CE1 3.93Å; T1927-F1979 HydrophobicContact CG2-CE2 3.92Å; T1927-F1979 HydrophobicContact CG2-CG 4.02Å; T1927-F1979 HydrophobicContact CG2-CZ 3.9Å; T1927-F1979 WeakPolarHBondContact O-CE2 3.44Å
1928H64.7Low70.8Confident61 Ų6149.5 Ų49.528%0.28228%0.284SS..SBendtrans-68.4-29.3174.3-82.2-86.3000114N1924N1924-H1928 PolarHBondContact O-CD2 2.9Å; N1924-H1928 PolarHBondContact O-N 2.98Å
1929S68.7Low71.3Confident61 Ų6153.7 Ų53.743%0.42730%0.301SS..SBendtrans-124.4144.4176.290.30000112.4G1931 N1934S1929-G1931 VanDerWaalsContact C-N 3.29Å; S1929-G1931 PolarHBondContact O-N 3.18Å; S1929-N1934 VanDerWaalsContact O-CB 3.23Å; S1929-N1934 WeakPolarHBondContact O-CB 3.49Å; S1929-N1934 PolarHBondContact O-ND2 2.9Å; S1929-N1934 PolarHBondContact OG-ND2 2.7Å
1930Y75Confident72.1Confident36 Ų3650.4 Ų50.414%0.14129%0.291CS..  trans-93.538.9-174.8-52.6-65.7000112.8P1380 F1979 K1982 Q1986 L2357P1380-Y1930 HydrophobicContact CG-CE2 4.08Å; Y1930-F1979 AromaticContact CD1-CD2 3.9Å; Y1930-F1979 HydrophobicContact CD1-CD2 3.9Å; Y1930-F1979 AromaticContact CD1-CE2 3.55Å; Y1930-F1979 HydrophobicContact CD1-CE2 3.55Å; Y1930-F1979 AromaticContact CE1-CD2 3.76Å; Y1930-F1979 HydrophobicContact CE1-CD2 3.76Å; Y1930-F1979 AromaticContact CE1-CE2 3.7Å; Y1930-F1979 HydrophobicContact CE1-CE2 3.7Å; Y1930-K1982 HydrophobicContact CD1-CB 4.22Å; Y1930-K1982 HydrophobicContact CD1-CG 3.47Å; Y1930-K1982 VanDerWaalsContact CD1-CG 3.47Å; Y1930-K1982 HydrophobicContact CD2-CG 4.22Å; Y1930-K1982 HydrophobicContact CE1-CG 3.87Å; Y1930-K1982 HydrophobicContact CG-CG 3.69Å; Y1930-Q1986 WeakPolarHBondContact O-CB 3.41Å; Y1930-Q1986 WeakPolarHBondContact O-CG 2.95Å; Y1930-L2357 HydrophobicContact CE1-CD2 3.76Å; Y1930-L2357 WeakPolarHBondContact OH-CD2 3.28Å
1931G72Confident73Confident28 Ų2850.4 Ų50.429%0.28929%0.291SS..SBendtrans-88.6162.6-178.200000114.4S1929 T1933 N1934 M1935S1929-G1931 VanDerWaalsContact C-N 3.29Å; S1929-G1931 PolarHBondContact O-N 3.18Å; G1931-T1933 VanDerWaalsContact C-N 3.29Å; G1931-T1933 PolarHBondContact O-N 3.36Å; G1931-N1934 PolarHBondContact O-N 2.92Å; G1931-N1934 VanDerWaalsContact O-N 3.14Å; G1931-M1935 PolarHBondContact O-N 3.06Å
1932M74Confident73.9Confident88 Ų8852.8 Ų52.843%0.43330%0.3SS..Hα-helixtrans-57-41173.8-179.3179.6176.300112.4N1934 M1935 I1936 F1987M1932-N1934 VanDerWaalsContact C-N 3.33Å; M1932-N1934 PolarHBondContact O-N 3.05Å; M1932-M1935 PolarHBondContact O-N 3.4Å; M1932-I1936 HydrophobicContact CE-CD1 3.85Å; M1932-I1936 HydrophobicContact CG-CD1 3.96Å; M1932-I1936 WeakPolarHBondContact O-CG1 3.17Å; M1932-I1936 PolarHBondContact O-N 2.8Å; M1932-F1987 HydrophobicContact CB-CD2 4.06Å; M1932-F1987 HydrophobicContact CG-CD2 4.33Å; M1932-F1987 HydrophobicContact CG-CE2 4.5Å; M1932-F1987 HydrophobicContact SD-CD2 4.04Å; M1932-F1987 HydrophobicContact SD-CE2 3.64Å
1933T72.4Confident75Confident111 Ų11157 Ų5768%0.68132%0.323SS*.Hα-helixtrans-60.6-42.8177-43.40000111.4G1931 I1936 A1937G1931-T1933 VanDerWaalsContact C-N 3.29Å; G1931-T1933 PolarHBondContact O-N 3.36Å; T1933-I1936 PolarHBondContact O-N 3.33Å; T1933-A1937 WeakPolarHBondContact O-CB 3.27Å; T1933-A1937 PolarHBondContact O-N 2.65Å
1934N81.2Confident76Confident31 Ų3158.2 Ų58.217%0.16632%0.318CS..Hα-helixtrans-69.4-41.7178-81.631.1000111.7L1926 S1929 G1931 M1932 I1936 A1937 F1938L1926-N1934 WeakPolarHBondContact O-CB 3.42Å; L1926-N1934 PolarHBondContact O-ND2 3.11Å; L1926-N1934 VanDerWaalsContact O-ND2 3.09Å; S1929-N1934 VanDerWaalsContact O-CB 3.23Å; S1929-N1934 WeakPolarHBondContact O-CB 3.49Å; S1929-N1934 PolarHBondContact O-ND2 2.9Å; S1929-N1934 PolarHBondContact OG-ND2 2.7Å; G1931-N1934 PolarHBondContact O-N 2.92Å; G1931-N1934 VanDerWaalsContact O-N 3.14Å; M1932-N1934 VanDerWaalsContact C-N 3.33Å; M1932-N1934 PolarHBondContact O-N 3.05Å; N1934-I1936 VanDerWaalsContact C-N 3.32Å; N1934-I1936 PolarHBondContact O-N 3.44Å; N1934-A1937 PolarHBondContact O-N 2.99Å; N1934-F1938 WeakPolarHBondContact O-CB 3.17Å; N1934-F1938 PolarHBondContact O-N 3.03Å
1935M83.6Confident76.8Confident29 Ų2961.7 Ų61.714%0.14334%0.342CS..Hα-helixtrans-56.8-44.6171.9-173.6-177.255.600112G1931 M1932 K1939 C1983G1931-M1935 PolarHBondContact O-N 3.06Å; M1932-M1935 PolarHBondContact O-N 3.4Å; M1935-K1939 HydrophobicContact CG-CD 4.34Å; M1935-K1939 WeakPolarHBondContact O-CB 3.47Å; M1935-K1939 VanDerWaalsContact O-CG 3.31Å; M1935-K1939 WeakPolarHBondContact O-CG 3.2Å; M1935-K1939 PolarHBondContact O-N 3.42Å; M1935-C1983 HydrophobicContact CB-CB 3.72Å; M1935-C1983 HydrophobicContact CG-CB 4.04Å; M1935-C1983 HydrophobicContact SD-CB 4.24Å
1936I84Confident77.8Confident86 Ų8664.1 Ų64.144%0.44135%0.348SS..Hα-helixtrans-67.8-48.8179.2-68.4167.8000110.5M1932 T1933 N1934 F1938 K1939 V1940M1932-I1936 HydrophobicContact CE-CD1 3.85Å; M1932-I1936 HydrophobicContact CG-CD1 3.96Å; M1932-I1936 WeakPolarHBondContact O-CG1 3.17Å; M1932-I1936 PolarHBondContact O-N 2.8Å; T1933-I1936 PolarHBondContact O-N 3.33Å; N1934-I1936 VanDerWaalsContact C-N 3.32Å; N1934-I1936 PolarHBondContact O-N 3.44Å; I1936-F1938 VanDerWaalsContact C-N 3.31Å; I1936-F1938 PolarHBondContact O-N 3.31Å; I1936-K1939 PolarHBondContact O-N 3.27Å; I1936-V1940 HydrophobicContact CG2-CG2 4.48Å; I1936-V1940 WeakPolarHBondContact O-CG2 3.27Å; I1936-V1940 PolarHBondContact O-N 3.22Å
1937A80Confident78.7Confident35 Ų3564.1 Ų64.129%0.28935%0.348SS..Hα-helixtrans-62.8-37.1179.600000112.2L1926 T1933 N1934 V1940 F1941L1926-A1937 HydrophobicContact CD2-CB 3.78Å; T1933-A1937 WeakPolarHBondContact O-CB 3.27Å; T1933-A1937 PolarHBondContact O-N 2.65Å; N1934-A1937 PolarHBondContact O-N 2.99Å; A1937-V1940 PolarHBondContact O-N 3.01Å; A1937-F1941 WeakPolarHBondContact O-CB 3.14Å; A1937-F1941 PolarHBondContact O-N 2.95Å
1938F85.3Confident79.5Confident5 Ų564.8 Ų64.82%0.02235%0.351CS..Hα-helixtrans-69.9-39.8174.5-172.4-105.7000112.5L1926 T1927 N1934 I1936 F1941 M1942 A1976 F1979L1926-F1938 HydrophobicContact CB-CB 4.46Å; L1926-F1938 HydrophobicContact CB-CD2 4.29Å; T1927-F1938 HydrophobicContact CG2-CD2 3.72Å; T1927-F1938 HydrophobicContact CG2-CE2 3.67Å; T1927-F1938 HydrophobicContact CG2-CG 4.44Å; T1927-F1938 HydrophobicContact CG2-CZ 4.34Å; N1934-F1938 WeakPolarHBondContact O-CB 3.17Å; N1934-F1938 PolarHBondContact O-N 3.03Å; I1936-F1938 VanDerWaalsContact C-N 3.31Å; I1936-F1938 PolarHBondContact O-N 3.31Å; F1938-F1941 WeakPolarHBondContact O-CB 3.36Å; F1938-F1941 PolarHBondContact O-N 3.36Å; F1938-M1942 HydrophobicContact CD1-CG 4.47Å; F1938-M1942 HydrophobicContact CD1-SD 3.95Å; F1938-M1942 HydrophobicContact CE1-CG 4.17Å; F1938-M1942 HydrophobicContact CE1-SD 3.51Å; F1938-M1942 VanDerWaalsContact CE1-SD 3.51Å; F1938-M1942 HydrophobicContact CZ-CG 4.38Å; F1938-M1942 HydrophobicContact CZ-SD 4.17Å; F1938-M1942 WeakPolarHBondContact O-CG 3.41Å; F1938-M1942 PolarHBondContact O-N 3.29Å; F1938-A1976 HydrophobicContact CE1-CB 3.78Å; F1938-A1976 HydrophobicContact CZ-CB 3.68Å; F1938-F1979 HydrophobicContact CB-CD1 4.44Å; F1938-F1979 HydrophobicContact CB-CE1 3.88Å; F1938-F1979 AromaticContact CD1-CD1 3.53Å; F1938-F1979 HydrophobicContact CD1-CD1 3.53Å; F1938-F1979 AromaticContact CD1-CE1 3.86Å; F1938-F1979 HydrophobicContact CD1-CE1 3.86Å; F1938-F1979 HydrophobicContact CD2-CD1 4.49Å; F1938-F1979 HydrophobicContact CD2-CE1 4.43Å; F1938-F1979 AromaticContact CE1-CD1 3.81Å; F1938-F1979 HydrophobicContact CE1-CD1 3.81Å; F1938-F1979 AromaticContact CG-CD1 3.91Å; F1938-F1979 HydrophobicContact CG-CD1 3.91Å; F1938-F1979 AromaticContact CG-CE1 3.8Å; F1938-F1979 HydrophobicContact CG-CE1 3.8Å; F1938-F1979 HydrophobicContact CZ-CD1 4.41Å
1939K84.8Confident80.5Confident95 Ų9566.1 Ų66.141%0.41336%0.357SS..Hα-helixtrans-65.2-37171.3-75.8-178.6-177.7-176.70112.5M1935 I1936 M1942 N1943 N1980M1935-K1939 HydrophobicContact CG-CD 4.34Å; M1935-K1939 WeakPolarHBondContact O-CB 3.47Å; M1935-K1939 VanDerWaalsContact O-CG 3.31Å; M1935-K1939 WeakPolarHBondContact O-CG 3.2Å; M1935-K1939 PolarHBondContact O-N 3.42Å; I1936-K1939 PolarHBondContact O-N 3.27Å; K1939-M1942 PolarHBondContact O-N 2.95Å; K1939-N1943 WeakPolarHBondContact O-CB 3.39Å; K1939-N1943 PolarHBondContact O-N 3.49Å; K1939-N1943 PolarHBondContact O-ND2 2.67Å; K1939-N1943 VanDerWaalsContact O-ND2 3.11Å; K1939-N1980 WeakPolarHBondContact CE-OD1 3.43Å; K1939-N1980 WeakPolarHBondContact CG-OD1 3.32Å
1940V82.7Confident81.3Confident80 Ų8067.7 Ų67.749%0.48536%0.361SS..Hα-helixtrans-63.5-47.3171.91700000110I1936 A1937 M1942 N1943 I1944I1936-V1940 HydrophobicContact CG2-CG2 4.48Å; I1936-V1940 WeakPolarHBondContact O-CG2 3.27Å; I1936-V1940 PolarHBondContact O-N 3.22Å; A1937-V1940 PolarHBondContact O-N 3.01Å; V1940-M1942 VanDerWaalsContact C-N 3.33Å; V1940-M1942 PolarHBondContact O-N 3.37Å; V1940-N1943 PolarHBondContact O-N 3.37Å; V1940-I1944 HydrophobicContact CG1-CD1 4.43Å; V1940-I1944 WeakPolarHBondContact O-CG1 3.44Å; V1940-I1944 PolarHBondContact O-N 3.49Å; V1940-I1944 VanDerWaalsContact O-N 3.16Å
1941F83Confident81.9Confident24 Ų2468.3 Ų68.311%0.10536%0.363CS..Hα-helixtrans-54.8-44.5175.3176-86.3000112.6L1926 A1937 F1938 N1943 I1944 L1947 F1948L1926-F1941 HydrophobicContact CD1-CB 3.73Å; L1926-F1941 HydrophobicContact CD1-CD2 3.9Å; L1926-F1941 HydrophobicContact CD1-CG 3.91Å; A1937-F1941 WeakPolarHBondContact O-CB 3.14Å; A1937-F1941 PolarHBondContact O-N 2.95Å; F1938-F1941 WeakPolarHBondContact O-CB 3.36Å; F1938-F1941 PolarHBondContact O-N 3.36Å; F1941-N1943 VanDerWaalsContact C-N 3.33Å; F1941-N1943 PolarHBondContact O-N 3.15Å; F1941-I1944 PolarHBondContact O-N 3.32Å; F1941-L1947 HydrophobicContact CD2-CD2 3.64Å; F1941-L1947 HydrophobicContact CE1-CD2 4.34Å; F1941-L1947 HydrophobicContact CE2-CD2 3.14Å; F1941-L1947 HydrophobicContact CG-CD2 4.4Å; F1941-L1947 HydrophobicContact CZ-CD2 3.52Å; F1941-F1948 HydrophobicContact CE1-CD2 4.15Å
1942M81.7Confident82.6Confident72 Ų7267 Ų6736%0.35535%0.349SS..Hα-helixtrans-67.4-27.9174.6-72.4178.865.900114.1F1938 K1939 V1940 A1976F1938-M1942 HydrophobicContact CD1-CG 4.47Å; F1938-M1942 HydrophobicContact CD1-SD 3.95Å; F1938-M1942 HydrophobicContact CE1-CG 4.17Å; F1938-M1942 HydrophobicContact CE1-SD 3.51Å; F1938-M1942 VanDerWaalsContact CE1-SD 3.51Å; F1938-M1942 HydrophobicContact CZ-CG 4.38Å; F1938-M1942 HydrophobicContact CZ-SD 4.17Å; F1938-M1942 WeakPolarHBondContact O-CG 3.41Å; F1938-M1942 PolarHBondContact O-N 3.29Å; K1939-M1942 PolarHBondContact O-N 2.95Å; V1940-M1942 VanDerWaalsContact C-N 3.33Å; V1940-M1942 PolarHBondContact O-N 3.37Å; M1942-A1976 HydrophobicContact CE-CB 4.28Å; M1942-A1976 HydrophobicContact SD-CB 4.06Å
1943N81.4Confident83.3Confident131 Ų13164.4 Ų64.470%0.70134%0.342SS*.Hα-helixtrans-86.1-9.7-179-73.7-26.8000113.5K1939 V1940 F1941K1939-N1943 WeakPolarHBondContact O-CB 3.39Å; K1939-N1943 PolarHBondContact O-N 3.49Å; K1939-N1943 PolarHBondContact O-ND2 2.67Å; K1939-N1943 VanDerWaalsContact O-ND2 3.11Å; V1940-N1943 PolarHBondContact O-N 3.37Å; F1941-N1943 VanDerWaalsContact C-N 3.33Å; F1941-N1943 PolarHBondContact O-N 3.15Å
1944I82.1Confident84Confident72 Ų7260 Ų6037%0.36931%0.314SS..SBendtrans-76.7118.7175.1-64.6163.9000108.1V1940 F1941 L1947V1940-I1944 HydrophobicContact CG1-CD1 4.43Å; V1940-I1944 WeakPolarHBondContact O-CG1 3.44Å; V1940-I1944 PolarHBondContact O-N 3.49Å; V1940-I1944 VanDerWaalsContact O-N 3.16Å; F1941-I1944 PolarHBondContact O-N 3.32Å; I1944-L1947 HydrophobicContact CB-CB 4Å; I1944-L1947 HydrophobicContact CB-CD1 4.26Å; I1944-L1947 HydrophobicContact CD1-CD1 4.11Å; I1944-L1947 HydrophobicContact CG2-CB 3.67Å; I1944-L1947 HydrophobicContact CG2-CD1 3.76Å; I1944-L1947 HydrophobicContact CG2-CG 4.37Å; I1944-L1947 PolarHBondContact O-N 3.36Å
1945P81.2Confident84.3Confident100 Ų10059 Ų5965%0.64931%0.308SS*.THydrogen-bonded Turntrans-62.2140.9-174.326.7-35.5000111.4L1947P1945-L1947 PolarHBondContact O-N 2.98Å
1946F83.7Confident84.6Confident158 Ų15861.9 Ų61.969%0.69332%0.317SS*.THydrogen-bonded Turntrans62.9-12.3-177.3-50-67.8000115.9E1949 L1950F1946-E1949 VanDerWaalsContact C-OE2 3.29Å; F1946-E1949 WeakPolarHBondContact CA-OE2 3.21Å; F1946-E1949 PolarHBondContact N-OE2 2.94Å; F1946-L1950 WeakPolarHBondContact O-CA 3.13Å; F1946-L1950 WeakPolarHBondContact O-CB 3.3Å; F1946-L1950 PolarHBondContact O-N 3Å
1947L83.1Confident84.9Confident39 Ų3961.4 Ų61.420%0.20432%0.319CS..Hα-helixtrans-74.8-41.1-173.5-165.5157.3000111.5F1941 I1944 P1945 R1951F1941-L1947 HydrophobicContact CD2-CD2 3.64Å; F1941-L1947 HydrophobicContact CE1-CD2 4.34Å; F1941-L1947 HydrophobicContact CE2-CD2 3.14Å; F1941-L1947 HydrophobicContact CG-CD2 4.4Å; F1941-L1947 HydrophobicContact CZ-CD2 3.52Å; I1944-L1947 HydrophobicContact CB-CB 4Å; I1944-L1947 HydrophobicContact CB-CD1 4.26Å; I1944-L1947 HydrophobicContact CD1-CD1 4.11Å; I1944-L1947 HydrophobicContact CG2-CB 3.67Å; I1944-L1947 HydrophobicContact CG2-CD1 3.76Å; I1944-L1947 HydrophobicContact CG2-CG 4.37Å; I1944-L1947 PolarHBondContact O-N 3.36Å; P1945-L1947 PolarHBondContact O-N 2.98Å; L1947-R1951 VanDerWaalsContact O-CB 3.28Å; L1947-R1951 WeakPolarHBondContact O-CB 3.21Å; L1947-R1951 PolarHBondContact O-N 3.37Å
1948F85.1Confident85.3Confident18 Ų1863.3 Ų63.38%0.07932%0.319CS..Hα-helixtrans-63.3-49.9172.6179-100.8000110.7F1941 R1951 T1952 E1972 N1973F1941-F1948 HydrophobicContact CE1-CD2 4.15Å; F1948-R1951 PolarHBondContact O-N 3.22Å; F1948-T1952 HydrophobicContact CE1-CG2 4.29Å; F1948-T1952 HydrophobicContact CE2-CG2 4.23Å; F1948-T1952 HydrophobicContact CZ-CG2 4.07Å; F1948-T1952 WeakPolarHBondContact O-CG2 3.49Å; F1948-T1952 PolarHBondContact O-N 3.17Å; F1948-T1952 PolarHBondContact O-OG1 3.19Å; F1948-E1972 HydrophobicContact CZ-CB 4.13Å; F1948-N1973 VanDerWaalsContact CE1-OD1 3.29Å; F1948-N1973 WeakPolarHBondContact CE1-OD1 3.46Å; F1948-N1973 WeakPolarHBondContact CZ-OD1 3.39Å
1949E86.1Confident85.2Confident89 Ų8965.2 Ų65.242%0.41633%0.331SS..Hα-helixtrans-69.2-37.7-177-52.897.4137.500113.3F1946 T1952 A1953 F1969F1946-E1949 VanDerWaalsContact C-OE2 3.29Å; F1946-E1949 WeakPolarHBondContact CA-OE2 3.21Å; F1946-E1949 PolarHBondContact N-OE2 2.94Å; E1949-T1952 PolarHBondContact O-OG1 2.96Å; E1949-T1952 VanDerWaalsContact O-OG1 3.12Å; E1949-A1953 VanDerWaalsContact O-CB 3.31Å; E1949-A1953 WeakPolarHBondContact O-CB 3.35Å; E1949-A1953 PolarHBondContact O-N 3.27Å; E1949-F1969 HydrophobicContact CB-CE1 4Å; E1949-F1969 HydrophobicContact CB-CZ 4.13Å; E1949-F1969 HydrophobicContact CG-CE1 4.13Å
1950L85.6Confident85.3Confident95 Ų9564.1 Ų64.150%0.49733%0.329SS..Hα-helixtrans-66.7-41.7174.9-176.668.7000110.2F1946 I1954F1946-L1950 WeakPolarHBondContact O-CA 3.13Å; F1946-L1950 WeakPolarHBondContact O-CB 3.3Å; F1946-L1950 PolarHBondContact O-N 3Å; L1950-I1954 HydrophobicContact CD1-CD1 4.05Å; L1950-I1954 HydrophobicContact CD1-CG1 4.36Å; L1950-I1954 HydrophobicContact CD2-CD1 4.32Å; L1950-I1954 HydrophobicContact CG-CD1 3.75Å; L1950-I1954 HydrophobicContact CG-CG1 4.37Å; L1950-I1954 WeakPolarHBondContact O-CB 3.28Å; L1950-I1954 WeakPolarHBondContact O-CG1 3.19Å; L1950-I1954 PolarHBondContact O-N 3.4Å
1951R86.4Confident85.5Confident49 Ų4961.8 Ų61.819%0.18532%0.315CS..Hα-helixtrans-61-51.4175.3177.9-172159.3-147.3-19.7111.2N1924 L1947 F1948 A1953 I1954 D1955N1924-R1951 PolarHBondContact ND2-NH1 3.47Å; L1947-R1951 VanDerWaalsContact O-CB 3.28Å; L1947-R1951 WeakPolarHBondContact O-CB 3.21Å; L1947-R1951 PolarHBondContact O-N 3.37Å; F1948-R1951 PolarHBondContact O-N 3.22Å; R1951-A1953 VanDerWaalsContact C-N 3.29Å; R1951-A1953 PolarHBondContact O-N 2.85Å; R1951-I1954 PolarHBondContact O-N 3.46Å; R1951-D1955 WeakPolarHBondContact CG-OD2 3.47Å; R1951-D1955 IonicContact CZ-OD2 2.68Å; R1951-D1955 IonicContact NE-OD2 2.71Å; R1951-D1955 PolarHBondContact NE-OD2 3.46Å; R1951-D1955 IonicContact NH2-OD2 2.87Å; R1951-D1955 WeakPolarHBondContact O-CB 3.45Å; R1951-D1955 PolarHBondContact O-N 3.28Å
1952T86.9Confident85.7Confident1 Ų162.4 Ų62.41%0.00632%0.322CS..Hα-helixtrans-64.3-36.4-176.453.10000111.5F1948 E1949 W1956 F1968 F1969 E1972F1948-T1952 HydrophobicContact CE1-CG2 4.29Å; F1948-T1952 HydrophobicContact CE2-CG2 4.23Å; F1948-T1952 HydrophobicContact CZ-CG2 4.07Å; F1948-T1952 WeakPolarHBondContact O-CG2 3.49Å; F1948-T1952 PolarHBondContact O-N 3.17Å; F1948-T1952 PolarHBondContact O-OG1 3.19Å; E1949-T1952 PolarHBondContact O-OG1 2.96Å; E1949-T1952 VanDerWaalsContact O-OG1 3.12Å; T1952-W1956 VanDerWaalsContact O-CB 3.27Å; T1952-W1956 WeakPolarHBondContact O-CB 3.36Å; T1952-W1956 PolarHBondContact O-N 3.22Å; T1952-F1968 WeakPolarHBondContact O-CE1 3.4Å; T1952-F1969 WeakPolarHBondContact OG1-CE1 3.44Å; T1952-F1969 WeakPolarHBondContact OG1-CZ 3.3Å; T1952-E1972 HydrophobicContact CG2-CB 3.93Å; T1952-E1972 HydrophobicContact CG2-CG 3.81Å
1953A88.8Confident85.9Confident33 Ų3359.1 Ų59.127%0.27331%0.306SS..Hα-helixtrans-63.8-47171.300000112.5E1949 R1951 W1956 T1957E1949-A1953 VanDerWaalsContact O-CB 3.31Å; E1949-A1953 WeakPolarHBondContact O-CB 3.35Å; E1949-A1953 PolarHBondContact O-N 3.27Å; R1951-A1953 VanDerWaalsContact C-N 3.29Å; R1951-A1953 PolarHBondContact O-N 2.85Å; A1953-W1956 PolarHBondContact O-N 3.43Å; A1953-T1957 WeakPolarHBondContact O-CG2 3.45Å; A1953-T1957 PolarHBondContact O-N 3.47Å; A1953-T1957 PolarHBondContact O-OG1 3.22Å
1954I88.2Confident86.3Confident19 Ų1955.5 Ų55.510%0.09729%0.29CS..Hα-helixtrans-60.2-49.6177.5-81.5179000111.7I1848 R1851 L1950 R1951 W1956 T1957 W1958I1848-I1954 HydrophobicContact CG1-CD1 3.99Å; R1851-I1954 HydrophobicContact CB-CG2 4.26Å; R1851-I1954 HydrophobicContact CG-CG2 3.4Å; L1950-I1954 HydrophobicContact CD1-CD1 4.05Å; L1950-I1954 HydrophobicContact CD1-CG1 4.36Å; L1950-I1954 HydrophobicContact CD2-CD1 4.32Å; L1950-I1954 HydrophobicContact CG-CD1 3.75Å; L1950-I1954 HydrophobicContact CG-CG1 4.37Å; L1950-I1954 WeakPolarHBondContact O-CB 3.28Å; L1950-I1954 WeakPolarHBondContact O-CG1 3.19Å; L1950-I1954 PolarHBondContact O-N 3.4Å; R1951-I1954 PolarHBondContact O-N 3.46Å; I1954-W1956 VanDerWaalsContact C-N 3.31Å; I1954-W1956 PolarHBondContact O-N 3.11Å; I1954-T1957 WeakPolarHBondContact CA-OG1 3.36Å; I1954-T1957 PolarHBondContact O-N 2.89Å; I1954-T1957 VanDerWaalsContact O-N 3.13Å; I1954-T1957 PolarHBondContact O-OG1 3.18Å; I1954-W1958 HydrophobicContact CB-CE3 4.4Å; I1954-W1958 HydrophobicContact CB-CZ3 4.03Å; I1954-W1958 HydrophobicContact CG1-CZ3 3.86Å; I1954-W1958 HydrophobicContact CG2-CE3 3.82Å; I1954-W1958 HydrophobicContact CG2-CZ3 3.68Å; I1954-W1958 VanDerWaalsContact O-CE3 3.32Å; I1954-W1958 PolarHBondContact O-N 3.01Å
1955D86.8Confident86.5Confident10 Ų1054.6 Ų54.65%0.05329%0.286CS..Hα-helixtrans-63.6-38.2180-71-10.1000110R1851 R1951 T1959 F1968R1851-D1955 IonicContact CZ-OD1 3.64Å; R1851-D1955 VanDerWaalsContact CZ-OD1 3.22Å; R1851-D1955 IonicContact NE-OD1 3.11Å; R1851-D1955 PolarHBondContact NE-OD1 3.09Å; R1851-D1955 IonicContact NH2-OD1 3.6Å; R1851-D1955 PolarHBondContact NH2-OD1 3.44Å; R1851-D1955 IonicContact NH2-OD2 2.66Å; R1851-D1955 PolarHBondContact NH2-OD2 3.28Å; R1951-D1955 WeakPolarHBondContact CG-OD2 3.47Å; R1951-D1955 IonicContact CZ-OD2 2.68Å; R1951-D1955 IonicContact NE-OD2 2.71Å; R1951-D1955 PolarHBondContact NE-OD2 3.46Å; R1951-D1955 IonicContact NH2-OD2 2.87Å; R1951-D1955 WeakPolarHBondContact O-CB 3.45Å; R1951-D1955 PolarHBondContact O-N 3.28Å; D1955-T1959 WeakPolarHBondContact O-CB 3.19Å; D1955-T1959 PolarHBondContact O-N 3.19Å; D1955-T1959 PolarHBondContact O-OG1 3.48Å; D1955-F1968 HydrophobicContact CB-CZ 4.42Å
1956W90.5Very high86.9Confident88 Ų8857.7 Ų57.733%0.33329%0.289SS..Hα-helixtrans-65.5-37.1171.6178.783.2000113.5T1952 A1953 I1954 W1958 M1963 L1965 F1968T1952-W1956 VanDerWaalsContact O-CB 3.27Å; T1952-W1956 WeakPolarHBondContact O-CB 3.36Å; T1952-W1956 PolarHBondContact O-N 3.22Å; A1953-W1956 PolarHBondContact O-N 3.43Å; I1954-W1956 VanDerWaalsContact C-N 3.31Å; I1954-W1956 PolarHBondContact O-N 3.11Å; W1956-W1958 PolarHBondContact O-N 3.41Å; W1956-M1963 PolarHBondContact NE1-O 3.22Å; W1956-L1965 HydrophobicContact CB-CD1 4.22Å; W1956-L1965 HydrophobicContact CD2-CB 4.39Å; W1956-L1965 HydrophobicContact CD2-CD1 3.68Å; W1956-L1965 HydrophobicContact CE3-CD1 3.73Å; W1956-L1965 HydrophobicContact CG-CD1 3.9Å; W1956-L1965 HydrophobicContact CZ2-CB 4.21Å; W1956-L1965 HydrophobicContact CZ3-CD1 4.36Å; W1956-F1968 HydrophobicContact CB-CD1 4.18Å; W1956-F1968 HydrophobicContact CB-CD2 4.39Å; W1956-F1968 HydrophobicContact CB-CE1 4.17Å; W1956-F1968 HydrophobicContact CB-CE2 4.36Å; W1956-F1968 HydrophobicContact CB-CG 4.3Å; W1956-F1968 HydrophobicContact CB-CZ 4.26Å; W1956-F1968 AromaticContact CD1-CD2 3.82Å; W1956-F1968 AromaticContact CD1-CG 3.91Å; W1956-F1968 HydrophobicContact CG-CG 4.46Å
1957T89.9Confident87.2Confident77 Ų7750.6 Ų50.647%0.47226%0.259SS..Hα-helixtrans-72.5-25.2-178.851.70000115.5A1953 I1954A1953-T1957 WeakPolarHBondContact O-CG2 3.45Å; A1953-T1957 PolarHBondContact O-N 3.47Å; A1953-T1957 PolarHBondContact O-OG1 3.22Å; I1954-T1957 WeakPolarHBondContact CA-OG1 3.36Å; I1954-T1957 PolarHBondContact O-N 2.89Å; I1954-T1957 VanDerWaalsContact O-N 3.13Å; I1954-T1957 PolarHBondContact O-OG1 3.18Å
1958W87.5Confident87.6Confident75 Ų7548.9 Ų48.928%0.28425%0.249SC..Hα-helixtrans-116.1-4.7-177.6-70.6-60.7000115.1I1848 A1852 L1855 I1954 W1956I1848-W1958 HydrophobicContact CG2-CH2 3.47Å; I1848-W1958 VanDerWaalsContact CG2-CH2 3.47Å; I1848-W1958 HydrophobicContact CG2-CZ2 4.45Å; I1848-W1958 HydrophobicContact CG2-CZ3 4.03Å; A1852-W1958 HydrophobicContact CB-CD2 3.65Å; A1852-W1958 HydrophobicContact CB-CE3 3.95Å; A1852-W1958 HydrophobicContact CB-CG 4.21Å; A1852-W1958 HydrophobicContact CB-CH2 4.17Å; A1852-W1958 HydrophobicContact CB-CZ2 3.84Å; A1852-W1958 HydrophobicContact CB-CZ3 4.18Å; L1855-W1958 HydrophobicContact CB-CB 4.08Å; L1855-W1958 HydrophobicContact CD1-CB 3.82Å; L1855-W1958 HydrophobicContact CD1-CE3 4.45Å; I1954-W1958 HydrophobicContact CB-CE3 4.4Å; I1954-W1958 HydrophobicContact CB-CZ3 4.03Å; I1954-W1958 HydrophobicContact CG1-CZ3 3.86Å; I1954-W1958 HydrophobicContact CG2-CE3 3.82Å; I1954-W1958 HydrophobicContact CG2-CZ3 3.68Å; I1954-W1958 VanDerWaalsContact O-CE3 3.32Å; I1954-W1958 PolarHBondContact O-N 3.01Å; W1956-W1958 PolarHBondContact O-N 3.41Å
1959T84.3Confident87.9Confident45 Ų4550 Ų5028%0.27625%0.254SS..SBendtrans-98.7132.1172-48.60000109.8D1955 T1961 R2367D1955-T1959 WeakPolarHBondContact O-CB 3.19Å; D1955-T1959 PolarHBondContact O-N 3.19Å; D1955-T1959 PolarHBondContact O-OG1 3.48Å; T1959-T1961 PolarHBondContact O-N 3.36Å; T1959-R2367 HydrophobicContact CG2-CG 4.2Å
1960D86Confident88.1Confident72 Ų7249 Ų4939%0.38525%0.252SS..  trans-67.9117.6172.5-51.9-31000108.9K2370 F2372D1960-K2370 WeakPolarHBondContact OD2-CE 3.43Å; D1960-K2370 IonicContact OD2-NZ 2.87Å; D1960-K2370 PolarHBondContact OD2-NZ 2.99Å; D1960-F2372 HydrophobicContact CB-CE1 4.47Å; D1960-F2372 HydrophobicContact CB-CZ 3.93Å; D1960-F2372 WeakPolarHBondContact O-CE1 3.49Å
1961T88.2Confident88.2Confident31 Ų3144.5 Ų44.519%0.1923%0.228CC..  trans-149.4155178.6176.20000110.3T1959 M1963 F1968 E2375T1959-T1961 PolarHBondContact O-N 3.36Å; T1961-M1963 PolarHBondContact OG1-N 3.01Å; T1961-F1968 HydrophobicContact CG2-CD2 4.24Å; T1961-F1968 HydrophobicContact CG2-CE2 4.33Å; T1961-E2375 VanDerWaalsContact OG1-CD 3.3Å; T1961-E2375 PolarHBondContact OG1-OE1 2.89Å; T1961-E2375 PolarHBondContact OG1-OE2 3.38Å
1962S86.6Confident88.3Confident36 Ų3642.4 Ų42.425%0.25222%0.221SC..  trans-98.2-6176.667.50000114.5F2372 E2375 Q2376S1962-F2372 PolarHBondContact OG-O 3.23Å; S1962-E2375 PolarHBondContact N-OE2 2.68Å; S1962-E2375 PolarHBondContact OG-OE2 2.9Å; S1962-Q2376 VanDerWaalsContact CB-NE2 3.34Å; S1962-Q2376 WeakPolarHBondContact OG-CG 3.32Å; S1962-Q2376 PolarHBondContact OG-NE2 3.49Å; S1962-Q2376 VanDerWaalsContact OG-NE2 3.08Å
1963M85.1Confident88.4Confident4 Ų445.8 Ų45.82%0.0224%0.239CC..SBendtrans-77.8136.6179.4-60.5-166.8-169.100111.9W1956 T1961 F1968 M1971 I2363 E2375 F2379W1956-M1963 PolarHBondContact NE1-O 3.22Å; T1961-M1963 PolarHBondContact OG1-N 3.01Å; M1963-F1968 HydrophobicContact CB-CB 4.46Å; M1963-M1971 HydrophobicContact SD-CB 4.46Å; M1963-I2363 HydrophobicContact CE-CG2 3.67Å; M1963-E2375 HydrophobicContact CE-CG 3.47Å; M1963-E2375 VanDerWaalsContact CE-CG 3.47Å; M1963-E2375 HydrophobicContact CG-CG 4.29Å; M1963-F2379 HydrophobicContact CE-CB 3.56Å; M1963-F2379 HydrophobicContact CE-CD1 4.4Å; M1963-F2379 HydrophobicContact CE-CD2 3.98Å; M1963-F2379 HydrophobicContact CE-CG 3.74Å; M1963-F2379 HydrophobicContact SD-CD1 4.34Å; M1963-F2379 HydrophobicContact SD-CD2 4.16Å; M1963-F2379 HydrophobicContact SD-CE2 4.46Å; M1963-F2379 HydrophobicContact SD-CG 4.09Å
1964P89.5Confident88.4Confident54 Ų5446.8 Ų46.835%0.35124%0.237SC..  trans-68.2152.1168.331-33.6000110.4Y1356 F1966 D1967 F1968Y1356-P1964 HydrophobicContact CD1-CG 4.34Å; Y1356-P1964 HydrophobicContact CE1-CG 3.59Å; Y1356-P1964 WeakPolarHBondContact OH-CD 3.34Å; P1964-F1966 VanDerWaalsContact C-N 3.34Å; P1964-F1966 PolarHBondContact O-N 2.92Å; P1964-F1966 VanDerWaalsContact O-N 3.14Å; P1964-D1967 HydrophobicContact CG-CB 4.05Å; P1964-D1967 PolarHBondContact O-N 3.39Å; P1964-F1968 PolarHBondContact O-N 2.97Å
1965L88.1Confident88.5Confident54 Ų5446.6 Ų46.628%0.28324%0.235SC..Hα-helixtrans-45.2-50.5-172.6-176.267000114W1956 D1967 F1968 F1969W1956-L1965 HydrophobicContact CB-CD1 4.22Å; W1956-L1965 HydrophobicContact CD2-CB 4.39Å; W1956-L1965 HydrophobicContact CD2-CD1 3.68Å; W1956-L1965 HydrophobicContact CE3-CD1 3.73Å; W1956-L1965 HydrophobicContact CG-CD1 3.9Å; W1956-L1965 HydrophobicContact CZ2-CB 4.21Å; W1956-L1965 HydrophobicContact CZ3-CD1 4.36Å; L1965-D1967 VanDerWaalsContact C-N 3.28Å; L1965-D1967 PolarHBondContact O-N 3.21Å; L1965-F1968 WeakPolarHBondContact O-CB 3.4Å; L1965-F1968 PolarHBondContact O-N 3.3Å; L1965-F1969 HydrophobicContact CD1-CD2 4.03Å; L1965-F1969 HydrophobicContact CD1-CE2 3.79Å; L1965-F1969 HydrophobicContact CD2-CE2 4.47Å; L1965-F1969 HydrophobicContact CG-CD2 3.97Å; L1965-F1969 HydrophobicContact CG-CE2 3.94Å; L1965-F1969 WeakPolarHBondContact O-CD2 3.48Å; L1965-F1969 PolarHBondContact O-N 3.3Å
1966F89.3Confident88.5Confident164 Ų16446.2 Ų46.272%0.71923%0.233SC*.Hα-helixtrans-64.3-30.1-178.1-67.4-66.8000113.9P1964 F1969 N1970P1964-F1966 VanDerWaalsContact C-N 3.34Å; P1964-F1966 PolarHBondContact O-N 2.92Å; P1964-F1966 VanDerWaalsContact O-N 3.14Å; F1966-F1969 WeakPolarHBondContact O-CB 3.31Å; F1966-N1970 PolarHBondContact O-N 2.93Å; F1966-N1970 PolarHBondContact O-ND2 3.16Å; F1966-N1970 VanDerWaalsContact O-ND2 3.11Å
1967D89.8Confident88.4Confident10 Ų1045.4 Ų45.45%0.05323%0.233CC..Hα-helixtrans-82.5-31.5178.2-75.4-40.2000112.3Y1356 K1360 P1964 L1965 N1970 M1971 F2379Y1356-D1967 WeakPolarHBondContact OH-CB 3.46Å; Y1356-D1967 PolarHBondContact OH-OD2 3.3Å; K1360-D1967 WeakPolarHBondContact CE-OD1 3.33Å; K1360-D1967 WeakPolarHBondContact CE-OD2 3.33Å; K1360-D1967 IonicContact NZ-OD1 2.74Å; K1360-D1967 PolarHBondContact NZ-OD1 2.95Å; K1360-D1967 IonicContact NZ-OD2 3.13Å; K1360-D1967 PolarHBondContact NZ-OD2 3.17Å; P1964-D1967 HydrophobicContact CG-CB 4.05Å; P1964-D1967 PolarHBondContact O-N 3.39Å; L1965-D1967 VanDerWaalsContact C-N 3.28Å; L1965-D1967 PolarHBondContact O-N 3.21Å; D1967-N1970 PolarHBondContact O-N 2.98Å; D1967-N1970 PolarHBondContact OD1-ND2 3.47Å; D1967-M1971 WeakPolarHBondContact O-CB 3.37Å; D1967-M1971 PolarHBondContact O-N 3.09Å; D1967-F2379 HydrophobicContact CB-CE1 3.62Å; D1967-F2379 HydrophobicContact CB-CZ 3.65Å; D1967-F2379 WeakPolarHBondContact O-CZ 3.39Å
1968F90.4Very high88.3Confident2 Ų241.8 Ų41.81%0.00921%0.211CC..Hα-helixtrans-59.3-45.7164.3-169.5-79.3000111.2T1952 D1955 W1956 T1961 M1963 P1964 L1965 N1970 M1971 E1972T1952-F1968 WeakPolarHBondContact O-CE1 3.4Å; D1955-F1968 HydrophobicContact CB-CZ 4.42Å; W1956-F1968 HydrophobicContact CB-CD1 4.18Å; W1956-F1968 HydrophobicContact CB-CD2 4.39Å; W1956-F1968 HydrophobicContact CB-CE1 4.17Å; W1956-F1968 HydrophobicContact CB-CE2 4.36Å; W1956-F1968 HydrophobicContact CB-CG 4.3Å; W1956-F1968 HydrophobicContact CB-CZ 4.26Å; W1956-F1968 AromaticContact CD1-CD2 3.82Å; W1956-F1968 AromaticContact CD1-CG 3.91Å; W1956-F1968 HydrophobicContact CG-CG 4.46Å; T1961-F1968 HydrophobicContact CG2-CD2 4.24Å; T1961-F1968 HydrophobicContact CG2-CE2 4.33Å; M1963-F1968 HydrophobicContact CB-CB 4.46Å; P1964-F1968 PolarHBondContact O-N 2.97Å; L1965-F1968 WeakPolarHBondContact O-CB 3.4Å; L1965-F1968 PolarHBondContact O-N 3.3Å; F1968-N1970 PolarHBondContact O-N 2.73Å; F1968-M1971 PolarHBondContact O-N 2.97Å; F1968-E1972 HydrophobicContact CD1-CG 4.06Å; F1968-E1972 HydrophobicContact CE1-CG 3.85Å; F1968-E1972 WeakPolarHBondContact O-CG 3.15Å; F1968-E1972 PolarHBondContact O-N 3.44Å
1969F91.8Very high88.3Confident43 Ų4338.2 Ų38.219%0.18920%0.197CC..Hα-helixtrans-58.7-41.9172.4-94.6-82.8000112.8E1949 T1952 L1965 F1966 N1973E1949-F1969 HydrophobicContact CB-CE1 4Å; E1949-F1969 HydrophobicContact CB-CZ 4.13Å; E1949-F1969 HydrophobicContact CG-CE1 4.13Å; T1952-F1969 WeakPolarHBondContact OG1-CE1 3.44Å; T1952-F1969 WeakPolarHBondContact OG1-CZ 3.3Å; L1965-F1969 HydrophobicContact CD1-CD2 4.03Å; L1965-F1969 HydrophobicContact CD1-CE2 3.79Å; L1965-F1969 HydrophobicContact CD2-CE2 4.47Å; L1965-F1969 HydrophobicContact CG-CD2 3.97Å; L1965-F1969 HydrophobicContact CG-CE2 3.94Å; L1965-F1969 WeakPolarHBondContact O-CD2 3.48Å; L1965-F1969 PolarHBondContact O-N 3.3Å; F1966-F1969 WeakPolarHBondContact O-CB 3.31Å; F1969-N1973 WeakPolarHBondContact O-CB 3.27Å; F1969-N1973 VanDerWaalsContact O-CG 3.25Å; F1969-N1973 PolarHBondContact O-N 3.34Å; F1969-N1973 PolarHBondContact O-ND2 2.89Å; F1969-N1973 VanDerWaalsContact O-ND2 3.14Å
1970N89.7Confident88.5Confident67 Ų6737.1 Ų37.136%0.35819%0.19SC..Hα-helixtrans-63.7-43.7176.4-70.4-34.1000111.8F1966 D1967 F1968 N1973 F1974F1966-N1970 PolarHBondContact O-N 2.93Å; F1966-N1970 PolarHBondContact O-ND2 3.16Å; F1966-N1970 VanDerWaalsContact O-ND2 3.11Å; D1967-N1970 PolarHBondContact O-N 2.98Å; D1967-N1970 PolarHBondContact OD1-ND2 3.47Å; F1968-N1970 PolarHBondContact O-N 2.73Å; N1970-N1973 PolarHBondContact O-N 3.12Å; N1970-F1974 HydrophobicContact CB-CE2 4.25Å; N1970-F1974 WeakPolarHBondContact O-CD2 3.19Å; N1970-F1974 WeakPolarHBondContact O-CG 3.49Å; N1970-F1974 PolarHBondContact O-N 3.4Å
1971M88.4Confident88.7Confident0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-59.9-48.7177.2-177.1-83.2-153.300112M1963 D1967 F1968 N1973 F1974 Y1975 I2363 Y2364 F2379M1963-M1971 HydrophobicContact SD-CB 4.46Å; D1967-M1971 WeakPolarHBondContact O-CB 3.37Å; D1967-M1971 PolarHBondContact O-N 3.09Å; F1968-M1971 PolarHBondContact O-N 2.97Å; M1971-N1973 PolarHBondContact O-N 2.75Å; M1971-F1974 PolarHBondContact O-N 3.37Å; M1971-Y1975 PolarHBondContact O-N 3.03Å; M1971-I2363 HydrophobicContact CE-CB 3.89Å; M1971-I2363 HydrophobicContact CE-CG2 3.37Å; M1971-Y2364 HydrophobicContact CE-CD1 3.81Å; M1971-Y2364 HydrophobicContact CE-CD2 4.35Å; M1971-Y2364 HydrophobicContact CE-CE1 3.58Å; M1971-Y2364 HydrophobicContact CE-CE2 4.14Å; M1971-Y2364 HydrophobicContact CE-CG 4.18Å; M1971-Y2364 HydrophobicContact SD-CE1 4.14Å; M1971-F2379 HydrophobicContact CB-CD2 4.15Å; M1971-F2379 HydrophobicContact CB-CE2 3.8Å; M1971-F2379 HydrophobicContact CG-CD2 4.37Å; M1971-F2379 HydrophobicContact CG-CE2 4.49Å
1972E88.6Confident88.7Confident6 Ų634.2 Ų34.23%0.02817%0.171CC..Hα-helixtrans-63-39.3176.7-71.6-76.616100111.9F1948 T1952 F1968 Y1975 A1976 Y2364F1948-E1972 HydrophobicContact CZ-CB 4.13Å; T1952-E1972 HydrophobicContact CG2-CB 3.93Å; T1952-E1972 HydrophobicContact CG2-CG 3.81Å; F1968-E1972 HydrophobicContact CD1-CG 4.06Å; F1968-E1972 HydrophobicContact CE1-CG 3.85Å; F1968-E1972 WeakPolarHBondContact O-CG 3.15Å; F1968-E1972 PolarHBondContact O-N 3.44Å; E1972-Y1975 PolarHBondContact O-N 3.26Å; E1972-A1976 VanDerWaalsContact O-CB 3.29Å; E1972-A1976 WeakPolarHBondContact O-CB 3.23Å; E1972-A1976 PolarHBondContact O-N 3.43Å; E1972-Y2364 WeakPolarHBondContact OE1-CE1 3.37Å; E1972-Y2364 PolarHBondContact OE1-OH 3.43Å; E1972-Y2364 VanDerWaalsContact OE1-OH 3.1Å; E1972-Y2364 PolarHBondContact OE2-OH 3.02Å
1973N89Confident88.8Confident72 Ų7232.5 Ų32.539%0.38516%0.159SC..Hα-helixtrans-63.2-41.9174.3-79-31.9000112.6F1948 F1969 N1970 M1971 A1976 H1977F1948-N1973 VanDerWaalsContact CE1-OD1 3.29Å; F1948-N1973 WeakPolarHBondContact CE1-OD1 3.46Å; F1948-N1973 WeakPolarHBondContact CZ-OD1 3.39Å; F1969-N1973 WeakPolarHBondContact O-CB 3.27Å; F1969-N1973 VanDerWaalsContact O-CG 3.25Å; F1969-N1973 PolarHBondContact O-N 3.34Å; F1969-N1973 PolarHBondContact O-ND2 2.89Å; F1969-N1973 VanDerWaalsContact O-ND2 3.14Å; N1970-N1973 PolarHBondContact O-N 3.12Å; M1971-N1973 PolarHBondContact O-N 2.75Å; N1973-A1976 PolarHBondContact O-N 3.09Å; N1973-H1977 PolarHBondContact O-N 3.43Å
1974F89.3Confident88.8Confident53 Ų5333.9 Ų33.923%0.23217%0.172CC..Hα-helixtrans-64.3-47.7175.2-66.1-46.1000111.3N1970 M1971 A1976 H1977 I1978 L2382 F2386N1970-F1974 HydrophobicContact CB-CE2 4.25Å; N1970-F1974 WeakPolarHBondContact O-CD2 3.19Å; N1970-F1974 WeakPolarHBondContact O-CG 3.49Å; N1970-F1974 PolarHBondContact O-N 3.4Å; M1971-F1974 PolarHBondContact O-N 3.37Å; F1974-A1976 VanDerWaalsContact C-N 3.32Å; F1974-A1976 PolarHBondContact O-N 3.13Å; F1974-H1977 PolarHBondContact O-N 3.1Å; F1974-H1977 VanDerWaalsContact O-N 3.14Å; F1974-I1978 HydrophobicContact CB-CD1 4.45Å; F1974-I1978 WeakPolarHBondContact O-CD1 3.28Å; F1974-I1978 VanDerWaalsContact O-CG1 3.26Å; F1974-I1978 WeakPolarHBondContact O-CG1 3.48Å; F1974-I1978 PolarHBondContact O-N 3.31Å; F1974-L2382 HydrophobicContact CB-CD2 4.43Å; F1974-L2382 HydrophobicContact CD2-CD2 4.13Å; F1974-F2386 HydrophobicContact CB-CE2 3.95Å; F1974-F2386 HydrophobicContact CB-CZ 4.37Å; F1974-F2386 AromaticContact CD1-CD2 3.85Å; F1974-F2386 HydrophobicContact CD1-CD2 3.85Å; F1974-F2386 HydrophobicContact CD1-CE1 4.39Å; F1974-F2386 AromaticContact CD1-CE2 3.64Å; F1974-F2386 HydrophobicContact CD1-CE2 3.64Å; F1974-F2386 HydrophobicContact CD1-CG 4.31Å; F1974-F2386 AromaticContact CD1-CZ 3.94Å; F1974-F2386 HydrophobicContact CD1-CZ 3.94Å; F1974-F2386 HydrophobicContact CD2-CD2 4.29Å; F1974-F2386 HydrophobicContact CD2-CE2 4.28Å; F1974-F2386 HydrophobicContact CE1-CD1 4.46Å; F1974-F2386 AromaticContact CE1-CD2 3.91Å; F1974-F2386 HydrophobicContact CE1-CD2 3.91Å; F1974-F2386 HydrophobicContact CE1-CE2 4.19Å; F1974-F2386 HydrophobicContact CE1-CG 4.06Å; F1974-F2386 HydrophobicContact CE2-CD2 4.34Å; F1974-F2386 HydrophobicContact CG-CD2 4.06Å; F1974-F2386 AromaticContact CG-CE2 3.71Å; F1974-F2386 HydrophobicContact CG-CE2 3.71Å; F1974-F2386 HydrophobicContact CG-CZ 4.32Å; F1974-F2386 HydrophobicContact CZ-CD2 4.16Å; F1974-F2386 HydrophobicContact CZ-CG 4.45Å
1975Y89.4Confident88.7Confident16 Ų1634.3 Ų34.36%0.06317%0.166CC..Hα-helixtrans-57.3-45.3176.2175.8-108.5000111.5T1927 M1971 E1972 H1977 I1978 F1979 L2357 C2360 L2361 Y2364T1927-Y1975 VanDerWaalsContact CB-OH 3.3Å; T1927-Y1975 WeakPolarHBondContact CB-OH 3.48Å; T1927-Y1975 HydrophobicContact CG2-CE1 4.13Å; T1927-Y1975 PolarHBondContact OG1-OH 3.06Å; M1971-Y1975 PolarHBondContact O-N 3.03Å; E1972-Y1975 PolarHBondContact O-N 3.26Å; Y1975-H1977 VanDerWaalsContact C-N 3.33Å; Y1975-H1977 PolarHBondContact O-N 3.03Å; Y1975-I1978 PolarHBondContact O-N 3.31Å; Y1975-F1979 WeakPolarHBondContact O-CB 3.46Å; Y1975-F1979 PolarHBondContact O-N 2.92Å; Y1975-L2357 HydrophobicContact CD2-CD1 3.92Å; Y1975-L2357 HydrophobicContact CE2-CD1 3.58Å; Y1975-C2360 HydrophobicContact CD2-CB 3.69Å; Y1975-C2360 HydrophobicContact CG-CB 4.44Å; Y1975-L2361 HydrophobicContact CE2-CD2 4.45Å; Y1975-Y2364 HydrophobicContact CD1-CE2 4.21Å; Y1975-Y2364 WeakPolarHBondContact CD1-OH 3.46Å; Y1975-Y2364 AromaticContact CD2-CE2 3.97Å; Y1975-Y2364 HydrophobicContact CD2-CE2 3.97Å; Y1975-Y2364 HydrophobicContact CE1-CE2 4.33Å; Y1975-Y2364 HydrophobicContact CE2-CE2 4.07Å; Y1975-Y2364 HydrophobicContact CG-CE2 4.03Å
1976A87.6Confident88.4Confident1 Ų135.9 Ų35.91%0.00817%0.172CC..Hα-helixtrans-60.5-38.7176.500000112.9F1938 M1942 E1972 N1973 F1974 N1980F1938-A1976 HydrophobicContact CE1-CB 3.78Å; F1938-A1976 HydrophobicContact CZ-CB 3.68Å; M1942-A1976 HydrophobicContact CE-CB 4.28Å; M1942-A1976 HydrophobicContact SD-CB 4.06Å; E1972-A1976 VanDerWaalsContact O-CB 3.29Å; E1972-A1976 WeakPolarHBondContact O-CB 3.23Å; E1972-A1976 PolarHBondContact O-N 3.43Å; N1973-A1976 PolarHBondContact O-N 3.09Å; F1974-A1976 VanDerWaalsContact C-N 3.32Å; F1974-A1976 PolarHBondContact O-N 3.13Å; A1976-N1980 PolarHBondContact O-N 2.87Å; A1976-N1980 PolarHBondContact O-ND2 3.31Å
1977H87.1Confident88.1Confident72 Ų7231.5 Ų31.533%0.33315%0.153SC..Hα-helixtrans-70.8-47.1176.9-164-84.7000111.9N1973 F1974 Y1975 F1979 N1980 I1981 F2347N1973-H1977 PolarHBondContact O-N 3.43Å; F1974-H1977 PolarHBondContact O-N 3.1Å; F1974-H1977 VanDerWaalsContact O-N 3.14Å; Y1975-H1977 VanDerWaalsContact C-N 3.33Å; Y1975-H1977 PolarHBondContact O-N 3.03Å; H1977-F1979 PolarHBondContact O-N 3.12Å; H1977-N1980 PolarHBondContact O-N 3.39Å; H1977-I1981 WeakPolarHBondContact O-CG1 3.38Å; H1977-I1981 PolarHBondContact O-N 3.37Å; H1977-F2347 PolarHBondContact CE1-O 3.29Å
1978I89Confident87.7Confident1 Ų136.1 Ų36.11%0.00517%0.174CC..Hα-helixtrans-61.5-45178.3-65.5158.4000110.9F1974 Y1975 N1980 I1981 K1982 A2353 L2356 L2357 F2386F1974-I1978 HydrophobicContact CB-CD1 4.45Å; F1974-I1978 WeakPolarHBondContact O-CD1 3.28Å; F1974-I1978 VanDerWaalsContact O-CG1 3.26Å; F1974-I1978 WeakPolarHBondContact O-CG1 3.48Å; F1974-I1978 PolarHBondContact O-N 3.31Å; Y1975-I1978 PolarHBondContact O-N 3.31Å; I1978-N1980 VanDerWaalsContact C-N 3.33Å; I1978-N1980 PolarHBondContact O-N 2.97Å; I1978-I1981 PolarHBondContact O-N 2.84Å; I1978-I1981 VanDerWaalsContact O-N 3.12Å; I1978-K1982 PolarHBondContact O-N 3.42Å; I1978-A2353 HydrophobicContact CG2-CB 4.36Å; I1978-L2356 HydrophobicContact CD1-CB 3.8Å; I1978-L2356 HydrophobicContact CG1-CB 4.11Å; I1978-L2356 HydrophobicContact CG1-CD1 4.4Å; I1978-L2356 HydrophobicContact CG2-CB 4.05Å; I1978-L2357 HydrophobicContact CG2-CB 3.8Å; I1978-L2357 HydrophobicContact CG2-CD1 4.15Å; I1978-F2386 HydrophobicContact CD1-CE2 4.28Å; I1978-F2386 HydrophobicContact CD1-CZ 4.01Å; I1978-F2386 HydrophobicContact CG1-CZ 4.24Å
1979F88.3Confident87Confident0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-58.1-43.1177.2175.5-98.1000112.3L1926 T1927 Y1930 F1938 Y1975 H1977 I1981 K1982 C1983L1926-F1979 WeakPolarHBondContact O-CZ 3.33Å; T1927-F1979 VanDerWaalsContact CA-CE2 3.43Å; T1927-F1979 HydrophobicContact CG2-CD1 4Å; T1927-F1979 HydrophobicContact CG2-CD2 3.97Å; T1927-F1979 HydrophobicContact CG2-CE1 3.93Å; T1927-F1979 HydrophobicContact CG2-CE2 3.92Å; T1927-F1979 HydrophobicContact CG2-CG 4.02Å; T1927-F1979 HydrophobicContact CG2-CZ 3.9Å; T1927-F1979 WeakPolarHBondContact O-CE2 3.44Å; Y1930-F1979 AromaticContact CD1-CD2 3.9Å; Y1930-F1979 HydrophobicContact CD1-CD2 3.9Å; Y1930-F1979 AromaticContact CD1-CE2 3.55Å; Y1930-F1979 HydrophobicContact CD1-CE2 3.55Å; Y1930-F1979 AromaticContact CE1-CD2 3.76Å; Y1930-F1979 HydrophobicContact CE1-CD2 3.76Å; Y1930-F1979 AromaticContact CE1-CE2 3.7Å; Y1930-F1979 HydrophobicContact CE1-CE2 3.7Å; F1938-F1979 HydrophobicContact CB-CD1 4.44Å; F1938-F1979 HydrophobicContact CB-CE1 3.88Å; F1938-F1979 AromaticContact CD1-CD1 3.53Å; F1938-F1979 HydrophobicContact CD1-CD1 3.53Å; F1938-F1979 AromaticContact CD1-CE1 3.86Å; F1938-F1979 HydrophobicContact CD1-CE1 3.86Å; F1938-F1979 HydrophobicContact CD2-CD1 4.49Å; F1938-F1979 HydrophobicContact CD2-CE1 4.43Å; F1938-F1979 AromaticContact CE1-CD1 3.81Å; F1938-F1979 HydrophobicContact CE1-CD1 3.81Å; F1938-F1979 AromaticContact CG-CD1 3.91Å; F1938-F1979 HydrophobicContact CG-CD1 3.91Å; F1938-F1979 AromaticContact CG-CE1 3.8Å; F1938-F1979 HydrophobicContact CG-CE1 3.8Å; F1938-F1979 HydrophobicContact CZ-CD1 4.41Å; Y1975-F1979 WeakPolarHBondContact O-CB 3.46Å; Y1975-F1979 PolarHBondContact O-N 2.92Å; H1977-F1979 PolarHBondContact O-N 3.12Å; F1979-I1981 VanDerWaalsContact C-N 3.31Å; F1979-I1981 PolarHBondContact O-N 3.29Å; F1979-K1982 PolarHBondContact O-N 2.91Å; F1979-C1983 VanDerWaalsContact CE1-SG 3.54Å; F1979-C1983 WeakPolarHBondContact CZ-SG 3.43Å; F1979-C1983 PolarHBondContact O-N 3.43Å; F1979-C1983 PolarHBondContact O-SG 3.08Å
1980N88.3Confident86Confident22 Ų2238.4 Ų38.412%0.11820%0.201CC..Hα-helixtrans-61.9-37.6176.1-86.6-64.8000112.4K1939 A1976 H1977 I1978 A1984K1939-N1980 WeakPolarHBondContact CE-OD1 3.43Å; K1939-N1980 WeakPolarHBondContact CG-OD1 3.32Å; A1976-N1980 PolarHBondContact O-N 2.87Å; A1976-N1980 PolarHBondContact O-ND2 3.31Å; H1977-N1980 PolarHBondContact O-N 3.39Å; I1978-N1980 VanDerWaalsContact C-N 3.33Å; I1978-N1980 PolarHBondContact O-N 2.97Å; N1980-A1984 PolarHBondContact O-N 3Å; N1980-A1984 VanDerWaalsContact O-N 3.08Å
1981I88.8Confident85.3Confident12 Ų1238.3 Ų38.36%0.06220%0.196CC..Hα-helixtrans-69-46.2175.5-62.1161.7000110.6H1977 I1978 F1979 C1983 A1984 R1985 F2347 L2350 A2353H1977-I1981 WeakPolarHBondContact O-CG1 3.38Å; H1977-I1981 PolarHBondContact O-N 3.37Å; I1978-I1981 PolarHBondContact O-N 2.84Å; I1978-I1981 VanDerWaalsContact O-N 3.12Å; F1979-I1981 VanDerWaalsContact C-N 3.31Å; F1979-I1981 PolarHBondContact O-N 3.29Å; I1981-C1983 VanDerWaalsContact C-N 3.29Å; I1981-C1983 PolarHBondContact O-N 3.42Å; I1981-A1984 WeakPolarHBondContact O-CA 3.49Å; I1981-A1984 WeakPolarHBondContact O-CB 3.38Å; I1981-A1984 PolarHBondContact O-N 3.47Å; I1981-R1985 HydrophobicContact CG2-CG 4.25Å; I1981-R1985 PolarHBondContact O-N 2.92Å; I1981-F2347 WeakPolarHBondContact CD1-O 3.23Å; I1981-L2350 HydrophobicContact CD1-CD1 4.14Å; I1981-A2353 HydrophobicContact CB-CB 4.4Å; I1981-A2353 HydrophobicContact CG2-CB 3.98Å
1982K87.9Confident84.6Confident29 Ų2939.7 Ų39.713%0.12621%0.205CC..Hα-helixtrans-55.7-44.9176.7178.454.8165-176.90111.3Y1930 I1978 F1979 A1984 R1985 Q1986 D2354 L2357Y1930-K1982 HydrophobicContact CD1-CB 4.22Å; Y1930-K1982 HydrophobicContact CD1-CG 3.47Å; Y1930-K1982 VanDerWaalsContact CD1-CG 3.47Å; Y1930-K1982 HydrophobicContact CD2-CG 4.22Å; Y1930-K1982 HydrophobicContact CE1-CG 3.87Å; Y1930-K1982 HydrophobicContact CG-CG 3.69Å; I1978-K1982 PolarHBondContact O-N 3.42Å; F1979-K1982 PolarHBondContact O-N 2.91Å; K1982-A1984 PolarHBondContact O-N 2.73Å; K1982-R1985 PolarHBondContact O-N 3.39Å; K1982-Q1986 WeakPolarHBondContact O-CB 3.29Å; K1982-Q1986 PolarHBondContact O-N 3.26Å; K1982-D2354 WeakPolarHBondContact CD-OD1 3.44Å; K1982-D2354 WeakPolarHBondContact CE-OD1 3.43Å; K1982-D2354 IonicContact NZ-OD1 3.69Å; K1982-D2354 PolarHBondContact NZ-OD1 2.87Å; K1982-D2354 IonicContact NZ-OD2 2.67Å; K1982-D2354 PolarHBondContact NZ-OD2 2.92Å; K1982-L2357 HydrophobicContact CB-CD2 4.3Å; K1982-L2357 HydrophobicContact CG-CD2 4.01Å
1983C88.5Confident83.7Confident0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-64.3-37.1175.2-62.50000113.1M1935 F1979 I1981 F1987M1935-C1983 HydrophobicContact CB-CB 3.72Å; M1935-C1983 HydrophobicContact CG-CB 4.04Å; M1935-C1983 HydrophobicContact SD-CB 4.24Å; F1979-C1983 VanDerWaalsContact CE1-SG 3.54Å; F1979-C1983 WeakPolarHBondContact CZ-SG 3.43Å; F1979-C1983 PolarHBondContact O-N 3.43Å; F1979-C1983 PolarHBondContact O-SG 3.08Å; I1981-C1983 VanDerWaalsContact C-N 3.29Å; I1981-C1983 PolarHBondContact O-N 3.42Å; C1983-F1987 WeakPolarHBondContact O-CB 3.49Å; C1983-F1987 PolarHBondContact O-N 2.85Å
1984A86.7Confident82.7Confident34 Ų3441.7 Ų41.728%0.28123%0.229SC..Hα-helixtrans-65.8-44.6176.300000111.9N1980 I1981 K1982 F1987 E1988N1980-A1984 PolarHBondContact O-N 3Å; N1980-A1984 VanDerWaalsContact O-N 3.08Å; I1981-A1984 WeakPolarHBondContact O-CA 3.49Å; I1981-A1984 WeakPolarHBondContact O-CB 3.38Å; I1981-A1984 PolarHBondContact O-N 3.47Å; K1982-A1984 PolarHBondContact O-N 2.73Å; A1984-F1987 WeakPolarHBondContact O-CB 3.32Å; A1984-F1987 PolarHBondContact O-N 3.27Å; A1984-E1988 WeakPolarHBondContact O-CG 3.46Å; A1984-E1988 PolarHBondContact O-N 2.92Å
1985R86.9Confident81.9Confident62 Ų6251.2 Ų51.223%0.23426%0.264CS..Hα-helixtrans-67.2-37.8175.9-60.7-54.2179.4-152.9-4.8112.3I1981 K1982 F1987 E1988 A1989 E2349 L2350I1981-R1985 HydrophobicContact CG2-CG 4.25Å; I1981-R1985 PolarHBondContact O-N 2.92Å; K1982-R1985 PolarHBondContact O-N 3.39Å; R1985-F1987 VanDerWaalsContact C-N 3.33Å; R1985-F1987 PolarHBondContact O-N 2.9Å; R1985-E1988 WeakPolarHBondContact CD-OE2 3.38Å; R1985-E1988 IonicContact CZ-OE2 3.77Å; R1985-E1988 IonicContact NE-OE2 3.27Å; R1985-E1988 IonicContact NH1-OE1 3.16Å; R1985-E1988 PolarHBondContact NH1-OE1 3.07Å; R1985-E1988 IonicContact NH1-OE2 2.65Å; R1985-E1988 PolarHBondContact NH1-OE2 3.32Å; R1985-E1988 PolarHBondContact O-N 3.49Å; R1985-A1989 PolarHBondContact O-N 3.45Å; R1985-E2349 IonicContact CZ-OE2 3.82Å; R1985-E2349 IonicContact NH1-OE2 3.13Å; R1985-E2349 IonicContact NH2-OE2 2.7Å; R1985-E2349 PolarHBondContact NH2-OE2 3.22Å; R1985-L2350 PolarHBondContact NE-O 3.26Å; R1985-L2350 PolarHBondContact NH2-O 3.04Å
1986Q82.3Confident81Confident87 Ų8754.3 Ų54.341%0.40730%0.301SS..Hα-helixtrans-65.2-36173.4-166.267.821.800112.1Y1930 K1982 A1989 A1990Y1930-Q1986 WeakPolarHBondContact O-CB 3.41Å; Y1930-Q1986 WeakPolarHBondContact O-CG 2.95Å; K1982-Q1986 WeakPolarHBondContact O-CB 3.29Å; K1982-Q1986 PolarHBondContact O-N 3.26Å; Q1986-A1989 PolarHBondContact O-N 3.05Å; Q1986-A1990 WeakPolarHBondContact O-CB 3.34Å; Q1986-A1990 PolarHBondContact O-N 3.43Å
1987F82.6Confident80Confident73 Ų7358.9 Ų58.932%0.3232%0.324SS..Hα-helixtrans-66.4-41.7172.5172.2-96.5000112.2M1932 C1983 A1984 R1985 A1989 A1990 Y1991M1932-F1987 HydrophobicContact CB-CD2 4.06Å; M1932-F1987 HydrophobicContact CG-CD2 4.33Å; M1932-F1987 HydrophobicContact CG-CE2 4.5Å; M1932-F1987 HydrophobicContact SD-CD2 4.04Å; M1932-F1987 HydrophobicContact SD-CE2 3.64Å; C1983-F1987 WeakPolarHBondContact O-CB 3.49Å; C1983-F1987 PolarHBondContact O-N 2.85Å; A1984-F1987 WeakPolarHBondContact O-CB 3.32Å; A1984-F1987 PolarHBondContact O-N 3.27Å; R1985-F1987 VanDerWaalsContact C-N 3.33Å; R1985-F1987 PolarHBondContact O-N 2.9Å; F1987-A1989 VanDerWaalsContact C-N 3.29Å; F1987-A1989 PolarHBondContact O-N 3.24Å; F1987-A1990 PolarHBondContact O-N 2.85Å; F1987-Y1991 AromaticContact CD2-CD2 3.44Å; F1987-Y1991 HydrophobicContact CD2-CD2 3.44Å; F1987-Y1991 VanDerWaalsContact CD2-CD2 3.44Å; F1987-Y1991 AromaticContact CD2-CE2 3.76Å; F1987-Y1991 HydrophobicContact CD2-CE2 3.76Å; F1987-Y1991 HydrophobicContact CD2-CG 4.47Å; F1987-Y1991 AromaticContact CE2-CD2 3.36Å; F1987-Y1991 HydrophobicContact CE2-CD2 3.36Å; F1987-Y1991 AromaticContact CE2-CE2 3.71Å; F1987-Y1991 HydrophobicContact CE2-CE2 3.71Å; F1987-Y1991 HydrophobicContact CE2-CG 4.06Å; F1987-Y1991 HydrophobicContact CG-CD2 4.29Å; F1987-Y1991 HydrophobicContact CZ-CD2 4.16Å; F1987-Y1991 HydrophobicContact CZ-CG 4.5Å; F1987-Y1991 PolarHBondContact O-N 3.36Å
1988E80.3Confident79.3Confident106 Ų10660.5 Ų60.550%0.49534%0.341SS..Hα-helixtrans-61.9-35.7174-72.3175162.100112.4A1984 R1985A1984-E1988 WeakPolarHBondContact O-CG 3.46Å; A1984-E1988 PolarHBondContact O-N 2.92Å; R1985-E1988 WeakPolarHBondContact CD-OE2 3.38Å; R1985-E1988 IonicContact CZ-OE2 3.77Å; R1985-E1988 IonicContact NE-OE2 3.27Å; R1985-E1988 IonicContact NH1-OE1 3.16Å; R1985-E1988 PolarHBondContact NH1-OE1 3.07Å; R1985-E1988 IonicContact NH1-OE2 2.65Å; R1985-E1988 PolarHBondContact NH1-OE2 3.32Å; R1985-E1988 PolarHBondContact O-N 3.49Å
1989A76.1Confident78.4Confident54 Ų5468.4 Ų68.445%0.44638%0.375SS..Hα-helixtrans-69.9-45.5173.500000112.7R1985 Q1986 F1987 Y1991R1985-A1989 PolarHBondContact O-N 3.45Å; Q1986-A1989 PolarHBondContact O-N 3.05Å; F1987-A1989 VanDerWaalsContact C-N 3.29Å; F1987-A1989 PolarHBondContact O-N 3.24Å; A1989-Y1991 VanDerWaalsContact C-N 3.32Å; A1989-Y1991 PolarHBondContact O-N 2.87Å
1990A71.2Confident77.5Confident39 Ų3969.3 Ų69.332%0.32239%0.385SS..Hα-helixtrans-71.8-21.4-177.900000114.4Q1986 F1987Q1986-A1990 WeakPolarHBondContact O-CB 3.34Å; Q1986-A1990 PolarHBondContact O-N 3.43Å; F1987-A1990 PolarHBondContact O-N 2.85Å
1991Y75Confident77.1Confident66 Ų6675.2 Ų75.226%0.25941%0.41SS..SBendtrans-128.469.6179.7-63.6-84.1000111.2Q1402 Y1405 F1987 A1989 A1993Q1402-Y1991 HydrophobicContact CG-CE1 4.37Å; Y1405-Y1991 HydrophobicContact CD1-CD1 4.11Å; Y1405-Y1991 AromaticContact CD2-CD1 3.82Å; Y1405-Y1991 HydrophobicContact CD2-CD1 3.82Å; Y1405-Y1991 HydrophobicContact CD2-CG 4.47Å; Y1405-Y1991 HydrophobicContact CE2-CD1 4.28Å; Y1405-Y1991 AromaticContact CG-CD1 3.72Å; Y1405-Y1991 HydrophobicContact CG-CD1 3.72Å; Y1405-Y1991 HydrophobicContact CG-CE1 4.36Å; Y1405-Y1991 PolarHBondContact OH-O 3.47Å; F1987-Y1991 AromaticContact CD2-CD2 3.44Å; F1987-Y1991 HydrophobicContact CD2-CD2 3.44Å; F1987-Y1991 VanDerWaalsContact CD2-CD2 3.44Å; F1987-Y1991 AromaticContact CD2-CE2 3.76Å; F1987-Y1991 HydrophobicContact CD2-CE2 3.76Å; F1987-Y1991 HydrophobicContact CD2-CG 4.47Å; F1987-Y1991 AromaticContact CE2-CD2 3.36Å; F1987-Y1991 HydrophobicContact CE2-CD2 3.36Å; F1987-Y1991 AromaticContact CE2-CE2 3.71Å; F1987-Y1991 HydrophobicContact CE2-CE2 3.71Å; F1987-Y1991 HydrophobicContact CE2-CG 4.06Å; F1987-Y1991 HydrophobicContact CG-CD2 4.29Å; F1987-Y1991 HydrophobicContact CZ-CD2 4.16Å; F1987-Y1991 HydrophobicContact CZ-CG 4.5Å; F1987-Y1991 PolarHBondContact O-N 3.36Å; A1989-Y1991 VanDerWaalsContact C-N 3.32Å; A1989-Y1991 PolarHBondContact O-N 2.87Å; Y1991-A1993 PolarHBondContact O-N 3.14Å
1992P72.9Confident76.2Confident28 Ų2878.1 Ų78.118%0.18243%0.425CS..PPolyproline II helixtrans-66.9128.5-172.327-34.9000112.2A1434 L1435A1434-P1992 HydrophobicContact CB-CG 4.46Å; L1435-P1992 HydrophobicContact CB-CG 4.41Å; L1435-P1992 HydrophobicContact CD1-CB 4.14Å; L1435-P1992 HydrophobicContact CD1-CG 4.21Å
1993A70.4Confident75.6Confident78 Ų7880.2 Ų80.265%0.64544%0.44SS*.PPolyproline II helixtrans-94.2129.1176.400000111.5Y1991 R1995Y1991-A1993 PolarHBondContact O-N 3.14Å; A1993-R1995 PolarHBondContact O-N 2.83Å
1994P69.2Low75.1Confident43 Ų4386.2 Ų86.228%0.27947%0.466SS..PPolyproline II helixtrans-68132.6-178.426.4-34.5000112.3V1438 I1997V1438-P1994 HydrophobicContact CG1-CG 4.03Å; P1994-I1997 HydrophobicContact CB-CD1 3.79Å; P1994-I1997 HydrophobicContact CB-CG1 4.12Å; P1994-I1997 HydrophobicContact CG-CB 4.23Å; P1994-I1997 HydrophobicContact CG-CD1 3.65Å; P1994-I1997 HydrophobicContact CG-CG1 4.08Å
1995R71.6Confident74.8Confident252 Ų25292.8 Ų92.895%0.95149%0.485SS*.THydrogen-bonded Turntrans-66.7133.2-178.4-174178.5179.2-170.6-1.5111.1A1993A1993-R1995 PolarHBondContact O-N 2.83Å
1996G69.8Low74.2Confident82 Ų8296.1 Ų96.185%0.84551%0.505SS*.THydrogen-bonded Turntrans87.2-5.1174.100000115.7
1997I68.3Low74Confident96 Ų9698.6 Ų98.649%0.49252%0.518SS..PPolyproline II helixtrans-87.9134.8178.2-55.4-163.9000110.3P1994 K1999P1994-I1997 HydrophobicContact CB-CD1 3.79Å; P1994-I1997 HydrophobicContact CB-CG1 4.12Å; P1994-I1997 HydrophobicContact CG-CB 4.23Å; P1994-I1997 HydrophobicContact CG-CD1 3.65Å; P1994-I1997 HydrophobicContact CG-CG1 4.08Å; I1997-K1999 PolarHBondContact O-N 3.2Å
1998P70.7Confident73.9Confident106 Ų10696.5 Ų96.569%0.68852%0.517SS*.PPolyproline II helixtrans-65.9133.6175.227.1-34.9000111.2G2000P1998-G2000 PolarHBondContact O-N 3.11Å
1999K71.7Confident74Confident167 Ų16797.4 Ų97.473%0.72652%0.519SS*.PPolyproline II helixtrans-51.7126.7173.1-72.6-166.8177.7-172.90110.8I1997 K2004I1997-K1999 PolarHBondContact O-N 3.2Å; K1999-K2004 WeakPolarHBondContact O-CE 3.42Å; K1999-K2004 PolarHBondContact O-NZ 2.69Å
2000G69Low74.1Confident20 Ų2098.2 Ų98.221%0.20652%0.52CS..PPolyproline II helixtrans-52.2149.9-176.400000113.5P1998 L2002 V2003P1998-G2000 PolarHBondContact O-N 3.11Å; G2000-L2002 VanDerWaalsContact C-N 3.3Å; G2000-L2002 PolarHBondContact O-N 3.49Å; G2000-V2003 PolarHBondContact O-N 3.19Å
2001K78.5Confident74.6Confident146 Ų146101.3 Ų101.364%0.63553%0.53SS*.Hα-helixtrans-63.8-39.3-170.4-66.1170.9-172.8162.70111.4D1411 V2003 K2004 Y2005D1411-K2001 PolarHBondContact OD1-N 2.93Å; K2001-V2003 PolarHBondContact O-N 2.96Å; K2001-K2004 PolarHBondContact O-N 3.29Å; K2001-Y2005 HydrophobicContact CB-CE2 4.37Å; K2001-Y2005 WeakPolarHBondContact O-CD2 3.27Å; K2001-Y2005 PolarHBondContact O-N 2.96Å
2002L71.3Confident75Confident73 Ų73103.3 Ų103.338%0.38254%0.544SS..Hα-helixtrans-60.6-44.8-178.3-170.2151.5000112.1L1412 G2000 K2004 Y2005 M2006L1412-L2002 HydrophobicContact CD1-CD1 4.09Å; G2000-L2002 VanDerWaalsContact C-N 3.3Å; G2000-L2002 PolarHBondContact O-N 3.49Å; L2002-K2004 VanDerWaalsContact C-N 3.3Å; L2002-K2004 PolarHBondContact O-N 3.46Å; L2002-Y2005 PolarHBondContact O-N 3.32Å; L2002-M2006 HydrophobicContact CD2-CG 3.7Å; L2002-M2006 HydrophobicContact CG-CG 4.33Å; L2002-M2006 WeakPolarHBondContact O-CB 3.44Å; L2002-M2006 WeakPolarHBondContact O-CG 3.37Å; L2002-M2006 PolarHBondContact O-N 2.88Å
2003V73.9Confident75.6Confident73 Ų73105.4 Ų105.444%0.44255%0.553SS.*Hα-helixtrans-61.5-39179.1-179.30000111.5G2000 K2001 M2007G2000-V2003 PolarHBondContact O-N 3.19Å; K2001-V2003 PolarHBondContact O-N 2.96Å; V2003-M2007 WeakPolarHBondContact O-CB 3.38Å; V2003-M2007 PolarHBondContact O-N 3.49Å
2004K78.4Confident75.9Confident126 Ų126103.6 Ų103.655%0.54854%0.542SS..Hα-helixtrans-64.2-44.4177.1-67.3175.8177.71670112K1999 K2001 L2002 G2008K1999-K2004 WeakPolarHBondContact O-CE 3.42Å; K1999-K2004 PolarHBondContact O-NZ 2.69Å; K2001-K2004 PolarHBondContact O-N 3.29Å; L2002-K2004 VanDerWaalsContact C-N 3.3Å; L2002-K2004 PolarHBondContact O-N 3.46Å; K2004-G2008 PolarHBondContact O-N 3.12Å
2005Y80.4Confident76.5Confident171 Ų171104.7 Ų104.767%0.67155%0.548SS*.Hα-helixtrans-68.6-45.6177.4-70.2-63.2000112.1K2001 L2002 M2007 G2008 F2009K2001-Y2005 HydrophobicContact CB-CE2 4.37Å; K2001-Y2005 WeakPolarHBondContact O-CD2 3.27Å; K2001-Y2005 PolarHBondContact O-N 2.96Å; L2002-Y2005 PolarHBondContact O-N 3.32Å; Y2005-M2007 VanDerWaalsContact C-N 3.3Å; Y2005-M2007 PolarHBondContact O-N 2.98Å; Y2005-G2008 PolarHBondContact O-N 2.73Å; Y2005-F2009 WeakPolarHBondContact O-CB 3.46Å; Y2005-F2009 PolarHBondContact O-N 3.16Å
2006M74.8Confident77Confident133 Ų13396.2 Ų96.266%0.65552%0.524SS*.Hα-helixtrans-63.8-31.3-179.4-71.5-61.5-67.600113.4L2002 P2010L2002-M2006 HydrophobicContact CD2-CG 3.7Å; L2002-M2006 HydrophobicContact CG-CG 4.33Å; L2002-M2006 WeakPolarHBondContact O-CB 3.44Å; L2002-M2006 WeakPolarHBondContact O-CG 3.37Å; L2002-M2006 PolarHBondContact O-N 2.88Å; M2006-P2010 WeakPolarHBondContact O-CD 3.3Å; M2006-P2010 VanDerWaalsContact O-CG 3.27Å; M2006-P2010 WeakPolarHBondContact O-CG 3.04Å
2007M78.2Confident77.5Confident138 Ų13897.4 Ų97.468%0.6851%0.51SS*.Hα-helixtrans-85-44.3175.9-170.2178.2-179.400112.6V2003 Y2005 I2011V2003-M2007 WeakPolarHBondContact O-CB 3.38Å; V2003-M2007 PolarHBondContact O-N 3.49Å; Y2005-M2007 VanDerWaalsContact C-N 3.3Å; Y2005-M2007 PolarHBondContact O-N 2.98Å; M2007-I2011 VanDerWaalsContact O-CD1 3.31Å; M2007-I2011 WeakPolarHBondContact O-CD1 3.12Å; M2007-I2011 WeakPolarHBondContact O-CG1 3.31Å
2008G79.3Confident77.9Confident29 Ų2996.9 Ų96.930%0.29950%0.504SS..Hα-helixtrans-81.3-39.5-172.400000114.9K2004 Y2005 I2011 I2012K2004-G2008 PolarHBondContact O-N 3.12Å; Y2005-G2008 PolarHBondContact O-N 2.73Å; G2008-I2011 PolarHBondContact O-N 3.03Å; G2008-I2012 WeakPolarHBondContact O-CG1 3.43Å; G2008-I2012 PolarHBondContact O-N 3.16Å
2009F82.9Confident78.4Confident125 Ų12595.2 Ų95.255%0.54849%0.488SS..Hα-helixtrans-68.5-42-172.7-174.2-113.2000113.8Y2005 I2011 I2012 I2013Y2005-F2009 WeakPolarHBondContact O-CB 3.46Å; Y2005-F2009 PolarHBondContact O-N 3.16Å; F2009-I2011 VanDerWaalsContact C-N 3.33Å; F2009-I2011 PolarHBondContact O-N 3.42Å; F2009-I2012 PolarHBondContact O-N 3.2Å; F2009-I2013 HydrophobicContact CD1-CD1 3.84Å; F2009-I2013 HydrophobicContact CE1-CD1 3.34Å; F2009-I2013 HydrophobicContact CE1-CG1 4.38Å; F2009-I2013 HydrophobicContact CE2-CD1 4.15Å; F2009-I2013 HydrophobicContact CE2-CG1 4.47Å; F2009-I2013 HydrophobicContact CG-CD1 4.45Å; F2009-I2013 HydrophobicContact CZ-CD1 3.52Å; F2009-I2013 HydrophobicContact CZ-CG1 4.31Å; F2009-I2013 PolarHBondContact O-N 3.43Å
2010P79.6Confident78.8Confident71 Ų7192.9 Ų92.946%0.46148%0.479SS..Hα-helixtrans-64.6-35.2176.5-23.636.6000113.2M2006 I2013 G2014M2006-P2010 WeakPolarHBondContact O-CD 3.3Å; M2006-P2010 VanDerWaalsContact O-CG 3.27Å; M2006-P2010 WeakPolarHBondContact O-CG 3.04Å; P2010-I2013 PolarHBondContact O-N 3.49Å; P2010-G2014 PolarHBondContact O-N 2.97Å
2011I79.9Confident79Confident105 Ų10594.9 Ų94.954%0.53849%0.489SS..Hα-helixtrans-63.1-44.8176.2-62.9174.6000110.1M2007 G2008 F2009 G2014 V2015M2007-I2011 VanDerWaalsContact O-CD1 3.31Å; M2007-I2011 WeakPolarHBondContact O-CD1 3.12Å; M2007-I2011 WeakPolarHBondContact O-CG1 3.31Å; G2008-I2011 PolarHBondContact O-N 3.03Å; F2009-I2011 VanDerWaalsContact C-N 3.33Å; F2009-I2011 PolarHBondContact O-N 3.42Å; I2011-G2014 PolarHBondContact O-N 3.21Å; I2011-V2015 WeakPolarHBondContact O-CG2 3.29Å; I2011-V2015 PolarHBondContact O-N 3.33Å
2012I84.1Confident78.6Confident108 Ų10890.1 Ų90.155%0.55447%0.474SS*.Hα-helixtrans-62.7-46.7176.8-66.2165.1000110.9G2008 F2009 G2014 V2015 V2016G2008-I2012 WeakPolarHBondContact O-CG1 3.43Å; G2008-I2012 PolarHBondContact O-N 3.16Å; F2009-I2012 PolarHBondContact O-N 3.2Å; I2012-G2014 PolarHBondContact O-N 3.37Å; I2012-V2015 PolarHBondContact O-N 3.21Å; I2012-V2016 WeakPolarHBondContact O-CG2 3.48Å; I2012-V2016 PolarHBondContact O-N 3.19Å; I2012-V2016 VanDerWaalsContact O-N 3.08Å
2013I85Confident78.6Confident71 Ų7190.5 Ų90.536%0.36448%0.476SS..Hα-helixtrans-61-44.5177.9-75.7-179.3000111.6F2009 P2010 V2015 V2016 I2017F2009-I2013 HydrophobicContact CD1-CD1 3.84Å; F2009-I2013 HydrophobicContact CE1-CD1 3.34Å; F2009-I2013 HydrophobicContact CE1-CG1 4.38Å; F2009-I2013 HydrophobicContact CE2-CD1 4.15Å; F2009-I2013 HydrophobicContact CE2-CG1 4.47Å; F2009-I2013 HydrophobicContact CG-CD1 4.45Å; F2009-I2013 HydrophobicContact CZ-CD1 3.52Å; F2009-I2013 HydrophobicContact CZ-CG1 4.31Å; F2009-I2013 PolarHBondContact O-N 3.43Å; P2010-I2013 PolarHBondContact O-N 3.49Å; I2013-V2015 VanDerWaalsContact C-N 3.32Å; I2013-V2015 PolarHBondContact O-N 3.38Å; I2013-V2016 PolarHBondContact O-N 3.03Å; I2013-V2016 VanDerWaalsContact O-N 3.16Å; I2013-I2017 HydrophobicContact CG2-CD1 3.56Å; I2013-I2017 HydrophobicContact CG2-CG1 4.15Å; I2013-I2017 WeakPolarHBondContact O-CG1 3.43Å; I2013-I2017 PolarHBondContact O-N 2.94Å
2014G77.7Confident78.5Confident40 Ų4092 Ų9241%0.41248%0.481SS..Hα-helixtrans-57.8-43.8179.200000112.4P2010 I2011 I2012 F2018P2010-G2014 PolarHBondContact O-N 2.97Å; I2011-G2014 PolarHBondContact O-N 3.21Å; I2012-G2014 PolarHBondContact O-N 3.37Å; G2014-F2018 WeakPolarHBondContact O-CB 3.26Å; G2014-F2018 PolarHBondContact O-N 3.21Å; G2014-F2018 VanDerWaalsContact O-N 3.09Å
2015V80.9Confident77.9Confident67 Ų6791 Ų9141%0.40648%0.48SS..Hα-helixtrans-64.2-42.9175.6173.80000111.7I2011 I2012 I2013 F2018 I2019I2011-V2015 WeakPolarHBondContact O-CG2 3.29Å; I2011-V2015 PolarHBondContact O-N 3.33Å; I2012-V2015 PolarHBondContact O-N 3.21Å; I2013-V2015 VanDerWaalsContact C-N 3.32Å; I2013-V2015 PolarHBondContact O-N 3.38Å; V2015-F2018 PolarHBondContact O-N 3.46Å; V2015-I2019 HydrophobicContact CG1-CD1 3.88Å; V2015-I2019 WeakPolarHBondContact O-CG1 3.31Å; V2015-I2019 PolarHBondContact O-N 2.84Å
2016V83.2Confident77.2Confident74 Ų7489.1 Ų89.145%0.44847%0.472SS..Hα-helixtrans-64.8-46.6179.1171.50000111.7I2012 I2013 F2018 I2019 F2020I2012-V2016 WeakPolarHBondContact O-CG2 3.48Å; I2012-V2016 PolarHBondContact O-N 3.19Å; I2012-V2016 VanDerWaalsContact O-N 3.08Å; I2013-V2016 PolarHBondContact O-N 3.03Å; I2013-V2016 VanDerWaalsContact O-N 3.16Å; V2016-F2018 VanDerWaalsContact C-N 3.3Å; V2016-F2018 PolarHBondContact O-N 3.43Å; V2016-I2019 PolarHBondContact O-N 3.32Å; V2016-F2020 HydrophobicContact CG1-CD2 3.93Å; V2016-F2020 HydrophobicContact CG1-CE2 4.3Å; V2016-F2020 WeakPolarHBondContact O-CD2 3.42Å; V2016-F2020 PolarHBondContact O-N 3.31Å; V2016-F2020 VanDerWaalsContact O-N 3.13Å
2017I79.9Confident76.9Confident106 Ų10686.2 Ų86.254%0.54447%0.465SS..Hα-helixtrans-59.6-43.8177.6-69.2173.9000110.3I2013 I2019 F2020 S2021I2013-I2017 HydrophobicContact CG2-CD1 3.56Å; I2013-I2017 HydrophobicContact CG2-CG1 4.15Å; I2013-I2017 WeakPolarHBondContact O-CG1 3.43Å; I2013-I2017 PolarHBondContact O-N 2.94Å; I2017-I2019 VanDerWaalsContact C-N 3.35Å; I2017-I2019 PolarHBondContact O-N 3.03Å; I2017-F2020 PolarHBondContact O-N 2.66Å; I2017-S2021 WeakPolarHBondContact O-CB 3.43Å; I2017-S2021 PolarHBondContact O-N 3.46Å
2018F77.1Confident76.3Confident85 Ų8584.6 Ų84.637%0.37346%0.458SS..Hα-helixtrans-63.5-38.2-178.3-162.6-89.1000113.1G2014 V2015 V2016 V2325 V2329G2014-F2018 WeakPolarHBondContact O-CB 3.26Å; G2014-F2018 PolarHBondContact O-N 3.21Å; G2014-F2018 VanDerWaalsContact O-N 3.09Å; V2015-F2018 PolarHBondContact O-N 3.46Å; V2016-F2018 VanDerWaalsContact C-N 3.3Å; V2016-F2018 PolarHBondContact O-N 3.43Å; F2018-V2325 HydrophobicContact CE1-CG1 3.78Å; F2018-V2325 HydrophobicContact CZ-CG1 3.5Å; F2018-V2325 VanDerWaalsContact CZ-CG1 3.5Å; F2018-V2329 HydrophobicContact CD1-CB 4.27Å; F2018-V2329 HydrophobicContact CD1-CG1 3.97Å; F2018-V2329 HydrophobicContact CD1-CG2 4.49Å; F2018-V2329 HydrophobicContact CE1-CB 3.58Å; F2018-V2329 HydrophobicContact CE1-CG1 3.77Å; F2018-V2329 HydrophobicContact CE1-CG2 3.52Å; F2018-V2329 HydrophobicContact CE2-CG2 4.05Å; F2018-V2329 HydrophobicContact CZ-CB 3.9Å; F2018-V2329 HydrophobicContact CZ-CG1 4.16Å; F2018-V2329 HydrophobicContact CZ-CG2 3.26Å
2019I80Confident75.4Confident71 Ų7185.3 Ų85.336%0.36446%0.455SS..Hα-helixtrans-70.8-43.2178.6-67.8167.3000111.6V2015 V2016 I2017V2015-I2019 HydrophobicContact CG1-CD1 3.88Å; V2015-I2019 WeakPolarHBondContact O-CG1 3.31Å; V2015-I2019 PolarHBondContact O-N 2.84Å; V2016-I2019 PolarHBondContact O-N 3.32Å; I2017-I2019 VanDerWaalsContact C-N 3.35Å; I2017-I2019 PolarHBondContact O-N 3.03Å
2020F81.3Confident74.3Confident118 Ų11884 Ų8452%0.51845%0.454SS..Hα-helixtrans-92.6-21.3-172.2-73-72.7000115.2V2016 I2017 L2023 L2024V2016-F2020 HydrophobicContact CG1-CD2 3.93Å; V2016-F2020 HydrophobicContact CG1-CE2 4.3Å; V2016-F2020 WeakPolarHBondContact O-CD2 3.42Å; V2016-F2020 PolarHBondContact O-N 3.31Å; V2016-F2020 VanDerWaalsContact O-N 3.13Å; I2017-F2020 PolarHBondContact O-N 2.66Å; F2020-L2023 HydrophobicContact CD1-CD1 4.38Å; F2020-L2023 WeakPolarHBondContact O-CB 3.39Å; F2020-L2023 PolarHBondContact O-N 3.07Å; F2020-L2024 PolarHBondContact O-N 2.97Å
2021S73.8Confident73.4Confident62 Ų6288.5 Ų88.543%0.43447%0.469SS..Hα-helixtrans-55.8-44-176.1173.10000114.1I2017 L2023 L2024 L2025I2017-S2021 WeakPolarHBondContact O-CB 3.43Å; I2017-S2021 PolarHBondContact O-N 3.46Å; S2021-L2023 PolarHBondContact O-N 2.9Å; S2021-L2024 PolarHBondContact O-N 3.41Å; S2021-L2025 WeakPolarHBondContact O-CB 3.22Å; S2021-L2025 PolarHBondContact O-N 3.26Å
2022P68.4Low72.6Confident47 Ų4787.7 Ų87.731%0.30547%0.465SS..Hα-helixtrans-65.9-34.6178.5-22.634.9000113.9W2026 Y2322P2022-W2026 PolarHBondContact O-N 3.12Å; P2022-W2026 VanDerWaalsContact O-N 3.1Å; P2022-Y2322 HydrophobicContact CB-CD2 3.66Å; P2022-Y2322 HydrophobicContact CB-CE2 4Å; P2022-Y2322 HydrophobicContact CG-CD2 3.95Å; P2022-Y2322 HydrophobicContact CG-CE2 4.12Å
2023L71.1Confident71.6Confident81 Ų8183.7 Ų83.742%0.42445%0.45SS..Hα-helixtrans-66.7-43.5175.6-84156.4000111.4F2020 S2021 W2026 S2027F2020-L2023 HydrophobicContact CD1-CD1 4.38Å; F2020-L2023 WeakPolarHBondContact O-CB 3.39Å; F2020-L2023 PolarHBondContact O-N 3.07Å; S2021-L2023 PolarHBondContact O-N 2.9Å; L2023-W2026 PolarHBondContact O-N 3.33Å; L2023-S2027 PolarHBondContact O-N 3.26Å
2024L71.8Confident70.8Confident105 Ų10584.3 Ų84.355%0.5546%0.457SS..Hα-helixtrans-63-46.4176.1-113.2162.4000111.3F2020 S2021 W2026 S2027 L2028F2020-L2024 PolarHBondContact O-N 2.97Å; S2021-L2024 PolarHBondContact O-N 3.41Å; L2024-W2026 VanDerWaalsContact C-N 3.32Å; L2024-W2026 PolarHBondContact O-N 3.27Å; L2024-S2027 PolarHBondContact O-N 2.93Å; L2024-S2027 PolarHBondContact O-OG 3.46Å; L2024-L2028 HydrophobicContact CD2-CD1 4.21Å; L2024-L2028 WeakPolarHBondContact O-CG 3.31Å; L2024-L2028 PolarHBondContact O-N 2.92Å
2025L65.9Low70.3Confident103 Ų10385 Ų8554%0.53945%0.451SS..Hα-helixtrans-58-43.9177.6-161.782.3000111.4S2021 S2027 L2028 L2029S2021-L2025 WeakPolarHBondContact O-CB 3.22Å; S2021-L2025 PolarHBondContact O-N 3.26Å; L2025-S2027 PolarHBondContact O-N 3.29Å; L2025-L2028 PolarHBondContact O-N 3.33Å; L2025-L2029 HydrophobicContact CD2-CD1 3.93Å; L2025-L2029 HydrophobicContact CG-CD1 3.76Å; L2025-L2029 HydrophobicContact CG-CG 4.27Å; L2025-L2029 WeakPolarHBondContact O-CB 3.44Å; L2025-L2029 VanDerWaalsContact O-CG 3.27Å; L2025-L2029 WeakPolarHBondContact O-CG 3.5Å; L2025-L2029 PolarHBondContact O-N 3.39Å
2026W67.3Low69.7Low133 Ų13383.1 Ų83.150%0.50444%0.441SS..Hα-helixtrans-62.9-42.5179-177.333000113.1P2022 L2023 L2024 L2028P2022-W2026 PolarHBondContact O-N 3.12Å; P2022-W2026 VanDerWaalsContact O-N 3.1Å; L2023-W2026 PolarHBondContact O-N 3.33Å; L2024-W2026 VanDerWaalsContact C-N 3.32Å; L2024-W2026 PolarHBondContact O-N 3.27Å; W2026-L2028 VanDerWaalsContact C-N 3.29Å; W2026-L2028 PolarHBondContact O-N 3.09Å
2027S68.2Low69.2Low72 Ų7284.2 Ų84.250%0.50344%0.442SS..Hα-helixtrans-64.9-31.417868.40000113.8L2023 L2024 L2025L2023-S2027 PolarHBondContact O-N 3.26Å; L2024-S2027 PolarHBondContact O-N 2.93Å; L2024-S2027 PolarHBondContact O-OG 3.46Å; L2025-S2027 PolarHBondContact O-N 3.29Å
2028L65Low69Low103 Ų10379.4 Ų79.454%0.53942%0.418SS..Hα-helixtrans-81.6-37.9-179.2-68.7167.8000112.2L2024 L2025 W2026 N2030L2024-L2028 HydrophobicContact CD2-CD1 4.21Å; L2024-L2028 WeakPolarHBondContact O-CG 3.31Å; L2024-L2028 PolarHBondContact O-N 2.92Å; L2025-L2028 PolarHBondContact O-N 3.33Å; W2026-L2028 VanDerWaalsContact C-N 3.29Å; W2026-L2028 PolarHBondContact O-N 3.09Å; L2028-N2030 VanDerWaalsContact C-N 3.33Å; L2028-N2030 PolarHBondContact O-N 3.45Å
2029L60Low69Low44 Ų4480.7 Ų80.723%0.2343%0.425CS..Hα-helixtrans-70.3-23.3-175.7-73.8174.4000114.4L2025 Q2031 I2032 L2310 F2314L2025-L2029 HydrophobicContact CD2-CD1 3.93Å; L2025-L2029 HydrophobicContact CG-CD1 3.76Å; L2025-L2029 HydrophobicContact CG-CG 4.27Å; L2025-L2029 WeakPolarHBondContact O-CB 3.44Å; L2025-L2029 VanDerWaalsContact O-CG 3.27Å; L2025-L2029 WeakPolarHBondContact O-CG 3.5Å; L2025-L2029 PolarHBondContact O-N 3.39Å; L2029-Q2031 PolarHBondContact O-N 3.49Å; L2029-Q2031 VanDerWaalsContact O-N 3.12Å; L2029-I2032 HydrophobicContact CD2-CD1 4Å; L2029-L2310 HydrophobicContact CD1-CD2 4.34Å; L2029-L2310 HydrophobicContact CD2-CD2 4.38Å; L2029-F2314 HydrophobicContact CB-CZ 4.42Å
2030N59.4Low69.1Low97 Ų9780.5 Ų80.552%0.51942%0.422SS..THydrogen-bonded Turntrans-67.9-7-179.2-80.3-4.7000114.6L2028L2028-N2030 VanDerWaalsContact C-N 3.33Å; L2028-N2030 PolarHBondContact O-N 3.45Å
2031Q61.8Low69.5Low166 Ų16674.9 Ų74.978%0.77640%0.397SS*.THydrogen-bonded Turntrans-992-173.7-64.5-172.1-31.900115.2L2029L2029-Q2031 PolarHBondContact O-N 3.49Å; L2029-Q2031 VanDerWaalsContact O-N 3.12Å
2032I63.4Low70.3Confident89 Ų8972.5 Ų72.546%0.45638%0.38SS..  trans-108.741.6-159.8-40.4176.7000113.3L2029L2029-I2032 HydrophobicContact CD2-CD1 4Å
2033G63.7Low71.3Confident24 Ų2470.2 Ų70.225%0.24737%0.365CS..  trans-88.3133.5178.400000113.5
2034T66.4Low72.3Confident84 Ų8470.8 Ų70.852%0.51536%0.362SS..BIsolated β-bridgetrans-105.3144.8-177.549.10000113.1R2304 A2305T2034-R2304 CarbonylContact O-C 3.6Å; T2034-R2304 WeakPolarHBondContact O-CA 3.39Å; T2034-A2305 PolarHBondContact N-O 3.47Å; T2034-A2305 PolarHBondContact O-N 2.89Å; T2034-A2305 PolarHBondContact OG1-O 3.41Å
2035I67.8Low73.1Confident54 Ų5465.8 Ų65.828%0.27734%0.336SS..  trans-81.5131.3175.4-52178.6000109.4M2037 E2111 R2304I2035-M2037 HydrophobicContact CG2-CG 4.39Å; I2035-E2111 HydrophobicContact CD1-CB 3.62Å; I2035-R2304 HydrophobicContact CG1-CG 4.24Å
2036S69.6Low74.1Confident28 Ų2861.6 Ų61.620%0.19632%0.315CS..  trans-12194.5172.764.10000109.2R2156S2036-R2156 PolarHBondContact OG-NH1 3.21Å
2037M71.1Confident75Confident96 Ų9655.3 Ų55.347%0.47329%0.291SS..  trans-64.3138.8178.4-67.5-178.9174.500110.6I2035 M2070 P2157I2035-M2037 HydrophobicContact CG2-CG 4.39Å; M2037-M2070 HydrophobicContact CE-CG 4.34Å; M2037-M2070 HydrophobicContact CE-SD 3.67Å; M2037-P2157 WeakPolarHBondContact O-CD 3.44Å; M2037-P2157 WeakPolarHBondContact O-CG 3.49Å
2038P77.1Confident75.7Confident6 Ų655.6 Ų55.64%0.03928%0.284CS..  trans-67.4138175.429.2-35.1000111.4V2041 L2068 L2114 F2154 T2155 I2302P2038-V2041 HydrophobicContact CB-CG2 4.37Å; P2038-V2041 HydrophobicContact CG-CG2 4.31Å; P2038-L2068 HydrophobicContact CG-CD2 4.26Å; P2038-L2068 WeakPolarHBondContact O-CD2 3.47Å; P2038-L2114 HydrophobicContact CG-CD2 3.51Å; P2038-F2154 HydrophobicContact CB-CD1 4.17Å; P2038-F2154 HydrophobicContact CG-CD1 4.04Å; P2038-T2155 CarbonylContact C-O 3.57Å; P2038-T2155 WeakPolarHBondContact CA-O 3.3Å; P2038-T2155 VanDerWaalsContact CB-O 3.27Å; P2038-T2155 WeakPolarHBondContact CB-O 3.26Å; P2038-I2302 HydrophobicContact CG-CD1 4.42Å
2039E76.2Confident76.4Confident111 Ų11154.2 Ų54.252%0.51930%0.295SS..SBendtrans-72.6-43.5-179.2-177.8-178.8159.600110.9G2060 T2155E2039-G2060 PolarHBondContact O-N 3.39Å; E2039-T2155 PolarHBondContact N-O 2.98Å
2040K82.3Confident77.6Confident68 Ų6854 Ų5430%0.29629%0.292SS..EExtended strand (participates in β ladder)trans-148.6153.3173.758.4172.6176.2177.40112.5E2057 A2058 T2155K2040-E2057 HydrophobicContact CB-CG 4.11Å; K2040-E2057 HydrophobicContact CD-CG 3.92Å; K2040-E2057 WeakPolarHBondContact CD-OE1 3.32Å; K2040-E2057 VanDerWaalsContact CD-OE2 3.31Å; K2040-E2057 WeakPolarHBondContact CD-OE2 3.27Å; K2040-E2057 VanDerWaalsContact NZ-CD 3.3Å; K2040-E2057 IonicContact NZ-OE1 2.69Å; K2040-E2057 PolarHBondContact NZ-OE1 3.45Å; K2040-E2057 VanDerWaalsContact NZ-OE1 3.14Å; K2040-E2057 IonicContact NZ-OE2 2.79Å; K2040-E2057 PolarHBondContact NZ-OE2 2.87Å; K2040-A2058 WeakPolarHBondContact CA-O 3.37Å; K2040-T2155 HydrophobicContact CG-CG2 4.22Å; K2040-T2155 WeakPolarHBondContact CG-OG1 3.4Å; K2040-T2155 PolarHBondContact N-OG1 2.74Å; K2040-T2155 PolarHBondContact O-N 2.96Å; K2040-T2155 PolarHBondContact O-OG1 2.82Å
2041V88.7Confident78.8Confident0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-125.3123.5175.1-168.90000108.3P2038 A2058 L2068 V2116 F2118 L2152 E2153 F2154P2038-V2041 HydrophobicContact CB-CG2 4.37Å; P2038-V2041 HydrophobicContact CG-CG2 4.31Å; V2041-A2058 PolarHBondContact N-O 3.04Å; V2041-A2058 PolarHBondContact O-N 3.1Å; V2041-L2068 HydrophobicContact CG2-CD2 4.4Å; V2041-V2116 HydrophobicContact CB-CG1 4Å; V2041-V2116 HydrophobicContact CG1-CG1 4.19Å; V2041-V2116 HydrophobicContact CG2-CG1 4.28Å; V2041-V2116 HydrophobicContact CG2-CG2 4.13Å; V2041-F2118 HydrophobicContact CB-CE1 4.48Å; V2041-F2118 HydrophobicContact CB-CZ 4.45Å; V2041-F2118 HydrophobicContact CG1-CE1 4.29Å; V2041-F2118 HydrophobicContact CG1-CZ 3.88Å; V2041-L2152 HydrophobicContact CG1-CD1 3.79Å; V2041-L2152 HydrophobicContact CG1-CG 4.45Å; V2041-E2153 WeakPolarHBondContact CA-O 3.18Å; V2041-F2154 HydrophobicContact CB-CD1 4.38Å; V2041-F2154 HydrophobicContact CG1-CD1 3.96Å; V2041-F2154 HydrophobicContact CG1-CD2 4.13Å; V2041-F2154 HydrophobicContact CG1-CE1 3.97Å; V2041-F2154 HydrophobicContact CG1-CE2 4.17Å; V2041-F2154 HydrophobicContact CG1-CG 4.05Å; V2041-F2154 HydrophobicContact CG1-CZ 4.08Å; V2041-F2154 HydrophobicContact CG2-CD1 3.48Å; V2041-F2154 VanDerWaalsContact CG2-CD1 3.48Å; V2041-F2154 HydrophobicContact CG2-CE1 3.7Å; V2041-F2154 HydrophobicContact CG2-CG 4.21Å
2042T90.6Very high80Confident11 Ų1145 Ų457%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-110.8129.7-179.252.70000110.6E2057 E2153T2042-E2057 HydrophobicContact CG2-CB 4.08Å; T2042-E2057 HydrophobicContact CG2-CG 3.77Å; T2042-E2153 PolarHBondContact N-O 3.34Å; T2042-E2153 PolarHBondContact O-N 3.46Å; T2042-E2153 WeakPolarHBondContact OG1-CB 3.3Å; T2042-E2153 PolarHBondContact OG1-O 2.9Å
2043L90.9Very high81.1Confident0 Ų040.8 Ų40.80%023%0.231CC..EExtended strand (participates in β ladder)trans-113.2128.7172.8176.363.2000109.4Y2054 M2056 F2118 V2150 L2152 I2204 L2296L2043-Y2054 HydrophobicContact CD2-CE1 4.06Å; L2043-Y2054 HydrophobicContact CG-CE1 4.31Å; L2043-M2056 PolarHBondContact N-O 3.33Å; L2043-M2056 PolarHBondContact O-N 2.95Å; L2043-M2056 VanDerWaalsContact O-N 3.1Å; L2043-F2118 HydrophobicContact CB-CD1 3.83Å; L2043-F2118 HydrophobicContact CB-CD2 4.39Å; L2043-F2118 HydrophobicContact CB-CE1 3.59Å; L2043-F2118 HydrophobicContact CB-CE2 4.18Å; L2043-F2118 HydrophobicContact CB-CG 4.23Å; L2043-F2118 HydrophobicContact CB-CZ 3.78Å; L2043-F2118 HydrophobicContact CD2-CD1 4.49Å; L2043-F2118 HydrophobicContact CD2-CD2 3.81Å; L2043-F2118 HydrophobicContact CD2-CE2 4.05Å; L2043-F2118 HydrophobicContact CD2-CG 4.05Å; L2043-F2118 HydrophobicContact CD2-CZ 4.5Å; L2043-V2150 HydrophobicContact CD1-CG1 3.91Å; L2043-L2152 HydrophobicContact CB-CD1 4.14Å; L2043-L2152 HydrophobicContact CD1-CD1 4.2Å; L2043-I2204 HydrophobicContact CD1-CD1 3.98Å; L2043-I2204 HydrophobicContact CD2-CD1 3.77Å; L2043-L2296 HydrophobicContact CD2-CD2 3.43Å; L2043-L2296 VanDerWaalsContact CD2-CD2 3.43Å; L2043-L2296 HydrophobicContact CD2-CG 4.28Å
2044R90.8Very high82.3Confident93 Ų9339.7 Ų39.735%0.35122%0.22SC..EExtended strand (participates in β ladder)trans-126.2138174-52.7174.6159.8132.83.1110.2Y2054 E2055 V2150 S2151R2044-Y2054 WeakPolarHBondContact CA-O 3.5Å; R2044-E2055 HydrophobicContact CG-CG 4.16Å; R2044-E2055 IonicContact CZ-OE1 2.99Å; R2044-E2055 IonicContact NE-OE1 3.11Å; R2044-E2055 PolarHBondContact NE-OE1 3.24Å; R2044-E2055 IonicContact NH2-OE1 2.68Å; R2044-E2055 PolarHBondContact NH2-OE1 2.9Å; R2044-V2150 WeakPolarHBondContact O-CA 3.31Å; R2044-S2151 WeakPolarHBondContact CB-OG 3.05Å; R2044-S2151 PolarHBondContact N-O 3.46Å; R2044-S2151 PolarHBondContact O-N 3.49Å
2045I89.5Confident83.5Confident0 Ų037.4 Ų37.40%020%0.203CC..EExtended strand (participates in β ladder)trans-123.7116.5173.9-55166.4000106.9P2052 L2053 Y2054 E2149 V2150 L2252 L2254 A2269I2045-P2052 CarbonylContact O-C 3.5Å; I2045-L2053 PolarHBondContact O-N 3.13Å; I2045-Y2054 HydrophobicContact CD1-CD1 3.71Å; I2045-Y2054 HydrophobicContact CD1-CE1 4.4Å; I2045-Y2054 HydrophobicContact CD1-CG 4.21Å; I2045-Y2054 HydrophobicContact CG1-CD1 4.13Å; I2045-Y2054 PolarHBondContact N-O 2.95Å; I2045-Y2054 PolarHBondContact O-N 2.66Å; I2045-E2149 WeakPolarHBondContact CA-O 3.33Å; I2045-V2150 HydrophobicContact CG2-CG2 4.48Å; I2045-L2252 HydrophobicContact CD1-CD1 3.54Å; I2045-L2252 HydrophobicContact CD1-CD2 3.73Å; I2045-L2252 HydrophobicContact CD1-CG 4.3Å; I2045-L2252 HydrophobicContact CG1-CD1 4.3Å; I2045-L2254 HydrophobicContact CD1-CD2 4.26Å; I2045-L2254 HydrophobicContact CG2-CD1 4.17Å; I2045-A2269 HydrophobicContact CD1-CB 4.46Å
2046S87Confident84.5Confident14 Ų1435.1 Ų35.110%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-133.5166.7-17778.40000112.1F2148 E2149S2046-F2148 WeakPolarHBondContact O-CA 3.48Å; S2046-E2149 PolarHBondContact N-O 3.44Å; S2046-E2149 PolarHBondContact O-N 2.86Å
2047I85.8Confident85.3Confident1 Ų135.7 Ų35.71%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-103.2131.8166.8-67.1169.8000106.5G2049 Y2050 L2053 M2136 V2146 F2148I2047-G2049 PolarHBondContact O-N 3.29Å; I2047-Y2050 HydrophobicContact CB-CD2 4.28Å; I2047-Y2050 HydrophobicContact CG2-CD2 3.88Å; I2047-Y2050 HydrophobicContact CG2-CE2 4.4Å; I2047-Y2050 PolarHBondContact O-N 3.22Å; I2047-L2053 HydrophobicContact CD1-CD1 3.98Å; I2047-L2053 HydrophobicContact CG1-CD1 4Å; I2047-M2136 HydrophobicContact CB-CE 4.11Å; I2047-M2136 HydrophobicContact CD1-CE 3.92Å; I2047-M2136 HydrophobicContact CD1-CG 4.49Å; I2047-M2136 HydrophobicContact CD1-SD 3.68Å; I2047-M2136 HydrophobicContact CG2-CE 4.49Å; I2047-V2146 HydrophobicContact CG2-CG1 3.4Å; I2047-F2148 HydrophobicContact CD1-CE1 3.87Å; I2047-F2148 HydrophobicContact CD1-CZ 4.04Å; I2047-F2148 HydrophobicContact CG1-CD1 3.76Å; I2047-F2148 HydrophobicContact CG1-CE1 3.4Å; I2047-F2148 VanDerWaalsContact CG1-CE1 3.4Å; I2047-F2148 HydrophobicContact CG1-CZ 3.95Å
2048E82.3Confident85.9Confident78 Ų7831.2 Ų31.236%0.36417%0.169SC..THydrogen-bonded Turntrans-50.9112-172.2-174-173.3176.800113.1K2139 N2147E2048-K2139 PolarHBondContact O-NZ 2.93Å; E2048-K2139 VanDerWaalsContact O-NZ 3.11Å; E2048-N2147 HydrophobicContact CB-CB 4.33Å; E2048-N2147 WeakPolarHBondContact CB-O 3.41Å; E2048-N2147 PolarHBondContact N-O 3.01Å; E2048-N2147 WeakPolarHBondContact OE2-CB 3.44Å; E2048-N2147 PolarHBondContact OE2-N 3.44Å; E2048-N2147 PolarHBondContact OE2-ND2 3.26Å
2049G79.8Confident85.9Confident75 Ų7535.6 Ų35.677%0.77319%0.189SC*.THydrogen-bonded Turntrans92.612.3-178.500000116I2047I2047-G2049 PolarHBondContact O-N 3.29Å
2050Y86Confident85.2Confident40 Ų4032 Ų3216%0.15718%0.182CC..SBendtrans-129.9161.7178.6-64.3-81.6000112.7I2047 S2132 A2135 M2136 K2139I2047-Y2050 HydrophobicContact CB-CD2 4.28Å; I2047-Y2050 HydrophobicContact CG2-CD2 3.88Å; I2047-Y2050 HydrophobicContact CG2-CE2 4.4Å; I2047-Y2050 PolarHBondContact O-N 3.22Å; Y2050-S2132 WeakPolarHBondContact CE1-O 3.46Å; Y2050-A2135 PolarHBondContact OH-O 2.82Å; Y2050-M2136 HydrophobicContact CD1-CB 4.13Å; Y2050-M2136 HydrophobicContact CD1-CE 3.77Å; Y2050-M2136 HydrophobicContact CD2-CB 4.49Å; Y2050-M2136 HydrophobicContact CD2-CE 3.65Å; Y2050-M2136 HydrophobicContact CD2-CG 4.28Å; Y2050-M2136 HydrophobicContact CE1-CB 3.72Å; Y2050-M2136 HydrophobicContact CE2-CB 4.1Å; Y2050-M2136 HydrophobicContact CE2-CE 4.39Å; Y2050-M2136 HydrophobicContact CE2-CG 4.11Å; Y2050-M2136 HydrophobicContact CG-CE 3.29Å; Y2050-M2136 WeakPolarHBondContact OH-CA 3.37Å; Y2050-M2136 PolarHBondContact OH-N 3.12Å; Y2050-K2139 HydrophobicContact CE2-CD 3.88Å; Y2050-K2139 WeakPolarHBondContact OH-CD 3.49Å
2051P85.1Confident83.9Confident40 Ų4034 Ų3426%0.2621%0.205SC..  trans-55.6146.7174.1-24.234.3000112.4L2053 P2127P2051-L2053 PolarHBondContact O-N 2.8Å; P2051-P2127 HydrophobicContact CB-CG 4.02Å
2052P86Confident82.1Confident34 Ų3439.4 Ų39.422%0.22123%0.233CC..  trans-58137-179.525.2-33.7000110.7I2045 E2055 W2126I2045-P2052 CarbonylContact O-C 3.5Å; P2052-E2055 HydrophobicContact CG-CB 4.45Å; P2052-W2126 VanDerWaalsContact O-CD1 3.27Å
2053L86.3Confident80.1Confident0 Ų048.1 Ų48.10%027%0.273CS..SBendtrans-72.4-43.7173.2-60.2170.3000109.3I2045 I2047 P2051 W2126 F2148 L2254 W2267I2045-L2053 PolarHBondContact O-N 3.13Å; I2047-L2053 HydrophobicContact CD1-CD1 3.98Å; I2047-L2053 HydrophobicContact CG1-CD1 4Å; P2051-L2053 PolarHBondContact O-N 2.8Å; L2053-W2126 HydrophobicContact CD2-CD2 4.44Å; L2053-W2126 HydrophobicContact CD2-CZ2 3.68Å; L2053-F2148 HydrophobicContact CD1-CE1 3.73Å; L2053-L2254 HydrophobicContact CD1-CD1 3.93Å; L2053-W2267 HydrophobicContact CB-CD2 4.36Å; L2053-W2267 HydrophobicContact CB-CG 4.11Å; L2053-W2267 HydrophobicContact CD2-CD2 4.48Å; L2053-W2267 HydrophobicContact CD2-CZ2 3.85Å; L2053-W2267 WeakPolarHBondContact O-CB 3.45Å
2054Y89.5Confident78.1Confident0 Ų055 Ų550%031%0.31CS..EExtended strand (participates in β ladder)trans-132.7129.1-179.9170.6-84.6000109.1L2043 R2044 I2045 M2056 F2118 R2119 A2269 L2296L2043-Y2054 HydrophobicContact CD2-CE1 4.06Å; L2043-Y2054 HydrophobicContact CG-CE1 4.31Å; R2044-Y2054 WeakPolarHBondContact CA-O 3.5Å; I2045-Y2054 HydrophobicContact CD1-CD1 3.71Å; I2045-Y2054 HydrophobicContact CD1-CE1 4.4Å; I2045-Y2054 HydrophobicContact CD1-CG 4.21Å; I2045-Y2054 HydrophobicContact CG1-CD1 4.13Å; I2045-Y2054 PolarHBondContact N-O 2.95Å; I2045-Y2054 PolarHBondContact O-N 2.66Å; Y2054-M2056 HydrophobicContact CE1-CB 3.77Å; Y2054-M2056 HydrophobicContact CE2-CB 4.49Å; Y2054-M2056 WeakPolarHBondContact OH-CB 3.43Å; Y2054-F2118 WeakPolarHBondContact OH-CB 3.48Å; Y2054-R2119 WeakPolarHBondContact CE2-O 3.35Å; Y2054-R2119 PolarHBondContact OH-O 3.02Å; Y2054-A2269 HydrophobicContact CD1-CB 4.37Å; Y2054-A2269 HydrophobicContact CD2-CB 3.6Å; Y2054-A2269 HydrophobicContact CE1-CB 4.42Å; Y2054-A2269 HydrophobicContact CE2-CB 3.66Å; Y2054-A2269 HydrophobicContact CG-CB 3.97Å; Y2054-L2296 HydrophobicContact CE1-CD2 4.37Å
2055E90.2Very high76.4Confident36 Ų3654.1 Ų54.117%0.16831%0.312CS..EExtended strand (participates in β ladder)trans-135132.8173.8-179.7158.6-158.300108.6R2044 P2052 S2122 E2123 I2124R2044-E2055 HydrophobicContact CG-CG 4.16Å; R2044-E2055 IonicContact CZ-OE1 2.99Å; R2044-E2055 IonicContact NE-OE1 3.11Å; R2044-E2055 PolarHBondContact NE-OE1 3.24Å; R2044-E2055 IonicContact NH2-OE1 2.68Å; R2044-E2055 PolarHBondContact NH2-OE1 2.9Å; P2052-E2055 HydrophobicContact CG-CB 4.45Å; E2055-S2122 PolarHBondContact N-OG 3.29Å; E2055-S2122 PolarHBondContact O-OG 2.9Å; E2055-E2123 WeakPolarHBondContact O-CB 3.5Å; E2055-E2123 PolarHBondContact O-N 3.4Å; E2055-I2124 HydrophobicContact CB-CD1 4.48Å; E2055-I2124 HydrophobicContact CG-CD1 4.19Å
2056M89.2Confident75Confident6 Ų656.6 Ų56.63%0.0333%0.333CS..EExtended strand (participates in β ladder)trans-148.8127.6-178-179.15848.200110.5L2043 Y2054 F2118 R2119 E2121 E2123L2043-M2056 PolarHBondContact N-O 3.33Å; L2043-M2056 PolarHBondContact O-N 2.95Å; L2043-M2056 VanDerWaalsContact O-N 3.1Å; Y2054-M2056 HydrophobicContact CE1-CB 3.77Å; Y2054-M2056 HydrophobicContact CE2-CB 4.49Å; Y2054-M2056 WeakPolarHBondContact OH-CB 3.43Å; M2056-F2118 HydrophobicContact CB-CB 4.41Å; M2056-F2118 HydrophobicContact CB-CD1 4.28Å; M2056-F2118 HydrophobicContact CG-CB 3.81Å; M2056-F2118 HydrophobicContact CG-CD1 3.93Å; M2056-F2118 HydrophobicContact CG-CG 4.38Å; M2056-R2119 HydrophobicContact CE-CB 3.76Å; M2056-R2119 HydrophobicContact CE-CG 4.37Å; M2056-R2119 HydrophobicContact SD-CB 3.91Å; M2056-R2119 HydrophobicContact SD-CG 3.98Å; M2056-E2121 WeakPolarHBondContact CE-O 3.37Å; M2056-E2123 HydrophobicContact CE-CB 3.77Å; M2056-E2123 HydrophobicContact SD-CB 4.42Å
2057E87.6Confident74.3Confident41 Ų4156.9 Ų56.919%0.19233%0.332CS..EExtended strand (participates in β ladder)trans-102.3120.1170.9-170.7168.412400110.4K2040 T2042 Q2059 E2123K2040-E2057 HydrophobicContact CB-CG 4.11Å; K2040-E2057 HydrophobicContact CD-CG 3.92Å; K2040-E2057 WeakPolarHBondContact CD-OE1 3.32Å; K2040-E2057 VanDerWaalsContact CD-OE2 3.31Å; K2040-E2057 WeakPolarHBondContact CD-OE2 3.27Å; K2040-E2057 VanDerWaalsContact NZ-CD 3.3Å; K2040-E2057 IonicContact NZ-OE1 2.69Å; K2040-E2057 PolarHBondContact NZ-OE1 3.45Å; K2040-E2057 VanDerWaalsContact NZ-OE1 3.14Å; K2040-E2057 IonicContact NZ-OE2 2.79Å; K2040-E2057 PolarHBondContact NZ-OE2 2.87Å; T2042-E2057 HydrophobicContact CG2-CB 4.08Å; T2042-E2057 HydrophobicContact CG2-CG 3.77Å; E2057-Q2059 HydrophobicContact CG-CG 3.97Å; E2057-Q2059 PolarHBondContact OE1-NE2 3.28Å; E2057-E2123 PolarHBondContact N-OE2 3.16Å
2058A83.9Confident73.9Confident1 Ų158.1 Ų58.11%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-93.4122.6170.500000109K2040 V2041 E2067 L2068 V2116 F2118K2040-A2058 WeakPolarHBondContact CA-O 3.37Å; V2041-A2058 PolarHBondContact N-O 3.04Å; V2041-A2058 PolarHBondContact O-N 3.1Å; A2058-E2067 HydrophobicContact CB-CB 4.39Å; A2058-L2068 VanDerWaalsContact C-CD1 3.45Å; A2058-L2068 HydrophobicContact CB-CD1 3.64Å; A2058-L2068 WeakPolarHBondContact O-CD1 3.49Å; A2058-V2116 HydrophobicContact CB-CG1 3.92Å; A2058-F2118 HydrophobicContact CB-CD1 4.1Å; A2058-F2118 HydrophobicContact CB-CE1 4.06Å
2059Q76.1Confident73.5Confident99 Ų9955.3 Ų55.346%0.46333%0.331SS..EExtended strand (participates in β ladder)trans-115.6136.5-172.9-65.3-176.2-11.700112.7E2057E2057-Q2059 HydrophobicContact CG-CG 3.97Å; E2057-Q2059 PolarHBondContact OE1-NE2 3.28Å
2060G60.9Low73.5Confident36 Ų3656.6 Ų56.637%0.37132%0.318SS..  trans-131.374.2-174.600000114.3E2039E2039-G2060 PolarHBondContact O-N 3.39Å
2061S55.2Low73.4Confident110 Ų11054.9 Ų54.977%0.76931%0.312SS*.  trans-116.7-16.4177.8-173.70000115.3
2062N51.6Low73.2Confident113 Ų11359.4 Ų59.460%0.60433%0.327SS*.SBendtrans-127.8146.5-175-74.7-20.6000111.6D2064 N2065N2062-D2064 PolarHBondContact O-N 3.29Å; N2062-N2065 PolarHBondContact O-N 3.1Å
2063H48Very low73.1Confident194 Ų19461.6 Ų61.690%0.89834%0.342SS*.THydrogen-bonded Turntrans-62-12.2-173.2-163.9-74000114.5
2064D49Very low72.8Confident144 Ų14467.5 Ų67.577%0.7737%0.373SS*.THydrogen-bonded Turntrans-104.7-4.6-174.2-56.8-38.4000113.9N2062 A2066N2062-D2064 PolarHBondContact O-N 3.29Å; D2064-A2066 PolarHBondContact O-N 3.1Å
2065N54.8Low72.4Confident74 Ų7469.6 Ų69.640%0.39638%0.383SS..  trans-89.8109.8-171.2-68.58.8000112N2062 E2067N2062-N2065 PolarHBondContact O-N 3.1Å; N2065-E2067 PolarHBondContact O-N 3.34Å
2066A61.5Low72.1Confident53 Ų5369.3 Ų69.344%0.43838%0.382SS..THydrogen-bonded Turntrans-71.24.6-173.800000116.5D2064 R2117D2064-A2066 PolarHBondContact O-N 3.1Å; A2066-R2117 PolarHBondContact O-NH1 3.27Å
2067E71.9Confident71.8Confident19 Ų1971.8 Ų71.89%0.08940%0.403CS..THydrogen-bonded Turntrans-85.9-38.8-171.4-64.8179.5172.800113.6A2058 N2065 R2117 R2119A2058-E2067 HydrophobicContact CB-CB 4.39Å; N2065-E2067 PolarHBondContact O-N 3.34Å; E2067-R2117 PolarHBondContact O-N 3.47Å; E2067-R2119 IonicContact OE1-CZ 2.62Å; E2067-R2119 IonicContact OE1-NE 3.11Å; E2067-R2119 PolarHBondContact OE1-NE 3.48Å; E2067-R2119 IonicContact OE1-NH2 2.73Å; E2067-R2119 PolarHBondContact OE1-NH2 2.83Å
2068L77.4Confident71.5Confident27 Ų2772.5 Ų72.514%0.14141%0.413CS..EExtended strand (participates in β ladder)trans-113.1103.6168.7-89.778.7000108.7P2038 V2041 A2058 L2114P2038-L2068 HydrophobicContact CG-CD2 4.26Å; P2038-L2068 WeakPolarHBondContact O-CD2 3.47Å; V2041-L2068 HydrophobicContact CG2-CD2 4.4Å; A2058-L2068 VanDerWaalsContact C-CD1 3.45Å; A2058-L2068 HydrophobicContact CB-CD1 3.64Å; A2058-L2068 WeakPolarHBondContact O-CD1 3.49Å; L2068-L2114 HydrophobicContact CB-CD1 4.23Å; L2068-L2114 HydrophobicContact CD2-CD2 3.98Å; L2068-L2114 HydrophobicContact CG-CD1 4.45Å; L2068-L2114 HydrophobicContact CG-CD2 4.25Å
2069G74.7Confident71.4Confident20 Ų2072.6 Ų72.621%0.20641%0.414CS..EExtended strand (participates in β ladder)trans-121.1136.8179.900000112.6I2115G2069-I2115 PolarHBondContact N-O 3.36Å; G2069-I2115 WeakPolarHBondContact O-CA 3.35Å; G2069-I2115 WeakPolarHBondContact O-CB 3.47Å; G2069-I2115 PolarHBondContact O-N 3.09Å
2070M79.8Confident71.9Confident102 Ų10270.4 Ų70.450%0.50241%0.405SS..EExtended strand (participates in β ladder)trans-66.3150.5170.2-67.4174.3-8100111.2M2037 K2072M2037-M2070 HydrophobicContact CE-CG 4.34Å; M2037-M2070 HydrophobicContact CE-SD 3.67Å; M2070-K2072 PolarHBondContact O-N 3.45Å
2071I82.4Confident72.9Confident3 Ų373.8 Ų73.82%0.01541%0.411CS..PPolyproline II helixtrans-65.6133.6174.4-164.1167.1000110.5Q2075 L2076 I2113 I2115 I2283I2071-Q2075 HydrophobicContact CD1-CB 4.29Å; I2071-Q2075 HydrophobicContact CG1-CB 3.77Å; I2071-L2076 HydrophobicContact CD1-CB 4.11Å; I2071-L2076 HydrophobicContact CD1-CD1 4.43Å; I2071-L2076 HydrophobicContact CG1-CB 4.35Å; I2071-L2076 HydrophobicContact CG2-CB 4.27Å; I2071-I2113 HydrophobicContact CB-CB 4.31Å; I2071-I2113 HydrophobicContact CB-CG2 3.95Å; I2071-I2113 HydrophobicContact CD1-CG2 4.14Å; I2071-I2113 HydrophobicContact CG2-CB 3.64Å; I2071-I2113 HydrophobicContact CG2-CD1 4.36Å; I2071-I2113 HydrophobicContact CG2-CG2 3.78Å; I2071-I2113 PolarHBondContact N-O 2.77Å; I2071-I2115 HydrophobicContact CB-CD1 4.34Å; I2071-I2115 HydrophobicContact CB-CG1 4.48Å; I2071-I2115 HydrophobicContact CG1-CD1 4.29Å; I2071-I2283 HydrophobicContact CD1-CD1 3.81Å
2072K81.8Confident74Confident135 Ų13569.2 Ų69.259%0.58738%0.38SS*.PPolyproline II helixtrans-70.8147.3173.8-67.2-173.5176.2-173.50110.5M2070 D2074 Q2075 L2076M2070-K2072 PolarHBondContact O-N 3.45Å; K2072-D2074 PolarHBondContact O-N 2.89Å; K2072-Q2075 HydrophobicContact CB-CB 4.36Å; K2072-Q2075 HydrophobicContact CB-CG 4.14Å; K2072-Q2075 WeakPolarHBondContact O-CB 3.39Å; K2072-Q2075 PolarHBondContact O-N 3.33Å; K2072-L2076 PolarHBondContact O-N 2.94Å
2073P83.9Confident75.4Confident81 Ų8163.9 Ų63.953%0.52635%0.351SS..Hα-helixtrans-56.1-37.4177.822.2-33.4000112.4Q2075 L2076 A2077P2073-Q2075 PolarHBondContact O-N 3.46Å; P2073-L2076 PolarHBondContact O-N 3.44Å; P2073-A2077 WeakPolarHBondContact O-CB 3.34Å; P2073-A2077 PolarHBondContact O-N 2.93Å
2074D80.8Confident77Confident123 Ų12357.5 Ų57.566%0.65833%0.326SS*.Hα-helixtrans-65-38176.4-47.4-34.5000112.5K2072 A2077 S2078K2072-D2074 PolarHBondContact O-N 2.89Å; D2074-A2077 PolarHBondContact O-N 3.44Å; D2074-S2078 WeakPolarHBondContact O-CB 3.37Å; D2074-S2078 PolarHBondContact O-N 3.14Å
2075Q80.1Confident78.2Confident45 Ų4555.3 Ų55.321%0.2132%0.315CS..Hα-helixtrans-69.7-43.7177-69.7176.9-48.300110.4I2071 K2072 P2073 A2077 S2078 L2079I2071-Q2075 HydrophobicContact CD1-CB 4.29Å; I2071-Q2075 HydrophobicContact CG1-CB 3.77Å; K2072-Q2075 HydrophobicContact CB-CB 4.36Å; K2072-Q2075 HydrophobicContact CB-CG 4.14Å; K2072-Q2075 WeakPolarHBondContact O-CB 3.39Å; K2072-Q2075 PolarHBondContact O-N 3.33Å; P2073-Q2075 PolarHBondContact O-N 3.46Å; Q2075-A2077 VanDerWaalsContact C-N 3.33Å; Q2075-A2077 PolarHBondContact O-N 3.18Å; Q2075-S2078 PolarHBondContact O-N 2.93Å; Q2075-S2078 PolarHBondContact O-OG 2.97Å; Q2075-L2079 PolarHBondContact O-N 3.39Å
2076L83.8Confident78.8Confident30 Ų3052.6 Ų52.616%0.15730%0.302CS..Hα-helixtrans-62.1-40.1174-178.759.8000111.7I2071 K2072 P2073 L2079 N2080 L2105 I2113I2071-L2076 HydrophobicContact CD1-CB 4.11Å; I2071-L2076 HydrophobicContact CD1-CD1 4.43Å; I2071-L2076 HydrophobicContact CG1-CB 4.35Å; I2071-L2076 HydrophobicContact CG2-CB 4.27Å; K2072-L2076 PolarHBondContact O-N 2.94Å; P2073-L2076 PolarHBondContact O-N 3.44Å; L2076-L2079 PolarHBondContact O-N 2.86Å; L2076-N2080 VanDerWaalsContact O-CB 3.23Å; L2076-N2080 WeakPolarHBondContact O-CB 3.38Å; L2076-N2080 PolarHBondContact O-N 3Å; L2076-L2105 HydrophobicContact CD1-CD1 3.7Å; L2076-L2105 HydrophobicContact CD1-CD2 4.09Å; L2076-L2105 HydrophobicContact CD1-CG 3.98Å; L2076-I2113 HydrophobicContact CD1-CD1 3.74Å; L2076-I2113 HydrophobicContact CD2-CD1 4.49Å
2077A82.8Confident79.4Confident57 Ų5755 Ų5547%0.47130%0.3SS..Hα-helixtrans-62.1-43173.600000111.7P2073 D2074 Q2075 N2080 Q2081P2073-A2077 WeakPolarHBondContact O-CB 3.34Å; P2073-A2077 PolarHBondContact O-N 2.93Å; D2074-A2077 PolarHBondContact O-N 3.44Å; Q2075-A2077 VanDerWaalsContact C-N 3.33Å; Q2075-A2077 PolarHBondContact O-N 3.18Å; A2077-N2080 PolarHBondContact O-N 3.33Å; A2077-Q2081 WeakPolarHBondContact O-CB 3.44Å; A2077-Q2081 PolarHBondContact O-N 3.26Å
2078S81Confident79.2Confident57 Ų5757.2 Ų57.240%0.39932%0.315SS..Hα-helixtrans-65.6-39176.976.70000113.1D2074 Q2075 Q2081 A2082D2074-S2078 WeakPolarHBondContact O-CB 3.37Å; D2074-S2078 PolarHBondContact O-N 3.14Å; Q2075-S2078 PolarHBondContact O-N 2.93Å; Q2075-S2078 PolarHBondContact O-OG 2.97Å; S2078-Q2081 PolarHBondContact O-N 3.07Å; S2078-A2082 WeakPolarHBondContact O-CB 3.44Å; S2078-A2082 PolarHBondContact O-N 3.47Å
2079L82.4Confident78.7Confident3 Ų361.3 Ų61.32%0.01634%0.341CS..Hα-helixtrans-68.3-43.7175.8179.163.9000111.3Q2075 L2076 Q2081 A2082 L2083 L2105 F2207Q2075-L2079 PolarHBondContact O-N 3.39Å; L2076-L2079 PolarHBondContact O-N 2.86Å; L2079-Q2081 VanDerWaalsContact C-N 3.33Å; L2079-Q2081 PolarHBondContact O-N 3.33Å; L2079-A2082 PolarHBondContact O-N 3.25Å; L2079-L2083 HydrophobicContact CD1-CD1 4.25Å; L2079-L2083 HydrophobicContact CD1-CG 4.49Å; L2079-L2083 HydrophobicContact CG-CD1 4.24Å; L2079-L2083 WeakPolarHBondContact O-CG 3.38Å; L2079-L2083 PolarHBondContact O-N 2.73Å; L2079-L2105 HydrophobicContact CD2-CD1 4.12Å; L2079-L2105 HydrophobicContact CG-CD2 4.46Å; L2079-F2207 HydrophobicContact CD1-CE1 4.43Å; L2079-F2207 HydrophobicContact CD1-CZ 4.15Å; L2079-F2207 HydrophobicContact CD2-CE1 4.37Å
2080N85.7Confident78.4Confident53 Ų5371.7 Ų71.728%0.28337%0.374SS..Hα-helixtrans-62.5-40.8175.2-174.331.6000111.4L2076 A2077 T2084 L2105L2076-N2080 VanDerWaalsContact O-CB 3.23Å; L2076-N2080 WeakPolarHBondContact O-CB 3.38Å; L2076-N2080 PolarHBondContact O-N 3Å; A2077-N2080 PolarHBondContact O-N 3.33Å; N2080-T2084 VanDerWaalsContact O-CB 3.25Å; N2080-T2084 WeakPolarHBondContact O-CB 3.33Å; N2080-T2084 PolarHBondContact O-N 3.23Å; N2080-T2084 PolarHBondContact O-OG1 2.89Å; N2080-L2105 HydrophobicContact CB-CD2 3.58Å
2081Q83.3Confident77.9Confident106 Ų10668.9 Ų68.950%0.49536%0.361SS..Hα-helixtrans-63.3-47.7173.1-177173.96.900111A2077 S2078 L2079 L2083 T2084 D2085A2077-Q2081 WeakPolarHBondContact O-CB 3.44Å; A2077-Q2081 PolarHBondContact O-N 3.26Å; S2078-Q2081 PolarHBondContact O-N 3.07Å; L2079-Q2081 VanDerWaalsContact C-N 3.33Å; L2079-Q2081 PolarHBondContact O-N 3.33Å; Q2081-L2083 VanDerWaalsContact C-N 3.35Å; Q2081-L2083 PolarHBondContact O-N 3.39Å; Q2081-T2084 CarbonylContact O-C 3.56Å; Q2081-T2084 WeakPolarHBondContact O-CB 3.36Å; Q2081-T2084 PolarHBondContact O-N 2.92Å; Q2081-T2084 VanDerWaalsContact O-N 3.09Å; Q2081-D2085 WeakPolarHBondContact O-CB 3.47Å; Q2081-D2085 VanDerWaalsContact O-CG 3.32Å; Q2081-D2085 PolarHBondContact O-N 3.09Å
2082A77.9Confident77.6Confident14 Ų1473.9 Ų73.912%0.11639%0.392CS..Hα-helixtrans-58.3-43.6178.300000112.6S2078 L2079 T2084 D2085 S2086 K2280 L2281S2078-A2082 WeakPolarHBondContact O-CB 3.44Å; S2078-A2082 PolarHBondContact O-N 3.47Å; L2079-A2082 PolarHBondContact O-N 3.25Å; A2082-T2084 VanDerWaalsContact C-N 3.34Å; A2082-D2085 PolarHBondContact O-N 3.48Å; A2082-S2086 VanDerWaalsContact O-CB 3.3Å; A2082-S2086 WeakPolarHBondContact O-CB 3.03Å; A2082-S2086 PolarHBondContact O-N 2.64Å; A2082-S2086 PolarHBondContact O-OG 3.26Å; A2082-K2280 HydrophobicContact CB-CB 4.42Å; A2082-L2281 HydrophobicContact CB-CD1 4.23Å
2083L80.3Confident77.1Confident1 Ų171.9 Ų71.91%0.00539%0.388CS..Hα-helixtrans-73.3-23.5176.4-68.9171.3000113.8L2079 Q2081 S2086 S2098 V2102 L2105 I2222 L2281L2079-L2083 HydrophobicContact CD1-CD1 4.25Å; L2079-L2083 HydrophobicContact CD1-CG 4.49Å; L2079-L2083 HydrophobicContact CG-CD1 4.24Å; L2079-L2083 WeakPolarHBondContact O-CG 3.38Å; L2079-L2083 PolarHBondContact O-N 2.73Å; Q2081-L2083 VanDerWaalsContact C-N 3.35Å; Q2081-L2083 PolarHBondContact O-N 3.39Å; L2083-S2086 WeakPolarHBondContact CA-OG 3.47Å; L2083-S2086 PolarHBondContact O-OG 3.34Å; L2083-S2098 PolarHBondContact O-OG 3.15Å; L2083-V2102 HydrophobicContact CB-CG2 4.22Å; L2083-L2105 HydrophobicContact CD1-CD2 4.32Å; L2083-I2222 HydrophobicContact CD2-CG2 4.46Å; L2083-L2281 HydrophobicContact CD2-CD1 3.97Å
2084T81.4Confident76.6Confident60 Ų6068 Ų6837%0.36836%0.363SS..Hα-helixtrans-77.6-31.7171.8-60.30000111.5N2080 Q2081 A2082 Y2087 V2102N2080-T2084 VanDerWaalsContact O-CB 3.25Å; N2080-T2084 WeakPolarHBondContact O-CB 3.33Å; N2080-T2084 PolarHBondContact O-N 3.23Å; N2080-T2084 PolarHBondContact O-OG1 2.89Å; Q2081-T2084 CarbonylContact O-C 3.56Å; Q2081-T2084 WeakPolarHBondContact O-CB 3.36Å; Q2081-T2084 PolarHBondContact O-N 2.92Å; Q2081-T2084 VanDerWaalsContact O-N 3.09Å; A2082-T2084 VanDerWaalsContact C-N 3.34Å; T2084-Y2087 WeakPolarHBondContact O-CD1 3.26Å; T2084-Y2087 WeakPolarHBondContact O-CE1 3.32Å; T2084-V2102 WeakPolarHBondContact OG1-CG2 3.27Å
2085D75.7Confident76.5Confident99 Ų9964.6 Ų64.653%0.52934%0.344SS..Hα-helixtrans-84.7-20.1177.6-68.3-20.1000112.2Q2081 A2082 Y2087Q2081-D2085 WeakPolarHBondContact O-CB 3.47Å; Q2081-D2085 VanDerWaalsContact O-CG 3.32Å; Q2081-D2085 PolarHBondContact O-N 3.09Å; A2082-D2085 PolarHBondContact O-N 3.48Å; D2085-Y2087 VanDerWaalsContact C-N 3.29Å; D2085-Y2087 PolarHBondContact O-N 2.91Å
2086S66.1Low76.5Confident17 Ų1767.2 Ų67.212%0.11936%0.359CS..  trans-80.760-179.573.60000113.6A2082 L2083A2082-S2086 VanDerWaalsContact O-CB 3.3Å; A2082-S2086 WeakPolarHBondContact O-CB 3.03Å; A2082-S2086 PolarHBondContact O-N 2.64Å; A2082-S2086 PolarHBondContact O-OG 3.26Å; L2083-S2086 WeakPolarHBondContact CA-OG 3.47Å; L2083-S2086 PolarHBondContact O-OG 3.34Å
2087Y73.4Confident76.3Confident103 Ų10367.7 Ų67.740%0.40436%0.358SS..  trans-137.3148.6168.271.6-83.7000112.3T2084 D2085 T2089 I2095T2084-Y2087 WeakPolarHBondContact O-CD1 3.26Å; T2084-Y2087 WeakPolarHBondContact O-CE1 3.32Å; D2085-Y2087 VanDerWaalsContact C-N 3.29Å; D2085-Y2087 PolarHBondContact O-N 2.91Å; Y2087-T2089 HydrophobicContact CD2-CG2 4.49Å; Y2087-T2089 HydrophobicContact CE2-CG2 3.82Å; Y2087-I2095 HydrophobicContact CD2-CD1 4.45Å; Y2087-I2095 HydrophobicContact CD2-CG1 3.64Å; Y2087-I2095 HydrophobicContact CE2-CG1 4.3Å; Y2087-I2095 HydrophobicContact CG-CG1 4.32Å
2088T69.1Low76.3Confident66 Ų6665.4 Ų65.441%0.40534%0.339SS..  trans-89.5112.8175.9-58.50000109.6R2090 D2091 S2094 D2229T2088-R2090 PolarHBondContact O-N 2.95Å; T2088-D2091 HydrophobicContact CG2-CB 4.38Å; T2088-D2091 PolarHBondContact O-N 3.43Å; T2088-S2094 WeakPolarHBondContact CA-OG 3.2Å; T2088-S2094 WeakPolarHBondContact CB-OG 3.32Å; T2088-S2094 PolarHBondContact N-OG 3.37Å; T2088-S2094 PolarHBondContact O-OG 3.39Å; T2088-D2229 PolarHBondContact OG1-OD1 3.37Å
2089T66.3Low76.4Confident112 Ų11271.2 Ų71.269%0.68735%0.352SS*.THydrogen-bonded Turntrans-55.1-12.8-176.554.60000116Y2087Y2087-T2089 HydrophobicContact CD2-CG2 4.49Å; Y2087-T2089 HydrophobicContact CE2-CG2 3.82Å
2090R68.5Low76.4Confident238 Ų23875.1 Ų75.190%0.89837%0.371SS*.THydrogen-bonded Turntrans-100.9-19.7175.3-74.6-176.5171.8174.5-2.3115.8T2088T2088-R2090 PolarHBondContact O-N 2.95Å
2091D69.2Low76.3Confident43 Ų4372.6 Ų72.623%0.2336%0.358CS..  trans-101.4113.1-177179.516000110T2088 N2093 S2094 I2095 R2097T2088-D2091 HydrophobicContact CG2-CB 4.38Å; T2088-D2091 PolarHBondContact O-N 3.43Å; D2091-N2093 PolarHBondContact O-N 2.77Å; D2091-N2093 VanDerWaalsContact OD1-CB 3.29Å; D2091-N2093 WeakPolarHBondContact OD1-CB 3.31Å; D2091-N2093 PolarHBondContact OD1-N 2.89Å; D2091-N2093 PolarHBondContact OD1-ND2 3.4Å; D2091-S2094 WeakPolarHBondContact O-CB 3.12Å; D2091-S2094 PolarHBondContact O-N 3.03Å; D2091-S2094 PolarHBondContact O-OG 3.08Å; D2091-S2094 PolarHBondContact OD2-N 2.68Å; D2091-I2095 PolarHBondContact O-N 3.31Å; D2091-R2097 IonicContact OD2-CZ 2.82Å; D2091-R2097 IonicContact OD2-NH1 2.72Å; D2091-R2097 IonicContact OD2-NH2 3.58Å; D2091-R2097 PolarHBondContact OD2-NH2 3.5Å
2092T76Confident76.4Confident108 Ų10868.5 Ų68.566%0.66334%0.34SS*.Hα-helixtrans-61.8-29.5176.147.40000112.1L2096T2092-L2096 WeakPolarHBondContact O-CB 3.3Å; T2092-L2096 PolarHBondContact O-N 3.36Å; T2092-L2096 VanDerWaalsContact O-N 3.09Å
2093N72.2Confident76.8Confident94 Ų9471.7 Ų71.750%0.50336%0.361SS..Hα-helixtrans-69.1-36.3175.1-52.7-66.3000110.7D2091 L2096 R2097D2091-N2093 PolarHBondContact O-N 2.77Å; D2091-N2093 VanDerWaalsContact OD1-CB 3.29Å; D2091-N2093 WeakPolarHBondContact OD1-CB 3.31Å; D2091-N2093 PolarHBondContact OD1-N 2.89Å; D2091-N2093 PolarHBondContact OD1-ND2 3.4Å; N2093-L2096 CarbonylContact O-C 3.6Å; N2093-L2096 PolarHBondContact O-N 3.26Å; N2093-R2097 WeakPolarHBondContact O-CB 3.49Å; N2093-R2097 VanDerWaalsContact O-CG 3.3Å; N2093-R2097 WeakPolarHBondContact O-CG 3.37Å; N2093-R2097 PolarHBondContact O-N 2.91Å
2094S72.5Confident77.1Confident0 Ų073.9 Ų73.90%037%0.37CS..Hα-helixtrans-63.9-43.2175.175.70000113.8T2088 D2091 L2096 R2097 S2098 D2229T2088-S2094 WeakPolarHBondContact CA-OG 3.2Å; T2088-S2094 WeakPolarHBondContact CB-OG 3.32Å; T2088-S2094 PolarHBondContact N-OG 3.37Å; T2088-S2094 PolarHBondContact O-OG 3.39Å; D2091-S2094 WeakPolarHBondContact O-CB 3.12Å; D2091-S2094 PolarHBondContact O-N 3.03Å; D2091-S2094 PolarHBondContact O-OG 3.08Å; D2091-S2094 PolarHBondContact OD2-N 2.68Å; S2094-L2096 PolarHBondContact O-N 2.92Å; S2094-R2097 PolarHBondContact O-N 3.12Å; S2094-S2098 WeakPolarHBondContact O-CB 3.37Å; S2094-S2098 PolarHBondContact O-N 3.32Å; S2094-D2229 WeakPolarHBondContact CA-OD2 3.27Å; S2094-D2229 WeakPolarHBondContact CB-OD1 3.29Å; S2094-D2229 WeakPolarHBondContact CB-OD2 3.41Å
2095I78.5Confident77.3Confident51 Ų5171.3 Ų71.326%0.26235%0.354SS..Hα-helixtrans-63.3-37.3176-64168.2000109.3Y2087 D2091 R2099Y2087-I2095 HydrophobicContact CD2-CD1 4.45Å; Y2087-I2095 HydrophobicContact CD2-CG1 3.64Å; Y2087-I2095 HydrophobicContact CE2-CG1 4.3Å; Y2087-I2095 HydrophobicContact CG-CG1 4.32Å; D2091-I2095 PolarHBondContact O-N 3.31Å; I2095-R2099 VanDerWaalsContact O-CB 3.24Å; I2095-R2099 WeakPolarHBondContact O-CB 3.3Å; I2095-R2099 WeakPolarHBondContact O-CD 3.21Å; I2095-R2099 WeakPolarHBondContact O-CG 3.44Å; I2095-R2099 PolarHBondContact O-N 3.18Å
2096L80.8Confident77.7Confident100 Ų10074.1 Ų74.152%0.52436%0.361SS..Hα-helixtrans-70.6-41.4175.9-166.9138.2000111.8T2092 N2093 S2094 R2099 M2100T2092-L2096 WeakPolarHBondContact O-CB 3.3Å; T2092-L2096 PolarHBondContact O-N 3.36Å; T2092-L2096 VanDerWaalsContact O-N 3.09Å; N2093-L2096 CarbonylContact O-C 3.6Å; N2093-L2096 PolarHBondContact O-N 3.26Å; S2094-L2096 PolarHBondContact O-N 2.92Å; L2096-R2099 PolarHBondContact O-N 2.8Å; L2096-M2100 HydrophobicContact CD2-CE 3.76Å; L2096-M2100 HydrophobicContact CD2-CG 4.28Å; L2096-M2100 HydrophobicContact CD2-SD 3.77Å; L2096-M2100 WeakPolarHBondContact O-CB 3.34Å; L2096-M2100 VanDerWaalsContact O-CG 3.25Å; L2096-M2100 WeakPolarHBondContact O-CG 3.33Å; L2096-M2100 PolarHBondContact O-N 3.09Å
2097R80Confident78.4Confident40 Ų4076.3 Ų76.315%0.15139%0.387CS..Hα-helixtrans-60.6-50.6173.5-74.4-175.1-62.3-112.6-3.4111.7D2091 N2093 S2094 M2100 S2101 N2224 T2225 N2228 D2229D2091-R2097 IonicContact OD2-CZ 2.82Å; D2091-R2097 IonicContact OD2-NH1 2.72Å; D2091-R2097 IonicContact OD2-NH2 3.58Å; D2091-R2097 PolarHBondContact OD2-NH2 3.5Å; N2093-R2097 WeakPolarHBondContact O-CB 3.49Å; N2093-R2097 VanDerWaalsContact O-CG 3.3Å; N2093-R2097 WeakPolarHBondContact O-CG 3.37Å; N2093-R2097 PolarHBondContact O-N 2.91Å; S2094-R2097 PolarHBondContact O-N 3.12Å; R2097-M2100 HydrophobicContact CG-CE 4.38Å; R2097-M2100 PolarHBondContact O-N 3.48Å; R2097-S2101 PolarHBondContact O-N 3.42Å; R2097-S2101 PolarHBondContact O-OG 3.46Å; R2097-N2224 WeakPolarHBondContact CD-O 3.35Å; R2097-T2225 HydrophobicContact CB-CG2 3.71Å; R2097-T2225 VanDerWaalsContact O-CG2 3.32Å; R2097-T2225 WeakPolarHBondContact O-CG2 3.34Å; R2097-N2228 VanDerWaalsContact CZ-CB 3.48Å; R2097-D2229 IonicContact CZ-OD2 2.66Å; R2097-D2229 IonicContact NE-OD2 3.98Å; R2097-D2229 PolarHBondContact NE-OD2 2.99Å; R2097-D2229 IonicContact NH2-OD1 3.84Å; R2097-D2229 PolarHBondContact NH2-OD1 3.43Å; R2097-D2229 IonicContact NH2-OD2 3.23Å; R2097-D2229 PolarHBondContact NH2-OD2 2.99Å
2098S81.4Confident78.9Confident8 Ų873 Ų736%0.05637%0.373CS..Hα-helixtrans-59.1-47.3174.71670000111.5L2083 S2094 M2100 S2101 V2102L2083-S2098 PolarHBondContact O-OG 3.15Å; S2094-S2098 WeakPolarHBondContact O-CB 3.37Å; S2094-S2098 PolarHBondContact O-N 3.32Å; S2098-M2100 PolarHBondContact O-N 3.47Å; S2098-S2101 PolarHBondContact O-N 3.32Å; S2098-S2101 VanDerWaalsContact O-N 3.11Å; S2098-V2102 WeakPolarHBondContact O-CG2 3.14Å; S2098-V2102 PolarHBondContact O-N 3.17Å
2099R84.4Confident79.4Confident179 Ų17972.4 Ų72.468%0.67537%0.37SS*.Hα-helixtrans-61.7-38.6175.4-76.3173.6179-171.50.4113.4I2095 L2096 S2101 S2103I2095-R2099 VanDerWaalsContact O-CB 3.24Å; I2095-R2099 WeakPolarHBondContact O-CB 3.3Å; I2095-R2099 WeakPolarHBondContact O-CD 3.21Å; I2095-R2099 WeakPolarHBondContact O-CG 3.44Å; I2095-R2099 PolarHBondContact O-N 3.18Å; L2096-R2099 PolarHBondContact O-N 2.8Å; R2099-S2101 VanDerWaalsContact C-N 3.34Å; R2099-S2103 WeakPolarHBondContact O-CB 3.41Å; R2099-S2103 PolarHBondContact O-N 2.99Å
2100M82.6Confident80.3Confident86 Ų8672.2 Ų72.242%0.42436%0.358SS..Hα-helixtrans-64.9-39173.8-74.5-172.1-48.600111.3L2096 R2097 S2098 S2103 Y2104L2096-M2100 HydrophobicContact CD2-CE 3.76Å; L2096-M2100 HydrophobicContact CD2-CG 4.28Å; L2096-M2100 HydrophobicContact CD2-SD 3.77Å; L2096-M2100 WeakPolarHBondContact O-CB 3.34Å; L2096-M2100 VanDerWaalsContact O-CG 3.25Å; L2096-M2100 WeakPolarHBondContact O-CG 3.33Å; L2096-M2100 PolarHBondContact O-N 3.09Å; R2097-M2100 HydrophobicContact CG-CE 4.38Å; R2097-M2100 PolarHBondContact O-N 3.48Å; S2098-M2100 PolarHBondContact O-N 3.47Å; M2100-S2103 PolarHBondContact O-N 3.29Å; M2100-Y2104 WeakPolarHBondContact O-CB 3.35Å; M2100-Y2104 PolarHBondContact O-N 2.98Å
2101S82.9Confident80.8Confident0 Ų064.5 Ų64.50%033%0.332CS..Hα-helixtrans-70.1-44.4178.7-54.30000112.1R2097 S2098 R2099 S2103 Y2104 L2105 S2221 T2225R2097-S2101 PolarHBondContact O-N 3.42Å; R2097-S2101 PolarHBondContact O-OG 3.46Å; S2098-S2101 PolarHBondContact O-N 3.32Å; S2098-S2101 VanDerWaalsContact O-N 3.11Å; R2099-S2101 VanDerWaalsContact C-N 3.34Å; S2101-S2103 VanDerWaalsContact C-N 3.34Å; S2101-Y2104 PolarHBondContact O-N 3.03Å; S2101-L2105 WeakPolarHBondContact O-CB 3.34Å; S2101-L2105 PolarHBondContact O-N 3.35Å; S2101-S2221 VanDerWaalsContact OG-C 3.24Å; S2101-S2221 PolarHBondContact OG-O 3.37Å; S2101-T2225 WeakPolarHBondContact OG-CG2 3.27Å; S2101-T2225 PolarHBondContact OG-OG1 3.26Å
2102V85.9Confident81.4Confident19 Ų1962.6 Ų62.612%0.11532%0.322CS..Hα-helixtrans-66-36173.2172.90000111.4L2083 T2084 S2098 K2106L2083-V2102 HydrophobicContact CB-CG2 4.22Å; T2084-V2102 WeakPolarHBondContact OG1-CG2 3.27Å; S2098-V2102 WeakPolarHBondContact O-CG2 3.14Å; S2098-V2102 PolarHBondContact O-N 3.17Å; V2102-K2106 HydrophobicContact CG1-CD 4.34Å; V2102-K2106 WeakPolarHBondContact O-CB 3.44Å; V2102-K2106 VanDerWaalsContact O-CG 3.28Å; V2102-K2106 WeakPolarHBondContact O-CG 3.26Å; V2102-K2106 PolarHBondContact O-N 2.96Å
2103S84.8Confident82Confident82 Ų8257.5 Ų57.557%0.57329%0.29SS*.Hα-helixtrans-71-34175.1-170.30000112.6R2099 M2100 S2101 G2107R2099-S2103 WeakPolarHBondContact O-CB 3.41Å; R2099-S2103 PolarHBondContact O-N 2.99Å; M2100-S2103 PolarHBondContact O-N 3.29Å; S2101-S2103 VanDerWaalsContact C-N 3.34Å; S2103-G2107 PolarHBondContact O-N 3.33Å
2104Y87.2Confident82.6Confident46 Ų4653.6 Ų53.618%0.1827%0.269CS..Hα-helixtrans-67.9-47.7173.6-176.1-89.7000110.2M2100 S2101 K2106 G2107 Y2108 Q2209 P2219 S2221 I2222 F2301M2100-Y2104 WeakPolarHBondContact O-CB 3.35Å; M2100-Y2104 PolarHBondContact O-N 2.98Å; S2101-Y2104 PolarHBondContact O-N 3.03Å; Y2104-K2106 VanDerWaalsContact C-N 3.29Å; Y2104-K2106 PolarHBondContact O-N 2.93Å; Y2104-G2107 PolarHBondContact O-N 3.49Å; Y2104-Y2108 HydrophobicContact CD1-CE2 4.31Å; Y2104-Y2108 HydrophobicContact CE1-CD2 4.44Å; Y2104-Y2108 AromaticContact CE1-CE2 3.86Å; Y2104-Y2108 HydrophobicContact CE1-CE2 3.86Å; Y2104-Y2108 HydrophobicContact CE2-CE2 4.33Å; Y2104-Y2108 AromaticContact CZ-CE2 3.87Å; Y2104-Y2108 WeakPolarHBondContact O-CD2 3.29Å; Y2104-Q2209 WeakPolarHBondContact OH-CB 3.37Å; Y2104-Q2209 VanDerWaalsContact OH-CD 3.25Å; Y2104-Q2209 PolarHBondContact OH-OE1 3.25Å; Y2104-P2219 HydrophobicContact CD1-CB 4.48Å; Y2104-P2219 HydrophobicContact CE1-CB 3.65Å; Y2104-S2221 WeakPolarHBondContact CB-OG 3.36Å; Y2104-S2221 VanDerWaalsContact CG-OG 3.29Å; Y2104-I2222 HydrophobicContact CD1-CD1 3.92Å; Y2104-I2222 HydrophobicContact CD1-CG1 4.24Å; Y2104-I2222 HydrophobicContact CE1-CD1 4.13Å; Y2104-F2301 HydrophobicContact CE1-CD1 4.49Å; Y2104-F2301 HydrophobicContact CE1-CD2 4.45Å; Y2104-F2301 HydrophobicContact CE1-CG 4.38Å
2105L85.9Confident83.3Confident6 Ų653.7 Ų53.73%0.03127%0.27CS..Hα-helixtrans-59.9-37.9176.7-168.367000112.3L2076 L2079 N2080 L2083 S2101 G2107 Y2108 I2113 F2301L2076-L2105 HydrophobicContact CD1-CD1 3.7Å; L2076-L2105 HydrophobicContact CD1-CD2 4.09Å; L2076-L2105 HydrophobicContact CD1-CG 3.98Å; L2079-L2105 HydrophobicContact CD2-CD1 4.12Å; L2079-L2105 HydrophobicContact CG-CD2 4.46Å; N2080-L2105 HydrophobicContact CB-CD2 3.58Å; L2083-L2105 HydrophobicContact CD1-CD2 4.32Å; S2101-L2105 WeakPolarHBondContact O-CB 3.34Å; S2101-L2105 PolarHBondContact O-N 3.35Å; L2105-G2107 PolarHBondContact O-N 3.11Å; L2105-Y2108 PolarHBondContact O-N 3.33Å; L2105-I2113 HydrophobicContact CD1-CD1 4.2Å; L2105-F2301 HydrophobicContact CD1-CE1 3.9Å; L2105-F2301 HydrophobicContact CD1-CZ 4.42Å
2106K84.8Confident83.7Confident158 Ų15851.2 Ų51.269%0.68726%0.257SS*.THydrogen-bonded Turntrans-68.3-10.6173.5-78178.6179.5-176.40114.8V2102 Y2104 Y2108V2102-K2106 HydrophobicContact CG1-CD 4.34Å; V2102-K2106 WeakPolarHBondContact O-CB 3.44Å; V2102-K2106 VanDerWaalsContact O-CG 3.28Å; V2102-K2106 WeakPolarHBondContact O-CG 3.26Å; V2102-K2106 PolarHBondContact O-N 2.96Å; Y2104-K2106 VanDerWaalsContact C-N 3.29Å; Y2104-K2106 PolarHBondContact O-N 2.93Å; K2106-Y2108 VanDerWaalsContact C-N 3.3Å
2107G80.5Confident83.9Confident63 Ų6348 Ų4865%0.64924%0.238SC*.THydrogen-bonded Turntrans-76.7-17.1173.500000113.7S2103 Y2104 L2105S2103-G2107 PolarHBondContact O-N 3.33Å; Y2104-G2107 PolarHBondContact O-N 3.49Å; L2105-G2107 PolarHBondContact O-N 3.11Å
2108Y82.5Confident84.2Confident33 Ų3346.1 Ų46.113%0.12923%0.231CC..SBendtrans-118.3144.1-176.4-62.9-84.6000110.6Y2104 L2105 K2106 D2112 Q2209 F2301 D2303Y2104-Y2108 HydrophobicContact CD1-CE2 4.31Å; Y2104-Y2108 HydrophobicContact CE1-CD2 4.44Å; Y2104-Y2108 AromaticContact CE1-CE2 3.86Å; Y2104-Y2108 HydrophobicContact CE1-CE2 3.86Å; Y2104-Y2108 HydrophobicContact CE2-CE2 4.33Å; Y2104-Y2108 AromaticContact CZ-CE2 3.87Å; Y2104-Y2108 WeakPolarHBondContact O-CD2 3.29Å; L2105-Y2108 PolarHBondContact O-N 3.33Å; K2106-Y2108 VanDerWaalsContact C-N 3.3Å; Y2108-D2112 HydrophobicContact CD1-CB 3.92Å; Y2108-Q2209 PolarHBondContact OH-NE2 3.41Å; Y2108-Q2209 VanDerWaalsContact OH-NE2 3.08Å; Y2108-F2301 HydrophobicContact CD1-CB 4.38Å; Y2108-F2301 AromaticContact CD2-CD1 3.98Å; Y2108-F2301 HydrophobicContact CD2-CD1 3.98Å; Y2108-F2301 HydrophobicContact CE1-CB 4.16Å; Y2108-F2301 HydrophobicContact CE2-CB 4.32Å; Y2108-F2301 HydrophobicContact CE2-CD1 4.41Å; Y2108-F2301 HydrophobicContact CG-CD1 4.15Å; Y2108-D2303 WeakPolarHBondContact CE1-OD1 3.25Å; Y2108-D2303 PolarHBondContact OH-OD1 2.91Å
2109T81.6Confident84.4Confident55 Ų5550 Ų5034%0.33724%0.244SC..  trans-90.1170.8169.270.30000110.7E2111 D2112 I2113 R2304T2109-E2111 PolarHBondContact O-N 3.26Å; T2109-E2111 PolarHBondContact OG1-N 3.5Å; T2109-D2112 WeakPolarHBondContact CA-OD2 3.5Å; T2109-D2112 VanDerWaalsContact CB-OD2 3.3Å; T2109-D2112 WeakPolarHBondContact CB-OD2 3.41Å; T2109-D2112 PolarHBondContact N-OD2 3.34Å; T2109-D2112 PolarHBondContact O-N 3.24Å; T2109-D2112 PolarHBondContact OG1-OD2 3.29Å; T2109-I2113 WeakPolarHBondContact O-CG1 3.33Å; T2109-R2304 PolarHBondContact OG1-NH2 3.41Å; T2109-R2304 VanDerWaalsContact OG1-NH2 3.11Å
2110Y84.3Confident84.4Confident107 Ų10741.5 Ų41.542%0.4221%0.212SC..G310 helixtrans-62.7-22.1176.666.1-93.4000112.9
2111E78.3Confident84.5Confident77 Ų7739 Ų3936%0.3620%0.2SC..G310 helixtrans-79.2-23175.8-55.4-179.8171.700112.3I2035 T2109 I2113I2035-E2111 HydrophobicContact CD1-CB 3.62Å; T2109-E2111 PolarHBondContact O-N 3.26Å; T2109-E2111 PolarHBondContact OG1-N 3.5Å; E2111-I2113 VanDerWaalsContact C-N 3.32Å
2112D83Confident84.7Confident3 Ų339.7 Ų39.72%0.01620%0.204CC..G310 helixtrans-87.40.1177.1-51.7-67.1000112.2Y2108 T2109 I2302 R2304Y2108-D2112 HydrophobicContact CD1-CB 3.92Å; T2109-D2112 WeakPolarHBondContact CA-OD2 3.5Å; T2109-D2112 VanDerWaalsContact CB-OD2 3.3Å; T2109-D2112 WeakPolarHBondContact CB-OD2 3.41Å; T2109-D2112 PolarHBondContact N-OD2 3.34Å; T2109-D2112 PolarHBondContact O-N 3.24Å; T2109-D2112 PolarHBondContact OG1-OD2 3.29Å; D2112-I2302 PolarHBondContact O-N 3.44Å; D2112-R2304 VanDerWaalsContact OD1-CG 3.3Å; D2112-R2304 WeakPolarHBondContact OD1-CG 3.48Å; D2112-R2304 IonicContact OD1-CZ 3.23Å; D2112-R2304 IonicContact OD1-NE 3.42Å; D2112-R2304 PolarHBondContact OD1-NE 2.99Å; D2112-R2304 IonicContact OD1-NH2 2.66Å; D2112-R2304 PolarHBondContact OD1-NH2 2.93Å; D2112-R2304 IonicContact OD2-CZ 3.35Å; D2112-R2304 IonicContact OD2-NE 3.8Å; D2112-R2304 PolarHBondContact OD2-NE 3.04Å; D2112-R2304 IonicContact OD2-NH2 2.67Å; D2112-R2304 PolarHBondContact OD2-NH2 2.98Å
2113I88Confident84.6Confident1 Ų144.2 Ų44.21%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-120.6113-176-57.9169.9000110.4I2071 L2076 L2105 T2109 E2111 V2299 F2301I2071-I2113 HydrophobicContact CB-CB 4.31Å; I2071-I2113 HydrophobicContact CB-CG2 3.95Å; I2071-I2113 HydrophobicContact CD1-CG2 4.14Å; I2071-I2113 HydrophobicContact CG2-CB 3.64Å; I2071-I2113 HydrophobicContact CG2-CD1 4.36Å; I2071-I2113 HydrophobicContact CG2-CG2 3.78Å; I2071-I2113 PolarHBondContact N-O 2.77Å; L2076-I2113 HydrophobicContact CD1-CD1 3.74Å; L2076-I2113 HydrophobicContact CD2-CD1 4.49Å; L2105-I2113 HydrophobicContact CD1-CD1 4.2Å; T2109-I2113 WeakPolarHBondContact O-CG1 3.33Å; E2111-I2113 VanDerWaalsContact C-N 3.32Å; I2113-V2299 HydrophobicContact CG2-CG1 3.91Å; I2113-F2301 HydrophobicContact CD1-CD1 4.13Å; I2113-F2301 HydrophobicContact CD1-CE1 3.89Å; I2113-F2301 HydrophobicContact CG1-CD1 3.78Å; I2113-F2301 HydrophobicContact CG1-CE1 4Å; I2113-F2301 HydrophobicContact CG2-CE1 4.44Å
2114L85.1Confident84.5Confident12 Ų1244 Ų446%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-103.8138.5-176.9-173.670.6000111.4P2038 L2068 V2116 F2154 V2299 G2300 I2302P2038-L2114 HydrophobicContact CG-CD2 3.51Å; L2068-L2114 HydrophobicContact CB-CD1 4.23Å; L2068-L2114 HydrophobicContact CD2-CD2 3.98Å; L2068-L2114 HydrophobicContact CG-CD1 4.45Å; L2068-L2114 HydrophobicContact CG-CD2 4.25Å; L2114-V2116 HydrophobicContact CD2-CG2 3.8Å; L2114-V2116 HydrophobicContact CG-CG2 4.09Å; L2114-F2154 HydrophobicContact CD2-CE1 4.49Å; L2114-V2299 CarbonylContact O-C 3.35Å; L2114-V2299 WeakPolarHBondContact O-CA 3.29Å; L2114-G2300 PolarHBondContact N-O 3.04Å; L2114-G2300 PolarHBondContact O-N 2.91Å; L2114-I2302 HydrophobicContact CB-CD1 3.93Å; L2114-I2302 HydrophobicContact CD2-CD1 4.3Å
2115I86.7Confident84.4Confident1 Ų148.6 Ų48.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-104.4114.7167.6-55175.1000107.4G2069 I2071 R2117 I2283 Q2297G2069-I2115 PolarHBondContact N-O 3.36Å; G2069-I2115 WeakPolarHBondContact O-CA 3.35Å; G2069-I2115 WeakPolarHBondContact O-CB 3.47Å; G2069-I2115 PolarHBondContact O-N 3.09Å; I2071-I2115 HydrophobicContact CB-CD1 4.34Å; I2071-I2115 HydrophobicContact CB-CG1 4.48Å; I2071-I2115 HydrophobicContact CG1-CD1 4.29Å; I2115-R2117 HydrophobicContact CG2-CG 4.31Å; I2115-I2283 HydrophobicContact CD1-CG2 4.5Å; I2115-Q2297 HydrophobicContact CG2-CG 3.68Å
2116V86.1Confident84.4Confident0 Ų048.8 Ų48.80%023%0.234CC..EExtended strand (participates in β ladder)trans-98.6130.6176.2-172.60000108.7V2041 A2058 L2114 F2118 F2154 Q2297 V2298V2041-V2116 HydrophobicContact CB-CG1 4Å; V2041-V2116 HydrophobicContact CG1-CG1 4.19Å; V2041-V2116 HydrophobicContact CG2-CG1 4.28Å; V2041-V2116 HydrophobicContact CG2-CG2 4.13Å; A2058-V2116 HydrophobicContact CB-CG1 3.92Å; L2114-V2116 HydrophobicContact CD2-CG2 3.8Å; L2114-V2116 HydrophobicContact CG-CG2 4.09Å; V2116-F2118 HydrophobicContact CB-CE2 4.41Å; V2116-F2118 HydrophobicContact CB-CZ 4.46Å; V2116-F2118 HydrophobicContact CG1-CD2 4.39Å; V2116-F2118 HydrophobicContact CG1-CE1 3.92Å; V2116-F2118 HydrophobicContact CG1-CE2 3.74Å; V2116-F2118 HydrophobicContact CG1-CZ 3.45Å; V2116-F2118 VanDerWaalsContact CG1-CZ 3.45Å; V2116-F2154 HydrophobicContact CG2-CE1 4.03Å; V2116-F2154 HydrophobicContact CG2-CZ 4.33Å; V2116-Q2297 WeakPolarHBondContact O-CA 3.38Å; V2116-V2298 PolarHBondContact N-O 2.95Å; V2116-V2298 PolarHBondContact O-N 3.09Å
2117R85.2Confident84.2Confident32 Ų3245.1 Ų45.112%0.12123%0.227CC..EExtended strand (participates in β ladder)trans-123.3113.1178.5-58.3-172.8-175.6105.24.2110.6A2066 E2067 I2115 Y2295 L2296 Q2297A2066-R2117 PolarHBondContact O-NH1 3.27Å; E2067-R2117 PolarHBondContact O-N 3.47Å; I2115-R2117 HydrophobicContact CG2-CG 4.31Å; R2117-Y2295 HydrophobicContact CB-CD1 3.87Å; R2117-Y2295 HydrophobicContact CB-CG 4.28Å; R2117-L2296 WeakPolarHBondContact CA-O 3.48Å; R2117-Q2297 HydrophobicContact CG-CG 4.42Å
2118F86.8Confident84.2Confident1 Ų143.3 Ų43.30%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-90.9138.4173.7-54.4-78.7000109.9V2041 L2043 Y2054 M2056 A2058 V2116 L2152 Y2295 L2296 V2298V2041-F2118 HydrophobicContact CB-CE1 4.48Å; V2041-F2118 HydrophobicContact CB-CZ 4.45Å; V2041-F2118 HydrophobicContact CG1-CE1 4.29Å; V2041-F2118 HydrophobicContact CG1-CZ 3.88Å; L2043-F2118 HydrophobicContact CB-CD1 3.83Å; L2043-F2118 HydrophobicContact CB-CD2 4.39Å; L2043-F2118 HydrophobicContact CB-CE1 3.59Å; L2043-F2118 HydrophobicContact CB-CE2 4.18Å; L2043-F2118 HydrophobicContact CB-CG 4.23Å; L2043-F2118 HydrophobicContact CB-CZ 3.78Å; L2043-F2118 HydrophobicContact CD2-CD1 4.49Å; L2043-F2118 HydrophobicContact CD2-CD2 3.81Å; L2043-F2118 HydrophobicContact CD2-CE2 4.05Å; L2043-F2118 HydrophobicContact CD2-CG 4.05Å; L2043-F2118 HydrophobicContact CD2-CZ 4.5Å; Y2054-F2118 WeakPolarHBondContact OH-CB 3.48Å; M2056-F2118 HydrophobicContact CB-CB 4.41Å; M2056-F2118 HydrophobicContact CB-CD1 4.28Å; M2056-F2118 HydrophobicContact CG-CB 3.81Å; M2056-F2118 HydrophobicContact CG-CD1 3.93Å; M2056-F2118 HydrophobicContact CG-CG 4.38Å; A2058-F2118 HydrophobicContact CB-CD1 4.1Å; A2058-F2118 HydrophobicContact CB-CE1 4.06Å; V2116-F2118 HydrophobicContact CB-CE2 4.41Å; V2116-F2118 HydrophobicContact CB-CZ 4.46Å; V2116-F2118 HydrophobicContact CG1-CD2 4.39Å; V2116-F2118 HydrophobicContact CG1-CE1 3.92Å; V2116-F2118 HydrophobicContact CG1-CE2 3.74Å; V2116-F2118 HydrophobicContact CG1-CZ 3.45Å; V2116-F2118 VanDerWaalsContact CG1-CZ 3.45Å; F2118-L2152 HydrophobicContact CE2-CD1 4.25Å; F2118-L2152 HydrophobicContact CZ-CD1 3.65Å; F2118-Y2295 WeakPolarHBondContact O-CD1 3.18Å; F2118-L2296 HydrophobicContact CB-CB 4.14Å; F2118-L2296 HydrophobicContact CB-CD2 4.41Å; F2118-L2296 HydrophobicContact CB-CG 4.37Å; F2118-L2296 HydrophobicContact CD2-CG 4.26Å; F2118-L2296 PolarHBondContact N-O 2.66Å; F2118-L2296 PolarHBondContact O-N 3.35Å; F2118-V2298 HydrophobicContact CE2-CB 4.33Å; F2118-V2298 HydrophobicContact CE2-CG2 3.99Å
2119R85.5Confident84.3Confident89 Ų8944.7 Ų44.734%0.33622%0.216SC..  trans-67.7144.4178.6-56.4177-172.5169.69.3110Y2054 M2056 E2067 E2121 Y2295Y2054-R2119 WeakPolarHBondContact CE2-O 3.35Å; Y2054-R2119 PolarHBondContact OH-O 3.02Å; M2056-R2119 HydrophobicContact CE-CB 3.76Å; M2056-R2119 HydrophobicContact CE-CG 4.37Å; M2056-R2119 HydrophobicContact SD-CB 3.91Å; M2056-R2119 HydrophobicContact SD-CG 3.98Å; E2067-R2119 IonicContact OE1-CZ 2.62Å; E2067-R2119 IonicContact OE1-NE 3.11Å; E2067-R2119 PolarHBondContact OE1-NE 3.48Å; E2067-R2119 IonicContact OE1-NH2 2.73Å; E2067-R2119 PolarHBondContact OE1-NH2 2.83Å; R2119-E2121 PolarHBondContact O-N 3Å; R2119-Y2295 HydrophobicContact CG-CE1 3.94Å
2120P83.9Confident84.3Confident0 Ų046.9 Ų46.90%022%0.223CC..SBendtrans-67.3-23.7-176.624.8-32.4000113.6I2268 A2269 Y2290 R2293P2120-I2268 HydrophobicContact CB-CG2 4.47Å; P2120-I2268 CarbonylContact O-C 3.6Å; P2120-I2268 VanDerWaalsContact O-CA 3.23Å; P2120-I2268 WeakPolarHBondContact O-CA 3.41Å; P2120-A2269 PolarHBondContact O-N 2.82Å; P2120-Y2290 HydrophobicContact CG-CD1 4.12Å; P2120-R2293 HydrophobicContact CB-CB 4.03Å; P2120-R2293 HydrophobicContact CG-CB 3.74Å
2121E86Confident84.3Confident34 Ų3447.9 Ų47.916%0.15924%0.236CC..BIsolated β-bridgetrans-95.1132.9178.7-67.8167.8-170.400109.5M2056 R2119 M2266 I2268 Y2290 S2291 R2293M2056-E2121 WeakPolarHBondContact CE-O 3.37Å; R2119-E2121 PolarHBondContact O-N 3Å; E2121-M2266 HydrophobicContact CB-CE 3.69Å; E2121-M2266 HydrophobicContact CG-CE 3.59Å; E2121-I2268 HydrophobicContact CG-CG1 4.05Å; E2121-Y2290 WeakPolarHBondContact OE2-CE1 3.37Å; E2121-S2291 VanDerWaalsContact OE1-CB 3.22Å; E2121-S2291 WeakPolarHBondContact OE1-CB 3.17Å; E2121-S2291 PolarHBondContact OE1-OG 3.01Å; E2121-R2293 IonicContact OE1-CZ 2.78Å; E2121-R2293 IonicContact OE1-NH1 3.22Å; E2121-R2293 PolarHBondContact OE1-NH1 3.41Å
2122S86.9Confident84.6Confident14 Ų1445.6 Ų45.610%0.09823%0.228CC..  trans-57.4137.5175.5-174.70000111.4E2055 I2124 W2267E2055-S2122 PolarHBondContact N-OG 3.29Å; E2055-S2122 PolarHBondContact O-OG 2.9Å; S2122-I2124 VanDerWaalsContact C-N 3.29Å; S2122-I2124 PolarHBondContact O-N 3Å; S2122-I2124 PolarHBondContact OG-O 2.86Å; S2122-W2267 WeakPolarHBondContact CB-O 3.46Å; S2122-W2267 PolarHBondContact N-O 3.43Å
2123E84.5Confident84.6Confident115 Ų11546.6 Ų46.654%0.53723%0.232SC..SBendtrans-69-32.4178.4-174.8175.5-178.400111.5E2055 M2056 E2057E2055-E2123 WeakPolarHBondContact O-CB 3.5Å; E2055-E2123 PolarHBondContact O-N 3.4Å; M2056-E2123 HydrophobicContact CE-CB 3.77Å; M2056-E2123 HydrophobicContact SD-CB 4.42Å; E2057-E2123 PolarHBondContact N-OE2 3.16Å
2124I83Confident84.6Confident78 Ų7850.3 Ų50.340%0.425%0.251SS..SBendtrans-109.9129.8-178.6-61.2171.6000108.9E2055 S2122E2055-I2124 HydrophobicContact CB-CD1 4.48Å; E2055-I2124 HydrophobicContact CG-CD1 4.19Å; S2122-I2124 VanDerWaalsContact C-N 3.29Å; S2122-I2124 PolarHBondContact O-N 3Å; S2122-I2124 PolarHBondContact OG-O 2.86Å
2125Y84.4Confident84.5Confident141 Ų14151.8 Ų51.855%0.55327%0.265SS*.  trans-62.3137.6168.4-68.6-70.5000110.3P2127 E2264 M2266Y2125-P2127 WeakPolarHBondContact O-CD 3.34Å; Y2125-E2264 HydrophobicContact CE1-CB 4.44Å; Y2125-M2266 HydrophobicContact CD1-CB 4.13Å; Y2125-M2266 HydrophobicContact CE1-CB 4.32Å
2126W85.3Confident84.4Confident10 Ų1051.8 Ų51.84%0.03827%0.265CS..  trans-60.3106.9-171.3-17638.9000112.2P2052 L2053 I2128 R2133 M2136 L2190 K2265 W2267P2052-W2126 VanDerWaalsContact O-CD1 3.27Å; L2053-W2126 HydrophobicContact CD2-CD2 4.44Å; L2053-W2126 HydrophobicContact CD2-CZ2 3.68Å; W2126-I2128 HydrophobicContact CD2-CB 3.99Å; W2126-I2128 HydrophobicContact CD2-CG2 3.54Å; W2126-I2128 HydrophobicContact CE3-CB 4.49Å; W2126-I2128 HydrophobicContact CE3-CG2 3.56Å; W2126-I2128 HydrophobicContact CG-CB 4.44Å; W2126-I2128 HydrophobicContact CG-CG2 4.29Å; W2126-I2128 HydrophobicContact CH2-CB 4.47Å; W2126-I2128 HydrophobicContact CH2-CD1 3.83Å; W2126-I2128 HydrophobicContact CH2-CG2 3.76Å; W2126-I2128 HydrophobicContact CZ2-CB 4Å; W2126-I2128 HydrophobicContact CZ2-CD1 3.25Å; W2126-I2128 HydrophobicContact CZ2-CG1 4.19Å; W2126-I2128 HydrophobicContact CZ2-CG2 3.78Å; W2126-I2128 HydrophobicContact CZ3-CG2 3.66Å; W2126-I2128 PolarHBondContact O-N 3.12Å; W2126-R2133 HydrophobicContact CH2-CG 4.3Å; W2126-M2136 HydrophobicContact CZ2-CE 4.13Å; W2126-M2136 HydrophobicContact CZ2-SD 4.19Å; W2126-L2190 HydrophobicContact CH2-CD2 3.54Å; W2126-L2190 HydrophobicContact CZ2-CD2 4.03Å; W2126-L2190 HydrophobicContact CZ3-CD2 4.44Å; W2126-K2265 HydrophobicContact CB-CB 4.48Å; W2126-K2265 WeakPolarHBondContact CB-O 3.43Å; W2126-K2265 HydrophobicContact CE3-CB 4.4Å; W2126-K2265 HydrophobicContact CE3-CD 4.4Å; W2126-K2265 PolarHBondContact N-O 2.93Å; W2126-W2267 AromaticContact CD2-NE1 3.32Å; W2126-W2267 VanDerWaalsContact CD2-NE1 3.32Å; W2126-W2267 AromaticContact CE2-NE1 3.82Å; W2126-W2267 HydrophobicContact CE3-CZ2 4.31Å; W2126-W2267 AromaticContact CE3-NE1 3.5Å; W2126-W2267 AromaticContact CG-CD1 3.89Å; W2126-W2267 AromaticContact CG-NE1 3.5Å; W2126-W2267 HydrophobicContact CH2-CZ2 4.23Å; W2126-W2267 HydrophobicContact CZ3-CZ2 4.09Å
2127P80.7Confident84.4Confident82 Ų8253 Ų5353%0.53227%0.271SS..  trans-89.750.2-165.436.5-34.3000111.1P2051 Y2125P2051-P2127 HydrophobicContact CB-CG 4.02Å; Y2125-P2127 WeakPolarHBondContact O-CD 3.34Å
2128I81.1Confident84.3Confident25 Ų2554.4 Ų54.413%0.12828%0.282CS..  trans-91133-178.8-157.9165.4000111.2W2126 S2132 R2133 M2136W2126-I2128 HydrophobicContact CD2-CB 3.99Å; W2126-I2128 HydrophobicContact CD2-CG2 3.54Å; W2126-I2128 HydrophobicContact CE3-CB 4.49Å; W2126-I2128 HydrophobicContact CE3-CG2 3.56Å; W2126-I2128 HydrophobicContact CG-CB 4.44Å; W2126-I2128 HydrophobicContact CG-CG2 4.29Å; W2126-I2128 HydrophobicContact CH2-CB 4.47Å; W2126-I2128 HydrophobicContact CH2-CD1 3.83Å; W2126-I2128 HydrophobicContact CH2-CG2 3.76Å; W2126-I2128 HydrophobicContact CZ2-CB 4Å; W2126-I2128 HydrophobicContact CZ2-CD1 3.25Å; W2126-I2128 HydrophobicContact CZ2-CG1 4.19Å; W2126-I2128 HydrophobicContact CZ2-CG2 3.78Å; W2126-I2128 HydrophobicContact CZ3-CG2 3.66Å; W2126-I2128 PolarHBondContact O-N 3.12Å; I2128-S2132 WeakPolarHBondContact CG1-OG 3.23Å; I2128-R2133 HydrophobicContact CD1-CB 3.92Å; I2128-R2133 HydrophobicContact CG1-CB 4.12Å; I2128-R2133 HydrophobicContact CG2-CB 4.16Å; I2128-M2136 HydrophobicContact CD1-CE 3.88Å; I2128-M2136 HydrophobicContact CD1-SD 4.46Å
2129S84Confident84Confident62 Ų6257.6 Ų57.643%0.43430%0.295SS..  trans-71.9151.5168.571.60000110.2D2131 S2132 R2133S2129-D2131 PolarHBondContact O-N 3.32Å; S2129-S2132 PolarHBondContact N-OG 3.19Å; S2129-S2132 PolarHBondContact O-N 3.37Å; S2129-S2132 VanDerWaalsContact O-N 3.13Å; S2129-S2132 PolarHBondContact O-OG 3.12Å; S2129-S2132 VanDerWaalsContact O-OG 3.04Å; S2129-S2132 WeakPolarHBondContact OG-CB 3.44Å; S2129-S2132 PolarHBondContact OG-N 3.48Å; S2129-S2132 PolarHBondContact OG-OG 2.98Å; S2129-R2133 WeakPolarHBondContact O-CB 3.41Å; S2129-R2133 PolarHBondContact O-N 3.46Å
2130Q81.4Confident83.6Confident101 Ų10153.4 Ų53.447%0.47228%0.28SS..Hα-helixtrans-60.1-31.8177.6-173.667.63.400111.4N2134Q2130-N2134 WeakPolarHBondContact O-CB 3.39Å; Q2130-N2134 PolarHBondContact O-N 3.37Å; Q2130-N2134 PolarHBondContact O-ND2 3.23Å; Q2130-N2134 PolarHBondContact O-OD1 3.04Å
2131D84.1Confident83.4Confident128 Ų12857.1 Ų57.168%0.68431%0.305SS*.Hα-helixtrans-68.7-43.5173.9-59.9-40.2000113S2129 R2133 N2134 A2135S2129-D2131 PolarHBondContact O-N 3.32Å; D2131-R2133 VanDerWaalsContact C-N 3.34Å; D2131-N2134 PolarHBondContact O-N 3.04Å; D2131-A2135 VanDerWaalsContact O-CB 3.3Å; D2131-A2135 WeakPolarHBondContact O-CB 3.15Å; D2131-A2135 PolarHBondContact O-N 3.06Å
2132S84.5Confident82.9Confident29 Ų2962.3 Ų62.320%0.20332%0.324CS..Hα-helixtrans-70.7-31177.152.80000112.1Y2050 I2128 S2129 A2135 M2136Y2050-S2132 WeakPolarHBondContact CE1-O 3.46Å; I2128-S2132 WeakPolarHBondContact CG1-OG 3.23Å; S2129-S2132 PolarHBondContact N-OG 3.19Å; S2129-S2132 PolarHBondContact O-N 3.37Å; S2129-S2132 VanDerWaalsContact O-N 3.13Å; S2129-S2132 PolarHBondContact O-OG 3.12Å; S2129-S2132 VanDerWaalsContact O-OG 3.04Å; S2129-S2132 WeakPolarHBondContact OG-CB 3.44Å; S2129-S2132 PolarHBondContact OG-N 3.48Å; S2129-S2132 PolarHBondContact OG-OG 2.98Å; S2132-A2135 PolarHBondContact O-N 3.27Å; S2132-M2136 WeakPolarHBondContact O-CB 3.17Å; S2132-M2136 PolarHBondContact O-N 2.67Å
2133R83.4Confident82.3Confident24 Ų2468.3 Ų68.39%0.09136%0.355CS..Hα-helixtrans-64.6-46168.8-176.7-174.5179.8-153.53.6111.6W2126 I2128 S2129 D2131 A2135 M2136 I2137 L2190 R2191W2126-R2133 HydrophobicContact CH2-CG 4.3Å; I2128-R2133 HydrophobicContact CD1-CB 3.92Å; I2128-R2133 HydrophobicContact CG1-CB 4.12Å; I2128-R2133 HydrophobicContact CG2-CB 4.16Å; S2129-R2133 WeakPolarHBondContact O-CB 3.41Å; S2129-R2133 PolarHBondContact O-N 3.46Å; D2131-R2133 VanDerWaalsContact C-N 3.34Å; R2133-A2135 VanDerWaalsContact C-N 3.34Å; R2133-M2136 WeakPolarHBondContact O-CB 3.34Å; R2133-M2136 PolarHBondContact O-N 3.06Å; R2133-I2137 HydrophobicContact CG-CD1 4.2Å; R2133-I2137 VanDerWaalsContact O-CG1 3.3Å; R2133-I2137 WeakPolarHBondContact O-CG1 3.38Å; R2133-I2137 PolarHBondContact O-N 2.75Å; R2133-L2190 VanDerWaalsContact CZ-O 3.25Å; R2133-L2190 PolarHBondContact NE-O 2.64Å; R2133-L2190 PolarHBondContact NH2-O 3.25Å; R2133-R2191 PolarHBondContact NH2-O 3.1Å
2134N87.4Confident81.6Confident79 Ų7965.9 Ų65.942%0.42235%0.347SS..Hα-helixtrans-63.4-40.8174.8-71.1-18000111.3Q2130 D2131 I2137 D2138Q2130-N2134 WeakPolarHBondContact O-CB 3.39Å; Q2130-N2134 PolarHBondContact O-N 3.37Å; Q2130-N2134 PolarHBondContact O-ND2 3.23Å; Q2130-N2134 PolarHBondContact O-OD1 3.04Å; D2131-N2134 PolarHBondContact O-N 3.04Å; N2134-I2137 PolarHBondContact O-N 3.49Å; N2134-D2138 WeakPolarHBondContact O-CB 3.42Å; N2134-D2138 PolarHBondContact O-N 3.11Å
2135A84.2Confident81.1Confident43 Ų4366.6 Ų66.636%0.35536%0.359SS..Hα-helixtrans-66.4-34.7175.100000112.6Y2050 D2131 S2132 R2133 D2138 K2139Y2050-A2135 PolarHBondContact OH-O 2.82Å; D2131-A2135 VanDerWaalsContact O-CB 3.3Å; D2131-A2135 WeakPolarHBondContact O-CB 3.15Å; D2131-A2135 PolarHBondContact O-N 3.06Å; S2132-A2135 PolarHBondContact O-N 3.27Å; R2133-A2135 VanDerWaalsContact C-N 3.34Å; A2135-D2138 PolarHBondContact O-N 3.26Å; A2135-K2139 VanDerWaalsContact O-CB 3.25Å; A2135-K2139 WeakPolarHBondContact O-CB 3.32Å; A2135-K2139 PolarHBondContact O-N 3.1Å
2136M85Confident80.7Confident1 Ų159.9 Ų59.91%0.00533%0.333CS..Hα-helixtrans-65.1-46.9172.4-177.5-172-78.800110.9I2047 Y2050 W2126 I2128 S2132 R2133 D2138 K2139 L2140 L2190I2047-M2136 HydrophobicContact CB-CE 4.11Å; I2047-M2136 HydrophobicContact CD1-CE 3.92Å; I2047-M2136 HydrophobicContact CD1-CG 4.49Å; I2047-M2136 HydrophobicContact CD1-SD 3.68Å; I2047-M2136 HydrophobicContact CG2-CE 4.49Å; Y2050-M2136 HydrophobicContact CD1-CB 4.13Å; Y2050-M2136 HydrophobicContact CD1-CE 3.77Å; Y2050-M2136 HydrophobicContact CD2-CB 4.49Å; Y2050-M2136 HydrophobicContact CD2-CE 3.65Å; Y2050-M2136 HydrophobicContact CD2-CG 4.28Å; Y2050-M2136 HydrophobicContact CE1-CB 3.72Å; Y2050-M2136 HydrophobicContact CE2-CB 4.1Å; Y2050-M2136 HydrophobicContact CE2-CE 4.39Å; Y2050-M2136 HydrophobicContact CE2-CG 4.11Å; Y2050-M2136 HydrophobicContact CG-CE 3.29Å; Y2050-M2136 WeakPolarHBondContact OH-CA 3.37Å; Y2050-M2136 PolarHBondContact OH-N 3.12Å; W2126-M2136 HydrophobicContact CZ2-CE 4.13Å; W2126-M2136 HydrophobicContact CZ2-SD 4.19Å; I2128-M2136 HydrophobicContact CD1-CE 3.88Å; I2128-M2136 HydrophobicContact CD1-SD 4.46Å; S2132-M2136 WeakPolarHBondContact O-CB 3.17Å; S2132-M2136 PolarHBondContact O-N 2.67Å; R2133-M2136 WeakPolarHBondContact O-CB 3.34Å; R2133-M2136 PolarHBondContact O-N 3.06Å; M2136-D2138 VanDerWaalsContact C-N 3.31Å; M2136-D2138 PolarHBondContact O-N 3.22Å; M2136-K2139 PolarHBondContact O-N 3.15Å; M2136-L2140 HydrophobicContact CG-CD1 4.09Å; M2136-L2140 WeakPolarHBondContact O-CB 3.39Å; M2136-L2140 WeakPolarHBondContact O-CD1 3.45Å; M2136-L2140 VanDerWaalsContact O-CG 3.28Å; M2136-L2140 WeakPolarHBondContact O-CG 3.42Å; M2136-L2140 PolarHBondContact O-N 3.13Å; M2136-L2190 HydrophobicContact CG-CD1 4.02Å; M2136-L2190 HydrophobicContact SD-CD1 3.63Å; M2136-L2190 HydrophobicContact SD-CD2 3.56Å; M2136-L2190 VanDerWaalsContact SD-CD2 3.56Å; M2136-L2190 HydrophobicContact SD-CG 4.28Å
2137I84.3Confident80.7Confident24 Ų2461 Ų6112%0.12334%0.34CS..Hα-helixtrans-60.6-41.1175.5-68.1165.1000110.5R2133 N2134 L2140 S2141 L2190 R2191R2133-I2137 HydrophobicContact CG-CD1 4.2Å; R2133-I2137 VanDerWaalsContact O-CG1 3.3Å; R2133-I2137 WeakPolarHBondContact O-CG1 3.38Å; R2133-I2137 PolarHBondContact O-N 2.75Å; N2134-I2137 PolarHBondContact O-N 3.49Å; I2137-L2140 PolarHBondContact O-N 3.37Å; I2137-S2141 PolarHBondContact O-N 2.89Å; I2137-L2190 HydrophobicContact CD1-CB 4.35Å; I2137-L2190 HydrophobicContact CG1-CB 4.12Å; I2137-L2190 HydrophobicContact CG1-CD1 4.32Å; I2137-R2191 HydrophobicContact CD1-CG 4.28Å
2138D84.6Confident80.8Confident63 Ų6357.4 Ų57.434%0.33732%0.316SS..Hα-helixtrans-65.6-47.9175-179.525.8000112.1N2134 A2135 M2136 L2140 S2141 R2142N2134-D2138 WeakPolarHBondContact O-CB 3.42Å; N2134-D2138 PolarHBondContact O-N 3.11Å; A2135-D2138 PolarHBondContact O-N 3.26Å; M2136-D2138 VanDerWaalsContact C-N 3.31Å; M2136-D2138 PolarHBondContact O-N 3.22Å; D2138-L2140 PolarHBondContact O-N 3.06Å; D2138-S2141 WeakPolarHBondContact O-CA 3.39Å; D2138-S2141 WeakPolarHBondContact O-CB 3.48Å; D2138-S2141 PolarHBondContact O-N 3.49Å; D2138-S2141 PolarHBondContact O-OG 3.39Å; D2138-R2142 VanDerWaalsContact CG-NE 3.28Å; D2138-R2142 WeakPolarHBondContact O-CG 3.43Å; D2138-R2142 PolarHBondContact O-N 2.91Å; D2138-R2142 IonicContact OD1-CZ 3.92Å; D2138-R2142 IonicContact OD1-NE 3.34Å; D2138-R2142 PolarHBondContact OD1-NE 3.1Å; D2138-R2142 IonicContact OD1-NH2 3.87Å; D2138-R2142 IonicContact OD2-CZ 3.31Å; D2138-R2142 VanDerWaalsContact OD2-CZ 3.25Å; D2138-R2142 IonicContact OD2-NE 3.71Å; D2138-R2142 PolarHBondContact OD2-NE 3.13Å; D2138-R2142 VanDerWaalsContact OD2-NE 3.09Å; D2138-R2142 IonicContact OD2-NH2 2.8Å; D2138-R2142 PolarHBondContact OD2-NH2 3.16Å
2139K80.6Confident81.2Confident67 Ų6759 Ų5929%0.29132%0.323SS..Hα-helixtrans-61.7-28.8176.9-163.1-174.8-178.1-172.60112.6E2048 Y2050 A2135 M2136 T2144 V2146E2048-K2139 PolarHBondContact O-NZ 2.93Å; E2048-K2139 VanDerWaalsContact O-NZ 3.11Å; Y2050-K2139 HydrophobicContact CE2-CD 3.88Å; Y2050-K2139 WeakPolarHBondContact OH-CD 3.49Å; A2135-K2139 VanDerWaalsContact O-CB 3.25Å; A2135-K2139 WeakPolarHBondContact O-CB 3.32Å; A2135-K2139 PolarHBondContact O-N 3.1Å; M2136-K2139 PolarHBondContact O-N 3.15Å; K2139-T2144 PolarHBondContact O-OG1 3.18Å; K2139-T2144 VanDerWaalsContact O-OG1 3.08Å; K2139-V2146 HydrophobicContact CD-CG2 4.09Å; K2139-V2146 HydrophobicContact CG-CG2 3.91Å
2140L77.2Confident81.4Confident2 Ų256.1 Ų56.11%0.0130%0.302CS..Hα-helixtrans-78.7-27.3171.1-73165.7000113.3M2136 I2137 D2138 I2176 R2183 I2186 Q2187 L2190M2136-L2140 HydrophobicContact CG-CD1 4.09Å; M2136-L2140 WeakPolarHBondContact O-CB 3.39Å; M2136-L2140 WeakPolarHBondContact O-CD1 3.45Å; M2136-L2140 VanDerWaalsContact O-CG 3.28Å; M2136-L2140 WeakPolarHBondContact O-CG 3.42Å; M2136-L2140 PolarHBondContact O-N 3.13Å; I2137-L2140 PolarHBondContact O-N 3.37Å; D2138-L2140 PolarHBondContact O-N 3.06Å; L2140-I2176 HydrophobicContact CD2-CD1 3.96Å; L2140-R2183 PolarHBondContact O-NH1 3.47Å; L2140-I2186 HydrophobicContact CD1-CG2 3.69Å; L2140-I2186 HydrophobicContact CD2-CG2 4.49Å; L2140-Q2187 HydrophobicContact CB-CG 4.33Å; L2140-L2190 HydrophobicContact CD1-CD1 3.32Å
2141S79.8Confident81.7Confident77 Ų7752.6 Ų52.654%0.53829%0.289SS..Hα-helixtrans-75.8-32.6174.488.20000112.2I2137 D2138I2137-S2141 PolarHBondContact O-N 2.89Å; D2138-S2141 WeakPolarHBondContact O-CA 3.39Å; D2138-S2141 WeakPolarHBondContact O-CB 3.48Å; D2138-S2141 PolarHBondContact O-N 3.49Å; D2138-S2141 PolarHBondContact O-OG 3.39Å
2142R74.8Confident82Confident144 Ų14446.6 Ų46.654%0.54326%0.257SS..SBendtrans-72.9150.3174.9-67172.2-170.2-136.89.9111.3D2138 T2144 R2183D2138-R2142 VanDerWaalsContact CG-NE 3.28Å; D2138-R2142 WeakPolarHBondContact O-CG 3.43Å; D2138-R2142 PolarHBondContact O-N 2.91Å; D2138-R2142 IonicContact OD1-CZ 3.92Å; D2138-R2142 IonicContact OD1-NE 3.34Å; D2138-R2142 PolarHBondContact OD1-NE 3.1Å; D2138-R2142 IonicContact OD1-NH2 3.87Å; D2138-R2142 IonicContact OD2-CZ 3.31Å; D2138-R2142 VanDerWaalsContact OD2-CZ 3.25Å; D2138-R2142 IonicContact OD2-NE 3.71Å; D2138-R2142 PolarHBondContact OD2-NE 3.13Å; D2138-R2142 VanDerWaalsContact OD2-NE 3.09Å; D2138-R2142 IonicContact OD2-NH2 2.8Å; D2138-R2142 PolarHBondContact OD2-NH2 3.16Å; R2142-T2144 PolarHBondContact O-N 3.16Å; R2142-R2183 PolarHBondContact O-NH1 3.08Å
2143N73.9Confident82.3Confident140 Ų14046.7 Ų46.775%0.74925%0.254SS*.SBendtrans-75.329.7-178.1-148.825.1000113.8L2178N2143-L2178 WeakPolarHBondContact OD1-CD2 3.35Å
2144T70.9Confident82.6Confident63 Ų6345.6 Ų45.639%0.38725%0.25SS..  trans-85.9141.9176.938.30000110.9K2139 R2142 R2183K2139-T2144 PolarHBondContact O-OG1 3.18Å; K2139-T2144 VanDerWaalsContact O-OG1 3.08Å; R2142-T2144 PolarHBondContact O-N 3.16Å; T2144-R2183 PolarHBondContact O-NH1 3.39Å; T2144-R2183 PolarHBondContact O-NH2 2.92Å
2145S72Confident82.4Confident93 Ų9342.1 Ų42.165%0.6523%0.232SC*.  trans-66.9128.316651.90000109.3
2146V75.9Confident82Confident1 Ų140.5 Ų40.51%0.00622%0.217CC..  trans-128.8129.9173.9179.50000106I2047 K2139 I2176I2047-V2146 HydrophobicContact CG2-CG1 3.4Å; K2139-V2146 HydrophobicContact CD-CG2 4.09Å; K2139-V2146 HydrophobicContact CG-CG2 3.91Å; V2146-I2176 HydrophobicContact CB-CD1 4.2Å; V2146-I2176 HydrophobicContact CG1-CD1 4.05Å; V2146-I2176 VanDerWaalsContact O-CB 3.24Å; V2146-I2176 WeakPolarHBondContact O-CB 3.29Å; V2146-I2176 VanDerWaalsContact O-CG1 3.26Å; V2146-I2176 WeakPolarHBondContact O-CG1 3.37Å; V2146-I2176 PolarHBondContact O-N 2.95Å
2147N84.1Confident81.2Confident32 Ų3243.4 Ų43.417%0.17124%0.235CC..EExtended strand (participates in β ladder)trans-98.3145.6179.2-57.2-58.5000110.7E2048 L2173 V2174 P2175E2048-N2147 HydrophobicContact CB-CB 4.33Å; E2048-N2147 WeakPolarHBondContact CB-O 3.41Å; E2048-N2147 PolarHBondContact N-O 3.01Å; E2048-N2147 WeakPolarHBondContact OE2-CB 3.44Å; E2048-N2147 PolarHBondContact OE2-N 3.44Å; E2048-N2147 PolarHBondContact OE2-ND2 3.26Å; N2147-L2173 HydrophobicContact CB-CB 4.5Å; N2147-L2173 HydrophobicContact CB-CD2 4.4Å; N2147-V2174 WeakPolarHBondContact CA-O 3.45Å; N2147-P2175 VanDerWaalsContact OD1-CA 3.32Å; N2147-P2175 WeakPolarHBondContact OD1-CA 3.17Å
2148F84.4Confident80.1Confident7 Ų748.3 Ų48.33%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-80.3133.8155.2-85.9-77.1000108.4S2046 I2047 L2053 L2173 V2174 I2176 I2186 I2198 I2200S2046-F2148 WeakPolarHBondContact O-CA 3.48Å; I2047-F2148 HydrophobicContact CD1-CE1 3.87Å; I2047-F2148 HydrophobicContact CD1-CZ 4.04Å; I2047-F2148 HydrophobicContact CG1-CD1 3.76Å; I2047-F2148 HydrophobicContact CG1-CE1 3.4Å; I2047-F2148 VanDerWaalsContact CG1-CE1 3.4Å; I2047-F2148 HydrophobicContact CG1-CZ 3.95Å; L2053-F2148 HydrophobicContact CD1-CE1 3.73Å; F2148-L2173 WeakPolarHBondContact O-CA 3.43Å; F2148-V2174 HydrophobicContact CB-CB 4.31Å; F2148-V2174 PolarHBondContact N-O 3.27Å; F2148-V2174 PolarHBondContact O-N 3.49Å; F2148-I2176 HydrophobicContact CD2-CD1 3.66Å; F2148-I2176 HydrophobicContact CD2-CG1 3.43Å; F2148-I2176 VanDerWaalsContact CD2-CG1 3.43Å; F2148-I2176 HydrophobicContact CE2-CD1 3.52Å; F2148-I2176 HydrophobicContact CE2-CG1 3.62Å; F2148-I2176 HydrophobicContact CG-CG1 4.47Å; F2148-I2176 HydrophobicContact CZ-CD1 4.3Å; F2148-I2186 HydrophobicContact CE2-CD1 4.13Å; F2148-I2198 HydrophobicContact CE2-CG2 4.39Å; F2148-I2198 HydrophobicContact CZ-CG2 3.9Å; F2148-I2200 HydrophobicContact CB-CD1 4.42Å; F2148-I2200 HydrophobicContact CD1-CD1 3.55Å; F2148-I2200 HydrophobicContact CD2-CD1 3.9Å; F2148-I2200 HydrophobicContact CD2-CG1 4.21Å; F2148-I2200 HydrophobicContact CD2-CG2 4.49Å; F2148-I2200 HydrophobicContact CE1-CD1 3.62Å; F2148-I2200 HydrophobicContact CE2-CD1 3.98Å; F2148-I2200 HydrophobicContact CE2-CG1 4.13Å; F2148-I2200 HydrophobicContact CG-CD1 3.71Å; F2148-I2200 HydrophobicContact CG-CG1 4.49Å; F2148-I2200 HydrophobicContact CZ-CD1 3.86Å; F2148-I2200 HydrophobicContact CZ-CG1 4.31Å
2149E88.2Confident78.8Confident60 Ų6047.7 Ų47.728%0.2825%0.25SS..EExtended strand (participates in β ladder)trans-110.5117.1173.7178.9172.8-157.300109.2I2045 S2046 S2171 L2173I2045-E2149 WeakPolarHBondContact CA-O 3.33Å; S2046-E2149 PolarHBondContact N-O 3.44Å; S2046-E2149 PolarHBondContact O-N 2.86Å; E2149-S2171 VanDerWaalsContact OE1-CB 3.28Å; E2149-S2171 WeakPolarHBondContact OE1-CB 3.41Å; E2149-S2171 PolarHBondContact OE1-OG 3.45Å; E2149-L2173 HydrophobicContact CB-CD2 4Å; E2149-L2173 HydrophobicContact CG-CD2 4.13Å
2150V88.3Confident77.6Confident0 Ų048.9 Ų48.90%026%0.264CS..EExtended strand (participates in β ladder)trans-102.8111.5168.4-178.40000107L2043 R2044 I2045 S2171 W2172L2043-V2150 HydrophobicContact CD1-CG1 3.91Å; R2044-V2150 WeakPolarHBondContact O-CA 3.31Å; I2045-V2150 HydrophobicContact CG2-CG2 4.48Å; V2150-S2171 CarbonylContact O-C 3.45Å; V2150-S2171 WeakPolarHBondContact O-CA 3.4Å; V2150-W2172 HydrophobicContact CB-CE3 4.38Å; V2150-W2172 HydrophobicContact CG1-CE3 4.16Å; V2150-W2172 PolarHBondContact N-O 3.45Å; V2150-W2172 PolarHBondContact O-N 3.04Å
2151S89Confident76.5Confident28 Ų2854.5 Ų54.520%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-112.5128.5178.276.20000111R2044R2044-S2151 WeakPolarHBondContact CB-OG 3.05Å; R2044-S2151 PolarHBondContact N-O 3.46Å; R2044-S2151 PolarHBondContact O-N 3.49Å
2152L90.7Very high75.4Confident1 Ų155.4 Ų55.41%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-118.7129.2174.4-174.871.9000109.6V2041 L2043 F2118 F2154 S2169 K2170 W2172 I2208 L2216 V2298V2041-L2152 HydrophobicContact CG1-CD1 3.79Å; V2041-L2152 HydrophobicContact CG1-CG 4.45Å; L2043-L2152 HydrophobicContact CB-CD1 4.14Å; L2043-L2152 HydrophobicContact CD1-CD1 4.2Å; F2118-L2152 HydrophobicContact CE2-CD1 4.25Å; F2118-L2152 HydrophobicContact CZ-CD1 3.65Å; L2152-F2154 HydrophobicContact CD2-CD2 4.32Å; L2152-F2154 HydrophobicContact CD2-CE2 3.6Å; L2152-F2154 HydrophobicContact CD2-CZ 4.41Å; L2152-F2154 HydrophobicContact CG-CD2 4.34Å; L2152-F2154 HydrophobicContact CG-CE2 4.04Å; L2152-S2169 CarbonylContact O-C 3.56Å; L2152-S2169 WeakPolarHBondContact O-CA 3.42Å; L2152-K2170 PolarHBondContact N-O 3.29Å; L2152-K2170 PolarHBondContact O-N 3.16Å; L2152-W2172 HydrophobicContact CB-CH2 4.05Å; L2152-W2172 HydrophobicContact CB-CZ3 3.72Å; L2152-W2172 HydrophobicContact CD2-CH2 4.23Å; L2152-W2172 HydrophobicContact CD2-CZ3 4.49Å; L2152-I2208 HydrophobicContact CD2-CD1 3.15Å; L2152-L2216 HydrophobicContact CB-CD1 4.39Å; L2152-L2216 HydrophobicContact CD2-CD1 4.23Å; L2152-L2216 HydrophobicContact CG-CD1 4.31Å; L2152-L2216 WeakPolarHBondContact O-CD1 3.25Å; L2152-V2298 HydrophobicContact CD2-CG1 4.44Å
2153E90.3Very high74.4Confident31 Ų3154.5 Ų54.515%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-128.4116.3179.7172.9-175.3167.100109.7V2041 T2042 T2155 K2167V2041-E2153 WeakPolarHBondContact CA-O 3.18Å; T2042-E2153 PolarHBondContact N-O 3.34Å; T2042-E2153 PolarHBondContact O-N 3.46Å; T2042-E2153 WeakPolarHBondContact OG1-CB 3.3Å; T2042-E2153 PolarHBondContact OG1-O 2.9Å; E2153-T2155 HydrophobicContact CG-CG2 4.22Å; E2153-K2167 WeakPolarHBondContact OE1-CD 3.35Å; E2153-K2167 WeakPolarHBondContact OE1-CG 3.28Å; E2153-K2167 IonicContact OE1-NZ 2.73Å; E2153-K2167 PolarHBondContact OE1-NZ 3.16Å
2154F88.5Confident73.3Confident1 Ų150.4 Ų50.40%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-91.3129.6167.3-73.7-102.7000108.9P2038 V2041 L2114 V2116 L2152 H2168 I2208 V2210 L2216P2038-F2154 HydrophobicContact CB-CD1 4.17Å; P2038-F2154 HydrophobicContact CG-CD1 4.04Å; V2041-F2154 HydrophobicContact CB-CD1 4.38Å; V2041-F2154 HydrophobicContact CG1-CD1 3.96Å; V2041-F2154 HydrophobicContact CG1-CD2 4.13Å; V2041-F2154 HydrophobicContact CG1-CE1 3.97Å; V2041-F2154 HydrophobicContact CG1-CE2 4.17Å; V2041-F2154 HydrophobicContact CG1-CG 4.05Å; V2041-F2154 HydrophobicContact CG1-CZ 4.08Å; V2041-F2154 HydrophobicContact CG2-CD1 3.48Å; V2041-F2154 VanDerWaalsContact CG2-CD1 3.48Å; V2041-F2154 HydrophobicContact CG2-CE1 3.7Å; V2041-F2154 HydrophobicContact CG2-CG 4.21Å; L2114-F2154 HydrophobicContact CD2-CE1 4.49Å; V2116-F2154 HydrophobicContact CG2-CE1 4.03Å; V2116-F2154 HydrophobicContact CG2-CZ 4.33Å; L2152-F2154 HydrophobicContact CD2-CD2 4.32Å; L2152-F2154 HydrophobicContact CD2-CE2 3.6Å; L2152-F2154 HydrophobicContact CD2-CZ 4.41Å; L2152-F2154 HydrophobicContact CG-CD2 4.34Å; L2152-F2154 HydrophobicContact CG-CE2 4.04Å; F2154-H2168 HydrophobicContact CB-CB 4.42Å; F2154-H2168 PolarHBondContact N-O 3.15Å; F2154-H2168 PolarHBondContact O-N 2.98Å; F2154-I2208 HydrophobicContact CE2-CG2 4.44Å; F2154-V2210 HydrophobicContact CB-CG1 4.45Å; F2154-V2210 HydrophobicContact CD1-CG2 4.01Å; F2154-V2210 HydrophobicContact CD2-CG2 4.18Å; F2154-V2210 HydrophobicContact CE1-CG2 4.05Å; F2154-V2210 HydrophobicContact CE2-CG2 4.18Å; F2154-V2210 HydrophobicContact CG-CG2 4.08Å; F2154-V2210 HydrophobicContact CZ-CG2 4.13Å; F2154-L2216 HydrophobicContact CB-CD2 4.46Å; F2154-L2216 HydrophobicContact CD2-CD1 3.73Å; F2154-L2216 HydrophobicContact CD2-CD2 3.51Å; F2154-L2216 HydrophobicContact CD2-CG 4.26Å; F2154-L2216 HydrophobicContact CE2-CD1 4.06Å; F2154-L2216 HydrophobicContact CE2-CD2 4.04Å; F2154-L2216 HydrophobicContact CG-CD2 4.26Å
2155T84.5Confident72.7Confident7 Ų748.8 Ų48.84%0.04328%0.275CS..EExtended strand (participates in β ladder)trans-106.7118172.965.90000109.4P2038 E2039 K2040 E2153 K2167P2038-T2155 CarbonylContact C-O 3.57Å; P2038-T2155 WeakPolarHBondContact CA-O 3.3Å; P2038-T2155 VanDerWaalsContact CB-O 3.27Å; P2038-T2155 WeakPolarHBondContact CB-O 3.26Å; E2039-T2155 PolarHBondContact N-O 2.98Å; K2040-T2155 HydrophobicContact CG-CG2 4.22Å; K2040-T2155 WeakPolarHBondContact CG-OG1 3.4Å; K2040-T2155 PolarHBondContact N-OG1 2.74Å; K2040-T2155 PolarHBondContact O-N 2.96Å; K2040-T2155 PolarHBondContact O-OG1 2.82Å; E2153-T2155 HydrophobicContact CG-CG2 4.22Å; T2155-K2167 HydrophobicContact CG2-CG 4.27Å
2156R75Confident72.4Confident9 Ų946.5 Ų46.53%0.03426%0.255CS..  trans-81.5146.9169.2-68.8-176.3-171.9-131.93109.5S2036 L2166 H2168 V2210 P2211 D2303S2036-R2156 PolarHBondContact OG-NH1 3.21Å; R2156-L2166 HydrophobicContact CB-CB 3.97Å; R2156-L2166 PolarHBondContact N-O 3.04Å; R2156-H2168 WeakPolarHBondContact CD-NE2 3.34Å; R2156-H2168 PolarHBondContact NE-NE2 3.48Å; R2156-V2210 PolarHBondContact NH2-O 2.86Å; R2156-P2211 PolarHBondContact NH2-O 3.27Å; R2156-D2303 PolarHBondContact NH1-O 3.48Å; R2156-D2303 PolarHBondContact NH2-O 3.14Å
2157P68.4Low72.3Confident61 Ų6152.7 Ų52.740%0.39628%0.282SS..  trans-54.8147.618020.8-34.2000111.5M2037 D2159M2037-P2157 WeakPolarHBondContact O-CD 3.44Å; M2037-P2157 WeakPolarHBondContact O-CG 3.49Å; P2157-D2159 PolarHBondContact O-N 3.48Å
2158Y60.7Low72.4Confident128 Ų12851.4 Ų51.450%0.50228%0.275SS..  trans-57.2113.2-173.5-174.7-100.3000112.7P2160 N2163Y2158-P2160 HydrophobicContact CD1-CB 4.42Å; Y2158-P2160 HydrophobicContact CE1-CB 4.19Å; Y2158-P2160 WeakPolarHBondContact O-CD 3.33Å; Y2158-N2163 PolarHBondContact OH-OD1 2.91Å
2159D57.1Low72.5Confident50 Ų5054 Ų5427%0.26729%0.294SS..  trans-77.8114164.4-173.6-24.3000108P2157 N2161 E2162P2157-D2159 PolarHBondContact O-N 3.48Å; D2159-N2161 PolarHBondContact O-N 2.89Å; D2159-N2161 WeakPolarHBondContact OD1-CB 3.49Å; D2159-N2161 PolarHBondContact OD1-N 3.07Å; D2159-N2161 PolarHBondContact OD1-ND2 2.92Å; D2159-E2162 PolarHBondContact O-N 3.16Å
2160P56.9Low72.5Confident91 Ų9154.6 Ų54.659%0.59130%0.296SS*.THydrogen-bonded Turntrans-64.6-5.1-177.728.5-36.5000114.1Y2158Y2158-P2160 HydrophobicContact CD1-CB 4.42Å; Y2158-P2160 HydrophobicContact CE1-CB 4.19Å; Y2158-P2160 WeakPolarHBondContact O-CD 3.33Å
2161N52.8Low72.4Confident120 Ų12057.3 Ų57.364%0.64232%0.315SS*.THydrogen-bonded Turntrans-95.6-20.5178.2-54.8-76.7000114.1D2159D2159-N2161 PolarHBondContact O-N 2.89Å; D2159-N2161 WeakPolarHBondContact OD1-CB 3.49Å; D2159-N2161 PolarHBondContact OD1-N 3.07Å; D2159-N2161 PolarHBondContact OD1-ND2 2.92Å
2162E57Low72.3Confident97 Ų9757.2 Ų57.245%0.45331%0.31SS..THydrogen-bonded Turntrans-106.8-1.8-179.7-64.3-161.4160.800113.3D2159 A2164D2159-E2162 PolarHBondContact O-N 3.16Å; E2162-A2164 PolarHBondContact O-N 2.89Å
2163N54Low72Confident124 Ų12461 Ų6166%0.66333%0.33SS*.SBendtrans56.811.1177-71.8-28.8000115.9Y2158Y2158-N2163 PolarHBondContact OH-OD1 2.91Å
2164A51.3Low71.5Confident54 Ų5460.5 Ų60.545%0.44633%0.329SS..SBendtrans-138138.6176.800000109.3E2162 L2166E2162-A2164 PolarHBondContact O-N 2.89Å; A2164-L2166 PolarHBondContact O-N 3.44Å
2165A57Low71.1Confident30 Ų3064.5 Ų64.525%0.24836%0.355CS..  trans-60.6132.6161.800000108.3K2167A2165-K2167 PolarHBondContact O-N 3.07Å
2166L66.9Low70.6Confident44 Ų4464.8 Ų64.823%0.2336%0.356CS..  trans-68.599.7176.1-99.979.3000108.7R2156 A2164R2156-L2166 HydrophobicContact CB-CB 3.97Å; R2156-L2166 PolarHBondContact N-O 3.04Å; A2164-L2166 PolarHBondContact O-N 3.44Å
2167K74.1Confident70.5Confident132 Ų13266.7 Ų66.757%0.57437%0.371SS*.EExtended strand (participates in β ladder)trans-87.6115.1176.9-71.9167.9169.2-91.10109.3E2153 T2155 A2165E2153-K2167 WeakPolarHBondContact OE1-CD 3.35Å; E2153-K2167 WeakPolarHBondContact OE1-CG 3.28Å; E2153-K2167 IonicContact OE1-NZ 2.73Å; E2153-K2167 PolarHBondContact OE1-NZ 3.16Å; T2155-K2167 HydrophobicContact CG2-CG 4.27Å; A2165-K2167 PolarHBondContact O-N 3.07Å
2168H84.6Confident70.5Confident4 Ų469.2 Ų69.22%0.01938%0.38CS..EExtended strand (participates in β ladder)trans-106.297.7172-57-86000108.2F2154 R2156 V2210 P2211 G2214 L2216F2154-H2168 HydrophobicContact CB-CB 4.42Å; F2154-H2168 PolarHBondContact N-O 3.15Å; F2154-H2168 PolarHBondContact O-N 2.98Å; R2156-H2168 WeakPolarHBondContact CD-NE2 3.34Å; R2156-H2168 PolarHBondContact NE-NE2 3.48Å; H2168-V2210 HydrophobicContact CB-CG1 4.14Å; H2168-P2211 PolarHBondContact CE1-O 2.97Å; H2168-G2214 PolarHBondContact ND1-O 2.98Å; H2168-L2216 HydrophobicContact CB-CD2 3.63Å; H2168-L2216 HydrophobicContact CB-CG 4.17Å; H2168-L2216 WeakPolarHBondContact O-CD1 3.39Å; H2168-L2216 WeakPolarHBondContact O-CG 3.36Å
2169S86.6Confident70.9Confident62 Ų6266.9 Ų66.943%0.43438%0.377SS..EExtended strand (participates in β ladder)trans-108.9147-178.4560000112.1L2152L2152-S2169 CarbonylContact O-C 3.56Å; L2152-S2169 WeakPolarHBondContact O-CA 3.42Å
2170K88.4Confident71.6Confident73 Ų7372.1 Ų72.132%0.31740%0.401SS..EExtended strand (participates in β ladder)trans-144.6134.7164.8-166.564172.3174.20110L2152 W2172 E2215 L2216L2152-K2170 PolarHBondContact N-O 3.29Å; L2152-K2170 PolarHBondContact O-N 3.16Å; K2170-W2172 HydrophobicContact CB-CH2 4.32Å; K2170-W2172 HydrophobicContact CB-CZ2 4.15Å; K2170-W2172 HydrophobicContact CG-CZ2 3.98Å; K2170-E2215 HydrophobicContact CD-CB 4.44Å; K2170-E2215 IonicContact NZ-OE2 2.97Å; K2170-E2215 PolarHBondContact NZ-OE2 2.84Å; K2170-L2216 HydrophobicContact CB-CB 3.95Å; K2170-L2216 HydrophobicContact CB-CD1 4.07Å; K2170-L2216 HydrophobicContact CB-CG 4.35Å
2171S86.6Confident72.3Confident57 Ų5771.8 Ų71.840%0.39940%0.398SS..EExtended strand (participates in β ladder)trans-108.8139.4168.754.10000111.3E2149 V2150E2149-S2171 VanDerWaalsContact OE1-CB 3.28Å; E2149-S2171 WeakPolarHBondContact OE1-CB 3.41Å; E2149-S2171 PolarHBondContact OE1-OG 3.45Å; V2150-S2171 CarbonylContact O-C 3.45Å; V2150-S2171 WeakPolarHBondContact O-CA 3.4Å
2172W86.6Confident73.2Confident25 Ų2569.3 Ų69.310%0.09538%0.384CS..EExtended strand (participates in β ladder)trans-110.7119.9173.1-60.3-81.4000108.7V2150 L2152 K2170 P2205 I2208V2150-W2172 HydrophobicContact CB-CE3 4.38Å; V2150-W2172 HydrophobicContact CG1-CE3 4.16Å; V2150-W2172 PolarHBondContact N-O 3.45Å; V2150-W2172 PolarHBondContact O-N 3.04Å; L2152-W2172 HydrophobicContact CB-CH2 4.05Å; L2152-W2172 HydrophobicContact CB-CZ3 3.72Å; L2152-W2172 HydrophobicContact CD2-CH2 4.23Å; L2152-W2172 HydrophobicContact CD2-CZ3 4.49Å; K2170-W2172 HydrophobicContact CB-CH2 4.32Å; K2170-W2172 HydrophobicContact CB-CZ2 4.15Å; K2170-W2172 HydrophobicContact CG-CZ2 3.98Å; W2172-P2205 HydrophobicContact CH2-CG 3.68Å; W2172-P2205 HydrophobicContact CZ2-CG 3.52Å; W2172-P2205 HydrophobicContact CZ3-CG 4.28Å; W2172-I2208 HydrophobicContact CH2-CD1 4.04Å
2173L85.8Confident74.1Confident80 Ų8065.2 Ų65.242%0.41936%0.364SS..EExtended strand (participates in β ladder)trans-93.3115.9175.8-61.9172.8000109.2N2147 F2148 E2149 R2246N2147-L2173 HydrophobicContact CB-CB 4.5Å; N2147-L2173 HydrophobicContact CB-CD2 4.4Å; F2148-L2173 WeakPolarHBondContact O-CA 3.43Å; E2149-L2173 HydrophobicContact CB-CD2 4Å; E2149-L2173 HydrophobicContact CG-CD2 4.13Å; L2173-R2246 PolarHBondContact O-NH2 3.28Å
2174V79.8Confident75.3Confident22 Ų2261.6 Ų61.613%0.13335%0.351CS..EExtended strand (participates in β ladder)trans-108.7112.4178.4-1780000108.5N2147 F2148 I2176 I2200N2147-V2174 WeakPolarHBondContact CA-O 3.45Å; F2148-V2174 HydrophobicContact CB-CB 4.31Å; F2148-V2174 PolarHBondContact N-O 3.27Å; F2148-V2174 PolarHBondContact O-N 3.49Å; V2174-I2176 PolarHBondContact O-N 3.49Å; V2174-I2200 HydrophobicContact CG1-CG2 4.02Å
2175P79Confident76.5Confident84 Ų8464.9 Ų64.955%0.54536%0.356SS..EExtended strand (participates in β ladder)trans-70.9127.8-177.227.5-33.3000111.6N2147 S2177N2147-P2175 VanDerWaalsContact OD1-CA 3.32Å; N2147-P2175 WeakPolarHBondContact OD1-CA 3.17Å; P2175-S2177 PolarHBondContact O-N 3.47Å
2176I75.2Confident77.5Confident14 Ų1463.8 Ų63.87%0.07235%0.346CS..PPolyproline II helixtrans-70.8119.4170.7-59.3171.5000107.9L2140 V2146 F2148 V2174 R2183 I2186L2140-I2176 HydrophobicContact CD2-CD1 3.96Å; V2146-I2176 HydrophobicContact CB-CD1 4.2Å; V2146-I2176 HydrophobicContact CG1-CD1 4.05Å; V2146-I2176 VanDerWaalsContact O-CB 3.24Å; V2146-I2176 WeakPolarHBondContact O-CB 3.29Å; V2146-I2176 VanDerWaalsContact O-CG1 3.26Å; V2146-I2176 WeakPolarHBondContact O-CG1 3.37Å; V2146-I2176 PolarHBondContact O-N 2.95Å; F2148-I2176 HydrophobicContact CD2-CD1 3.66Å; F2148-I2176 HydrophobicContact CD2-CG1 3.43Å; F2148-I2176 VanDerWaalsContact CD2-CG1 3.43Å; F2148-I2176 HydrophobicContact CE2-CD1 3.52Å; F2148-I2176 HydrophobicContact CE2-CG1 3.62Å; F2148-I2176 HydrophobicContact CG-CG1 4.47Å; F2148-I2176 HydrophobicContact CZ-CD1 4.3Å; V2174-I2176 PolarHBondContact O-N 3.49Å; I2176-R2183 HydrophobicContact CG2-CG 4.25Å; I2176-I2186 HydrophobicContact CD1-CD1 4.41Å; I2176-I2186 HydrophobicContact CG2-CD1 3.86Å
2177S71.5Confident78.2Confident49 Ų4963.5 Ų63.534%0.34334%0.343SS..PPolyproline II helixtrans-53150.118063.20000111.8P2175 D2179 I2182 R2183P2175-S2177 PolarHBondContact O-N 3.47Å; S2177-D2179 PolarHBondContact O-N 3.37Å; S2177-D2179 VanDerWaalsContact O-N 3.1Å; S2177-I2182 WeakPolarHBondContact OG-CD1 3.35Å; S2177-R2183 PolarHBondContact O-NE 3.28Å
2178L68.1Low78.6Confident114 Ų11458 Ų5860%0.59732%0.321SS*.SBendtrans-71.44.5173-67.9161.5000112.3N2143 M2180N2143-L2178 WeakPolarHBondContact OD1-CD2 3.35Å; L2178-M2180 PolarHBondContact O-N 3.27Å
2179D69.5Low78.4Confident79 Ų7957.9 Ų57.942%0.42232%0.321SS..  trans-71.6116.9-176.8-162.7-28.1000110.5S2177 T2181 I2182 R2183S2177-D2179 PolarHBondContact O-N 3.37Å; S2177-D2179 VanDerWaalsContact O-N 3.1Å; D2179-T2181 VanDerWaalsContact CG-OG1 3.26Å; D2179-T2181 PolarHBondContact O-N 2.94Å; D2179-T2181 VanDerWaalsContact O-N 3.13Å; D2179-T2181 PolarHBondContact OD1-N 3.1Å; D2179-T2181 PolarHBondContact OD1-OG1 2.97Å; D2179-I2182 HydrophobicContact CB-CD1 4.29Å; D2179-I2182 PolarHBondContact O-N 2.71Å; D2179-R2183 PolarHBondContact O-N 3.48Å; D2179-R2183 VanDerWaalsContact O-N 3.1Å
2180M71.5Confident78.2Confident160 Ų16055 Ų5579%0.78830%0.3SS*.Hα-helixtrans-60.2-26.5-175.6-160.9176.1-70.500111.7L2178 A2184L2178-M2180 PolarHBondContact O-N 3.27Å; M2180-A2184 WeakPolarHBondContact O-CB 3.45Å; M2180-A2184 PolarHBondContact O-N 3.12Å
2181T73Confident77.7Confident84 Ų8458.7 Ų58.752%0.51531%0.312SS..Hα-helixtrans-71.7-41.6179.163.40000113.2D2179 K2185D2179-T2181 VanDerWaalsContact CG-OG1 3.26Å; D2179-T2181 PolarHBondContact O-N 2.94Å; D2179-T2181 VanDerWaalsContact O-N 3.13Å; D2179-T2181 PolarHBondContact OD1-N 3.1Å; D2179-T2181 PolarHBondContact OD1-OG1 2.97Å; T2181-K2185 WeakPolarHBondContact O-CG 3.49Å; T2181-K2185 PolarHBondContact O-N 3.48Å
2182I70.7Confident77Confident68 Ų6856.8 Ų56.835%0.34930%0.302SS..Hα-helixtrans-74.1-42.6178.5-68.3167.2000109.4S2177 D2179 A2184 K2185 I2186S2177-I2182 WeakPolarHBondContact OG-CD1 3.35Å; D2179-I2182 HydrophobicContact CB-CD1 4.29Å; D2179-I2182 PolarHBondContact O-N 2.71Å; I2182-A2184 VanDerWaalsContact C-N 3.33Å; I2182-A2184 PolarHBondContact O-N 2.83Å; I2182-K2185 PolarHBondContact O-N 3.07Å; I2182-I2186 HydrophobicContact CG2-CD1 4.04Å; I2182-I2186 WeakPolarHBondContact O-CG1 3.36Å; I2182-I2186 PolarHBondContact O-N 3.49Å
2183R76.4Confident76.3Confident11 Ų1159.3 Ų59.34%0.04232%0.318CS..Hα-helixtrans-60.5-40.6174.1-70.1176171.5-126.3-1.6112.2L2140 R2142 T2144 I2176 S2177 D2179 I2186 Q2187L2140-R2183 PolarHBondContact O-NH1 3.47Å; R2142-R2183 PolarHBondContact O-NH1 3.08Å; T2144-R2183 PolarHBondContact O-NH1 3.39Å; T2144-R2183 PolarHBondContact O-NH2 2.92Å; I2176-R2183 HydrophobicContact CG2-CG 4.25Å; S2177-R2183 PolarHBondContact O-NE 3.28Å; D2179-R2183 PolarHBondContact O-N 3.48Å; D2179-R2183 VanDerWaalsContact O-N 3.1Å; R2183-I2186 PolarHBondContact O-N 3.36Å; R2183-Q2187 WeakPolarHBondContact O-CB 3.34Å; R2183-Q2187 WeakPolarHBondContact O-CG 3.26Å; R2183-Q2187 PolarHBondContact O-N 2.89Å
2184A78Confident75.5Confident47 Ų4761.6 Ų61.639%0.38834%0.337SS..Hα-helixtrans-62.9-39.8174.400000112.8M2180 I2182 Q2187 S2188M2180-A2184 WeakPolarHBondContact O-CB 3.45Å; M2180-A2184 PolarHBondContact O-N 3.12Å; I2182-A2184 VanDerWaalsContact C-N 3.33Å; I2182-A2184 PolarHBondContact O-N 2.83Å; A2184-Q2187 PolarHBondContact O-N 3.06Å; A2184-S2188 PolarHBondContact O-N 3.45Å; A2184-S2188 PolarHBondContact O-OG 3.05Å
2185K77.2Confident74.9Confident124 Ų12463.9 Ų63.954%0.53937%0.365SS..Hα-helixtrans-65.4-40.8174.4-72.7174.4179-179.60112.7T2181 I2182 Q2187 S2188 A2189T2181-K2185 WeakPolarHBondContact O-CG 3.49Å; T2181-K2185 PolarHBondContact O-N 3.48Å; I2182-K2185 PolarHBondContact O-N 3.07Å; K2185-Q2187 VanDerWaalsContact C-N 3.32Å; K2185-S2188 PolarHBondContact O-N 2.77Å; K2185-S2188 PolarHBondContact O-OG 2.86Å; K2185-S2188 VanDerWaalsContact O-OG 3.11Å; K2185-A2189 WeakPolarHBondContact O-CB 3.39Å; K2185-A2189 PolarHBondContact O-N 2.77Å
2186I79.3Confident74.8Confident7 Ų763.9 Ų63.94%0.03636%0.358CS..Hα-helixtrans-64.6-40.8173.5-63166.8000109.7L2140 F2148 I2176 I2182 R2183 A2189 L2190 I2198L2140-I2186 HydrophobicContact CD1-CG2 3.69Å; L2140-I2186 HydrophobicContact CD2-CG2 4.49Å; F2148-I2186 HydrophobicContact CE2-CD1 4.13Å; I2176-I2186 HydrophobicContact CD1-CD1 4.41Å; I2176-I2186 HydrophobicContact CG2-CD1 3.86Å; I2182-I2186 HydrophobicContact CG2-CD1 4.04Å; I2182-I2186 WeakPolarHBondContact O-CG1 3.36Å; I2182-I2186 PolarHBondContact O-N 3.49Å; R2183-I2186 PolarHBondContact O-N 3.36Å; I2186-A2189 PolarHBondContact O-N 3.09Å; I2186-L2190 HydrophobicContact CG2-CD1 3.77Å; I2186-L2190 HydrophobicContact CG2-CG 4.22Å; I2186-L2190 VanDerWaalsContact O-CB 3.32Å; I2186-L2190 WeakPolarHBondContact O-CB 3.22Å; I2186-L2190 WeakPolarHBondContact O-CG 3.45Å; I2186-L2190 PolarHBondContact O-N 3.5Å; I2186-I2198 HydrophobicContact CG1-CG1 4.44Å; I2186-I2198 HydrophobicContact CG1-CG2 4.18Å; I2186-I2198 HydrophobicContact CG2-CD1 4.25Å
2187Q81.2Confident74.9Confident37 Ų3766.2 Ų66.217%0.17337%0.374CS..Hα-helixtrans-63.9-41.4176.5-72.616816.600113.1L2140 R2183 A2184 K2185 L2190 R2191L2140-Q2187 HydrophobicContact CB-CG 4.33Å; R2183-Q2187 WeakPolarHBondContact O-CB 3.34Å; R2183-Q2187 WeakPolarHBondContact O-CG 3.26Å; R2183-Q2187 PolarHBondContact O-N 2.89Å; A2184-Q2187 PolarHBondContact O-N 3.06Å; K2185-Q2187 VanDerWaalsContact C-N 3.32Å; Q2187-L2190 PolarHBondContact O-N 3Å; Q2187-R2191 WeakPolarHBondContact O-CB 3.49Å; Q2187-R2191 VanDerWaalsContact O-CG 3.27Å; Q2187-R2191 WeakPolarHBondContact O-CG 3.43Å; Q2187-R2191 PolarHBondContact O-N 2.9Å
2188S82.4Confident75.3Confident16 Ų1664 Ų6411%0.11236%0.358CS..Hα-helixtrans-70.1-39.9176.359.30000112.2A2184 K2185 L2190 R2191 G2192 D2193 H2196A2184-S2188 PolarHBondContact O-N 3.45Å; A2184-S2188 PolarHBondContact O-OG 3.05Å; K2185-S2188 PolarHBondContact O-N 2.77Å; K2185-S2188 PolarHBondContact O-OG 2.86Å; K2185-S2188 VanDerWaalsContact O-OG 3.11Å; S2188-L2190 PolarHBondContact O-N 2.72Å; S2188-R2191 PolarHBondContact O-N 3.38Å; S2188-G2192 PolarHBondContact O-N 3.31Å; S2188-D2193 WeakPolarHBondContact CB-OD2 3.11Å; S2188-D2193 PolarHBondContact O-N 3.44Å; S2188-D2193 VanDerWaalsContact O-N 3.15Å; S2188-H2196 PolarHBondContact OG-CD2 2.8Å; S2188-H2196 VanDerWaalsContact OG-CD2 3.29Å; S2188-H2196 VanDerWaalsContact OG-CG 3.22Å
2189A80.7Confident76Confident3 Ų363.4 Ų63.43%0.02536%0.355CS..Hα-helixtrans-57.2-47.2170.400000111.8K2185 I2186 R2191 G2192 H2196 I2198 L2256K2185-A2189 WeakPolarHBondContact O-CB 3.39Å; K2185-A2189 PolarHBondContact O-N 2.77Å; I2186-A2189 PolarHBondContact O-N 3.09Å; A2189-R2191 VanDerWaalsContact C-N 3.31Å; A2189-R2191 PolarHBondContact O-N 3.43Å; A2189-G2192 PolarHBondContact O-N 2.95Å; A2189-G2192 VanDerWaalsContact O-N 3.09Å; A2189-H2196 HydrophobicContact CB-CB 4.46Å; A2189-H2196 VanDerWaalsContact CB-O 3.26Å; A2189-H2196 WeakPolarHBondContact CB-O 3.06Å; A2189-I2198 HydrophobicContact CB-CD1 3.98Å; A2189-I2198 HydrophobicContact CB-CG1 3.57Å; A2189-L2256 WeakPolarHBondContact O-CD2 3.38Å
2190L80.6Confident76.4Confident0 Ų059.9 Ų59.90%034%0.336CS..Hα-helixtrans-67.6-26.3177.1-70.9171.4000113.5W2126 R2133 M2136 I2137 L2140 I2186 Q2187 S2188 G2192 W2267W2126-L2190 HydrophobicContact CH2-CD2 3.54Å; W2126-L2190 HydrophobicContact CZ2-CD2 4.03Å; W2126-L2190 HydrophobicContact CZ3-CD2 4.44Å; R2133-L2190 VanDerWaalsContact CZ-O 3.25Å; R2133-L2190 PolarHBondContact NE-O 2.64Å; R2133-L2190 PolarHBondContact NH2-O 3.25Å; M2136-L2190 HydrophobicContact CG-CD1 4.02Å; M2136-L2190 HydrophobicContact SD-CD1 3.63Å; M2136-L2190 HydrophobicContact SD-CD2 3.56Å; M2136-L2190 VanDerWaalsContact SD-CD2 3.56Å; M2136-L2190 HydrophobicContact SD-CG 4.28Å; I2137-L2190 HydrophobicContact CD1-CB 4.35Å; I2137-L2190 HydrophobicContact CG1-CB 4.12Å; I2137-L2190 HydrophobicContact CG1-CD1 4.32Å; L2140-L2190 HydrophobicContact CD1-CD1 3.32Å; I2186-L2190 HydrophobicContact CG2-CD1 3.77Å; I2186-L2190 HydrophobicContact CG2-CG 4.22Å; I2186-L2190 VanDerWaalsContact O-CB 3.32Å; I2186-L2190 WeakPolarHBondContact O-CB 3.22Å; I2186-L2190 WeakPolarHBondContact O-CG 3.45Å; I2186-L2190 PolarHBondContact O-N 3.5Å; Q2187-L2190 PolarHBondContact O-N 3Å; S2188-L2190 PolarHBondContact O-N 2.72Å; L2190-G2192 VanDerWaalsContact C-N 3.33Å; L2190-W2267 HydrophobicContact CD2-CH2 4.23Å; L2190-W2267 HydrophobicContact CD2-CZ2 3.99Å
2191R79.7Confident76.7Confident151 Ų15155.7 Ų55.757%0.5732%0.321SS*.Hα-helixtrans-74.1-25171.2-77.3172.7-178-174.42.4112.5R2133 I2137 Q2187 S2188 A2189R2133-R2191 PolarHBondContact NH2-O 3.1Å; I2137-R2191 HydrophobicContact CD1-CG 4.28Å; Q2187-R2191 WeakPolarHBondContact O-CB 3.49Å; Q2187-R2191 VanDerWaalsContact O-CG 3.27Å; Q2187-R2191 WeakPolarHBondContact O-CG 3.43Å; Q2187-R2191 PolarHBondContact O-N 2.9Å; S2188-R2191 PolarHBondContact O-N 3.38Å; A2189-R2191 VanDerWaalsContact C-N 3.31Å; A2189-R2191 PolarHBondContact O-N 3.43Å
2192G70.4Confident76.9Confident18 Ų1854 Ų5419%0.18631%0.307CS..THydrogen-bonded Turntrans92.725.7179.300000113.5S2188 A2189 L2190 P2194S2188-G2192 PolarHBondContact O-N 3.31Å; A2189-G2192 PolarHBondContact O-N 2.95Å; A2189-G2192 VanDerWaalsContact O-N 3.09Å; L2190-G2192 VanDerWaalsContact C-N 3.33Å; G2192-P2194 WeakPolarHBondContact O-CD 3.47Å
2193D72.8Confident77.3Confident78 Ų7850.8 Ų50.842%0.41729%0.29SS..  trans-70.3116.5173.8-66.8-42.1000109.6S2188 G2195S2188-D2193 WeakPolarHBondContact CB-OD2 3.11Å; S2188-D2193 PolarHBondContact O-N 3.44Å; S2188-D2193 VanDerWaalsContact O-N 3.15Å; D2193-G2195 PolarHBondContact O-N 3.2Å
2194P67.8Low77.7Confident128 Ų12850.3 Ų50.383%0.83129%0.289SS*.THydrogen-bonded Turntrans-61.5133.7-177.925-33.5000111G2192G2192-P2194 WeakPolarHBondContact O-CD 3.47Å
2195G68.6Low78.1Confident70 Ų7048 Ų4872%0.72227%0.27SS*.THydrogen-bonded Turntrans103.45.4178.600000116.5D2193 P2197D2193-G2195 PolarHBondContact O-N 3.2Å; G2195-P2197 VanDerWaalsContact O-CD 3.31Å; G2195-P2197 WeakPolarHBondContact O-CD 3.2Å
2196H76Confident78.2Confident83 Ų8342.4 Ų42.438%0.38425%0.247SC..  trans-113.489.6178.9-65.492.2000112.8S2188 A2189S2188-H2196 PolarHBondContact OG-CD2 2.8Å; S2188-H2196 VanDerWaalsContact OG-CD2 3.29Å; S2188-H2196 VanDerWaalsContact OG-CG 3.22Å; A2189-H2196 HydrophobicContact CB-CB 4.46Å; A2189-H2196 VanDerWaalsContact CB-O 3.26Å; A2189-H2196 WeakPolarHBondContact CB-O 3.06Å
2197P77.1Confident78.6Confident63 Ų6342.2 Ų42.241%0.40925%0.246SC..  trans-71144171.927.8-34000112.1G2195 N2255G2195-P2197 VanDerWaalsContact O-CD 3.31Å; G2195-P2197 WeakPolarHBondContact O-CD 3.2Å; P2197-N2255 WeakPolarHBondContact CA-OD1 3.43Å; P2197-N2255 WeakPolarHBondContact CB-OD1 3.38Å
2198I80.8Confident79.1Confident2 Ų240.5 Ų40.51%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-86.1111.2166.2-58.6176000108.1F2148 I2186 A2189 I2200 T2253 L2254 W2267F2148-I2198 HydrophobicContact CE2-CG2 4.39Å; F2148-I2198 HydrophobicContact CZ-CG2 3.9Å; I2186-I2198 HydrophobicContact CG1-CG1 4.44Å; I2186-I2198 HydrophobicContact CG1-CG2 4.18Å; I2186-I2198 HydrophobicContact CG2-CD1 4.25Å; A2189-I2198 HydrophobicContact CB-CD1 3.98Å; A2189-I2198 HydrophobicContact CB-CG1 3.57Å; I2198-I2200 HydrophobicContact CG2-CD1 4.43Å; I2198-I2200 HydrophobicContact CG2-CG1 3.96Å; I2198-T2253 CarbonylContact O-C 3.57Å; I2198-T2253 WeakPolarHBondContact O-CA 3.35Å; I2198-L2254 HydrophobicContact CB-CB 4.19Å; I2198-L2254 PolarHBondContact N-O 3.37Å; I2198-L2254 PolarHBondContact O-N 3.09Å; I2198-W2267 HydrophobicContact CD1-CH2 3.63Å; I2198-W2267 HydrophobicContact CD1-CZ3 3.67Å; I2198-W2267 HydrophobicContact CG1-CZ3 4.33Å
2199L81.8Confident79.4Confident103 Ų10341.3 Ų41.354%0.53924%0.24SC..EExtended strand (participates in β ladder)trans-95.4120173.2179.468.9000109.9L2252 T2253L2199-L2252 CarbonylContact C-O 3.6Å; L2199-L2252 WeakPolarHBondContact CA-O 3.29Å; L2199-T2253 HydrophobicContact CD1-CG2 3.51Å
2200I78.1Confident79.7Confident5 Ų541.3 Ų41.33%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-113.897.4175.2-46.9175000107.9F2148 V2174 I2198 S2203 S2251 L2252 L2254F2148-I2200 HydrophobicContact CB-CD1 4.42Å; F2148-I2200 HydrophobicContact CD1-CD1 3.55Å; F2148-I2200 HydrophobicContact CD2-CD1 3.9Å; F2148-I2200 HydrophobicContact CD2-CG1 4.21Å; F2148-I2200 HydrophobicContact CD2-CG2 4.49Å; F2148-I2200 HydrophobicContact CE1-CD1 3.62Å; F2148-I2200 HydrophobicContact CE2-CD1 3.98Å; F2148-I2200 HydrophobicContact CE2-CG1 4.13Å; F2148-I2200 HydrophobicContact CG-CD1 3.71Å; F2148-I2200 HydrophobicContact CG-CG1 4.49Å; F2148-I2200 HydrophobicContact CZ-CD1 3.86Å; F2148-I2200 HydrophobicContact CZ-CG1 4.31Å; V2174-I2200 HydrophobicContact CG1-CG2 4.02Å; I2198-I2200 HydrophobicContact CG2-CD1 4.43Å; I2198-I2200 HydrophobicContact CG2-CG1 3.96Å; I2200-S2203 PolarHBondContact O-OG 3.12Å; I2200-S2251 CarbonylContact O-C 3.53Å; I2200-S2251 WeakPolarHBondContact O-CA 3.23Å; I2200-L2252 HydrophobicContact CB-CB 4.28Å; I2200-L2252 PolarHBondContact N-O 3.35Å; I2200-L2252 PolarHBondContact O-N 2.73Å; I2200-L2254 HydrophobicContact CD1-CD1 3.95Å
2201P77.3Confident79.8Confident72 Ų7242.1 Ų42.147%0.46824%0.244SC..EExtended strand (participates in β ladder)trans-66.5148.9177.728.2-34.1000111.5S2203P2201-S2203 PolarHBondContact O-N 2.85Å
2202Q78.1Confident79.4Confident48 Ų4836.9 Ų36.922%0.22423%0.228CC..EExtended strand (participates in β ladder)trans5452.5167.5-60.4175.9-28.700114.9F2249Q2202-F2249 HydrophobicContact CB-CB 4.39Å
2203S79.1Confident79.3Confident0 Ų041.3 Ų41.30%024%0.244CC..EExtended strand (participates in β ladder)trans-113.5-31.2-162.862.40000115.6I2200 P2201 D2250 L2252I2200-S2203 PolarHBondContact O-OG 3.12Å; P2201-S2203 PolarHBondContact O-N 2.85Å; S2203-D2250 PolarHBondContact N-O 3.43Å; S2203-D2250 PolarHBondContact OG-O 3.34Å; S2203-D2250 VanDerWaalsContact OG-O 3.1Å; S2203-L2252 WeakPolarHBondContact OG-CB 3.49Å; S2203-L2252 WeakPolarHBondContact OG-CD1 3.35Å; S2203-L2252 PolarHBondContact OG-N 3.39Å
2204I85.5Confident79.3Confident1 Ų140 Ų401%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-132.7128.5-177.6-169.4172.8000110.8L2043 D2250 L2252 L2296 V2298L2043-I2204 HydrophobicContact CD1-CD1 3.98Å; L2043-I2204 HydrophobicContact CD2-CD1 3.77Å; I2204-D2250 HydrophobicContact CG2-CB 3.81Å; I2204-D2250 PolarHBondContact N-O 3.11Å; I2204-D2250 PolarHBondContact O-N 2.93Å; I2204-L2252 HydrophobicContact CB-CD1 4.37Å; I2204-L2252 HydrophobicContact CG2-CD1 4.18Å; I2204-L2296 HydrophobicContact CD1-CD1 4.39Å; I2204-V2298 HydrophobicContact CD1-CG2 3.96Å; I2204-V2298 HydrophobicContact CG1-CG2 4.36Å
2205P85.6Confident80Confident0 Ų039.5 Ų39.50%024%0.235CC..  trans-79.3130.7179.728.3-31.8000112.2W2172 F2207 I2208 L2218 W2248 F2249W2172-P2205 HydrophobicContact CH2-CG 3.68Å; W2172-P2205 HydrophobicContact CZ2-CG 3.52Å; W2172-P2205 HydrophobicContact CZ3-CG 4.28Å; P2205-F2207 VanDerWaalsContact C-N 3.3Å; P2205-F2207 PolarHBondContact O-N 3.36Å; P2205-I2208 HydrophobicContact CB-CG1 4.35Å; P2205-I2208 HydrophobicContact CG-CD1 3.88Å; P2205-I2208 HydrophobicContact CG-CG1 3.93Å; P2205-L2218 HydrophobicContact CB-CD2 3.71Å; P2205-L2218 HydrophobicContact CG-CD2 3.91Å; P2205-W2248 HydrophobicContact CB-CH2 4.09Å; P2205-W2248 HydrophobicContact CB-CZ3 4.35Å; P2205-F2249 HydrophobicContact CB-CD1 3.88Å; P2205-F2249 HydrophobicContact CB-CE1 3.75Å; P2205-F2249 HydrophobicContact CB-CE2 4.43Å; P2205-F2249 HydrophobicContact CB-CG 4.31Å; P2205-F2249 HydrophobicContact CB-CZ 4.04Å; P2205-F2249 HydrophobicContact CG-CZ 4.42Å
2206A80.3Confident80.8Confident5 Ų536.6 Ų36.64%0.04120%0.203CC..SBendtrans-69.6-23.3177.600000114.1W2282 V2299A2206-W2282 HydrophobicContact CB-CE3 4.29Å; A2206-W2282 HydrophobicContact CB-CZ3 3.8Å; A2206-V2299 WeakPolarHBondContact O-CB 3.4Å; A2206-V2299 PolarHBondContact O-N 2.91Å
2207F87.8Confident81.2Confident4 Ų435.5 Ų35.52%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-129.4130.8-177.8-62.9-74.6000110.9L2079 P2205 P2219 I2222 I2226 W2248 W2282 V2299 F2301L2079-F2207 HydrophobicContact CD1-CE1 4.43Å; L2079-F2207 HydrophobicContact CD1-CZ 4.15Å; L2079-F2207 HydrophobicContact CD2-CE1 4.37Å; P2205-F2207 VanDerWaalsContact C-N 3.3Å; P2205-F2207 PolarHBondContact O-N 3.36Å; F2207-P2219 HydrophobicContact CB-CG 3.7Å; F2207-P2219 VanDerWaalsContact O-CD 3.31Å; F2207-P2219 WeakPolarHBondContact O-CD 3.36Å; F2207-I2222 HydrophobicContact CD2-CG2 4.07Å; F2207-I2222 HydrophobicContact CE2-CG2 4.26Å; F2207-I2222 HydrophobicContact CG-CG2 4.46Å; F2207-I2226 HydrophobicContact CD2-CD1 4.14Å; F2207-I2226 HydrophobicContact CE2-CD1 4.04Å; F2207-W2248 HydrophobicContact CB-CH2 4.21Å; F2207-W2248 HydrophobicContact CB-CZ3 3.87Å; F2207-W2248 HydrophobicContact CD2-CE3 4.42Å; F2207-W2248 AromaticContact CD2-CZ3 3.96Å; F2207-W2248 HydrophobicContact CD2-CZ3 3.96Å; F2207-W2248 HydrophobicContact CG-CZ3 4.42Å; F2207-W2248 WeakPolarHBondContact O-CH2 3.4Å; F2207-W2282 HydrophobicContact CD2-CZ3 4.48Å; F2207-W2282 HydrophobicContact CE2-CE3 4.19Å; F2207-W2282 AromaticContact CE2-CZ3 3.93Å; F2207-W2282 HydrophobicContact CE2-CZ3 3.93Å; F2207-V2299 CarbonylContact C-O 3.55Å; F2207-V2299 WeakPolarHBondContact CA-O 3.47Å; F2207-V2299 HydrophobicContact CD1-CB 3.79Å; F2207-V2299 HydrophobicContact CD1-CG1 4.06Å; F2207-V2299 HydrophobicContact CD1-CG2 4.26Å; F2207-V2299 HydrophobicContact CE1-CB 4.19Å; F2207-V2299 HydrophobicContact CE1-CG1 4.34Å; F2207-V2299 HydrophobicContact CE1-CG2 4.2Å; F2207-F2301 HydrophobicContact CB-CE2 4.21Å; F2207-F2301 AromaticContact CD1-CE2 3.92Å; F2207-F2301 HydrophobicContact CD1-CE2 3.92Å; F2207-F2301 HydrophobicContact CD1-CZ 4.26Å; F2207-F2301 HydrophobicContact CG-CE2 4.47Å
2208I90Very high81.6Confident0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-140.8142.6-174.1-55.9-178.1000109.4L2152 F2154 W2172 P2205 L2216 V2298 V2299 G2300 F2301L2152-I2208 HydrophobicContact CD2-CD1 3.15Å; F2154-I2208 HydrophobicContact CE2-CG2 4.44Å; W2172-I2208 HydrophobicContact CH2-CD1 4.04Å; P2205-I2208 HydrophobicContact CB-CG1 4.35Å; P2205-I2208 HydrophobicContact CG-CD1 3.88Å; P2205-I2208 HydrophobicContact CG-CG1 3.93Å; I2208-L2216 HydrophobicContact CG2-CB 3.93Å; I2208-L2216 HydrophobicContact CG2-CD1 4.4Å; I2208-L2216 HydrophobicContact CG2-CD2 4.25Å; I2208-L2216 HydrophobicContact CG2-CG 4.43Å; I2208-V2298 HydrophobicContact CD1-CG1 3.51Å; I2208-V2298 HydrophobicContact CG1-CG1 3.99Å; I2208-V2299 PolarHBondContact N-O 3.44Å; I2208-G2300 CarbonylContact O-C 3.4Å; I2208-G2300 VanDerWaalsContact O-CA 3.32Å; I2208-G2300 WeakPolarHBondContact O-CA 3.38Å; I2208-F2301 WeakPolarHBondContact O-CD2 3.38Å; I2208-F2301 PolarHBondContact O-N 3.29Å
2209Q89.3Confident81.7Confident34 Ų3435 Ų3516%0.15920%0.196CC..EExtended strand (participates in β ladder)trans-103.6133.4169.3177.2-174.40.500110.2Y2104 Y2108 P2211 T2217 F2301 D2303Y2104-Q2209 WeakPolarHBondContact OH-CB 3.37Å; Y2104-Q2209 VanDerWaalsContact OH-CD 3.25Å; Y2104-Q2209 PolarHBondContact OH-OE1 3.25Å; Y2108-Q2209 PolarHBondContact OH-NE2 3.41Å; Y2108-Q2209 VanDerWaalsContact OH-NE2 3.08Å; Q2209-P2211 VanDerWaalsContact O-CD 3.3Å; Q2209-P2211 WeakPolarHBondContact O-CD 3.44Å; Q2209-T2217 WeakPolarHBondContact CB-OG1 3.42Å; Q2209-T2217 WeakPolarHBondContact CG-OG1 3.44Å; Q2209-T2217 PolarHBondContact N-O 3.49Å; Q2209-T2217 PolarHBondContact O-N 2.93Å; Q2209-T2217 PolarHBondContact OE1-OG1 3.38Å; Q2209-F2301 CarbonylContact C-O 3.54Å; Q2209-F2301 WeakPolarHBondContact CA-O 3.32Å; Q2209-F2301 HydrophobicContact CB-CB 4.45Å; Q2209-D2303 PolarHBondContact NE2-OD1 3.43Å; Q2209-D2303 PolarHBondContact NE2-OD2 3.29Å
2210V87Confident81.6Confident3 Ų334.7 Ų34.72%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-103.794.9175.4-168.30000107.4F2154 R2156 H2168 L2216 F2301 I2302 D2303F2154-V2210 HydrophobicContact CB-CG1 4.45Å; F2154-V2210 HydrophobicContact CD1-CG2 4.01Å; F2154-V2210 HydrophobicContact CD2-CG2 4.18Å; F2154-V2210 HydrophobicContact CE1-CG2 4.05Å; F2154-V2210 HydrophobicContact CE2-CG2 4.18Å; F2154-V2210 HydrophobicContact CG-CG2 4.08Å; F2154-V2210 HydrophobicContact CZ-CG2 4.13Å; R2156-V2210 PolarHBondContact NH2-O 2.86Å; H2168-V2210 HydrophobicContact CB-CG1 4.14Å; V2210-L2216 HydrophobicContact CB-CD2 4.3Å; V2210-L2216 HydrophobicContact CG1-CD2 4.12Å; V2210-L2216 HydrophobicContact CG2-CD2 3.96Å; V2210-F2301 PolarHBondContact N-O 3.43Å; V2210-I2302 HydrophobicContact CG2-CG1 4.44Å; V2210-D2303 PolarHBondContact O-N 2.91Å
2211P82.6Confident81.7Confident16 Ų1635.1 Ų35.110%0.10420%0.202CC..  trans-69.8165.1-17829.9-35.9000112R2156 H2168 Q2209 Q2213 E2215 D2303R2156-P2211 PolarHBondContact NH2-O 3.27Å; H2168-P2211 PolarHBondContact CE1-O 2.97Å; Q2209-P2211 VanDerWaalsContact O-CD 3.3Å; Q2209-P2211 WeakPolarHBondContact O-CD 3.44Å; P2211-Q2213 VanDerWaalsContact C-N 3.32Å; P2211-Q2213 PolarHBondContact O-N 3.33Å; P2211-E2215 WeakPolarHBondContact CD-O 3.44Å; P2211-E2215 WeakPolarHBondContact CG-O 3.46Å; P2211-D2303 WeakPolarHBondContact CA-OD2 3.42Å
2212N71.3Confident81.8Confident41 Ų4131.8 Ų31.822%0.21918%0.18CC..SBendtrans-62.1-36.2175.8-80.2-23000113.8D2303 R2304 A2305N2212-D2303 VanDerWaalsContact OD1-C 3.26Å; N2212-D2303 WeakPolarHBondContact OD1-CB 3.44Å; N2212-D2303 PolarHBondContact OD1-O 3.01Å; N2212-R2304 PolarHBondContact ND2-O 2.91Å; N2212-R2304 PolarHBondContact OD1-O 3.37Å; N2212-R2304 VanDerWaalsContact OD1-O 3.07Å; N2212-A2305 WeakPolarHBondContact OD1-CA 3.41Å; N2212-A2305 PolarHBondContact OD1-N 3.38Å
2213Q68.8Low81.8Confident112 Ų11229.5 Ų29.552%0.52317%0.17SC..SBendtrans-145.1136.9176.6-63.2-165.9-39.900108P2211P2211-Q2213 VanDerWaalsContact C-N 3.32Å; P2211-Q2213 PolarHBondContact O-N 3.33Å
2214G73.1Confident81.7Confident51 Ų5132.8 Ų32.853%0.52619%0.187SC..SBendtrans111.7-177.2179.900000114.5H2168H2168-G2214 PolarHBondContact ND1-O 2.98Å
2215E81.5Confident81.3Confident117 Ų11732.8 Ų32.855%0.54719%0.187SC..SBendtrans-69162.8177.5-59179.4177.900112.3K2170 P2211 T2217K2170-E2215 HydrophobicContact CD-CB 4.44Å; K2170-E2215 IonicContact NZ-OE2 2.97Å; K2170-E2215 PolarHBondContact NZ-OE2 2.84Å; P2211-E2215 WeakPolarHBondContact CD-O 3.44Å; P2211-E2215 WeakPolarHBondContact CG-O 3.46Å; E2215-T2217 PolarHBondContact O-N 3.29Å
2216L85Confident80.9Confident9 Ų933.3 Ų33.35%0.04719%0.19CC..  trans-62131.8173.1-56.9168.7000110.8L2152 F2154 H2168 K2170 I2208 V2210L2152-L2216 HydrophobicContact CB-CD1 4.39Å; L2152-L2216 HydrophobicContact CD2-CD1 4.23Å; L2152-L2216 HydrophobicContact CG-CD1 4.31Å; L2152-L2216 WeakPolarHBondContact O-CD1 3.25Å; F2154-L2216 HydrophobicContact CB-CD2 4.46Å; F2154-L2216 HydrophobicContact CD2-CD1 3.73Å; F2154-L2216 HydrophobicContact CD2-CD2 3.51Å; F2154-L2216 HydrophobicContact CD2-CG 4.26Å; F2154-L2216 HydrophobicContact CE2-CD1 4.06Å; F2154-L2216 HydrophobicContact CE2-CD2 4.04Å; F2154-L2216 HydrophobicContact CG-CD2 4.26Å; H2168-L2216 HydrophobicContact CB-CD2 3.63Å; H2168-L2216 HydrophobicContact CB-CG 4.17Å; H2168-L2216 WeakPolarHBondContact O-CD1 3.39Å; H2168-L2216 WeakPolarHBondContact O-CG 3.36Å; K2170-L2216 HydrophobicContact CB-CB 3.95Å; K2170-L2216 HydrophobicContact CB-CD1 4.07Å; K2170-L2216 HydrophobicContact CB-CG 4.35Å; I2208-L2216 HydrophobicContact CG2-CB 3.93Å; I2208-L2216 HydrophobicContact CG2-CD1 4.4Å; I2208-L2216 HydrophobicContact CG2-CD2 4.25Å; I2208-L2216 HydrophobicContact CG2-CG 4.43Å; V2210-L2216 HydrophobicContact CB-CD2 4.3Å; V2210-L2216 HydrophobicContact CG1-CD2 4.12Å; V2210-L2216 HydrophobicContact CG2-CD2 3.96Å
2217T85.9Confident80.5Confident59 Ų5934.3 Ų34.336%0.36220%0.195SC..BIsolated β-bridgetrans-105.2155.317951.10000111.3Q2209 E2215Q2209-T2217 WeakPolarHBondContact CB-OG1 3.42Å; Q2209-T2217 WeakPolarHBondContact CG-OG1 3.44Å; Q2209-T2217 PolarHBondContact N-O 3.49Å; Q2209-T2217 PolarHBondContact O-N 2.93Å; Q2209-T2217 PolarHBondContact OE1-OG1 3.38Å; E2215-T2217 PolarHBondContact O-N 3.29Å
2218L84.1Confident79.7Confident54 Ų5438 Ų3828%0.28322%0.215SC..  trans-95.8134.5175-65.4166.9000109.3P2205 T2220 W2248 F2249P2205-L2218 HydrophobicContact CB-CD2 3.71Å; P2205-L2218 HydrophobicContact CG-CD2 3.91Å; L2218-T2220 VanDerWaalsContact C-N 3.28Å; L2218-T2220 PolarHBondContact O-N 2.9Å; L2218-W2248 HydrophobicContact CB-CZ2 4.39Å; L2218-W2248 HydrophobicContact CD2-CH2 4.14Å; L2218-W2248 HydrophobicContact CD2-CZ2 4.11Å; L2218-F2249 HydrophobicContact CD1-CE1 4.24Å; L2218-F2249 HydrophobicContact CD1-CZ 3.87Å; L2218-F2249 HydrophobicContact CD2-CE1 4.29Å; L2218-F2249 HydrophobicContact CD2-CZ 4.23Å
2219P84.2Confident78.3Confident1 Ų138.4 Ų38.41%0.00622%0.217CC..  trans-73.182176.929.4-33.4000110.4Y2104 F2207 S2221 I2222 G2223 F2301Y2104-P2219 HydrophobicContact CD1-CB 4.48Å; Y2104-P2219 HydrophobicContact CE1-CB 3.65Å; F2207-P2219 HydrophobicContact CB-CG 3.7Å; F2207-P2219 VanDerWaalsContact O-CD 3.31Å; F2207-P2219 WeakPolarHBondContact O-CD 3.36Å; P2219-S2221 PolarHBondContact O-N 2.85Å; P2219-S2221 VanDerWaalsContact O-N 3.14Å; P2219-I2222 HydrophobicContact CB-CB 4.31Å; P2219-I2222 HydrophobicContact CB-CD1 4.1Å; P2219-I2222 HydrophobicContact CB-CG1 4.3Å; P2219-I2222 HydrophobicContact CG-CB 4.45Å; P2219-I2222 HydrophobicContact CG-CD1 4.41Å; P2219-I2222 PolarHBondContact O-N 3.42Å; P2219-G2223 PolarHBondContact O-N 3.49Å; P2219-F2301 HydrophobicContact CG-CD2 4.48Å; P2219-F2301 HydrophobicContact CG-CE2 4.34Å
2220T78.5Confident76.7Confident97 Ų9739 Ų3960%0.59523%0.232SC*.Hα-helixtrans-61.6-23.9-173.256.90000113.8L2218 N2224L2218-T2220 VanDerWaalsContact C-N 3.28Å; L2218-T2220 PolarHBondContact O-N 2.9Å; T2220-N2224 WeakPolarHBondContact O-CB 3.43Å; T2220-N2224 PolarHBondContact O-N 3.25Å; T2220-N2224 PolarHBondContact O-ND2 3.1Å
2221S80.5Confident75.2Confident14 Ų1446 Ų4610%0.09827%0.269CS..Hα-helixtrans-59-55169.546.60000111.2S2101 Y2104 P2219 N2224 T2225S2101-S2221 VanDerWaalsContact OG-C 3.24Å; S2101-S2221 PolarHBondContact OG-O 3.37Å; Y2104-S2221 WeakPolarHBondContact CB-OG 3.36Å; Y2104-S2221 VanDerWaalsContact CG-OG 3.29Å; P2219-S2221 PolarHBondContact O-N 2.85Å; P2219-S2221 VanDerWaalsContact O-N 3.14Å; S2221-N2224 PolarHBondContact O-N 3.01Å; S2221-T2225 PolarHBondContact O-N 2.83Å; S2221-T2225 VanDerWaalsContact O-N 3.16Å; S2221-T2225 PolarHBondContact O-OG1 3.28Å
2222I80Confident73.8Confident1 Ų147.7 Ų47.71%0.00528%0.28CS..Hα-helixtrans-65.3-46.1179.1-58178.5000110.3L2083 Y2104 F2207 P2219 N2224 T2225 I2226 F2301L2083-I2222 HydrophobicContact CD2-CG2 4.46Å; Y2104-I2222 HydrophobicContact CD1-CD1 3.92Å; Y2104-I2222 HydrophobicContact CD1-CG1 4.24Å; Y2104-I2222 HydrophobicContact CE1-CD1 4.13Å; F2207-I2222 HydrophobicContact CD2-CG2 4.07Å; F2207-I2222 HydrophobicContact CE2-CG2 4.26Å; F2207-I2222 HydrophobicContact CG-CG2 4.46Å; P2219-I2222 HydrophobicContact CB-CB 4.31Å; P2219-I2222 HydrophobicContact CB-CD1 4.1Å; P2219-I2222 HydrophobicContact CB-CG1 4.3Å; P2219-I2222 HydrophobicContact CG-CB 4.45Å; P2219-I2222 HydrophobicContact CG-CD1 4.41Å; P2219-I2222 PolarHBondContact O-N 3.42Å; I2222-N2224 VanDerWaalsContact C-N 3.33Å; I2222-N2224 PolarHBondContact O-N 3.07Å; I2222-T2225 WeakPolarHBondContact CA-OG1 3.39Å; I2222-T2225 PolarHBondContact O-N 3.2Å; I2222-T2225 PolarHBondContact O-OG1 2.99Å; I2222-I2226 HydrophobicContact CG2-CD1 3.86Å; I2222-I2226 HydrophobicContact CG2-CG1 4.49Å; I2222-I2226 VanDerWaalsContact O-CG1 3.31Å; I2222-I2226 WeakPolarHBondContact O-CG1 3.3Å; I2222-I2226 PolarHBondContact O-N 2.9Å; I2222-F2301 HydrophobicContact CD1-CE1 4.49Å; I2222-F2301 HydrophobicContact CD1-CE2 3.86Å; I2222-F2301 HydrophobicContact CD1-CZ 3.63Å
2223G76.9Confident73.1Confident1 Ų155.8 Ų55.81%0.0131%0.308CS..Hα-helixtrans-57.2-44.4175.500000112.6P2219 T2225 I2226 I2227P2219-G2223 PolarHBondContact O-N 3.49Å; G2223-T2225 VanDerWaalsContact C-N 3.34Å; G2223-T2225 PolarHBondContact O-N 3.43Å; G2223-I2226 PolarHBondContact O-N 3.24Å; G2223-I2227 WeakPolarHBondContact O-CD1 3.28Å; G2223-I2227 VanDerWaalsContact O-CG1 3.24Å; G2223-I2227 WeakPolarHBondContact O-CG1 3.44Å; G2223-I2227 PolarHBondContact O-N 3.05Å
2224N78Confident72.8Confident68 Ų6852 Ų5236%0.36429%0.291SS..Hα-helixtrans-67.2-29.7179-77.4-39.4000113.7R2097 T2220 S2221 I2222 N2228R2097-N2224 WeakPolarHBondContact CD-O 3.35Å; T2220-N2224 WeakPolarHBondContact O-CB 3.43Å; T2220-N2224 PolarHBondContact O-N 3.25Å; T2220-N2224 PolarHBondContact O-ND2 3.1Å; S2221-N2224 PolarHBondContact O-N 3.01Å; I2222-N2224 VanDerWaalsContact C-N 3.33Å; I2222-N2224 PolarHBondContact O-N 3.07Å; N2224-N2228 WeakPolarHBondContact O-CB 3.36Å; N2224-N2228 PolarHBondContact O-N 3.18Å; N2224-N2228 PolarHBondContact O-ND2 2.95Å
2225T77.7Confident72.4Confident1 Ų155 Ų551%0.00629%0.294CS..Hα-helixtrans-70.2-44.6170.434.50000111.5R2097 S2101 S2221 I2222 G2223 I2227 N2228 D2229R2097-T2225 HydrophobicContact CB-CG2 3.71Å; R2097-T2225 VanDerWaalsContact O-CG2 3.32Å; R2097-T2225 WeakPolarHBondContact O-CG2 3.34Å; S2101-T2225 WeakPolarHBondContact OG-CG2 3.27Å; S2101-T2225 PolarHBondContact OG-OG1 3.26Å; S2221-T2225 PolarHBondContact O-N 2.83Å; S2221-T2225 VanDerWaalsContact O-N 3.16Å; S2221-T2225 PolarHBondContact O-OG1 3.28Å; I2222-T2225 WeakPolarHBondContact CA-OG1 3.39Å; I2222-T2225 PolarHBondContact O-N 3.2Å; I2222-T2225 PolarHBondContact O-OG1 2.99Å; G2223-T2225 VanDerWaalsContact C-N 3.34Å; G2223-T2225 PolarHBondContact O-N 3.43Å; T2225-I2227 PolarHBondContact O-N 3.38Å; T2225-N2228 PolarHBondContact O-N 2.93Å; T2225-D2229 CarbonylContact O-C 3.38Å; T2225-D2229 WeakPolarHBondContact O-CA 3.24Å; T2225-D2229 PolarHBondContact O-N 3.02Å
2226I75.4Confident71.6Confident11 Ų1151.2 Ų51.26%0.05628%0.28CS..Hα-helixtrans-59.8-46.4179-60.8161.2000111.6F2207 I2222 G2223 I2234 W2248 L2281 W2282F2207-I2226 HydrophobicContact CD2-CD1 4.14Å; F2207-I2226 HydrophobicContact CE2-CD1 4.04Å; I2222-I2226 HydrophobicContact CG2-CD1 3.86Å; I2222-I2226 HydrophobicContact CG2-CG1 4.49Å; I2222-I2226 VanDerWaalsContact O-CG1 3.31Å; I2222-I2226 WeakPolarHBondContact O-CG1 3.3Å; I2222-I2226 PolarHBondContact O-N 2.9Å; G2223-I2226 PolarHBondContact O-N 3.24Å; I2226-I2234 HydrophobicContact CG2-CD1 3.95Å; I2226-W2248 HydrophobicContact CB-CB 4.2Å; I2226-W2248 HydrophobicContact CD1-CD2 4.46Å; I2226-W2248 HydrophobicContact CD1-CE3 4.05Å; I2226-W2248 HydrophobicContact CG2-CB 3.68Å; I2226-L2281 HydrophobicContact CB-CD2 4.49Å; I2226-L2281 HydrophobicContact CG1-CD2 3.9Å; I2226-L2281 HydrophobicContact CG1-CG 4.44Å; I2226-L2281 HydrophobicContact CG2-CD2 4.3Å; I2226-W2282 HydrophobicContact CD1-CH2 4.34Å; I2226-W2282 HydrophobicContact CD1-CZ3 4.48Å; I2226-W2282 HydrophobicContact CG2-CH2 4.24Å; I2226-W2282 HydrophobicContact CG2-CZ2 4.34Å
2227I73.3Confident70.3Confident27 Ų2756.7 Ų56.714%0.13831%0.314CS..Hα-helixtrans-66.8-41.6-177.2-63.1159.4000112G2223 T2225 T2236 E2244 W2248G2223-I2227 WeakPolarHBondContact O-CD1 3.28Å; G2223-I2227 VanDerWaalsContact O-CG1 3.24Å; G2223-I2227 WeakPolarHBondContact O-CG1 3.44Å; G2223-I2227 PolarHBondContact O-N 3.05Å; T2225-I2227 PolarHBondContact O-N 3.38Å; I2227-T2236 HydrophobicContact CG2-CG2 3.91Å; I2227-E2244 WeakPolarHBondContact CD1-O 3.26Å; I2227-W2248 HydrophobicContact CG1-CB 4.46Å; I2227-W2248 HydrophobicContact CG1-CG 4.49Å
2228N70.1Confident69.2Low82 Ų8257.9 Ų57.944%0.43934%0.337SS..Hα-helixtrans-105.7-19.8-164.8-61.4-78.8000114.7R2097 N2224 T2225R2097-N2228 VanDerWaalsContact CZ-CB 3.48Å; N2224-N2228 WeakPolarHBondContact O-CB 3.36Å; N2224-N2228 PolarHBondContact O-N 3.18Å; N2224-N2228 PolarHBondContact O-ND2 2.95Å; T2225-N2228 PolarHBondContact O-N 2.93Å
2229D60.7Low68.4Low8 Ų858.1 Ų58.14%0.04334%0.338CS..SBendtrans-137.273.1-170.6-73.2-62.9000113.2T2088 S2094 R2097 T2225T2088-D2229 PolarHBondContact OG1-OD1 3.37Å; S2094-D2229 WeakPolarHBondContact CA-OD2 3.27Å; S2094-D2229 WeakPolarHBondContact CB-OD1 3.29Å; S2094-D2229 WeakPolarHBondContact CB-OD2 3.41Å; R2097-D2229 IonicContact CZ-OD2 2.66Å; R2097-D2229 IonicContact NE-OD2 3.98Å; R2097-D2229 PolarHBondContact NE-OD2 2.99Å; R2097-D2229 IonicContact NH2-OD1 3.84Å; R2097-D2229 PolarHBondContact NH2-OD1 3.43Å; R2097-D2229 IonicContact NH2-OD2 3.23Å; R2097-D2229 PolarHBondContact NH2-OD2 2.99Å; T2225-D2229 CarbonylContact O-C 3.38Å; T2225-D2229 WeakPolarHBondContact O-CA 3.24Å; T2225-D2229 PolarHBondContact O-N 3.02Å
2230G55Low67.6Low47 Ų4764.7 Ų64.749%0.48537%0.368SS..  trans-177.6143.3169.800000114.1P2232G2230-P2232 CarbonylContact O-C 3.32Å
2231N56.5Low66.9Low150 Ų15068.5 Ų68.580%0.80238%0.377SS*.SBendtrans-78.2135.9153.8-104.7-18.1000107.3
2232P53.9Low66.1Low51 Ų5170.5 Ų70.533%0.33139%0.39SS..SBendcis-83.7150.1634.7-35.8000113G2230 I2234 G2275 D2276G2230-P2232 CarbonylContact O-C 3.32Å; P2232-I2234 PolarHBondContact O-N 3.35Å; P2232-G2275 VanDerWaalsContact CG-CA 3.43Å; P2232-D2276 HydrophobicContact CG-CB 4.43Å
2233R55.4Low65.6Low210 Ų21072.7 Ų72.779%0.79240%0.402SS*.  trans-62.7108.6177.2-67.2176.8177.5168.6-2.3111.1N2235R2233-N2235 PolarHBondContact O-N 3.07Å
2234I63.4Low65.2Low33 Ų3376.4 Ų76.417%0.16942%0.42CS..  trans-71.7107.6160.8-57.6176.7000106.6I2226 P2232 T2236 A2247 P2274I2226-I2234 HydrophobicContact CG2-CD1 3.95Å; P2232-I2234 PolarHBondContact O-N 3.35Å; I2234-T2236 HydrophobicContact CG2-CG2 4.48Å; I2234-T2236 PolarHBondContact O-N 3.49Å; I2234-A2247 HydrophobicContact CG2-CB 3.88Å; I2234-A2247 WeakPolarHBondContact CG2-O 3.29Å; I2234-P2274 HydrophobicContact CD1-CB 4.47Å; I2234-P2274 HydrophobicContact CD1-CG 4.45Å
2235N63.5Low64.8Low113 Ų11375.8 Ų75.860%0.60442%0.423SS*.  trans-72.991.9-178.9-82.9-12.9000110.6R2233 T2237 M2239R2233-N2235 PolarHBondContact O-N 3.07Å; N2235-T2237 PolarHBondContact O-N 3.49Å; N2235-M2239 WeakPolarHBondContact O-CE 3.49Å
2236T64.8Low64.6Low39 Ų3978.8 Ų78.824%0.23944%0.435CS..  trans-78.4-3.2172.255.80000113.9I2227 I2234 G2238 M2239 A2247I2227-T2236 HydrophobicContact CG2-CG2 3.91Å; I2234-T2236 HydrophobicContact CG2-CG2 4.48Å; I2234-T2236 PolarHBondContact O-N 3.49Å; T2236-G2238 PolarHBondContact O-N 3.17Å; T2236-M2239 HydrophobicContact CG2-SD 4.41Å; T2236-M2239 PolarHBondContact O-N 3.04Å; T2236-M2239 VanDerWaalsContact O-N 3.08Å; T2236-A2247 HydrophobicContact CG2-CB 3.99Å
2237T59.1Low64.5Low124 Ų12478.2 Ų78.276%0.76143%0.432SS*.THydrogen-bonded Turntrans-64.7100.4-17952.70000111.7N2235N2235-T2237 PolarHBondContact O-N 3.49Å
2238G62.1Low64.8Low83 Ų8377.2 Ų77.286%0.85643%0.426SS*.THydrogen-bonded Turntrans109.70.6-179.300000115T2236T2236-G2238 PolarHBondContact O-N 3.17Å
2239M67.1Low65.5Low59 Ų5973.5 Ų73.529%0.29141%0.406SS..  trans-78.8148.1170.9-70.3177.6-17100111.1N2235 T2236 D2243 E2244 A2247N2235-M2239 WeakPolarHBondContact O-CE 3.49Å; T2236-M2239 HydrophobicContact CG2-SD 4.41Å; T2236-M2239 PolarHBondContact O-N 3.04Å; T2236-M2239 VanDerWaalsContact O-N 3.08Å; M2239-D2243 HydrophobicContact CB-CB 4.09Å; M2239-D2243 HydrophobicContact CG-CB 4.43Å; M2239-E2244 HydrophobicContact CB-CG 4.27Å; M2239-A2247 HydrophobicContact SD-CB 4.01Å
2240E67Low66.5Low139 Ų13973.1 Ų73.165%0.6540%0.404SS*.  trans-75.9157.4169.5-152.5178.6-13300109.5S2242 D2243 E2244E2240-S2242 WeakPolarHBondContact CB-OG 3.28Å; E2240-S2242 PolarHBondContact O-N 3.4Å; E2240-S2242 VanDerWaalsContact O-N 3.08Å; E2240-S2242 PolarHBondContact OE2-OG 3.48Å; E2240-D2243 CarbonylContact O-C 3.6Å; E2240-D2243 WeakPolarHBondContact O-CA 3.46Å; E2240-D2243 PolarHBondContact O-N 3.48Å; E2240-E2244 PolarHBondContact O-N 2.99Å
2241K64.6Low67.8Low178 Ų17872.1 Ų72.177%0.77439%0.39SS*.Hα-helixtrans-58.1-26.6-177.8-80.2-177173.4178.20114.3D2243K2241-D2243 VanDerWaalsContact C-N 3.33Å
2242S64.5Low69.2Low55 Ų5565 Ų6539%0.38535%0.351SS..Hα-helixtrans-64.3-35.3171.129.10000112.4E2240E2240-S2242 WeakPolarHBondContact CB-OG 3.28Å; E2240-S2242 PolarHBondContact O-N 3.4Å; E2240-S2242 VanDerWaalsContact O-N 3.08Å; E2240-S2242 PolarHBondContact OE2-OG 3.48Å
2243D67.7Low70.8Confident48 Ų4864 Ų6426%0.25735%0.345SS..Hα-helixtrans-93.9-28.7-177.2-59.6-36.4000112.6M2239 E2240 K2241 A2245 R2246 A2247M2239-D2243 HydrophobicContact CB-CB 4.09Å; M2239-D2243 HydrophobicContact CG-CB 4.43Å; E2240-D2243 CarbonylContact O-C 3.6Å; E2240-D2243 WeakPolarHBondContact O-CA 3.46Å; E2240-D2243 PolarHBondContact O-N 3.48Å; K2241-D2243 VanDerWaalsContact C-N 3.33Å; D2243-A2245 PolarHBondContact O-N 3.14Å; D2243-R2246 CarbonylContact O-C 3.59Å; D2243-R2246 WeakPolarHBondContact O-CA 3.37Å; D2243-R2246 WeakPolarHBondContact O-CB 3.47Å; D2243-R2246 PolarHBondContact O-N 2.92Å; D2243-R2246 IonicContact OD1-CZ 3.93Å; D2243-R2246 IonicContact OD1-NH1 2.76Å; D2243-R2246 PolarHBondContact OD1-NH1 3.06Å; D2243-A2247 PolarHBondContact O-N 3.4Å; D2243-A2247 VanDerWaalsContact O-N 3.1Å
2244E69.9Low72.2Confident79 Ų7954 Ų5437%0.36931%0.307SS..Hα-helixtrans-52-41.3169-71.5-176.7148.100111.4I2227 M2239 E2240 R2246 A2247I2227-E2244 WeakPolarHBondContact CD1-O 3.26Å; M2239-E2244 HydrophobicContact CB-CG 4.27Å; E2240-E2244 PolarHBondContact O-N 2.99Å; E2244-R2246 PolarHBondContact O-N 3.46Å; E2244-A2247 VanDerWaalsContact O-CB 3.32Å; E2244-A2247 WeakPolarHBondContact O-CB 3.18Å; E2244-A2247 PolarHBondContact O-N 2.98Å
2245A68.9Low73.3Confident54 Ų5455.8 Ų55.845%0.44632%0.317SS..THydrogen-bonded Turntrans-68-18.7177.400000114.1D2243 W2248D2243-A2245 PolarHBondContact O-N 3.14Å; A2245-W2248 PolarHBondContact O-NE1 2.81Å
2246R73.2Confident74.2Confident64 Ų6452 Ų5224%0.24230%0.297CS..THydrogen-bonded Turntrans-98.4-4.9177.8-59.5170.8173.5156.8-13.7112.8L2173 D2243 E2244 W2248 F2249L2173-R2246 PolarHBondContact O-NH2 3.28Å; D2243-R2246 CarbonylContact O-C 3.59Å; D2243-R2246 WeakPolarHBondContact O-CA 3.37Å; D2243-R2246 WeakPolarHBondContact O-CB 3.47Å; D2243-R2246 PolarHBondContact O-N 2.92Å; D2243-R2246 IonicContact OD1-CZ 3.93Å; D2243-R2246 IonicContact OD1-NH1 2.76Å; D2243-R2246 PolarHBondContact OD1-NH1 3.06Å; E2244-R2246 PolarHBondContact O-N 3.46Å; R2246-W2248 PolarHBondContact O-N 3.43Å; R2246-F2249 HydrophobicContact CB-CD2 4.13Å; R2246-F2249 HydrophobicContact CB-CE2 4.25Å; R2246-F2249 HydrophobicContact CB-CG 4.32Å; R2246-F2249 HydrophobicContact CG-CD2 4.32Å; R2246-F2249 HydrophobicContact CG-CE2 3.99Å; R2246-F2249 HydrophobicContact CG-CZ 4.27Å; R2246-F2249 VanDerWaalsContact O-CB 3.27Å; R2246-F2249 WeakPolarHBondContact O-CB 3.26Å; R2246-F2249 WeakPolarHBondContact O-CG 3.5Å; R2246-F2249 PolarHBondContact O-N 2.66Å
2247A73.3Confident74.9Confident0 Ų054.1 Ų54.10%030%0.304CS..THydrogen-bonded Turntrans-63.2-18.5-16900000115I2234 T2236 M2239 D2243 E2244I2234-A2247 HydrophobicContact CG2-CB 3.88Å; I2234-A2247 WeakPolarHBondContact CG2-O 3.29Å; T2236-A2247 HydrophobicContact CG2-CB 3.99Å; M2239-A2247 HydrophobicContact SD-CB 4.01Å; D2243-A2247 PolarHBondContact O-N 3.4Å; D2243-A2247 VanDerWaalsContact O-N 3.1Å; E2244-A2247 VanDerWaalsContact O-CB 3.32Å; E2244-A2247 WeakPolarHBondContact O-CB 3.18Å; E2244-A2247 PolarHBondContact O-N 2.98Å
2248W80.7Confident75.6Confident6 Ų653.1 Ų53.12%0.02329%0.291CS..THydrogen-bonded Turntrans-100.78.9177.163.4-76.5000113.7P2205 F2207 L2218 I2226 I2227 A2245 R2246P2205-W2248 HydrophobicContact CB-CH2 4.09Å; P2205-W2248 HydrophobicContact CB-CZ3 4.35Å; F2207-W2248 HydrophobicContact CB-CH2 4.21Å; F2207-W2248 HydrophobicContact CB-CZ3 3.87Å; F2207-W2248 HydrophobicContact CD2-CE3 4.42Å; F2207-W2248 AromaticContact CD2-CZ3 3.96Å; F2207-W2248 HydrophobicContact CD2-CZ3 3.96Å; F2207-W2248 HydrophobicContact CG-CZ3 4.42Å; F2207-W2248 WeakPolarHBondContact O-CH2 3.4Å; L2218-W2248 HydrophobicContact CB-CZ2 4.39Å; L2218-W2248 HydrophobicContact CD2-CH2 4.14Å; L2218-W2248 HydrophobicContact CD2-CZ2 4.11Å; I2226-W2248 HydrophobicContact CB-CB 4.2Å; I2226-W2248 HydrophobicContact CD1-CD2 4.46Å; I2226-W2248 HydrophobicContact CD1-CE3 4.05Å; I2226-W2248 HydrophobicContact CG2-CB 3.68Å; I2227-W2248 HydrophobicContact CG1-CB 4.46Å; I2227-W2248 HydrophobicContact CG1-CG 4.49Å; A2245-W2248 PolarHBondContact O-NE1 2.81Å; R2246-W2248 PolarHBondContact O-N 3.43Å
2249F84.5Confident76Confident3 Ų351.2 Ų51.21%0.01327%0.27CS..SBendtrans-80.6151.5175.2-69.615.2000110.7Q2202 P2205 L2218 R2246Q2202-F2249 HydrophobicContact CB-CB 4.39Å; P2205-F2249 HydrophobicContact CB-CD1 3.88Å; P2205-F2249 HydrophobicContact CB-CE1 3.75Å; P2205-F2249 HydrophobicContact CB-CE2 4.43Å; P2205-F2249 HydrophobicContact CB-CG 4.31Å; P2205-F2249 HydrophobicContact CB-CZ 4.04Å; P2205-F2249 HydrophobicContact CG-CZ 4.42Å; L2218-F2249 HydrophobicContact CD1-CE1 4.24Å; L2218-F2249 HydrophobicContact CD1-CZ 3.87Å; L2218-F2249 HydrophobicContact CD2-CE1 4.29Å; L2218-F2249 HydrophobicContact CD2-CZ 4.23Å; R2246-F2249 HydrophobicContact CB-CD2 4.13Å; R2246-F2249 HydrophobicContact CB-CE2 4.25Å; R2246-F2249 HydrophobicContact CB-CG 4.32Å; R2246-F2249 HydrophobicContact CG-CD2 4.32Å; R2246-F2249 HydrophobicContact CG-CE2 3.99Å; R2246-F2249 HydrophobicContact CG-CZ 4.27Å; R2246-F2249 VanDerWaalsContact O-CB 3.27Å; R2246-F2249 WeakPolarHBondContact O-CB 3.26Å; R2246-F2249 WeakPolarHBondContact O-CG 3.5Å; R2246-F2249 PolarHBondContact O-N 2.66Å
2250D80.7Confident76.2Confident1 Ų158.7 Ų58.71%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-74.9149.5179.5-62.5-7.9000111.7S2203 I2204 E2272 H2273S2203-D2250 PolarHBondContact N-O 3.43Å; S2203-D2250 PolarHBondContact OG-O 3.34Å; S2203-D2250 VanDerWaalsContact OG-O 3.1Å; I2204-D2250 HydrophobicContact CG2-CB 3.81Å; I2204-D2250 PolarHBondContact N-O 3.11Å; I2204-D2250 PolarHBondContact O-N 2.93Å; D2250-E2272 WeakPolarHBondContact CA-O 3.45Å; D2250-H2273 IonicContact OD1-CE1 3.49Å; D2250-H2273 IonicContact OD1-CG 3.86Å; D2250-H2273 IonicContact OD1-ND1 3.53Å; D2250-H2273 PolarHBondContact OD1-ND1 2.9Å; D2250-H2273 IonicContact OD2-CE1 2.81Å; D2250-H2273 PolarHBondContact OD2-CE1 2.92Å; D2250-H2273 VanDerWaalsContact OD2-CE1 3.22Å; D2250-H2273 IonicContact OD2-ND1 2.68Å; D2250-H2273 PolarHBondContact OD2-ND1 3.17Å
2251S84.2Confident76.1Confident25 Ų2554.5 Ų54.518%0.17529%0.287CS..EExtended strand (participates in β ladder)trans-87.2125.9172.1-58.40000109.6I2200 S2271 E2272I2200-S2251 CarbonylContact O-C 3.53Å; I2200-S2251 WeakPolarHBondContact O-CA 3.23Å; S2251-S2271 CarbonylContact O-C 3.56Å; S2251-S2271 WeakPolarHBondContact O-CA 3.39Å; S2251-E2272 PolarHBondContact N-O 3.48Å; S2251-E2272 PolarHBondContact O-N 2.88Å
2252L85.4Confident76.1Confident0 Ų054.1 Ų54.10%029%0.289CS..EExtended strand (participates in β ladder)trans-89138.8176.2-108.3152.5000110.4I2045 L2199 I2200 S2203 I2204 L2254 A2269I2045-L2252 HydrophobicContact CD1-CD1 3.54Å; I2045-L2252 HydrophobicContact CD1-CD2 3.73Å; I2045-L2252 HydrophobicContact CD1-CG 4.3Å; I2045-L2252 HydrophobicContact CG1-CD1 4.3Å; L2199-L2252 CarbonylContact C-O 3.6Å; L2199-L2252 WeakPolarHBondContact CA-O 3.29Å; I2200-L2252 HydrophobicContact CB-CB 4.28Å; I2200-L2252 PolarHBondContact N-O 3.35Å; I2200-L2252 PolarHBondContact O-N 2.73Å; S2203-L2252 WeakPolarHBondContact OG-CB 3.49Å; S2203-L2252 WeakPolarHBondContact OG-CD1 3.35Å; S2203-L2252 PolarHBondContact OG-N 3.39Å; I2204-L2252 HydrophobicContact CB-CD1 4.37Å; I2204-L2252 HydrophobicContact CG2-CD1 4.18Å; L2252-L2254 HydrophobicContact CD2-CD2 4.11Å; L2252-A2269 HydrophobicContact CD2-CB 3.85Å
2253T86.6Confident76.1Confident32 Ų3258 Ų5820%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-119.9121.6170.143.20000108.5I2198 L2199 A2269 T2270I2198-T2253 CarbonylContact O-C 3.57Å; I2198-T2253 WeakPolarHBondContact O-CA 3.35Å; L2199-T2253 HydrophobicContact CD1-CG2 3.51Å; T2253-A2269 WeakPolarHBondContact O-CA 3.35Å; T2253-T2270 PolarHBondContact N-O 3.25Å; T2253-T2270 PolarHBondContact O-N 3.24Å; T2253-T2270 PolarHBondContact OG1-O 3.06Å; T2253-T2270 PolarHBondContact OG1-OG1 3.4Å
2254L84.8Confident76.3Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-111.3122.8177.8-56.8168.4000109.8I2045 L2053 I2198 I2200 L2252 W2267 I2268 A2269I2045-L2254 HydrophobicContact CD1-CD2 4.26Å; I2045-L2254 HydrophobicContact CG2-CD1 4.17Å; L2053-L2254 HydrophobicContact CD1-CD1 3.93Å; I2198-L2254 HydrophobicContact CB-CB 4.19Å; I2198-L2254 PolarHBondContact N-O 3.37Å; I2198-L2254 PolarHBondContact O-N 3.09Å; I2200-L2254 HydrophobicContact CD1-CD1 3.95Å; L2252-L2254 HydrophobicContact CD2-CD2 4.11Å; L2254-W2267 HydrophobicContact CB-CE3 3.89Å; L2254-W2267 HydrophobicContact CB-CZ3 4.25Å; L2254-I2268 CarbonylContact C-O 3.57Å; L2254-I2268 VanDerWaalsContact CA-O 3.3Å; L2254-I2268 WeakPolarHBondContact CA-O 3.36Å; L2254-A2269 HydrophobicContact CD2-CB 3.76Å
2255N85.9Confident76.7Confident69 Ų6956.6 Ų56.637%0.36930%0.296SS..EExtended strand (participates in β ladder)trans-111.3138.9173.7-81.8-41.1000110.5P2197 W2267 I2268P2197-N2255 WeakPolarHBondContact CA-OD1 3.43Å; P2197-N2255 WeakPolarHBondContact CB-OD1 3.38Å; N2255-W2267 CarbonylContact O-C 3.57Å; N2255-W2267 WeakPolarHBondContact O-CA 3.35Å; N2255-I2268 HydrophobicContact CB-CB 4.41Å; N2255-I2268 PolarHBondContact N-O 3.43Å; N2255-I2268 PolarHBondContact O-N 3.18Å
2256L84Confident77.4Confident35 Ų3555.8 Ų55.818%0.18328%0.284CS..EExtended strand (participates in β ladder)trans-96.5113.9175.1-178.361.5000109.9A2189 K2265 W2267A2189-L2256 WeakPolarHBondContact O-CD2 3.38Å; L2256-K2265 HydrophobicContact CD1-CB 4.01Å; L2256-K2265 HydrophobicContact CD1-CG 4.42Å; L2256-W2267 HydrophobicContact CB-CD2 4.4Å; L2256-W2267 HydrophobicContact CB-CE3 4.01Å; L2256-W2267 HydrophobicContact CB-CH2 3.96Å; L2256-W2267 HydrophobicContact CB-CZ2 4.33Å; L2256-W2267 HydrophobicContact CB-CZ3 3.79Å; L2256-W2267 HydrophobicContact CD1-CD2 4.1Å; L2256-W2267 HydrophobicContact CD1-CG 4.48Å; L2256-W2267 HydrophobicContact CD1-CZ2 4.08Å; L2256-W2267 HydrophobicContact CD2-CH2 4.41Å; L2256-W2267 HydrophobicContact CD2-CZ2 4.31Å; L2256-W2267 HydrophobicContact CG-CZ2 4.48Å
2257E78.6Confident78Confident82 Ų8252.8 Ų52.838%0.38327%0.272SS..EExtended strand (participates in β ladder)trans-103.8133.3172.6-170.4160.9-166.400109M2266 I2268 R2293E2257-M2266 HydrophobicContact CB-CG 3.96Å; E2257-M2266 PolarHBondContact N-O 3.2Å; E2257-M2266 PolarHBondContact O-N 2.99Å; E2257-I2268 HydrophobicContact CB-CD1 3.46Å; E2257-I2268 VanDerWaalsContact CB-CD1 3.46Å; E2257-I2268 HydrophobicContact CG-CD1 4.38Å; E2257-I2268 WeakPolarHBondContact OE2-CD1 3.42Å; E2257-R2293 IonicContact OE1-NH2 2.77Å; E2257-R2293 IonicContact OE2-CZ 2.88Å; E2257-R2293 IonicContact OE2-NH1 3.12Å; E2257-R2293 PolarHBondContact OE2-NH1 3.23Å; E2257-R2293 VanDerWaalsContact OE2-NH1 3.13Å; E2257-R2293 IonicContact OE2-NH2 3.75Å; E2257-R2293 PolarHBondContact OE2-NH2 2.98Å
2258Q74.2Confident78.7Confident104 Ų10453.1 Ų53.149%0.48627%0.274SS..EExtended strand (participates in β ladder)trans-101.5128-179.5-66.2-177.424.500109.3
2259G69.9Low79Confident42 Ų4252.8 Ų52.843%0.43327%0.273SS..  trans-74.7-164.2175.800000113.1S2261 E2264G2259-S2261 VanDerWaalsContact C-N 3.32Å; G2259-E2264 PolarHBondContact N-O 3.27Å
2260K71.1Confident78.9Confident216 Ų21654.2 Ų54.294%0.93928%0.282SS*.SBendtrans-75.5-25.5-179.2-68.4178.6-179.51740111.9E2264K2260-E2264 PolarHBondContact N-OE2 3Å
2261S64.6Low79Confident51 Ų5155.9 Ų55.936%0.35729%0.294SS..SBendtrans-97.5144.7173.8-174.90000111.8G2259 N2263 E2264G2259-S2261 VanDerWaalsContact C-N 3.32Å; S2261-N2263 PolarHBondContact O-N 3.29Å; S2261-E2264 VanDerWaalsContact CB-CD 3.4Å; S2261-E2264 VanDerWaalsContact CB-OE1 3.26Å; S2261-E2264 WeakPolarHBondContact CB-OE1 3.49Å; S2261-E2264 PolarHBondContact N-OE2 2.7Å; S2261-E2264 PolarHBondContact O-N 2.81Å
2262Q64.9Low78.7Confident171 Ų17159.1 Ų59.180%0.79931%0.306SS*.THydrogen-bonded Turntrans-59.3-16174.1-69.5-172.8-9.300114K2265Q2262-K2265 VanDerWaalsContact O-CE 3.26Å; Q2262-K2265 WeakPolarHBondContact O-CE 3.43Å; Q2262-K2265 PolarHBondContact O-NZ 2.94Å; Q2262-K2265 VanDerWaalsContact O-NZ 3.09Å
2263N65.4Low78.3Confident137 Ų13761 Ų6173%0.73332%0.315SS*.THydrogen-bonded Turntrans-94.6-13.9177.5-64.3-14.3000113.3S2261 K2265S2261-N2263 PolarHBondContact O-N 3.29Å; N2263-K2265 PolarHBondContact O-N 2.98Å
2264E71.6Confident77.6Confident69 Ų6960.8 Ų60.832%0.32231%0.314SS..  trans-84.293177.5-73.7157.1-158.100109.3Y2125 G2259 K2260 S2261Y2125-E2264 HydrophobicContact CE1-CB 4.44Å; G2259-E2264 PolarHBondContact N-O 3.27Å; K2260-E2264 PolarHBondContact N-OE2 3Å; S2261-E2264 VanDerWaalsContact CB-CD 3.4Å; S2261-E2264 VanDerWaalsContact CB-OE1 3.26Å; S2261-E2264 WeakPolarHBondContact CB-OE1 3.49Å; S2261-E2264 PolarHBondContact N-OE2 2.7Å; S2261-E2264 PolarHBondContact O-N 2.81Å
2265K77.6Confident76.8Confident28 Ų2863 Ų6312%0.12234%0.337CS..EExtended strand (participates in β ladder)trans-119.8116.4177.2-75.5170-167138.60108.8W2126 L2256 Q2262 N2263W2126-K2265 HydrophobicContact CB-CB 4.48Å; W2126-K2265 WeakPolarHBondContact CB-O 3.43Å; W2126-K2265 HydrophobicContact CE3-CB 4.4Å; W2126-K2265 HydrophobicContact CE3-CD 4.4Å; W2126-K2265 PolarHBondContact N-O 2.93Å; L2256-K2265 HydrophobicContact CD1-CB 4.01Å; L2256-K2265 HydrophobicContact CD1-CG 4.42Å; Q2262-K2265 VanDerWaalsContact O-CE 3.26Å; Q2262-K2265 WeakPolarHBondContact O-CE 3.43Å; Q2262-K2265 PolarHBondContact O-NZ 2.94Å; Q2262-K2265 VanDerWaalsContact O-NZ 3.09Å; N2263-K2265 PolarHBondContact O-N 2.98Å
2266M83.9Confident75.8Confident36 Ų3663.9 Ų63.918%0.17734%0.342CS..EExtended strand (participates in β ladder)trans-117.6138178.462.6-173.9-70.200110.4E2121 Y2125 E2257 I2268E2121-M2266 HydrophobicContact CB-CE 3.69Å; E2121-M2266 HydrophobicContact CG-CE 3.59Å; Y2125-M2266 HydrophobicContact CD1-CB 4.13Å; Y2125-M2266 HydrophobicContact CE1-CB 4.32Å; E2257-M2266 HydrophobicContact CB-CG 3.96Å; E2257-M2266 PolarHBondContact N-O 3.2Å; E2257-M2266 PolarHBondContact O-N 2.99Å; M2266-I2268 HydrophobicContact CE-CG1 4.47Å
2267W86.9Confident74.5Confident1 Ų168.4 Ų68.40%0.00436%0.362CS..EExtended strand (participates in β ladder)trans-95.9138.5171.2-66.892.2000110.2L2053 S2122 W2126 L2190 I2198 L2254 N2255 L2256L2053-W2267 HydrophobicContact CB-CD2 4.36Å; L2053-W2267 HydrophobicContact CB-CG 4.11Å; L2053-W2267 HydrophobicContact CD2-CD2 4.48Å; L2053-W2267 HydrophobicContact CD2-CZ2 3.85Å; L2053-W2267 WeakPolarHBondContact O-CB 3.45Å; S2122-W2267 WeakPolarHBondContact CB-O 3.46Å; S2122-W2267 PolarHBondContact N-O 3.43Å; W2126-W2267 AromaticContact CD2-NE1 3.32Å; W2126-W2267 VanDerWaalsContact CD2-NE1 3.32Å; W2126-W2267 AromaticContact CE2-NE1 3.82Å; W2126-W2267 HydrophobicContact CE3-CZ2 4.31Å; W2126-W2267 AromaticContact CE3-NE1 3.5Å; W2126-W2267 AromaticContact CG-CD1 3.89Å; W2126-W2267 AromaticContact CG-NE1 3.5Å; W2126-W2267 HydrophobicContact CH2-CZ2 4.23Å; W2126-W2267 HydrophobicContact CZ3-CZ2 4.09Å; L2190-W2267 HydrophobicContact CD2-CH2 4.23Å; L2190-W2267 HydrophobicContact CD2-CZ2 3.99Å; I2198-W2267 HydrophobicContact CD1-CH2 3.63Å; I2198-W2267 HydrophobicContact CD1-CZ3 3.67Å; I2198-W2267 HydrophobicContact CG1-CZ3 4.33Å; L2254-W2267 HydrophobicContact CB-CE3 3.89Å; L2254-W2267 HydrophobicContact CB-CZ3 4.25Å; N2255-W2267 CarbonylContact O-C 3.57Å; N2255-W2267 WeakPolarHBondContact O-CA 3.35Å; L2256-W2267 HydrophobicContact CB-CD2 4.4Å; L2256-W2267 HydrophobicContact CB-CE3 4.01Å; L2256-W2267 HydrophobicContact CB-CH2 3.96Å; L2256-W2267 HydrophobicContact CB-CZ2 4.33Å; L2256-W2267 HydrophobicContact CB-CZ3 3.79Å; L2256-W2267 HydrophobicContact CD1-CD2 4.1Å; L2256-W2267 HydrophobicContact CD1-CG 4.48Å; L2256-W2267 HydrophobicContact CD1-CZ2 4.08Å; L2256-W2267 HydrophobicContact CD2-CH2 4.41Å; L2256-W2267 HydrophobicContact CD2-CZ2 4.31Å; L2256-W2267 HydrophobicContact CG-CZ2 4.48Å
2268I86.9Confident73.5Confident7 Ų770 Ų704%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-110.4122.6174.2-63.9126.7000108P2120 E2121 L2254 N2255 E2257 M2266P2120-I2268 HydrophobicContact CB-CG2 4.47Å; P2120-I2268 CarbonylContact O-C 3.6Å; P2120-I2268 VanDerWaalsContact O-CA 3.23Å; P2120-I2268 WeakPolarHBondContact O-CA 3.41Å; E2121-I2268 HydrophobicContact CG-CG1 4.05Å; L2254-I2268 CarbonylContact C-O 3.57Å; L2254-I2268 VanDerWaalsContact CA-O 3.3Å; L2254-I2268 WeakPolarHBondContact CA-O 3.36Å; N2255-I2268 HydrophobicContact CB-CB 4.41Å; N2255-I2268 PolarHBondContact N-O 3.43Å; N2255-I2268 PolarHBondContact O-N 3.18Å; E2257-I2268 HydrophobicContact CB-CD1 3.46Å; E2257-I2268 VanDerWaalsContact CB-CD1 3.46Å; E2257-I2268 HydrophobicContact CG-CD1 4.38Å; E2257-I2268 WeakPolarHBondContact OE2-CD1 3.42Å; M2266-I2268 HydrophobicContact CE-CG1 4.47Å
2269A86.5Confident72.9Confident0 Ų066.2 Ų66.20%036%0.359CS..EExtended strand (participates in β ladder)trans-104.8126.5179.400000110.7I2045 Y2054 P2120 L2252 T2253 L2254I2045-A2269 HydrophobicContact CD1-CB 4.46Å; Y2054-A2269 HydrophobicContact CD1-CB 4.37Å; Y2054-A2269 HydrophobicContact CD2-CB 3.6Å; Y2054-A2269 HydrophobicContact CE1-CB 4.42Å; Y2054-A2269 HydrophobicContact CE2-CB 3.66Å; Y2054-A2269 HydrophobicContact CG-CB 3.97Å; P2120-A2269 PolarHBondContact O-N 2.82Å; L2252-A2269 HydrophobicContact CD2-CB 3.85Å; T2253-A2269 WeakPolarHBondContact O-CA 3.35Å; L2254-A2269 HydrophobicContact CD2-CB 3.76Å
2270T84.2Confident72.6Confident32 Ų3271.7 Ų71.720%0.19637%0.371CS..EExtended strand (participates in β ladder)trans-128.6135.8171.534.70000109.9T2253 P2294T2253-T2270 PolarHBondContact N-O 3.25Å; T2253-T2270 PolarHBondContact O-N 3.24Å; T2253-T2270 PolarHBondContact OG1-O 3.06Å; T2253-T2270 PolarHBondContact OG1-OG1 3.4Å; T2270-P2294 HydrophobicContact CG2-CG 4.34Å
2271S81.2Confident72.5Confident37 Ų3763 Ų6326%0.25934%0.335SS..EExtended strand (participates in β ladder)trans-99.8149.5174.2570000112.4S2251 L2296S2251-S2271 CarbonylContact O-C 3.56Å; S2251-S2271 WeakPolarHBondContact O-CA 3.39Å; S2271-L2296 VanDerWaalsContact CB-CD1 3.42Å; S2271-L2296 VanDerWaalsContact OG-CD1 3.24Å; S2271-L2296 WeakPolarHBondContact OG-CD1 3.28Å
2272E78.7Confident73Confident93 Ų9361.4 Ų61.444%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-127.8120.2170.6-177.1163.9-143.600109.8D2250 S2251 Q2277D2250-E2272 WeakPolarHBondContact CA-O 3.45Å; S2251-E2272 PolarHBondContact N-O 3.48Å; S2251-E2272 PolarHBondContact O-N 2.88Å; E2272-Q2277 PolarHBondContact OE1-NE2 3.48Å
2273H77.8Confident73.3Confident40 Ų4054 Ų5419%0.18529%0.287CS..  trans-64.4141.8175.8-66.8-48.2000110.9D2250 G2275 W2282D2250-H2273 IonicContact OD1-CE1 3.49Å; D2250-H2273 IonicContact OD1-CG 3.86Å; D2250-H2273 IonicContact OD1-ND1 3.53Å; D2250-H2273 PolarHBondContact OD1-ND1 2.9Å; D2250-H2273 IonicContact OD2-CE1 2.81Å; D2250-H2273 PolarHBondContact OD2-CE1 2.92Å; D2250-H2273 VanDerWaalsContact OD2-CE1 3.22Å; D2250-H2273 IonicContact OD2-ND1 2.68Å; D2250-H2273 PolarHBondContact OD2-ND1 3.17Å; H2273-G2275 PolarHBondContact O-N 3Å; H2273-G2275 VanDerWaalsContact O-N 3.07Å; H2273-W2282 HydrophobicContact CB-CD2 4.05Å; H2273-W2282 HydrophobicContact CB-CG 4.17Å; H2273-W2282 HydrophobicContact CB-CZ2 4.39Å; H2273-W2282 AromaticContact CD2-CG 3.81Å; H2273-W2282 AromaticContact CG-CD2 3.86Å; H2273-W2282 AromaticContact CG-CG 3.94Å; H2273-W2282 AromaticContact ND1-CE3 3.95Å
2274P71.2Confident73.2Confident26 Ų2654.4 Ų54.417%0.16928%0.282CS..SBendtrans-68.1110.2177.226.3-31.5000110.8I2234 W2282I2234-P2274 HydrophobicContact CD1-CB 4.47Å; I2234-P2274 HydrophobicContact CD1-CG 4.45Å; P2274-W2282 HydrophobicContact CG-CH2 4.3Å; P2274-W2282 HydrophobicContact CG-CZ2 4Å
2275G67.7Low72.6Confident48 Ų4853.7 Ų53.750%0.49528%0.282SS..SBendtrans127.1-143.4173.100000115P2232 H2273P2232-G2275 VanDerWaalsContact CG-CA 3.43Å; H2273-G2275 PolarHBondContact O-N 3Å; H2273-G2275 VanDerWaalsContact O-N 3.07Å
2276D64.5Low71.5Confident86 Ų8654.6 Ų54.646%0.4630%0.295SS..  trans-91.1119.3178.7178.7-1.8000108.2P2232 N2278 A2279P2232-D2276 HydrophobicContact CG-CB 4.43Å; D2276-N2278 PolarHBondContact O-N 3.34Å; D2276-N2278 WeakPolarHBondContact OD1-CB 3.46Å; D2276-N2278 PolarHBondContact OD1-N 3.12Å; D2276-N2278 PolarHBondContact OD1-ND2 3.01Å; D2276-A2279 WeakPolarHBondContact O-CB 3.13Å; D2276-A2279 PolarHBondContact O-N 2.82Å
2277Q58.4Low70.1Confident131 Ų13161 Ų6161%0.61233%0.33SS*.THydrogen-bonded Turntrans-59.3-14.9-179.7-59.6-179.93.200112.8E2272E2272-Q2277 PolarHBondContact OE1-NE2 3.48Å
2278N56.9Low68.8Low116 Ų11663.7 Ų63.762%0.6235%0.347SS*.THydrogen-bonded Turntrans-86.7-4.8176.5-61.1-72.3000114.7D2276 K2280D2276-N2278 PolarHBondContact O-N 3.34Å; D2276-N2278 WeakPolarHBondContact OD1-CB 3.46Å; D2276-N2278 PolarHBondContact OD1-N 3.12Å; D2276-N2278 PolarHBondContact OD1-ND2 3.01Å; N2278-K2280 PolarHBondContact O-N 3.4Å
2279A61.2Low67.8Low23 Ų2367.3 Ų67.319%0.1937%0.37CS..  trans-64.1127.6-178.500000112D2276 L2281 W2282D2276-A2279 WeakPolarHBondContact O-CB 3.13Å; D2276-A2279 PolarHBondContact O-N 2.82Å; A2279-L2281 PolarHBondContact O-N 3.46Å; A2279-W2282 PolarHBondContact O-N 2.77Å
2280K64.3Low67Low157 Ų15771.2 Ų71.268%0.68339%0.385SS*.THydrogen-bonded Turntrans-61.1-6.9178.7-66.5-176178-1780115.1A2082 N2278A2082-K2280 HydrophobicContact CB-CB 4.42Å; N2278-K2280 PolarHBondContact O-N 3.4Å
2281L68.5Low66.3Low34 Ų3473.7 Ų73.718%0.17840%0.403CS..THydrogen-bonded Turntrans-76.2-30.4-178.1-165.563.7000112.2A2082 L2083 I2226 A2279A2082-L2281 HydrophobicContact CB-CD1 4.23Å; L2083-L2281 HydrophobicContact CD2-CD1 3.97Å; I2226-L2281 HydrophobicContact CB-CD2 4.49Å; I2226-L2281 HydrophobicContact CG1-CD2 3.9Å; I2226-L2281 HydrophobicContact CG1-CG 4.44Å; I2226-L2281 HydrophobicContact CG2-CD2 4.3Å; A2279-L2281 PolarHBondContact O-N 3.46Å
2282W74.8Confident65.7Low17 Ų1775 Ų756%0.06442%0.423CS..SBendtrans-93.6136178.7-53.2118.6000110.4A2206 F2207 I2226 H2273 P2274 A2279 K2284A2206-W2282 HydrophobicContact CB-CE3 4.29Å; A2206-W2282 HydrophobicContact CB-CZ3 3.8Å; F2207-W2282 HydrophobicContact CD2-CZ3 4.48Å; F2207-W2282 HydrophobicContact CE2-CE3 4.19Å; F2207-W2282 AromaticContact CE2-CZ3 3.93Å; F2207-W2282 HydrophobicContact CE2-CZ3 3.93Å; I2226-W2282 HydrophobicContact CD1-CH2 4.34Å; I2226-W2282 HydrophobicContact CD1-CZ3 4.48Å; I2226-W2282 HydrophobicContact CG2-CH2 4.24Å; I2226-W2282 HydrophobicContact CG2-CZ2 4.34Å; H2273-W2282 HydrophobicContact CB-CD2 4.05Å; H2273-W2282 HydrophobicContact CB-CG 4.17Å; H2273-W2282 HydrophobicContact CB-CZ2 4.39Å; H2273-W2282 AromaticContact CD2-CG 3.81Å; H2273-W2282 AromaticContact CG-CD2 3.86Å; H2273-W2282 AromaticContact CG-CG 3.94Å; H2273-W2282 AromaticContact ND1-CE3 3.95Å; P2274-W2282 HydrophobicContact CG-CH2 4.3Å; P2274-W2282 HydrophobicContact CG-CZ2 4Å; A2279-W2282 PolarHBondContact O-N 2.77Å; W2282-K2284 PolarHBondContact O-N 3.03Å
2283I70.6Confident65.5Low15 Ų1574 Ų748%0.07742%0.415CS..  trans-74.2101.4179.1-56.6-176.9000108.6I2071 I2115 T2285 Q2297 V2299I2071-I2283 HydrophobicContact CD1-CD1 3.81Å; I2115-I2283 HydrophobicContact CD1-CG2 4.5Å; I2283-T2285 PolarHBondContact O-N 2.84Å; I2283-T2285 VanDerWaalsContact O-N 3.13Å; I2283-Q2297 PolarHBondContact O-NE2 3.3Å; I2283-V2299 HydrophobicContact CD1-CG2 3.88Å
2284K63.6Low65.4Low146 Ų14675.2 Ų75.264%0.63543%0.427SS*.PPolyproline II helixtrans-46.7119.6178.7-68.1-169.6174.8-166.60111.6W2282 A2286W2282-K2284 PolarHBondContact O-N 3.03Å; K2284-A2286 PolarHBondContact O-N 2.91Å
2285T58.9Low65.9Low54 Ų5475.6 Ų75.633%0.33143%0.425SS..PPolyproline II helixtrans-53.8125.1170.1-44.70000108.6I2283I2283-T2285 PolarHBondContact O-N 2.84Å; I2283-T2285 VanDerWaalsContact O-N 3.13Å
2286A54.5Low66.6Low48 Ų4873.4 Ų73.440%0.39740%0.402SS..PPolyproline II helixtrans-63.4163.8177.500000110.6K2284 T2288K2284-A2286 PolarHBondContact O-N 2.91Å; A2286-T2288 PolarHBondContact O-N 3.35Å; A2286-T2288 PolarHBondContact O-OG1 3.02Å
2287N55.8Low67.5Low169 Ų16969.8 Ų69.890%0.90438%0.383SS*.SBendtrans-580.5178.6-76.24.7000115.3T2289N2287-T2289 PolarHBondContact O-N 3.35Å
2288T58.8Low68.9Low58 Ų5863.7 Ų63.736%0.35635%0.354SS..  trans-62.996.9166.350.40000110.1A2286 Y2295A2286-T2288 PolarHBondContact O-N 3.35Å; A2286-T2288 PolarHBondContact O-OG1 3.02Å; T2288-Y2295 VanDerWaalsContact O-CD2 3.3Å; T2288-Y2295 WeakPolarHBondContact O-CD2 3.39Å
2289T66.6Low70.4Confident84 Ų8458.4 Ų58.452%0.51533%0.326SS..EExtended strand (participates in β ladder)trans-99.2150.1163.354.40000109.3N2287 R2293N2287-T2289 PolarHBondContact O-N 3.35Å; T2289-R2293 CarbonylContact C-O 3.58Å; T2289-R2293 WeakPolarHBondContact CA-O 3.31Å; T2289-R2293 WeakPolarHBondContact CB-O 3.35Å
2290Y68.7Low71.7Confident81 Ų8157.3 Ų57.332%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-112.5123.6170.2-176.2-89.7000107.3P2120 E2121 G2292 R2293P2120-Y2290 HydrophobicContact CG-CD1 4.12Å; E2121-Y2290 WeakPolarHBondContact OE2-CE1 3.37Å; Y2290-G2292 PolarHBondContact O-N 3.12Å; Y2290-R2293 PolarHBondContact N-O 2.98Å; Y2290-R2293 WeakPolarHBondContact O-CB 3.22Å; Y2290-R2293 PolarHBondContact O-N 3.01Å
2291S68.9Low72.9Confident84 Ų8449.8 Ų49.859%0.58728%0.284SS*.THydrogen-bonded Turntrans55.631.8-175.4-151.40000113.3E2121 R2293E2121-S2291 VanDerWaalsContact OE1-CB 3.22Å; E2121-S2291 WeakPolarHBondContact OE1-CB 3.17Å; E2121-S2291 PolarHBondContact OE1-OG 3.01Å; S2291-R2293 PolarHBondContact O-N 3.12Å
2292G69.9Low73.8Confident66 Ų6648.4 Ų48.468%0.6828%0.277SS*.THydrogen-bonded Turntrans70.72.6-174.200000115.4Y2290Y2290-G2292 PolarHBondContact O-N 3.12Å
2293R74.4Confident74.2Confident70 Ų7049.1 Ų49.126%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-103146.7179.7-62.2161.4175.1168-8.8109.9P2120 E2121 E2257 T2289 Y2290 S2291P2120-R2293 HydrophobicContact CB-CB 4.03Å; P2120-R2293 HydrophobicContact CG-CB 3.74Å; E2121-R2293 IonicContact OE1-CZ 2.78Å; E2121-R2293 IonicContact OE1-NH1 3.22Å; E2121-R2293 PolarHBondContact OE1-NH1 3.41Å; E2257-R2293 IonicContact OE1-NH2 2.77Å; E2257-R2293 IonicContact OE2-CZ 2.88Å; E2257-R2293 IonicContact OE2-NH1 3.12Å; E2257-R2293 PolarHBondContact OE2-NH1 3.23Å; E2257-R2293 VanDerWaalsContact OE2-NH1 3.13Å; E2257-R2293 IonicContact OE2-NH2 3.75Å; E2257-R2293 PolarHBondContact OE2-NH2 2.98Å; T2289-R2293 CarbonylContact C-O 3.58Å; T2289-R2293 WeakPolarHBondContact CA-O 3.31Å; T2289-R2293 WeakPolarHBondContact CB-O 3.35Å; Y2290-R2293 PolarHBondContact N-O 2.98Å; Y2290-R2293 WeakPolarHBondContact O-CB 3.22Å; Y2290-R2293 PolarHBondContact O-N 3.01Å; S2291-R2293 PolarHBondContact O-N 3.12Å
2294P75.6Confident74.5Confident66 Ų6653 Ų5343%0.42930%0.296SS..EExtended strand (participates in β ladder)trans-71.8149.2177.430-34.4000111.6T2270T2270-P2294 HydrophobicContact CG2-CG 4.34Å
2295Y80.7Confident74.7Confident35 Ų3547.5 Ų47.514%0.13728%0.277CS..PPolyproline II helixtrans-71.7149170.4-76.1-105.1000111.4R2117 F2118 R2119 T2288R2117-Y2295 HydrophobicContact CB-CD1 3.87Å; R2117-Y2295 HydrophobicContact CB-CG 4.28Å; F2118-Y2295 WeakPolarHBondContact O-CD1 3.18Å; R2119-Y2295 HydrophobicContact CG-CE1 3.94Å; T2288-Y2295 VanDerWaalsContact O-CD2 3.3Å; T2288-Y2295 WeakPolarHBondContact O-CD2 3.39Å
2296L83.6Confident74.9Confident1 Ų149.9 Ų49.91%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-82118.9170.5171.560.2000108.9L2043 Y2054 R2117 F2118 I2204 S2271L2043-L2296 HydrophobicContact CD2-CD2 3.43Å; L2043-L2296 VanDerWaalsContact CD2-CD2 3.43Å; L2043-L2296 HydrophobicContact CD2-CG 4.28Å; Y2054-L2296 HydrophobicContact CE1-CD2 4.37Å; R2117-L2296 WeakPolarHBondContact CA-O 3.48Å; F2118-L2296 HydrophobicContact CB-CB 4.14Å; F2118-L2296 HydrophobicContact CB-CD2 4.41Å; F2118-L2296 HydrophobicContact CB-CG 4.37Å; F2118-L2296 HydrophobicContact CD2-CG 4.26Å; F2118-L2296 PolarHBondContact N-O 2.66Å; F2118-L2296 PolarHBondContact O-N 3.35Å; I2204-L2296 HydrophobicContact CD1-CD1 4.39Å; S2271-L2296 VanDerWaalsContact CB-CD1 3.42Å; S2271-L2296 VanDerWaalsContact OG-CD1 3.24Å; S2271-L2296 WeakPolarHBondContact OG-CD1 3.28Å
2297Q83.7Confident75.2Confident11 Ų1150.4 Ų50.45%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-117.6135.2-166.6-169.7179.9-98.700112.8I2115 V2116 R2117 I2283I2115-Q2297 HydrophobicContact CG2-CG 3.68Å; V2116-Q2297 WeakPolarHBondContact O-CA 3.38Å; R2117-Q2297 HydrophobicContact CG-CG 4.42Å; I2283-Q2297 PolarHBondContact O-NE2 3.3Å
2298V87.2Confident75.3Confident2 Ų245 Ų451%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-133.5139.7176176.20000109.9V2116 F2118 L2152 I2204 I2208V2116-V2298 PolarHBondContact N-O 2.95Å; V2116-V2298 PolarHBondContact O-N 3.09Å; F2118-V2298 HydrophobicContact CE2-CB 4.33Å; F2118-V2298 HydrophobicContact CE2-CG2 3.99Å; L2152-V2298 HydrophobicContact CD2-CG1 4.44Å; I2204-V2298 HydrophobicContact CD1-CG2 3.96Å; I2204-V2298 HydrophobicContact CG1-CG2 4.36Å; I2208-V2298 HydrophobicContact CD1-CG1 3.51Å; I2208-V2298 HydrophobicContact CG1-CG1 3.99Å
2299V88.2Confident75.2Confident5 Ų546.6 Ų46.63%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-105.8121.5179.1-175.40000110.6I2113 L2114 A2206 F2207 I2208 I2283I2113-V2299 HydrophobicContact CG2-CG1 3.91Å; L2114-V2299 CarbonylContact O-C 3.35Å; L2114-V2299 WeakPolarHBondContact O-CA 3.29Å; A2206-V2299 WeakPolarHBondContact O-CB 3.4Å; A2206-V2299 PolarHBondContact O-N 2.91Å; F2207-V2299 CarbonylContact C-O 3.55Å; F2207-V2299 WeakPolarHBondContact CA-O 3.47Å; F2207-V2299 HydrophobicContact CD1-CB 3.79Å; F2207-V2299 HydrophobicContact CD1-CG1 4.06Å; F2207-V2299 HydrophobicContact CD1-CG2 4.26Å; F2207-V2299 HydrophobicContact CE1-CB 4.19Å; F2207-V2299 HydrophobicContact CE1-CG1 4.34Å; F2207-V2299 HydrophobicContact CE1-CG2 4.2Å; I2208-V2299 PolarHBondContact N-O 3.44Å; I2283-V2299 HydrophobicContact CD1-CG2 3.88Å
2300G88.2Confident74.9Confident0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-108122.5179.700000113.3L2114 I2208L2114-G2300 PolarHBondContact N-O 3.04Å; L2114-G2300 PolarHBondContact O-N 2.91Å; I2208-G2300 CarbonylContact O-C 3.4Å; I2208-G2300 VanDerWaalsContact O-CA 3.32Å; I2208-G2300 WeakPolarHBondContact O-CA 3.38Å
2301F90.3Very high74.5Confident0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-89.6114.7168.5-61.9-86.6000109.3Y2104 L2105 Y2108 I2113 F2207 I2208 Q2209 V2210 P2219 I2222Y2104-F2301 HydrophobicContact CE1-CD1 4.49Å; Y2104-F2301 HydrophobicContact CE1-CD2 4.45Å; Y2104-F2301 HydrophobicContact CE1-CG 4.38Å; L2105-F2301 HydrophobicContact CD1-CE1 3.9Å; L2105-F2301 HydrophobicContact CD1-CZ 4.42Å; Y2108-F2301 HydrophobicContact CD1-CB 4.38Å; Y2108-F2301 AromaticContact CD2-CD1 3.98Å; Y2108-F2301 HydrophobicContact CD2-CD1 3.98Å; Y2108-F2301 HydrophobicContact CE1-CB 4.16Å; Y2108-F2301 HydrophobicContact CE2-CB 4.32Å; Y2108-F2301 HydrophobicContact CE2-CD1 4.41Å; Y2108-F2301 HydrophobicContact CG-CD1 4.15Å; I2113-F2301 HydrophobicContact CD1-CD1 4.13Å; I2113-F2301 HydrophobicContact CD1-CE1 3.89Å; I2113-F2301 HydrophobicContact CG1-CD1 3.78Å; I2113-F2301 HydrophobicContact CG1-CE1 4Å; I2113-F2301 HydrophobicContact CG2-CE1 4.44Å; F2207-F2301 HydrophobicContact CB-CE2 4.21Å; F2207-F2301 AromaticContact CD1-CE2 3.92Å; F2207-F2301 HydrophobicContact CD1-CE2 3.92Å; F2207-F2301 HydrophobicContact CD1-CZ 4.26Å; F2207-F2301 HydrophobicContact CG-CE2 4.47Å; I2208-F2301 WeakPolarHBondContact O-CD2 3.38Å; I2208-F2301 PolarHBondContact O-N 3.29Å; Q2209-F2301 CarbonylContact C-O 3.54Å; Q2209-F2301 WeakPolarHBondContact CA-O 3.32Å; Q2209-F2301 HydrophobicContact CB-CB 4.45Å; V2210-F2301 PolarHBondContact N-O 3.43Å; P2219-F2301 HydrophobicContact CG-CD2 4.48Å; P2219-F2301 HydrophobicContact CG-CE2 4.34Å; I2222-F2301 HydrophobicContact CD1-CE1 4.49Å; I2222-F2301 HydrophobicContact CD1-CE2 3.86Å; I2222-F2301 HydrophobicContact CD1-CZ 3.63Å
2302I87.3Confident74.1Confident4 Ų444.9 Ų44.92%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-100.1118.6-172.5-59.4167.1000109.8P2038 D2112 L2114 V2210P2038-I2302 HydrophobicContact CG-CD1 4.42Å; D2112-I2302 PolarHBondContact O-N 3.44Å; L2114-I2302 HydrophobicContact CB-CD1 3.93Å; L2114-I2302 HydrophobicContact CD2-CD1 4.3Å; V2210-I2302 HydrophobicContact CG2-CG1 4.44Å
2303D82.5Confident73.5Confident32 Ų3245.3 Ų45.317%0.17123%0.232CC..PPolyproline II helixtrans-70.5138.6171.2-72.22.3000110.9Y2108 R2156 Q2209 V2210 P2211 N2212Y2108-D2303 WeakPolarHBondContact CE1-OD1 3.25Å; Y2108-D2303 PolarHBondContact OH-OD1 2.91Å; R2156-D2303 PolarHBondContact NH1-O 3.48Å; R2156-D2303 PolarHBondContact NH2-O 3.14Å; Q2209-D2303 PolarHBondContact NE2-OD1 3.43Å; Q2209-D2303 PolarHBondContact NE2-OD2 3.29Å; V2210-D2303 PolarHBondContact O-N 2.91Å; P2211-D2303 WeakPolarHBondContact CA-OD2 3.42Å; N2212-D2303 VanDerWaalsContact OD1-C 3.26Å; N2212-D2303 WeakPolarHBondContact OD1-CB 3.44Å; N2212-D2303 PolarHBondContact OD1-O 3.01Å
2304R76.6Confident72.8Confident98 Ų9845.4 Ų45.437%0.3724%0.235SC..PPolyproline II helixtrans-74.8124.4176.8-64.3-174.5-178.8-157.7-1.8111.7T2034 I2035 T2109 D2112 N2212T2034-R2304 CarbonylContact O-C 3.6Å; T2034-R2304 WeakPolarHBondContact O-CA 3.39Å; I2035-R2304 HydrophobicContact CG1-CG 4.24Å; T2109-R2304 PolarHBondContact OG1-NH2 3.41Å; T2109-R2304 VanDerWaalsContact OG1-NH2 3.11Å; D2112-R2304 VanDerWaalsContact OD1-CG 3.3Å; D2112-R2304 WeakPolarHBondContact OD1-CG 3.48Å; D2112-R2304 IonicContact OD1-CZ 3.23Å; D2112-R2304 IonicContact OD1-NE 3.42Å; D2112-R2304 PolarHBondContact OD1-NE 2.99Å; D2112-R2304 IonicContact OD1-NH2 2.66Å; D2112-R2304 PolarHBondContact OD1-NH2 2.93Å; D2112-R2304 IonicContact OD2-CZ 3.35Å; D2112-R2304 IonicContact OD2-NE 3.8Å; D2112-R2304 PolarHBondContact OD2-NE 3.04Å; D2112-R2304 IonicContact OD2-NH2 2.67Å; D2112-R2304 PolarHBondContact OD2-NH2 2.98Å; N2212-R2304 PolarHBondContact ND2-O 2.91Å; N2212-R2304 PolarHBondContact OD1-O 3.37Å; N2212-R2304 VanDerWaalsContact OD1-O 3.07Å
2305A67.8Low72Confident29 Ų2949.6 Ų49.624%0.2425%0.246CC..BIsolated β-bridgetrans-73.8141.4-179.200000112.1T2034 N2212T2034-A2305 PolarHBondContact N-O 3.47Å; T2034-A2305 PolarHBondContact O-N 2.89Å; T2034-A2305 PolarHBondContact OG1-O 3.41Å; N2212-A2305 WeakPolarHBondContact OD1-CA 3.41Å; N2212-A2305 PolarHBondContact OD1-N 3.38Å
2306F64.3Low71Confident104 Ų10449.8 Ų49.846%0.45626%0.259SS..PPolyproline II helixtrans-90.5145.4166.4-66.1-75.5000110S2308F2306-S2308 PolarHBondContact O-N 3.15Å
2307P60.3Low70Confident59 Ų5952.3 Ų52.338%0.38329%0.285SS..PPolyproline II helixtrans-51.3131.6168.2-2734.3000111.8F2309 L2310 A2311P2307-F2309 PolarHBondContact O-N 2.68Å; P2307-L2310 HydrophobicContact CB-CD1 4.49Å; P2307-L2310 HydrophobicContact CG-CD1 4.31Å; P2307-L2310 WeakPolarHBondContact O-CB 3.4Å; P2307-L2310 PolarHBondContact O-N 2.8Å; P2307-A2311 PolarHBondContact O-N 3.22Å
2308S58.6Low69Low56 Ų5654.7 Ų54.739%0.39230%0.3SS..Hα-helixtrans-55-30.4-170.359.10000114.7F2306 K2312F2306-S2308 PolarHBondContact O-N 3.15Å; S2308-K2312 PolarHBondContact O-N 3.22Å
2309F56.6Low68.2Low92 Ų9260.3 Ų60.340%0.40433%0.329SS..Hα-helixtrans-60.6-47.9171.6173.7-101.1000113K1828 P2307 K2312 V2313K1828-F2309 HydrophobicContact CD-CB 4.49Å; K1828-F2309 HydrophobicContact CD-CD2 4.44Å; P2307-F2309 PolarHBondContact O-N 2.68Å; F2309-K2312 PolarHBondContact O-N 2.88Å; F2309-V2313 HydrophobicContact CE1-CG2 4.49Å; F2309-V2313 HydrophobicContact CE2-CG2 4.49Å; F2309-V2313 HydrophobicContact CZ-CG2 4.28Å; F2309-V2313 PolarHBondContact O-N 3.35Å
2310L59.1Low67.4Low22 Ų2263.2 Ų63.212%0.11535%0.353CS..Hα-helixtrans-66.8-41.7-179.7-72.2173.9000110.6L2029 P2307 K2312 V2313 F2314L2029-L2310 HydrophobicContact CD1-CD2 4.34Å; L2029-L2310 HydrophobicContact CD2-CD2 4.38Å; P2307-L2310 HydrophobicContact CB-CD1 4.49Å; P2307-L2310 HydrophobicContact CG-CD1 4.31Å; P2307-L2310 WeakPolarHBondContact O-CB 3.4Å; P2307-L2310 PolarHBondContact O-N 2.8Å; L2310-K2312 VanDerWaalsContact C-N 3.26Å; L2310-K2312 PolarHBondContact O-N 3.4Å; L2310-V2313 PolarHBondContact O-N 2.87Å; L2310-V2313 VanDerWaalsContact O-N 3.15Å; L2310-F2314 HydrophobicContact CB-CD2 4.08Å; L2310-F2314 HydrophobicContact CB-CE2 3.9Å; L2310-F2314 HydrophobicContact CD2-CE2 4.08Å; L2310-F2314 HydrophobicContact CD2-CZ 4.49Å; L2310-F2314 HydrophobicContact CG-CE2 4.44Å; L2310-F2314 WeakPolarHBondContact O-CD2 3.22Å; L2310-F2314 PolarHBondContact O-N 3.31Å
2311A59.8Low66.4Low28 Ų2867.4 Ų67.423%0.23138%0.378CS..Hα-helixtrans-59.2-33.6176.600000113.1P2307 K2315P2307-A2311 PolarHBondContact O-N 3.22Å; A2311-K2315 VanDerWaalsContact O-CG 3.27Å; A2311-K2315 WeakPolarHBondContact O-CG 3.31Å; A2311-K2315 PolarHBondContact O-N 3.14Å
2312K62Low65.5Low162 Ų16270.5 Ų70.570%0.70439%0.391SS*.Hα-helixtrans-72.2-39.9174-76.1178.8179.4173.60112.8S2308 F2309 L2310S2308-K2312 PolarHBondContact O-N 3.22Å; F2309-K2312 PolarHBondContact O-N 2.88Å; L2310-K2312 VanDerWaalsContact C-N 3.26Å; L2310-K2312 PolarHBondContact O-N 3.4Å
2313V57.1Low65.1Low75 Ų7574.7 Ų74.746%0.45541%0.413SS..Hα-helixtrans-70.1-42178.6177.10000111.6F2309 L2310 K2315 G2316F2309-V2313 HydrophobicContact CE1-CG2 4.49Å; F2309-V2313 HydrophobicContact CE2-CG2 4.49Å; F2309-V2313 HydrophobicContact CZ-CG2 4.28Å; F2309-V2313 PolarHBondContact O-N 3.35Å; L2310-V2313 PolarHBondContact O-N 2.87Å; L2310-V2313 VanDerWaalsContact O-N 3.15Å; V2313-K2315 VanDerWaalsContact C-N 3.29Å; V2313-K2315 PolarHBondContact O-N 2.93Å; V2313-G2316 PolarHBondContact O-N 3.49Å
2314F58.9Low64.9Low73 Ų7376 Ų7632%0.3242%0.424SS..Hα-helixtrans-72.4-17.2179.2-67-52.7000114.3L2029 L2310 G2316 V2318L2029-F2314 HydrophobicContact CB-CZ 4.42Å; L2310-F2314 HydrophobicContact CB-CD2 4.08Å; L2310-F2314 HydrophobicContact CB-CE2 3.9Å; L2310-F2314 HydrophobicContact CD2-CE2 4.08Å; L2310-F2314 HydrophobicContact CD2-CZ 4.49Å; L2310-F2314 HydrophobicContact CG-CE2 4.44Å; L2310-F2314 WeakPolarHBondContact O-CD2 3.22Å; L2310-F2314 PolarHBondContact O-N 3.31Å; F2314-G2316 PolarHBondContact O-N 3.01Å; F2314-V2318 HydrophobicContact CD1-CG2 4.05Å; F2314-V2318 HydrophobicContact CE1-CG2 4.48Å
2315K59.6Low64.7Low154 Ų15474 Ų7467%0.6742%0.423SS*.THydrogen-bonded Turntrans-69.7-11.8166.6-78.3173.6-177.2-178.90112.7A2311 V2313A2311-K2315 VanDerWaalsContact O-CG 3.27Å; A2311-K2315 WeakPolarHBondContact O-CG 3.31Å; A2311-K2315 PolarHBondContact O-N 3.14Å; V2313-K2315 VanDerWaalsContact C-N 3.29Å; V2313-K2315 PolarHBondContact O-N 2.93Å
2316G59.7Low65.4Low39 Ų3975.2 Ų75.240%0.40242%0.424SS..SBendtrans-104.6153.4172.700000113.4V2313 F2314 V2318V2313-G2316 PolarHBondContact O-N 3.49Å; F2314-G2316 PolarHBondContact O-N 3.01Å; G2316-V2318 PolarHBondContact O-N 2.71Å
2317G63.1Low66.2Low54 Ų5475.7 Ų75.756%0.55743%0.431SS*.  trans-6987.7-177.100000114I2319 A2320 V2321G2317-I2319 PolarHBondContact O-N 2.85Å; G2317-I2319 VanDerWaalsContact O-N 3.12Å; G2317-A2320 WeakPolarHBondContact O-CA 3.33Å; G2317-A2320 WeakPolarHBondContact O-CB 3.4Å; G2317-A2320 PolarHBondContact O-N 3.12Å; G2317-V2321 PolarHBondContact O-N 3.06Å
2318V62.3Low67.1Low60 Ų6077.7 Ų77.736%0.36444%0.442SS..Hα-helixtrans-52.5-35.9-179.5-179.20000113F2314 G2316 A2320 V2321 Y2322F2314-V2318 HydrophobicContact CD1-CG2 4.05Å; F2314-V2318 HydrophobicContact CE1-CG2 4.48Å; G2316-V2318 PolarHBondContact O-N 2.71Å; V2318-A2320 VanDerWaalsContact C-N 3.33Å; V2318-A2320 PolarHBondContact O-N 3.27Å; V2318-V2321 PolarHBondContact O-N 3.49Å; V2318-Y2322 WeakPolarHBondContact O-CB 3.2Å; V2318-Y2322 PolarHBondContact O-N 2.55Å
2319I69.8Low68Low121 Ų12176.4 Ų76.462%0.62143%0.432SS*.Hα-helixtrans-64-36.6176-64.9170.4000111.8G2317 Y2322 L2323G2317-I2319 PolarHBondContact O-N 2.85Å; G2317-I2319 VanDerWaalsContact O-N 3.12Å; I2319-Y2322 PolarHBondContact O-N 2.98Å; I2319-L2323 HydrophobicContact CG2-CD1 3.96Å; I2319-L2323 WeakPolarHBondContact O-CB 3.28Å; I2319-L2323 WeakPolarHBondContact O-CG 3.45Å; I2319-L2323 PolarHBondContact O-N 2.65Å
2320A71.5Confident69.1Low65 Ų6573.8 Ų73.854%0.53743%0.431SS..Hα-helixtrans-70.5-36.8176.300000111.5G2317 V2318 S2324G2317-A2320 WeakPolarHBondContact O-CA 3.33Å; G2317-A2320 WeakPolarHBondContact O-CB 3.4Å; G2317-A2320 PolarHBondContact O-N 3.12Å; V2318-A2320 VanDerWaalsContact C-N 3.33Å; V2318-A2320 PolarHBondContact O-N 3.27Å; A2320-S2324 VanDerWaalsContact O-CB 3.3Å; A2320-S2324 WeakPolarHBondContact O-CB 3.43Å; A2320-S2324 PolarHBondContact O-N 3.35Å; A2320-S2324 PolarHBondContact O-OG 3Å
2321V66.9Low70Confident88 Ų8882 Ų8253%0.53346%0.46SS..Hα-helixtrans-65.1-44.8172.2-178.20000110.8G2317 V2318 S2324 V2325G2317-V2321 PolarHBondContact O-N 3.06Å; V2318-V2321 PolarHBondContact O-N 3.49Å; V2321-S2324 PolarHBondContact O-N 2.9Å; V2321-S2324 PolarHBondContact O-OG 3.05Å; V2321-V2325 HydrophobicContact CG1-CG2 4.39Å; V2321-V2325 WeakPolarHBondContact O-CB 3.4Å; V2321-V2325 VanDerWaalsContact O-CG2 3.25Å; V2321-V2325 WeakPolarHBondContact O-CG2 3.47Å; V2321-V2325 PolarHBondContact O-N 3.04Å
2322Y72.3Confident70.4Confident66 Ų6683.1 Ų83.126%0.25947%0.474SS..Hα-helixtrans-60.6-48176172.5-106.9000112.4P2022 V2318 I2319 V2325 I2326P2022-Y2322 HydrophobicContact CB-CD2 3.66Å; P2022-Y2322 HydrophobicContact CB-CE2 4Å; P2022-Y2322 HydrophobicContact CG-CD2 3.95Å; P2022-Y2322 HydrophobicContact CG-CE2 4.12Å; V2318-Y2322 WeakPolarHBondContact O-CB 3.2Å; V2318-Y2322 PolarHBondContact O-N 2.55Å; I2319-Y2322 PolarHBondContact O-N 2.98Å; Y2322-V2325 PolarHBondContact O-N 3.47Å; Y2322-I2326 HydrophobicContact CD1-CD1 4.36Å; Y2322-I2326 HydrophobicContact CD2-CD1 4.04Å; Y2322-I2326 HydrophobicContact CE1-CD1 3.77Å; Y2322-I2326 HydrophobicContact CE2-CD1 3.4Å; Y2322-I2326 VanDerWaalsContact CE2-CD1 3.4Å; Y2322-I2326 HydrophobicContact CE2-CG1 4.29Å; Y2322-I2326 HydrophobicContact CG-CD1 4.49Å; Y2322-I2326 PolarHBondContact O-N 3.28Å; Y2322-I2326 WeakPolarHBondContact OH-CD1 3.37Å
2323L78.5Confident70.8Confident92 Ų9280.6 Ų80.648%0.48247%0.468SS..Hα-helixtrans-62.9-41.3175.8-77.6167.5000111.9I2319 L2327I2319-L2323 HydrophobicContact CG2-CD1 3.96Å; I2319-L2323 WeakPolarHBondContact O-CB 3.28Å; I2319-L2323 WeakPolarHBondContact O-CG 3.45Å; I2319-L2323 PolarHBondContact O-N 2.65Å; L2323-L2327 VanDerWaalsContact O-CB 3.26Å; L2323-L2327 WeakPolarHBondContact O-CB 3.41Å; L2323-L2327 WeakPolarHBondContact O-CG 3.21Å; L2323-L2327 PolarHBondContact O-N 3.26Å
2324S77.2Confident71.7Confident59 Ų5979.9 Ų79.941%0.41346%0.464SS..Hα-helixtrans-65.7-42.7177.9740000111.5A2320 V2321 L2327 V2328A2320-S2324 VanDerWaalsContact O-CB 3.3Å; A2320-S2324 WeakPolarHBondContact O-CB 3.43Å; A2320-S2324 PolarHBondContact O-N 3.35Å; A2320-S2324 PolarHBondContact O-OG 3Å; V2321-S2324 PolarHBondContact O-N 2.9Å; V2321-S2324 PolarHBondContact O-OG 3.05Å; S2324-L2327 PolarHBondContact O-N 3.46Å; S2324-V2328 VanDerWaalsContact O-CB 3.31Å; S2324-V2328 WeakPolarHBondContact O-CB 3.35Å; S2324-V2328 WeakPolarHBondContact O-CG2 3.42Å; S2324-V2328 PolarHBondContact O-N 3.14Å
2325V74.2Confident72.6Confident57 Ų5783.8 Ų83.835%0.34548%0.477SS..Hα-helixtrans-63.2-45.3176.7170.20000111.6F2018 V2321 Y2322 V2328 V2329F2018-V2325 HydrophobicContact CE1-CG1 3.78Å; F2018-V2325 HydrophobicContact CZ-CG1 3.5Å; F2018-V2325 VanDerWaalsContact CZ-CG1 3.5Å; V2321-V2325 HydrophobicContact CG1-CG2 4.39Å; V2321-V2325 WeakPolarHBondContact O-CB 3.4Å; V2321-V2325 VanDerWaalsContact O-CG2 3.25Å; V2321-V2325 WeakPolarHBondContact O-CG2 3.47Å; V2321-V2325 PolarHBondContact O-N 3.04Å; Y2322-V2325 PolarHBondContact O-N 3.47Å; V2325-V2328 PolarHBondContact O-N 2.91Å; V2325-V2329 PolarHBondContact O-N 3.29Å
2326I80.7Confident73.3Confident53 Ų5377.4 Ų77.427%0.27246%0.455SS..Hα-helixtrans-66.1-39.7176.3-74-177.6000111.7Y2322 G2330Y2322-I2326 HydrophobicContact CD1-CD1 4.36Å; Y2322-I2326 HydrophobicContact CD2-CD1 4.04Å; Y2322-I2326 HydrophobicContact CE1-CD1 3.77Å; Y2322-I2326 HydrophobicContact CE2-CD1 3.4Å; Y2322-I2326 VanDerWaalsContact CE2-CD1 3.4Å; Y2322-I2326 HydrophobicContact CE2-CG1 4.29Å; Y2322-I2326 HydrophobicContact CG-CD1 4.49Å; Y2322-I2326 PolarHBondContact O-N 3.28Å; Y2322-I2326 WeakPolarHBondContact OH-CD1 3.37Å; I2326-G2330 WeakPolarHBondContact O-CA 3.41Å; I2326-G2330 PolarHBondContact O-N 3.26Å
2327L81.4Confident74Confident115 Ų11581.1 Ų81.160%0.60246%0.464SS*.Hα-helixtrans-67.7-40.1175.9-73.7170.2000111.8L2323 S2324 R2331L2323-L2327 VanDerWaalsContact O-CB 3.26Å; L2323-L2327 WeakPolarHBondContact O-CB 3.41Å; L2323-L2327 WeakPolarHBondContact O-CG 3.21Å; L2323-L2327 PolarHBondContact O-N 3.26Å; S2324-L2327 PolarHBondContact O-N 3.46Å; L2327-R2331 WeakPolarHBondContact O-CA 3.29Å; L2327-R2331 WeakPolarHBondContact O-CB 3.26Å; L2327-R2331 PolarHBondContact O-N 3.11Å
2328V80.2Confident74.6Confident101 Ų10185.8 Ų85.861%0.61247%0.469SS*.Hα-helixtrans-65.2-45.5176.8166.50000111.2S2324 V2325 G2332S2324-V2328 VanDerWaalsContact O-CB 3.31Å; S2324-V2328 WeakPolarHBondContact O-CB 3.35Å; S2324-V2328 WeakPolarHBondContact O-CG2 3.42Å; S2324-V2328 PolarHBondContact O-N 3.14Å; V2325-V2328 PolarHBondContact O-N 2.91Å; V2328-G2332 WeakPolarHBondContact O-CA 3.18Å; V2328-G2332 PolarHBondContact O-N 3.43Å
2329V77.6Confident75.5Confident29 Ų2986.8 Ų86.818%0.17648%0.475CS..Iπ-helixtrans-75.3-39.8179.1172.10000112.2F2018 V2325 L2333 V2334F2018-V2329 HydrophobicContact CD1-CB 4.27Å; F2018-V2329 HydrophobicContact CD1-CG1 3.97Å; F2018-V2329 HydrophobicContact CD1-CG2 4.49Å; F2018-V2329 HydrophobicContact CE1-CB 3.58Å; F2018-V2329 HydrophobicContact CE1-CG1 3.77Å; F2018-V2329 HydrophobicContact CE1-CG2 3.52Å; F2018-V2329 HydrophobicContact CE2-CG2 4.05Å; F2018-V2329 HydrophobicContact CZ-CB 3.9Å; F2018-V2329 HydrophobicContact CZ-CG1 4.16Å; F2018-V2329 HydrophobicContact CZ-CG2 3.26Å; V2325-V2329 PolarHBondContact O-N 3.29Å; V2329-L2333 HydrophobicContact CG1-CB 4.4Å; V2329-L2333 HydrophobicContact CG1-CD1 4.21Å; V2329-L2333 HydrophobicContact CG2-CD1 4.07Å; V2329-L2333 PolarHBondContact O-N 3.32Å; V2329-L2333 VanDerWaalsContact O-N 3.17Å; V2329-V2334 HydrophobicContact CG1-CG2 4.38Å; V2329-V2334 PolarHBondContact O-N 3.22Å
2330G78.2Confident75.7Confident37 Ų3784.5 Ų84.538%0.38147%0.467SS..Iπ-helixtrans-64.8-45.2176.200000113I2326 R2335I2326-G2330 WeakPolarHBondContact O-CA 3.41Å; I2326-G2330 PolarHBondContact O-N 3.26Å; G2330-R2335 WeakPolarHBondContact O-CB 3.35Å; G2330-R2335 PolarHBondContact O-N 3.01Å
2331R78.1Confident75.9Confident194 Ų19484.6 Ų84.673%0.73246%0.464SS*.Iπ-helixtrans-84.2-41-179.2-170.6-177.8171.4100.31.9113.1L2327L2327-R2331 WeakPolarHBondContact O-CA 3.29Å; L2327-R2331 WeakPolarHBondContact O-CB 3.26Å; L2327-R2331 PolarHBondContact O-N 3.11Å
2332G69.7Low76.6Confident51 Ų5184.9 Ų84.953%0.52647%0.467SS..Iπ-helixtrans-84.2-54.8-173.500000113.5V2328 G2336V2328-G2332 WeakPolarHBondContact O-CA 3.18Å; V2328-G2332 PolarHBondContact O-N 3.43Å; G2332-G2336 WeakPolarHBondContact O-CA 3.35Å
2333L69.7Low77Confident109 Ų10985.8 Ų85.857%0.57148%0.484SS*.Iπ-helixtrans-84.5-64.2-177-71.3170.7000111.9V2329 G2336 I2337V2329-L2333 HydrophobicContact CG1-CB 4.4Å; V2329-L2333 HydrophobicContact CG1-CD1 4.21Å; V2329-L2333 HydrophobicContact CG2-CD1 4.07Å; V2329-L2333 PolarHBondContact O-N 3.32Å; V2329-L2333 VanDerWaalsContact O-N 3.17Å; L2333-G2336 PolarHBondContact O-N 3.39Å; L2333-I2337 WeakPolarHBondContact O-CD1 3.44Å; L2333-I2337 WeakPolarHBondContact O-CG1 3.26Å; L2333-I2337 PolarHBondContact O-N 3.31Å; L2333-I2337 VanDerWaalsContact O-N 3.14Å
2334V75.3Confident77.3Confident61 Ų6183.8 Ų83.837%0.3748%0.475SS..Iπ-helixtrans-66.5-55.6-170.9-178.90000110.7V2329 G2336 F2338V2329-V2334 HydrophobicContact CG1-CG2 4.38Å; V2329-V2334 PolarHBondContact O-N 3.22Å; V2334-G2336 VanDerWaalsContact C-N 3.3Å; V2334-G2336 PolarHBondContact O-N 2.98Å; V2334-F2338 HydrophobicContact CG1-CD2 4.19Å; V2334-F2338 HydrophobicContact CG1-CE2 4.12Å; V2334-F2338 WeakPolarHBondContact O-CD2 3.49Å; V2334-F2338 PolarHBondContact O-N 3.44Å
2335R78Confident77.6Confident155 Ų15584.2 Ų84.259%0.58548%0.475SS*.Hα-helixtrans-66.4-32.2178.2-174.2174.1-176.8144.21.7112.3G2330 T2339G2330-R2335 WeakPolarHBondContact O-CB 3.35Å; G2330-R2335 PolarHBondContact O-N 3.01Å; R2335-T2339 HydrophobicContact CG-CG2 3.67Å; R2335-T2339 WeakPolarHBondContact O-CB 3.45Å; R2335-T2339 WeakPolarHBondContact O-CG2 3.42Å; R2335-T2339 PolarHBondContact O-N 3.26Å; R2335-T2339 PolarHBondContact O-OG1 2.79Å
2336G75.4Confident78.1Confident20 Ų2085.4 Ų85.421%0.20648%0.478CS..Hα-helixtrans-53.7-61.6174.200000111.4G2332 L2333 V2334 F2338 T2339 T2340G2332-G2336 WeakPolarHBondContact O-CA 3.35Å; L2333-G2336 PolarHBondContact O-N 3.39Å; V2334-G2336 VanDerWaalsContact C-N 3.3Å; V2334-G2336 PolarHBondContact O-N 2.98Å; G2336-F2338 VanDerWaalsContact C-N 3.31Å; G2336-F2338 PolarHBondContact O-N 3.15Å; G2336-T2339 PolarHBondContact O-N 3.47Å; G2336-T2340 PolarHBondContact O-N 3.27Å; G2336-T2340 PolarHBondContact O-OG1 3.13Å; G2336-T2340 VanDerWaalsContact O-OG1 3.06Å
2337I73.7Confident78.2Confident116 Ų11685.7 Ų85.760%0.59548%0.477SS*.Hα-helixtrans-53.2-44.3-177.7-65.9163.3000112.5L2333L2333-I2337 WeakPolarHBondContact O-CD1 3.44Å; L2333-I2337 WeakPolarHBondContact O-CG1 3.26Å; L2333-I2337 PolarHBondContact O-N 3.31Å; L2333-I2337 VanDerWaalsContact O-N 3.14Å
2338F77Confident78.4Confident153 Ų15382.6 Ų82.667%0.67146%0.463SS*.Hα-helixtrans-81.4-25.5-177.1-67.4-64.2000114.5V2334 G2336V2334-F2338 HydrophobicContact CG1-CD2 4.19Å; V2334-F2338 HydrophobicContact CG1-CE2 4.12Å; V2334-F2338 WeakPolarHBondContact O-CD2 3.49Å; V2334-F2338 PolarHBondContact O-N 3.44Å; G2336-F2338 VanDerWaalsContact C-N 3.31Å; G2336-F2338 PolarHBondContact O-N 3.15Å
2339T79.3Confident78.6Confident80 Ų8083.8 Ų83.849%0.49146%0.462SS..Hα-helixtrans-93.8-23.8-177.258.70000114.4R2335 G2336R2335-T2339 HydrophobicContact CG-CG2 3.67Å; R2335-T2339 WeakPolarHBondContact O-CB 3.45Å; R2335-T2339 WeakPolarHBondContact O-CG2 3.42Å; R2335-T2339 PolarHBondContact O-N 3.26Å; R2335-T2339 PolarHBondContact O-OG1 2.79Å; G2336-T2339 PolarHBondContact O-N 3.47Å
2340T74.6Confident79.1Confident74 Ų7482.7 Ų82.745%0.45446%0.455SS..Hα-helixtrans-86.8-17.1175.261.90000113.6G2336 S2343 T2344G2336-T2340 PolarHBondContact O-N 3.27Å; G2336-T2340 PolarHBondContact O-OG1 3.13Å; G2336-T2340 VanDerWaalsContact O-OG1 3.06Å; T2340-S2343 PolarHBondContact O-N 3.49Å; T2340-S2343 PolarHBondContact O-OG 3.45Å; T2340-T2344 PolarHBondContact O-N 3.43Å; T2340-T2344 PolarHBondContact O-OG1 2.98Å
2341S76.4Confident79.4Confident66 Ų6684 Ų8446%0.46246%0.457SS..Hα-helixtrans-58-46.4-179.6175.60000112.9S2343 T2344 V2345S2341-S2343 PolarHBondContact O-N 3.41Å; S2341-T2344 PolarHBondContact O-N 3.06Å; S2341-T2344 PolarHBondContact O-OG1 2.92Å; S2341-V2345 WeakPolarHBondContact O-CG2 3.45Å; S2341-V2345 PolarHBondContact O-N 3.26Å
2342P81.6Confident79.7Confident94 Ų9476 Ų7661%0.6143%0.429SS*.Hα-helixtrans-62.1-35.1178.1-24.735.9000114.7T2344P2342-T2344 VanDerWaalsContact C-N 3.32Å
2343S80.9Confident80.5Confident86 Ų8673.6 Ų73.660%0.60140%0.404SS*.Hα-helixtrans-77.3-17.7179.454.40000113.4T2340 S2341T2340-S2343 PolarHBondContact O-N 3.49Å; T2340-S2343 PolarHBondContact O-OG 3.45Å; S2341-S2343 PolarHBondContact O-N 3.41Å
2344T83.4Confident81.1Confident49 Ų4970.3 Ų70.330%0.30139%0.387SS..Hα-helixtrans-97.5-5.6178.450.80000113.7T2340 S2341 P2342 M2346 F2347 T2348T2340-T2344 PolarHBondContact O-N 3.43Å; T2340-T2344 PolarHBondContact O-OG1 2.98Å; S2341-T2344 PolarHBondContact O-N 3.06Å; S2341-T2344 PolarHBondContact O-OG1 2.92Å; P2342-T2344 VanDerWaalsContact C-N 3.32Å; T2344-M2346 PolarHBondContact O-N 3Å; T2344-F2347 PolarHBondContact O-N 3.44Å; T2344-T2348 WeakPolarHBondContact O-CG2 3.49Å; T2344-T2348 PolarHBondContact O-N 3.17Å; T2344-T2348 PolarHBondContact O-OG1 3.49Å
2345V84.8Confident81.4Confident68 Ų6868 Ų6841%0.41237%0.372SS..Hα-helixtrans-51.8-42.2179.31760000112.1S2341 F2347 T2348 E2349S2341-V2345 WeakPolarHBondContact O-CG2 3.45Å; S2341-V2345 PolarHBondContact O-N 3.26Å; V2345-F2347 PolarHBondContact O-N 3.39Å; V2345-F2347 VanDerWaalsContact O-N 3.17Å; V2345-T2348 VanDerWaalsContact CA-OG1 3.3Å; V2345-T2348 WeakPolarHBondContact CA-OG1 3.39Å; V2345-T2348 PolarHBondContact O-N 3.5Å; V2345-T2348 PolarHBondContact O-OG1 3.07Å; V2345-E2349 HydrophobicContact CG1-CB 4.26Å; V2345-E2349 HydrophobicContact CG1-CG 4.12Å; V2345-E2349 PolarHBondContact O-N 2.86Å
2346M84.7Confident81.8Confident83 Ų8360.6 Ų60.641%0.40934%0.344SS..Hα-helixtrans-54.8-33.2178.9-178.7-177.2-65.600114T2344 L2350 P2389 L2392T2344-M2346 PolarHBondContact O-N 3Å; M2346-L2350 WeakPolarHBondContact O-CD2 3.44Å; M2346-P2389 HydrophobicContact CE-CB 3.57Å; M2346-P2389 HydrophobicContact CE-CG 3.45Å; M2346-P2389 VanDerWaalsContact CE-CG 3.45Å; M2346-P2389 HydrophobicContact CG-CB 4.34Å; M2346-P2389 HydrophobicContact SD-CB 3.64Å; M2346-P2389 HydrophobicContact SD-CG 3.5Å; M2346-P2389 WeakPolarHBondContact SD-CG 3.33Å; M2346-L2392 HydrophobicContact CG-CD2 4.18Å
2347F83.1Confident82.3Confident59 Ų5960 Ų6026%0.25934%0.336SS..Hα-helixtrans-100.4-21.5-179.5-50.3-57.7000112.6H1977 I1981 T2344 V2345 L2350 F2386 L2392H1977-F2347 PolarHBondContact CE1-O 3.29Å; I1981-F2347 WeakPolarHBondContact CD1-O 3.23Å; T2344-F2347 PolarHBondContact O-N 3.44Å; V2345-F2347 PolarHBondContact O-N 3.39Å; V2345-F2347 VanDerWaalsContact O-N 3.17Å; F2347-L2350 WeakPolarHBondContact O-CD1 3.49Å; F2347-F2386 AromaticContact CD1-CD1 3.75Å; F2347-F2386 HydrophobicContact CD1-CD1 3.75Å; F2347-F2386 AromaticContact CD1-CE1 3.99Å; F2347-F2386 HydrophobicContact CD1-CE1 3.99Å; F2347-F2386 AromaticContact CE1-CD1 3.81Å; F2347-F2386 HydrophobicContact CE1-CD1 3.81Å; F2347-L2392 HydrophobicContact CD1-CD2 3.96Å; F2347-L2392 HydrophobicContact CE1-CD2 4.19Å
2348T83.7Confident82.6Confident50 Ų5055.2 Ų55.231%0.30731%0.311SS..Hα-helixtrans-93-35-175.149.30000113.2T2344 V2345 L2350T2344-T2348 WeakPolarHBondContact O-CG2 3.49Å; T2344-T2348 PolarHBondContact O-N 3.17Å; T2344-T2348 PolarHBondContact O-OG1 3.49Å; V2345-T2348 VanDerWaalsContact CA-OG1 3.3Å; V2345-T2348 WeakPolarHBondContact CA-OG1 3.39Å; V2345-T2348 PolarHBondContact O-N 3.5Å; V2345-T2348 PolarHBondContact O-OG1 3.07Å; T2348-L2350 VanDerWaalsContact C-N 3.29Å; T2348-L2350 PolarHBondContact O-N 3.15Å
2349E85.4Confident83Confident125 Ų12548.2 Ų48.258%0.58428%0.281SS*.  trans-93.642.9-178.4-67.2-64177.300113.5R1985 V2345R1985-E2349 IonicContact CZ-OE2 3.82Å; R1985-E2349 IonicContact NH1-OE2 3.13Å; R1985-E2349 IonicContact NH2-OE2 2.7Å; R1985-E2349 PolarHBondContact NH2-OE2 3.22Å; V2345-E2349 HydrophobicContact CG1-CB 4.26Å; V2345-E2349 HydrophobicContact CG1-CG 4.12Å; V2345-E2349 PolarHBondContact O-N 2.86Å
2350L87.8Confident83.4Confident6 Ų644.4 Ų44.43%0.03126%0.257CS..  trans-77.4128.2172.5-58177.3000109.7I1981 R1985 M2346 F2347 T2348 L2356 L2392 T2396I1981-L2350 HydrophobicContact CD1-CD1 4.14Å; R1985-L2350 PolarHBondContact NE-O 3.26Å; R1985-L2350 PolarHBondContact NH2-O 3.04Å; M2346-L2350 WeakPolarHBondContact O-CD2 3.44Å; F2347-L2350 WeakPolarHBondContact O-CD1 3.49Å; T2348-L2350 VanDerWaalsContact C-N 3.29Å; T2348-L2350 PolarHBondContact O-N 3.15Å; L2350-L2356 HydrophobicContact CD1-CD1 3.54Å; L2350-L2392 HydrophobicContact CD1-CD1 4.12Å; L2350-L2392 HydrophobicContact CD2-CD1 3.8Å; L2350-L2392 HydrophobicContact CD2-CD2 4.18Å; L2350-L2392 HydrophobicContact CD2-CG 3.9Å; L2350-T2396 HydrophobicContact CD2-CG2 4.27Å
2351P84.8Confident83.7Confident64 Ų6442.6 Ų42.642%0.41625%0.245SC..SBendtrans-82.4-38-176.723.7-21.1000112.8T2396 M2398P2351-T2396 WeakPolarHBondContact CD-O 3.5Å; P2351-T2396 VanDerWaalsContact CG-O 3.31Å; P2351-T2396 WeakPolarHBondContact CG-O 3.47Å; P2351-M2398 HydrophobicContact CB-CG 4.05Å
2352N84.1Confident84Confident26 Ų2640.3 Ų40.314%0.13923%0.227CC..  trans-120.7120.4167.2-176.36.7000110D2354 H2355 T2396 M2398N2352-D2354 VanDerWaalsContact OD1-CB 3.27Å; N2352-D2354 WeakPolarHBondContact OD1-CB 3.19Å; N2352-D2354 VanDerWaalsContact OD1-CG 3.23Å; N2352-D2354 PolarHBondContact OD1-N 3.21Å; N2352-D2354 PolarHBondContact OD1-OD1 3.26Å; N2352-H2355 PolarHBondContact ND2-CD2 2.92Å; N2352-H2355 PolarHBondContact ND2-NE2 3.1Å; N2352-T2396 WeakPolarHBondContact CB-O 3.37Å; N2352-T2396 PolarHBondContact N-O 2.96Å; N2352-T2396 WeakPolarHBondContact O-CB 3.45Å; N2352-T2396 WeakPolarHBondContact O-CG2 3.02Å; N2352-M2398 HydrophobicContact CB-SD 4.16Å
2353A86.2Confident84.3Confident2 Ų235.9 Ų35.92%0.01720%0.198CC..  trans-99.3-3.8179.700000113.3I1978 I1981 H2355 L2356 L2357I1978-A2353 HydrophobicContact CG2-CB 4.36Å; I1981-A2353 HydrophobicContact CB-CB 4.4Å; I1981-A2353 HydrophobicContact CG2-CB 3.98Å; A2353-H2355 PolarHBondContact O-N 3.11Å; A2353-L2356 WeakPolarHBondContact O-CB 3.35Å; A2353-L2356 PolarHBondContact O-N 2.98Å; A2353-L2357 PolarHBondContact O-N 3.29Å
2354D82.5Confident84.3Confident39 Ų3933.4 Ų33.421%0.20918%0.176CC..Hα-helixtrans-71.7-36.4-163.8-63.96.3000112.3L1377 K1982 N2352 L2356 L2357 K2358L1377-D2354 HydrophobicContact CD2-CB 3.85Å; K1982-D2354 WeakPolarHBondContact CD-OD1 3.44Å; K1982-D2354 WeakPolarHBondContact CE-OD1 3.43Å; K1982-D2354 IonicContact NZ-OD1 3.69Å; K1982-D2354 PolarHBondContact NZ-OD1 2.87Å; K1982-D2354 IonicContact NZ-OD2 2.67Å; K1982-D2354 PolarHBondContact NZ-OD2 2.92Å; N2352-D2354 VanDerWaalsContact OD1-CB 3.27Å; N2352-D2354 WeakPolarHBondContact OD1-CB 3.19Å; N2352-D2354 VanDerWaalsContact OD1-CG 3.23Å; N2352-D2354 PolarHBondContact OD1-N 3.21Å; N2352-D2354 PolarHBondContact OD1-OD1 3.26Å; D2354-L2356 VanDerWaalsContact C-N 3.33Å; D2354-L2356 PolarHBondContact O-N 2.92Å; D2354-L2357 PolarHBondContact O-N 2.9Å; D2354-K2358 WeakPolarHBondContact O-CB 3.28Å; D2354-K2358 PolarHBondContact O-N 3.23Å
2355H81.5Confident84.1Confident12 Ų1231.7 Ų31.76%0.05617%0.165CC..Hα-helixtrans-64.2-36.6175.1-54.3-67.3000112P1372 N2352 A2353 I2359 W2395P1372-H2355 PolarHBondContact O-CE1 3.01Å; P1372-H2355 VanDerWaalsContact O-CE1 3.31Å; P1372-H2355 PolarHBondContact O-ND1 3.22Å; N2352-H2355 PolarHBondContact ND2-CD2 2.92Å; N2352-H2355 PolarHBondContact ND2-NE2 3.1Å; A2353-H2355 PolarHBondContact O-N 3.11Å; H2355-I2359 PolarHBondContact O-N 3.46Å; H2355-W2395 HydrophobicContact CB-CD2 4.19Å; H2355-W2395 HydrophobicContact CB-CE3 3.67Å; H2355-W2395 HydrophobicContact CB-CH2 3.57Å; H2355-W2395 HydrophobicContact CB-CZ2 4.11Å; H2355-W2395 HydrophobicContact CB-CZ3 3.36Å; H2355-W2395 PolarHBondContact CD2-O 3.3Å; H2355-W2395 VanDerWaalsContact O-CH2 3.26Å; H2355-W2395 WeakPolarHBondContact O-CH2 3.05Å; H2355-W2395 VanDerWaalsContact O-CZ3 3.27Å; H2355-W2395 WeakPolarHBondContact O-CZ3 3.41Å
2356L87.2Confident84.1Confident0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-69.6-43.2175.3-62.3173.8000111.4I1978 L2350 A2353 D2354 K2358 I2359 C2360 L2385 L2392 W2395 T2396I1978-L2356 HydrophobicContact CD1-CB 3.8Å; I1978-L2356 HydrophobicContact CG1-CB 4.11Å; I1978-L2356 HydrophobicContact CG1-CD1 4.4Å; I1978-L2356 HydrophobicContact CG2-CB 4.05Å; L2350-L2356 HydrophobicContact CD1-CD1 3.54Å; A2353-L2356 WeakPolarHBondContact O-CB 3.35Å; A2353-L2356 PolarHBondContact O-N 2.98Å; D2354-L2356 VanDerWaalsContact C-N 3.33Å; D2354-L2356 PolarHBondContact O-N 2.92Å; L2356-K2358 VanDerWaalsContact C-N 3.27Å; L2356-K2358 PolarHBondContact O-N 3.47Å; L2356-I2359 PolarHBondContact O-N 2.97Å; L2356-C2360 PolarHBondContact O-N 2.94Å; L2356-L2385 HydrophobicContact CD2-CD1 4.08Å; L2356-L2385 HydrophobicContact CD2-CD2 3.49Å; L2356-L2385 VanDerWaalsContact CD2-CD2 3.49Å; L2356-L2385 HydrophobicContact CD2-CG 4.44Å; L2356-L2392 HydrophobicContact CD1-CD1 3.97Å; L2356-L2392 HydrophobicContact CD2-CD1 4.33Å; L2356-W2395 HydrophobicContact CD2-CE3 4.03Å; L2356-W2395 HydrophobicContact CD2-CZ3 3.97Å; L2356-W2395 HydrophobicContact CG-CZ3 4.46Å; L2356-T2396 HydrophobicContact CD1-CG2 3.89Å; L2356-T2396 HydrophobicContact CG-CG2 4.13Å
2357L85.4Confident84.1Confident7 Ų725.2 Ų25.24%0.03713%0.129CC..Hα-helixtrans-62.2-38.9178-173.259.4000111.1Y1930 Y1975 I1978 K1982 A2353 D2354 C2360 L2361Y1930-L2357 HydrophobicContact CE1-CD2 3.76Å; Y1930-L2357 WeakPolarHBondContact OH-CD2 3.28Å; Y1975-L2357 HydrophobicContact CD2-CD1 3.92Å; Y1975-L2357 HydrophobicContact CE2-CD1 3.58Å; I1978-L2357 HydrophobicContact CG2-CB 3.8Å; I1978-L2357 HydrophobicContact CG2-CD1 4.15Å; K1982-L2357 HydrophobicContact CB-CD2 4.3Å; K1982-L2357 HydrophobicContact CG-CD2 4.01Å; A2353-L2357 PolarHBondContact O-N 3.29Å; D2354-L2357 PolarHBondContact O-N 2.9Å; L2357-C2360 PolarHBondContact O-N 3.02Å; L2357-L2361 HydrophobicContact CG-CD1 4.26Å; L2357-L2361 WeakPolarHBondContact O-CG 3.31Å; L2357-L2361 PolarHBondContact O-N 3.13Å
2358K81.1Confident83.8Confident16 Ų1625.5 Ų25.57%0.0713%0.131CC..Hα-helixtrans-57.2-49.5172.7177.4171.4172.6170.90112D1375 D1376 V1378 D2354 L2356 C2360 L2361 D2362D1375-K2358 PolarHBondContact O-NZ 3.28Å; D1376-K2358 PolarHBondContact O-NZ 3.43Å; V1378-K2358 HydrophobicContact CG2-CD 4.09Å; V1378-K2358 HydrophobicContact CG2-CG 4.23Å; D2354-K2358 WeakPolarHBondContact O-CB 3.28Å; D2354-K2358 PolarHBondContact O-N 3.23Å; L2356-K2358 VanDerWaalsContact C-N 3.27Å; L2356-K2358 PolarHBondContact O-N 3.47Å; K2358-C2360 VanDerWaalsContact C-N 3.29Å; K2358-C2360 PolarHBondContact O-N 2.97Å; K2358-L2361 PolarHBondContact O-N 2.92Å; K2358-L2361 VanDerWaalsContact O-N 3.1Å; K2358-D2362 WeakPolarHBondContact O-CB 3.4Å; K2358-D2362 PolarHBondContact O-N 3.06Å
2359I85Confident83.6Confident7 Ų725.6 Ų25.64%0.03614%0.137CC..Hα-helixtrans-56.9-43.3175.8-67176.1000111.3H2355 L2356 L2361 D2362 I2363 L2382 W2395H2355-I2359 PolarHBondContact O-N 3.46Å; L2356-I2359 PolarHBondContact O-N 2.97Å; I2359-L2361 PolarHBondContact O-N 2.86Å; I2359-D2362 PolarHBondContact O-N 2.93Å; I2359-I2363 HydrophobicContact CG2-CD1 3.99Å; I2359-I2363 VanDerWaalsContact O-CG1 3.29Å; I2359-I2363 WeakPolarHBondContact O-CG1 3.35Å; I2359-I2363 PolarHBondContact O-N 3.42Å; I2359-L2382 HydrophobicContact CB-CD1 4.4Å; I2359-L2382 HydrophobicContact CG2-CB 4.07Å; I2359-L2382 HydrophobicContact CG2-CD1 4.01Å; I2359-L2382 HydrophobicContact CG2-CG 4.46Å; I2359-W2395 HydrophobicContact CD1-CH2 3.33Å; I2359-W2395 HydrophobicContact CD1-CZ2 4.21Å; I2359-W2395 HydrophobicContact CD1-CZ3 3.64Å; I2359-W2395 HydrophobicContact CG1-CH2 3.79Å; I2359-W2395 HydrophobicContact CG1-CZ3 4.31Å
2360C87.5Confident83.5Confident0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-63.4-41.4177.3-64.70000112.6Y1975 L2356 L2357 K2358 I2363 Y2364Y1975-C2360 HydrophobicContact CD2-CB 3.69Å; Y1975-C2360 HydrophobicContact CG-CB 4.44Å; L2356-C2360 PolarHBondContact O-N 2.94Å; L2357-C2360 PolarHBondContact O-N 3.02Å; K2358-C2360 VanDerWaalsContact C-N 3.29Å; K2358-C2360 PolarHBondContact O-N 2.97Å; C2360-I2363 PolarHBondContact O-N 3.35Å; C2360-Y2364 WeakPolarHBondContact O-CD2 3.34Å; C2360-Y2364 PolarHBondContact O-N 2.84Å
2361L81.2Confident83.4Confident36 Ų3626.3 Ų26.319%0.18814%0.139CC..Hα-helixtrans-66.6-39.3175.9-68.9172.9000112.3Y1975 L2357 K2358 I2359 I2363 Y2364 L2365Y1975-L2361 HydrophobicContact CE2-CD2 4.45Å; L2357-L2361 HydrophobicContact CG-CD1 4.26Å; L2357-L2361 WeakPolarHBondContact O-CG 3.31Å; L2357-L2361 PolarHBondContact O-N 3.13Å; K2358-L2361 PolarHBondContact O-N 2.92Å; K2358-L2361 VanDerWaalsContact O-N 3.1Å; I2359-L2361 PolarHBondContact O-N 2.86Å; L2361-I2363 VanDerWaalsContact C-N 3.35Å; L2361-I2363 PolarHBondContact O-N 3.44Å; L2361-Y2364 PolarHBondContact O-N 2.96Å; L2361-L2365 WeakPolarHBondContact O-CB 3.43Å; L2361-L2365 PolarHBondContact O-N 2.98Å
2362D82.4Confident83.5Confident18 Ų1826.6 Ų26.610%0.09613%0.133CC..Hα-helixtrans-62.1-41.9175.3-67.4-22000110.5I1334 K2358 I2359 Y2364 L2365 V2366 L2378I1334-D2362 HydrophobicContact CD1-CB 4.06Å; K2358-D2362 WeakPolarHBondContact O-CB 3.4Å; K2358-D2362 PolarHBondContact O-N 3.06Å; I2359-D2362 PolarHBondContact O-N 2.93Å; D2362-Y2364 PolarHBondContact O-N 3.48Å; D2362-L2365 PolarHBondContact O-N 3.11Å; D2362-V2366 VanDerWaalsContact O-CB 3.26Å; D2362-V2366 WeakPolarHBondContact O-CB 3.39Å; D2362-V2366 WeakPolarHBondContact O-CG2 3.24Å; D2362-V2366 PolarHBondContact O-N 3.1Å; D2362-L2378 HydrophobicContact CB-CD1 4.12Å
2363I86.9Confident83.5Confident0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-61.2-42.2174.3-65163.9000111.4M1963 M1971 I2359 C2360 L2361 R2367 E2375 L2378 F2379 L2382M1963-I2363 HydrophobicContact CE-CG2 3.67Å; M1971-I2363 HydrophobicContact CE-CB 3.89Å; M1971-I2363 HydrophobicContact CE-CG2 3.37Å; I2359-I2363 HydrophobicContact CG2-CD1 3.99Å; I2359-I2363 VanDerWaalsContact O-CG1 3.29Å; I2359-I2363 WeakPolarHBondContact O-CG1 3.35Å; I2359-I2363 PolarHBondContact O-N 3.42Å; C2360-I2363 PolarHBondContact O-N 3.35Å; L2361-I2363 VanDerWaalsContact C-N 3.35Å; L2361-I2363 PolarHBondContact O-N 3.44Å; I2363-R2367 WeakPolarHBondContact O-CB 3.36Å; I2363-R2367 PolarHBondContact O-N 2.67Å; I2363-E2375 HydrophobicContact CG2-CG 4.27Å; I2363-L2378 HydrophobicContact CD1-CB 4.23Å; I2363-L2378 HydrophobicContact CG1-CB 3.61Å; I2363-L2378 HydrophobicContact CG1-CD1 4.32Å; I2363-F2379 HydrophobicContact CD1-CB 4.42Å; I2363-L2382 HydrophobicContact CD1-CD2 4.2Å
2364Y82.4Confident83.5Confident34 Ų3431.8 Ų31.813%0.13316%0.158CC..Hα-helixtrans-64.9-41.2175.7-69.9-61.6000112.5M1971 E1972 Y1975 C2360 L2361 D2362 R2367 E2368M1971-Y2364 HydrophobicContact CE-CD1 3.81Å; M1971-Y2364 HydrophobicContact CE-CD2 4.35Å; M1971-Y2364 HydrophobicContact CE-CE1 3.58Å; M1971-Y2364 HydrophobicContact CE-CE2 4.14Å; M1971-Y2364 HydrophobicContact CE-CG 4.18Å; M1971-Y2364 HydrophobicContact SD-CE1 4.14Å; E1972-Y2364 WeakPolarHBondContact OE1-CE1 3.37Å; E1972-Y2364 PolarHBondContact OE1-OH 3.43Å; E1972-Y2364 VanDerWaalsContact OE1-OH 3.1Å; E1972-Y2364 PolarHBondContact OE2-OH 3.02Å; Y1975-Y2364 HydrophobicContact CD1-CE2 4.21Å; Y1975-Y2364 WeakPolarHBondContact CD1-OH 3.46Å; Y1975-Y2364 AromaticContact CD2-CE2 3.97Å; Y1975-Y2364 HydrophobicContact CD2-CE2 3.97Å; Y1975-Y2364 HydrophobicContact CE1-CE2 4.33Å; Y1975-Y2364 HydrophobicContact CE2-CE2 4.07Å; Y1975-Y2364 HydrophobicContact CG-CE2 4.03Å; C2360-Y2364 WeakPolarHBondContact O-CD2 3.34Å; C2360-Y2364 PolarHBondContact O-N 2.84Å; L2361-Y2364 PolarHBondContact O-N 2.96Å; D2362-Y2364 PolarHBondContact O-N 3.48Å; Y2364-R2367 PolarHBondContact O-N 3.17Å; Y2364-E2368 PolarHBondContact O-N 2.71Å
2365L78.4Confident83.7Confident14 Ų1429.9 Ų29.97%0.07315%0.148CC..Hα-helixtrans-66.8-43.4179.8-178.4151.8000111.5I1327 R1330 T1331 I1334 L2361 D2362 R2367 E2368 A2369I1327-L2365 HydrophobicContact CG1-CD1 4.44Å; I1327-L2365 HydrophobicContact CG2-CD1 4.28Å; I1327-L2365 HydrophobicContact CG2-CG 4.21Å; R1330-L2365 HydrophobicContact CB-CD1 4.32Å; T1331-L2365 WeakPolarHBondContact OG1-CD2 3.33Å; I1334-L2365 HydrophobicContact CD1-CD2 4.19Å; L2361-L2365 WeakPolarHBondContact O-CB 3.43Å; L2361-L2365 PolarHBondContact O-N 2.98Å; D2362-L2365 PolarHBondContact O-N 3.11Å; L2365-R2367 VanDerWaalsContact C-N 3.32Å; L2365-R2367 PolarHBondContact O-N 3.46Å; L2365-E2368 PolarHBondContact O-N 2.91Å; L2365-A2369 WeakPolarHBondContact O-CB 3.33Å; L2365-A2369 PolarHBondContact O-N 3.42Å
2366V83.8Confident84Confident0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-64-36.3175.6166.10000111.8D2362 A2369 K2370 D2371 L2374 E2375 L2378D2362-V2366 VanDerWaalsContact O-CB 3.26Å; D2362-V2366 WeakPolarHBondContact O-CB 3.39Å; D2362-V2366 WeakPolarHBondContact O-CG2 3.24Å; D2362-V2366 PolarHBondContact O-N 3.1Å; V2366-A2369 CarbonylContact O-C 3.51Å; V2366-A2369 PolarHBondContact O-N 2.95Å; V2366-K2370 PolarHBondContact O-N 3.02Å; V2366-K2370 VanDerWaalsContact O-N 3.14Å; V2366-D2371 HydrophobicContact CG1-CB 4.15Å; V2366-D2371 WeakPolarHBondContact CG1-O 3.38Å; V2366-D2371 PolarHBondContact O-N 3.33Å; V2366-D2371 VanDerWaalsContact O-N 3.09Å; V2366-L2374 HydrophobicContact CG1-CB 3.77Å; V2366-L2374 HydrophobicContact CG1-CD2 4.16Å; V2366-L2374 HydrophobicContact CG1-CG 3.95Å; V2366-L2374 HydrophobicContact CG2-CD2 3.67Å; V2366-L2374 HydrophobicContact CG2-CG 4.01Å; V2366-E2375 HydrophobicContact CG1-CB 4.14Å; V2366-L2378 HydrophobicContact CG2-CD1 4Å
2367R86.5Confident83.8Confident14 Ų1432.5 Ų32.55%0.05316%0.162CC..Hα-helixtrans-64.8-46.8172.4-176.2-175.5-64.4158.6-2.8112.5T1959 I2363 Y2364 L2365 A2369 K2370 E2375T1959-R2367 HydrophobicContact CG2-CG 4.2Å; I2363-R2367 WeakPolarHBondContact O-CB 3.36Å; I2363-R2367 PolarHBondContact O-N 2.67Å; Y2364-R2367 PolarHBondContact O-N 3.17Å; L2365-R2367 VanDerWaalsContact C-N 3.32Å; L2365-R2367 PolarHBondContact O-N 3.46Å; R2367-A2369 VanDerWaalsContact C-N 3.29Å; R2367-A2369 PolarHBondContact O-N 3.26Å; R2367-K2370 PolarHBondContact O-N 2.88Å; R2367-E2375 IonicContact CZ-OE1 3.01Å; R2367-E2375 IonicContact NE-OE1 2.75Å; R2367-E2375 PolarHBondContact NE-OE1 2.05Å; R2367-E2375 IonicContact NH2-OE1 3.83Å; R2367-E2375 PolarHBondContact NH2-OE1 3.48Å
2368E76.4Confident83.9Confident66 Ų6632.6 Ų32.631%0.30816%0.162SC..Hα-helixtrans-64.5-33.6175.2-78-148.8166.900112.3L1920 C1921 I1922 Y2364 L2365 K2370L1920-E2368 VanDerWaalsContact CD2-OE2 3.31Å; L1920-E2368 WeakPolarHBondContact CD2-OE2 3.47Å; L1920-E2368 VanDerWaalsContact CG-OE2 3.3Å; L1920-E2368 WeakPolarHBondContact CG-OE2 3.16Å; C1921-E2368 PolarHBondContact N-OE1 3.34Å; I1922-E2368 HydrophobicContact CD1-CG 4.33Å; I1922-E2368 HydrophobicContact CG1-CG 3.91Å; I1922-E2368 VanDerWaalsContact CG1-OE2 3.3Å; I1922-E2368 WeakPolarHBondContact CG1-OE2 3.47Å; I1922-E2368 PolarHBondContact N-OE1 3.1Å; Y2364-E2368 PolarHBondContact O-N 2.71Å; L2365-E2368 PolarHBondContact O-N 2.91Å; E2368-K2370 PolarHBondContact O-N 3.19Å
2369A79.3Confident84.3Confident51 Ų5131.9 Ų31.942%0.42116%0.159SC..THydrogen-bonded Turntrans-72.9-5.7172.800000114.3T1331 L2365 V2366 R2367 D2371T1331-A2369 HydrophobicContact CG2-CB 3.85Å; L2365-A2369 WeakPolarHBondContact O-CB 3.33Å; L2365-A2369 PolarHBondContact O-N 3.42Å; V2366-A2369 CarbonylContact O-C 3.51Å; V2366-A2369 PolarHBondContact O-N 2.95Å; R2367-A2369 VanDerWaalsContact C-N 3.29Å; R2367-A2369 PolarHBondContact O-N 3.26Å; A2369-D2371 VanDerWaalsContact C-N 3.31Å; A2369-D2371 PolarHBondContact O-N 3.35Å
2370K83.3Confident84.4Confident122 Ų12231.7 Ų31.753%0.5316%0.158SC..THydrogen-bonded Turntrans59.929.1-178.2-50.5-165.8-178.5-1590115.3D1960 V2366 R2367 E2368 F2372D1960-K2370 WeakPolarHBondContact OD2-CE 3.43Å; D1960-K2370 IonicContact OD2-NZ 2.87Å; D1960-K2370 PolarHBondContact OD2-NZ 2.99Å; V2366-K2370 PolarHBondContact O-N 3.02Å; V2366-K2370 VanDerWaalsContact O-N 3.14Å; R2367-K2370 PolarHBondContact O-N 2.88Å; E2368-K2370 PolarHBondContact O-N 3.19Å; K2370-F2372 HydrophobicContact CB-CE2 4.34Å; K2370-F2372 HydrophobicContact CB-CZ 4.06Å; K2370-F2372 HydrophobicContact CG-CZ 4.5Å; K2370-F2372 PolarHBondContact O-N 3.07Å
2371D85.2Confident84.4Confident24 Ų2432 Ų3213%0.12816%0.16CC..  trans-92.881.2174-172.8-4.8000111.1R1335 V2366 A2369 M2373 L2374 E2375R1335-D2371 IonicContact CZ-OD2 2.86Å; R1335-D2371 VanDerWaalsContact CZ-OD2 3.27Å; R1335-D2371 IonicContact NE-OD2 2.69Å; R1335-D2371 PolarHBondContact NE-OD2 3.12Å; R1335-D2371 IonicContact NH2-OD2 3.62Å; R1335-D2371 PolarHBondContact NH2-OD2 3.17Å; V2366-D2371 HydrophobicContact CG1-CB 4.15Å; V2366-D2371 WeakPolarHBondContact CG1-O 3.38Å; V2366-D2371 PolarHBondContact O-N 3.33Å; V2366-D2371 VanDerWaalsContact O-N 3.09Å; A2369-D2371 VanDerWaalsContact C-N 3.31Å; A2369-D2371 PolarHBondContact O-N 3.35Å; D2371-M2373 VanDerWaalsContact C-N 3.33Å; D2371-M2373 PolarHBondContact O-N 2.83Å; D2371-L2374 HydrophobicContact CB-CB 4.47Å; D2371-L2374 PolarHBondContact O-N 3.38Å; D2371-E2375 PolarHBondContact O-N 3.11Å; D2371-E2375 VanDerWaalsContact O-N 3.15Å
2372F86.5Confident84.7Confident70 Ų7030.3 Ų30.331%0.30715%0.151SC..Hα-helixtrans-69-22.4-171.7-61.1-49.8000115.4D1960 S1962 K2370 Q2376D1960-F2372 HydrophobicContact CB-CE1 4.47Å; D1960-F2372 HydrophobicContact CB-CZ 3.93Å; D1960-F2372 WeakPolarHBondContact O-CE1 3.49Å; S1962-F2372 PolarHBondContact OG-O 3.23Å; K2370-F2372 HydrophobicContact CB-CE2 4.34Å; K2370-F2372 HydrophobicContact CB-CZ 4.06Å; K2370-F2372 HydrophobicContact CG-CZ 4.5Å; K2370-F2372 PolarHBondContact O-N 3.07Å; F2372-Q2376 WeakPolarHBondContact O-CG 3.06Å; F2372-Q2376 PolarHBondContact O-N 2.93Å
2373M84.5Confident85Confident130 Ų13031.3 Ų31.364%0.6416%0.156SC*.Hα-helixtrans-69-50.8176-68.5-65.5-68.500109.6D2371 E2375 Q2376 D2377D2371-M2373 VanDerWaalsContact C-N 3.33Å; D2371-M2373 PolarHBondContact O-N 2.83Å; M2373-E2375 PolarHBondContact O-N 2.87Å; M2373-Q2376 PolarHBondContact O-N 3.38Å; M2373-Q2376 VanDerWaalsContact O-N 3.08Å; M2373-D2377 PolarHBondContact O-N 3.3Å; M2373-D2377 VanDerWaalsContact O-N 3.12Å
2374L85.9Confident85.1Confident7 Ų732.4 Ų32.44%0.03716%0.161CC..Hα-helixtrans-63.3-30178-172.160.9000112.3I1334 R1335 Y1338 V2366 D2371 L2378I1334-L2374 HydrophobicContact CB-CD2 4.5Å; I1334-L2374 HydrophobicContact CG2-CD1 4.33Å; I1334-L2374 HydrophobicContact CG2-CD2 3.96Å; I1334-L2374 HydrophobicContact CG2-CG 4.43Å; R1335-L2374 HydrophobicContact CB-CD2 4.23Å; Y1338-L2374 HydrophobicContact CD1-CD1 4.03Å; Y1338-L2374 HydrophobicContact CG-CD1 3.97Å; V2366-L2374 HydrophobicContact CG1-CB 3.77Å; V2366-L2374 HydrophobicContact CG1-CD2 4.16Å; V2366-L2374 HydrophobicContact CG1-CG 3.95Å; V2366-L2374 HydrophobicContact CG2-CD2 3.67Å; V2366-L2374 HydrophobicContact CG2-CG 4.01Å; D2371-L2374 HydrophobicContact CB-CB 4.47Å; D2371-L2374 PolarHBondContact O-N 3.38Å; L2374-L2378 HydrophobicContact CD1-CD1 4.36Å; L2374-L2378 HydrophobicContact CD1-CG 4.19Å; L2374-L2378 HydrophobicContact CG-CD1 4.09Å; L2374-L2378 HydrophobicContact CG-CG 4.37Å; L2374-L2378 WeakPolarHBondContact O-CB 3.45Å; L2374-L2378 VanDerWaalsContact O-CG 3.29Å; L2374-L2378 WeakPolarHBondContact O-CG 3.21Å; L2374-L2378 PolarHBondContact O-N 3.34Å
2375E88Confident85.3Confident0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-59.2-46.6171.3-180-176.5-143.100111.8T1961 S1962 M1963 I2363 V2366 R2367 D2371 M2373 F2379T1961-E2375 VanDerWaalsContact OG1-CD 3.3Å; T1961-E2375 PolarHBondContact OG1-OE1 2.89Å; T1961-E2375 PolarHBondContact OG1-OE2 3.38Å; S1962-E2375 PolarHBondContact N-OE2 2.68Å; S1962-E2375 PolarHBondContact OG-OE2 2.9Å; M1963-E2375 HydrophobicContact CE-CG 3.47Å; M1963-E2375 VanDerWaalsContact CE-CG 3.47Å; M1963-E2375 HydrophobicContact CG-CG 4.29Å; I2363-E2375 HydrophobicContact CG2-CG 4.27Å; V2366-E2375 HydrophobicContact CG1-CB 4.14Å; R2367-E2375 IonicContact CZ-OE1 3.01Å; R2367-E2375 IonicContact NE-OE1 2.75Å; R2367-E2375 PolarHBondContact NE-OE1 2.05Å; R2367-E2375 IonicContact NH2-OE1 3.83Å; R2367-E2375 PolarHBondContact NH2-OE1 3.48Å; D2371-E2375 PolarHBondContact O-N 3.11Å; D2371-E2375 VanDerWaalsContact O-N 3.15Å; M2373-E2375 PolarHBondContact O-N 2.87Å; E2375-F2379 WeakPolarHBondContact O-CB 3.44Å; E2375-F2379 PolarHBondContact O-N 2.69Å
2376Q86.7Confident85.8Confident35 Ų3531.3 Ų31.316%0.16416%0.156CC..Hα-helixtrans-69.8-40.6-178.7-64.1175.428.300111.7Y1356 S1962 F2372 M2373 F2379 A2380Y1356-Q2376 HydrophobicContact CD2-CG 3.96Å; Y1356-Q2376 HydrophobicContact CE2-CG 3.98Å; S1962-Q2376 VanDerWaalsContact CB-NE2 3.34Å; S1962-Q2376 WeakPolarHBondContact OG-CG 3.32Å; S1962-Q2376 PolarHBondContact OG-NE2 3.49Å; S1962-Q2376 VanDerWaalsContact OG-NE2 3.08Å; F2372-Q2376 WeakPolarHBondContact O-CG 3.06Å; F2372-Q2376 PolarHBondContact O-N 2.93Å; M2373-Q2376 PolarHBondContact O-N 3.38Å; M2373-Q2376 VanDerWaalsContact O-N 3.08Å; Q2376-F2379 PolarHBondContact O-N 2.96Å; Q2376-A2380 PolarHBondContact O-N 3.01Å
2377D84.3Confident85.9Confident32 Ų3240.4 Ų40.417%0.17119%0.19CC..Hα-helixtrans-64.8-48.7179.7-88.5-47.5000113.1Y1338 M2373 F2379 A2380 K2381Y1338-D2377 HydrophobicContact CD1-CB 4.28Å; Y1338-D2377 HydrophobicContact CE1-CB 3.46Å; Y1338-D2377 VanDerWaalsContact CE1-CB 3.46Å; Y1338-D2377 VanDerWaalsContact CE1-OD2 3.3Å; Y1338-D2377 WeakPolarHBondContact CE1-OD2 3.42Å; Y1338-D2377 HydrophobicContact CE2-CB 4.21Å; Y1338-D2377 VanDerWaalsContact CZ-CB 3.43Å; Y1338-D2377 VanDerWaalsContact CZ-CG 3.45Å; Y1338-D2377 WeakPolarHBondContact OH-CB 3.09Å; Y1338-D2377 PolarHBondContact OH-OD1 3.04Å; M2373-D2377 PolarHBondContact O-N 3.3Å; M2373-D2377 VanDerWaalsContact O-N 3.12Å; D2377-F2379 VanDerWaalsContact C-N 3.26Å; D2377-F2379 PolarHBondContact O-N 2.73Å; D2377-A2380 WeakPolarHBondContact O-CB 3.48Å; D2377-A2380 PolarHBondContact O-N 2.96Å; D2377-K2381 PolarHBondContact O-N 3.04Å
2378L87.3Confident86Confident9 Ų940.2 Ų40.25%0.04719%0.191CC..Hα-helixtrans-63.9-33.8175.6-70.7173.7000111.8I1334 D2362 I2363 V2366 L2374 K2381 L2382I1334-L2378 HydrophobicContact CG2-CD1 4.16Å; D2362-L2378 HydrophobicContact CB-CD1 4.12Å; I2363-L2378 HydrophobicContact CD1-CB 4.23Å; I2363-L2378 HydrophobicContact CG1-CB 3.61Å; I2363-L2378 HydrophobicContact CG1-CD1 4.32Å; V2366-L2378 HydrophobicContact CG2-CD1 4Å; L2374-L2378 HydrophobicContact CD1-CD1 4.36Å; L2374-L2378 HydrophobicContact CD1-CG 4.19Å; L2374-L2378 HydrophobicContact CG-CD1 4.09Å; L2374-L2378 HydrophobicContact CG-CG 4.37Å; L2374-L2378 WeakPolarHBondContact O-CB 3.45Å; L2374-L2378 VanDerWaalsContact O-CG 3.29Å; L2374-L2378 WeakPolarHBondContact O-CG 3.21Å; L2374-L2378 PolarHBondContact O-N 3.34Å; L2378-K2381 WeakPolarHBondContact O-CB 3.5Å; L2378-K2381 PolarHBondContact O-N 3.46Å; L2378-L2382 PolarHBondContact O-N 3.25Å
2379F89Confident86.5Confident0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-70.3-37.9174.3-178.7-113.4000112.8M1963 D1967 M1971 I2363 E2375 Q2376 D2377 K2381 L2382 I2383M1963-F2379 HydrophobicContact CE-CB 3.56Å; M1963-F2379 HydrophobicContact CE-CD1 4.4Å; M1963-F2379 HydrophobicContact CE-CD2 3.98Å; M1963-F2379 HydrophobicContact CE-CG 3.74Å; M1963-F2379 HydrophobicContact SD-CD1 4.34Å; M1963-F2379 HydrophobicContact SD-CD2 4.16Å; M1963-F2379 HydrophobicContact SD-CE2 4.46Å; M1963-F2379 HydrophobicContact SD-CG 4.09Å; D1967-F2379 HydrophobicContact CB-CE1 3.62Å; D1967-F2379 HydrophobicContact CB-CZ 3.65Å; D1967-F2379 WeakPolarHBondContact O-CZ 3.39Å; M1971-F2379 HydrophobicContact CB-CD2 4.15Å; M1971-F2379 HydrophobicContact CB-CE2 3.8Å; M1971-F2379 HydrophobicContact CG-CD2 4.37Å; M1971-F2379 HydrophobicContact CG-CE2 4.49Å; I2363-F2379 HydrophobicContact CD1-CB 4.42Å; E2375-F2379 WeakPolarHBondContact O-CB 3.44Å; E2375-F2379 PolarHBondContact O-N 2.69Å; Q2376-F2379 PolarHBondContact O-N 2.96Å; D2377-F2379 VanDerWaalsContact C-N 3.26Å; D2377-F2379 PolarHBondContact O-N 2.73Å; F2379-K2381 VanDerWaalsContact C-N 3.34Å; F2379-L2382 PolarHBondContact O-N 3.45Å; F2379-I2383 HydrophobicContact CD1-CD1 3.95Å; F2379-I2383 HydrophobicContact CE1-CD1 3.36Å; F2379-I2383 HydrophobicContact CE1-CG1 4.29Å; F2379-I2383 HydrophobicContact CE2-CD1 4.16Å; F2379-I2383 HydrophobicContact CE2-CG1 4.3Å; F2379-I2383 HydrophobicContact CZ-CD1 3.5Å; F2379-I2383 VanDerWaalsContact CZ-CD1 3.5Å; F2379-I2383 HydrophobicContact CZ-CG1 4.11Å; F2379-I2383 PolarHBondContact O-N 3.13Å
2380A86.9Confident86.8Confident3 Ų340.3 Ų40.33%0.02520%0.199CC..Hα-helixtrans-62.2-41.3171.700000111.6A1359 Q2376 D2377 I2383 F2384A1359-A2380 WeakPolarHBondContact O-CB 3.5Å; Q2376-A2380 PolarHBondContact O-N 3.01Å; D2377-A2380 WeakPolarHBondContact O-CB 3.48Å; D2377-A2380 PolarHBondContact O-N 2.96Å; A2380-I2383 PolarHBondContact O-N 3.4Å; A2380-F2384 PolarHBondContact O-N 2.95Å
2381K86.8Confident86.9Confident7 Ų735 Ų353%0.0318%0.177CC..Hα-helixtrans-58.4-47.2172.1-168.3173.9178.8172.30111.6M1367 F1368 Y1370 D2377 L2378 F2379 F2384 L2385M1367-K2381 HydrophobicContact CE-CB 3.72Å; M1367-K2381 HydrophobicContact CE-CD 4.36Å; M1367-K2381 HydrophobicContact CE-CG 4.06Å; M1367-K2381 WeakPolarHBondContact O-CE 3.36Å; M1367-K2381 PolarHBondContact O-NZ 3.1Å; F1368-K2381 HydrophobicContact CE1-CD 4.42Å; F1368-K2381 HydrophobicContact CE1-CG 3.62Å; F1368-K2381 HydrophobicContact CZ-CG 3.59Å; F1368-K2381 WeakPolarHBondContact CZ-O 3.38Å; Y1370-K2381 PolarHBondContact OH-NZ 3.49Å; D2377-K2381 PolarHBondContact O-N 3.04Å; L2378-K2381 WeakPolarHBondContact O-CB 3.5Å; L2378-K2381 PolarHBondContact O-N 3.46Å; F2379-K2381 VanDerWaalsContact C-N 3.34Å; K2381-F2384 PolarHBondContact O-N 2.92Å; K2381-L2385 PolarHBondContact O-N 2.87Å; K2381-L2385 VanDerWaalsContact O-N 3.14Å
2382L88.7Confident87Confident0 Ų033.9 Ų33.90%017%0.171CC..Hα-helixtrans-61.2-46.1177.6-170.765.5000112.1F1974 I2359 I2363 L2378 F2379 F2384 L2385 F2386F1974-L2382 HydrophobicContact CB-CD2 4.43Å; F1974-L2382 HydrophobicContact CD2-CD2 4.13Å; I2359-L2382 HydrophobicContact CB-CD1 4.4Å; I2359-L2382 HydrophobicContact CG2-CB 4.07Å; I2359-L2382 HydrophobicContact CG2-CD1 4.01Å; I2359-L2382 HydrophobicContact CG2-CG 4.46Å; I2363-L2382 HydrophobicContact CD1-CD2 4.2Å; L2378-L2382 PolarHBondContact O-N 3.25Å; F2379-L2382 PolarHBondContact O-N 3.45Å; L2382-F2384 PolarHBondContact O-N 3.33Å; L2382-L2385 PolarHBondContact O-N 2.95Å; L2382-F2386 HydrophobicContact CD1-CD2 4.18Å; L2382-F2386 HydrophobicContact CD1-CE2 3.79Å; L2382-F2386 HydrophobicContact CG-CD2 4.15Å; L2382-F2386 HydrophobicContact CG-CE2 4.08Å; L2382-F2386 WeakPolarHBondContact O-CD2 3.19Å; L2382-F2386 PolarHBondContact O-N 2.88Å
2383I89Confident87Confident40 Ų4035.9 Ų35.921%0.20518%0.184CC..Hα-helixtrans-60-44.9176.9-78.6178.8000111.5K1360 F2379 A2380 L2385 F2386 R2387K1360-I2383 HydrophobicContact CG-CD1 4.03Å; F2379-I2383 HydrophobicContact CD1-CD1 3.95Å; F2379-I2383 HydrophobicContact CE1-CD1 3.36Å; F2379-I2383 HydrophobicContact CE1-CG1 4.29Å; F2379-I2383 HydrophobicContact CE2-CD1 4.16Å; F2379-I2383 HydrophobicContact CE2-CG1 4.3Å; F2379-I2383 HydrophobicContact CZ-CD1 3.5Å; F2379-I2383 VanDerWaalsContact CZ-CD1 3.5Å; F2379-I2383 HydrophobicContact CZ-CG1 4.11Å; F2379-I2383 PolarHBondContact O-N 3.13Å; A2380-I2383 PolarHBondContact O-N 3.4Å; I2383-L2385 VanDerWaalsContact C-N 3.35Å; I2383-L2385 PolarHBondContact O-N 3.29Å; I2383-F2386 PolarHBondContact O-N 3.02Å; I2383-R2387 WeakPolarHBondContact O-CB 3.28Å; I2383-R2387 PolarHBondContact O-N 3.47Å
2384F88.4Confident86.9Confident22 Ų2237 Ų3710%0.09619%0.187CC..Hα-helixtrans-63.7-42.3-179-176.2-86.5000112G1363 Y1365 F1368 A2380 K2381 L2382 F2386 R2387 S2388G1363-F2384 WeakPolarHBondContact O-CD2 3.45Å; G1363-F2384 VanDerWaalsContact O-CE2 3.24Å; G1363-F2384 WeakPolarHBondContact O-CE2 3.34Å; Y1365-F2384 HydrophobicContact CD1-CE1 4.19Å; Y1365-F2384 HydrophobicContact CD1-CZ 4.16Å; Y1365-F2384 AromaticContact CD2-CZ 3.89Å; Y1365-F2384 HydrophobicContact CD2-CZ 3.89Å; Y1365-F2384 HydrophobicContact CE1-CE1 4.37Å; Y1365-F2384 HydrophobicContact CE1-CZ 4.21Å; Y1365-F2384 AromaticContact CE2-CZ 3.93Å; Y1365-F2384 HydrophobicContact CE2-CZ 3.93Å; Y1365-F2384 HydrophobicContact CG-CE1 4.33Å; Y1365-F2384 HydrophobicContact CG-CZ 4Å; F1368-F2384 AromaticContact CD2-CD1 3.99Å; F1368-F2384 HydrophobicContact CD2-CD1 3.99Å; F1368-F2384 HydrophobicContact CD2-CE1 4.1Å; F1368-F2384 HydrophobicContact CE2-CB 4.32Å; F1368-F2384 AromaticContact CE2-CD1 3.21Å; F1368-F2384 HydrophobicContact CE2-CD1 3.21Å; F1368-F2384 AromaticContact CE2-CE1 3.76Å; F1368-F2384 HydrophobicContact CE2-CE1 3.76Å; F1368-F2384 HydrophobicContact CE2-CG 4.04Å; F1368-F2384 HydrophobicContact CZ-CB 4.3Å; F1368-F2384 AromaticContact CZ-CD1 3.83Å; F1368-F2384 HydrophobicContact CZ-CD1 3.83Å; F1368-F2384 HydrophobicContact CZ-CG 4.48Å; A2380-F2384 PolarHBondContact O-N 2.95Å; K2381-F2384 PolarHBondContact O-N 2.92Å; L2382-F2384 PolarHBondContact O-N 3.33Å; F2384-F2386 PolarHBondContact O-N 2.79Å; F2384-R2387 CarbonylContact O-C 3.59Å; F2384-R2387 WeakPolarHBondContact O-CA 3.42Å; F2384-R2387 WeakPolarHBondContact O-CB 3.5Å; F2384-R2387 PolarHBondContact O-N 2.73Å; F2384-S2388 PolarHBondContact O-N 2.96Å
2385L87.2Confident86.8Confident0 Ų037.3 Ų37.30%019%0.188CC..Hα-helixtrans-62.8-42.3179.5-168.1156.5000111.1F1368 L2356 K2381 L2382 I2383 R2387 S2388 L2392 W2395F1368-L2385 HydrophobicContact CD1-CD1 3.98Å; F1368-L2385 HydrophobicContact CE1-CB 3.86Å; F1368-L2385 HydrophobicContact CE1-CD1 3.69Å; F1368-L2385 HydrophobicContact CE1-CG 4.2Å; F1368-L2385 HydrophobicContact CZ-CB 4.06Å; L2356-L2385 HydrophobicContact CD2-CD1 4.08Å; L2356-L2385 HydrophobicContact CD2-CD2 3.49Å; L2356-L2385 VanDerWaalsContact CD2-CD2 3.49Å; L2356-L2385 HydrophobicContact CD2-CG 4.44Å; K2381-L2385 PolarHBondContact O-N 2.87Å; K2381-L2385 VanDerWaalsContact O-N 3.14Å; L2382-L2385 PolarHBondContact O-N 2.95Å; I2383-L2385 VanDerWaalsContact C-N 3.35Å; I2383-L2385 PolarHBondContact O-N 3.29Å; L2385-R2387 PolarHBondContact O-N 3.21Å; L2385-S2388 PolarHBondContact O-N 3.39Å; L2385-L2392 HydrophobicContact CD2-CB 3.82Å; L2385-L2392 HydrophobicContact CD2-CD1 3.41Å; L2385-L2392 VanDerWaalsContact CD2-CD1 3.41Å; L2385-L2392 HydrophobicContact CD2-CG 4.16Å; L2385-W2395 HydrophobicContact CD1-CB 4.3Å; L2385-W2395 HydrophobicContact CD1-CD2 3.74Å; L2385-W2395 HydrophobicContact CD1-CE3 3.37Å; L2385-W2395 HydrophobicContact CD1-CG 4.16Å; L2385-W2395 HydrophobicContact CD1-CZ3 3.93Å
2386F87.4Confident86.7Confident25 Ų2537.4 Ų37.411%0.1119%0.189CC..Hα-helixtrans-67.5-20.1171.5-81-66.1000114.2F1974 I1978 F2347 L2382 I2383 F2384F1974-F2386 HydrophobicContact CB-CE2 3.95Å; F1974-F2386 HydrophobicContact CB-CZ 4.37Å; F1974-F2386 AromaticContact CD1-CD2 3.85Å; F1974-F2386 HydrophobicContact CD1-CD2 3.85Å; F1974-F2386 HydrophobicContact CD1-CE1 4.39Å; F1974-F2386 AromaticContact CD1-CE2 3.64Å; F1974-F2386 HydrophobicContact CD1-CE2 3.64Å; F1974-F2386 HydrophobicContact CD1-CG 4.31Å; F1974-F2386 AromaticContact CD1-CZ 3.94Å; F1974-F2386 HydrophobicContact CD1-CZ 3.94Å; F1974-F2386 HydrophobicContact CD2-CD2 4.29Å; F1974-F2386 HydrophobicContact CD2-CE2 4.28Å; F1974-F2386 HydrophobicContact CE1-CD1 4.46Å; F1974-F2386 AromaticContact CE1-CD2 3.91Å; F1974-F2386 HydrophobicContact CE1-CD2 3.91Å; F1974-F2386 HydrophobicContact CE1-CE2 4.19Å; F1974-F2386 HydrophobicContact CE1-CG 4.06Å; F1974-F2386 HydrophobicContact CE2-CD2 4.34Å; F1974-F2386 HydrophobicContact CG-CD2 4.06Å; F1974-F2386 AromaticContact CG-CE2 3.71Å; F1974-F2386 HydrophobicContact CG-CE2 3.71Å; F1974-F2386 HydrophobicContact CG-CZ 4.32Å; F1974-F2386 HydrophobicContact CZ-CD2 4.16Å; F1974-F2386 HydrophobicContact CZ-CG 4.45Å; I1978-F2386 HydrophobicContact CD1-CE2 4.28Å; I1978-F2386 HydrophobicContact CD1-CZ 4.01Å; I1978-F2386 HydrophobicContact CG1-CZ 4.24Å; F2347-F2386 AromaticContact CD1-CD1 3.75Å; F2347-F2386 HydrophobicContact CD1-CD1 3.75Å; F2347-F2386 AromaticContact CD1-CE1 3.99Å; F2347-F2386 HydrophobicContact CD1-CE1 3.99Å; F2347-F2386 AromaticContact CE1-CD1 3.81Å; F2347-F2386 HydrophobicContact CE1-CD1 3.81Å; L2382-F2386 HydrophobicContact CD1-CD2 4.18Å; L2382-F2386 HydrophobicContact CD1-CE2 3.79Å; L2382-F2386 HydrophobicContact CG-CD2 4.15Å; L2382-F2386 HydrophobicContact CG-CE2 4.08Å; L2382-F2386 WeakPolarHBondContact O-CD2 3.19Å; L2382-F2386 PolarHBondContact O-N 2.88Å; I2383-F2386 PolarHBondContact O-N 3.02Å; F2384-F2386 PolarHBondContact O-N 2.79Å
2387R87.6Confident86.4Confident192 Ų19244.9 Ų44.973%0.72522%0.215SC*.Hα-helixtrans-84.5-22176.5-169.7178.7-180-165-2.2113.3I2383 F2384 L2385I2383-R2387 WeakPolarHBondContact O-CB 3.28Å; I2383-R2387 PolarHBondContact O-N 3.47Å; F2384-R2387 CarbonylContact O-C 3.59Å; F2384-R2387 WeakPolarHBondContact O-CA 3.42Å; F2384-R2387 WeakPolarHBondContact O-CB 3.5Å; F2384-R2387 PolarHBondContact O-N 2.73Å; L2385-R2387 PolarHBondContact O-N 3.21Å
2388S87.7Confident85.7Confident10 Ų1049.1 Ų49.17%0.0724%0.235CC..  trans-118.796.8-176.9-178.30000112.2F2384 L2385 A2390 T2391 L2392F2384-S2388 PolarHBondContact O-N 2.96Å; L2385-S2388 PolarHBondContact O-N 3.39Å; S2388-A2390 VanDerWaalsContact C-N 3.25Å; S2388-A2390 PolarHBondContact O-N 3Å; S2388-T2391 WeakPolarHBondContact CB-OG1 3.42Å; S2388-T2391 PolarHBondContact O-N 3.49Å; S2388-T2391 VanDerWaalsContact O-N 3.14Å; S2388-T2391 PolarHBondContact O-OG1 2.68Å; S2388-T2391 PolarHBondContact OG-OG1 3.17Å; S2388-L2392 PolarHBondContact O-N 2.81Å; S2388-L2392 VanDerWaalsContact O-N 3.09Å
2389P86.5Confident84.3Confident50 Ų5051.8 Ų51.833%0.32526%0.255SS..Hα-helixtrans-59.4-32.7-174.9-23.933.3000114.3M2346 L2392 I2393M2346-P2389 HydrophobicContact CE-CB 3.57Å; M2346-P2389 HydrophobicContact CE-CG 3.45Å; M2346-P2389 VanDerWaalsContact CE-CG 3.45Å; M2346-P2389 HydrophobicContact CG-CB 4.34Å; M2346-P2389 HydrophobicContact SD-CB 3.64Å; M2346-P2389 HydrophobicContact SD-CG 3.5Å; M2346-P2389 WeakPolarHBondContact SD-CG 3.33Å; P2389-L2392 PolarHBondContact O-N 3.2Å; P2389-I2393 VanDerWaalsContact O-CG1 3.31Å; P2389-I2393 WeakPolarHBondContact O-CG1 3.29Å; P2389-I2393 PolarHBondContact O-N 2.88Å
2390A85.8Confident82.4Confident69 Ų6961 Ų6157%0.5730%0.295SS*.Hα-helixtrans-63.6-48.4178.200000110.9S2388 L2392 I2393 E2394S2388-A2390 VanDerWaalsContact C-N 3.25Å; S2388-A2390 PolarHBondContact O-N 3Å; A2390-L2392 PolarHBondContact O-N 3.46Å; A2390-I2393 PolarHBondContact O-N 3.03Å; A2390-E2394 WeakPolarHBondContact O-CB 3.4Å; A2390-E2394 PolarHBondContact O-N 3.28Å
2391T85.8Confident80.1Confident10 Ų1069.5 Ų69.56%0.06133%0.331CS..Hα-helixtrans-65.5-38.8177.362.80000112Y1365 S2388 I2393 E2394 W2395Y1365-T2391 HydrophobicContact CD1-CG2 3.68Å; Y1365-T2391 HydrophobicContact CE1-CG2 3.77Å; S2388-T2391 WeakPolarHBondContact CB-OG1 3.42Å; S2388-T2391 PolarHBondContact O-N 3.49Å; S2388-T2391 VanDerWaalsContact O-N 3.14Å; S2388-T2391 PolarHBondContact O-OG1 2.68Å; S2388-T2391 PolarHBondContact OG-OG1 3.17Å; T2391-I2393 PolarHBondContact O-N 2.7Å; T2391-E2394 PolarHBondContact O-N 3.17Å; T2391-W2395 WeakPolarHBondContact O-CB 3.36Å; T2391-W2395 PolarHBondContact O-N 3.31Å
2392L87.2Confident77.8Confident1 Ų176.8 Ų76.81%0.00536%0.363CS..Hα-helixtrans-58.8-45.1174.6172.660.7000112M2346 F2347 L2350 L2356 L2385 S2388 P2389 A2390 T2396M2346-L2392 HydrophobicContact CG-CD2 4.18Å; F2347-L2392 HydrophobicContact CD1-CD2 3.96Å; F2347-L2392 HydrophobicContact CE1-CD2 4.19Å; L2350-L2392 HydrophobicContact CD1-CD1 4.12Å; L2350-L2392 HydrophobicContact CD2-CD1 3.8Å; L2350-L2392 HydrophobicContact CD2-CD2 4.18Å; L2350-L2392 HydrophobicContact CD2-CG 3.9Å; L2356-L2392 HydrophobicContact CD1-CD1 3.97Å; L2356-L2392 HydrophobicContact CD2-CD1 4.33Å; L2385-L2392 HydrophobicContact CD2-CB 3.82Å; L2385-L2392 HydrophobicContact CD2-CD1 3.41Å; L2385-L2392 VanDerWaalsContact CD2-CD1 3.41Å; L2385-L2392 HydrophobicContact CD2-CG 4.16Å; S2388-L2392 PolarHBondContact O-N 2.81Å; S2388-L2392 VanDerWaalsContact O-N 3.09Å; P2389-L2392 PolarHBondContact O-N 3.2Å; A2390-L2392 PolarHBondContact O-N 3.46Å; L2392-T2396 HydrophobicContact CD1-CG2 3.87Å; L2392-T2396 WeakPolarHBondContact O-CB 3.37Å; L2392-T2396 VanDerWaalsContact O-CG2 3.29Å; L2392-T2396 WeakPolarHBondContact O-CG2 3.47Å; L2392-T2396 PolarHBondContact O-N 3.15Å; L2392-T2396 VanDerWaalsContact O-N 3.15Å; L2392-T2396 PolarHBondContact O-OG1 3.35Å
2393I86.3Confident75.2Confident112 Ų11286.7 Ų86.757%0.57441%0.409SS*.Hα-helixtrans-68.4-41.9179-69.5166.5000111.5P2389 A2390 T2391 R2397P2389-I2393 VanDerWaalsContact O-CG1 3.31Å; P2389-I2393 WeakPolarHBondContact O-CG1 3.29Å; P2389-I2393 PolarHBondContact O-N 2.88Å; A2390-I2393 PolarHBondContact O-N 3.03Å; T2391-I2393 PolarHBondContact O-N 2.7Å; I2393-R2397 PolarHBondContact O-N 3.2Å
2394E83.2Confident72.6Confident153 Ų15396.1 Ų96.172%0.71545%0.453SS*.Hα-helixtrans-61.9-45.8178-174.5167.7-157.700111.4A2390 T2391 T2396A2390-E2394 WeakPolarHBondContact O-CB 3.4Å; A2390-E2394 PolarHBondContact O-N 3.28Å; T2391-E2394 PolarHBondContact O-N 3.17Å; E2394-T2396 PolarHBondContact O-N 3.16Å
2395W82.5Confident71.8Confident14 Ų1499.9 Ų99.95%0.05347%0.47CS..Hα-helixtrans-78.5-15.1-175.4-148.869.9000114.6P1372 H2355 L2356 I2359 L2385 T2391P1372-W2395 HydrophobicContact CB-CZ2 4.46Å; H2355-W2395 HydrophobicContact CB-CD2 4.19Å; H2355-W2395 HydrophobicContact CB-CE3 3.67Å; H2355-W2395 HydrophobicContact CB-CH2 3.57Å; H2355-W2395 HydrophobicContact CB-CZ2 4.11Å; H2355-W2395 HydrophobicContact CB-CZ3 3.36Å; H2355-W2395 PolarHBondContact CD2-O 3.3Å; H2355-W2395 VanDerWaalsContact O-CH2 3.26Å; H2355-W2395 WeakPolarHBondContact O-CH2 3.05Å; H2355-W2395 VanDerWaalsContact O-CZ3 3.27Å; H2355-W2395 WeakPolarHBondContact O-CZ3 3.41Å; L2356-W2395 HydrophobicContact CD2-CE3 4.03Å; L2356-W2395 HydrophobicContact CD2-CZ3 3.97Å; L2356-W2395 HydrophobicContact CG-CZ3 4.46Å; I2359-W2395 HydrophobicContact CD1-CH2 3.33Å; I2359-W2395 HydrophobicContact CD1-CZ2 4.21Å; I2359-W2395 HydrophobicContact CD1-CZ3 3.64Å; I2359-W2395 HydrophobicContact CG1-CH2 3.79Å; I2359-W2395 HydrophobicContact CG1-CZ3 4.31Å; L2385-W2395 HydrophobicContact CD1-CB 4.3Å; L2385-W2395 HydrophobicContact CD1-CD2 3.74Å; L2385-W2395 HydrophobicContact CD1-CE3 3.37Å; L2385-W2395 HydrophobicContact CD1-CG 4.16Å; L2385-W2395 HydrophobicContact CD1-CZ3 3.93Å; T2391-W2395 WeakPolarHBondContact O-CB 3.36Å; T2391-W2395 PolarHBondContact O-N 3.31Å
2396T86.5Confident71Confident2 Ų2105.1 Ų105.11%0.01250%0.495CS..THydrogen-bonded Turntrans-107.65.4179.458.20000114L2350 P2351 N2352 L2356 L2392 E2394L2350-T2396 HydrophobicContact CD2-CG2 4.27Å; P2351-T2396 WeakPolarHBondContact CD-O 3.5Å; P2351-T2396 VanDerWaalsContact CG-O 3.31Å; P2351-T2396 WeakPolarHBondContact CG-O 3.47Å; N2352-T2396 WeakPolarHBondContact CB-O 3.37Å; N2352-T2396 PolarHBondContact N-O 2.96Å; N2352-T2396 WeakPolarHBondContact O-CB 3.45Å; N2352-T2396 WeakPolarHBondContact O-CG2 3.02Å; L2356-T2396 HydrophobicContact CD1-CG2 3.89Å; L2356-T2396 HydrophobicContact CG-CG2 4.13Å; L2392-T2396 HydrophobicContact CD1-CG2 3.87Å; L2392-T2396 WeakPolarHBondContact O-CB 3.37Å; L2392-T2396 VanDerWaalsContact O-CG2 3.29Å; L2392-T2396 WeakPolarHBondContact O-CG2 3.47Å; L2392-T2396 PolarHBondContact O-N 3.15Å; L2392-T2396 VanDerWaalsContact O-N 3.15Å; L2392-T2396 PolarHBondContact O-OG1 3.35Å; E2394-T2396 PolarHBondContact O-N 3.16Å
2397R80.3Confident70.1Confident191 Ų191109.6 Ų109.672%0.72152%0.516SS*.  trans-71.8135.9-177.2-175.5177.7179.3177.71.1112.3I2393 S2399I2393-R2397 PolarHBondContact O-N 3.2Å; R2397-S2399 PolarHBondContact O-N 2.72Å
2398M70.1Confident69Low121 Ų121104.7 Ų104.760%0.59650%0.504SS*.  trans-70114.2167.7-67.5-82.3-83.700110.4P2351 N2352 K2400P2351-M2398 HydrophobicContact CB-CG 4.05Å; N2352-M2398 HydrophobicContact CB-SD 4.16Å; M2398-K2400 PolarHBondContact O-N 3.16Å
2399S57.7Low67.9Low65 Ų65110.6 Ų110.646%0.45553%0.531SS..  trans-69.2123.8172.5-172.90000110.3E1373 R2397E1373-S2399 WeakPolarHBondContact OE1-CB 3.21Å; E1373-S2399 PolarHBondContact OE1-OG 3.12Å; R2397-S2399 PolarHBondContact O-N 2.72Å
2400K48.2Very low66.6Low195 Ų195114.7 Ų114.785%0.84855%0.545SS*.  trans-116.123.4-164.8-130-176.5-172.4-174.70113.9M2398M2398-K2400 PolarHBondContact O-N 3.16Å
2401K39.4Very low65.3Low180 Ų180117.9 Ų117.978%0.78354%0.543SS*.SBendtrans-147.720.5-156.9-107.1-168176.2-165.60118.5
2402K38Very low63.7Low160 Ų160126.2 Ų126.270%0.69658%0.58SS**SBendtrans-132.310.7178.6-78.4-178.5-179.1165.70115.6
2403Q35.1Very low61.7Low209 Ų209136.7 Ų136.798%0.97763%0.628SS**  trans-121.44.5173.9-80.4-175.7-19.400113.3
2404E33.5Very low59.5Low238 Ų238138.9 Ų138.9100%1.11263%0.633SS**  trans-920151.5-69.7179.2168.600107.4

Retrieved 2,404 of 2,404 residues in 441.9 ms (Link to these results)

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