A0A3Q0KUI3_SCHMA Loading...

Fibrillar collagen NC1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KUI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,674 aa.

>A0A3Q0KUI3_SCHMA|A0A3Q0KUI3
MYLYHWTMNNQFQVYLTSFVWIILLSNTPVNGFLERLQTAPQGTLDVLTAVRISEQAYVQTSPGRCRQDSNDLATSSNVAERNVAYSVPRGLNLYIEGRSLIPDSFPPDLSILFTIRLELNLEKEFFTLYDRHGRMILRIIIGSHLQLEYLSRESQSSQLFDVHPRDLKTQSGKTLEKAIFKTRLNDGLWHRVAVSIGTTTARLLVDCKQREFINYNRSSTSIDNRGRIQVLKDGIHGFIEDFYLLPGEEGVIKQCDVYSPNCLDDQMMGDEGDKDTDPMQGPAGSMGDIGPPGDKGEPGLNGSSVAAGEPGPPGPMGSLFIIPLNLGVGSSSFARAATFRDLLQKHLLSLKGVRGARGMTGITGPEGGPGEPGVKGEVGHPGDTGYQGPRGPMGPPGRQGSSGPPGLDGSRGEPGPSGMKGEDGRPGDSGLIGLKGDKGELGPPGPKGDQGLPGEEGPRGPHGDIGDQGDPGLPGVRGPVGQPGPQGPRGKPGNQGPRGRKGELGEPGLPGLPGPAGPIGTSGPEGMAGPRGPTGVAGQRGRSGPSGVPGTDGLPGFPGPKGDVGPKGDTGPNGSKGDTGIQGPRGYKGERGRSGPEGAKGESGKPGPVGVPGDPGPKGVKGDVGISGPVGSPGVTGMKGDPGPPGPVGQRGDPGTKGLPGAVGTPGPPGPDGERGPSGLTGRRGRGGDKGDIGPPGSPGETGQQGQRGAPGPRGPPGRFGPPGMKGDAGPVGPVGSVGPIGEQGLQGPVGPPGPIGPPGSTGREGPVGFPGPRGEPGERGPAGQPGSLGNTGPPGPIGDPGPEGQQGPVGPTGPTGDPGKDGMPGRDGQPGPKGVRGSPGVLGNQGVRGFPGFDGMPGRPGPAGVKGELGPDGEVGPIGDKGYQGDSGIIGPIGPTGPMGARGPPGPAGVKGLTGEDGPLGLIGSPGPRGPPGRLGPIGPLGPPGFDGEKGDKGASGPPGPKGDKGGVGIRGPFGPVGSPGLPGIQGPPGLPGQAGEEGPEGLVGPEGSRGLPGAPGAPGMVGVTGLPGIAGEKGDQGSQGPIGRRGLPGTVGVPGPAGQPGSVGVPGPVGQQGERGTQGEDGPPGPRGVEGSPGVQGPLGPKGQEGPRGPQGVPGDIGTPGPDGPKGELGPLGIPGPQGPTGPPGPKGVQGSVGEDGPPGPQGPLGKQGLRGLPGPLGPPGPPGMTGPQGRTGPQGPKGMKGETGEQGVPGEPGRTGPVGSPGPPGSLGSPGQQGVPGVMGKQGKTGERGSEGLQGKQGDPGIPGDRGPKGSKGTYGPVGPLGPPGPKGEQGVPGLEGARGVVGLKGERGPVGPAGDPGQPGPSGPIGPEGPAGHPGPPGLPGVPGQKGSSGPAGPPGPPGPIKVLDMSEGYYRFEDTPRVRRSISDALYHNQYYSKQDPDESITPNTIPSVGAVLRRIYARIESLEASMNSFERPMGTQQNPARHCRDIFEAAEFPETSKSGTYWIDPNLGSPTDAFTVECRFQNKGNVAETCIKPSEDTKTQPLTNFVKTNNSKDWWISQLKQQKQNGTMHKTQVMFHFHWFLQYFGLIRYLQLLHSKAEQIITFTCRNTPVYFDVKNQNYKNAVIVKLFDENVIDTYEDRRTRTIGGGIMLDIKVKDECMERSKQKASSVFEFVARKPNLLPLVDIQLKEFGESDQEIGYYMDAVCFS
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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
1M29.3Very low29.5Very low221 Ų221158.4 Ų158.4100%1.08974%0.742SS**  0101.60180-179.1-179.400107.1
2Y29.4Very low29.5Very low194 Ų194161.8 Ų161.876%0.76175%0.754SS**  cis-128.8136.3-10.5-86.1-103.1000106.7
3L26.1Very low29.5Very low127 Ų127155.5 Ų155.567%0.66572%0.724SS**  72.9133.157.8-91.8162.4000115.1
4Y27.3Very low29.9Very low182 Ų182151.9 Ų151.971%0.71472%0.718SS**  trans79.1130.9172.6-59.2-80.1000117.3
5H29.9Very low30.3Very low140 Ų140155.9 Ų155.965%0.64873%0.726SS**  cis-166.1144.2-6.4-145.7-136.5000113.9
6W28.1Very low30.6Very low192 Ų192153.8 Ų153.873%0.72772%0.72SS**  trans48.8130.6141.9-88.150.3000122.3
7T30.9Very low30.8Very low97 Ų97149.3 Ų149.360%0.59571%0.706SS**  60.7134.851.172.60000114.6
8M29.6Very low31.2Very low162 Ų162145.3 Ų145.380%0.79870%0.696SS**  cis-139.3-177.87.2-66.2-164-163.600109
9N32.5Very low31.5Very low128 Ų128145.6 Ų145.668%0.68470%0.695SS**  cis-179.4136.544.4-169.112.8000112.8
10N31.6Very low31.8Very low129 Ų129142.5 Ų142.569%0.6969%0.685SS**  trans176.7110.7133.9-106.8-15.8000115.9F12N10-F12 VanDerWaalsContact C-N 3.28Å; N10-F12 PolarHBondContact O-N 3.28Å
11Q29.4Very low31.9Very low170 Ų170144.7 Ų144.779%0.79469%0.687SS**SBend37.80.2117.9-82.3-100-52.700124.8
12F29.9Very low32.5Very low200 Ų200139.9 Ų139.988%0.87766%0.664SS**SBendtrans-131.530.4-178-116.7-92.2000115.1N10N10-F12 VanDerWaalsContact C-N 3.28Å; N10-F12 PolarHBondContact O-N 3.28Å
13Q29.1Very low32.9Very low80 Ų80136.7 Ų136.737%0.37466%0.659SS.*  trans-142.536.3-177.3-108.8-76.2-36.900113.4L555Q13-L555 HydrophobicContact CG-CD2 3.37Å
14V36.2Very low33.4Very low105 Ų105137 Ų13764%0.63666%0.661SS**SBendtrans-107.1-13177.7-175.50000112.7
15Y35.3Very low33.7Very low212 Ų212134.7 Ų134.783%0.83166%0.66SS**SBendtrans-99.3-7.8-175.9-82.4-77.8000116
16L35.2Very low33.9Very low121 Ų121130.9 Ų130.963%0.63465%0.649SS**SBendtrans-102.1-26.1177.7-109.376000114.1
17T34.1Very low33.9Very low78 Ų78130.3 Ų130.348%0.47966%0.66SS.*Hα-helixtrans-80.4-24.7-177.3440000113.2F19T17-F19 VanDerWaalsContact C-N 3.32Å; T17-F19 PolarHBondContact O-N 3.28Å
18S37.9Very low34.1Very low77 Ų77130 Ų13054%0.53866%0.658SS.*Hα-helixtrans-74.2-16.4173.1-57.90000114.4I22S18-I22 WeakPolarHBondContact O-CD1 3.26Å
19F37.7Very low34.2Very low152 Ų152128.1 Ų128.167%0.66766%0.658SS**Hα-helixtrans-86.3-27.1178.8-117.2-91.7000113.3T17T17-F19 VanDerWaalsContact C-N 3.32Å; T17-F19 PolarHBondContact O-N 3.28Å
20V36.3Very low34.2Very low83 Ų83127.6 Ų127.650%0.50366%0.659SS.*Hα-helixtrans-82.2-26.6-176-1780000112.3
21W34.7Very low34.2Very low189 Ų189128.2 Ų128.272%0.71666%0.663SS**THydrogen-bonded Turntrans-77.7-22.5175.7-95.568.4000114.3I23 L25W21-I23 VanDerWaalsContact C-N 3.3Å; W21-L25 HydrophobicContact CE3-CD1 3.74Å; W21-L25 HydrophobicContact CZ3-CD1 3.67Å
22I40.9Very low34.1Very low120 Ų120122.1 Ų122.162%0.61565%0.645SS**THydrogen-bonded Turntrans-70.7-29.2175.4-66.9173.2000111.1S18 S26S18-I22 WeakPolarHBondContact O-CD1 3.26Å; I22-S26 PolarHBondContact O-OG 3.1Å
23I38.7Very low34.1Very low126 Ų126120.5 Ų120.565%0.64664%0.638SS**THydrogen-bonded Turntrans-80.7-18.2-177.1-63.3174.5000112.6W21W21-I23 VanDerWaalsContact C-N 3.3Å
24L35.6Very low34.3Very low135 Ų135124.6 Ų124.671%0.70766%0.662SS**THydrogen-bonded Turntrans-108.4-2.1-171.9-75168.1000115.6
25L34Very low33.9Very low133 Ų133126.6 Ų126.670%0.69666%0.664SS**SBendtrans-122.51.8176.2-75.6174.1000114.9W21 N27W21-L25 HydrophobicContact CE3-CD1 3.74Å; W21-L25 HydrophobicContact CZ3-CD1 3.67Å; L25-N27 PolarHBondContact O-N 3.19Å
26S33.5Very low33.7Very low59 Ų59125.8 Ų125.841%0.41366%0.66SS.*  trans-91.692.9166.756.80000110.8I22 T28I22-S26 PolarHBondContact O-OG 3.1Å; S26-T28 PolarHBondContact O-N 3.46Å
27N29.5Very low33.6Very low180 Ų180127.2 Ų127.296%0.96367%0.667SS**  trans-72.171.7163.1-105-26.5000109.9L25L25-N27 PolarHBondContact O-N 3.19Å
28T35.1Very low33.3Very low92 Ų92131.4 Ų131.456%0.56468%0.681SS**SBendtrans-122.9136.7164.847.20000106.8S26 V30S26-T28 PolarHBondContact O-N 3.46Å; T28-V30 PolarHBondContact O-N 3.13Å
29P31.9Very low33.2Very low121 Ų121132.5 Ų132.579%0.78669%0.685SS**  trans-66107.4-172.126.6-33.9000110.7N31P29-N31 PolarHBondContact O-N 3.46Å
30V32.4Very low33.5Very low117 Ų117126.9 Ų126.971%0.70967%0.667SS**  trans-79.145.3172-164.60000110.3T28T28-V30 PolarHBondContact O-N 3.13Å
31N30.7Very low33.9Very low143 Ų143126 Ų12677%0.76566%0.662SS**  trans-11390.5164-76.5-0.9000106P29P29-N31 PolarHBondContact O-N 3.46Å
32G27.9Very low34.6Very low42 Ų42126.8 Ų126.843%0.43367%0.674SS.*SBendtrans166-15.5-175.200000115.7
33F29.3Very low35.5Very low165 Ų165124 Ų12472%0.72467%0.674SS**SBendtrans-109.24.1-177.5-140.6-97000114.9R52F33-R52 VanDerWaalsContact CZ-NH2 3.27Å
34L32.6Very low36.8Very low167 Ų167119.1 Ų119.187%0.87465%0.651SS**SBendtrans-131.10.3175.6-104.5157.7000114.2
35E28.9Very low38.8Very low147 Ų147113.9 Ų113.969%0.68762%0.623SS**SBendtrans-109.2-1.1178.6-85.2-176.7140.500114.6
36R30.8Very low41.2Very low194 Ų194109.5 Ų109.573%0.73260%0.601SS**THydrogen-bonded Turntrans-9315.4178.9-82.6-169.1174.6-156.3-3.7115.6
37L33.6Very low43.6Very low151 Ų151106.7 Ų106.779%0.79158%0.581SS**THydrogen-bonded Turntrans-11214.3177.4-85.4167.2000114
38Q27.3Very low46.2Very low166 Ų16698.5 Ų98.578%0.77654%0.537SS*.  trans-116.759.5-173.9-73.1-167.6-29.700115
39T36Very low48.5Very low101 Ų10197.5 Ų97.562%0.6253%0.531SS*.SBendtrans-138.817.4160.151.30000114
40A43.3Very low50.8Low34 Ų3493.7 Ų93.728%0.28151%0.51SS..SBendtrans-119.5143.3171.400000110.7T44A40-T44 HydrophobicContact CB-CG2 4.26Å
41P45.6Very low53.1Low64 Ų6488.7 Ų88.742%0.41648%0.479SS..  trans-58.8143.1175.9-23.835.2000111.5G43 T44 V258 Y259P41-G43 PolarHBondContact O-N 2.8Å; P41-T44 VanDerWaalsContact O-CB 3.23Å; P41-T44 WeakPolarHBondContact O-CB 3.22Å; P41-T44 PolarHBondContact O-N 2.86Å; P41-T44 PolarHBondContact O-OG1 3.24Å; P41-T44 VanDerWaalsContact O-OG1 3.12Å; P41-V258 HydrophobicContact CG-CG1 4.44Å; P41-Y259 WeakPolarHBondContact CD-OH 3.16Å; P41-Y259 HydrophobicContact CG-CE1 4.49Å; P41-Y259 WeakPolarHBondContact CG-OH 3.33Å
42Q48.4Very low55.6Low206 Ų20686.9 Ų86.996%0.96346%0.462SS*.THydrogen-bonded Turntrans-45123.3-174.5-71.8-176.8-17.400112.6
43G59.6Low58.1Low60 Ų6085 Ų8562%0.61944%0.442SS*.THydrogen-bonded Turntrans91.4-5.6-177.600000115.4P41 P247P41-G43 PolarHBondContact O-N 2.8Å; G43-P247 WeakPolarHBondContact O-CD 2.76Å
44T67.9Low60.4Low24 Ų2480.6 Ų80.615%0.14743%0.431CS..  trans-90.7133.9175-54.10000111.2A40 P41 Y244 L246 Y259A40-T44 HydrophobicContact CB-CG2 4.26Å; P41-T44 VanDerWaalsContact O-CB 3.23Å; P41-T44 WeakPolarHBondContact O-CB 3.22Å; P41-T44 PolarHBondContact O-N 2.86Å; P41-T44 PolarHBondContact O-OG1 3.24Å; P41-T44 VanDerWaalsContact O-OG1 3.12Å; T44-Y244 HydrophobicContact CG2-CD1 4.37Å; T44-L246 HydrophobicContact CG2-CD1 3.64Å; T44-L246 HydrophobicContact CG2-CD2 4.37Å; T44-L246 HydrophobicContact CG2-CG 3.71Å; T44-Y259 HydrophobicContact CG2-CE1 3.8Å; T44-Y259 PolarHBondContact OG1-OH 3.16Å; T44-Y259 VanDerWaalsContact OG1-OH 3.1Å
45L76.3Confident62.6Low26 Ų2678.3 Ų78.314%0.13642%0.416CS..EExtended strand (participates in β ladder)trans-107.8128.1177.4173.777.4000110.9V47 A50 L101 Y244 L245L45-V47 HydrophobicContact CD2-CG2 4.18Å; L45-A50 HydrophobicContact CD1-CB 4.08Å; L45-L101 HydrophobicContact CD1-CD2 3.65Å; L45-L101 HydrophobicContact CD2-CB 3.85Å; L45-L101 HydrophobicContact CD2-CD1 3.83Å; L45-L101 HydrophobicContact CD2-CD2 3.36Å; L45-L101 HydrophobicContact CD2-CG 3.84Å; L45-L101 HydrophobicContact CG-CD2 4.1Å; L45-Y244 CarbonylContact O-C 3.52Å; L45-Y244 WeakPolarHBondContact O-CA 3.23Å; L45-L245 HydrophobicContact CB-CB 4.43Å; L45-L245 HydrophobicContact CD2-CB 4.29Å; L45-L245 HydrophobicContact CD2-CD1 4.03Å; L45-L245 HydrophobicContact CD2-CG 4.5Å; L45-L245 PolarHBondContact N-O 3.39Å; L45-L245 PolarHBondContact O-N 2.79Å
46D85Confident64.7Low41 Ų4174.7 Ų74.722%0.21940%0.399CS..EExtended strand (participates in β ladder)trans-83113.8160.3-177.4-20.1000110.2L48 T49 A50 Y244D46-L48 PolarHBondContact OD1-N 3.33Å; D46-T49 VanDerWaalsContact CG-CB 3.44Å; D46-T49 PolarHBondContact OD1-N 3.22Å; D46-T49 WeakPolarHBondContact OD2-CB 3.44Å; D46-T49 PolarHBondContact OD2-OG1 3.27Å; D46-A50 WeakPolarHBondContact O-CB 3.31Å; D46-A50 PolarHBondContact O-N 3.1Å; D46-Y244 HydrophobicContact CB-CD1 3.95Å; D46-Y244 HydrophobicContact CB-CE1 3.75Å
47V83.5Confident66.1Low0 Ų067.9 Ų67.90%039%0.385CS..Hα-helixtrans-75.6-35.6-177.5-171.90000111.4L45 A50 V51 I96 V231 F243 L245L45-V47 HydrophobicContact CD2-CG2 4.18Å; V47-A50 PolarHBondContact O-N 3.5Å; V47-V51 WeakPolarHBondContact O-CG2 3.38Å; V47-V51 PolarHBondContact O-N 2.85Å; V47-I96 HydrophobicContact CG1-CD1 3.82Å; V47-V231 HydrophobicContact CG1-CB 4.48Å; V47-V231 HydrophobicContact CG1-CG1 3.94Å; V47-V231 HydrophobicContact CG1-CG2 3.81Å; V47-F243 HydrophobicContact CB-CB 4.14Å; V47-F243 HydrophobicContact CB-CD1 3.8Å; V47-F243 HydrophobicContact CB-CD2 4.33Å; V47-F243 HydrophobicContact CB-CE1 4.26Å; V47-F243 HydrophobicContact CB-CG 3.84Å; V47-F243 WeakPolarHBondContact CB-O 3.41Å; V47-F243 HydrophobicContact CG1-CD1 3.8Å; V47-F243 HydrophobicContact CG1-CE1 3.91Å; V47-F243 HydrophobicContact CG1-CG 4.35Å; V47-F243 HydrophobicContact CG2-CD1 4.21Å; V47-F243 HydrophobicContact CG2-CD2 3.97Å; V47-F243 HydrophobicContact CG2-CE1 4.38Å; V47-F243 HydrophobicContact CG2-CE2 4.11Å; V47-F243 HydrophobicContact CG2-CG 4.01Å; V47-F243 HydrophobicContact CG2-CZ 4.33Å; V47-F243 PolarHBondContact N-O 2.76Å; V47-L245 HydrophobicContact CG2-CB 4.43Å; V47-L245 HydrophobicContact CG2-CD1 3.87Å; V47-L245 HydrophobicContact CG2-CG 3.6Å
48L85.3Confident67.9Low8 Ų863.5 Ų63.54%0.04236%0.358CS..Hα-helixtrans-68.6-42.7-179.7-61.9-166000110.6D46 V51 R52 I53 Y86 I240 E241 F243D46-L48 PolarHBondContact OD1-N 3.33Å; L48-V51 WeakPolarHBondContact O-CG2 3.36Å; L48-R52 PolarHBondContact O-N 3.12Å; L48-I53 HydrophobicContact CB-CB 4.48Å; L48-I53 HydrophobicContact CB-CG2 3.8Å; L48-I53 HydrophobicContact CD2-CD1 3.91Å; L48-I53 PolarHBondContact O-N 3.04Å; L48-Y86 HydrophobicContact CD1-CD2 4.12Å; L48-Y86 HydrophobicContact CD1-CE2 4.43Å; L48-I240 HydrophobicContact CD1-CG1 4.45Å; L48-I240 HydrophobicContact CD1-CG2 4.43Å; L48-I240 HydrophobicContact CD2-CD1 4.28Å; L48-I240 HydrophobicContact CD2-CG2 4.42Å; L48-E241 VanDerWaalsContact CD1-O 3.25Å; L48-E241 WeakPolarHBondContact CD1-O 3.24Å; L48-F243 HydrophobicContact CD1-CB 4.44Å; L48-F243 HydrophobicContact CD2-CB 3.78Å; L48-F243 HydrophobicContact CD2-CD1 4.42Å; L48-F243 HydrophobicContact CG-CB 3.77Å
49T83.4Confident70.3Confident70 Ų7056.8 Ų56.843%0.42933%0.328SS..Hα-helixtrans-67.3-37.8172.7-62.90000111.2D46 R52D46-T49 VanDerWaalsContact CG-CB 3.44Å; D46-T49 PolarHBondContact OD1-N 3.22Å; D46-T49 WeakPolarHBondContact OD2-CB 3.44Å; D46-T49 PolarHBondContact OD2-OG1 3.27Å; T49-R52 WeakPolarHBondContact O-CA 3.42Å; T49-R52 PolarHBondContact O-N 2.93Å
50A80.2Confident72.5Confident41 Ų4158.6 Ų58.634%0.33933%0.33SS..Hα-helixtrans-67.3-36.4178.800000114.5L45 D46 V47 I96 L101L45-A50 HydrophobicContact CD1-CB 4.08Å; D46-A50 WeakPolarHBondContact O-CB 3.31Å; D46-A50 PolarHBondContact O-N 3.1Å; V47-A50 PolarHBondContact O-N 3.5Å; A50-I96 HydrophobicContact CB-CD1 4.41Å; A50-L101 HydrophobicContact CB-CD2 4.07Å
51V80.2Confident74.4Confident12 Ų1261.7 Ų61.77%0.07335%0.345CS..THydrogen-bonded Turntrans-80.1-4.2170.1-58.40000113V47 L48 I53 Q56 L94 I96V47-V51 WeakPolarHBondContact O-CG2 3.38Å; V47-V51 PolarHBondContact O-N 2.85Å; L48-V51 WeakPolarHBondContact O-CG2 3.36Å; V51-I53 HydrophobicContact CG2-CB 3.89Å; V51-Q56 PolarHBondContact O-NE2 3.45Å; V51-L94 HydrophobicContact CB-CB 4.48Å; V51-L94 HydrophobicContact CB-CD1 4.36Å; V51-L94 HydrophobicContact CG1-CB 4.09Å; V51-L94 HydrophobicContact CG2-CD1 3.97Å; V51-I96 HydrophobicContact CG1-CD1 3.55Å; V51-I96 HydrophobicContact CG1-CG1 3.56Å
52R83.3Confident76Confident105 Ų10559.8 Ų59.840%0.39633%0.333SS..THydrogen-bonded Turntrans50.454.2-171.2-50.5-166.9-172.2-179.4-1.8112.4F33 L48 T49 S54 E55 Q56F33-R52 VanDerWaalsContact CZ-NH2 3.27Å; L48-R52 PolarHBondContact O-N 3.12Å; T49-R52 WeakPolarHBondContact O-CA 3.42Å; T49-R52 PolarHBondContact O-N 2.93Å; R52-S54 PolarHBondContact O-N 3.14Å; R52-S54 VanDerWaalsContact O-N 3.08Å; R52-E55 HydrophobicContact CB-CB 4.02Å; R52-E55 HydrophobicContact CB-CG 4.19Å; R52-E55 VanDerWaalsContact CD-CD 3.43Å; R52-E55 WeakPolarHBondContact CD-OE2 3.5Å; R52-E55 IonicContact CZ-OE2 3.29Å; R52-E55 IonicContact NE-OE2 3.58Å; R52-E55 IonicContact NH1-OE1 3.2Å; R52-E55 IonicContact NH1-OE2 2.63Å; R52-E55 PolarHBondContact NH1-OE2 2.9Å; R52-E55 WeakPolarHBondContact O-CA 3.22Å; R52-E55 PolarHBondContact O-N 3.06Å; R52-Q56 PolarHBondContact O-N 2.87Å
53I80.7Confident77.4Confident2 Ų254 Ų541%0.0131%0.314CS..THydrogen-bonded Turntrans-57.5-30-171-159.6166.2000113.3L48 V51 E55 Q56 V59 Y86 V88 L232L48-I53 HydrophobicContact CB-CB 4.48Å; L48-I53 HydrophobicContact CB-CG2 3.8Å; L48-I53 HydrophobicContact CD2-CD1 3.91Å; L48-I53 PolarHBondContact O-N 3.04Å; V51-I53 HydrophobicContact CG2-CB 3.89Å; I53-E55 VanDerWaalsContact C-N 3.34Å; I53-Q56 PolarHBondContact O-N 2.87Å; I53-V59 HydrophobicContact CG1-CG1 4.12Å; I53-V59 HydrophobicContact CG1-CG2 4.07Å; I53-Y86 HydrophobicContact CD1-CG 4.23Å; I53-Y86 HydrophobicContact CG1-CD1 4.44Å; I53-Y86 HydrophobicContact CG1-CG 4.32Å; I53-Y86 HydrophobicContact CG2-CD1 3.9Å; I53-Y86 HydrophobicContact CG2-CD2 3.78Å; I53-Y86 HydrophobicContact CG2-CE1 3.86Å; I53-Y86 HydrophobicContact CG2-CE2 3.76Å; I53-Y86 HydrophobicContact CG2-CG 3.86Å; I53-V88 HydrophobicContact CD1-CG2 3.83Å; I53-L232 HydrophobicContact CD1-CD1 4.32Å
54S77.6Confident78.4Confident73 Ų7351.4 Ų51.451%0.5129%0.287SS..THydrogen-bonded Turntrans-72-21.2174.751.50000114.4R52R52-S54 PolarHBondContact O-N 3.14Å; R52-S54 VanDerWaalsContact O-N 3.08Å
55E77.2Confident79.3Confident119 Ų11952.4 Ų52.456%0.55629%0.288SS*.THydrogen-bonded Turntrans-92-12.2172.9-62.2-179.9-166.200112.2R52 I53 A57R52-E55 HydrophobicContact CB-CB 4.02Å; R52-E55 HydrophobicContact CB-CG 4.19Å; R52-E55 VanDerWaalsContact CD-CD 3.43Å; R52-E55 WeakPolarHBondContact CD-OE2 3.5Å; R52-E55 IonicContact CZ-OE2 3.29Å; R52-E55 IonicContact NE-OE2 3.58Å; R52-E55 IonicContact NH1-OE1 3.2Å; R52-E55 IonicContact NH1-OE2 2.63Å; R52-E55 PolarHBondContact NH1-OE2 2.9Å; R52-E55 WeakPolarHBondContact O-CA 3.22Å; R52-E55 PolarHBondContact O-N 3.06Å; I53-E55 VanDerWaalsContact C-N 3.34Å; E55-A57 PolarHBondContact O-N 3.41Å
56Q74.5Confident79.5Confident71 Ų7152.1 Ų52.133%0.33229%0.288SS..SBendtrans-72.2119.5-179.4-65.6-64.1-26.200111V51 R52 I53 Y58 V59 L94V51-Q56 PolarHBondContact O-NE2 3.45Å; R52-Q56 PolarHBondContact O-N 2.87Å; I53-Q56 PolarHBondContact O-N 2.87Å; Q56-Y58 PolarHBondContact O-N 3.21Å; Q56-V59 HydrophobicContact CB-CG2 3.7Å; Q56-V59 PolarHBondContact O-N 3.22Å; Q56-L94 HydrophobicContact CG-CD2 4.15Å
57A60.4Low78.3Confident51 Ų5159.7 Ų59.742%0.42131%0.313SS..THydrogen-bonded Turntrans-54.8141.717100000110.7E55 V59E55-A57 PolarHBondContact O-N 3.41Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 2.74Å
58Y70.5Confident76.9Confident60 Ų6065.2 Ų65.224%0.23534%0.339CS..THydrogen-bonded Turntrans76.8-6.4176.3-32.7-51.6000116.5Q56 Q60 P89 P324 L325 N326Q56-Y58 PolarHBondContact O-N 3.21Å; Y58-Q60 PolarHBondContact O-N 2.98Å; Y58-P89 WeakPolarHBondContact O-CD 3.42Å; Y58-P89 VanDerWaalsContact O-CG 3.3Å; Y58-P89 WeakPolarHBondContact O-CG 3.19Å; Y58-P324 HydrophobicContact CE1-CB 4.22Å; Y58-L325 WeakPolarHBondContact OH-CB 3.27Å; Y58-L325 PolarHBondContact OH-N 3.23Å; Y58-N326 HydrophobicContact CD1-CB 3.56Å; Y58-N326 HydrophobicContact CD2-CB 4.07Å; Y58-N326 WeakPolarHBondContact CD2-ND2 3.24Å; Y58-N326 HydrophobicContact CE1-CB 3.48Å; Y58-N326 VanDerWaalsContact CE1-CB 3.48Å; Y58-N326 HydrophobicContact CE2-CB 3.98Å; Y58-N326 WeakPolarHBondContact CE2-ND2 3.41Å; Y58-N326 HydrophobicContact CG-CB 3.86Å; Y58-N326 PolarHBondContact OH-N 2.81Å
59V78.3Confident74.7Confident25 Ų2572.4 Ų72.415%0.15238%0.378CS..PPolyproline II helixtrans-68.2129.4163.7-179.60000108.7I53 Q56 A57 Y86 S87 V88 L92I53-V59 HydrophobicContact CG1-CG1 4.12Å; I53-V59 HydrophobicContact CG1-CG2 4.07Å; Q56-V59 HydrophobicContact CB-CG2 3.7Å; Q56-V59 PolarHBondContact O-N 3.22Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 2.74Å; V59-Y86 HydrophobicContact CG1-CD1 3.68Å; V59-Y86 HydrophobicContact CG1-CG 4.14Å; V59-S87 WeakPolarHBondContact CA-O 3.3Å; V59-V88 HydrophobicContact CG1-CG2 4.45Å; V59-V88 HydrophobicContact CG2-CG2 4.36Å; V59-L92 HydrophobicContact CG2-CD2 4.15Å
60Q80.9Confident72.4Confident138 Ų13874.8 Ų74.865%0.64540%0.397SS*.EExtended strand (participates in β ladder)trans-95.5134.6173.8-65-175.7-16.300109.5Y58 Y86 S87Y58-Q60 PolarHBondContact O-N 2.98Å; Q60-Y86 CarbonylContact O-C 3.6Å; Q60-Y86 WeakPolarHBondContact O-CA 3.47Å; Q60-S87 PolarHBondContact N-O 2.74Å; Q60-S87 PolarHBondContact O-N 2.88Å
61T84Confident70.1Confident99 Ų9980.2 Ų80.261%0.60742%0.421SS*.EExtended strand (participates in β ladder)trans-87.7144169.949.10000110.9V84 A85 Y86T61-V84 HydrophobicContact CG2-CG1 3.58Å; T61-A85 CarbonylContact C-O 3.45Å; T61-A85 WeakPolarHBondContact CA-O 3.46Å; T61-Y86 HydrophobicContact CG2-CD1 3.96Å; T61-Y86 HydrophobicContact CG2-CE1 3.79Å
62S79.4Confident67.9Low24 Ų2486.8 Ų86.817%0.16846%0.455CS..EExtended strand (participates in β ladder)trans-134.7163.2171.572.50000109.7G64 A85 F239S62-G64 PolarHBondContact O-N 2.92Å; S62-A85 PolarHBondContact N-O 3.16Å; S62-A85 PolarHBondContact O-N 2.99Å; S62-F239 WeakPolarHBondContact OG-CD1 3.25Å
63P77.6Confident65.8Low85 Ų8588.7 Ų88.755%0.55247%0.473SS*.EExtended strand (participates in β ladder)trans-53.5137.5162.1-22.534000110
64G80.8Confident63.4Low5 Ų593.7 Ų93.75%0.05251%0.514CS..  trans-71.3-162.8173.900000113.1S62 C66 N83 E241S62-G64 PolarHBondContact O-N 2.92Å; G64-C66 VanDerWaalsContact C-N 3.33Å; G64-N83 PolarHBondContact N-O 3.22Å; G64-E241 WeakPolarHBondContact CA-OE1 3.36Å
65R86.8Confident61.1Low45 Ų4596.1 Ų96.117%0.1753%0.526CS..SBendtrans-66.4-37.3175.3-176.8172.854.890.72.7111.2W190 E241 S260 P261R65-W190 HydrophobicContact CB-CD2 4.07Å; R65-W190 HydrophobicContact CB-CG 4.12Å; R65-W190 HydrophobicContact CG-CB 4.11Å; R65-W190 HydrophobicContact CG-CD2 4.49Å; R65-W190 HydrophobicContact CG-CG 4.04Å; R65-E241 WeakPolarHBondContact CB-OE2 3.38Å; R65-E241 PolarHBondContact N-OE1 3.3Å; R65-E241 IonicContact NE-OE2 2.72Å; R65-S260 PolarHBondContact NH2-O 3.32Å; R65-S260 PolarHBondContact NH2-OG 2.87Å; R65-P261 PolarHBondContact NH1-O 3.29Å; R65-P261 PolarHBondContact NH2-O 3.43Å
66C80Confident59Low20 Ų2094.2 Ų94.214%0.13553%0.526CS..SBendtrans-94.2117.6175.3-57.90000111.4G64 C263G64-C66 VanDerWaalsContact C-N 3.33Å; C66-C263 WeakPolarHBondContact CA-SG 3.42Å; C66-C263 HydrophobicContact CB-CB 3.84Å; C66-C263 WeakPolarHBondContact CB-SG 3.41Å; C66-C263 WeakPolarHBondContact SG-CA 3.46Å; C66-C263 WeakPolarHBondContact SG-CB 3.17Å; C66-C263 CovalentContact SG-SG 2.04Å; C66-C263 PolarHBondContact SG-SG 2.94Å
67R59.9Low57Low201 Ų20196.2 Ų96.276%0.75855%0.548SS*.  trans-90.7127.5166.3-71-179.6173.8177.6-3.6108.6
68Q53.9Low55.9Low115 Ų11599 Ų9954%0.53756%0.555SS.*  trans-121.1132.2161.4-81.1-174.8-54.500108.4
69D39.7Very low54.4Low160 Ų16099.7 Ų99.786%0.85657%0.566SS**  trans-68.1133.4171.8-79.1-36000109.9N71D69-N71 VanDerWaalsContact C-N 3.26Å; D69-N71 PolarHBondContact O-N 3.01Å
70S35.2Very low52.6Low120 Ų120102.4 Ų102.484%0.83959%0.591SS**THydrogen-bonded Turntrans-79.364.5-169.660.60000112.7
71N32.3Very low51Low155 Ų155101.7 Ų101.783%0.82959%0.587SS**THydrogen-bonded Turntrans-138.6-4.8-179.1-104.4-11.7000117D69D69-N71 VanDerWaalsContact C-N 3.26Å; D69-N71 PolarHBondContact O-N 3.01Å
72D32.1Very low49.6Very low150 Ų150102.4 Ų102.480%0.80258%0.579SS**SBendtrans-128.6136.7176.4-89.6-54000114.3
73L40.8Very low48.9Very low145 Ų145103.5 Ų103.576%0.75958%0.583SS**  trans65.282.6175.9-81.778.2000119.1T75L73-T75 PolarHBondContact O-N 3.29Å
74A29.8Very low49Very low107 Ų107101.2 Ų101.288%0.88457%0.568SS**  trans-7460.7155.800000113.2
75T29.8Very low49.3Very low124 Ų124101 Ų10176%0.76157%0.565SS**  trans-153.352.7172.437.40000114.7L73L73-T75 PolarHBondContact O-N 3.29Å
76S32.6Very low49.4Very low78 Ų7899.8 Ų99.855%0.54556%0.561SS.*  trans-166.8117.6152.4-176.70000111.2N78S76-N78 PolarHBondContact O-N 2.89Å; S76-N78 VanDerWaalsContact O-N 3.11Å
77S31.6Very low49.7Very low113 Ų11399.9 Ų99.979%0.7956%0.561SS**THydrogen-bonded Turntrans-71.7-0.2-176.754.30000115.2
78N37.2Very low50.8Low109 Ų10990.3 Ų90.358%0.58353%0.525SS*.THydrogen-bonded Turntrans-114.24.7-168.7-65.10.5000114.5S76S76-N78 PolarHBondContact O-N 2.89Å; S76-N78 VanDerWaalsContact O-N 3.11Å
79V40.6Very low51.8Low76 Ų7687.3 Ų87.346%0.46152%0.516SS..SBendtrans-100.8-23.2-179.4-176.30000112.6E81 R82V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.12Å; V79-R82 PolarHBondContact O-N 3.32Å
80A39.3Very low53.4Low82 Ų8288 Ų8868%0.67851%0.507SS*.THydrogen-bonded Turntrans-64.4-26.3-171.200000115.4
81E48.4Very low55Low122 Ų12284 Ų8457%0.5748%0.484SS*.THydrogen-bonded Turntrans-83.9-21.6179.5-70.9-177155.700113.6V79 N83 V84V79-E81 VanDerWaalsContact C-N 3.33Å; V79-E81 PolarHBondContact O-N 3.12Å; E81-N83 VanDerWaalsContact C-N 3.34Å; E81-N83 PolarHBondContact O-N 3.13Å; E81-V84 PolarHBondContact O-N 3.21Å
82R54.4Low56.8Low115 Ų11577.9 Ų77.943%0.43445%0.452SS..THydrogen-bonded Turntrans-75.2-15.8-174.6-80.7-171.4175.9-170.5-3115.4V79V79-R82 PolarHBondContact O-N 3.32Å
83N64.7Low58.8Low46 Ų4673.2 Ų73.225%0.24643%0.427CS..THydrogen-bonded Turntrans-101.318.8176.2-66.1-18.8000112G64 E81G64-N83 PolarHBondContact N-O 3.22Å; E81-N83 VanDerWaalsContact C-N 3.34Å; E81-N83 PolarHBondContact O-N 3.13Å
84V78.4Confident60.6Low38 Ų3866.7 Ų66.723%0.2339%0.393CS..EExtended strand (participates in β ladder)trans-112.9119.2-179.9-176.70000109.3T61 E81 Y86T61-V84 HydrophobicContact CG2-CG1 3.58Å; E81-V84 PolarHBondContact O-N 3.21Å; V84-Y86 HydrophobicContact CG1-CE1 4.21Å; V84-Y86 WeakPolarHBondContact O-CE2 3.32Å
85A87.5Confident63Low0 Ų067.4 Ų67.40%037%0.373CS..EExtended strand (participates in β ladder)trans-100.7157.4169.600000112T61 S62 W190 F239 I240 E241T61-A85 CarbonylContact C-O 3.45Å; T61-A85 WeakPolarHBondContact CA-O 3.46Å; S62-A85 PolarHBondContact N-O 3.16Å; S62-A85 PolarHBondContact O-N 2.99Å; A85-W190 HydrophobicContact CB-CH2 3.53Å; A85-W190 HydrophobicContact CB-CZ2 4.08Å; A85-F239 HydrophobicContact CB-CB 4.09Å; A85-I240 CarbonylContact C-O 3.48Å; A85-I240 VanDerWaalsContact CA-O 3.31Å; A85-I240 WeakPolarHBondContact CA-O 3.49Å; A85-E241 HydrophobicContact CB-CB 4.15Å
86Y89.1Confident65.3Low19 Ų1962.3 Ų62.38%0.07534%0.341CS..EExtended strand (participates in β ladder)trans-119127.4-172.3-59-82.2000110.5L48 I53 V59 Q60 T61 V84 F239 I240L48-Y86 HydrophobicContact CD1-CD2 4.12Å; L48-Y86 HydrophobicContact CD1-CE2 4.43Å; I53-Y86 HydrophobicContact CD1-CG 4.23Å; I53-Y86 HydrophobicContact CG1-CD1 4.44Å; I53-Y86 HydrophobicContact CG1-CG 4.32Å; I53-Y86 HydrophobicContact CG2-CD1 3.9Å; I53-Y86 HydrophobicContact CG2-CD2 3.78Å; I53-Y86 HydrophobicContact CG2-CE1 3.86Å; I53-Y86 HydrophobicContact CG2-CE2 3.76Å; I53-Y86 HydrophobicContact CG2-CG 3.86Å; V59-Y86 HydrophobicContact CG1-CD1 3.68Å; V59-Y86 HydrophobicContact CG1-CG 4.14Å; Q60-Y86 CarbonylContact O-C 3.6Å; Q60-Y86 WeakPolarHBondContact O-CA 3.47Å; T61-Y86 HydrophobicContact CG2-CD1 3.96Å; T61-Y86 HydrophobicContact CG2-CE1 3.79Å; V84-Y86 HydrophobicContact CG1-CE1 4.21Å; V84-Y86 WeakPolarHBondContact O-CE2 3.32Å; Y86-F239 WeakPolarHBondContact O-CA 3.5Å; Y86-I240 PolarHBondContact N-O 2.62Å; Y86-I240 PolarHBondContact O-N 3.05Å
87S87.5Confident67.4Low22 Ų2264.3 Ų64.315%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-99.7124.3166.3-160.80000109.2V59 Q60 G238V59-S87 WeakPolarHBondContact CA-O 3.3Å; Q60-S87 PolarHBondContact N-O 2.74Å; Q60-S87 PolarHBondContact O-N 2.88Å; S87-G238 WeakPolarHBondContact CA-O 3.07Å; S87-G238 WeakPolarHBondContact CB-O 3.31Å; S87-G238 PolarHBondContact OG-O 2.99Å
88V82.4Confident69.1Low0 Ų059 Ų590%031%0.305CS..  trans-110112.6-172.7-174.30000109.3I53 V59 L92 L232 G235 I236I53-V88 HydrophobicContact CD1-CG2 3.83Å; V59-V88 HydrophobicContact CG1-CG2 4.45Å; V59-V88 HydrophobicContact CG2-CG2 4.36Å; V88-L92 HydrophobicContact CG1-CB 4.02Å; V88-L92 HydrophobicContact CG1-CD2 3.64Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; V88-L232 HydrophobicContact CG2-CD1 3.84Å; V88-G235 CarbonylContact O-C 3.59Å; V88-G235 VanDerWaalsContact O-CA 3.27Å; V88-G235 WeakPolarHBondContact O-CA 3.21Å; V88-I236 PolarHBondContact O-N 3.24Å; V88-I236 VanDerWaalsContact O-O 3.04Å
89P75.1Confident70.5Confident53 Ų5361.1 Ų61.134%0.34431%0.305SS..  trans-69159.4-171.329.2-37.3000113.2Y58 G91 L92Y58-P89 WeakPolarHBondContact O-CD 3.42Å; Y58-P89 VanDerWaalsContact O-CG 3.3Å; Y58-P89 WeakPolarHBondContact O-CG 3.19Å; P89-G91 PolarHBondContact O-N 2.84Å; P89-L92 PolarHBondContact O-N 3.05Å
90R73.1Confident71.6Confident173 Ų17361.6 Ų61.665%0.65331%0.312SS*.THydrogen-bonded Turntrans-53.7135.4177.5-72.1-168.9175.3153.215.8112D234 H237R90-D234 WeakPolarHBondContact CA-O 3.33Å; R90-H237 WeakPolarHBondContact CG-NE2 3.28Å; R90-H237 VanDerWaalsContact CZ-NE2 3.34Å; R90-H237 PolarHBondContact NE-CE1 2.86Å; R90-H237 PolarHBondContact NE-NE2 3.11Å; R90-H237 PolarHBondContact NH2-CE1 2.82Å; R90-H237 PolarHBondContact NH2-NE2 3.07Å; R90-H237 VanDerWaalsContact NH2-NE2 3.16Å
91G67.4Low72.6Confident36 Ų3658.6 Ų58.637%0.37128%0.284SS..THydrogen-bonded Turntrans91.2-7.3173.400000115.3P89 N93P89-G91 PolarHBondContact O-N 2.84Å; G91-N93 PolarHBondContact O-ND2 2.91Å
92L71.6Confident73.3Confident28 Ų2854.4 Ų54.415%0.14727%0.265CS..  trans-72.9134.4166.3-160.671000109.4V59 V88 P89 L94 D234 G235V59-L92 HydrophobicContact CG2-CD2 4.15Å; V88-L92 HydrophobicContact CG1-CB 4.02Å; V88-L92 HydrophobicContact CG1-CD2 3.64Å; V88-L92 HydrophobicContact CG1-CG 4.4Å; P89-L92 PolarHBondContact O-N 3.05Å; L92-L94 HydrophobicContact CD2-CD2 3.86Å; L92-L94 HydrophobicContact CD2-CG 4.3Å; L92-L94 HydrophobicContact CG-CD2 4.09Å; L92-L94 HydrophobicContact CG-CG 4.49Å; L92-D234 VanDerWaalsContact O-CA 3.23Å; L92-D234 WeakPolarHBondContact O-CA 3.47Å; L92-D234 PolarHBondContact O-N 2.88Å; L92-G235 PolarHBondContact O-N 2.86Å
93N73.2Confident73.4Confident52 Ų5253.8 Ų53.828%0.27828%0.276SS..  trans-130.1108.2179-83-74.4000108.9G91 Y95 Q230 K233 D234G91-N93 PolarHBondContact O-ND2 2.91Å; N93-Y95 HydrophobicContact CB-CE2 3.86Å; N93-Q230 PolarHBondContact OD1-NE2 3.02Å; N93-K233 WeakPolarHBondContact OD1-CA 3.35Å; N93-K233 VanDerWaalsContact OD1-CG 3.3Å; N93-K233 WeakPolarHBondContact OD1-CG 3Å; N93-D234 PolarHBondContact ND2-OD1 2.92Å; N93-D234 PolarHBondContact OD1-N 3.27Å
94L78.3Confident73Confident8 Ų857.4 Ų57.44%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-92.3132.4-177.4-55.6172.6000109.3V51 Q56 L92 Q230 V231 L232V51-L94 HydrophobicContact CB-CB 4.48Å; V51-L94 HydrophobicContact CB-CD1 4.36Å; V51-L94 HydrophobicContact CG1-CB 4.09Å; V51-L94 HydrophobicContact CG2-CD1 3.97Å; Q56-L94 HydrophobicContact CG-CD2 4.15Å; L92-L94 HydrophobicContact CD2-CD2 3.86Å; L92-L94 HydrophobicContact CD2-CG 4.3Å; L92-L94 HydrophobicContact CG-CD2 4.09Å; L92-L94 HydrophobicContact CG-CG 4.49Å; L94-Q230 WeakPolarHBondContact O-CA 3.42Å; L94-V231 HydrophobicContact CB-CB 4.35Å; L94-V231 WeakPolarHBondContact CB-O 3.25Å; L94-V231 PolarHBondContact N-O 2.81Å; L94-V231 PolarHBondContact O-N 3.45Å; L94-L232 HydrophobicContact CD1-CD1 4.49Å
95Y80.6Confident72.1Confident122 Ų12258.7 Ų58.748%0.47831%0.306SS..EExtended strand (participates in β ladder)trans-129147.4179-66.7-85000110.5N93 I229 Q230N93-Y95 HydrophobicContact CB-CE2 3.86Å; Y95-I229 CarbonylContact C-O 3.02Å; Y95-I229 VanDerWaalsContact CA-O 3.3Å; Y95-I229 WeakPolarHBondContact CA-O 3.1Å; Y95-Q230 HydrophobicContact CD1-CB 3.8Å; Y95-Q230 HydrophobicContact CD1-CG 3.96Å; Y95-Q230 HydrophobicContact CE1-CB 3.67Å; Y95-Q230 HydrophobicContact CE1-CG 3.56Å; Y95-Q230 PolarHBondContact OH-NE2 2.8Å
96I79.1Confident70.9Confident16 Ų1659 Ų598%0.08231%0.307CS..EExtended strand (participates in β ladder)trans-137.3140.5174.4-37.6164.6000108.6V47 A50 V51 L101 I229 V231V47-I96 HydrophobicContact CG1-CD1 3.82Å; A50-I96 HydrophobicContact CB-CD1 4.41Å; V51-I96 HydrophobicContact CG1-CD1 3.55Å; V51-I96 HydrophobicContact CG1-CG1 3.56Å; I96-L101 HydrophobicContact CB-CD1 3.85Å; I96-L101 HydrophobicContact CB-CD2 4.35Å; I96-L101 HydrophobicContact CB-CG 4.22Å; I96-L101 HydrophobicContact CD1-CD1 3.86Å; I96-L101 HydrophobicContact CD1-CD2 4.2Å; I96-L101 HydrophobicContact CG1-CD1 4.46Å; I96-L101 HydrophobicContact CG2-CD1 3.83Å; I96-L101 HydrophobicContact CG2-CD2 3.47Å; I96-L101 VanDerWaalsContact CG2-CD2 3.47Å; I96-L101 HydrophobicContact CG2-CG 3.63Å; I96-I229 PolarHBondContact N-O 2.9Å; I96-I229 PolarHBondContact O-N 2.95Å; I96-V231 HydrophobicContact CD1-CG2 4.22Å
97E75Confident69.8Low121 Ų12159.3 Ų59.357%0.56531%0.312SS*.EExtended strand (participates in β ladder)trans-71.3134.7170.3-63.2-157.7146.300109.9R99 S100E97-R99 PolarHBondContact O-N 3.45Å; E97-S100 PolarHBondContact O-N 3.2Å; E97-S100 PolarHBondContact O-OG 3.19Å
98G68Low68.7Low2 Ų261.5 Ų61.52%0.02133%0.325CS..Hα-helixtrans-59.3-25.7-179.300000113.1L101 I102 N225 G227G98-L101 PolarHBondContact O-N 2.78Å; G98-I102 PolarHBondContact O-N 3.26Å; G98-N225 CarbonylContact C-O 3.47Å; G98-N225 VanDerWaalsContact CA-O 3.23Å; G98-N225 WeakPolarHBondContact CA-O 3.33Å; G98-G227 PolarHBondContact N-O 3.15Å
99R67.4Low68.5Low153 Ų15363.6 Ų63.658%0.57734%0.337SS*.Hα-helixtrans-78.8-25-176.1-165.1178.1-175.4-165.2-1.2113.2E97 N225E97-R99 PolarHBondContact O-N 3.45Å; R99-N225 PolarHBondContact N-O 3.27Å
100S62.7Low68.8Low86 Ų8661.1 Ų61.160%0.60132%0.321SS*.Hα-helixtrans-79.8-8.2168.944.70000112.6E97E97-S100 PolarHBondContact O-N 3.2Å; E97-S100 PolarHBondContact O-OG 3.19Å
101L61.7Low69.4Low19 Ų1952.9 Ų52.910%0.09929%0.289CS..Hα-helixtrans-105.4-42.3-179-61.8-171000113.7L45 A50 I96 G98 I229L45-L101 HydrophobicContact CD1-CD2 3.65Å; L45-L101 HydrophobicContact CD2-CB 3.85Å; L45-L101 HydrophobicContact CD2-CD1 3.83Å; L45-L101 HydrophobicContact CD2-CD2 3.36Å; L45-L101 HydrophobicContact CD2-CG 3.84Å; L45-L101 HydrophobicContact CG-CD2 4.1Å; A50-L101 HydrophobicContact CB-CD2 4.07Å; I96-L101 HydrophobicContact CB-CD1 3.85Å; I96-L101 HydrophobicContact CB-CD2 4.35Å; I96-L101 HydrophobicContact CB-CG 4.22Å; I96-L101 HydrophobicContact CD1-CD1 3.86Å; I96-L101 HydrophobicContact CD1-CD2 4.2Å; I96-L101 HydrophobicContact CG1-CD1 4.46Å; I96-L101 HydrophobicContact CG2-CD1 3.83Å; I96-L101 HydrophobicContact CG2-CD2 3.47Å; I96-L101 VanDerWaalsContact CG2-CD2 3.47Å; I96-L101 HydrophobicContact CG2-CG 3.63Å; G98-L101 PolarHBondContact O-N 2.78Å; L101-I229 HydrophobicContact CD1-CB 4.38Å; L101-I229 HydrophobicContact CD1-CD1 3.48Å; L101-I229 VanDerWaalsContact CD1-CD1 3.48Å; L101-I229 HydrophobicContact CD1-CG1 3.96Å
102I62.9Low70.5Confident34 Ų3451.1 Ų51.117%0.17427%0.272CS..  trans-131.2108.1174.4-46.4-167.8000107.2G98 D104 F106 P107 N225G98-I102 PolarHBondContact O-N 3.26Å; I102-D104 CarbonylContact C-O 3.1Å; I102-D104 VanDerWaalsContact CG2-O 3.31Å; I102-D104 WeakPolarHBondContact CG2-O 3.42Å; I102-D104 PolarHBondContact O-N 3.11Å; I102-F106 HydrophobicContact CD1-CD1 4.33Å; I102-F106 HydrophobicContact CD1-CD2 3.42Å; I102-F106 VanDerWaalsContact CD1-CD2 3.42Å; I102-F106 HydrophobicContact CD1-CE1 4.44Å; I102-F106 HydrophobicContact CD1-CE2 3.5Å; I102-F106 HydrophobicContact CD1-CG 3.84Å; I102-F106 HydrophobicContact CD1-CZ 4.05Å; I102-F106 HydrophobicContact CG1-CD2 4.03Å; I102-F106 HydrophobicContact CG1-CE2 4.09Å; I102-P107 HydrophobicContact CD1-CG 4.41Å; I102-N225 PolarHBondContact O-ND2 3.4Å
103P56.2Low71.4Confident101 Ų10149.8 Ų49.866%0.65627%0.265SS*.SBendtrans-67.4-25.3-176.725.8-33.5000112.6N225P103-N225 PolarHBondContact O-ND2 3.24Å
104D56Low72.2Confident123 Ų12347.3 Ų47.366%0.65825%0.252SS*.SBendtrans-95.3173.8169.4-62.9-54.7000111.7I102 N225I102-D104 CarbonylContact C-O 3.1Å; I102-D104 VanDerWaalsContact CG2-O 3.31Å; I102-D104 WeakPolarHBondContact CG2-O 3.42Å; I102-D104 PolarHBondContact O-N 3.11Å; D104-N225 VanDerWaalsContact C-ND2 3.29Å; D104-N225 WeakPolarHBondContact O-CB 3.29Å; D104-N225 PolarHBondContact O-ND2 2.94Å
105S60.2Low72.9Confident65 Ų6547 Ų4746%0.45525%0.25SC..PPolyproline II helixtrans-59.3141.5178.561.30000111.3
106F61.7Low73.4Confident5 Ų541.1 Ų41.12%0.02223%0.227CC..BIsolated β-bridgetrans-56.5131-178.5-142.6-94.3000110I102 L110 L129 I223 I229I102-F106 HydrophobicContact CD1-CD1 4.33Å; I102-F106 HydrophobicContact CD1-CD2 3.42Å; I102-F106 VanDerWaalsContact CD1-CD2 3.42Å; I102-F106 HydrophobicContact CD1-CE1 4.44Å; I102-F106 HydrophobicContact CD1-CE2 3.5Å; I102-F106 HydrophobicContact CD1-CG 3.84Å; I102-F106 HydrophobicContact CD1-CZ 4.05Å; I102-F106 HydrophobicContact CG1-CD2 4.03Å; I102-F106 HydrophobicContact CG1-CE2 4.09Å; F106-L110 HydrophobicContact CE1-CD1 3.7Å; F106-L110 HydrophobicContact CE1-CD2 3.86Å; F106-L110 HydrophobicContact CE1-CG 4.24Å; F106-L110 HydrophobicContact CZ-CD1 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.23Å; F106-L129 HydrophobicContact CD1-CD2 4.03Å; F106-L129 HydrophobicContact CE1-CD2 3.74Å; F106-L129 HydrophobicContact CE2-CD1 4.2Å; F106-L129 HydrophobicContact CE2-CD2 4.48Å; F106-L129 HydrophobicContact CG-CD2 4.49Å; F106-L129 HydrophobicContact CZ-CD1 4.35Å; F106-L129 HydrophobicContact CZ-CD2 4Å; F106-I223 HydrophobicContact CB-CB 3.55Å; F106-I223 HydrophobicContact CB-CD1 4.24Å; F106-I223 HydrophobicContact CB-CG1 4.46Å; F106-I223 HydrophobicContact CB-CG2 3.56Å; F106-I223 HydrophobicContact CD1-CD1 4.06Å; F106-I223 HydrophobicContact CG-CB 4.46Å; F106-I223 HydrophobicContact CG-CD1 4.49Å; F106-I223 HydrophobicContact CG-CG2 4.13Å; F106-I223 PolarHBondContact N-O 3.35Å; F106-I229 HydrophobicContact CE2-CD1 3.79Å; F106-I229 HydrophobicContact CZ-CD1 4.16Å
107P65.6Low73.8Confident26 Ų2645.3 Ų45.317%0.16924%0.242CC..PPolyproline II helixtrans-65.2148.7-177.529.2-35.9000110.4I102 D109 P247I102-P107 HydrophobicContact CD1-CG 4.41Å; P107-D109 WeakPolarHBondContact CB-O 3.27Å; P107-D109 WeakPolarHBondContact CG-O 3.21Å; P107-D109 PolarHBondContact O-N 2.84Å; P107-P247 HydrophobicContact CG-CB 3.97Å
108P65.4Low74.3Confident68 Ų6839.8 Ų39.844%0.44222%0.216SC..SBendtrans-62.6-36.9176.526.2-33.2000111.1T199 R218P108-T199 HydrophobicContact CB-CG2 4.03Å; P108-R218 PolarHBondContact O-NH1 3.36Å
109D77.1Confident74.9Confident44 Ų4444.8 Ų44.824%0.23524%0.238CC..SBendtrans-103.6132.1178.2-48.1-53.3000110.3P107 I197 G198 T199 G248 E249P107-D109 WeakPolarHBondContact CB-O 3.27Å; P107-D109 WeakPolarHBondContact CG-O 3.21Å; P107-D109 PolarHBondContact O-N 2.84Å; D109-I197 WeakPolarHBondContact CA-O 3.14Å; D109-G198 VanDerWaalsContact OD1-CA 3.23Å; D109-G198 WeakPolarHBondContact OD1-CA 3.47Å; D109-T199 WeakPolarHBondContact OD1-CG2 3.29Å; D109-T199 PolarHBondContact OD1-N 3.17Å; D109-G248 PolarHBondContact O-N 3.36Å; D109-E249 HydrophobicContact CB-CG 4.12Å
110L81.7Confident75.1Confident1 Ų143.2 Ų43.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-142.4142-174.4179.988.9000110F106 I112 I197 L245 L246 G248F106-L110 HydrophobicContact CE1-CD1 3.7Å; F106-L110 HydrophobicContact CE1-CD2 3.86Å; F106-L110 HydrophobicContact CE1-CG 4.24Å; F106-L110 HydrophobicContact CZ-CD1 3.95Å; F106-L110 HydrophobicContact CZ-CD2 4.23Å; L110-I112 HydrophobicContact CD2-CD1 3.59Å; L110-I112 HydrophobicContact CD2-CG1 3.48Å; L110-I112 VanDerWaalsContact CD2-CG1 3.48Å; L110-I112 HydrophobicContact CG-CG1 4.17Å; L110-I197 PolarHBondContact N-O 3.37Å; L110-I197 WeakPolarHBondContact O-CA 3.16Å; L110-I197 WeakPolarHBondContact O-CB 3.46Å; L110-I197 PolarHBondContact O-N 3.43Å; L110-L245 HydrophobicContact CD2-CD2 4.41Å; L110-L246 WeakPolarHBondContact CD1-O 3.21Å; L110-G248 CarbonylContact C-O 3.2Å
111S86.4Confident75Confident0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-108.8133.8166.2-59.30000111.2V195 L246 G248 E249 G251S111-V195 WeakPolarHBondContact CA-O 3.29Å; S111-L246 PolarHBondContact N-O 2.79Å; S111-L246 PolarHBondContact O-N 3.4Å; S111-G248 PolarHBondContact N-O 3.45Å; S111-G248 PolarHBondContact OG-O 3.4Å; S111-E249 PolarHBondContact OG-O 3.01Å; S111-G251 PolarHBondContact OG-N 2.53Å
112I89Confident75.2Confident0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-116.3115.8-179.5-57.6-164.6000108.1L110 F114 F127 I140 A194 V195 I197 F243 L245L110-I112 HydrophobicContact CD2-CD1 3.59Å; L110-I112 HydrophobicContact CD2-CG1 3.48Å; L110-I112 VanDerWaalsContact CD2-CG1 3.48Å; L110-I112 HydrophobicContact CG-CG1 4.17Å; I112-F114 HydrophobicContact CG2-CD1 4.24Å; I112-F114 HydrophobicContact CG2-CE1 4.43Å; I112-F127 HydrophobicContact CD1-CD1 3.95Å; I112-F127 HydrophobicContact CD1-CE1 3.82Å; I112-F127 HydrophobicContact CD1-CG 4.42Å; I112-F127 HydrophobicContact CD1-CZ 4.17Å; I112-I140 HydrophobicContact CD1-CD1 3.72Å; I112-I140 HydrophobicContact CG2-CD1 4.34Å; I112-A194 WeakPolarHBondContact O-CA 3.25Å; I112-V195 PolarHBondContact N-O 2.71Å; I112-V195 PolarHBondContact O-N 2.75Å; I112-I197 HydrophobicContact CD1-CD1 3.77Å; I112-I197 HydrophobicContact CG1-CD1 4.11Å; I112-F243 HydrophobicContact CG2-CE2 3.7Å; I112-F243 HydrophobicContact CG2-CZ 4.31Å; I112-L245 HydrophobicContact CB-CD2 4.2Å; I112-L245 HydrophobicContact CD1-CD2 4.02Å; I112-L245 HydrophobicContact CG1-CD2 3.67Å; I112-L245 HydrophobicContact CG2-CD2 4.04Å
113L90.9Very high75.7Confident0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-122.6127.4-168.1-85.662.9000109.2V193 A194 F243 Y244 L246 Q255 Y259L113-V193 WeakPolarHBondContact CA-O 3.4Å; L113-A194 HydrophobicContact CD1-CB 4.01Å; L113-A194 HydrophobicContact CG-CB 3.86Å; L113-F243 CarbonylContact O-C 3.52Å; L113-F243 WeakPolarHBondContact O-CA 2.99Å; L113-F243 WeakPolarHBondContact O-CD2 3.22Å; L113-Y244 PolarHBondContact N-O 3.32Å; L113-Y244 PolarHBondContact O-N 2.8Å; L113-L246 HydrophobicContact CD1-CD1 4.19Å; L113-L246 HydrophobicContact CD2-CD1 3.81Å; L113-L246 HydrophobicContact CD2-CD2 4.49Å; L113-L246 HydrophobicContact CG-CD1 4.42Å; L113-Q255 HydrophobicContact CD2-CB 3.95Å; L113-Q255 VanDerWaalsContact CD2-OE1 3.24Å; L113-Q255 HydrophobicContact CG-CB 4.1Å; L113-Q255 HydrophobicContact CG-CG 4.41Å; L113-Y259 HydrophobicContact CD2-CD2 3.49Å; L113-Y259 VanDerWaalsContact CD2-CD2 3.49Å; L113-Y259 HydrophobicContact CD2-CE2 3.99Å; L113-Y259 HydrophobicContact CD2-CG 4.14Å
114F91.3Very high76.7Confident0 Ų046.1 Ų46.10%024%0.239CC..EExtended strand (participates in β ladder)trans-153.2152.8179.555.8-86.8000113.2I112 I116 F126 I142 L146 V193 D242 F243I112-F114 HydrophobicContact CG2-CD1 4.24Å; I112-F114 HydrophobicContact CG2-CE1 4.43Å; F114-I116 HydrophobicContact CD2-CB 4.15Å; F114-I116 HydrophobicContact CD2-CG2 3.86Å; F114-I116 HydrophobicContact CE2-CG2 3.9Å; F114-F126 HydrophobicContact CB-CE1 4.3Å; F114-F126 HydrophobicContact CB-CZ 3.9Å; F114-F126 AromaticContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CZ 4.01Å; F114-F126 HydrophobicContact CD2-CE1 4.19Å; F114-F126 HydrophobicContact CD2-CE2 4.44Å; F114-F126 AromaticContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CE1-CD1 4.37Å; F114-F126 AromaticContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CZ 4.49Å; F114-F126 HydrophobicContact CE2-CE1 4.42Å; F114-F126 HydrophobicContact CE2-CZ 4.32Å; F114-F126 AromaticContact CG-CE1 3.79Å; F114-F126 HydrophobicContact CG-CE1 3.79Å; F114-F126 AromaticContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CZ-CE1 4.27Å; F114-I142 HydrophobicContact CZ-CG2 4.33Å; F114-L146 HydrophobicContact CZ-CD1 4.22Å; F114-V193 HydrophobicContact CD1-CB 4.41Å; F114-V193 HydrophobicContact CD2-CB 3.96Å; F114-V193 HydrophobicContact CD2-CG2 4.3Å; F114-V193 HydrophobicContact CE1-CB 4.08Å; F114-V193 HydrophobicContact CE1-CG1 3.84Å; F114-V193 HydrophobicContact CE2-CB 3.59Å; F114-V193 HydrophobicContact CE2-CG1 3.92Å; F114-V193 HydrophobicContact CE2-CG2 3.79Å; F114-V193 HydrophobicContact CG-CB 4.36Å; F114-V193 HydrophobicContact CZ-CB 3.66Å; F114-V193 HydrophobicContact CZ-CG1 3.46Å; F114-V193 VanDerWaalsContact CZ-CG1 3.46Å; F114-V193 HydrophobicContact CZ-CG2 4.21Å; F114-V193 PolarHBondContact N-O 3.25Å; F114-V193 PolarHBondContact O-N 3.05Å; F114-D242 VanDerWaalsContact CA-O 3.24Å; F114-D242 WeakPolarHBondContact CA-O 3.4Å; F114-D242 WeakPolarHBondContact CB-O 3.34Å; F114-F243 HydrophobicContact CB-CB 4.46Å; F114-F243 HydrophobicContact CB-CD2 4.09Å; F114-F243 HydrophobicContact CB-CG 4.38Å
115T91.4Very high78.1Confident0 Ų042.3 Ų42.30%022%0.218CC..EExtended strand (participates in β ladder)trans-119.7114.5177.9-51.20000108.9W190 H191 R192 I240 E241 D242 S260T115-W190 HydrophobicContact CG2-CE3 4.25Å; T115-H191 WeakPolarHBondContact CA-O 3.39Å; T115-R192 HydrophobicContact CG2-CG 3.98Å; T115-I240 WeakPolarHBondContact O-CA 3.41Å; T115-I240 WeakPolarHBondContact O-CG1 3.43Å; T115-E241 HydrophobicContact CG2-CB 4.19Å; T115-E241 VanDerWaalsContact CG2-OE2 3.28Å; T115-E241 WeakPolarHBondContact CG2-OE2 3.43Å; T115-E241 PolarHBondContact O-N 2.88Å; T115-D242 WeakPolarHBondContact CB-OD2 3.44Å; T115-D242 PolarHBondContact N-O 3.23Å; T115-D242 PolarHBondContact OG1-OD2 3.42Å; T115-S260 WeakPolarHBondContact OG1-CB 3.48Å; T115-S260 PolarHBondContact OG1-OG 2.85Å; T115-S260 VanDerWaalsContact OG1-OG 3.06Å
116I90.8Very high79.3Confident0 Ų039.5 Ų39.50%020%0.197CC..EExtended strand (participates in β ladder)trans-141152.3-166.7-160.6173.7000112.4F114 L118 F126 I142 W190 H191 I236 F239 I240F114-I116 HydrophobicContact CD2-CB 4.15Å; F114-I116 HydrophobicContact CD2-CG2 3.86Å; F114-I116 HydrophobicContact CE2-CG2 3.9Å; I116-L118 HydrophobicContact CD1-CD2 3.58Å; I116-L118 HydrophobicContact CD1-CG 3.99Å; I116-L118 HydrophobicContact CG1-CD2 4.1Å; I116-L118 HydrophobicContact CG1-CG 4.25Å; I116-F126 HydrophobicContact CD1-CD2 4.45Å; I116-F126 HydrophobicContact CD1-CE2 3.99Å; I116-I142 HydrophobicContact CD1-CD1 3.69Å; I116-W190 VanDerWaalsContact C-CE3 3.49Å; I116-H191 PolarHBondContact N-O 3.18Å; I116-H191 PolarHBondContact O-N 3.44Å; I116-I236 HydrophobicContact CD1-CD1 3.82Å; I116-I236 HydrophobicContact CD1-CG2 4.43Å; I116-F239 CarbonylContact C-O 3.39Å; I116-F239 WeakPolarHBondContact CA-O 3.46Å; I116-F239 WeakPolarHBondContact CG1-O 3.47Å; I116-I240 HydrophobicContact CG1-CB 4.46Å
117R89.4Confident80.6Confident104 Ų10439.3 Ų39.339%0.39220%0.196SC..EExtended strand (participates in β ladder)trans-130.4115.8168.8172.6173.3-168.8-154.71.3109.2G188 L189 W190 G238 F239R117-G188 PolarHBondContact NE-O 2.83Å; R117-G188 PolarHBondContact NH2-O 2.98Å; R117-G188 VanDerWaalsContact NH2-O 3.13Å; R117-L189 VanDerWaalsContact CA-O 3.26Å; R117-L189 WeakPolarHBondContact CA-O 2.98Å; R117-L189 WeakPolarHBondContact CB-O 3.47Å; R117-L189 WeakPolarHBondContact CG-O 2.91Å; R117-W190 HydrophobicContact CB-CD2 3.64Å; R117-W190 HydrophobicContact CB-CE3 3.62Å; R117-W190 HydrophobicContact CB-CG 4.17Å; R117-W190 HydrophobicContact CB-CH2 4.21Å; R117-W190 HydrophobicContact CB-CZ2 4.27Å; R117-W190 HydrophobicContact CB-CZ3 3.91Å; R117-G238 CarbonylContact O-C 3.48Å; R117-G238 WeakPolarHBondContact O-CA 3.48Å; R117-F239 PolarHBondContact N-O 3.01Å; R117-F239 PolarHBondContact O-N 2.68Å
118L85Confident81.7Confident5 Ų538.1 Ų38.13%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-105146.9-175.8-68.3176.8000113.1I116 I142 L185 N186 G188 I236 H237I116-L118 HydrophobicContact CD1-CD2 3.58Å; I116-L118 HydrophobicContact CD1-CG 3.99Å; I116-L118 HydrophobicContact CG1-CD2 4.1Å; I116-L118 HydrophobicContact CG1-CG 4.25Å; L118-I142 HydrophobicContact CD1-CD1 3.94Å; L118-I142 HydrophobicContact CD1-CG1 4.06Å; L118-I142 HydrophobicContact CD2-CD1 4.34Å; L118-L185 WeakPolarHBondContact CB-O 3.36Å; L118-L185 HydrophobicContact CD1-CB 4.3Å; L118-N186 HydrophobicContact CB-CB 4.3Å; L118-N186 HydrophobicContact CD1-CB 4.48Å; L118-G188 VanDerWaalsContact O-CA 3.27Å; L118-G188 WeakPolarHBondContact O-CA 3.26Å; L118-G188 PolarHBondContact O-N 2.88Å; L118-I236 HydrophobicContact CD2-CG2 3.97Å; L118-H237 WeakPolarHBondContact CA-O 3.33Å
119E79.4Confident82.5Confident106 Ų10635 Ų3550%0.49517%0.168SC..  trans-67.8150.9168.6-65.7-177.5154.900112.2H237E119-H237 HydrophobicContact CB-CB 4.17Å; E119-H237 HydrophobicContact CG-CB 4.2Å; E119-H237 PolarHBondContact N-O 2.83Å; E119-H237 WeakPolarHBondContact OE2-CB 3.48Å; E119-H237 IonicContact OE2-CG 3.67Å; E119-H237 IonicContact OE2-ND1 2.82Å; E119-H237 PolarHBondContact OE2-ND1 2.95Å
120L71.7Confident82.8Confident121 Ų12135.2 Ų35.263%0.63417%0.166SC*.THydrogen-bonded Turntrans-57137.5-176.3-67.1170.1000113L122 N186 D187L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 PolarHBondContact O-N 3.06Å; L120-N186 WeakPolarHBondContact CA-O 3.29Å; L120-N186 WeakPolarHBondContact CD2-O 2.96Å; L120-D187 WeakPolarHBondContact CD2-O 3.42Å
121N60.5Low82.5Confident124 Ų12436 Ų3666%0.66317%0.17SC*.THydrogen-bonded Turntrans61.622.2172.1-63.3-30.5000117R184 N186N121-R184 PolarHBondContact OD1-NH2 2.67Å; N121-N186 WeakPolarHBondContact CA-ND2 3.49Å
122L66.6Low82Confident32 Ų3243 Ų4317%0.16820%0.197CC..  trans-88.9144.9171.4-154.6102000111.9L120 K124 G143 N186 H237L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 PolarHBondContact O-N 3.06Å; L122-K124 HydrophobicContact CD2-CB 4.17Å; L122-K124 HydrophobicContact CD2-CG 3.34Å; L122-K124 HydrophobicContact CG-CG 4.18Å; L122-G143 WeakPolarHBondContact O-CA 2.97Å; L122-N186 PolarHBondContact N-ND2 3.26Å; L122-N186 PolarHBondContact O-ND2 2.77Å; L122-H237 HydrophobicContact CD1-CB 3.82Å; L122-H237 HydrophobicContact CD2-CB 3.74Å; L122-H237 HydrophobicContact CG-CB 4.31Å
123E73.5Confident81.4Confident95 Ų9548.2 Ų48.244%0.44422%0.221SC..  trans-130.2129166.9-174.5174.1-158.100109.5I141 I142 Q147E123-I141 HydrophobicContact CG-CG2 3.64Å; E123-I142 CarbonylContact C-O 3.58Å; E123-I142 WeakPolarHBondContact CA-O 3.44Å; E123-Q147 PolarHBondContact OE1-NE2 2.02Å
124K77.6Confident80.6Confident50 Ų5050.6 Ų50.622%0.21725%0.245CC..EExtended strand (participates in β ladder)trans-148.3146.9-169.9-86.2-69.7-172.9151.30114L122 F126 I141 I142 D234L122-K124 HydrophobicContact CD2-CB 4.17Å; L122-K124 HydrophobicContact CD2-CG 3.34Å; L122-K124 HydrophobicContact CG-CG 4.18Å; K124-F126 PolarHBondContact O-N 3.23Å; K124-I141 CarbonylContact O-C 3.58Å; K124-I141 VanDerWaalsContact O-CA 3.3Å; K124-I141 WeakPolarHBondContact O-CA 3.32Å; K124-I141 WeakPolarHBondContact O-CG2 3.41Å; K124-I142 PolarHBondContact N-O 3.43Å; K124-I142 PolarHBondContact O-N 2.99Å; K124-D234 PolarHBondContact NZ-O 3.02Å
125E84.5Confident79.9Confident43 Ų4357.6 Ų57.620%0.20127%0.271CS..EExtended strand (participates in β ladder)trans-71.2113.1168.5-65.6178.2-137.800110.4R139 I141 K233E125-R139 IonicContact OE1-CZ 3.4Å; E125-R139 IonicContact OE1-NH2 3.18Å; E125-R139 PolarHBondContact OE1-NH2 3.44Å; E125-R139 IonicContact OE2-CZ 3.8Å; E125-R139 IonicContact OE2-NE 3.47Å; E125-R139 PolarHBondContact OE2-NE 2.92Å; E125-R139 VanDerWaalsContact OE2-NE 3.14Å; E125-R139 IonicContact OE2-NH2 3.64Å; E125-R139 PolarHBondContact OE2-NH2 3.46Å; E125-I141 HydrophobicContact CG-CG1 4.37Å; E125-K233 HydrophobicContact CB-CB 4.16Å; E125-K233 HydrophobicContact CB-CD 3.99Å; E125-K233 VanDerWaalsContact CD-CD 3.46Å; E125-K233 HydrophobicContact CG-CD 4.31Å; E125-K233 PolarHBondContact O-N 2.86Å; E125-K233 IonicContact OE1-NZ 3.62Å; E125-K233 PolarHBondContact OE1-NZ 2.92Å; E125-K233 WeakPolarHBondContact OE2-CD 3.12Å; E125-K233 IonicContact OE2-NZ 2.85Å; E125-K233 PolarHBondContact OE2-NZ 3Å
126F86.4Confident79.4Confident5 Ų559.1 Ų59.12%0.02228%0.279CS..EExtended strand (participates in β ladder)trans-91.9-42.6-175.8-177.2-106.6000112.9F114 I116 K124 I140 I142 L232 I236 I240 F243F114-F126 HydrophobicContact CB-CE1 4.3Å; F114-F126 HydrophobicContact CB-CZ 3.9Å; F114-F126 AromaticContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CE1 3.63Å; F114-F126 HydrophobicContact CD1-CZ 4.01Å; F114-F126 HydrophobicContact CD2-CE1 4.19Å; F114-F126 HydrophobicContact CD2-CE2 4.44Å; F114-F126 AromaticContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CD2-CZ 3.83Å; F114-F126 HydrophobicContact CE1-CD1 4.37Å; F114-F126 AromaticContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CE1 3.89Å; F114-F126 HydrophobicContact CE1-CZ 4.49Å; F114-F126 HydrophobicContact CE2-CE1 4.42Å; F114-F126 HydrophobicContact CE2-CZ 4.32Å; F114-F126 AromaticContact CG-CE1 3.79Å; F114-F126 HydrophobicContact CG-CE1 3.79Å; F114-F126 AromaticContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CG-CZ 3.65Å; F114-F126 HydrophobicContact CZ-CE1 4.27Å; I116-F126 HydrophobicContact CD1-CD2 4.45Å; I116-F126 HydrophobicContact CD1-CE2 3.99Å; K124-F126 PolarHBondContact O-N 3.23Å; F126-I140 PolarHBondContact N-O 3.17Å; F126-I142 HydrophobicContact CB-CD1 3.91Å; F126-I142 HydrophobicContact CB-CG1 4.08Å; F126-I142 HydrophobicContact CB-CG2 4.12Å; F126-I142 HydrophobicContact CD2-CD1 3.44Å; F126-I142 VanDerWaalsContact CD2-CD1 3.44Å; F126-I142 HydrophobicContact CD2-CG1 4.47Å; F126-I142 HydrophobicContact CE2-CD1 4.14Å; F126-I142 HydrophobicContact CG-CD1 3.85Å; F126-I142 HydrophobicContact CG-CG2 4.48Å; F126-L232 HydrophobicContact CD2-CD2 3.53Å; F126-L232 HydrophobicContact CE2-CD2 3.39Å; F126-L232 HydrophobicContact CG-CD2 4.41Å; F126-L232 HydrophobicContact CZ-CD2 4.15Å; F126-L232 PolarHBondContact O-N 2.93Å; F126-I236 HydrophobicContact CE2-CD1 4.12Å; F126-I240 HydrophobicContact CE2-CD1 3.83Å; F126-I240 HydrophobicContact CZ-CD1 3.8Å; F126-F243 HydrophobicContact CD1-CE1 4.5Å; F126-F243 HydrophobicContact CD1-CZ 4.32Å; F126-F243 HydrophobicContact CE1-CD1 4.24Å; F126-F243 HydrophobicContact CE1-CD2 4.41Å; F126-F243 AromaticContact CE1-CE1 3.73Å; F126-F243 HydrophobicContact CE1-CE1 3.73Å; F126-F243 AromaticContact CE1-CE2 3.97Å; F126-F243 HydrophobicContact CE1-CE2 3.97Å; F126-F243 AromaticContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CZ-CD1 4.02Å; F126-F243 AromaticContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CG 4.35Å; F126-F243 HydrophobicContact CZ-CZ 4.21Å
127F88.3Confident78.9Confident1 Ų160 Ų600%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-144.5138.9-174.7174.7-92.1000109.7I112 L129 L138 R139 I140 I229 Q230 V231 F243 L245I112-F127 HydrophobicContact CD1-CD1 3.95Å; I112-F127 HydrophobicContact CD1-CE1 3.82Å; I112-F127 HydrophobicContact CD1-CG 4.42Å; I112-F127 HydrophobicContact CD1-CZ 4.17Å; F127-L129 HydrophobicContact CE1-CB 4.08Å; F127-L129 HydrophobicContact CZ-CB 4.37Å; F127-L138 HydrophobicContact CE1-CD2 4.37Å; F127-R139 CarbonylContact O-C 3.51Å; F127-R139 WeakPolarHBondContact O-CA 3.2Å; F127-I140 HydrophobicContact CB-CB 4.26Å; F127-I140 HydrophobicContact CB-CG1 4.39Å; F127-I140 HydrophobicContact CD1-CG1 4.28Å; F127-I140 PolarHBondContact N-O 3.21Å; F127-I140 PolarHBondContact O-N 2.92Å; F127-I229 HydrophobicContact CD2-CG2 3.85Å; F127-I229 HydrophobicContact CE2-CD1 4.32Å; F127-I229 HydrophobicContact CE2-CG2 3.28Å; F127-I229 HydrophobicContact CZ-CD1 4.29Å; F127-I229 HydrophobicContact CZ-CG2 3.83Å; F127-Q230 CarbonylContact C-O 3.52Å; F127-Q230 WeakPolarHBondContact CA-O 3.41Å; F127-V231 HydrophobicContact CD2-CG2 4.42Å; F127-F243 AromaticContact CD2-CZ 3.91Å; F127-F243 HydrophobicContact CD2-CZ 3.91Å; F127-L245 HydrophobicContact CE2-CD1 3.88Å; F127-L245 HydrophobicContact CE2-CD2 4.05Å; F127-L245 HydrophobicContact CZ-CD1 4.4Å; F127-L245 HydrophobicContact CZ-CD2 4.4Å
128T87.7Confident78.6Confident2 Ų255 Ų551%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-144.3131.6171.2-59.40000111.1Y130 M136 L138 R139 I229 Q230T128-Y130 HydrophobicContact CG2-CD2 4.09Å; T128-Y130 HydrophobicContact CG2-CE1 4.01Å; T128-Y130 HydrophobicContact CG2-CE2 3.5Å; T128-Y130 VanDerWaalsContact CG2-CZ 3.45Å; T128-M136 HydrophobicContact CG2-CB 4.47Å; T128-M136 HydrophobicContact CG2-CG 3.57Å; T128-L138 WeakPolarHBondContact CA-O 3.45Å; T128-R139 HydrophobicContact CG2-CB 4.17Å; T128-R139 WeakPolarHBondContact OG1-CG 3.36Å; T128-I229 WeakPolarHBondContact O-CA 3.18Å; T128-Q230 PolarHBondContact N-O 3.45Å; T128-Q230 PolarHBondContact O-N 2.91Å
129L83.4Confident78.7Confident2 Ų257 Ų571%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-107.1123.2177.9178.862.8000110.1F106 F127 I137 L138 I223 I229F106-L129 HydrophobicContact CD1-CD2 4.03Å; F106-L129 HydrophobicContact CE1-CD2 3.74Å; F106-L129 HydrophobicContact CE2-CD1 4.2Å; F106-L129 HydrophobicContact CE2-CD2 4.48Å; F106-L129 HydrophobicContact CG-CD2 4.49Å; F106-L129 HydrophobicContact CZ-CD1 4.35Å; F106-L129 HydrophobicContact CZ-CD2 4Å; F127-L129 HydrophobicContact CE1-CB 4.08Å; F127-L129 HydrophobicContact CZ-CB 4.37Å; L129-I137 HydrophobicContact CG-CD1 4.39Å; L129-I137 PolarHBondContact O-N 3.3Å; L129-L138 HydrophobicContact CB-CB 4.36Å; L129-L138 PolarHBondContact N-O 3.39Å; L129-I223 HydrophobicContact CD2-CD1 4.03Å; L129-I223 HydrophobicContact CD2-CG2 4.34Å; L129-I229 HydrophobicContact CD1-CD1 3.96Å; L129-I229 HydrophobicContact CD1-CG1 3.8Å
130Y82.4Confident79.2Confident49 Ų4952 Ų5219%0.19225%0.248CC..EExtended strand (participates in β ladder)trans-111.1143.1178.2-60.6-87.1000111.3T128 G134 R135 M136 G227 R228 Q230T128-Y130 HydrophobicContact CG2-CD2 4.09Å; T128-Y130 HydrophobicContact CG2-CE1 4.01Å; T128-Y130 HydrophobicContact CG2-CE2 3.5Å; T128-Y130 VanDerWaalsContact CG2-CZ 3.45Å; Y130-G134 WeakPolarHBondContact CD1-O 3.11Å; Y130-R135 CarbonylContact C-O 3.53Å; Y130-R135 WeakPolarHBondContact CA-O 3.14Å; Y130-M136 HydrophobicContact CD1-CB 4.16Å; Y130-M136 HydrophobicContact CE1-CB 4.09Å; Y130-G227 CarbonylContact O-C 3.27Å; Y130-G227 WeakPolarHBondContact O-CA 3.2Å; Y130-R228 WeakPolarHBondContact CB-O 3.41Å; Y130-R228 PolarHBondContact N-O 3.42Å; Y130-R228 PolarHBondContact O-N 2.85Å; Y130-R228 VanDerWaalsContact O-N 3.09Å; Y130-Q230 HydrophobicContact CE2-CB 3.96Å; Y130-Q230 PolarHBondContact OH-OE1 2.89Å
131D76.5Confident80Confident18 Ų1847.1 Ų47.110%0.09622%0.223CC..  trans-71.5171.917189.2-20.4000112.3H133 G134 R135 I137D131-H133 PolarHBondContact O-N 2.71Å; D131-H133 VanDerWaalsContact OD1-C 3.28Å; D131-H133 VanDerWaalsContact OD1-CA 3.28Å; D131-H133 WeakPolarHBondContact OD1-CA 3.02Å; D131-H133 WeakPolarHBondContact OD1-CB 3.47Å; D131-H133 IonicContact OD1-CG 3.03Å; D131-H133 PolarHBondContact OD1-N 3.42Å; D131-H133 IonicContact OD1-ND1 3.54Å; D131-H133 IonicContact OD2-CE1 3.3Å; D131-H133 IonicContact OD2-CG 2.64Å; D131-H133 IonicContact OD2-ND1 2.92Å; D131-H133 PolarHBondContact OD2-ND1 3.12Å; D131-G134 PolarHBondContact O-N 3.42Å; D131-G134 PolarHBondContact OD1-N 3.45Å; D131-G134 VanDerWaalsContact OD1-N 3.12Å; D131-R135 PolarHBondContact N-O 2.61Å; D131-R135 WeakPolarHBondContact OD1-CB 3.26Å; D131-R135 PolarHBondContact OD1-N 3.41Å; D131-R135 IonicContact OD1-NE 2.93Å; D131-R135 IonicContact OD2-CZ 3.41Å; D131-R135 VanDerWaalsContact OD2-CZ 3.22Å; D131-R135 IonicContact OD2-NE 3.71Å; D131-R135 PolarHBondContact OD2-NE 2.84Å; D131-R135 IonicContact OD2-NH2 2.61Å; D131-R135 PolarHBondContact OD2-NH2 2.83Å; D131-I137 HydrophobicContact CB-CD1 3.76Å; D131-I137 HydrophobicContact CB-CG1 4.07Å
132R74.7Confident81.3Confident146 Ų14641.4 Ų41.455%0.55119%0.192SC*.THydrogen-bonded Turntrans-59.8-7.117768142.5-177.2-105.44.4115.4D224 R226R132-D224 HydrophobicContact CB-CB 4.37Å; R132-D224 WeakPolarHBondContact CD-OD2 3.4Å; R132-D224 HydrophobicContact CG-CB 4.16Å; R132-D224 VanDerWaalsContact CG-OD2 3.24Å; R132-D224 WeakPolarHBondContact CG-OD2 3.15Å; R132-D224 IonicContact CZ-OD2 3.05Å; R132-D224 IonicContact NE-OD2 2.65Å; R132-D224 IonicContact NH1-OD2 3.23Å; R132-D224 PolarHBondContact NH1-OD2 3.12Å; R132-R226 HydrophobicContact CB-CB 4Å
133H77Confident82Confident110 Ų11039.9 Ų39.951%0.50918%0.184SC..THydrogen-bonded Turntrans-109.18.7176.2-40.296000112D131 R135D131-H133 PolarHBondContact O-N 2.71Å; D131-H133 VanDerWaalsContact OD1-C 3.28Å; D131-H133 VanDerWaalsContact OD1-CA 3.28Å; D131-H133 WeakPolarHBondContact OD1-CA 3.02Å; D131-H133 WeakPolarHBondContact OD1-CB 3.47Å; D131-H133 IonicContact OD1-CG 3.03Å; D131-H133 PolarHBondContact OD1-N 3.42Å; D131-H133 IonicContact OD1-ND1 3.54Å; D131-H133 IonicContact OD2-CE1 3.3Å; D131-H133 IonicContact OD2-CG 2.64Å; D131-H133 IonicContact OD2-ND1 2.92Å; D131-H133 PolarHBondContact OD2-ND1 3.12Å; H133-R135 PolarHBondContact ND1-NH2 2.98Å
134G73.5Confident82.3Confident49 Ų4937.1 Ų37.151%0.50518%0.176SC..SBendtrans77.914.8-179.700000115.1Y130 D131Y130-G134 WeakPolarHBondContact CD1-O 3.11Å; D131-G134 PolarHBondContact O-N 3.42Å; D131-G134 PolarHBondContact OD1-N 3.45Å; D131-G134 VanDerWaalsContact OD1-N 3.12Å
135R77Confident82.6Confident147 Ų14738.5 Ų38.556%0.55518%0.183SC*.  trans-87.3128.7178.4-58.8179.3-65.7-170.64.3110.1Y130 D131 H133 I137Y130-R135 CarbonylContact C-O 3.53Å; Y130-R135 WeakPolarHBondContact CA-O 3.14Å; D131-R135 PolarHBondContact N-O 2.61Å; D131-R135 WeakPolarHBondContact OD1-CB 3.26Å; D131-R135 PolarHBondContact OD1-N 3.41Å; D131-R135 IonicContact OD1-NE 2.93Å; D131-R135 IonicContact OD2-CZ 3.41Å; D131-R135 VanDerWaalsContact OD2-CZ 3.22Å; D131-R135 IonicContact OD2-NE 3.71Å; D131-R135 PolarHBondContact OD2-NE 2.84Å; D131-R135 IonicContact OD2-NH2 2.61Å; D131-R135 PolarHBondContact OD2-NH2 2.83Å; H133-R135 PolarHBondContact ND1-NH2 2.98Å; R135-I137 PolarHBondContact O-N 2.83Å
136M81.7Confident82.8Confident32 Ų3236.5 Ų36.516%0.15817%0.173CC..EExtended strand (participates in β ladder)trans-64.1130.5176.2-173.1-86.6-83.400110.5T128 Y130 L138 R139 E149 L176T128-M136 HydrophobicContact CG2-CB 4.47Å; T128-M136 HydrophobicContact CG2-CG 3.57Å; Y130-M136 HydrophobicContact CD1-CB 4.16Å; Y130-M136 HydrophobicContact CE1-CB 4.09Å; M136-L138 PolarHBondContact SD-N 2.96Å; M136-L138 VanDerWaalsContact SD-N 3.41Å; M136-R139 HydrophobicContact CE-CB 4.18Å; M136-R139 HydrophobicContact CG-CB 4.37Å; M136-R139 HydrophobicContact SD-CB 4.09Å; M136-E149 HydrophobicContact CE-CB 3.91Å; M136-L176 HydrophobicContact CE-CD1 3.8Å; M136-L176 HydrophobicContact CE-CD2 3.69Å; M136-L176 HydrophobicContact CE-CG 4.33Å; M136-L176 HydrophobicContact SD-CD2 4.24Å
137I79.4Confident82.9Confident18 Ų1837.3 Ų37.39%0.09218%0.177CC..EExtended strand (participates in β ladder)trans-104.7-42.1179-50.2-179.6000110.5L129 D131 R135 L151 I223L129-I137 HydrophobicContact CG-CD1 4.39Å; L129-I137 PolarHBondContact O-N 3.3Å; D131-I137 HydrophobicContact CB-CD1 3.76Å; D131-I137 HydrophobicContact CB-CG1 4.07Å; R135-I137 PolarHBondContact O-N 2.83Å; I137-L151 PolarHBondContact O-N 2.91Å; I137-I223 HydrophobicContact CD1-CB 4.35Å; I137-I223 HydrophobicContact CD1-CD1 4.49Å; I137-I223 HydrophobicContact CD1-CG1 4.05Å; I137-I223 HydrophobicContact CD1-CG2 3.67Å; I137-I223 HydrophobicContact CG2-CD1 4.15Å; I137-I223 HydrophobicContact CG2-CG1 4.34Å
138L83.2Confident82.9Confident0 Ų037.3 Ų37.30%018%0.177CC..EExtended strand (participates in β ladder)trans-151.5136.7-175.7175.367.1000109F127 T128 L129 M136 E149 I197F127-L138 HydrophobicContact CE1-CD2 4.37Å; T128-L138 WeakPolarHBondContact CA-O 3.45Å; L129-L138 HydrophobicContact CB-CB 4.36Å; L129-L138 PolarHBondContact N-O 3.39Å; M136-L138 PolarHBondContact SD-N 2.96Å; M136-L138 VanDerWaalsContact SD-N 3.41Å; L138-E149 CarbonylContact C-O 3.56Å; L138-E149 WeakPolarHBondContact CA-O 3.46Å; L138-I197 HydrophobicContact CD1-CD1 4.49Å; L138-I197 HydrophobicContact CD2-CD1 3.85Å; L138-I197 HydrophobicContact CD2-CG2 4.19Å
139R88.1Confident82.9Confident47 Ų4738 Ų3818%0.17718%0.18CC..EExtended strand (participates in β ladder)trans-135.9145.1171.4166.6-169.6-83.8172-16.4110E125 F127 T128 M136 I141 L148 E149E125-R139 IonicContact OE1-CZ 3.4Å; E125-R139 IonicContact OE1-NH2 3.18Å; E125-R139 PolarHBondContact OE1-NH2 3.44Å; E125-R139 IonicContact OE2-CZ 3.8Å; E125-R139 IonicContact OE2-NE 3.47Å; E125-R139 PolarHBondContact OE2-NE 2.92Å; E125-R139 VanDerWaalsContact OE2-NE 3.14Å; E125-R139 IonicContact OE2-NH2 3.64Å; E125-R139 PolarHBondContact OE2-NH2 3.46Å; F127-R139 CarbonylContact O-C 3.51Å; F127-R139 WeakPolarHBondContact O-CA 3.2Å; T128-R139 HydrophobicContact CG2-CB 4.17Å; T128-R139 WeakPolarHBondContact OG1-CG 3.36Å; M136-R139 HydrophobicContact CE-CB 4.18Å; M136-R139 HydrophobicContact CG-CB 4.37Å; M136-R139 HydrophobicContact SD-CB 4.09Å; R139-I141 HydrophobicContact CG-CG1 4.08Å; R139-L148 CarbonylContact O-C 3.48Å; R139-L148 WeakPolarHBondContact O-CA 3.32Å; R139-E149 HydrophobicContact CB-CB 4.29Å; R139-E149 VanDerWaalsContact CD-OE2 3.26Å; R139-E149 WeakPolarHBondContact CD-OE2 3.44Å; R139-E149 IonicContact CZ-OE2 3.56Å; R139-E149 PolarHBondContact N-O 3Å; R139-E149 IonicContact NE-OE2 2.99Å; R139-E149 IonicContact NH1-OE2 2.64Å; R139-E149 PolarHBondContact NH1-OE2 2.81Å; R139-E149 PolarHBondContact O-N 3.16Å
140I89.5Confident82.8Confident0 Ų038.4 Ų38.40%018%0.182CC..EExtended strand (participates in β ladder)trans-113.7130.9168.9-51.7-160.3000109.9I112 F126 F127 I142 L146 Q147 L148 I197I112-I140 HydrophobicContact CD1-CD1 3.72Å; I112-I140 HydrophobicContact CG2-CD1 4.34Å; F126-I140 PolarHBondContact N-O 3.17Å; F127-I140 HydrophobicContact CB-CB 4.26Å; F127-I140 HydrophobicContact CB-CG1 4.39Å; F127-I140 HydrophobicContact CD1-CG1 4.28Å; F127-I140 PolarHBondContact N-O 3.21Å; F127-I140 PolarHBondContact O-N 2.92Å; I140-I142 HydrophobicContact CG2-CG2 4.09Å; I140-L146 HydrophobicContact CG2-CD2 4.13Å; I140-L146 HydrophobicContact CG2-CG 4.22Å; I140-Q147 WeakPolarHBondContact CA-O 3.41Å; I140-L148 HydrophobicContact CB-CD2 4.34Å; I140-L148 HydrophobicContact CD1-CD2 3.59Å; I140-L148 HydrophobicContact CG1-CD2 3.55Å; I140-L148 HydrophobicContact CG2-CD2 4.3Å; I140-I197 HydrophobicContact CD1-CD1 4.07Å
141I88.9Confident82.6Confident19 Ų1938 Ų3810%0.09718%0.183CC..EExtended strand (participates in β ladder)trans-116.1133.7171.7-51.1178.4000107.3E123 K124 E125 R139 L146 Q147 E149E123-I141 HydrophobicContact CG-CG2 3.64Å; K124-I141 CarbonylContact O-C 3.58Å; K124-I141 VanDerWaalsContact O-CA 3.3Å; K124-I141 WeakPolarHBondContact O-CA 3.32Å; K124-I141 WeakPolarHBondContact O-CG2 3.41Å; E125-I141 HydrophobicContact CG-CG1 4.37Å; R139-I141 HydrophobicContact CG-CG1 4.08Å; I141-L146 CarbonylContact O-C 3.54Å; I141-L146 WeakPolarHBondContact O-CA 3.38Å; I141-Q147 HydrophobicContact CB-CB 4.18Å; I141-Q147 HydrophobicContact CB-CG 4.48Å; I141-Q147 PolarHBondContact N-O 2.84Å; I141-Q147 PolarHBondContact O-N 2.84Å; I141-E149 HydrophobicContact CD1-CG 4.35Å
142I87Confident82.2Confident4 Ų437.9 Ų37.92%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-120.8142.6178.264.5-177.2000110.4F114 I116 L118 E123 K124 F126 I140 L146F114-I142 HydrophobicContact CZ-CG2 4.33Å; I116-I142 HydrophobicContact CD1-CD1 3.69Å; L118-I142 HydrophobicContact CD1-CD1 3.94Å; L118-I142 HydrophobicContact CD1-CG1 4.06Å; L118-I142 HydrophobicContact CD2-CD1 4.34Å; E123-I142 CarbonylContact C-O 3.58Å; E123-I142 WeakPolarHBondContact CA-O 3.44Å; K124-I142 PolarHBondContact N-O 3.43Å; K124-I142 PolarHBondContact O-N 2.99Å; F126-I142 HydrophobicContact CB-CD1 3.91Å; F126-I142 HydrophobicContact CB-CG1 4.08Å; F126-I142 HydrophobicContact CB-CG2 4.12Å; F126-I142 HydrophobicContact CD2-CD1 3.44Å; F126-I142 VanDerWaalsContact CD2-CD1 3.44Å; F126-I142 HydrophobicContact CD2-CG1 4.47Å; F126-I142 HydrophobicContact CE2-CD1 4.14Å; F126-I142 HydrophobicContact CG-CD1 3.85Å; F126-I142 HydrophobicContact CG-CG2 4.48Å; I140-I142 HydrophobicContact CG2-CG2 4.09Å; I142-L146 HydrophobicContact CG2-CD1 4.07Å; I142-L146 HydrophobicContact CG2-CG 4.17Å
143G81.2Confident81.5Confident0 Ų037.7 Ų37.70%018%0.182CC..SBendtrans173-123177.800000112.8L122 H145 L185 N186L122-G143 WeakPolarHBondContact O-CA 2.97Å; G143-H145 PolarHBondContact N-O 3.38Å; G143-H145 VanDerWaalsContact N-O 3.16Å; G143-H145 PolarHBondContact O-N 2.93Å; G143-L185 PolarHBondContact O-N 3.13Å; G143-N186 VanDerWaalsContact C-CG 3.48Å; G143-N186 VanDerWaalsContact C-ND2 3.28Å
144S79.5Confident80.4Confident38 Ų3839.5 Ų39.527%0.26619%0.191SC..SBendtrans-62.6-28.1171.248.80000112.4R184 N186S144-R184 WeakPolarHBondContact O-CA 3.44Å; S144-N186 PolarHBondContact N-ND2 2.84Å; S144-N186 VanDerWaalsContact N-ND2 3.16Å
145H85.5Confident78.6Confident79 Ų7941.5 Ų41.537%0.36620%0.197SC..SBendtrans-138.3155.9176.1-59.6-45.9000108.9G143 I180 F181 K182G143-H145 PolarHBondContact N-O 3.38Å; G143-H145 VanDerWaalsContact N-O 3.16Å; G143-H145 PolarHBondContact O-N 2.93Å; H145-I180 HydrophobicContact CB-CG2 3.88Å; H145-F181 WeakPolarHBondContact CB-O 3.26Å; H145-K182 PolarHBondContact ND1-O 3.47Å
146L88Confident76.3Confident0 Ų044.6 Ų44.60%022%0.218CC..EExtended strand (participates in β ladder)trans-97.9117.3169.1-171.5153.7000108.6F114 I140 I141 I142 L148 F181 L185 V193 V195 L204F114-L146 HydrophobicContact CZ-CD1 4.22Å; I140-L146 HydrophobicContact CG2-CD2 4.13Å; I140-L146 HydrophobicContact CG2-CG 4.22Å; I141-L146 CarbonylContact O-C 3.54Å; I141-L146 WeakPolarHBondContact O-CA 3.38Å; I142-L146 HydrophobicContact CG2-CD1 4.07Å; I142-L146 HydrophobicContact CG2-CG 4.17Å; L146-L148 HydrophobicContact CD2-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CG 4.46Å; L146-F181 HydrophobicContact CB-CB 4.27Å; L146-F181 HydrophobicContact CB-CD2 4.46Å; L146-F181 HydrophobicContact CD2-CD2 3.55Å; L146-F181 HydrophobicContact CD2-CE2 3.99Å; L146-F181 PolarHBondContact N-O 2.93Å; L146-F181 VanDerWaalsContact N-O 3.16Å; L146-F181 PolarHBondContact O-N 2.9Å; L146-L185 HydrophobicContact CD1-CD1 3.88Å; L146-V193 HydrophobicContact CD1-CG1 4.25Å; L146-V195 HydrophobicContact CD1-CG2 4.19Å; L146-V195 HydrophobicContact CD2-CG2 4.44Å; L146-L204 HydrophobicContact CD1-CD1 4.18Å
147Q89.5Confident73.7Confident23 Ų2347.5 Ų47.511%0.10724%0.242CC..EExtended strand (participates in β ladder)trans-111.4134.5-177.1-40.9-172.216.400111.2E123 I140 I141 A179 I180E123-Q147 PolarHBondContact OE1-NE2 2.02Å; I140-Q147 WeakPolarHBondContact CA-O 3.41Å; I141-Q147 HydrophobicContact CB-CB 4.18Å; I141-Q147 HydrophobicContact CB-CG 4.48Å; I141-Q147 PolarHBondContact N-O 2.84Å; I141-Q147 PolarHBondContact O-N 2.84Å; Q147-A179 CarbonylContact C-O 3.42Å; Q147-A179 WeakPolarHBondContact CA-O 3.5Å; Q147-I180 HydrophobicContact CB-CG1 4.44Å; Q147-I180 HydrophobicContact CG-CG1 4.23Å; Q147-I180 HydrophobicContact CG-CG2 4.38Å
148L87.3Confident71.4Confident0 Ų052.3 Ų52.30%028%0.277CS..EExtended strand (participates in β ladder)trans-105.8114.9167.9-56.6-179.1000109R139 I140 L146 K178 A179 F181 V195 I197 A202R139-L148 CarbonylContact O-C 3.48Å; R139-L148 WeakPolarHBondContact O-CA 3.32Å; I140-L148 HydrophobicContact CB-CD2 4.34Å; I140-L148 HydrophobicContact CD1-CD2 3.59Å; I140-L148 HydrophobicContact CG1-CD2 3.55Å; I140-L148 HydrophobicContact CG2-CD2 4.3Å; L146-L148 HydrophobicContact CD2-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CG 4.46Å; L148-K178 CarbonylContact O-C 3.07Å; L148-K178 WeakPolarHBondContact O-CA 3.19Å; L148-A179 HydrophobicContact CB-CB 4.32Å; L148-A179 PolarHBondContact N-O 3.3Å; L148-A179 PolarHBondContact O-N 2.83Å; L148-F181 HydrophobicContact CD1-CE2 3.82Å; L148-F181 HydrophobicContact CD1-CZ 4.46Å; L148-F181 HydrophobicContact CG-CE2 4.05Å; L148-V195 HydrophobicContact CD1-CG1 4.4Å; L148-V195 HydrophobicContact CD2-CG1 4.48Å; L148-I197 HydrophobicContact CD2-CD1 4.29Å; L148-A202 HydrophobicContact CD1-CB 3.79Å
149E86.9Confident68.7Low18 Ų1861 Ų618%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-96.5130.4168-50.8-169.2136.900109.1M136 L138 R139 I141 E177 K178M136-E149 HydrophobicContact CE-CB 3.91Å; L138-E149 CarbonylContact C-O 3.56Å; L138-E149 WeakPolarHBondContact CA-O 3.46Å; R139-E149 HydrophobicContact CB-CB 4.29Å; R139-E149 VanDerWaalsContact CD-OE2 3.26Å; R139-E149 WeakPolarHBondContact CD-OE2 3.44Å; R139-E149 IonicContact CZ-OE2 3.56Å; R139-E149 PolarHBondContact N-O 3Å; R139-E149 IonicContact NE-OE2 2.99Å; R139-E149 IonicContact NH1-OE2 2.64Å; R139-E149 PolarHBondContact NH1-OE2 2.81Å; R139-E149 PolarHBondContact O-N 3.16Å; I141-E149 HydrophobicContact CD1-CG 4.35Å; E149-E177 WeakPolarHBondContact CA-O 3.18Å; E149-K178 HydrophobicContact CG-CD 4.25Å; E149-K178 HydrophobicContact CG-CG 4.23Å; E149-K178 WeakPolarHBondContact OE1-CE 3.35Å; E149-K178 IonicContact OE1-NZ 3.35Å; E149-K178 PolarHBondContact OE1-NZ 3.09Å
150Y82.8Confident65.9Low10 Ų1066.9 Ų66.94%0.03935%0.351CS..EExtended strand (participates in β ladder)trans-147.1161.6-173.464.6-86.1000113.4L176 E177 A179 Y216 N217 R218Y150-L176 WeakPolarHBondContact O-CA 3.03Å; Y150-E177 HydrophobicContact CD1-CB 4.5Å; Y150-E177 WeakPolarHBondContact CD1-O 3.28Å; Y150-E177 HydrophobicContact CD2-CB 4.37Å; Y150-E177 HydrophobicContact CE1-CB 3.82Å; Y150-E177 HydrophobicContact CE2-CB 3.68Å; Y150-E177 PolarHBondContact N-O 3.05Å; Y150-E177 PolarHBondContact O-N 2.86Å; Y150-E177 WeakPolarHBondContact OH-CB 3.3Å; Y150-E177 PolarHBondContact OH-OE2 2.78Å; Y150-A179 HydrophobicContact CE1-CB 4.15Å; Y150-Y216 AromaticContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CE2 4.11Å; Y150-Y216 AromaticContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CE2 4.21Å; Y150-Y216 AromaticContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CD2 3.5Å; Y150-Y216 VanDerWaalsContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CE2 4.41Å; Y150-Y216 HydrophobicContact CE1-CG 4.22Å; Y150-Y216 AromaticContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CE2 4.48Å; Y150-Y216 AromaticContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CE2 4.01Å; Y150-Y216 AromaticContact CZ-CD2 3.53Å; Y150-Y216 WeakPolarHBondContact OH-CB 3.36Å; Y150-N217 PolarHBondContact OH-N 2.8Å; Y150-R218 HydrophobicContact CD2-CB 4.29Å; Y150-R218 HydrophobicContact CD2-CG 4.43Å
151L76.6Confident63.1Low40 Ų4075.1 Ų75.121%0.20939%0.388CS..EExtended strand (participates in β ladder)trans-84.4115.3177-169.569.5000112.4I137 K174 L176 S219I137-L151 PolarHBondContact O-N 2.91Å; L151-K174 HydrophobicContact CD1-CB 4.3Å; L151-L176 HydrophobicContact CD1-CD2 4.38Å; L151-S219 PolarHBondContact O-N 3.47Å; L151-S219 PolarHBondContact O-OG 3.25Å
152S68.7Low60.2Low16 Ų1681.7 Ų81.711%0.11242%0.423CS..BIsolated β-bridgetrans-70162.8-178.4-173.50000114.8T175 E177 N217S152-T175 WeakPolarHBondContact CB-O 3.46Å; S152-T175 PolarHBondContact N-O 3.26Å; S152-E177 WeakPolarHBondContact CB-OE1 3.42Å; S152-E177 PolarHBondContact OG-OE1 3.18Å; S152-E177 PolarHBondContact OG-OE2 3.34Å; S152-N217 WeakPolarHBondContact CA-O 3.41Å
153R60Low57.3Low141 Ų14187.3 Ų87.353%0.53246%0.457SS..  trans-115.169.7-174.3-161.9-171.9-159.3-160.49.3112.5N217 S220R153-N217 PolarHBondContact N-O 2.9Å; R153-S220 PolarHBondContact NH2-OG 2.89Å
154E54.5Low54.9Low148 Ų14895 Ų9569%0.69249%0.493SS*.  trans-104.3130.5175.8-76.7-163132.100115.7
155S34.4Very low52.5Low91 Ų9199 Ų9964%0.63652%0.518SS*.  trans43.399.2161.5570000120.3S157S155-S157 PolarHBondContact O-N 2.97Å
156Q30.2Very low49.8Very low213 Ų213104.9 Ų104.9100%0.99554%0.537SS*.SBendtrans-7166.5150.1-70.6-179.7-37.500111
157S26.6Very low47Very low93 Ų93109.4 Ų109.465%0.6556%0.561SS**  trans-15654178.568.80000116.2S155S155-S157 PolarHBondContact O-N 2.97Å
158S30.4Very low44.4Very low119 Ų119115.8 Ų115.883%0.83260%0.595SS**  trans-147.9100.3152.6-23.90000110.8
159Q27Very low41.6Very low183 Ų183123 Ų12386%0.85563%0.626SS**  trans-75.6121.2158.7-71176.7-26.700107.9
160L30.3Very low38.9Very low169 Ų169127.5 Ų127.589%0.88566%0.655SS**  trans-156.3144.6154-108158.2000108.9
161F30Very low36.3Very low174 Ų174135.3 Ų135.376%0.76369%0.692SS**  trans-90.9160.5-155.6-75.2-113.2000113.7
162D27.3Very low34.2Very low156 Ų156139.3 Ų139.383%0.83472%0.724SS**  trans50.485.5159.4-68-32.9000120.2
163V27.8Very low32.7Very low123 Ų123142 Ų14275%0.74575%0.753SS**  trans-141.1137.5146.4-169.30000111.6D167V163-D167 HydrophobicContact CG1-CB 4.49Å
164H29.1Very low32.1Very low162 Ų162143.1 Ų143.175%0.7576%0.762SS**  trans-66.4150.7179-132.15.8000112.5R166H164-R166 VanDerWaalsContact C-N 3.32Å; H164-R166 PolarHBondContact O-N 3.12Å
165P29.8Very low32.3Very low121 Ų121139.9 Ų139.979%0.78675%0.752SS**THydrogen-bonded Turntrans-81.469.3-169.834.6-35.7000113
166R29.5Very low33.9Very low203 Ų203139.9 Ų139.977%0.76675%0.745SS**THydrogen-bonded Turntrans-147.8-3.7168.7-109.1170-163.8-160.50.9116.5H164H164-R166 VanDerWaalsContact C-N 3.32Å; H164-R166 PolarHBondContact O-N 3.12Å
167D28.3Very low36.2Very low94 Ų94132.3 Ų132.350%0.50371%0.71SS.*  trans-105.60.1-170.6-79.3-27.8000117V163 K169 K1527V163-D167 HydrophobicContact CG1-CB 4.49Å; D167-K169 PolarHBondContact O-N 2.97Å; D167-K1527 WeakPolarHBondContact OD1-CE 3.19Å; D167-K1527 IonicContact OD1-NZ 3.01Å; D167-K1527 PolarHBondContact OD1-NZ 3.4Å; D167-K1527 IonicContact OD2-NZ 2.71Å
168L34.8Very low39Very low158 Ų158133.6 Ų133.683%0.82770%0.703SS**  trans-83.676.2174.7-81.9157.5000112.5
169K29.1Very low41.6Very low150 Ų150128.1 Ų128.165%0.65267%0.666SS**SBendtrans-138.941.1163.2-97.4-156.4179.3-172.20113.4D167D167-K169 PolarHBondContact O-N 2.97Å
170T29.3Very low44.5Very low114 Ų114123.4 Ų123.470%0.69965%0.645SS**SBendtrans-172.667.115534.40000110.5
171Q29.6Very low47.3Very low174 Ų174115.3 Ų115.381%0.81360%0.603SS**  trans-160.8139.6153.3-114169.38.500109.8
172S32.8Very low49.8Very low124 Ų124115 Ų11587%0.86760%0.602SS**  trans-62151177.845.90000112.5
173G35.7Very low52.5Low71 Ų71108.9 Ų108.973%0.73257%0.569SS**  trans1603170.600000118.6
174K48.7Very low55.1Low165 Ų165109.3 Ų109.372%0.71756%0.558SS**  trans-135.487162.6-73-161.4175.4-164.80109.6L151 L176L151-K174 HydrophobicContact CD1-CB 4.3Å; K174-L176 PolarHBondContact O-N 3.16Å
175T57.3Low57.7Low80 Ų80101.7 Ų101.749%0.49152%0.522SS..  trans-66.9117.4177.42.80000109.4S152 E177S152-T175 WeakPolarHBondContact CB-O 3.46Å; S152-T175 PolarHBondContact N-O 3.26Å; T175-E177 PolarHBondContact O-N 2.99Å
176L68.9Low60.3Low91 Ų9196 Ų9648%0.47649%0.485SS..EExtended strand (participates in β ladder)trans-72.7115.7156.8-72.5172.1000106.4M136 Y150 L151 K174M136-L176 HydrophobicContact CE-CD1 3.8Å; M136-L176 HydrophobicContact CE-CD2 3.69Å; M136-L176 HydrophobicContact CE-CG 4.33Å; M136-L176 HydrophobicContact SD-CD2 4.24Å; Y150-L176 WeakPolarHBondContact O-CA 3.03Å; L151-L176 HydrophobicContact CD1-CD2 4.38Å; K174-L176 PolarHBondContact O-N 3.16Å
177E78.2Confident62.8Low55 Ų5589.3 Ų89.326%0.25747%0.465SS..EExtended strand (participates in β ladder)trans-94.5158.3176.8-79.8174.3-157.100110.1E149 Y150 S152 T175E149-E177 WeakPolarHBondContact CA-O 3.18Å; Y150-E177 HydrophobicContact CD1-CB 4.5Å; Y150-E177 WeakPolarHBondContact CD1-O 3.28Å; Y150-E177 HydrophobicContact CD2-CB 4.37Å; Y150-E177 HydrophobicContact CE1-CB 3.82Å; Y150-E177 HydrophobicContact CE2-CB 3.68Å; Y150-E177 PolarHBondContact N-O 3.05Å; Y150-E177 PolarHBondContact O-N 2.86Å; Y150-E177 WeakPolarHBondContact OH-CB 3.3Å; Y150-E177 PolarHBondContact OH-OE2 2.78Å; S152-E177 WeakPolarHBondContact CB-OE1 3.42Å; S152-E177 PolarHBondContact OG-OE1 3.18Å; S152-E177 PolarHBondContact OG-OE2 3.34Å; T175-E177 PolarHBondContact O-N 2.99Å
178K86.3Confident65.3Low119 Ų11985.7 Ų85.752%0.51745%0.45SS..EExtended strand (participates in β ladder)trans-122.3132178.4-50.8-159.7-170.5-151.70110.7L148 E149L148-K178 CarbonylContact O-C 3.07Å; L148-K178 WeakPolarHBondContact O-CA 3.19Å; E149-K178 HydrophobicContact CG-CD 4.25Å; E149-K178 HydrophobicContact CG-CG 4.23Å; E149-K178 WeakPolarHBondContact OE1-CE 3.35Å; E149-K178 IonicContact OE1-NZ 3.35Å; E149-K178 PolarHBondContact OE1-NZ 3.09Å
179A84.7Confident67.7Low5 Ų583.2 Ų83.24%0.04144%0.437CS..EExtended strand (participates in β ladder)trans-109.6125.4164.700000108.2Q147 L148 Y150 I214Q147-A179 CarbonylContact C-O 3.42Å; Q147-A179 WeakPolarHBondContact CA-O 3.5Å; L148-A179 HydrophobicContact CB-CB 4.32Å; L148-A179 PolarHBondContact N-O 3.3Å; L148-A179 PolarHBondContact O-N 2.83Å; Y150-A179 HydrophobicContact CE1-CB 4.15Å; A179-I214 HydrophobicContact CB-CD1 4.27Å; A179-I214 HydrophobicContact CB-CG2 3.84Å
180I87.7Confident70.5Confident83 Ų8378.6 Ų78.643%0.42642%0.415SS..EExtended strand (participates in β ladder)trans-118.7115.5-172.8-57.7175.6000109.2H145 Q147 I214H145-I180 HydrophobicContact CB-CG2 3.88Å; Q147-I180 HydrophobicContact CB-CG1 4.44Å; Q147-I180 HydrophobicContact CG-CG1 4.23Å; Q147-I180 HydrophobicContact CG-CG2 4.38Å; I180-I214 VanDerWaalsContact C-CD1 3.4Å; I180-I214 VanDerWaalsContact O-CD1 3.27Å; I180-I214 WeakPolarHBondContact O-CD1 3.32Å
181F88.2Confident73.4Confident0 Ų073.8 Ų73.80%039%0.385CS..EExtended strand (participates in β ladder)trans-83.5133.3167.5-60.8-82.5000109.5H145 L146 L148 T183 V195 A202 L204 E212 I214H145-F181 WeakPolarHBondContact CB-O 3.26Å; L146-F181 HydrophobicContact CB-CB 4.27Å; L146-F181 HydrophobicContact CB-CD2 4.46Å; L146-F181 HydrophobicContact CD2-CD2 3.55Å; L146-F181 HydrophobicContact CD2-CE2 3.99Å; L146-F181 PolarHBondContact N-O 2.93Å; L146-F181 VanDerWaalsContact N-O 3.16Å; L146-F181 PolarHBondContact O-N 2.9Å; L148-F181 HydrophobicContact CD1-CE2 3.82Å; L148-F181 HydrophobicContact CD1-CZ 4.46Å; L148-F181 HydrophobicContact CG-CE2 4.05Å; F181-T183 VanDerWaalsContact C-N 3.26Å; F181-T183 PolarHBondContact O-N 2.97Å; F181-V195 HydrophobicContact CE2-CG1 4.45Å; F181-A202 HydrophobicContact CE2-CB 4.47Å; F181-A202 HydrophobicContact CZ-CB 3.83Å; F181-L204 HydrophobicContact CB-CD2 3.64Å; F181-L204 HydrophobicContact CD1-CB 3.67Å; F181-L204 HydrophobicContact CD1-CD2 3.94Å; F181-L204 HydrophobicContact CD1-CG 4.45Å; F181-L204 HydrophobicContact CD2-CD2 4.4Å; F181-L204 HydrophobicContact CE1-CB 3.58Å; F181-L204 HydrophobicContact CE2-CB 4.48Å; F181-L204 HydrophobicContact CG-CB 4.15Å; F181-L204 HydrophobicContact CG-CD2 3.76Å; F181-L204 HydrophobicContact CZ-CB 4.01Å; F181-E212 VanDerWaalsContact CA-OE2 3.27Å; F181-E212 WeakPolarHBondContact CA-OE2 3.33Å; F181-E212 HydrophobicContact CD1-CB 3.6Å; F181-E212 HydrophobicContact CE1-CB 4.18Å; F181-I214 HydrophobicContact CB-CD1 4.4Å; F181-I214 HydrophobicContact CD1-CD1 3.43Å; F181-I214 VanDerWaalsContact CD1-CD1 3.43Å; F181-I214 HydrophobicContact CD1-CG1 3.81Å; F181-I214 HydrophobicContact CD2-CD1 3.98Å; F181-I214 HydrophobicContact CE1-CB 4.32Å; F181-I214 HydrophobicContact CE1-CD1 3.6Å; F181-I214 HydrophobicContact CE1-CG1 3.64Å; F181-I214 HydrophobicContact CE2-CD1 4.13Å; F181-I214 HydrophobicContact CG-CD1 3.66Å; F181-I214 HydrophobicContact CZ-CD1 3.96Å; F181-I214 HydrophobicContact CZ-CG1 4.22Å
182K83.8Confident76.3Confident168 Ų16866.8 Ų66.873%0.7335%0.351SS*.  trans-74.6-17-176-65.3-178.4-179.9178.50113.2H145 R184 E212H145-K182 PolarHBondContact ND1-O 3.47Å; K182-R184 PolarHBondContact O-N 2.7Å; K182-E212 VanDerWaalsContact N-CD 3.31Å; K182-E212 PolarHBondContact N-OE1 3.45Å; K182-E212 PolarHBondContact N-OE2 3.26Å
183T82.3Confident79.1Confident26 Ų2660.9 Ų60.916%0.1631%0.31CS..  trans-57.5129.6-179.3-62.20000111.6F181 L185 L204 V206 E212F181-T183 VanDerWaalsContact C-N 3.26Å; F181-T183 PolarHBondContact O-N 2.97Å; T183-L185 HydrophobicContact CG2-CD2 4.3Å; T183-L204 HydrophobicContact CG2-CD2 4.36Å; T183-V206 HydrophobicContact CG2-CG2 3.94Å; T183-E212 WeakPolarHBondContact CB-OE1 3.45Å; T183-E212 PolarHBondContact N-OE1 3.14Å; T183-E212 PolarHBondContact OG1-OE1 3.05Å
184R82.7Confident81.7Confident133 Ų13357.5 Ų57.550%0.50228%0.275SS..  trans-95128.6-179.7-169.4170.1-167.2173.94.8109.2N121 S144 K182 N186N121-R184 PolarHBondContact OD1-NH2 2.67Å; S144-R184 WeakPolarHBondContact O-CA 3.44Å; K182-R184 PolarHBondContact O-N 2.7Å; R184-N186 WeakPolarHBondContact CG-OD1 3.33Å; R184-N186 PolarHBondContact NE-OD1 2.91Å
185L84.5Confident83.7Confident1 Ų149.6 Ų49.61%0.00524%0.241CC..  trans-115.62.5179.9-63.3174.7000112.7L118 G143 L146 T183 H191 V193 V206L118-L185 WeakPolarHBondContact CB-O 3.36Å; L118-L185 HydrophobicContact CD1-CB 4.3Å; G143-L185 PolarHBondContact O-N 3.13Å; L146-L185 HydrophobicContact CD1-CD1 3.88Å; T183-L185 HydrophobicContact CG2-CD2 4.3Å; L185-H191 HydrophobicContact CD2-CB 4.02Å; L185-V193 HydrophobicContact CD1-CG2 3.99Å; L185-V193 HydrophobicContact CD2-CG2 3.78Å; L185-V206 HydrophobicContact CD2-CG1 3.96Å; L185-V206 HydrophobicContact CD2-CG2 4.23Å
186N83.7Confident85.1Confident2 Ų245.9 Ų45.91%0.01122%0.218CC..  trans-10847.4-176.770.2-1.2000112.8L118 L120 N121 L122 G143 S144 R184L118-N186 HydrophobicContact CB-CB 4.3Å; L118-N186 HydrophobicContact CD1-CB 4.48Å; L120-N186 WeakPolarHBondContact CA-O 3.29Å; L120-N186 WeakPolarHBondContact CD2-O 2.96Å; N121-N186 WeakPolarHBondContact CA-ND2 3.49Å; L122-N186 PolarHBondContact N-ND2 3.26Å; L122-N186 PolarHBondContact O-ND2 2.77Å; G143-N186 VanDerWaalsContact C-CG 3.48Å; G143-N186 VanDerWaalsContact C-ND2 3.28Å; S144-N186 PolarHBondContact N-ND2 2.84Å; S144-N186 VanDerWaalsContact N-ND2 3.16Å; R184-N186 WeakPolarHBondContact CG-OD1 3.33Å; R184-N186 PolarHBondContact NE-OD1 2.91Å
187D82.7Confident85.9Confident63 Ų6341.5 Ų41.534%0.33720%0.195SC..SBendtrans-97.4-7.4179.168.3-2.9000114L120 L189 H191L120-D187 WeakPolarHBondContact CD2-O 3.42Å; D187-L189 WeakPolarHBondContact OD1-CB 3.44Å; D187-L189 PolarHBondContact OD1-N 3.04Å; D187-H191 IonicContact OD1-CE1 2.68Å; D187-H191 IonicContact OD1-NE2 3.65Å; D187-H191 PolarHBondContact OD1-NE2 2.84Å; D187-H191 IonicContact OD2-CE1 3.53Å; D187-H191 PolarHBondContact OD2-CE1 2.82Å; D187-H191 IonicContact OD2-NE2 2.69Å; D187-H191 PolarHBondContact OD2-NE2 2.8Å
188G80.3Confident86Confident18 Ų1838.9 Ų38.919%0.18618%0.183CC..SBendtrans89.54.5-176.500000115.2R117 L118R117-G188 PolarHBondContact NE-O 2.83Å; R117-G188 PolarHBondContact NH2-O 2.98Å; R117-G188 VanDerWaalsContact NH2-O 3.13Å; L118-G188 VanDerWaalsContact O-CA 3.27Å; L118-G188 WeakPolarHBondContact O-CA 3.26Å; L118-G188 PolarHBondContact O-N 2.88Å
189L85.9Confident85.4Confident106 Ų10636 Ų3656%0.55518%0.175SC*.SBendtrans-100.5169.3178.1-57.8-178.4000112.2R117 D187R117-L189 VanDerWaalsContact CA-O 3.26Å; R117-L189 WeakPolarHBondContact CA-O 2.98Å; R117-L189 WeakPolarHBondContact CB-O 3.47Å; R117-L189 WeakPolarHBondContact CG-O 2.91Å; D187-L189 WeakPolarHBondContact OD1-CB 3.44Å; D187-L189 PolarHBondContact OD1-N 3.04Å
190W88.3Confident85.1Confident53 Ų5339.5 Ų39.520%0.20120%0.196CC..EExtended strand (participates in β ladder)trans-83.2127.8172-81.4114.4000110.3R65 A85 T115 I116 R117 F239 E241R65-W190 HydrophobicContact CB-CD2 4.07Å; R65-W190 HydrophobicContact CB-CG 4.12Å; R65-W190 HydrophobicContact CG-CB 4.11Å; R65-W190 HydrophobicContact CG-CD2 4.49Å; R65-W190 HydrophobicContact CG-CG 4.04Å; A85-W190 HydrophobicContact CB-CH2 3.53Å; A85-W190 HydrophobicContact CB-CZ2 4.08Å; T115-W190 HydrophobicContact CG2-CE3 4.25Å; I116-W190 VanDerWaalsContact C-CE3 3.49Å; R117-W190 HydrophobicContact CB-CD2 3.64Å; R117-W190 HydrophobicContact CB-CE3 3.62Å; R117-W190 HydrophobicContact CB-CG 4.17Å; R117-W190 HydrophobicContact CB-CH2 4.21Å; R117-W190 HydrophobicContact CB-CZ2 4.27Å; R117-W190 HydrophobicContact CB-CZ3 3.91Å; W190-F239 HydrophobicContact CH2-CB 3.58Å; W190-F239 HydrophobicContact CZ2-CB 4.04Å; W190-F239 HydrophobicContact CZ3-CB 4.41Å; W190-E241 HydrophobicContact CH2-CB 4.23Å; W190-E241 HydrophobicContact CZ3-CB 4.07Å
191H89.9Confident84.9Confident13 Ų1337 Ų376%0.0619%0.185CC..EExtended strand (participates in β ladder)trans-121.4132.2174-64.2-57.4000112T115 I116 L185 D187 V193 V206 D207T115-H191 WeakPolarHBondContact CA-O 3.39Å; I116-H191 PolarHBondContact N-O 3.18Å; I116-H191 PolarHBondContact O-N 3.44Å; L185-H191 HydrophobicContact CD2-CB 4.02Å; D187-H191 IonicContact OD1-CE1 2.68Å; D187-H191 IonicContact OD1-NE2 3.65Å; D187-H191 PolarHBondContact OD1-NE2 2.84Å; D187-H191 IonicContact OD2-CE1 3.53Å; D187-H191 PolarHBondContact OD2-CE1 2.82Å; D187-H191 IonicContact OD2-NE2 2.69Å; D187-H191 PolarHBondContact OD2-NE2 2.8Å; H191-V193 HydrophobicContact CB-CG2 3.92Å; H191-V206 HydrophobicContact CB-CG1 4.2Å; H191-D207 VanDerWaalsContact CA-OD1 3.3Å; H191-D207 WeakPolarHBondContact CA-OD1 3.46Å; H191-D207 IonicContact CE1-OD2 2.65Å; H191-D207 IonicContact CG-OD2 2.73Å; H191-D207 IonicContact ND1-OD2 3.9Å; H191-D207 PolarHBondContact ND1-OD2 2.81Å
192R90.6Very high84.9Confident26 Ų2637 Ų3710%0.09819%0.185CC..EExtended strand (participates in β ladder)trans-90.9110163.6-69.2177.7-73.1-165.7-3.6109T115 V206 D207 C208 S260 P261 N262T115-R192 HydrophobicContact CG2-CG 3.98Å; R192-V206 CarbonylContact O-C 3.57Å; R192-V206 WeakPolarHBondContact O-CA 3.48Å; R192-D207 PolarHBondContact N-OD1 3.45Å; R192-D207 PolarHBondContact O-N 2.79Å; R192-C208 PolarHBondContact NH2-SG 2.94Å; R192-S260 WeakPolarHBondContact CD-O 3.47Å; R192-S260 PolarHBondContact NH1-O 2.81Å; R192-P261 PolarHBondContact NH1-O 2.95Å; R192-N262 VanDerWaalsContact CZ-OD1 3.31Å; R192-N262 PolarHBondContact NH1-OD1 2.91Å; R192-N262 PolarHBondContact NH2-OD1 3.16Å
193V91Very high85.1Confident0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-112.2136.2-174.6-174.40000110.3L113 F114 L146 L185 H191 V195 L204 L205 V206L113-V193 WeakPolarHBondContact CA-O 3.4Å; F114-V193 HydrophobicContact CD1-CB 4.41Å; F114-V193 HydrophobicContact CD2-CB 3.96Å; F114-V193 HydrophobicContact CD2-CG2 4.3Å; F114-V193 HydrophobicContact CE1-CB 4.08Å; F114-V193 HydrophobicContact CE1-CG1 3.84Å; F114-V193 HydrophobicContact CE2-CB 3.59Å; F114-V193 HydrophobicContact CE2-CG1 3.92Å; F114-V193 HydrophobicContact CE2-CG2 3.79Å; F114-V193 HydrophobicContact CG-CB 4.36Å; F114-V193 HydrophobicContact CZ-CB 3.66Å; F114-V193 HydrophobicContact CZ-CG1 3.46Å; F114-V193 VanDerWaalsContact CZ-CG1 3.46Å; F114-V193 HydrophobicContact CZ-CG2 4.21Å; F114-V193 PolarHBondContact N-O 3.25Å; F114-V193 PolarHBondContact O-N 3.05Å; L146-V193 HydrophobicContact CD1-CG1 4.25Å; L185-V193 HydrophobicContact CD1-CG2 3.99Å; L185-V193 HydrophobicContact CD2-CG2 3.78Å; H191-V193 HydrophobicContact CB-CG2 3.92Å; V193-V195 HydrophobicContact CG1-CG2 4.19Å; V193-L204 HydrophobicContact CG1-CD1 3.73Å; V193-L205 WeakPolarHBondContact CA-O 3.31Å; V193-V206 HydrophobicContact CG1-CG2 4.35Å; V193-V206 HydrophobicContact CG2-CG1 4.48Å; V193-V206 HydrophobicContact CG2-CG2 4.37Å
194A90.2Very high85.5Confident0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-137.9129.3169.300000111.1I112 L113 L205 V252 Q255I112-A194 WeakPolarHBondContact O-CA 3.25Å; L113-A194 HydrophobicContact CD1-CB 4.01Å; L113-A194 HydrophobicContact CG-CB 3.86Å; A194-L205 HydrophobicContact CB-CB 4.23Å; A194-L205 PolarHBondContact N-O 3.39Å; A194-L205 PolarHBondContact O-N 2.83Å; A194-V252 HydrophobicContact CB-CB 4.22Å; A194-V252 HydrophobicContact CB-CG1 4.04Å; A194-V252 HydrophobicContact CB-CG2 3.99Å; A194-Q255 HydrophobicContact CB-CB 3.78Å; A194-Q255 HydrophobicContact CB-CG 3.98Å
195V90.3Very high85.8Confident0 Ų026.4 Ų26.40%014%0.139CC..EExtended strand (participates in β ladder)trans-119.6111-178.1-168.60000109S111 I112 L146 L148 F181 V193 I197 R203 L204S111-V195 WeakPolarHBondContact CA-O 3.29Å; I112-V195 PolarHBondContact N-O 2.71Å; I112-V195 PolarHBondContact O-N 2.75Å; L146-V195 HydrophobicContact CD1-CG2 4.19Å; L146-V195 HydrophobicContact CD2-CG2 4.44Å; L148-V195 HydrophobicContact CD1-CG1 4.4Å; L148-V195 HydrophobicContact CD2-CG1 4.48Å; F181-V195 HydrophobicContact CE2-CG1 4.45Å; V193-V195 HydrophobicContact CG1-CG2 4.19Å; V195-I197 HydrophobicContact CG1-CD1 4.25Å; V195-I197 HydrophobicContact CG1-CG1 3.84Å; V195-R203 WeakPolarHBondContact CA-O 3.46Å; V195-L204 HydrophobicContact CG2-CD1 3.91Å
196S88.2Confident86Confident1 Ų126.5 Ų26.51%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-85.8128.2168.3610000108.1A202 R203 V252S196-A202 CarbonylContact O-C 3.53Å; S196-A202 WeakPolarHBondContact O-CA 3.47Å; S196-R203 PolarHBondContact N-O 3.39Å; S196-R203 PolarHBondContact O-N 3Å; S196-R203 WeakPolarHBondContact OG-CB 3.34Å; S196-R203 PolarHBondContact OG-N 2.78Å; S196-V252 VanDerWaalsContact CB-CG2 3.46Å
197I85.6Confident86.3Confident0 Ų028.6 Ų28.60%015%0.15CC..EExtended strand (participates in β ladder)trans-118.384.2-176-58.2-176.9000106.7D109 L110 I112 L138 I140 L148 V195 Y216D109-I197 WeakPolarHBondContact CA-O 3.14Å; L110-I197 PolarHBondContact N-O 3.37Å; L110-I197 WeakPolarHBondContact O-CA 3.16Å; L110-I197 WeakPolarHBondContact O-CB 3.46Å; L110-I197 PolarHBondContact O-N 3.43Å; I112-I197 HydrophobicContact CD1-CD1 3.77Å; I112-I197 HydrophobicContact CG1-CD1 4.11Å; L138-I197 HydrophobicContact CD1-CD1 4.49Å; L138-I197 HydrophobicContact CD2-CD1 3.85Å; L138-I197 HydrophobicContact CD2-CG2 4.19Å; I140-I197 HydrophobicContact CD1-CD1 4.07Å; L148-I197 HydrophobicContact CD2-CD1 4.29Å; V195-I197 HydrophobicContact CG1-CD1 4.25Å; V195-I197 HydrophobicContact CG1-CG1 3.84Å; I197-Y216 WeakPolarHBondContact CG2-OH 3.49Å
198G78.9Confident86.4Confident0 Ų027.9 Ų27.90%015%0.15CC..  trans-84.4172.1177.300000113.1D109 T200 T201 Y216 E249D109-G198 VanDerWaalsContact OD1-CA 3.23Å; D109-G198 WeakPolarHBondContact OD1-CA 3.47Å; G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 2.82Å; G198-T201 WeakPolarHBondContact CA-O 3.4Å; G198-T201 PolarHBondContact N-O 3.03Å; G198-Y216 WeakPolarHBondContact O-CE1 3.48Å; G198-Y216 VanDerWaalsContact O-CZ 3.28Å; G198-Y216 PolarHBondContact O-OH 3.22Å; G198-E249 VanDerWaalsContact CA-OE1 3.22Å; G198-E249 WeakPolarHBondContact CA-OE1 3.47Å
199T74.4Confident86.5Confident57 Ų5733.9 Ų33.935%0.3517%0.171SC..SBendtrans-54-34.2178.547.90000115.1P108 D109P108-T199 HydrophobicContact CB-CG2 4.03Å; D109-T199 WeakPolarHBondContact OD1-CG2 3.29Å; D109-T199 PolarHBondContact OD1-N 3.17Å
200T77.4Confident86.2Confident80 Ų8034.7 Ų34.749%0.49117%0.172SC..SBendtrans-133.1-12.3-175.451.90000114.6G198 N215 Y216G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 2.82Å; T200-N215 WeakPolarHBondContact O-CA 3.38Å; T200-Y216 CarbonylContact C-O 3.59Å; T200-Y216 WeakPolarHBondContact CA-O 3.48Å; T200-Y216 PolarHBondContact O-N 3Å
201T84.6Confident85.7Confident30 Ų3038.9 Ų38.918%0.18419%0.187CC..EExtended strand (participates in β ladder)trans-136.4139.4-176.976.90000111.1G198 I214 N215 Y216G198-T201 WeakPolarHBondContact CA-O 3.4Å; G198-T201 PolarHBondContact N-O 3.03Å; T201-I214 CarbonylContact C-O 3.55Å; T201-I214 WeakPolarHBondContact CA-O 3.21Å; T201-N215 WeakPolarHBondContact CG2-OD1 3.47Å; T201-Y216 VanDerWaalsContact C-CE1 3.43Å
202A87.1Confident85.5Confident0 Ų040.2 Ų40.20%019%0.194CC..EExtended strand (participates in β ladder)trans-116.4136.7171.400000109.2L148 F181 S196 F213 I214 Y216L148-A202 HydrophobicContact CD1-CB 3.79Å; F181-A202 HydrophobicContact CE2-CB 4.47Å; F181-A202 HydrophobicContact CZ-CB 3.83Å; S196-A202 CarbonylContact O-C 3.53Å; S196-A202 WeakPolarHBondContact O-CA 3.47Å; A202-F213 CarbonylContact O-C 3.58Å; A202-F213 VanDerWaalsContact O-CA 3.29Å; A202-F213 WeakPolarHBondContact O-CA 3.19Å; A202-I214 PolarHBondContact N-O 3.06Å; A202-I214 PolarHBondContact O-N 2.83Å; A202-Y216 HydrophobicContact CB-CD1 3.98Å; A202-Y216 HydrophobicContact CB-CE1 3.77Å
203R88.7Confident85.3Confident84 Ų8445.5 Ų45.532%0.31722%0.218SC..EExtended strand (participates in β ladder)trans-122.7139.1177.7-47.5-174.8-172.187.75.7109.4V195 S196 F213 E249V195-R203 WeakPolarHBondContact CA-O 3.46Å; S196-R203 PolarHBondContact N-O 3.39Å; S196-R203 PolarHBondContact O-N 3Å; S196-R203 WeakPolarHBondContact OG-CB 3.34Å; S196-R203 PolarHBondContact OG-N 2.78Å; R203-F213 HydrophobicContact CG-CB 4.35Å; R203-E249 IonicContact CZ-OE2 3.5Å; R203-E249 IonicContact NH1-OE2 3.61Å; R203-E249 PolarHBondContact NH1-OE2 3.37Å; R203-E249 IonicContact NH2-OE2 2.7Å; R203-E249 PolarHBondContact NH2-OE2 2.8Å
204L90Very high84.9Confident0 Ų047.1 Ų47.10%023%0.226CC..EExtended strand (participates in β ladder)trans-115.5117.4178.7175.764.9000109.9L146 F181 T183 V193 V195 V206 R211 E212L146-L204 HydrophobicContact CD1-CD1 4.18Å; F181-L204 HydrophobicContact CB-CD2 3.64Å; F181-L204 HydrophobicContact CD1-CB 3.67Å; F181-L204 HydrophobicContact CD1-CD2 3.94Å; F181-L204 HydrophobicContact CD1-CG 4.45Å; F181-L204 HydrophobicContact CD2-CD2 4.4Å; F181-L204 HydrophobicContact CE1-CB 3.58Å; F181-L204 HydrophobicContact CE2-CB 4.48Å; F181-L204 HydrophobicContact CG-CB 4.15Å; F181-L204 HydrophobicContact CG-CD2 3.76Å; F181-L204 HydrophobicContact CZ-CB 4.01Å; T183-L204 HydrophobicContact CG2-CD2 4.36Å; V193-L204 HydrophobicContact CG1-CD1 3.73Å; V195-L204 HydrophobicContact CG2-CD1 3.91Å; L204-V206 HydrophobicContact CD1-CG2 3.76Å; L204-V206 HydrophobicContact CD2-CG2 4.14Å; L204-V206 HydrophobicContact CG-CG2 3.83Å; L204-R211 PolarHBondContact O-N 3.37Å; L204-E212 HydrophobicContact CB-CB 4.48Å; L204-E212 PolarHBondContact N-O 3.33Å; L204-E212 PolarHBondContact O-N 2.82Å
205L89.4Confident84.4Confident21 Ų2152.7 Ų52.711%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-101.9129.1167.4-15291.8000107.9V193 A194 K209 Q210 V252V193-L205 WeakPolarHBondContact CA-O 3.31Å; A194-L205 HydrophobicContact CB-CB 4.23Å; A194-L205 PolarHBondContact N-O 3.39Å; A194-L205 PolarHBondContact O-N 2.83Å; L205-K209 WeakPolarHBondContact CA-O 3.37Å; L205-Q210 HydrophobicContact CD1-CB 3.83Å; L205-V252 HydrophobicContact CB-CG1 3.61Å; L205-V252 HydrophobicContact CD1-CG1 4.15Å; L205-V252 HydrophobicContact CD2-CG1 4.17Å; L205-V252 HydrophobicContact CG-CG1 4.21Å
206V89.3Confident83.9Confident3 Ų353.3 Ų53.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-132.5126.1172.4-177.80000108.5T183 L185 H191 R192 V193 L204 C208 K209 R211T183-V206 HydrophobicContact CG2-CG2 3.94Å; L185-V206 HydrophobicContact CD2-CG1 3.96Å; L185-V206 HydrophobicContact CD2-CG2 4.23Å; H191-V206 HydrophobicContact CB-CG1 4.2Å; R192-V206 CarbonylContact O-C 3.57Å; R192-V206 WeakPolarHBondContact O-CA 3.48Å; V193-V206 HydrophobicContact CG1-CG2 4.35Å; V193-V206 HydrophobicContact CG2-CG1 4.48Å; V193-V206 HydrophobicContact CG2-CG2 4.37Å; L204-V206 HydrophobicContact CD1-CG2 3.76Å; L204-V206 HydrophobicContact CD2-CG2 4.14Å; L204-V206 HydrophobicContact CG-CG2 3.83Å; V206-C208 VanDerWaalsContact C-N 3.31Å; V206-C208 PolarHBondContact O-N 3.14Å; V206-K209 PolarHBondContact N-O 2.79Å; V206-K209 PolarHBondContact O-N 2.84Å; V206-R211 HydrophobicContact CB-CG 3.87Å; V206-R211 HydrophobicContact CG2-CG 4.25Å
207D88.8Confident82.9Confident45 Ų4556.6 Ų56.624%0.24128%0.276CS..THydrogen-bonded Turntrans52.949.7-176.3-58.3-45.6000112H191 R192 K209H191-D207 VanDerWaalsContact CA-OD1 3.3Å; H191-D207 WeakPolarHBondContact CA-OD1 3.46Å; H191-D207 IonicContact CE1-OD2 2.65Å; H191-D207 IonicContact CG-OD2 2.73Å; H191-D207 IonicContact ND1-OD2 3.9Å; H191-D207 PolarHBondContact ND1-OD2 2.81Å; R192-D207 PolarHBondContact N-OD1 3.45Å; R192-D207 PolarHBondContact O-N 2.79Å; D207-K209 PolarHBondContact O-N 2.8Å
208C85.1Confident82.1Confident49 Ų4957.2 Ų57.233%0.33128%0.278SS..THydrogen-bonded Turntrans65.81.1178.2-44.20000115.4R192 V206 C256R192-C208 PolarHBondContact NH2-SG 2.94Å; V206-C208 VanDerWaalsContact C-N 3.31Å; V206-C208 PolarHBondContact O-N 3.14Å; C208-C256 WeakPolarHBondContact CA-SG 3.06Å; C208-C256 HydrophobicContact CB-CB 3.76Å; C208-C256 WeakPolarHBondContact CB-SG 3.23Å; C208-C256 WeakPolarHBondContact SG-CB 3.43Å; C208-C256 CovalentContact SG-SG 2.02Å; C208-C256 PolarHBondContact SG-SG 2.64Å
209K83.2Confident81.3Confident144 Ų14458.1 Ų58.163%0.62629%0.285SS*.EExtended strand (participates in β ladder)trans-106.5129.1178.3-63-177.6-178.6-174.50109.4L205 V206 D207 R211L205-K209 WeakPolarHBondContact CA-O 3.37Å; V206-K209 PolarHBondContact N-O 2.79Å; V206-K209 PolarHBondContact O-N 2.84Å; D207-K209 PolarHBondContact O-N 2.8Å; K209-R211 PolarHBondContact O-N 2.77Å; K209-R211 VanDerWaalsContact O-N 3.13Å
210Q79.1Confident80.4Confident123 Ų12358.4 Ų58.458%0.57529%0.289SS*.EExtended strand (participates in β ladder)trans-67.4112.5172.8-169179.4-67.300108.4L205L205-Q210 HydrophobicContact CD1-CB 3.83Å
211R78.4Confident79.1Confident140 Ų14059 Ų5953%0.52829%0.292SS..EExtended strand (participates in β ladder)trans-89.5-49.3-177.5-64.4-57-172.3151.65.6111.2L204 V206 K209L204-R211 PolarHBondContact O-N 3.37Å; V206-R211 HydrophobicContact CB-CG 3.87Å; V206-R211 HydrophobicContact CG2-CG 4.25Å; K209-R211 PolarHBondContact O-N 2.77Å; K209-R211 VanDerWaalsContact O-N 3.13Å
212E84.5Confident77.6Confident41 Ų4162 Ų6219%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-149.1154.7-166.8-69.1179.6-119.600112F181 K182 T183 L204F181-E212 VanDerWaalsContact CA-OE2 3.27Å; F181-E212 WeakPolarHBondContact CA-OE2 3.33Å; F181-E212 HydrophobicContact CD1-CB 3.6Å; F181-E212 HydrophobicContact CE1-CB 4.18Å; K182-E212 VanDerWaalsContact N-CD 3.31Å; K182-E212 PolarHBondContact N-OE1 3.45Å; K182-E212 PolarHBondContact N-OE2 3.26Å; T183-E212 WeakPolarHBondContact CB-OE1 3.45Å; T183-E212 PolarHBondContact N-OE1 3.14Å; T183-E212 PolarHBondContact OG1-OE1 3.05Å; L204-E212 HydrophobicContact CB-CB 4.48Å; L204-E212 PolarHBondContact N-O 3.33Å; L204-E212 PolarHBondContact O-N 2.82Å
213F86Confident76.1Confident138 Ų13862.6 Ų62.661%0.60532%0.318SS*.EExtended strand (participates in β ladder)trans-137.5145.6168.768.3-86000109.6A202 R203A202-F213 CarbonylContact O-C 3.58Å; A202-F213 VanDerWaalsContact O-CA 3.29Å; A202-F213 WeakPolarHBondContact O-CA 3.19Å; R203-F213 HydrophobicContact CG-CB 4.35Å
214I84.4Confident74.8Confident34 Ų3460.1 Ų60.117%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-134.3132.5-178.6-57.8174.4000109.2A179 I180 F181 T201 A202A179-I214 HydrophobicContact CB-CD1 4.27Å; A179-I214 HydrophobicContact CB-CG2 3.84Å; I180-I214 VanDerWaalsContact C-CD1 3.4Å; I180-I214 VanDerWaalsContact O-CD1 3.27Å; I180-I214 WeakPolarHBondContact O-CD1 3.32Å; F181-I214 HydrophobicContact CB-CD1 4.4Å; F181-I214 HydrophobicContact CD1-CD1 3.43Å; F181-I214 VanDerWaalsContact CD1-CD1 3.43Å; F181-I214 HydrophobicContact CD1-CG1 3.81Å; F181-I214 HydrophobicContact CD2-CD1 3.98Å; F181-I214 HydrophobicContact CE1-CB 4.32Å; F181-I214 HydrophobicContact CE1-CD1 3.6Å; F181-I214 HydrophobicContact CE1-CG1 3.64Å; F181-I214 HydrophobicContact CE2-CD1 4.13Å; F181-I214 HydrophobicContact CG-CD1 3.66Å; F181-I214 HydrophobicContact CZ-CD1 3.96Å; F181-I214 HydrophobicContact CZ-CG1 4.22Å; T201-I214 CarbonylContact C-O 3.55Å; T201-I214 WeakPolarHBondContact CA-O 3.21Å; A202-I214 PolarHBondContact N-O 3.06Å; A202-I214 PolarHBondContact O-N 2.83Å
215N79.9Confident73.5Confident117 Ų11761.1 Ų61.163%0.62632%0.316SS*.EExtended strand (participates in β ladder)trans-88.5133.6170.2-62.5-22.2000109.1T200 T201T200-N215 WeakPolarHBondContact O-CA 3.38Å; T201-N215 WeakPolarHBondContact CG2-OD1 3.47Å
216Y78.2Confident72.5Confident12 Ų1267.9 Ų67.95%0.04734%0.34CS..  trans-153.2145-170.482.3-72.6000111.3Y150 I197 G198 T200 T201 A202 R218Y150-Y216 AromaticContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CD2 3.63Å; Y150-Y216 HydrophobicContact CD1-CE2 4.11Å; Y150-Y216 AromaticContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CD2 3.86Å; Y150-Y216 HydrophobicContact CD2-CE2 4.21Å; Y150-Y216 AromaticContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CD2 3.5Å; Y150-Y216 VanDerWaalsContact CE1-CD2 3.5Å; Y150-Y216 HydrophobicContact CE1-CE2 4.41Å; Y150-Y216 HydrophobicContact CE1-CG 4.22Å; Y150-Y216 AromaticContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CD2 3.71Å; Y150-Y216 HydrophobicContact CE2-CE2 4.48Å; Y150-Y216 AromaticContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CD2 3.82Å; Y150-Y216 HydrophobicContact CG-CE2 4.01Å; Y150-Y216 AromaticContact CZ-CD2 3.53Å; Y150-Y216 WeakPolarHBondContact OH-CB 3.36Å; I197-Y216 WeakPolarHBondContact CG2-OH 3.49Å; G198-Y216 WeakPolarHBondContact O-CE1 3.48Å; G198-Y216 VanDerWaalsContact O-CZ 3.28Å; G198-Y216 PolarHBondContact O-OH 3.22Å; T200-Y216 CarbonylContact C-O 3.59Å; T200-Y216 WeakPolarHBondContact CA-O 3.48Å; T200-Y216 PolarHBondContact O-N 3Å; T201-Y216 VanDerWaalsContact C-CE1 3.43Å; A202-Y216 HydrophobicContact CB-CD1 3.98Å; A202-Y216 HydrophobicContact CB-CE1 3.77Å; Y216-R218 HydrophobicContact CD2-CB 4.23Å; Y216-R218 HydrophobicContact CE2-CB 3.71Å; Y216-R218 HydrophobicContact CE2-CG 4.18Å; Y216-R218 PolarHBondContact O-N 2.96Å; Y216-R218 WeakPolarHBondContact OH-CD 3.29Å
217N68.4Low71.6Confident70 Ų7067.9 Ų67.937%0.37434%0.341SS..  trans-101.570.3-164.1-172.321.8000113.4Y150 S152 R153Y150-N217 PolarHBondContact OH-N 2.8Å; S152-N217 WeakPolarHBondContact CA-O 3.41Å; R153-N217 PolarHBondContact N-O 2.9Å
218R68.7Low71.2Confident13 Ų1372.3 Ų72.35%0.04935%0.354CS..BIsolated β-bridgetrans-77.5140.6-174.1-165.9178175.9-152.1-2.8113.2P108 Y150 Y216 S220P108-R218 PolarHBondContact O-NH1 3.36Å; Y150-R218 HydrophobicContact CD2-CB 4.29Å; Y150-R218 HydrophobicContact CD2-CG 4.43Å; Y216-R218 HydrophobicContact CD2-CB 4.23Å; Y216-R218 HydrophobicContact CE2-CB 3.71Å; Y216-R218 HydrophobicContact CE2-CG 4.18Å; Y216-R218 PolarHBondContact O-N 2.96Å; Y216-R218 WeakPolarHBondContact OH-CD 3.29Å; R218-S220 PolarHBondContact O-N 2.98Å
219S62.5Low71Confident20 Ų2070 Ų7014%0.1434%0.338CS..  trans-71119172.255.10000112.4L151 T221L151-S219 PolarHBondContact O-N 3.47Å; L151-S219 PolarHBondContact O-OG 3.25Å; S219-T221 PolarHBondContact O-N 2.9Å
220S53.9Low71.1Confident63 Ų6363.4 Ų63.444%0.44131%0.31SS..  trans-74.825.6-177.574.90000114.9R153 R218 S222R153-S220 PolarHBondContact NH2-OG 2.89Å; R218-S220 PolarHBondContact O-N 2.98Å; S220-S222 PolarHBondContact O-N 3.3Å
221T51.1Low71.3Confident91 Ų9157.6 Ų57.656%0.55828%0.283SS*.PPolyproline II helixtrans-72.1123.7-177.843.50000110.2S219 I223S219-T221 PolarHBondContact O-N 2.9Å; T221-I223 PolarHBondContact O-N 3.17Å; T221-I223 VanDerWaalsContact O-N 3.1Å
222S52.8Low71.4Confident95 Ų9551 Ų5166%0.66426%0.258SS*.PPolyproline II helixtrans-46.3118.8172.9177.30000110.1S220 D224S220-S222 PolarHBondContact O-N 3.3Å; S222-D224 PolarHBondContact O-N 2.71Å
223I55.8Low71.2Confident11 Ų1151.4 Ų51.46%0.05626%0.259CS..BIsolated β-bridgetrans-82.9116.3-176.4-62.8168.4000106.9F106 L129 I137 T221 N225F106-I223 HydrophobicContact CB-CB 3.55Å; F106-I223 HydrophobicContact CB-CD1 4.24Å; F106-I223 HydrophobicContact CB-CG1 4.46Å; F106-I223 HydrophobicContact CB-CG2 3.56Å; F106-I223 HydrophobicContact CD1-CD1 4.06Å; F106-I223 HydrophobicContact CG-CB 4.46Å; F106-I223 HydrophobicContact CG-CD1 4.49Å; F106-I223 HydrophobicContact CG-CG2 4.13Å; F106-I223 PolarHBondContact N-O 3.35Å; L129-I223 HydrophobicContact CD2-CD1 4.03Å; L129-I223 HydrophobicContact CD2-CG2 4.34Å; I137-I223 HydrophobicContact CD1-CB 4.35Å; I137-I223 HydrophobicContact CD1-CD1 4.49Å; I137-I223 HydrophobicContact CD1-CG1 4.05Å; I137-I223 HydrophobicContact CD1-CG2 3.67Å; I137-I223 HydrophobicContact CG2-CD1 4.15Å; I137-I223 HydrophobicContact CG2-CG1 4.34Å; T221-I223 PolarHBondContact O-N 3.17Å; T221-I223 VanDerWaalsContact O-N 3.1Å; I223-N225 PolarHBondContact O-N 2.86Å
224D61.2Low70.7Confident33 Ų3347.7 Ų47.718%0.17625%0.246CC..PPolyproline II helixtrans-59.4118.4174.1-170.5-18.3000109.3R132 S222 R226 G227R132-D224 HydrophobicContact CB-CB 4.37Å; R132-D224 WeakPolarHBondContact CD-OD2 3.4Å; R132-D224 HydrophobicContact CG-CB 4.16Å; R132-D224 VanDerWaalsContact CG-OD2 3.24Å; R132-D224 WeakPolarHBondContact CG-OD2 3.15Å; R132-D224 IonicContact CZ-OD2 3.05Å; R132-D224 IonicContact NE-OD2 2.65Å; R132-D224 IonicContact NH1-OD2 3.23Å; R132-D224 PolarHBondContact NH1-OD2 3.12Å; S222-D224 PolarHBondContact O-N 2.71Å; D224-R226 PolarHBondContact O-N 3.33Å; D224-R226 VanDerWaalsContact O-N 3.1Å; D224-R226 VanDerWaalsContact OD1-CB 3.24Å; D224-R226 WeakPolarHBondContact OD1-CB 3.42Å; D224-R226 WeakPolarHBondContact OD1-CD 3.29Å; D224-R226 WeakPolarHBondContact OD1-CG 3.47Å; D224-R226 PolarHBondContact OD1-N 3.29Å; D224-G227 PolarHBondContact O-N 2.85Å
225N63.6Low70.3Confident20 Ų2046.1 Ų46.111%0.10724%0.238CC..THydrogen-bonded Turntrans-66.2-9.5179.464.6-5.1000113G98 R99 I102 P103 D104 I223 G227G98-N225 CarbonylContact C-O 3.47Å; G98-N225 VanDerWaalsContact CA-O 3.23Å; G98-N225 WeakPolarHBondContact CA-O 3.33Å; R99-N225 PolarHBondContact N-O 3.27Å; I102-N225 PolarHBondContact O-ND2 3.4Å; P103-N225 PolarHBondContact O-ND2 3.24Å; D104-N225 VanDerWaalsContact C-ND2 3.29Å; D104-N225 WeakPolarHBondContact O-CB 3.29Å; D104-N225 PolarHBondContact O-ND2 2.94Å; I223-N225 PolarHBondContact O-N 2.86Å; N225-G227 PolarHBondContact O-N 2.76Å
226R67.8Low70.2Confident164 Ų16441 Ų4162%0.61921%0.211SC*.THydrogen-bonded Turntrans-72.76.1166.9-55.3169.4-170.7-154.62.8113.8R132 D224R132-R226 HydrophobicContact CB-CB 4Å; D224-R226 PolarHBondContact O-N 3.33Å; D224-R226 VanDerWaalsContact O-N 3.1Å; D224-R226 VanDerWaalsContact OD1-CB 3.24Å; D224-R226 WeakPolarHBondContact OD1-CB 3.42Å; D224-R226 WeakPolarHBondContact OD1-CD 3.29Å; D224-R226 WeakPolarHBondContact OD1-CG 3.47Å; D224-R226 PolarHBondContact OD1-N 3.29Å
227G70.9Confident70.1Confident3 Ų342.1 Ų42.13%0.03122%0.216CC..SBendtrans-64.7175.2168.700000113.9G98 Y130 D224 N225G98-G227 PolarHBondContact N-O 3.15Å; Y130-G227 CarbonylContact O-C 3.27Å; Y130-G227 WeakPolarHBondContact O-CA 3.2Å; D224-G227 PolarHBondContact O-N 2.85Å; N225-G227 PolarHBondContact O-N 2.76Å
228R79.5Confident70.9Confident137 Ų13739 Ų3952%0.51720%0.201SC..EExtended strand (participates in β ladder)trans-116.6141.9172.8-71.9-175.6177-177.8-2.1110Y130Y130-R228 WeakPolarHBondContact CB-O 3.41Å; Y130-R228 PolarHBondContact N-O 3.42Å; Y130-R228 PolarHBondContact O-N 2.85Å; Y130-R228 VanDerWaalsContact O-N 3.09Å
229I81.1Confident71.8Confident0 Ų041.3 Ų41.30%021%0.211CC..EExtended strand (participates in β ladder)trans-105.8131.3169.3-47.4-155.2000108.1Y95 I96 L101 F106 F127 T128 L129 V231 L245Y95-I229 CarbonylContact C-O 3.02Å; Y95-I229 VanDerWaalsContact CA-O 3.3Å; Y95-I229 WeakPolarHBondContact CA-O 3.1Å; I96-I229 PolarHBondContact N-O 2.9Å; I96-I229 PolarHBondContact O-N 2.95Å; L101-I229 HydrophobicContact CD1-CB 4.38Å; L101-I229 HydrophobicContact CD1-CD1 3.48Å; L101-I229 VanDerWaalsContact CD1-CD1 3.48Å; L101-I229 HydrophobicContact CD1-CG1 3.96Å; F106-I229 HydrophobicContact CE2-CD1 3.79Å; F106-I229 HydrophobicContact CZ-CD1 4.16Å; F127-I229 HydrophobicContact CD2-CG2 3.85Å; F127-I229 HydrophobicContact CE2-CD1 4.32Å; F127-I229 HydrophobicContact CE2-CG2 3.28Å; F127-I229 HydrophobicContact CZ-CD1 4.29Å; F127-I229 HydrophobicContact CZ-CG2 3.83Å; T128-I229 WeakPolarHBondContact O-CA 3.18Å; L129-I229 HydrophobicContact CD1-CD1 3.96Å; L129-I229 HydrophobicContact CD1-CG1 3.8Å; I229-V231 HydrophobicContact CG2-CG2 3.89Å; I229-L245 HydrophobicContact CD1-CD1 4.36Å
230Q85.2Confident73.1Confident7 Ų740.3 Ų40.33%0.03321%0.205CC..EExtended strand (participates in β ladder)trans-105.4133.8167.8-173.9172.112.400109.1N93 L94 Y95 F127 T128 Y130 K233N93-Q230 PolarHBondContact OD1-NE2 3.02Å; L94-Q230 WeakPolarHBondContact O-CA 3.42Å; Y95-Q230 HydrophobicContact CD1-CB 3.8Å; Y95-Q230 HydrophobicContact CD1-CG 3.96Å; Y95-Q230 HydrophobicContact CE1-CB 3.67Å; Y95-Q230 HydrophobicContact CE1-CG 3.56Å; Y95-Q230 PolarHBondContact OH-NE2 2.8Å; F127-Q230 CarbonylContact C-O 3.52Å; F127-Q230 WeakPolarHBondContact CA-O 3.41Å; T128-Q230 PolarHBondContact N-O 3.45Å; T128-Q230 PolarHBondContact O-N 2.91Å; Y130-Q230 HydrophobicContact CE2-CB 3.96Å; Y130-Q230 PolarHBondContact OH-OE1 2.89Å; Q230-K233 HydrophobicContact CG-CB 4.46Å
231V83.7Confident74.8Confident1 Ų137.9 Ų37.91%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-130.9134.3-171.6169.30000107.9V47 L94 I96 F127 I229 F243V47-V231 HydrophobicContact CG1-CB 4.48Å; V47-V231 HydrophobicContact CG1-CG1 3.94Å; V47-V231 HydrophobicContact CG1-CG2 3.81Å; L94-V231 HydrophobicContact CB-CB 4.35Å; L94-V231 WeakPolarHBondContact CB-O 3.25Å; L94-V231 PolarHBondContact N-O 2.81Å; L94-V231 PolarHBondContact O-N 3.45Å; I96-V231 HydrophobicContact CD1-CG2 4.22Å; F127-V231 HydrophobicContact CD2-CG2 4.42Å; I229-V231 HydrophobicContact CG2-CG2 3.89Å; V231-F243 HydrophobicContact CG1-CD1 4.17Å; V231-F243 HydrophobicContact CG1-CE1 3.82Å; V231-F243 HydrophobicContact CG2-CE1 4.43Å
232L80.2Confident76.5Confident1 Ų134.1 Ų34.11%0.00516%0.162CC..SBendtrans50.859.6177.8-50.3-169.2000113.6I53 V88 L94 F126 D234 G235 I236 I240I53-L232 HydrophobicContact CD1-CD1 4.32Å; V88-L232 HydrophobicContact CG2-CD1 3.84Å; L94-L232 HydrophobicContact CD1-CD1 4.49Å; F126-L232 HydrophobicContact CD2-CD2 3.53Å; F126-L232 HydrophobicContact CE2-CD2 3.39Å; F126-L232 HydrophobicContact CG-CD2 4.41Å; F126-L232 HydrophobicContact CZ-CD2 4.15Å; F126-L232 PolarHBondContact O-N 2.93Å; L232-D234 PolarHBondContact O-N 3.12Å; L232-G235 PolarHBondContact O-N 3.42Å; L232-G235 VanDerWaalsContact O-N 3.09Å; L232-I236 HydrophobicContact CD1-CD1 3.75Å; L232-I236 HydrophobicContact CD1-CG1 4.27Å; L232-I236 HydrophobicContact CD2-CD1 3.49Å; L232-I236 VanDerWaalsContact CD2-CD1 3.49Å; L232-I236 HydrophobicContact CD2-CG1 3.95Å; L232-I236 HydrophobicContact CG-CD1 4.15Å; L232-I236 HydrophobicContact CG-CG1 4.47Å; L232-I240 HydrophobicContact CD1-CG2 4.28Å; L232-I240 HydrophobicContact CD2-CD1 4.41Å
233K81.3Confident78.3Confident50 Ų5029.6 Ų29.622%0.21713%0.131CC..THydrogen-bonded Turntrans-64.5121.7-176.1178-175.6-176.7-172.60111.6N93 E125 Q230 G235N93-K233 WeakPolarHBondContact OD1-CA 3.35Å; N93-K233 VanDerWaalsContact OD1-CG 3.3Å; N93-K233 WeakPolarHBondContact OD1-CG 3Å; E125-K233 HydrophobicContact CB-CB 4.16Å; E125-K233 HydrophobicContact CB-CD 3.99Å; E125-K233 VanDerWaalsContact CD-CD 3.46Å; E125-K233 HydrophobicContact CG-CD 4.31Å; E125-K233 PolarHBondContact O-N 2.86Å; E125-K233 IonicContact OE1-NZ 3.62Å; E125-K233 PolarHBondContact OE1-NZ 2.92Å; E125-K233 WeakPolarHBondContact OE2-CD 3.12Å; E125-K233 IonicContact OE2-NZ 2.85Å; E125-K233 PolarHBondContact OE2-NZ 3Å; Q230-K233 HydrophobicContact CG-CB 4.46Å; K233-G235 PolarHBondContact O-N 3.05Å
234D75.8Confident79.8Confident59 Ų5929.7 Ų29.732%0.31613%0.131SC..THydrogen-bonded Turntrans54.436-173.8-54.4-42.6000113.1R90 L92 N93 K124 L232R90-D234 WeakPolarHBondContact CA-O 3.33Å; L92-D234 VanDerWaalsContact O-CA 3.23Å; L92-D234 WeakPolarHBondContact O-CA 3.47Å; L92-D234 PolarHBondContact O-N 2.88Å; N93-D234 PolarHBondContact ND2-OD1 2.92Å; N93-D234 PolarHBondContact OD1-N 3.27Å; K124-D234 PolarHBondContact NZ-O 3.02Å; L232-D234 PolarHBondContact O-N 3.12Å
235G75.9Confident80.9Confident2 Ų228.5 Ų28.52%0.02112%0.124CC..  trans75.8-178173.400000116.9V88 L92 L232 K233V88-G235 CarbonylContact O-C 3.59Å; V88-G235 VanDerWaalsContact O-CA 3.27Å; V88-G235 WeakPolarHBondContact O-CA 3.21Å; L92-G235 PolarHBondContact O-N 2.86Å; L232-G235 PolarHBondContact O-N 3.42Å; L232-G235 VanDerWaalsContact O-N 3.09Å; K233-G235 PolarHBondContact O-N 3.05Å
236I76.7Confident81.8Confident10 Ų1028.1 Ų28.15%0.05112%0.122CC..  trans-118.5132.3174.9-74.5174.4000109.1V88 I116 L118 F126 L232 G238 I240V88-I236 PolarHBondContact O-N 3.24Å; V88-I236 VanDerWaalsContact O-O 3.04Å; I116-I236 HydrophobicContact CD1-CD1 3.82Å; I116-I236 HydrophobicContact CD1-CG2 4.43Å; L118-I236 HydrophobicContact CD2-CG2 3.97Å; F126-I236 HydrophobicContact CE2-CD1 4.12Å; L232-I236 HydrophobicContact CD1-CD1 3.75Å; L232-I236 HydrophobicContact CD1-CG1 4.27Å; L232-I236 HydrophobicContact CD2-CD1 3.49Å; L232-I236 VanDerWaalsContact CD2-CD1 3.49Å; L232-I236 HydrophobicContact CD2-CG1 3.95Å; L232-I236 HydrophobicContact CG-CD1 4.15Å; L232-I236 HydrophobicContact CG-CG1 4.47Å; I236-G238 PolarHBondContact O-N 2.86Å; I236-I240 HydrophobicContact CD1-CB 3.88Å; I236-I240 HydrophobicContact CD1-CD1 4.12Å; I236-I240 HydrophobicContact CD1-CG2 3.99Å
237H76.6Confident82.2Confident35 Ų3523.7 Ų23.716%0.16212%0.115CC..SBendtrans-87.898.3163.2-82.2-90.1000109.6R90 L118 E119 L122R90-H237 WeakPolarHBondContact CG-NE2 3.28Å; R90-H237 VanDerWaalsContact CZ-NE2 3.34Å; R90-H237 PolarHBondContact NE-CE1 2.86Å; R90-H237 PolarHBondContact NE-NE2 3.11Å; R90-H237 PolarHBondContact NH2-CE1 2.82Å; R90-H237 PolarHBondContact NH2-NE2 3.07Å; R90-H237 VanDerWaalsContact NH2-NE2 3.16Å; L118-H237 WeakPolarHBondContact CA-O 3.33Å; E119-H237 HydrophobicContact CB-CB 4.17Å; E119-H237 HydrophobicContact CG-CB 4.2Å; E119-H237 PolarHBondContact N-O 2.83Å; E119-H237 WeakPolarHBondContact OE2-CB 3.48Å; E119-H237 IonicContact OE2-CG 3.67Å; E119-H237 IonicContact OE2-ND1 2.82Å; E119-H237 PolarHBondContact OE2-ND1 2.95Å; L122-H237 HydrophobicContact CD1-CB 3.82Å; L122-H237 HydrophobicContact CD2-CB 3.74Å; L122-H237 HydrophobicContact CG-CB 4.31Å
238G83.9Confident82.3Confident5 Ų524.7 Ų24.75%0.05213%0.125CC..EExtended strand (participates in β ladder)trans129.6-151.6-168.200000111.6S87 R117 I236S87-G238 WeakPolarHBondContact CA-O 3.07Å; S87-G238 WeakPolarHBondContact CB-O 3.31Å; S87-G238 PolarHBondContact OG-O 2.99Å; R117-G238 CarbonylContact O-C 3.48Å; R117-G238 WeakPolarHBondContact O-CA 3.48Å; I236-G238 PolarHBondContact O-N 2.86Å
239F88.8Confident82Confident60 Ų6021 Ų2126%0.26311%0.113SC..EExtended strand (participates in β ladder)trans-134.9139.9-170.8-55.4-82.8000111.4S62 A85 Y86 I116 R117 W190S62-F239 WeakPolarHBondContact OG-CD1 3.25Å; A85-F239 HydrophobicContact CB-CB 4.09Å; Y86-F239 WeakPolarHBondContact O-CA 3.5Å; I116-F239 CarbonylContact C-O 3.39Å; I116-F239 WeakPolarHBondContact CA-O 3.46Å; I116-F239 WeakPolarHBondContact CG1-O 3.47Å; R117-F239 PolarHBondContact N-O 3.01Å; R117-F239 PolarHBondContact O-N 2.68Å; W190-F239 HydrophobicContact CH2-CB 3.58Å; W190-F239 HydrophobicContact CZ2-CB 4.04Å; W190-F239 HydrophobicContact CZ3-CB 4.41Å
240I90Very high81.5Confident0 Ų027.6 Ų27.60%015%0.145CC..EExtended strand (participates in β ladder)trans-120.7128.3172.1-168.8169.4000109.9L48 A85 Y86 T115 I116 F126 L232 I236 F243L48-I240 HydrophobicContact CD1-CG1 4.45Å; L48-I240 HydrophobicContact CD1-CG2 4.43Å; L48-I240 HydrophobicContact CD2-CD1 4.28Å; L48-I240 HydrophobicContact CD2-CG2 4.42Å; A85-I240 CarbonylContact C-O 3.48Å; A85-I240 VanDerWaalsContact CA-O 3.31Å; A85-I240 WeakPolarHBondContact CA-O 3.49Å; Y86-I240 PolarHBondContact N-O 2.62Å; Y86-I240 PolarHBondContact O-N 3.05Å; T115-I240 WeakPolarHBondContact O-CA 3.41Å; T115-I240 WeakPolarHBondContact O-CG1 3.43Å; I116-I240 HydrophobicContact CG1-CB 4.46Å; F126-I240 HydrophobicContact CE2-CD1 3.83Å; F126-I240 HydrophobicContact CZ-CD1 3.8Å; L232-I240 HydrophobicContact CD1-CG2 4.28Å; L232-I240 HydrophobicContact CD2-CD1 4.41Å; I236-I240 HydrophobicContact CD1-CB 3.88Å; I236-I240 HydrophobicContact CD1-CD1 4.12Å; I236-I240 HydrophobicContact CD1-CG2 3.99Å; I240-F243 HydrophobicContact CD1-CB 4.05Å; I240-F243 HydrophobicContact CD1-CD1 4.35Å; I240-F243 HydrophobicContact CD1-CG 4.45Å
241E88.9Confident80.7Confident11 Ų1127.4 Ų27.45%0.05114%0.144CC..EExtended strand (participates in β ladder)trans-97.2-55.4-178.8-179173-126.300110L48 G64 R65 A85 T115 W190L48-E241 VanDerWaalsContact CD1-O 3.25Å; L48-E241 WeakPolarHBondContact CD1-O 3.24Å; G64-E241 WeakPolarHBondContact CA-OE1 3.36Å; R65-E241 WeakPolarHBondContact CB-OE2 3.38Å; R65-E241 PolarHBondContact N-OE1 3.3Å; R65-E241 IonicContact NE-OE2 2.72Å; A85-E241 HydrophobicContact CB-CB 4.15Å; T115-E241 HydrophobicContact CG2-CB 4.19Å; T115-E241 VanDerWaalsContact CG2-OE2 3.28Å; T115-E241 WeakPolarHBondContact CG2-OE2 3.43Å; T115-E241 PolarHBondContact O-N 2.88Å; W190-E241 HydrophobicContact CH2-CB 4.23Å; W190-E241 HydrophobicContact CZ3-CB 4.07Å
242D87.8Confident80.2Confident12 Ų1227.9 Ų27.96%0.06415%0.147CC..EExtended strand (participates in β ladder)trans-121.5147.4-178.6-51.8-58.3000111.7F114 T115 Y244 S260F114-D242 VanDerWaalsContact CA-O 3.24Å; F114-D242 WeakPolarHBondContact CA-O 3.4Å; F114-D242 WeakPolarHBondContact CB-O 3.34Å; T115-D242 WeakPolarHBondContact CB-OD2 3.44Å; T115-D242 PolarHBondContact N-O 3.23Å; T115-D242 PolarHBondContact OG1-OD2 3.42Å; D242-Y244 HydrophobicContact CB-CD2 4.34Å; D242-Y244 HydrophobicContact CB-CE2 3.76Å; D242-S260 WeakPolarHBondContact OD2-CB 3.43Å; D242-S260 PolarHBondContact OD2-OG 3.13Å
243F90.1Very high79.9Confident0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-148.5112.7163.1-170.4-175.6000111.6V47 L48 I112 L113 F114 F126 F127 V231 I240 L245V47-F243 HydrophobicContact CB-CB 4.14Å; V47-F243 HydrophobicContact CB-CD1 3.8Å; V47-F243 HydrophobicContact CB-CD2 4.33Å; V47-F243 HydrophobicContact CB-CE1 4.26Å; V47-F243 HydrophobicContact CB-CG 3.84Å; V47-F243 WeakPolarHBondContact CB-O 3.41Å; V47-F243 HydrophobicContact CG1-CD1 3.8Å; V47-F243 HydrophobicContact CG1-CE1 3.91Å; V47-F243 HydrophobicContact CG1-CG 4.35Å; V47-F243 HydrophobicContact CG2-CD1 4.21Å; V47-F243 HydrophobicContact CG2-CD2 3.97Å; V47-F243 HydrophobicContact CG2-CE1 4.38Å; V47-F243 HydrophobicContact CG2-CE2 4.11Å; V47-F243 HydrophobicContact CG2-CG 4.01Å; V47-F243 HydrophobicContact CG2-CZ 4.33Å; V47-F243 PolarHBondContact N-O 2.76Å; L48-F243 HydrophobicContact CD1-CB 4.44Å; L48-F243 HydrophobicContact CD2-CB 3.78Å; L48-F243 HydrophobicContact CD2-CD1 4.42Å; L48-F243 HydrophobicContact CG-CB 3.77Å; I112-F243 HydrophobicContact CG2-CE2 3.7Å; I112-F243 HydrophobicContact CG2-CZ 4.31Å; L113-F243 CarbonylContact O-C 3.52Å; L113-F243 WeakPolarHBondContact O-CA 2.99Å; L113-F243 WeakPolarHBondContact O-CD2 3.22Å; F114-F243 HydrophobicContact CB-CB 4.46Å; F114-F243 HydrophobicContact CB-CD2 4.09Å; F114-F243 HydrophobicContact CB-CG 4.38Å; F126-F243 HydrophobicContact CD1-CE1 4.5Å; F126-F243 HydrophobicContact CD1-CZ 4.32Å; F126-F243 HydrophobicContact CE1-CD1 4.24Å; F126-F243 HydrophobicContact CE1-CD2 4.41Å; F126-F243 AromaticContact CE1-CE1 3.73Å; F126-F243 HydrophobicContact CE1-CE1 3.73Å; F126-F243 AromaticContact CE1-CE2 3.97Å; F126-F243 HydrophobicContact CE1-CE2 3.97Å; F126-F243 AromaticContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CE1-CZ 3.59Å; F126-F243 HydrophobicContact CZ-CD1 4.02Å; F126-F243 AromaticContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CE1 3.93Å; F126-F243 HydrophobicContact CZ-CG 4.35Å; F126-F243 HydrophobicContact CZ-CZ 4.21Å; F127-F243 AromaticContact CD2-CZ 3.91Å; F127-F243 HydrophobicContact CD2-CZ 3.91Å; V231-F243 HydrophobicContact CG1-CD1 4.17Å; V231-F243 HydrophobicContact CG1-CE1 3.82Å; V231-F243 HydrophobicContact CG2-CE1 4.43Å; I240-F243 HydrophobicContact CD1-CB 4.05Å; I240-F243 HydrophobicContact CD1-CD1 4.35Å; I240-F243 HydrophobicContact CD1-CG 4.45Å; F243-L245 HydrophobicContact CE2-CD2 4.07Å
244Y87.7Confident79.7Confident14 Ų1436.2 Ų36.26%0.05519%0.188CC..EExtended strand (participates in β ladder)trans-117.6146.8178-54-71.2000113.7T44 L45 D46 L113 D242 Y259T44-Y244 HydrophobicContact CG2-CD1 4.37Å; L45-Y244 CarbonylContact O-C 3.52Å; L45-Y244 WeakPolarHBondContact O-CA 3.23Å; D46-Y244 HydrophobicContact CB-CD1 3.95Å; D46-Y244 HydrophobicContact CB-CE1 3.75Å; L113-Y244 PolarHBondContact N-O 3.32Å; L113-Y244 PolarHBondContact O-N 2.8Å; D242-Y244 HydrophobicContact CB-CD2 4.34Å; D242-Y244 HydrophobicContact CB-CE2 3.76Å; Y244-Y259 HydrophobicContact CD1-CD1 4.46Å; Y244-Y259 AromaticContact CD2-CD1 3.72Å; Y244-Y259 HydrophobicContact CD2-CD1 3.72Å; Y244-Y259 AromaticContact CD2-CG 3.96Å; Y244-Y259 HydrophobicContact CD2-CG 3.96Å; Y244-Y259 AromaticContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CG 4.16Å; Y244-Y259 HydrophobicContact CG-CD1 4.08Å
245L84.4Confident79.9Confident8 Ų833.4 Ų33.44%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-117129.4166-63175.4000109.6L45 V47 L110 I112 F127 I229 F243L45-L245 HydrophobicContact CB-CB 4.43Å; L45-L245 HydrophobicContact CD2-CB 4.29Å; L45-L245 HydrophobicContact CD2-CD1 4.03Å; L45-L245 HydrophobicContact CD2-CG 4.5Å; L45-L245 PolarHBondContact N-O 3.39Å; L45-L245 PolarHBondContact O-N 2.79Å; V47-L245 HydrophobicContact CG2-CB 4.43Å; V47-L245 HydrophobicContact CG2-CD1 3.87Å; V47-L245 HydrophobicContact CG2-CG 3.6Å; L110-L245 HydrophobicContact CD2-CD2 4.41Å; I112-L245 HydrophobicContact CB-CD2 4.2Å; I112-L245 HydrophobicContact CD1-CD2 4.02Å; I112-L245 HydrophobicContact CG1-CD2 3.67Å; I112-L245 HydrophobicContact CG2-CD2 4.04Å; F127-L245 HydrophobicContact CE2-CD1 3.88Å; F127-L245 HydrophobicContact CE2-CD2 4.05Å; F127-L245 HydrophobicContact CZ-CD1 4.4Å; F127-L245 HydrophobicContact CZ-CD2 4.4Å; I229-L245 HydrophobicContact CD1-CD1 4.36Å; F243-L245 HydrophobicContact CE2-CD2 4.07Å
246L81.7Confident80Confident11 Ų1134 Ų346%0.05818%0.177CC..EExtended strand (participates in β ladder)trans-125.3139.3-179.2-7479.2000111.3T44 L110 S111 L113 Y259T44-L246 HydrophobicContact CG2-CD1 3.64Å; T44-L246 HydrophobicContact CG2-CD2 4.37Å; T44-L246 HydrophobicContact CG2-CG 3.71Å; L110-L246 WeakPolarHBondContact CD1-O 3.21Å; S111-L246 PolarHBondContact N-O 2.79Å; S111-L246 PolarHBondContact O-N 3.4Å; L113-L246 HydrophobicContact CD1-CD1 4.19Å; L113-L246 HydrophobicContact CD2-CD1 3.81Å; L113-L246 HydrophobicContact CD2-CD2 4.49Å; L113-L246 HydrophobicContact CG-CD1 4.42Å; L246-Y259 HydrophobicContact CD1-CE2 4.44Å; L246-Y259 HydrophobicContact CD2-CE2 3.71Å
247P76.4Confident80.1Confident72 Ų7239.9 Ų39.947%0.46821%0.208SC..EExtended strand (participates in β ladder)trans-68.6137.316829.5-34.6000111G43 P107G43-P247 WeakPolarHBondContact O-CD 2.76Å; P107-P247 HydrophobicContact CG-CB 3.97Å
248G73.5Confident80.1Confident24 Ų2441.1 Ų41.125%0.24722%0.219CC..SBendtrans86.1169.5176.600000115.5D109 L110 S111D109-G248 PolarHBondContact O-N 3.36Å; L110-G248 CarbonylContact C-O 3.2Å; S111-G248 PolarHBondContact N-O 3.45Å; S111-G248 PolarHBondContact OG-O 3.4Å
249E72.3Confident79.9Confident58 Ų5841.4 Ų41.427%0.27122%0.218SC..G310 helixtrans-78.9-21.2-179.2-61.9-17017900114D109 S111 G198 R203 G251D109-E249 HydrophobicContact CB-CG 4.12Å; S111-E249 PolarHBondContact OG-O 3.01Å; G198-E249 VanDerWaalsContact CA-OE1 3.22Å; G198-E249 WeakPolarHBondContact CA-OE1 3.47Å; R203-E249 IonicContact CZ-OE2 3.5Å; R203-E249 IonicContact NH1-OE2 3.61Å; R203-E249 PolarHBondContact NH1-OE2 3.37Å; R203-E249 IonicContact NH2-OE2 2.7Å; R203-E249 PolarHBondContact NH2-OE2 2.8Å; E249-G251 PolarHBondContact O-N 3.25Å
250E70.8Confident79.5Confident140 Ų14038.7 Ų38.765%0.65421%0.207SC*.G310 helixtrans-69.9-12.4-173-66.5-169.5176.200114.6V252 I253E250-V252 PolarHBondContact O-N 3.29Å; E250-I253 PolarHBondContact O-N 3.38Å
251G67.6Low79Confident3 Ų341.6 Ų41.63%0.03123%0.225CC..G310 helixtrans-59.9-34.8-177.700000113.1S111 E249 I253 K254 Q255S111-G251 PolarHBondContact OG-N 2.53Å; E249-G251 PolarHBondContact O-N 3.25Å; G251-I253 VanDerWaalsContact C-N 3.34Å; G251-I253 PolarHBondContact O-N 3.02Å; G251-K254 PolarHBondContact O-N 2.99Å; G251-K254 VanDerWaalsContact O-N 3.1Å; G251-Q255 PolarHBondContact O-N 3.24Å
252V73.4Confident78.4Confident10 Ų1045 Ų456%0.06124%0.244CC..G310 helixtrans-57.6-41.8-176.9169.40000113.4A194 S196 L205 E250 K254 Q255A194-V252 HydrophobicContact CB-CB 4.22Å; A194-V252 HydrophobicContact CB-CG1 4.04Å; A194-V252 HydrophobicContact CB-CG2 3.99Å; S196-V252 VanDerWaalsContact CB-CG2 3.46Å; L205-V252 HydrophobicContact CB-CG1 3.61Å; L205-V252 HydrophobicContact CD1-CG1 4.15Å; L205-V252 HydrophobicContact CD2-CG1 4.17Å; L205-V252 HydrophobicContact CG-CG1 4.21Å; E250-V252 PolarHBondContact O-N 3.29Å; V252-K254 PolarHBondContact O-N 3.48Å; V252-Q255 PolarHBondContact O-N 2.86Å
253I74Confident77.9Confident130 Ų13045.3 Ų45.367%0.66725%0.247SC*.G310 helixtrans-64.4-32.4-178-58.6174.3000110.3E250 G251 Q255E250-I253 PolarHBondContact O-N 3.38Å; G251-I253 VanDerWaalsContact C-N 3.34Å; G251-I253 PolarHBondContact O-N 3.02Å; I253-Q255 PolarHBondContact O-N 3.17Å
254K77.2Confident76.4Confident96 Ų9650.8 Ų50.842%0.41728%0.275SS..G310 helixtrans-84.4-5.6-175.6-65.3172-176.51630113.8G251 V252 C256 V258 Y259G251-K254 PolarHBondContact O-N 2.99Å; G251-K254 VanDerWaalsContact O-N 3.1Å; V252-K254 PolarHBondContact O-N 3.48Å; K254-C256 PolarHBondContact O-N 3.27Å; K254-V258 HydrophobicContact CB-CB 4.32Å; K254-V258 HydrophobicContact CB-CG2 4.04Å; K254-V258 HydrophobicContact CG-CG2 4.36Å; K254-V258 WeakPolarHBondContact O-CB 3.31Å; K254-V258 PolarHBondContact O-N 2.99Å; K254-Y259 HydrophobicContact CB-CD2 4.23Å; K254-Y259 HydrophobicContact CB-CE2 3.92Å; K254-Y259 WeakPolarHBondContact O-CD2 3.43Å; K254-Y259 PolarHBondContact O-N 2.93Å
255Q80.2Confident74.6Confident0 Ų055.6 Ų55.60%030%0.302CS..G310 helixtrans-56.4-36.9-178.617559.5-4.600112.4L113 A194 G251 V252 I253 S260L113-Q255 HydrophobicContact CD2-CB 3.95Å; L113-Q255 VanDerWaalsContact CD2-OE1 3.24Å; L113-Q255 HydrophobicContact CG-CB 4.1Å; L113-Q255 HydrophobicContact CG-CG 4.41Å; A194-Q255 HydrophobicContact CB-CB 3.78Å; A194-Q255 HydrophobicContact CB-CG 3.98Å; G251-Q255 PolarHBondContact O-N 3.24Å; V252-Q255 PolarHBondContact O-N 2.86Å; I253-Q255 PolarHBondContact O-N 3.17Å; Q255-S260 PolarHBondContact O-N 3.2Å
256C78.7Confident72.6Confident15 Ų1559.6 Ų59.610%0.10132%0.323CS..THydrogen-bonded Turntrans-95.3-27.1-173.4-69.50000114.9C208 K254 P261C208-C256 WeakPolarHBondContact CA-SG 3.06Å; C208-C256 HydrophobicContact CB-CB 3.76Å; C208-C256 WeakPolarHBondContact CB-SG 3.23Å; C208-C256 WeakPolarHBondContact SG-CB 3.43Å; C208-C256 CovalentContact SG-SG 2.02Å; C208-C256 PolarHBondContact SG-SG 2.64Å; K254-C256 PolarHBondContact O-N 3.27Å; C256-P261 VanDerWaalsContact O-CA 3.28Å; C256-P261 WeakPolarHBondContact O-CA 3.49Å
257D77.7Confident70.4Confident133 Ų13366 Ų6671%0.71135%0.353SS*.THydrogen-bonded Turntrans-92.8-24.9-178.5-55.3-29.3000112.4
258V78Confident68.1Low62 Ų6270.4 Ų70.438%0.37637%0.369SS..THydrogen-bonded Turntrans-118.7-46.1-171.1-175.20000112.7P41 K254P41-V258 HydrophobicContact CG-CG1 4.44Å; K254-V258 HydrophobicContact CB-CB 4.32Å; K254-V258 HydrophobicContact CB-CG2 4.04Å; K254-V258 HydrophobicContact CG-CG2 4.36Å; K254-V258 WeakPolarHBondContact O-CB 3.31Å; K254-V258 PolarHBondContact O-N 2.99Å
259Y78.8Confident65.9Low11 Ų1177 Ų774%0.04340%0.396CS..THydrogen-bonded Turntrans-93.8-45.9-168.1-65.5-65.9000113.6P41 T44 L113 Y244 L246 K254P41-Y259 WeakPolarHBondContact CD-OH 3.16Å; P41-Y259 HydrophobicContact CG-CE1 4.49Å; P41-Y259 WeakPolarHBondContact CG-OH 3.33Å; T44-Y259 HydrophobicContact CG2-CE1 3.8Å; T44-Y259 PolarHBondContact OG1-OH 3.16Å; T44-Y259 VanDerWaalsContact OG1-OH 3.1Å; L113-Y259 HydrophobicContact CD2-CD2 3.49Å; L113-Y259 VanDerWaalsContact CD2-CD2 3.49Å; L113-Y259 HydrophobicContact CD2-CE2 3.99Å; L113-Y259 HydrophobicContact CD2-CG 4.14Å; Y244-Y259 HydrophobicContact CD1-CD1 4.46Å; Y244-Y259 AromaticContact CD2-CD1 3.72Å; Y244-Y259 HydrophobicContact CD2-CD1 3.72Å; Y244-Y259 AromaticContact CD2-CG 3.96Å; Y244-Y259 HydrophobicContact CD2-CG 3.96Å; Y244-Y259 AromaticContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CD1 3.79Å; Y244-Y259 HydrophobicContact CE2-CG 4.16Å; Y244-Y259 HydrophobicContact CG-CD1 4.08Å; L246-Y259 HydrophobicContact CD1-CE2 4.44Å; L246-Y259 HydrophobicContact CD2-CE2 3.71Å; K254-Y259 HydrophobicContact CB-CD2 4.23Å; K254-Y259 HydrophobicContact CB-CE2 3.92Å; K254-Y259 WeakPolarHBondContact O-CD2 3.43Å; K254-Y259 PolarHBondContact O-N 2.93Å
260S81.2Confident63.8Low3 Ų377.7 Ų77.72%0.02142%0.418CS..SBendtrans-135.174.3178.5-150.10000111R65 T115 R192 D242 Q255R65-S260 PolarHBondContact NH2-O 3.32Å; R65-S260 PolarHBondContact NH2-OG 2.87Å; T115-S260 WeakPolarHBondContact OG1-CB 3.48Å; T115-S260 PolarHBondContact OG1-OG 2.85Å; T115-S260 VanDerWaalsContact OG1-OG 3.06Å; R192-S260 WeakPolarHBondContact CD-O 3.47Å; R192-S260 PolarHBondContact NH1-O 2.81Å; D242-S260 WeakPolarHBondContact OD2-CB 3.43Å; D242-S260 PolarHBondContact OD2-OG 3.13Å; Q255-S260 PolarHBondContact O-N 3.2Å
261P78.6Confident61.7Low60 Ų6078.9 Ų78.939%0.3943%0.43SS..PPolyproline II helixtrans-61.5167.3-179.826.2-34.8000113.8R65 R192 C256R65-P261 PolarHBondContact NH1-O 3.29Å; R65-P261 PolarHBondContact NH2-O 3.43Å; R192-P261 PolarHBondContact NH1-O 2.95Å; C256-P261 VanDerWaalsContact O-CA 3.28Å; C256-P261 WeakPolarHBondContact O-CA 3.49Å
262N77.3Confident60Low83 Ų8388 Ų8844%0.44447%0.471SS..PPolyproline II helixtrans-64.3152.9169.8-67.9-9.6000110.2R192 D266R192-N262 VanDerWaalsContact CZ-OD1 3.31Å; R192-N262 PolarHBondContact NH1-OD1 2.91Å; R192-N262 PolarHBondContact NH2-OD1 3.16Å; N262-D266 HydrophobicContact CB-CB 4.2Å
263C77.6Confident58Low18 Ų1891 Ų9112%0.12251%0.505CS..PPolyproline II helixtrans-72.6150.1177.5-54.40000109.1C66 D265 D266C66-C263 WeakPolarHBondContact CA-SG 3.42Å; C66-C263 HydrophobicContact CB-CB 3.84Å; C66-C263 WeakPolarHBondContact CB-SG 3.41Å; C66-C263 WeakPolarHBondContact SG-CA 3.46Å; C66-C263 WeakPolarHBondContact SG-CB 3.17Å; C66-C263 CovalentContact SG-SG 2.04Å; C66-C263 PolarHBondContact SG-SG 2.94Å; C263-D265 PolarHBondContact O-N 3.08Å; C263-D265 VanDerWaalsContact O-N 3.13Å; C263-D266 PolarHBondContact N-OD2 2.93Å; C263-D266 WeakPolarHBondContact O-CB 3.46Å; C263-D266 PolarHBondContact O-N 3.21Å
264L58.5Low55.9Low115 Ų11592.5 Ų92.560%0.60251%0.514SS*.G310 helixtrans-62-25-173.3-78160.6000113.4Q267L264-Q267 PolarHBondContact O-N 3.13Å
265D48.5Very low53.7Low115 Ų11597.1 Ų97.162%0.61553%0.534SS*.G310 helixtrans-72.2-24.2173.9-63.3-40.9000113.6C263 Q267 M268C263-D265 PolarHBondContact O-N 3.08Å; C263-D265 VanDerWaalsContact O-N 3.13Å; D265-Q267 PolarHBondContact O-N 2.96Å; D265-M268 PolarHBondContact O-N 3.42Å
266D43.4Very low51.4Low92 Ų92104.7 Ų104.749%0.49257%0.574SS.*G310 helixtrans-68.5-17173.4-64.6-42.1000111.7N262 C263N262-D266 HydrophobicContact CB-CB 4.2Å; C263-D266 PolarHBondContact N-OD2 2.93Å; C263-D266 WeakPolarHBondContact O-CB 3.46Å; C263-D266 PolarHBondContact O-N 3.21Å
267Q34.5Very low49.2Very low146 Ų146110.6 Ų110.668%0.68261%0.61SS**G310 helixtrans-89-4.4179-66.1-172.3-18.900113.6L264 D265L264-Q267 PolarHBondContact O-N 3.13Å; D265-Q267 PolarHBondContact O-N 2.96Å
268M29.4Very low47.2Very low164 Ų164111.4 Ų111.481%0.80862%0.615SS**SBendtrans-99.1-2.4174-73.5-72.1-7300113.3D265D265-M268 PolarHBondContact O-N 3.42Å
269M27.4Very low45.3Very low162 Ų162113 Ų11380%0.79863%0.626SS**SBendtrans-113.9100.6171.5-67-68.9-89.700108.7
270G26.9Very low43Very low73 Ų73119.8 Ų119.875%0.75366%0.66SS**  trans-66.9131.2-174.600000113.8E272G270-E272 PolarHBondContact O-N 2.65Å
271D26.4Very low40.5Very low166 Ų166129 Ų12989%0.88870%0.703SS**  trans9.891.1138-156.316.9000117.2
272E33.3Very low38.3Very low194 Ų194128.4 Ų128.491%0.90771%0.707SS**  trans-137.5116.9151.2-84-154.613700112G270G270-E272 PolarHBondContact O-N 2.65Å
273G30.5Very low36.1Very low74 Ų74130.1 Ų130.176%0.76372%0.723SS**  83.690.1121.400000119
274D30.6Very low34Very low160 Ų160134 Ų13486%0.85676%0.756SS**  trans-64.5127.9158.5-177.833.4000112.1
275K30.6Very low33Very low194 Ų194131.7 Ų131.784%0.84376%0.761SS**  trans-174.7147.4149.6-106.6156.4-168.7173.90114.8
276D31.3Very low32.5Very low159 Ų159131.7 Ų131.785%0.8577%0.77SS**  trans-56.1129.1174.5-69.6-63.4000114.1
277T32.8Very low32.4Very low138 Ų138134.9 Ų134.985%0.84778%0.783SS**  trans-165.3127.8136.415.20000111.9
278D36.2Very low32.7Very low151 Ų151130.8 Ų130.881%0.80778%0.78SS**  trans-56.7139.7145.1-150.516.4000106.5
279P37.4Very low33.2Very low95 Ų95130.6 Ų130.662%0.61778%0.783SS**  -157.3-155.65042-17.5000115.8
280M29.8Very low34Very low154 Ų154129.3 Ų129.376%0.75978%0.778SS**  trans70.297.3153.1-72.8177.173.100118.1G282M280-G282 VanDerWaalsContact C-N 3.3Å; M280-G282 PolarHBondContact O-N 2.88Å
281Q29.6Very low35Very low197 Ų197128.3 Ų128.392%0.92177%0.767SS**  trans-42.397.8132.3-171.4171.937.700109.7
282G31.6Very low36.1Very low46 Ų46126 Ų12647%0.47476%0.761SS.*PPolyproline II helixtrans-58.2152.2174.800000110.7M280 A284M280-G282 VanDerWaalsContact C-N 3.3Å; M280-G282 PolarHBondContact O-N 2.88Å; G282-A284 PolarHBondContact O-N 2.99Å
283P32Very low36.9Very low119 Ų119122.4 Ų122.477%0.77375%0.754SS**PPolyproline II helixtrans-56.2138.8176.726.5-34000108.6G285P283-G285 PolarHBondContact O-N 3.26Å
284A34Very low38Very low99 Ų99122.2 Ų122.282%0.81875%0.752SS**PPolyproline II helixtrans-51.2117.2170.700000107.7G282 S286G282-A284 PolarHBondContact O-N 2.99Å; A284-S286 PolarHBondContact O-N 3.22Å
285G36.4Very low38.9Very low68 Ų68122.2 Ų122.270%0.70175%0.753SS**PPolyproline II helixtrans-51.5130.517000000107.1P283 M287P283-G285 PolarHBondContact O-N 3.26Å; G285-M287 PolarHBondContact O-N 3.19Å
286S38.2Very low39.5Very low115 Ų115122.9 Ų122.980%0.80476%0.756SS**  trans-43.8119177.549.60000108.2A284 G288A284-S286 PolarHBondContact O-N 3.22Å; S286-G288 PolarHBondContact O-N 3Å
287M41.6Very low40.3Very low159 Ų159118.3 Ų118.378%0.78375%0.745SS**  trans-52108.6172.7-171.9177.6-146.700105.1G285 D289G285-M287 PolarHBondContact O-N 3.19Å; M287-D289 PolarHBondContact O-N 2.92Å
288G41.1Very low40.9Very low60 Ų60120.1 Ų120.162%0.61974%0.744SS**  trans-54.4133.9-18000000106.7S286 I290S286-G288 PolarHBondContact O-N 3Å; G288-I290 PolarHBondContact O-N 2.86Å
289D40.2Very low41.5Very low160 Ų160119 Ų11986%0.85675%0.745SS**  trans-43.3122.9-176-72.1-49.6000108.4M287 G291M287-D289 PolarHBondContact O-N 2.92Å; D289-G291 PolarHBondContact O-N 3Å
290I44.1Very low41.8Very low135 Ų135117.5 Ų117.569%0.69275%0.748SS**  trans-54.3110.2175.7-67.6173.3000104.7G288G288-I290 PolarHBondContact O-N 2.86Å
291G47.4Very low42.3Very low51 Ų51118.3 Ų118.353%0.52675%0.754SS.*PPolyproline II helixtrans-50136.8-178.100000108D289D289-G291 PolarHBondContact O-N 3Å
292P48.8Very low42.4Very low118 Ų118117.2 Ų117.277%0.76676%0.755SS**PPolyproline II helixtrans-48131.4-174.120.1-32.8000108.4G294P292-G294 PolarHBondContact O-N 2.73Å
293P51.6Low42.7Very low118 Ų118118.6 Ų118.677%0.76677%0.768SS**PPolyproline II helixtrans-46.3116-175.4-29.734.4000109D295P293-D295 PolarHBondContact O-N 3.04Å
294G52.5Low42.9Very low70 Ų70118.1 Ų118.172%0.72277%0.768SS**PPolyproline II helixtrans-51.5132.8-170.400000109.5P292 K296P292-G294 PolarHBondContact O-N 2.73Å; G294-K296 PolarHBondContact O-N 3.04Å; G294-K296 VanDerWaalsContact O-N 3.17Å
295D48.9Very low42.9Very low161 Ų161118.4 Ų118.486%0.86176%0.764SS**  trans-44.3126.9-172.9-75-47.4000109.6P293 G297P293-D295 PolarHBondContact O-N 3.04Å; D295-G297 PolarHBondContact O-N 3.3Å
296K44.4Very low42.9Very low208 Ų208122.8 Ų122.890%0.90478%0.777SS**  trans-57.9104.2-175.9-172.4-179-173.8-1800107.4G294 E298G294-K296 PolarHBondContact O-N 3.04Å; G294-K296 VanDerWaalsContact O-N 3.17Å; K296-E298 PolarHBondContact O-N 2.04Å
297G46.8Very low42.7Very low62 Ų62121.7 Ų121.764%0.63978%0.775SS**  trans-48.9137-171.500000110.6D295D295-G297 PolarHBondContact O-N 3.3Å
298E47.2Very low42.4Very low176 Ų176119 Ų11982%0.82278%0.777SS**  trans-47.3131.6-175.6-67.6-170.3147.100110K296 G300K296-E298 PolarHBondContact O-N 2.04Å; E298-G300 PolarHBondContact O-N 2.92Å
299P47Very low42.1Very low127 Ų127119.8 Ų119.883%0.82579%0.786SS**  trans-53.8113.3172.2-23.933.6000108.4L301P299-L301 PolarHBondContact O-N 2.94Å
300G43.7Very low41.7Very low65 Ų65121 Ų12167%0.6779%0.786SS**  trans-51.4125.3-171.700000111E298 N302E298-G300 PolarHBondContact O-N 2.92Å; G300-N302 PolarHBondContact O-N 2.64Å; G300-N302 VanDerWaalsContact O-N 3.15Å
301L42.3Very low41.5Very low170 Ų170120.5 Ų120.589%0.8979%0.792SS**  trans-51.5121177.7-79.9159.1000109.7P299 G303P299-L301 PolarHBondContact O-N 2.94Å; L301-G303 PolarHBondContact O-N 3.05Å
302N30.7Very low40.8Very low175 Ų175121.1 Ų121.194%0.93680%0.799SS**  trans-68.983.2172.4-84.4-25.8000109.7G300G300-N302 PolarHBondContact O-N 2.64Å; G300-N302 VanDerWaalsContact O-N 3.15Å
303G38.2Very low40.2Very low74 Ų74121.2 Ų121.276%0.76380%0.799SS**  trans-91.6109.8173.200000111.3L301L301-G303 PolarHBondContact O-N 3.05Å
304S36.7Very low39.7Very low109 Ų109120.6 Ų120.676%0.76280%0.795SS**  trans-75.6122.3174.451.40000112.5
305S33.6Very low38.8Very low106 Ų106120.1 Ų120.174%0.74179%0.79SS**  trans48.9105.9146.762.10000120.7
306V35.7Very low38.3Very low160 Ų160119 Ų11997%0.9779%0.792SS**  -143.5156.2126-1680000107.9
307A34.9Very low37.8Very low91 Ų91117.8 Ų117.875%0.75279%0.792SS**  trans-101.5142.1-158.300000117.7
308A34.4Very low37.2Very low102 Ų102118.9 Ų118.984%0.84380%0.802SS**  trans48.3136.6137.400000123.7
309G34.5Very low37.2Very low77 Ų77113 Ų11379%0.79478%0.781SS**  trans-119.6147.4142.700000109.9
310E32.7Very low36.9Very low185 Ų185114 Ų11486%0.86478%0.779SS**PPolyproline II helixtrans-89.2150.6-169-63.1-172.313500115.1
311P38.8Very low37Very low125 Ų125114 Ų11481%0.81276%0.761SS**PPolyproline II helixtrans-93.4139.4155.27.212.4000112
312G34.7Very low37.4Very low65 Ų65111.9 Ų111.967%0.6775%0.749SS**PPolyproline II helixtrans-68.7161.8173.200000114P314G312-P314 WeakPolarHBondContact O-CD 3.11Å
313P34.7Very low38.3Very low120 Ų120107 Ų10778%0.77972%0.721SS**PPolyproline II helixtrans-84127-165.131.6-34.8000114.3
314P41.6Very low38.6Very low104 Ų104106 Ų10668%0.67570%0.702SS**PPolyproline II helixtrans-78.9149.9160.9-8.326.9000111.2G312G312-P314 WeakPolarHBondContact O-CD 3.11Å
315G32.4Very low38.8Very low60 Ų60104.8 Ų104.862%0.61969%0.686SS**PPolyproline II helixtrans-68.1163.4177.600000114.1M317G315-M317 PolarHBondContact O-N 3.46Å
316P38.7Very low39.4Very low138 Ų138102.1 Ų102.190%0.89666%0.664SS**PPolyproline II helixtrans-74.7116.4-174.130-34.1000112.1
317M35.6Very low39.9Very low183 Ų18397.8 Ų97.890%0.90164%0.635SS**PPolyproline II helixtrans-92.9128.6159.1-65.6-156.8-64.200109.4G315 S319G315-M317 PolarHBondContact O-N 3.46Å; M317-S319 PolarHBondContact O-N 3.03Å
318G33.1Very low40.2Very low84 Ų8496 Ų9687%0.86663%0.625SS**PPolyproline II helixtrans-72.8119.4176.500000111.3
319S48.2Very low40.1Very low54 Ų5496.5 Ų96.538%0.37862%0.618SS.*  trans-87.6109.9176.959.40000111.5M317M317-S319 PolarHBondContact O-N 3.03Å
320L40.3Very low40.2Very low148 Ų14895.1 Ų95.178%0.77560%0.604SS**  trans-78.8123168.1-174.970000109.5I322L320-I322 HydrophobicContact CD2-CD1 3.97Å; L320-I322 HydrophobicContact CD2-CG1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.17Å
321F45.9Very low40.2Very low65 Ų6592.5 Ų92.529%0.28561%0.606SS.*  trans-88.6116.6173.4-166.5-139.8000110.3I323 L343 L344 H347F321-I323 HydrophobicContact CD1-CD1 4.2Å; F321-I323 HydrophobicContact CD1-CG1 3.86Å; F321-I323 HydrophobicContact CE1-CD1 3.74Å; F321-I323 HydrophobicContact CE1-CG1 3.43Å; F321-I323 VanDerWaalsContact CE1-CG1 3.43Å; F321-I323 HydrophobicContact CZ-CD1 4.49Å; F321-I323 HydrophobicContact CZ-CG1 3.83Å; F321-L343 HydrophobicContact CE2-CD2 4.24Å; F321-L343 HydrophobicContact CE2-CG 4.34Å; F321-L343 HydrophobicContact CZ-CD2 4.46Å; F321-L344 HydrophobicContact CE1-CD1 3.91Å; F321-L344 HydrophobicContact CZ-CD1 4.04Å; F321-H347 WeakPolarHBondContact CB-NE2 3.39Å; F321-H347 AromaticContact CD1-CD2 3.93Å; F321-H347 HydrophobicContact CD2-CB 3.63Å; F321-H347 AromaticContact CD2-CD2 3.57Å; F321-H347 AromaticContact CD2-CE1 3.97Å; F321-H347 AromaticContact CD2-CG 3.21Å; F321-H347 AromaticContact CD2-ND1 3.49Å; F321-H347 WeakPolarHBondContact CD2-ND1 2.96Å; F321-H347 HydrophobicContact CE2-CB 3.42Å; F321-H347 VanDerWaalsContact CE2-CB 3.42Å; F321-H347 AromaticContact CE2-CG 3.58Å; F321-H347 HydrophobicContact CG-CB 4.43Å; F321-H347 AromaticContact CG-CD2 3.5Å; F321-H347 AromaticContact CG-CE1 3.99Å; F321-H347 AromaticContact CG-CG 3.68Å; F321-H347 AromaticContact CG-ND1 3.97Å; F321-H347 AromaticContact CG-NE2 3.73Å; F321-H347 HydrophobicContact CZ-CB 4.06Å
322I49.2Very low40.6Very low125 Ų12589.5 Ų89.564%0.64159%0.588SS**  trans-112117171.4-59.2179.1000107.6L320 P324L320-I322 HydrophobicContact CD2-CD1 3.97Å; L320-I322 HydrophobicContact CD2-CG1 4.1Å; L320-I322 HydrophobicContact CG-CG1 4.17Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å
323I49.8Very low41.2Very low71 Ų7190.9 Ų90.936%0.36459%0.587SS.*  trans-87.4115.7174.5-59.6168.7000107.9F321 L325 F340F321-I323 HydrophobicContact CD1-CD1 4.2Å; F321-I323 HydrophobicContact CD1-CG1 3.86Å; F321-I323 HydrophobicContact CE1-CD1 3.74Å; F321-I323 HydrophobicContact CE1-CG1 3.43Å; F321-I323 VanDerWaalsContact CE1-CG1 3.43Å; F321-I323 HydrophobicContact CZ-CD1 4.49Å; F321-I323 HydrophobicContact CZ-CG1 3.83Å; I323-L325 HydrophobicContact CG2-CD2 4.3Å; I323-L325 PolarHBondContact O-N 3.41Å; I323-F340 HydrophobicContact CD1-CE2 4.26Å; I323-F340 HydrophobicContact CG2-CD2 4.42Å; I323-F340 HydrophobicContact CG2-CE2 4.02Å
324P44.3Very low41.9Very low53 Ų5393.6 Ų93.634%0.34459%0.587SS.*  trans-76.8114.7175.629.9-32.4000110.6Y58 I322 N326 L343Y58-P324 HydrophobicContact CE1-CB 4.22Å; I322-P324 WeakPolarHBondContact O-CD 3.36Å; P324-N326 PolarHBondContact O-N 3.15Å; P324-L343 HydrophobicContact CG-CD2 4.32Å
325L42.4Very low42.4Very low84 Ų8491 Ų9144%0.4457%0.574SS.*SBendtrans-84.2-3.5-170.5-66.2160000115.7Y58 I323 R1448 L1474Y58-L325 WeakPolarHBondContact OH-CB 3.27Å; Y58-L325 PolarHBondContact OH-N 3.23Å; I323-L325 HydrophobicContact CG2-CD2 4.3Å; I323-L325 PolarHBondContact O-N 3.41Å; L325-R1448 PolarHBondContact O-NH2 3.19Å; L325-L1474 HydrophobicContact CB-CD1 3.63Å; L325-L1474 HydrophobicContact CD1-CB 4.04Å; L325-L1474 HydrophobicContact CD1-CD1 3.95Å; L325-L1474 HydrophobicContact CD1-CG 4.48Å; L325-L1474 HydrophobicContact CD2-CD1 4.32Å; L325-L1474 HydrophobicContact CG-CD1 4.16Å
326N46Very low43.5Very low50 Ų5093.3 Ų93.327%0.26756%0.564SS.*  trans-109.274164.1-68.4-31.7000111.3Y58 P324 G328 R1448Y58-N326 HydrophobicContact CD1-CB 3.56Å; Y58-N326 HydrophobicContact CD2-CB 4.07Å; Y58-N326 WeakPolarHBondContact CD2-ND2 3.24Å; Y58-N326 HydrophobicContact CE1-CB 3.48Å; Y58-N326 VanDerWaalsContact CE1-CB 3.48Å; Y58-N326 HydrophobicContact CE2-CB 3.98Å; Y58-N326 WeakPolarHBondContact CE2-ND2 3.41Å; Y58-N326 HydrophobicContact CG-CB 3.86Å; Y58-N326 PolarHBondContact OH-N 2.81Å; P324-N326 PolarHBondContact O-N 3.15Å; N326-G328 PolarHBondContact O-N 3.5Å; N326-R1448 PolarHBondContact OD1-NH2 3.05Å
327L45Very low44.5Very low69 Ų6988.9 Ų88.936%0.36154%0.539SS..  trans-68.9109.4150.2-80156.3000107.5R336L327-R336 HydrophobicContact CB-CG 4.15Å; L327-R336 PolarHBondContact O-NE 3.13Å; L327-R336 PolarHBondContact O-NH2 3.16Å
328G42.8Very low45.7Very low54 Ų5483 Ų8356%0.55752%0.519SS*.  trans-50.2166.4-154.900000118.4N326 G330 R336N326-G328 PolarHBondContact O-N 3.5Å; G328-G330 PolarHBondContact O-N 2.88Å; G328-R336 PolarHBondContact O-NH2 2.83Å
329V32.5Very low47.2Very low113 Ų11381.9 Ų81.969%0.68550%0.496SS*.SBendtrans-69.988.4-178.6-174.60000110.1L1559V329-L1559 HydrophobicContact CG1-CD2 4.2Å; V329-L1559 HydrophobicContact CG2-CD1 4.19Å; V329-L1559 HydrophobicContact CG2-CD2 4.09Å
330G36.4Very low48.1Very low48 Ų4883.3 Ų83.350%0.49550%0.496SS..  trans-149.4138.7178.200000110.5G328 S332G328-G330 PolarHBondContact O-N 2.88Å; G330-S332 PolarHBondContact O-N 2.96Å
331S32.5Very low49.3Very low130 Ų13084.9 Ų84.991%0.90949%0.491SS*.SBendtrans-82.279.9-165.352.50000114
332S45.7Very low50.4Low62 Ų6285.2 Ų85.243%0.43450%0.496SS..  trans-164.2131.2144.557.30000112.1G330 F334 A335G330-S332 PolarHBondContact O-N 2.96Å; S332-F334 VanDerWaalsContact C-N 3.25Å; S332-F334 PolarHBondContact O-N 2.99Å; S332-A335 PolarHBondContact O-N 2.71Å; S332-A335 VanDerWaalsContact OG-CB 3.24Å; S332-A335 WeakPolarHBondContact OG-CB 3.43Å
333S47.2Very low51.4Low94 Ų9482.4 Ų82.466%0.65748%0.482SS*.Hα-helixtrans-63.5-32173.6450000112.3R336 A337S333-R336 PolarHBondContact O-N 3.36Å; S333-A337 PolarHBondContact O-N 3.47Å
334F50.8Low52.3Low176 Ų17682 Ų8277%0.77248%0.48SS*.Hα-helixtrans-64.2-39.7176.7-91.5-92.6000113.6S332 R336 A337 A338S332-F334 VanDerWaalsContact C-N 3.25Å; S332-F334 PolarHBondContact O-N 2.99Å; F334-R336 PolarHBondContact O-N 2.87Å; F334-A337 PolarHBondContact O-N 3.2Å; F334-A338 VanDerWaalsContact O-CB 3.3Å; F334-A338 WeakPolarHBondContact O-CB 3.5Å; F334-A338 PolarHBondContact O-N 2.93Å
335A52.4Low53.4Low50 Ų5085.3 Ų85.341%0.41349%0.491SS..Hα-helixtrans-66.1-37.9178.900000112.2S332 A338 T339S332-A335 PolarHBondContact O-N 2.71Å; S332-A335 VanDerWaalsContact OG-CB 3.24Å; S332-A335 WeakPolarHBondContact OG-CB 3.43Å; A335-A338 PolarHBondContact O-N 3.18Å; A335-T339 PolarHBondContact O-N 3.2Å; A335-T339 PolarHBondContact O-OG1 3.34Å
336R55.1Low54.5Low109 Ų10987 Ų8741%0.41150%0.495SS..Hα-helixtrans-68.4-41.4174.5-68.2-174.3178.8145.30.8112.3L327 G328 S333 F334 T339 F340L327-R336 HydrophobicContact CB-CG 4.15Å; L327-R336 PolarHBondContact O-NE 3.13Å; L327-R336 PolarHBondContact O-NH2 3.16Å; G328-R336 PolarHBondContact O-NH2 2.83Å; S333-R336 PolarHBondContact O-N 3.36Å; F334-R336 PolarHBondContact O-N 2.87Å; R336-T339 WeakPolarHBondContact CA-OG1 3.41Å; R336-T339 PolarHBondContact O-OG1 3.36Å; R336-F340 WeakPolarHBondContact O-CB 3.17Å; R336-F340 PolarHBondContact O-N 3.07Å
337A59.3Low55.3Low44 Ų4486 Ų8636%0.36449%0.488SS..Hα-helixtrans-66.9-35.1175.500000112.7S333 F334 R341S333-A337 PolarHBondContact O-N 3.47Å; F334-A337 PolarHBondContact O-N 3.2Å; A337-R341 VanDerWaalsContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 WeakPolarHBondContact O-CG 3.45Å; A337-R341 PolarHBondContact O-N 3.38Å
338A61.3Low56.2Low59 Ų5987.7 Ų87.749%0.48850%0.497SS..Hα-helixtrans-70.8-45.5175.900000112.2F334 A335 R341 D342F334-A338 VanDerWaalsContact O-CB 3.3Å; F334-A338 WeakPolarHBondContact O-CB 3.5Å; F334-A338 PolarHBondContact O-N 2.93Å; A335-A338 PolarHBondContact O-N 3.18Å; A338-R341 PolarHBondContact O-N 3.22Å; A338-D342 WeakPolarHBondContact O-CB 3.38Å; A338-D342 PolarHBondContact O-N 3.37Å
339T64.9Low57Low62 Ų6290.4 Ų90.438%0.3850%0.499SS..Hα-helixtrans-67.8-36.9175.742.80000112.6A335 R336 D342 L343A335-T339 PolarHBondContact O-N 3.2Å; A335-T339 PolarHBondContact O-OG1 3.34Å; R336-T339 WeakPolarHBondContact CA-OG1 3.41Å; R336-T339 PolarHBondContact O-OG1 3.36Å; T339-D342 PolarHBondContact O-N 2.92Å; T339-L343 WeakPolarHBondContact O-CB 3.37Å; T339-L343 PolarHBondContact O-N 2.79Å
340F66.3Low58.4Low84 Ų8488.5 Ų88.537%0.36849%0.49SS..Hα-helixtrans-64.6-43.3171-177-102.5000111.8I323 R336 L343 L344I323-F340 HydrophobicContact CD1-CE2 4.26Å; I323-F340 HydrophobicContact CG2-CD2 4.42Å; I323-F340 HydrophobicContact CG2-CE2 4.02Å; R336-F340 WeakPolarHBondContact O-CB 3.17Å; R336-F340 PolarHBondContact O-N 3.07Å; F340-L343 PolarHBondContact O-N 3.37Å; F340-L344 HydrophobicContact CE1-CD2 4.46Å; F340-L344 HydrophobicContact CZ-CD1 4.31Å; F340-L344 WeakPolarHBondContact O-CB 3.29Å; F340-L344 PolarHBondContact O-N 3.07Å
341R66.5Low59Low181 Ų18191 Ų9168%0.68349%0.492SS*.Hα-helixtrans-62-42173.6-85.4-175.3168.7126-0.5112.6A337 A338 L344 Q345A337-R341 VanDerWaalsContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 WeakPolarHBondContact O-CG 3.45Å; A337-R341 PolarHBondContact O-N 3.38Å; A338-R341 PolarHBondContact O-N 3.22Å; R341-L344 PolarHBondContact O-N 3.34Å; R341-Q345 WeakPolarHBondContact O-CB 3.48Å; R341-Q345 PolarHBondContact O-N 3.46Å
342D69Low59.9Low72 Ų7292.8 Ų92.839%0.38548%0.483SS..Hα-helixtrans-65.2-42.7176.9178.255.7000111.8A338 T339 Q345 K346A338-D342 WeakPolarHBondContact O-CB 3.38Å; A338-D342 PolarHBondContact O-N 3.37Å; T339-D342 PolarHBondContact O-N 2.92Å; D342-Q345 PolarHBondContact O-N 2.81Å; D342-K346 VanDerWaalsContact CG-NZ 3.28Å; D342-K346 VanDerWaalsContact O-CB 3.32Å; D342-K346 WeakPolarHBondContact O-CB 3.09Å; D342-K346 VanDerWaalsContact O-CG 3.28Å; D342-K346 WeakPolarHBondContact O-CG 3.23Å; D342-K346 PolarHBondContact O-N 3.01Å; D342-K346 WeakPolarHBondContact OD1-CE 3.46Å; D342-K346 IonicContact OD1-NZ 3.66Å; D342-K346 PolarHBondContact OD1-NZ 2.98Å; D342-K346 VanDerWaalsContact OD1-NZ 3.12Å; D342-K346 WeakPolarHBondContact OD2-CE 3.2Å; D342-K346 IonicContact OD2-NZ 3.7Å; D342-K346 PolarHBondContact OD2-NZ 3.16Å
343L69.2Low60Low65 Ų6592.7 Ų92.734%0.3449%0.492SS..Hα-helixtrans-65.2-44.3175.4-159.282.2000111.8F321 P324 T339 F340 K346 H347F321-L343 HydrophobicContact CE2-CD2 4.24Å; F321-L343 HydrophobicContact CE2-CG 4.34Å; F321-L343 HydrophobicContact CZ-CD2 4.46Å; P324-L343 HydrophobicContact CG-CD2 4.32Å; T339-L343 WeakPolarHBondContact O-CB 3.37Å; T339-L343 PolarHBondContact O-N 2.79Å; F340-L343 PolarHBondContact O-N 3.37Å; L343-K346 PolarHBondContact O-N 2.98Å; L343-H347 WeakPolarHBondContact O-CB 3.29Å; L343-H347 PolarHBondContact O-N 3.25Å
344L68.4Low59.8Low62 Ų6293.9 Ų93.933%0.32550%0.495SS..Hα-helixtrans-65.7-39.5176.6-164.281.9000111.2F321 F340 R341 H347 L348F321-L344 HydrophobicContact CE1-CD1 3.91Å; F321-L344 HydrophobicContact CZ-CD1 4.04Å; F340-L344 HydrophobicContact CE1-CD2 4.46Å; F340-L344 HydrophobicContact CZ-CD1 4.31Å; F340-L344 WeakPolarHBondContact O-CB 3.29Å; F340-L344 PolarHBondContact O-N 3.07Å; R341-L344 PolarHBondContact O-N 3.34Å; L344-H347 PolarHBondContact O-N 2.73Å; L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-L348 HydrophobicContact CG-CD1 4.1Å; L344-L348 VanDerWaalsContact O-CB 3.3Å; L344-L348 WeakPolarHBondContact O-CB 3.22Å; L344-L348 WeakPolarHBondContact O-CD1 3.3Å; L344-L348 VanDerWaalsContact O-CG 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.4Å; L344-L348 PolarHBondContact O-N 3.11Å
345Q68.4Low59.3Low124 Ų12497.4 Ų97.458%0.57950%0.503SS*.Hα-helixtrans-69.2-41.9177.6-176.5170.4-14.500111.3R341 D342 H347 L348 L349R341-Q345 WeakPolarHBondContact O-CB 3.48Å; R341-Q345 PolarHBondContact O-N 3.46Å; D342-Q345 PolarHBondContact O-N 2.81Å; Q345-H347 VanDerWaalsContact C-N 3.32Å; Q345-H347 PolarHBondContact O-N 2.75Å; Q345-L348 PolarHBondContact O-N 3.4Å; Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.44Å; Q345-L349 WeakPolarHBondContact O-CD1 3.22Å; Q345-L349 WeakPolarHBondContact O-CG 3.33Å; Q345-L349 PolarHBondContact O-N 2.61Å
346K64.8Low58.7Low120 Ų12098.1 Ų98.152%0.52252%0.515SS..Hα-helixtrans-62.2-37.9171.3-76.2166.71781640112D342 L343 L349 S350D342-K346 VanDerWaalsContact CG-NZ 3.28Å; D342-K346 VanDerWaalsContact O-CB 3.32Å; D342-K346 WeakPolarHBondContact O-CB 3.09Å; D342-K346 VanDerWaalsContact O-CG 3.28Å; D342-K346 WeakPolarHBondContact O-CG 3.23Å; D342-K346 PolarHBondContact O-N 3.01Å; D342-K346 WeakPolarHBondContact OD1-CE 3.46Å; D342-K346 IonicContact OD1-NZ 3.66Å; D342-K346 PolarHBondContact OD1-NZ 2.98Å; D342-K346 VanDerWaalsContact OD1-NZ 3.12Å; D342-K346 WeakPolarHBondContact OD2-CE 3.2Å; D342-K346 IonicContact OD2-NZ 3.7Å; D342-K346 PolarHBondContact OD2-NZ 3.16Å; L343-K346 PolarHBondContact O-N 2.98Å; K346-L349 PolarHBondContact O-N 2.93Å; K346-S350 PolarHBondContact O-N 2.83Å
347H61.8Low57.7Low28 Ų2897.9 Ų97.913%0.1354%0.536CS..Hα-helixtrans-73.5-39.5175.5-170.663.9000113.2F321 L343 L344 Q345 L349 S350 L351F321-H347 WeakPolarHBondContact CB-NE2 3.39Å; F321-H347 AromaticContact CD1-CD2 3.93Å; F321-H347 HydrophobicContact CD2-CB 3.63Å; F321-H347 AromaticContact CD2-CD2 3.57Å; F321-H347 AromaticContact CD2-CE1 3.97Å; F321-H347 AromaticContact CD2-CG 3.21Å; F321-H347 AromaticContact CD2-ND1 3.49Å; F321-H347 WeakPolarHBondContact CD2-ND1 2.96Å; F321-H347 HydrophobicContact CE2-CB 3.42Å; F321-H347 VanDerWaalsContact CE2-CB 3.42Å; F321-H347 AromaticContact CE2-CG 3.58Å; F321-H347 HydrophobicContact CG-CB 4.43Å; F321-H347 AromaticContact CG-CD2 3.5Å; F321-H347 AromaticContact CG-CE1 3.99Å; F321-H347 AromaticContact CG-CG 3.68Å; F321-H347 AromaticContact CG-ND1 3.97Å; F321-H347 AromaticContact CG-NE2 3.73Å; F321-H347 HydrophobicContact CZ-CB 4.06Å; L343-H347 WeakPolarHBondContact O-CB 3.29Å; L343-H347 PolarHBondContact O-N 3.25Å; L344-H347 PolarHBondContact O-N 2.73Å; Q345-H347 VanDerWaalsContact C-N 3.32Å; Q345-H347 PolarHBondContact O-N 2.75Å; H347-L349 VanDerWaalsContact C-N 3.25Å; H347-L349 PolarHBondContact O-N 3.19Å; H347-S350 CarbonylContact O-C 3.47Å; H347-S350 WeakPolarHBondContact O-CA 3.37Å; H347-S350 VanDerWaalsContact O-CB 3.32Å; H347-S350 WeakPolarHBondContact O-CB 3.3Å; H347-S350 PolarHBondContact O-N 2.7Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.34Å; H347-L351 WeakPolarHBondContact NE2-CG 3.43Å; H347-L351 PolarHBondContact O-N 3.05Å
348L64.2Low56.9Low104 Ų104107.4 Ų107.455%0.54556%0.563SS.*Hα-helixtrans-63.6-31.2171.6-75.9165.2000112.2L344 Q345 K352L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-L348 HydrophobicContact CG-CD1 4.1Å; L344-L348 VanDerWaalsContact O-CB 3.3Å; L344-L348 WeakPolarHBondContact O-CB 3.22Å; L344-L348 WeakPolarHBondContact O-CD1 3.3Å; L344-L348 VanDerWaalsContact O-CG 3.23Å; L344-L348 WeakPolarHBondContact O-CG 3.4Å; L344-L348 PolarHBondContact O-N 3.11Å; Q345-L348 PolarHBondContact O-N 3.4Å; L348-K352 PolarHBondContact O-N 3.04Å
349L59.7Low55.8Low112 Ų112108 Ų10859%0.58657%0.574SS**Hα-helixtrans-68.5-35.7168.5-73.7163.2000111.8Q345 K346 H347 K352Q345-L349 HydrophobicContact CG-CD1 4.29Å; Q345-L349 WeakPolarHBondContact O-CB 3.44Å; Q345-L349 WeakPolarHBondContact O-CD1 3.22Å; Q345-L349 WeakPolarHBondContact O-CG 3.33Å; Q345-L349 PolarHBondContact O-N 2.61Å; K346-L349 PolarHBondContact O-N 2.93Å; H347-L349 VanDerWaalsContact C-N 3.25Å; H347-L349 PolarHBondContact O-N 3.19Å; L349-K352 PolarHBondContact O-N 2.94Å
350S62.5Low54.2Low73 Ų73113.7 Ų113.751%0.5160%0.599SS.*Hα-helixtrans-71.9-30173.6-172.30000113.9K346 H347 K352K346-S350 PolarHBondContact O-N 2.83Å; H347-S350 CarbonylContact O-C 3.47Å; H347-S350 WeakPolarHBondContact O-CA 3.37Å; H347-S350 VanDerWaalsContact O-CB 3.32Å; H347-S350 WeakPolarHBondContact O-CB 3.3Å; H347-S350 PolarHBondContact O-N 2.7Å; S350-K352 VanDerWaalsContact C-N 3.31Å
351L49.1Very low52.8Low101 Ų101116.5 Ų116.553%0.52962%0.623SS.*Hα-helixtrans-79.9-14.3175.3-72.3174.4000112.8H347 G353H347-L351 WeakPolarHBondContact NE2-CD1 3.34Å; H347-L351 WeakPolarHBondContact NE2-CG 3.43Å; H347-L351 PolarHBondContact O-N 3.05Å; L351-G353 PolarHBondContact O-N 2.86Å
352K51.7Low51.3Low167 Ų167111.1 Ų111.173%0.72662%0.624SS**SBendtrans-78.776176.4-162.9173.6-172.3176.10109.7L348 L349 S350L348-K352 PolarHBondContact O-N 3.04Å; L349-K352 PolarHBondContact O-N 2.94Å; S350-K352 VanDerWaalsContact C-N 3.31Å
353G47.8Very low50.1Low59 Ų59116 Ų11661%0.60865%0.649SS**  trans-50149.1178.200000112.6L351 R355L351-G353 PolarHBondContact O-N 2.86Å; G353-R355 PolarHBondContact O-N 3.31Å
354V41.8Very low48.8Very low119 Ų119119.6 Ų119.672%0.72167%0.673SS**  trans-47.1126.9177.1-89.70000110.6G356V354-G356 PolarHBondContact O-N 3.49Å
355R41.6Very low47.8Very low250 Ų250119.4 Ų119.494%0.94369%0.686SS**  trans-63112.8-174.5-161.8-179.4-160.9173.34.5108.4G353 A357G353-R355 PolarHBondContact O-N 3.31Å; R355-A357 PolarHBondContact O-N 3.13Å
356G40.2Very low46.7Very low65 Ų65119.8 Ų119.867%0.6770%0.7SS**  trans-56.6136.3-173.200000112.9V354 R358V354-G356 PolarHBondContact O-N 3.49Å; G356-R358 PolarHBondContact O-N 2.83Å
357A34.4Very low46Very low104 Ų104123.5 Ų123.586%0.8672%0.719SS**  trans-57.8126.1175.300000110.4R355R355-A357 PolarHBondContact O-N 3.13Å
358R41.6Very low45.4Very low244 Ų244125.8 Ų125.892%0.92175%0.75SS**  trans-138116.1178.8-169.3178.9-169.9172.64.5111.9G356G356-R358 PolarHBondContact O-N 2.83Å
359G37.7Very low45.1Very low71 Ų71124.1 Ų124.173%0.73276%0.758SS**  trans80.994.6143.700000116.9
360M32.2Very low44.9Very low183 Ų183125.1 Ų125.190%0.90177%0.771SS**  trans-1.1116.8144.7-68.3166.6168.800117.7
361T35.8Very low44.6Very low142 Ų142125.1 Ų125.187%0.87178%0.783SS**  trans36121139.754.80000120.6
362G36.5Very low44.5Very low68 Ų68129.4 Ų129.470%0.70180%0.8SS**  trans-135.8105.6156.200000111.9
363I42.6Very low44.7Very low176 Ų176126.9 Ų126.990%0.90380%0.801SS**  trans41.5125159.219.6175.4000121.5
364T42.7Very low44.9Very low140 Ų140128 Ų12886%0.85981%0.812SS**PPolyproline II helixtrans-62.3134.9167.9-40.60000112.2
365G47.8Very low45.1Very low58 Ų58128.7 Ų128.760%0.59882%0.817SS**PPolyproline II helixtrans-78.7153.316700000112.1
366P44.1Very low45Very low132 Ų132126.5 Ų126.586%0.85781%0.814SS**PPolyproline II helixtrans-69.4152.2-16928.8-35.9000113.7
367E51.2Low45Very low197 Ų197127 Ų12792%0.92182%0.819SS**PPolyproline II helixtrans-57.9134.3172.6-70.7179123.900111.5
368G48.4Very low45.2Very low76 Ų76130.6 Ų130.678%0.78482%0.818SS**PPolyproline II helixtrans-68.8129.4167.800000110.1
369G58.2Low45.1Very low69 Ų69125.1 Ų125.171%0.71181%0.811SS**PPolyproline II helixtrans-61.1149.4-174.400000113.8G371G369-G371 PolarHBondContact O-N 2.77Å
370P55.8Low45.1Very low133 Ų133125 Ų12586%0.86481%0.81SS**PPolyproline II helixtrans-59.7134.5173.7-20.232000111.2
371G56.5Low45.4Very low74 Ų74124.6 Ų124.676%0.76381%0.806SS**PPolyproline II helixtrans-69.5136.3174.300000111.8G369G369-G371 PolarHBondContact O-N 2.77Å
372E45.9Very low46.2Very low190 Ų190123.9 Ų123.989%0.88880%0.803SS**PPolyproline II helixtrans-70.7144.9174.1-71.5-162.2135.100111.8
373P56.9Low46.4Very low115 Ų115123.7 Ų123.775%0.74780%0.802SS**PPolyproline II helixtrans-78.5132.1-170.2-14.231.1000113.8
374G52.3Low46.4Very low82 Ų82123.3 Ų123.385%0.84580%0.802SS**PPolyproline II helixtrans-71.6131165.500000111.9
375V45.6Very low46.3Very low134 Ų134123.4 Ų123.481%0.81280%0.802SS**  trans-103.9114.9-169.9-170.90000112.6
376K38.6Very low46Very low203 Ų203124 Ų12488%0.88381%0.808SS**  trans33.2129.5145.9-168-176.8-177.8-178.20121.2
377G40.2Very low45.9Very low75 Ų75128.4 Ų128.477%0.77381%0.809SS**  trans166.7131151.200000114.3
378E37.8Very low45.5Very low181 Ų181128.6 Ų128.685%0.84681%0.81SS**  trans-109.5179.6-167.2-63.5175.5117.500115.6
379V40.4Very low45.6Very low129 Ų129127.9 Ų127.978%0.78280%0.803SS**  trans80.7132.1164.7-164.80000114.9
380G38.1Very low45.1Very low69 Ų69130.4 Ų130.471%0.71181%0.807SS**  cis-175.7-171.6-1.900000107.5
381H39Very low44.8Very low173 Ų173135.1 Ų135.180%0.80181%0.808SS**  cis-153.2173.31.9-99.9103000108.3
382P50.9Low44.8Very low127 Ų127134.2 Ų134.283%0.82580%0.798SS**  trans-96.6160.5-159.437.4-37.4000117.4
383G41.3Very low44.9Very low65 Ų65131.5 Ų131.567%0.6780%0.797SS**  trans169.7140163.800000109.8
384D42.2Very low44.8Very low167 Ų167133.9 Ų133.989%0.89380%0.801SS**  cis-139.7159.5-5.7-86.7-42000110.6G386D384-G386 PolarHBondContact O-N 3.26Å
385T41.1Very low45.1Very low142 Ų142132.5 Ų132.587%0.87179%0.786SS**  trans-78.9116.7-172.3-49.40000113.2
386G42.1Very low45.3Very low71 Ų71132 Ų13273%0.73279%0.785SS**  trans-106.894.3174.600000114.1D384D384-G386 PolarHBondContact O-N 3.26Å
387Y41.9Very low46Very low224 Ų224128 Ų12888%0.87878%0.781SS**  trans23.3113.2164.6-61.4-78.5000120.7G389Y387-G389 PolarHBondContact O-N 3.22Å
388Q43Very low46.4Very low201 Ų201127.9 Ų127.994%0.93978%0.78SS**PPolyproline II helixtrans-60.1129161.1-85.6-180-29.300112.3
389G51Low46.7Very low62 Ų62131.2 Ų131.264%0.63978%0.784SS**PPolyproline II helixtrans-76148.9161.600000111.8Y387Y387-G389 PolarHBondContact O-N 3.22Å
390P45.9Very low46.9Very low122 Ų122134.1 Ų134.179%0.79279%0.789SS**PPolyproline II helixtrans-68.9134.3-174.927.7-34.5000112.5G392P390-G392 PolarHBondContact O-N 3.37Å
391R51.2Low47.2Very low231 Ų231133.9 Ų133.987%0.87279%0.787SS**PPolyproline II helixtrans-57121.3174.1-177.6179-178.3178.31.7110.7
392G55.5Low47.4Very low55 Ų55131.4 Ų131.457%0.56779%0.789SS**PPolyproline II helixtrans-61.9150.1171.900000112P390 M394P390-G392 PolarHBondContact O-N 3.37Å; G392-M394 PolarHBondContact O-N 3.16Å
393P47.5Very low46.9Very low133 Ų133130.9 Ų130.986%0.86479%0.789SS**PPolyproline II helixtrans-62.9137.5-178.226.3-33.8000111.1G395P393-G395 PolarHBondContact O-N 2.73Å
394M55.1Low47.1Very low166 Ų166130.9 Ų130.982%0.81879%0.788SS**PPolyproline II helixtrans-61.5122.8174.6-175.1171.270.800109.4G392G392-M394 PolarHBondContact O-N 3.16Å
395G57.9Low47.5Very low53 Ų53128.9 Ų128.955%0.54679%0.785SS.*PPolyproline II helixtrans-59.2148.6174.700000111.2P393P393-G395 PolarHBondContact O-N 2.73Å
396P51.1Low47.6Very low122 Ų122128 Ų12879%0.79278%0.782SS**PPolyproline II helixtrans-58.6140.9176.925.6-33.8000109.9G398P396-G398 PolarHBondContact O-N 2.65Å
397P53.5Low47.4Very low120 Ų120128.1 Ų128.178%0.77978%0.783SS**PPolyproline II helixtrans-54.2125.8-179.4-26.634.5000111.5R399P397-R399 PolarHBondContact O-N 3.46Å
398G47.4Very low47.4Very low73 Ų73126 Ų12675%0.75379%0.785SS**PPolyproline II helixtrans-55.7136.5168.500000109.5P396 Q400P396-G398 PolarHBondContact O-N 2.65Å; G398-Q400 PolarHBondContact O-N 3.38Å
399R45.1Very low47.3Very low250 Ų250124.4 Ų124.494%0.94378%0.783SS**PPolyproline II helixtrans-52.5135.1-179-81.7-177.1172.3-178.7-2.3110.2P397 G401P397-R399 PolarHBondContact O-N 3.46Å; R399-G401 PolarHBondContact O-N 3.2Å; R399-G401 VanDerWaalsContact O-N 3.08Å
400Q43.1Very low46.7Very low190 Ų190125.2 Ų125.289%0.88879%0.792SS**  trans-53111.9179.8-166.9171.19.800110.3G398G398-Q400 PolarHBondContact O-N 3.38Å
401G45.9Very low46.3Very low65 Ų65125.1 Ų125.167%0.6779%0.794SS**PPolyproline II helixtrans-63.4135.6173.800000110.1R399 S403R399-G401 PolarHBondContact O-N 3.2Å; R399-G401 VanDerWaalsContact O-N 3.08Å; G401-S403 PolarHBondContact O-N 3.45Å
402S42.9Very low45.7Very low121 Ų121125.2 Ų125.285%0.84680%0.795SS**PPolyproline II helixtrans-62.6129.6-179.944.40000111.3G404S402-G404 PolarHBondContact O-N 3.16Å
403S40.6Very low45.1Very low116 Ų116126.1 Ų126.181%0.81180%0.803SS**PPolyproline II helixtrans-53.2127.8178.5-46.80000111.8G401G401-S403 PolarHBondContact O-N 3.45Å
404G45.8Very low44.6Very low64 Ų64128.3 Ų128.366%0.6680%0.802SS**PPolyproline II helixtrans-65.8147.4165.500000110.9S402S402-G404 PolarHBondContact O-N 3.16Å
405P49.7Very low43.9Very low126 Ų126126.2 Ų126.282%0.81880%0.801SS**PPolyproline II helixtrans-60.1140.6176.2-23.334.1000112.1
406P44Very low43.2Very low124 Ų124127.1 Ų127.181%0.80581%0.81SS**PPolyproline II helixtrans-60.1148.6173.5-2333.8000112.7
407G37.6Very low42.8Very low73 Ų73127.7 Ų127.775%0.75381%0.814SS**PPolyproline II helixtrans-66.4152.6171.800000112.4
408L41.3Very low42.2Very low179 Ų179127.9 Ų127.994%0.93782%0.818SS**  trans-110.9120.8169.9-82.8167.6000109.7
409D41.5Very low41.9Very low167 Ų167128 Ų12889%0.89382%0.819SS**  trans-73.2153.3-176.6-74.1-49.8000113.6
410G37Very low41.5Very low80 Ų80125 Ų12583%0.82582%0.818SS**  trans-73.2173-166.700000118
411S39Very low41.3Very low120 Ų120125.2 Ų125.284%0.83982%0.816SS**  trans-118.194.2172.144.90000112
412R38.2Very low41Very low233 Ų233125 Ų12588%0.87981%0.814SS**  trans47.6113137.1-162.2176.5-166.9159.53.4119.2
413G43.4Very low40.7Very low73 Ų73128.1 Ų128.175%0.75382%0.815SS**  trans-85.9170.7165.600000114.5
414E35.9Very low40.6Very low179 Ų179130.9 Ų130.984%0.83682%0.821SS**  trans-142.5163.2177.1-106.1-167.1-171.800111.1
415P41.4Very low40.4Very low123 Ų123131.1 Ų131.180%0.79982%0.823SS**PPolyproline II helix-102.5165.7-121.3-4.526.1000116.6
416G42.3Very low40.1Very low71 Ų71136.8 Ų136.873%0.73283%0.828SS**PPolyproline II helixtrans-80.3153.4-179.200000115.3
417P43.4Very low40.4Very low134 Ų134136.9 Ų136.987%0.8783%0.829SS**PPolyproline II helixtrans-87.7145177.634.1-33.8000113.7
418S40.3Very low40.4Very low125 Ų125136.4 Ų136.487%0.87482%0.824SS**PPolyproline II helixtrans-67.5149.8179.4-540000114.3
419G42.4Very low40.3Very low75 Ų75135.1 Ų135.177%0.77382%0.818SS**PPolyproline II helixtrans-92.4145174.900000114.9
420M35.2Very low40.5Very low186 Ų186132.7 Ų132.792%0.91681%0.814SS**  trans-156.4146.3165.8-61.8-169.488.400106
421K40.3Very low40.4Very low195 Ų195132.3 Ų132.385%0.84881%0.81SS**  cis-163.1141.9-7.6177.4-167171.8-172.80105.6
422G38.8Very low40.2Very low60 Ų60134 Ų13462%0.61981%0.808SS**  trans-78.5179.1172.200000112.6
423E36.5Very low40.4Very low187 Ų187130.6 Ų130.687%0.87481%0.806SS**  cis-147.8168.3-8.7-73-177.8112.200106.2
424D39.2Very low40Very low175 Ų175130.5 Ų130.594%0.93681%0.805SS**  trans-158.8136.4137.4-101.9-26.1000107.6
425G40Very low40.5Very low68 Ų68130.5 Ų130.570%0.70181%0.81SS**  trans-142149.1-161.800000117
426R43.4Very low40.2Very low245 Ų245134.6 Ų134.693%0.92582%0.815SS**  trans67.7163.2157.3-72.7-176.5-178.8-1621115.8
427P51.2Low40Very low126 Ų126134.5 Ų134.582%0.81881%0.814SS**  cis-98.3166.4123.321.3000113.6
428G37.8Very low40Very low63 Ų63136.3 Ų136.365%0.64982%0.817SS**  cis102.5121.748.200000107.1
429D39.5Very low40.2Very low153 Ų153138.1 Ų138.182%0.81881%0.809SS**  cis-146.4154.139.7-69.9-37.7000115.6
430S44.2Very low40.1Very low116 Ų116138.3 Ų138.381%0.81181%0.811SS**  trans44.3123.1143.4-52.80000120
431G35.8Very low40.7Very low71 Ų71136.9 Ų136.973%0.73280%0.802SS**  cis89.8132.13700000109.9
432L35.8Very low40.7Very low155 Ų155136.1 Ų136.181%0.81281%0.806SS**  cis-154.2161.111.7-81.6153000110.1
433I41Very low40.8Very low163 Ų163136.1 Ų136.184%0.83681%0.806SS**  trans32.6136.9136.8-54.5173.6000118.6
434G35.2Very low40.9Very low71 Ų71133.4 Ų133.473%0.73280%0.804SS**  cis161.2162.8800000110.7
435L46.7Very low41.8Very low178 Ų178131 Ų13193%0.93280%0.799SS**  trans-89.6160.4-171.4-68.2157.5000113.7
436K35.5Very low42.3Very low210 Ų210130.8 Ų130.891%0.91380%0.796SS**  131.2136.3126.9-173.7-175.8176.7-169.60116.4
437G36.8Very low42.1Very low69 Ų69123.4 Ų123.471%0.71178%0.78SS**  trans107.2132.3137.800000117
438D44.7Very low42Very low172 Ų172126.6 Ų126.692%0.9278%0.781SS**  trans-79.1133.3179-78.3-50.9000114
439K44.5Very low42.5Very low163 Ų163127.1 Ų127.171%0.70979%0.787SS**  trans62.1113.1152.2-144.4176.7-170.4-169.50120.9E441K439-E441 WeakPolarHBondContact CE-OE2 3.33Å; K439-E441 IonicContact NZ-OE1 3.95Å; K439-E441 IonicContact NZ-OE2 3.75Å; K439-E441 PolarHBondContact NZ-OE2 2.8Å
440G39.9Very low42.5Very low79 Ų79127 Ų12781%0.81479%0.786SS**  trans-134.2129.313200000108.8
441E48.1Very low42.6Very low156 Ų156131 Ų13173%0.72979%0.792SS**  trans-97.7121.4167.7-82.3172141.500108.7K439K439-E441 WeakPolarHBondContact CE-OE2 3.33Å; K439-E441 IonicContact NZ-OE1 3.95Å; K439-E441 IonicContact NZ-OE2 3.75Å; K439-E441 PolarHBondContact NZ-OE2 2.8Å
442L40.6Very low43.1Very low179 Ų179131 Ų13194%0.93779%0.792SS**  trans-151.4114.6163.7-163.281.8000111.3
443G39.5Very low43.7Very low60 Ų60132.1 Ų132.162%0.61980%0.798SS**  trans81122.7155.200000117.3
444P40.4Very low44Very low129 Ų129130.7 Ų130.784%0.83880%0.799SS**PPolyproline II helixtrans-66.5130.8159.729.3-31.6000109.3
445P57Low44.3Very low126 Ų126130.7 Ų130.782%0.81880%0.799SS**PPolyproline II helixtrans-62.7134.9175.6-22.834.2000111.8
446G49.9Very low44.1Very low63 Ų63132.1 Ų132.165%0.64980%0.801SS**PPolyproline II helixtrans-69.5156.3174.400000112.8
447P40.5Very low44.5Very low90 Ų90131.3 Ų131.358%0.58480%0.801SS**PPolyproline II helixtrans-63.4141.8-177.426.1-34000111.8
448K49.4Very low44.7Very low192 Ų192131.1 Ų131.184%0.83580%0.799SS**PPolyproline II helixtrans-78.8124-177.7-174.6-178.4179.4-174.40110D450K448-D450 PolarHBondContact O-N 2.74Å
449G47.3Very low44.6Very low75 Ų75128.9 Ų128.977%0.77379%0.793SS**PPolyproline II helixtrans-66.7129.4172.200000112.2
450D38.9Very low44.8Very low150 Ų150132.4 Ų132.480%0.80280%0.802SS**PPolyproline II helixtrans-84143.4-177.2-69.9-53.1000114.1K448K448-D450 PolarHBondContact O-N 2.74Å
451Q47.7Very low44.8Very low201 Ų201131.8 Ų131.894%0.93980%0.796SS**  trans158.6137.9133.5-90.7-175.1-18.300109.6
452G45.4Very low44.3Very low71 Ų71129.3 Ų129.373%0.73279%0.794SS**  cis-172.9142-8.400000110.5
453L48.1Very low44.2Very low177 Ų177130 Ų13093%0.92779%0.792SS**  trans-98.8139.3168.9-65.3169000108.6
454P48.9Very low44.1Very low133 Ų133130 Ų13086%0.86479%0.792SS**  -147.5169.111635.7-19.6000111.6
455G39.6Very low44.4Very low71 Ų71131.5 Ų131.573%0.73279%0.793SS**  cis-168.7173.5-1.400000105.4
456E43.2Very low43.7Very low208 Ų208133.9 Ų133.997%0.97280%0.797SS**  cis-141.4176.444.9-69.1-166.9131.200113
457E43.9Very low43Very low194 Ų194134 Ų13491%0.90780%0.799SS**  trans-129.6141.6-151.4-178.1-177.5178.200113.3
458G40.4Very low43.8Very low65 Ų65138.2 Ų138.267%0.6782%0.816SS**  trans101-177.7142.900000117.8
459P42.8Very low43.2Very low125 Ų125138 Ų13881%0.81282%0.818SS**  cis-126.3169.9-1.739-25.2000114.5
460R49.5Very low42.7Very low236 Ų236137.3 Ų137.389%0.89181%0.811SS**  trans70.299.9159.5-149.2173.9-159.8-176.46114.4
461G40.1Very low43Very low67 Ų67138 Ų13869%0.69181%0.814SS**  cis66.4-179.52000000112.6
462P37.9Very low42.8Very low104 Ų104134.4 Ų134.468%0.67581%0.809SS**  cis-135.7-175-41.740.7-27.3000110.5
463H36.8Very low42.4Very low193 Ų193133.6 Ų133.689%0.89480%0.8SS**  trans66.6152.6161.4-76.935.2000116.6
464G37.3Very low42.2Very low61 Ų61134.1 Ų134.163%0.62980%0.803SS**  cis-174.7161.3-4.300000111.8
465D47Very low41.7Very low160 Ų160132.9 Ų132.986%0.85680%0.795SS**  trans-60.9136.8174.1-47-82.1000111.1
466I42Very low41.4Very low175 Ų175132.7 Ų132.790%0.89779%0.793SS**  trans-178.1116154.1-84.7135000100.8
467G37.1Very low41Very low67 Ų67129.3 Ų129.369%0.69179%0.786SS**  cis130.8153.544.300000105.6Q469G467-Q469 PolarHBondContact O-N 3.03Å
468D55.8Low40.7Very low178 Ų178132 Ų13295%0.95279%0.788SS**  trans-63.9103.2-171.2-70.1-57.4000113.5
469Q38.4Very low41Very low186 Ų186131.8 Ų131.887%0.86979%0.786SS**  trans-154.3110.8154.5-166.1165.9-1300114.1G467G467-Q469 PolarHBondContact O-N 3.03Å
470G35.4Very low41Very low61 Ų61131.5 Ų131.563%0.62978%0.784SS**  trans59.6120138.600000119.8P472G470-P472 WeakPolarHBondContact O-CD 3.38Å
471D45.3Very low40.5Very low164 Ų164127 Ų12788%0.87778%0.782SS**  trans-48.4116.5167.6-60.7-68000112.9G473D471-G473 PolarHBondContact O-N 2.6Å
472P43.5Very low40.6Very low127 Ų127127 Ų12783%0.82578%0.783SS**  trans-81.416165.7-9.429.5000112.6G470G470-P472 WeakPolarHBondContact O-CD 3.38Å
473G38.3Very low40.6Very low53 Ų53130.7 Ų130.755%0.54679%0.791SS.*  trans61.5174.4151.400000120.8D471D471-G473 PolarHBondContact O-N 2.6Å
474L42.4Very low41.4Very low188 Ų188127.6 Ų127.698%0.98479%0.788SS**SBendtrans-103.275153.8-75.8170.3000110.6
475P38.1Very low41.9Very low107 Ų107128.2 Ų128.270%0.69580%0.795SS**  trans-123.4155.3155.439.7-32.3000112.1
476G35Very low41.3Very low67 Ų67127.3 Ų127.369%0.69180%0.798SS**  cis-136.2128.8-0.900000111.5
477V34.9Very low41.5Very low137 Ų137128.3 Ų128.383%0.8380%0.798SS**  86.597.482.6-178.20000112.3
478R37.2Very low42.3Very low252 Ų252128.5 Ų128.595%0.95180%0.8SS**  trans-151.195.9132.4-158.2176.6-167.3-176.34.1104.9
479G46.7Very low41.4Very low60 Ų60126 Ų12662%0.61979%0.793SS**  cis98.2156.242.800000108.8
480P41.7Very low41.5Very low119 Ų119129 Ų12977%0.77380%0.797SS**  cis-134.4156.9340.2-23.2000116.4
481V39.4Very low41.5Very low140 Ų140129.7 Ų129.785%0.84880%0.804SS**  trans57.8133.8133.7178.70000121.8
482G43.2Very low41.6Very low69 Ų69131.8 Ų131.871%0.71181%0.805SS**  trans144.747.5162.900000113.4
483Q36.6Very low41.6Very low180 Ų180132 Ų13284%0.84181%0.806SS**  58.1138.997.2-81.4-165.1-1.500117
484P53.4Low41.4Very low128 Ų128133 Ų13383%0.83182%0.818SS**  trans-119.5154-155.521.12.9000116.4
485G49.3Very low41.6Very low75 Ų75132 Ų13277%0.77381%0.813SS**  trans79.5159.2175.200000114.1
486P33.9Very low41.6Very low141 Ų141136.4 Ų136.492%0.91683%0.825SS**  cis-129.8-151.513.941.6-23.1000113.8
487Q46.8Very low41.7Very low196 Ų196136.5 Ų136.592%0.91683%0.825SS**  trans-87.3130.1-168.2179.1-175.51700115.5
488G53.9Low42.4Very low70 Ų70136 Ų13672%0.72283%0.825SS**  trans72171.8152.800000117.9
489P36.1Very low42.6Very low125 Ų125136.1 Ų136.181%0.81283%0.825SS**  cis-118.9171.71.340.8-28.5000114.4
490R41.4Very low42.2Very low250 Ų250136.2 Ų136.294%0.94383%0.827SS**  trans24.3111.3147.3-176.5-170-179.1-178.51118.7
491G34Very low42Very low76 Ų76142.5 Ų142.578%0.78484%0.835SS**  trans158.7129.3153.700000117.1
492K47.1Very low41.9Very low208 Ų208144.9 Ų144.990%0.90483%0.834SS**  trans-76.9176164-57.3-179.5178-179.40109.4
493P43.7Very low41.6Very low130 Ų130144.8 Ų144.884%0.84483%0.832SS**  cis-146.1-173.912.543.7-24000117
494G34.1Very low41.7Very low76 Ų76145.1 Ų145.178%0.78483%0.834SS**  trans134.1127.6144.900000117.4
495N46.3Very low41.3Very low166 Ų166147.4 Ų147.489%0.88884%0.838SS**  trans-101.1165.8176.4-66.4-38.4000112.8
496Q39.1Very low40.8Very low200 Ų200147.2 Ų147.294%0.93584%0.836SS**  trans116.8144.8159.5-68.8-174.8-4.400113.3
497G37.5Very low41.1Very low68 Ų68149.7 Ų149.770%0.70184%0.836SS**  cis-172.81731.500000111.1
498P49.7Very low41.2Very low127 Ų127146.7 Ų146.783%0.82583%0.833SS**  trans-106.4178.4-156.240.1-37.2000116.8
499R41.5Very low40.7Very low254 Ų254147 Ų14796%0.95884%0.836SS**  trans88133.1158.8-155.2-178-162.8-175.35.5115.5
500G37.9Very low41.1Very low63 Ų63149 Ų14965%0.64984%0.839SS**  cis158.8-174.6-300000111.3
501R37.2Very low41.4Very low250 Ų250143 Ų14394%0.94383%0.833SS**  trans90151.8178.2-65.2-175.3168.8-168.1-2.7116.2
502K38.3Very low42Very low191 Ų191142.8 Ų142.883%0.8383%0.831SS**  cis-173.5148.9-11.8160.4-170174-160.40110
503G36.7Very low41.8Very low66 Ų66140.7 Ų140.768%0.6883%0.828SS**  trans92.9147.4158.700000115.3
504E37.5Very low42.2Very low187 Ų187140.4 Ų140.487%0.87483%0.827SS**  cis-143.4138.41.9-63.1-172.8130.600109.5
505L44.8Very low43Very low177 Ų177139.7 Ų139.793%0.92782%0.819SS**  61.7123110.5-159.382.2000115.5
506G39.4Very low43Very low71 Ų71137.8 Ų137.873%0.73282%0.816SS**  cis147.6122.2-6.700000112
507E40.4Very low43.3Very low193 Ų193132.8 Ų132.890%0.90281%0.808SS**  trans-123.5155.9169.8-81.9-157.4139.300112.5
508P47.7Very low43.9Very low132 Ų132132.1 Ų132.186%0.85780%0.802SS**PPolyproline II helixtrans-71.8135.2-166.3-18.833.8000114.3
509G44.9Very low43.6Very low76 Ų76132.2 Ų132.278%0.78480%0.802SS**PPolyproline II helixtrans-78.8143.3-17800000114.5
510L44.7Very low43.8Very low167 Ų167126.7 Ų126.787%0.87479%0.79SS**PPolyproline II helixtrans-66.5145.2163.6-74163.8000110.3G512L510-G512 PolarHBondContact O-N 3.4Å
511P46.3Very low44.1Very low126 Ų126126.6 Ų126.682%0.81879%0.789SS**PPolyproline II helixtrans-57.5125.4178.5-24.634.2000111.9
512G48.2Very low44.2Very low71 Ų71120.9 Ų120.973%0.73278%0.782SS**PPolyproline II helixtrans-64.6135.9178.400000111.8L510L510-G512 PolarHBondContact O-N 3.4Å
513L41.9Very low44.3Very low164 Ų164117.4 Ų117.486%0.85978%0.782SS**PPolyproline II helixtrans-54.1134.9160.3-72.8164.5000108.3G515L513-G515 PolarHBondContact O-N 3.1Å; L513-G515 VanDerWaalsContact O-N 3.08Å
514P52Low44.6Very low124 Ų124116.8 Ų116.881%0.80578%0.775SS**PPolyproline II helixtrans-53.5121.6171.9-24.834000109
515G51.7Low44.7Very low60 Ų60114 Ų11462%0.61977%0.773SS**PPolyproline II helixtrans-56.3145.9174.300000109.4L513 A517L513-G515 PolarHBondContact O-N 3.1Å; L513-G515 VanDerWaalsContact O-N 3.08Å; G515-A517 PolarHBondContact O-N 3.25Å; G515-A517 VanDerWaalsContact O-N 3.16Å
516P46Very low44.3Very low127 Ų127114.6 Ų114.683%0.82577%0.771SS**PPolyproline II helixtrans-52.1130.2171.224.3-33.3000107.6G518P516-G518 PolarHBondContact O-N 3.5Å
517A45.1Very low44.3Very low94 Ų94114.2 Ų114.278%0.77777%0.768SS**PPolyproline II helixtrans-51.2119.8175.300000107.1G515G515-A517 PolarHBondContact O-N 3.25Å; G515-A517 VanDerWaalsContact O-N 3.16Å
518G49.9Very low44Very low55 Ų55114.2 Ų114.257%0.56777%0.77SS**PPolyproline II helixtrans-50.2145.6178.300000108.7P516 I520P516-G518 PolarHBondContact O-N 3.5Å; G518-I520 PolarHBondContact O-N 2.75Å
519P42.7Very low43.5Very low128 Ų128112.5 Ų112.583%0.83177%0.767SS**PPolyproline II helixtrans-48.6123.5177.822.3-33000107G521P519-G521 VanDerWaalsContact C-N 3.34Å; P519-G521 PolarHBondContact O-N 3.32Å
520I45.9Very low43.2Very low139 Ų139111.5 Ų111.571%0.71376%0.757SS**  trans-51.1111.4175.7-72.3174000104G518 T522G518-I520 PolarHBondContact O-N 2.75Å; I520-T522 PolarHBondContact O-N 3.18Å
521G44.3Very low42.8Very low60 Ų60110 Ų11062%0.61976%0.757SS**  trans-53.1123.4-173.400000106P519 S523P519-G521 VanDerWaalsContact C-N 3.34Å; P519-G521 PolarHBondContact O-N 3.32Å; G521-S523 PolarHBondContact O-N 3.16Å
522T40.2Very low42.5Very low131 Ų131115.6 Ų115.680%0.80476%0.762SS**  trans-44.4119.6173.546.60000105.9I520 G524I520-T522 PolarHBondContact O-N 3.18Å; T522-G524 PolarHBondContact O-N 3.05Å
523S39.2Very low41.9Very low117 Ų117114.5 Ų114.582%0.81875%0.751SS**  trans-47.6114172.127.10000105.3G521G521-S523 PolarHBondContact O-N 3.16Å
524G43.3Very low41.4Very low53 Ų53113.5 Ų113.555%0.54675%0.754SS.*  trans-52.5145-178.200000107.3T522 E526T522-G524 PolarHBondContact O-N 3.05Å; G524-E526 PolarHBondContact O-N 3.37Å
525P39.9Very low40.9Very low128 Ų128114.2 Ų114.283%0.83176%0.756SS**  trans-49.6117.2172.823.4-32.9000106.2G527P525-G527 WeakPolarHBondContact O-CA 3.43Å; P525-G527 PolarHBondContact O-N 2.78Å
526E37.4Very low40Very low190 Ų190115.1 Ų115.189%0.88877%0.765SS**  trans-53.3113.3-172-174.9175.8-169.100106.1G524 M528G524-E526 PolarHBondContact O-N 3.37Å; E526-M528 PolarHBondContact O-N 3.2Å
527G38Very low39.4Very low64 Ų64116.6 Ų116.666%0.6677%0.772SS**  trans-57.1122.6-163.700000107.5P525 A529P525-G527 WeakPolarHBondContact O-CA 3.43Å; P525-G527 PolarHBondContact O-N 2.78Å; G527-A529 PolarHBondContact O-N 2.92Å
528M35Very low39Very low193 Ų193117.1 Ų117.195%0.95178%0.776SS**  trans-44.3107.6-178.7-84.9-176.116000108.2E526 G530E526-M528 PolarHBondContact O-N 3.2Å; M528-G530 PolarHBondContact O-N 3.25Å
529A36Very low38.5Very low96 Ų96118.1 Ų118.179%0.79379%0.786SS**  trans-57.3116.7178.300000105.9G527G527-A529 PolarHBondContact O-N 2.92Å
530G39.4Very low38.5Very low55 Ų55119.8 Ų119.857%0.56778%0.783SS**  trans-52.5146.917800000108.9M528 R532M528-G530 PolarHBondContact O-N 3.25Å; G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.32Å
531P35.7Very low38.1Very low136 Ų136125.1 Ų125.188%0.88379%0.794SS**  trans-58.797.8-174.224.2-34.1000109.8G533P531-G533 PolarHBondContact O-N 3.14Å
532R39.9Very low38Very low243 Ų243124.7 Ų124.792%0.91779%0.789SS**  trans-64.5120.8174.8-173.4173.3179.6173.7-0.7105.9G530G530-R532 VanDerWaalsContact C-N 3.34Å; G530-R532 PolarHBondContact O-N 3.32Å
533G35.8Very low38.2Very low48 Ų48123.3 Ų123.350%0.49577%0.769SS.*  trans-56.4156.5-162.400000114.1P531 T535P531-G533 PolarHBondContact O-N 3.14Å; G533-T535 PolarHBondContact O-N 3.32Å; G533-T535 VanDerWaalsContact O-N 3.13Å
534P32.3Very low38.3Very low142 Ų142121.7 Ų121.792%0.92276%0.758SS**  trans-65.1115.2178.228.5-33.9000109.7
535T40.4Very low38.3Very low140 Ų140120.9 Ų120.986%0.85975%0.75SS**  trans-128.7112.4170.8-57.70000109.5G533G533-T535 PolarHBondContact O-N 3.32Å; G533-T535 VanDerWaalsContact O-N 3.13Å
536G34.2Very low38.2Very low78 Ų78120.3 Ų120.380%0.80475%0.746SS**  trans79.985.2160.700000116.8
537V32.5Very low38.2Very low159 Ų159113.9 Ų113.996%0.96472%0.722SS**  trans-84.3118.1156.9-117.90000110
538A36.1Very low38.1Very low105 Ų105113.1 Ų113.187%0.86871%0.714SS**  trans-157128.615800000107.6
539G41Very low38.1Very low75 Ų75110 Ų11077%0.77371%0.706SS**  cis-164.1140.9-14.400000107
540Q42.6Very low38.5Very low164 Ų164109.1 Ų109.177%0.76669%0.692SS**  trans-72.8148.3-173-69.2-165.134.500113.1
541R36.4Very low38.6Very low251 Ų251107.5 Ų107.595%0.94768%0.675SS**  trans-139.3140.4145.8-153.3175.7-152.9-166.26.9111.2
542G42.8Very low38.8Very low50 Ų50107.2 Ų107.252%0.51567%0.671SS.*  trans101.9121160.900000116.3K1309G542-K1309 PolarHBondContact O-NZ 3.16Å
543R44.4Very low38.9Very low103 Ų103101.1 Ų101.139%0.38966%0.657SS.*  trans-139.8130.2161.5-88-133.6174-131.1-1.7107.4K1309 G1310 E1311R543-K1309 CarbonylContact C-O 3.59Å; R543-K1309 WeakPolarHBondContact CA-O 3.47Å; R543-K1309 WeakPolarHBondContact CB-O 3.33Å; R543-K1309 WeakPolarHBondContact CD-O 3.29Å; R543-K1309 HydrophobicContact CG-CD 3.74Å; R543-K1309 VanDerWaalsContact CG-CE 3.49Å; R543-K1309 HydrophobicContact CG-CG 3.74Å; R543-K1309 WeakPolarHBondContact CG-O 3.43Å; R543-G1310 PolarHBondContact NH1-O 2.9Å; R543-E1311 WeakPolarHBondContact CD-OE2 3.31Å; R543-E1311 IonicContact CZ-OE1 3.59Å; R543-E1311 VanDerWaalsContact CZ-OE1 3.23Å; R543-E1311 IonicContact CZ-OE2 2.65Å; R543-E1311 IonicContact NE-OE1 2.75Å; R543-E1311 PolarHBondContact NE-OE1 2.79Å; R543-E1311 IonicContact NE-OE2 3.89Å; R543-E1311 PolarHBondContact NE-OE2 2.88Å; R543-E1311 IonicContact NH2-OE1 3.36Å; R543-E1311 PolarHBondContact NH2-OE1 3.32Å; R543-E1311 IonicContact NH2-OE2 3.9Å
544S42.1Very low39.2Very low83 Ų83101.9 Ų101.958%0.5866%0.664SS**  trans-120.8-135.8173.7-390000108.5L1308 K1309 G1310S544-L1308 CarbonylContact C-O 3.6Å; S544-L1308 WeakPolarHBondContact CA-O 3.1Å; S544-L1308 WeakPolarHBondContact CB-O 3.38Å; S544-L1308 PolarHBondContact N-O 3.27Å; S544-K1309 CarbonylContact C-O 3.58Å; S544-K1309 PolarHBondContact N-O 3.27Å; S544-K1309 CarbonylContact O-C 2.9Å; S544-G1310 WeakPolarHBondContact O-CA 3.41Å; S544-G1310 PolarHBondContact O-N 2.87Å; S544-G1310 VanDerWaalsContact O-N 3.11Å
545G41.7Very low39.5Very low36 Ų36100.6 Ų100.637%0.37165%0.649SS.*  trans-100.7153.8179.400000115.5S547 L1308 K1309G545-S547 VanDerWaalsContact C-N 3.32Å; G545-S547 PolarHBondContact O-N 3.09Å; G545-L1308 PolarHBondContact N-O 2.93Å; G545-L1308 VanDerWaalsContact N-O 3.13Å; G545-L1308 CarbonylContact O-C 2.84Å; G545-L1308 WeakPolarHBondContact O-CA 3.31Å; G545-L1308 PolarHBondContact O-N 2.87Å; G545-K1309 PolarHBondContact O-N 2.77Å
546P38.2Very low39.6Very low115 Ų11599.7 Ų99.775%0.74765%0.646SS**  trans-7181.6171.931.9-35.1000111.6G548P546-G548 PolarHBondContact O-N 3.42Å
547S38.7Very low40.1Very low55 Ų5599 Ų9939%0.38564%0.639SS.*  trans-63.3133.3170.3-54.70000110.4G545 G1307G545-S547 VanDerWaalsContact C-N 3.32Å; G545-S547 PolarHBondContact O-N 3.09Å; S547-G1307 VanDerWaalsContact OG-C 3.25Å; S547-G1307 WeakPolarHBondContact OG-CA 3.39Å; S547-G1307 PolarHBondContact OG-N 3.41Å; S547-G1307 PolarHBondContact OG-O 3.15Å
548G34.8Very low40.3Very low48 Ų48101 Ų10150%0.49564%0.635SS.*  trans-64.7146.6-163.600000114.4P546 V1305P546-G548 PolarHBondContact O-N 3.42Å; G548-V1305 WeakPolarHBondContact O-CG1 3.21Å; G548-V1305 PolarHBondContact O-N 3.42Å
549V35.2Very low41Very low128 Ų128102 Ų10278%0.77663%0.632SS**  trans-24.3139.3178-97.50000115.8G551V549-G551 PolarHBondContact O-N 3.01Å
550P44.9Very low41.2Very low78 Ų78101.1 Ų101.151%0.50662%0.623SS.*  trans-52.4115.2158.2-9.520.1000108.6T552 V1305P550-T552 PolarHBondContact O-N 3.42Å; P550-T552 VanDerWaalsContact O-N 3.1Å; P550-V1305 HydrophobicContact CB-CG2 3.66Å; P550-V1305 HydrophobicContact CG-CG1 4.34Å; P550-V1305 HydrophobicContact CG-CG2 3.74Å; P550-V1305 VanDerWaalsContact N-CG2 3.3Å
551G42Very low41.3Very low21 Ų2199.8 Ų99.822%0.21663%0.629CS.*PPolyproline II helixtrans-49.5121.7159.900000106.4V549 D553V549-G551 PolarHBondContact O-N 3.01Å; G551-D553 PolarHBondContact O-N 2.03Å; G551-D553 VanDerWaalsContact O-N 3.13Å
552T39.6Very low41.5Very low129 Ų12997.4 Ų97.479%0.79163%0.625SS**PPolyproline II helixtrans-54.5120.2-179.346.10000108P550 G554P550-T552 PolarHBondContact O-N 3.42Å; P550-T552 VanDerWaalsContact O-N 3.1Å; T552-G554 PolarHBondContact O-N 2.86Å; T552-G554 VanDerWaalsContact O-N 3.16Å
553D41.7Very low41.4Very low116 Ų11698.1 Ų98.162%0.6263%0.633SS**PPolyproline II helixtrans-52.9126171.7-81.7-60.1000108.3G551 R1303G551-D553 PolarHBondContact O-N 2.03Å; G551-D553 VanDerWaalsContact O-N 3.13Å; D553-R1303 VanDerWaalsContact CG-NH2 3.3Å; D553-R1303 IonicContact OD1-CZ 3.28Å; D553-R1303 VanDerWaalsContact OD1-CZ 3.28Å; D553-R1303 IonicContact OD1-NH1 2.66Å; D553-R1303 PolarHBondContact OD1-NH1 2.83Å; D553-R1303 IonicContact OD1-NH2 2.68Å; D553-R1303 PolarHBondContact OD1-NH2 3.24Å; D553-R1303 VanDerWaalsContact OD1-NH2 3.13Å; D553-R1303 IonicContact OD2-CZ 3.69Å; D553-R1303 IonicContact OD2-NH1 3.78Å; D553-R1303 IonicContact OD2-NH2 2.8Å; D553-R1303 PolarHBondContact OD2-NH2 2.98Å
554G42Very low41Very low63 Ų63101.2 Ų101.265%0.64966%0.657SS**PPolyproline II helixtrans-61161.4-174.800000111.5T552T552-G554 PolarHBondContact O-N 2.86Å; T552-G554 VanDerWaalsContact O-N 3.16Å
555L39Very low41.3Very low116 Ų116103.7 Ų103.761%0.60767%0.668SS**PPolyproline II helixtrans-53.5132.8171.1-59.2-176.5000109.2Q13 G557Q13-L555 HydrophobicContact CG-CD2 3.37Å; L555-G557 PolarHBondContact O-N 2.93Å; L555-G557 VanDerWaalsContact O-N 3.15Å
556P42.4Very low41.2Very low121 Ų121105.1 Ų105.179%0.78668%0.683SS**PPolyproline II helixtrans-51.6125.4169.1-25.534.4000108.9
557G43.8Very low41.4Very low64 Ų64105.6 Ų105.666%0.6669%0.686SS**PPolyproline II helixtrans-56.6146.9178.100000110.6L555L555-G557 PolarHBondContact O-N 2.93Å; L555-G557 VanDerWaalsContact O-N 3.15Å
558F38.2Very low41.8Very low200 Ų200112.2 Ų112.288%0.87771%0.708SS**PPolyproline II helixtrans-49.7128.2173.5-76.2-87.3000109.9G560F558-G560 PolarHBondContact O-N 2.95Å; F558-G560 VanDerWaalsContact O-N 3.12Å
559P48.9Very low42Very low126 Ų126112.8 Ų112.882%0.81871%0.713SS**PPolyproline II helixtrans-55121.5166-22.933.6000108.3
560G46.4Very low41.9Very low57 Ų57114 Ų11459%0.58872%0.715SS**PPolyproline II helixtrans-59.4155.1175.400000110.9F558 K562F558-G560 PolarHBondContact O-N 2.95Å; F558-G560 VanDerWaalsContact O-N 3.12Å; G560-K562 PolarHBondContact O-N 2.77Å
561P44.4Very low42.3Very low135 Ų135117.3 Ų117.388%0.87774%0.735SS**PPolyproline II helixtrans-53127.9174.122.4-32.4000109.9G563P561-G563 PolarHBondContact O-N 3.27Å; P561-G563 VanDerWaalsContact O-N 3.16Å
562K40.9Very low42.8Very low202 Ų202119.8 Ų119.888%0.87876%0.76SS**PPolyproline II helixtrans-49.3116.7177.3178.6-178.5177.5-176.30109.5G560G560-K562 PolarHBondContact O-N 2.77Å
563G40.4Very low43.4Very low65 Ų65119.6 Ų119.667%0.6776%0.761SS**PPolyproline II helixtrans-62.3141.9179.900000112.1P561P561-G563 PolarHBondContact O-N 3.27Å; P561-G563 VanDerWaalsContact O-N 3.16Å
564D36.9Very low43.8Very low167 Ų167121.7 Ų121.789%0.89377%0.772SS**PPolyproline II helixtrans-64.5151.7174.7-82.1-50.5000112.4G566D564-G566 PolarHBondContact O-N 2.93Å
565V46.6Very low43.7Very low136 Ų136121.9 Ų121.982%0.82477%0.774SS**PPolyproline II helixtrans-70.1118.2-165.7177.50000111.6
566G39.4Very low43.7Very low65 Ų65121.5 Ų121.567%0.6778%0.781SS**PPolyproline II helixtrans-69.5128.6165.900000111.3D564 K568D564-G566 PolarHBondContact O-N 2.93Å; G566-K568 PolarHBondContact O-N 3.06Å
567P43.5Very low43.9Very low125 Ų125125.7 Ų125.781%0.81279%0.787SS**  trans-77.7115.9179.829.1-33000112.5
568K46.2Very low43.7Very low195 Ų195125.7 Ų125.785%0.84879%0.787SS**  trans52.8107.4145.5-165.9177.2-176.8-178.80119G566G566-K568 PolarHBondContact O-N 3.06Å
569G38.8Very low44Very low59 Ų59123.9 Ų123.961%0.60879%0.786SS**  trans-87.9170152.300000113.7
570D33.9Very low43.7Very low153 Ų153124.2 Ų124.282%0.81879%0.786SS**  trans86.9118.3154.5-54-13.8000121.5
571T54.2Low43.9Very low149 Ų149124.5 Ų124.591%0.91479%0.79SS**  trans-154.2128131.3-610000108.6
572G52.2Low43.4Very low73 Ų73126.5 Ų126.575%0.75379%0.791SS**  trans-155.2135.8174.700000112.5
573P52Low43.4Very low124 Ų124124.9 Ų124.981%0.80579%0.787SS**  trans-134156.8169.838.6-24.2000113.1
574N50.2Low43.8Very low161 Ų161125.4 Ų125.486%0.86179%0.792SS**  cis-152.9154.1-3.7-164.7-1.2000109.7
575G39.8Very low43.8Very low67 Ų67122 Ų12269%0.69178%0.779SS**  trans-16628.9-174.600000116.4
576S37.8Very low43.5Very low107 Ų107126.9 Ų126.975%0.74878%0.782SS**  trans46.899.3164.561.70000119.7
577K46.6Very low43.5Very low209 Ų209126.9 Ų126.991%0.90978%0.783SS**SBendtrans58.297.8145-162173.7-174.6176.60118.4
578G41.2Very low43.2Very low64 Ų64131.7 Ų131.766%0.6679%0.786SS**SBendtrans170.990.1167.300000105T580G578-T580 PolarHBondContact O-N 2.8Å
579D43.6Very low42.9Very low162 Ų162132.3 Ų132.387%0.86679%0.789SS**PPolyproline II helixtrans-51.1122.6-147.3-60.6-43.9000113.8G581D579-G581 PolarHBondContact O-N 2.64Å
580T43.7Very low42.8Very low133 Ų133132.9 Ų132.982%0.81680%0.795SS**PPolyproline II helixtrans-59.4119.5-151.6-48.10000113.9G578 I582G578-T580 PolarHBondContact O-N 2.8Å; T580-I582 PolarHBondContact O-N 2.8Å
581G48.9Very low43Very low64 Ų64134.3 Ų134.366%0.6680%0.796SS**PPolyproline II helixtrans-65.7129.1166.500000111.2D579 Q583D579-G581 PolarHBondContact O-N 2.64Å; G581-Q583 PolarHBondContact O-N 3.43Å
582I33.8Very low42.2Very low176 Ų176138.1 Ų138.190%0.90379%0.794SS**PPolyproline II helixtrans-66.1135.9-174.5-54.5177.9000110.5T580T580-I582 PolarHBondContact O-N 2.8Å
583Q42.2Very low42.2Very low169 Ų169138.4 Ų138.479%0.7980%0.797SS**PPolyproline II helixtrans-91.3146.7-156-165.8-176.313.900113.2G581 P585G581-Q583 PolarHBondContact O-N 3.43Å; Q583-P585 HydrophobicContact CG-CG 4.3Å
584G48.9Very low41.7Very low76 Ų76144.2 Ų144.278%0.78480%0.803SS**  trans-128.3123.6160.200000111.6
585P35.9Very low41.3Very low94 Ų94142.6 Ų142.661%0.6180%0.804SS**  trans-133.6129.8152.919.91.9000111.1Q583Q583-P585 HydrophobicContact CG-CG 4.3Å
586R40.7Very low41.4Very low239 Ų239142.5 Ų142.590%0.90280%0.803SS**  62.7101.876.2-164.8177.8-172.3172.32.7112.5
587G38.5Very low42.1Very low66 Ų66143.9 Ų143.968%0.6881%0.81SS**  trans-105.6-165.5-174.200000115.8
588Y39.1Very low41.8Very low226 Ų226142.7 Ų142.789%0.88681%0.807SS**  trans-138128.7179.6-76.5-86.9000114.1
589K39.7Very low41.6Very low208 Ų208142.8 Ų142.890%0.90481%0.808SS**  trans-25.5138.2148.9-178.9-170.1-173.3-174.90114
590G36.3Very low41.7Very low71 Ų71140.1 Ų140.173%0.73281%0.809SS**  cis139.7129.4-2.500000111.2
591E36.8Very low41.3Very low182 Ų182143.5 Ų143.585%0.8581%0.812SS**SBendtrans-149139.4172.7-136.2177-139.700115.4
592R38.9Very low40.8Very low229 Ų229143.1 Ų143.186%0.86481%0.808SS**SBendtrans49.981174.8-143.8158.9-61.7-157.63.6117.1
593G51.7Low40.7Very low79 Ų79144.6 Ų144.681%0.81481%0.811SS**  trans-67.5137.7-167.500000116.9
594R42.3Very low40.8Very low246 Ų246141.6 Ų141.693%0.92881%0.81SS**  trans-119.1134.1144-74-175.4169.9-178.2-4.2107.5G596R594-G596 PolarHBondContact O-N 2.85Å
595S41.8Very low40.4Very low128 Ų128141.2 Ų141.290%0.89581%0.805SS**  trans-35.9121.8-159.6-46.90000115.4
596G41.9Very low40.1Very low65 Ų65146.7 Ų146.767%0.6782%0.819SS**PPolyproline II helixtrans-71.2155.1179.200000113R594 E598R594-G596 PolarHBondContact O-N 2.85Å; G596-E598 PolarHBondContact O-N 3.33Å
597P52.3Low40.3Very low136 Ų136141.4 Ų141.488%0.88382%0.816SS**PPolyproline II helixtrans-76.3119.9175.231.1-32.3000110
598E40.4Very low40.3Very low183 Ų183141.4 Ų141.486%0.85582%0.816SS**PPolyproline II helixtrans-90.1121.6177.7-172.4169.8-169.200110.9G596G596-E598 PolarHBondContact O-N 3.33Å
599G35.3Very low40.5Very low66 Ų66135.3 Ų135.368%0.6880%0.804SS**PPolyproline II helixtrans-102.8135.6166.200000111
600A47.3Very low40.8Very low107 Ų107130.9 Ų130.988%0.88479%0.794SS**  trans41.7105.4156.200000119.3
601K34.3Very low41Very low203 Ų203130 Ų13088%0.88378%0.784SS**  trans-148.5133.3143.6-169.2176-179.6-177.90112.4
602G38.3Very low40.9Very low56 Ų56125.5 Ų125.558%0.57777%0.77SS**  trans8082.814500000117.3S604G602-S604 PolarHBondContact O-N 2.88Å
603E32.9Very low41.2Very low207 Ų207117 Ų11797%0.96774%0.744SS**  -58.791.2128.3-69.8-177.2126.400108.9
604S42.6Very low40.5Very low107 Ų107115.5 Ų115.575%0.74873%0.728SS**  trans-169.2109.5156.958.30000111.7G602G602-S604 PolarHBondContact O-N 2.88Å
605G40.6Very low40Very low67 Ų67109.9 Ų109.969%0.69172%0.717SS**  trans83.697.7156.400000117.7
606K30.2Very low40Very low209 Ų209109.7 Ų109.791%0.90971%0.713SS**  trans-13678.5153-72.8-166.8179-178.90112.9
607P45.1Very low40.1Very low129 Ų129109.9 Ų109.984%0.83871%0.714SS**  trans-68.6139.1138.912.93000108.8
608G39.1Very low40Very low65 Ų65109.5 Ų109.567%0.6771%0.712SS**  cis-156.9158.2-14.200000108.8
609P42Very low40.4Very low98 Ų98111 Ų11164%0.63672%0.715SS**  trans-103.6117.2-162.435.5-30.4000115.7P1138P609-P1138 HydrophobicContact CG-CB 4.48Å; P609-P1138 HydrophobicContact CG-CG 4.15Å
610V46.2Very low40.4Very low116 Ų116110.8 Ų110.870%0.70371%0.713SS**  trans-151.1144.7159.1169.60000105.4L1132V610-L1132 HydrophobicContact CG1-CD1 3.84Å; V610-L1132 HydrophobicContact CG1-CD2 4.4Å; V610-L1132 HydrophobicContact CG2-CD1 4.28Å; V610-L1132 HydrophobicContact CG2-CD2 4.32Å
611G42Very low39.6Very low51 Ų51112.3 Ų112.353%0.52671%0.712SS.*  cis-164.4-179.83.300000111.1E1131G611-E1131 WeakPolarHBondContact CA-OE1 2.99Å
612V33.6Very low40Very low89 Ų89111.4 Ų111.454%0.53971%0.708SS.*  trans-98.2-168.1-164.8-119.70000110.7L1132V612-L1132 HydrophobicContact CG2-CD2 4.42Å; V612-L1132 HydrophobicContact CG2-CG 4.24Å; V612-L1132 VanDerWaalsContact CG2-N 3.29Å
613P45.3Very low39.9Very low50 Ų50111.7 Ų111.733%0.32571%0.71SS.*  cis-136.1171.1-20.423.10000117K1129 G1130P613-K1129 HydrophobicContact CB-CG 4.2Å; P613-K1129 VanDerWaalsContact CD-O 3.28Å; P613-K1129 WeakPolarHBondContact CD-O 2.91Å; P613-K1129 HydrophobicContact CG-CB 4.3Å; P613-K1129 HydrophobicContact CG-CG 3.7Å; P613-K1129 WeakPolarHBondContact O-CE 3.48Å; P613-K1129 WeakPolarHBondContact O-CG 3.45Å; P613-K1129 PolarHBondContact O-NZ 2.89Å; P613-G1130 VanDerWaalsContact CG-N 3.34Å
614G36.1Very low39.9Very low47 Ų47107.8 Ų107.849%0.48570%0.696SS.*  114154.5113.200000120.7K1129G614-K1129 VanDerWaalsContact C-NZ 3.32Å; G614-K1129 WeakPolarHBondContact O-CE 3.4Å; G614-K1129 PolarHBondContact O-NZ 2.91Å
615D32.8Very low40Very low128 Ų128109.7 Ų109.768%0.68470%0.703SS**  trans43.3150.9152.8-37-46.1000122.4K1129D615-K1129 VanDerWaalsContact OD2-CE 3.25Å; D615-K1129 WeakPolarHBondContact OD2-CE 3.44Å
616P41.2Very low39.9Very low125 Ų125109.2 Ų109.281%0.81270%0.698SS**  cis-122.7173.7-12.821.81.6000113.4
617G44.4Very low40.2Very low68 Ų68107.2 Ų107.270%0.70170%0.695SS**  trans-81.1-151.2162.400000111.5
618P51.2Low39.8Very low128 Ų128106.7 Ų106.783%0.83170%0.695SS**  cis-109.9165-24.138.8-28.6000110.9
619K48.8Very low39.9Very low214 Ų214105.8 Ų105.893%0.9369%0.685SS**  trans-157119.1155.4-129.2168.7-175.7174.30111.2
620G33.6Very low39.8Very low62 Ų62107.3 Ų107.364%0.63970%0.696SS**  trans-89.2-166.517900000112.9
621V31.4Very low39.7Very low140 Ų140108.9 Ų108.985%0.84871%0.705SS**  trans55.1127.5163.6-76.90000118.7
622K42.1Very low39.6Very low184 Ų184109 Ų10980%0.871%0.707SS**  -125.361.5125.5-156178.5-178.6-175.70111.9D624K622-D624 WeakPolarHBondContact CE-O 3.46Å; K622-D624 HydrophobicContact CG-CB 4.41Å; K622-D624 PolarHBondContact O-N 2.9Å; K622-D624 VanDerWaalsContact O-N 3.11Å
623G36.5Very low39.7Very low61 Ų61110.4 Ų110.463%0.62972%0.72SS**  trans-69.489.1141.700000106.9
624D33.5Very low39.5Very low125 Ų125114.5 Ų114.567%0.66875%0.746SS**  trans-172.869.1161.6-97.4-17.5000109.2K622K622-D624 WeakPolarHBondContact CE-O 3.46Å; K622-D624 HydrophobicContact CG-CB 4.41Å; K622-D624 PolarHBondContact O-N 2.9Å; K622-D624 VanDerWaalsContact O-N 3.11Å
625V43.7Very low39.5Very low147 Ų147115.6 Ų115.689%0.89176%0.758SS**SBend-126.3128.2115.1-176.40000104.6
626G39.2Very low39.7Very low58 Ų58116.6 Ų116.660%0.59877%0.768SS**  trans-68.3173.6-159.700000115S628G626-S628 PolarHBondContact O-N 3.22Å; G626-S628 VanDerWaalsContact O-N 3.08Å
627I36Very low39.8Very low166 Ų166117.9 Ų117.985%0.85177%0.774SS**  trans-40117.4152.3-4.7175000108.2G629I627-G629 VanDerWaalsContact C-N 3.32Å; I627-G629 PolarHBondContact O-N 3.45Å
628S37.8Very low39.7Very low119 Ų119117.3 Ų117.383%0.83277%0.768SS**  trans-57.7110.9144.5-71.60000104.5G626G626-S628 PolarHBondContact O-N 3.22Å; G626-S628 VanDerWaalsContact O-N 3.08Å
629G40.4Very low39Very low45 Ų45116.8 Ų116.846%0.46476%0.756SS.*  trans-55.5160.7-179.500000110.7I627 V631I627-G629 VanDerWaalsContact C-N 3.32Å; I627-G629 PolarHBondContact O-N 3.45Å; G629-V631 PolarHBondContact O-N 3.26Å; G629-V631 VanDerWaalsContact O-N 3.07Å
630P39.9Very low38.6Very low131 Ų131112.2 Ų112.285%0.85174%0.736SS**  trans-52.5124.2173.524.6-33.8000108.5G632P630-G632 PolarHBondContact O-N 3.29Å
631V43.7Very low39.3Very low149 Ų149111.8 Ų111.890%0.90373%0.732SS**  trans-68.593.7167.3177.80000105.9G629G629-V631 PolarHBondContact O-N 3.26Å; G629-V631 VanDerWaalsContact O-N 3.07Å
632G40.4Very low39.7Very low54 Ų54113.1 Ų113.156%0.55773%0.734SS**PPolyproline II helixtrans-59.2151.2167.400000110P630P630-G632 PolarHBondContact O-N 3.29Å
633S36.6Very low40.1Very low117 Ų117109.8 Ų109.882%0.81873%0.731SS**SBendtrans-54.3153.3166.738.20000111.4
634P40.4Very low40.1Very low136 Ų136110.2 Ų110.288%0.88374%0.735SS**PPolyproline II helixtrans-73.5152-155.4-18.533000115.1
635G36.7Very low40.8Very low70 Ų70110 Ų11072%0.72274%0.74SS**  trans-164.588.117500000115.6
636V37Very low41.1Very low150 Ų150109.4 Ų109.491%0.90974%0.74SS**  trans20.9121.6155.7-69.40000121.9
637T42.2Very low41.3Very low152 Ų152109.8 Ų109.893%0.93374%0.744SS**  trans-69.6149.6169.9-41.90000113.3
638G43.4Very low42Very low55 Ų55107.8 Ų107.857%0.56774%0.742SS**  cis151146-5.400000112.6
639M37Very low42.4Very low118 Ų118109.3 Ų109.358%0.58175%0.745SS**  trans-150.4168.6179.1-79.8-153.8147.700116.6G659M639-G659 VanDerWaalsContact CE-O 3.31Å; M639-G659 WeakPolarHBondContact CE-O 3.34Å; M639-G659 VanDerWaalsContact CG-N 3.31Å; M639-G659 VanDerWaalsContact SD-CA 3.54Å; M639-G659 PolarHBondContact SD-N 3.01Å; M639-G659 VanDerWaalsContact SD-O 3.36Å
640K39.7Very low42.4Very low118 Ų118109.4 Ų109.451%0.51375%0.746SS.*  trans-79.1160.4-167.3-130.5158.3169.2172.60113.4K658K640-K658 HydrophobicContact CB-CB 3.61Å; K640-K658 HydrophobicContact CB-CD 4.17Å; K640-K658 HydrophobicContact CD-CB 3.82Å; K640-K658 HydrophobicContact CD-CD 4.36Å; K640-K658 HydrophobicContact CG-CB 3.95Å; K640-K658 HydrophobicContact CG-CD 3.97Å
641G47.2Very low42.6Very low53 Ų53111.5 Ų111.555%0.54675%0.745SS.*  cis111.71420.800000114.3
642D41.4Very low42.9Very low167 Ų167114.4 Ų114.489%0.89374%0.74SS**  trans-109.9160.7177.9-94.2-28.3000114.5
643P49.7Very low43Very low115 Ų115114.7 Ų114.775%0.74774%0.742SS**  trans-103.5178.9-159.20.924.3000114.1
644G36.9Very low43.2Very low69 Ų69116.8 Ų116.871%0.71174%0.744SS**  cis-172.4-175.513.700000115.7
645P48.2Very low43.5Very low120 Ų120116 Ų11678%0.77974%0.739SS**  trans-102171.5-157.144.1-39.1000112.9
646P50.3Low43.4Very low136 Ų136116.3 Ų116.388%0.88374%0.743SS**  -144166.982.832.2-12.4000113.7
647G42.2Very low43.7Very low66 Ų66115.1 Ų115.168%0.6874%0.736SS**  cis-174.6132.2-4.700000108.5
648P50.1Low43.4Very low124 Ų124114.1 Ų114.181%0.80572%0.719SS**  trans-96.7152.9-164.136.8-36.1000114.6
649V47.6Very low43Very low150 Ų150112.5 Ų112.591%0.90970%0.702SS**  trans-146.9114.2153.7-166.80000107.2
650G39.2Very low42.8Very low47 Ų47113.6 Ų113.649%0.48571%0.71SS.*  cis105.1101.62.100000111.7
651Q45.1Very low43Very low176 Ų176113.7 Ų113.782%0.82272%0.722SS**  -147144.5122.9-78.8-130.721.700110.9
652R50Low42.6Very low210 Ų210115 Ų11579%0.79274%0.735SS**  cis178.1157.7-33.1-119.3173-178.4154.3-3.3106.1
653G42Very low42.5Very low59 Ų59111.8 Ų111.861%0.60873%0.732SS**  trans102118168.500000112.9
654D40.5Very low41.9Very low161 Ų161113.1 Ų113.186%0.86174%0.738SS**  cis-136.8156.6-12.5-92.7-50.9000111.4
655P46.3Very low42.1Very low119 Ų119113.1 Ų113.177%0.77374%0.738SS**  trans-92.1147.8-153.7-6.227.3000112.4
656G35.5Very low41.9Very low78 Ų78114 Ų11480%0.80474%0.741SS**  trans-77175.8176.500000114.1
657T43Very low42.3Very low124 Ų124113.3 Ų113.376%0.76174%0.736SS**  trans-113.5138.3165.848.70000110.6
658K37.2Very low42.7Very low132 Ų132113.1 Ų113.157%0.57473%0.734SS**  trans-128.8147.5164.9-63.3-153.5-90.7176.10108.5K640K640-K658 HydrophobicContact CB-CB 3.61Å; K640-K658 HydrophobicContact CB-CD 4.17Å; K640-K658 HydrophobicContact CD-CB 3.82Å; K640-K658 HydrophobicContact CD-CD 4.36Å; K640-K658 HydrophobicContact CG-CB 3.95Å; K640-K658 HydrophobicContact CG-CD 3.97Å
659G34.9Very low42.6Very low21 Ų21109.8 Ų109.822%0.21671%0.713CS.*  trans84.2157.2169.800000113.8M639M639-G659 VanDerWaalsContact CE-O 3.31Å; M639-G659 WeakPolarHBondContact CE-O 3.34Å; M639-G659 VanDerWaalsContact CG-N 3.31Å; M639-G659 VanDerWaalsContact SD-CA 3.54Å; M639-G659 PolarHBondContact SD-N 3.01Å; M639-G659 VanDerWaalsContact SD-O 3.36Å
660L32.7Very low42.7Very low141 Ų141108.5 Ų108.574%0.73871%0.708SS**  cis-144.3-146.213.6-68.3163.8000110.2
661P43.8Very low43.3Very low120 Ų120109.7 Ų109.778%0.77972%0.72SS**  -132.4179.3-118.238.4-15.8000116.1
662G38.8Very low43.5Very low79 Ų79106.9 Ų106.981%0.81472%0.717SS**  trans65.986.3142.400000120
663A37.7Very low43.3Very low100 Ų100103.7 Ų103.783%0.82672%0.715SS**  trans175.3136.1154.300000107.2
664V38.9Very low43Very low144 Ų144103 Ų10387%0.87371%0.709SS**  cis-136.3176.62179.50000107.9
665G41Very low42.8Very low69 Ų69104.2 Ų104.271%0.71171%0.709SS**  trans-62169.6178.400000116.9
666T44.1Very low42.5Very low139 Ų139110.3 Ų110.385%0.85372%0.717SS**  trans-67.9174.7-176.158.50000115.2
667P57.9Low42.8Very low120 Ų120109.6 Ų109.678%0.77971%0.71SS**  -137175.3-57.340.3-24.1000112.4
668G49.6Very low42.6Very low62 Ų62109.3 Ų109.364%0.63971%0.71SS**  trans94.3151.2165.800000114.1
669P49.2Very low42.9Very low55 Ų55108.6 Ų108.636%0.35772%0.722SS.*  cis-142.869.121.343.9-24000111.5G671 P672 D673 G674P669-G671 PolarHBondContact O-N 3.38Å; P669-P672 CarbonylContact O-C 3.21Å; P669-D673 CarbonylContact O-C 2.91Å; P669-D673 WeakPolarHBondContact O-CA 3.34Å; P669-D673 PolarHBondContact O-N 2.95Å; P669-G674 VanDerWaalsContact CG-N 3.3Å; P669-G674 PolarHBondContact O-N 3.14Å
670P49.2Very low43Very low123 Ų123111.1 Ų111.180%0.79975%0.748SS**  trans-86.447.8-163.135.4-35.4000112.1
671G51.6Low43.3Very low71 Ų71112.1 Ų112.173%0.73275%0.753SS**SBendtrans-72.1-26.6-178.600000119.3P669 D673P669-G671 PolarHBondContact O-N 3.38Å; G671-D673 VanDerWaalsContact CA-N 3.34Å; G671-D673 VanDerWaalsContact N-N 3.17Å
672P48.8Very low43.3Very low118 Ų118112.7 Ų112.777%0.76675%0.754SS**SBendcis-75.70.119.3-21.637.3000117.8P669P669-P672 CarbonylContact O-C 3.21Å
673D46.1Very low43.4Very low142 Ų142112.5 Ų112.576%0.75975%0.752SS**  trans-107.6150.9-169-78.4-4.9000116.2P669 G671P669-D673 CarbonylContact O-C 2.91Å; P669-D673 WeakPolarHBondContact O-CA 3.34Å; P669-D673 PolarHBondContact O-N 2.95Å; G671-D673 VanDerWaalsContact CA-N 3.34Å; G671-D673 VanDerWaalsContact N-N 3.17Å
674G36.3Very low43.2Very low45 Ų45119.5 Ų119.546%0.46476%0.757SS.*  cis-172.4-4.9-13.200000117P669 R676P669-G674 VanDerWaalsContact CG-N 3.3Å; P669-G674 PolarHBondContact O-N 3.14Å; G674-R676 PolarHBondContact O-N 3.34Å
675E37.3Very low43.2Very low186 Ų186124.3 Ų124.387%0.86976%0.759SS**  trans-3.480.2-153.8-82.3-147.8172.400116.7
676R38.8Very low43.3Very low247 Ų247124.3 Ų124.393%0.93276%0.759SS**  trans-116.6122.7146.6-174.6-169.7-63-171.11.3106.2G674G674-R676 PolarHBondContact O-N 3.34Å
677G42.7Very low43.2Very low64 Ų64129.2 Ų129.266%0.6676%0.762SS**  cis-161.1-178.31.500000112.2
678P39Very low42.5Very low118 Ų118127 Ų12777%0.76676%0.762SS**  trans-110174.6-14240.7-38.4000116.3
679S42Very low41.9Very low117 Ų117127.5 Ų127.582%0.81877%0.766SS**  trans98.1117.8143.8-60.10000120.5
680G37.2Very low41.7Very low74 Ų74130.7 Ų130.776%0.76378%0.781SS**  trans96.1127.6147.200000115.3
681L38.8Very low41.4Very low161 Ų161134.6 Ų134.684%0.84379%0.785SS**  cis-152.9156.76.6-98.5168.3000110.5
682T43.6Very low40.8Very low133 Ų133133.8 Ų133.882%0.81678%0.777SS**  trans22.7135.3154.450.30000121.3
683G41.5Very low40.4Very low74 Ų74135.9 Ų135.976%0.76378%0.782SS**  cis179.4170.68.300000116.2
684R34.2Very low40.1Very low248 Ų248137.4 Ų137.494%0.93679%0.788SS**  trans-62.3161.2179.1-60.7167.2162.4-177.4-7.4112
685R38.3Very low40.1Very low244 Ų244138.7 Ų138.792%0.92180%0.801SS**  161133.591.4-174-179.4-155.9-171.67.1115
686G42.9Very low41.1Very low69 Ų69135.5 Ų135.571%0.71180%0.797SS**  trans79.4178.4149.800000115.4
687R43Very low41.8Very low242 Ų242129.6 Ų129.691%0.91379%0.791SS**  cis-151.5163.6-22.8-144.5178.7-175.8-164.6-0.3105.8
688G43.1Very low41.8Very low75 Ų75128.8 Ų128.877%0.77378%0.782SS**  trans-93.3145.3-167.800000115D690G688-D690 VanDerWaalsContact C-OD2 3.31Å
689G37.4Very low42.2Very low71 Ų71128.5 Ų128.573%0.73278%0.783SS**  trans146.2-126.1173.100000110.4
690D44.7Very low42.5Very low123 Ų123126.9 Ų126.966%0.65877%0.769SS**  trans68.763.3131-42.3-25.5000114.9G688G688-D690 VanDerWaalsContact C-OD2 3.31Å
691K41.8Very low42.8Very low204 Ų204126 Ų12689%0.88776%0.761SS**  77.1126.253.1-158.3-179.6-179-177.10111.7
692G39.3Very low43.2Very low55 Ų55124.7 Ų124.757%0.56775%0.75SS**  trans-74.1166.5-159.200000117.9
693D39.9Very low42.9Very low162 Ų162124.6 Ų124.687%0.86675%0.75SS**  trans62.5131.2148.3-37.4-40.4000116.8
694I40.1Very low42.8Very low173 Ų173124.3 Ų124.389%0.88775%0.747SS**  cis-165.3145.430.2-60.9174.3000111.7
695G36.7Very low43.3Very low72 Ų72122.6 Ų122.674%0.74275%0.749SS**  trans103.4134.313900000124.8
696P58.9Low43.5Very low119 Ų119119.3 Ų119.377%0.77374%0.744SS**  trans-115.2167.6178.642.7-34.4000116.8
697P52Low43Very low124 Ų124118.8 Ų118.881%0.80574%0.739SS**  -162.4160.5116.140.1-20.2000118.6
698G43.7Very low42.7Very low46 Ų46114.8 Ų114.847%0.47473%0.731SS.*SBendtrans103.1127161.300000119.6P700G698-P700 VanDerWaalsContact C-CA 3.42Å; G698-P700 VanDerWaalsContact C-CB 3.48Å; G698-P700 CarbonylContact C-O 3.54Å; G698-P700 VanDerWaalsContact C-O 3.27Å; G698-P700 WeakPolarHBondContact CA-O 3.35Å; G698-P700 WeakPolarHBondContact O-CB 3.49Å
699S46.9Very low42.6Very low113 Ų113122.2 Ų122.279%0.7974%0.735SS**SBendtrans60.515.3-16776.90000123.5
700P48.2Very low42.4Very low82 Ų82122.6 Ų122.653%0.53274%0.739SS.*  cis38.6-178.1-1-29.2-0.7000122.6G698 E702G698-P700 VanDerWaalsContact C-CA 3.42Å; G698-P700 VanDerWaalsContact C-CB 3.48Å; G698-P700 CarbonylContact C-O 3.54Å; G698-P700 VanDerWaalsContact C-O 3.27Å; G698-P700 WeakPolarHBondContact CA-O 3.35Å; G698-P700 WeakPolarHBondContact O-CB 3.49Å; P700-E702 VanDerWaalsContact CA-N 3.28Å; P700-E702 VanDerWaalsContact CD-OE2 3.32Å; P700-E702 WeakPolarHBondContact CD-OE2 3.27Å
701G44.2Very low42.1Very low57 Ų57121.4 Ų121.459%0.58875%0.747SS**SBendcis-74.669.3-22.800000109.2
702E47.3Very low42.3Very low132 Ų132116.4 Ų116.462%0.61774%0.735SS**  trans-95.7144.5-159.1-75.1158.5-168.100111.3P700P700-E702 VanDerWaalsContact CA-N 3.28Å; P700-E702 VanDerWaalsContact CD-OE2 3.32Å; P700-E702 WeakPolarHBondContact CD-OE2 3.27Å
703T36.4Very low42.2Very low131 Ų131116.6 Ų116.680%0.80474%0.737SS**SBendcis-134.8110.8-32.1-70.30000107.2
704G40.9Very low42.7Very low68 Ų68113.6 Ų113.670%0.70173%0.726SS**  trans7094.9152.800000118.4Q706G704-Q706 PolarHBondContact O-N 2.68Å
705Q44.1Very low42.6Very low212 Ų212116.1 Ų116.199%0.99173%0.725SS**  trans-68.3112.1141.6-92.6-166.9-3.300109.3
706Q41.5Very low43Very low175 Ų175115.4 Ų115.482%0.81872%0.717SS**  trans-128.3129.8151-174.1177.41.700105.9G704G704-Q706 PolarHBondContact O-N 2.68Å
707G32.8Very low42.5Very low59 Ų59115.6 Ų115.661%0.60872%0.719SS**  cis113.854.79.600000112.1
708Q36.6Very low42.1Very low157 Ų157114.7 Ų114.773%0.73471%0.713SS**  trans-168.8126.6147.4-109.5163.975.400113.8
709R41.4Very low41.7Very low231 Ų231115.9 Ų115.987%0.87273%0.725SS**  trans49.7114.8134-166.1-175.1-63.2177.61118.1
710G34Very low41.6Very low79 Ų79122 Ų12281%0.81473%0.731SS**  cis125.7132.41.100000112.8
711A37.7Very low41Very low99 Ų99128.4 Ų128.482%0.81875%0.751SS**  trans-138.8143.716300000109.9
712P45.2Very low40.8Very low99 Ų99128.3 Ų128.364%0.64375%0.75SS**  trans-102.4167.4-155.3-0.223.4000114.7
713G37.8Very low40.9Very low58 Ų58127.5 Ų127.560%0.59876%0.756SS**  trans-82.8-152.8166.800000114.1
714P51.3Low41Very low99 Ų99127.8 Ų127.864%0.64376%0.76SS**  -113.5166.6-106.438.7-35.2000114.8
715R37.1Very low40.7Very low226 Ų226127.1 Ų127.185%0.85375%0.753SS**  trans-138.8117.2157.3-177.8163.2-174.5-179.64.1111.9
716G44.2Very low40.3Very low57 Ų57126.8 Ų126.859%0.58875%0.754SS**PPolyproline II helixtrans-69.8166.1165.300000112.6
717P49.6Very low39.9Very low124 Ų124128.3 Ų128.381%0.80576%0.758SS**PPolyproline II helixtrans-82.4142-14931.1-37.1000115.1
718P42.3Very low40Very low104 Ų104128.7 Ų128.768%0.67576%0.763SS**PPolyproline II helixtrans-75.5134.1147.4-12.530.1000109.9
719G36.3Very low39.8Very low71 Ų71129.4 Ų129.473%0.73277%0.771SS**PPolyproline II helixtrans-84.1161.1-171.100000115.6
720R44.3Very low39.8Very low241 Ų241123.4 Ų123.491%0.90977%0.771SS**  trans14.9120151.7-70.3178.4169.8-179.3-4117.4
721F36.2Very low39.8Very low217 Ų217123.2 Ų123.295%0.95277%0.769SS**  -92.9148.5120.4-96.5-87.9000110.5
722G39.4Very low39.8Very low56 Ų56124.3 Ų124.358%0.57777%0.768SS**  trans-80.9-173-169.400000114.8
723P49.6Very low39.5Very low115 Ų115126.5 Ų126.575%0.74778%0.779SS**  trans-82152.4-162.733.8-36.5000112.9G725P723-G725 PolarHBondContact O-N 3.25Å; P723-G725 VanDerWaalsContact O-N 3.1Å
724P38.6Very low39.9Very low137 Ų137127.1 Ų127.189%0.8979%0.786SS**  trans-64.1102.5145.6-10.527.8000107
725G34.4Very low39.4Very low54 Ų54128.5 Ų128.556%0.55780%0.795SS**  trans-71.7163.7-173.100000113.5P723 K727P723-G725 PolarHBondContact O-N 3.25Å; P723-G725 VanDerWaalsContact O-N 3.1Å; G725-K727 PolarHBondContact O-N 3.35Å; G725-K727 VanDerWaalsContact O-N 3.08Å
726M35.2Very low39.5Very low205 Ų205124.8 Ų124.8100%1.0180%0.796SS**  trans-63.2109.7161.8-67.6-179.774.300109.1
727K34.6Very low39.3Very low206 Ų206125.3 Ų125.390%0.89680%0.802SS**  trans-158.2127.1169.7-175-172.9-178.9-170.40106.4G725G725-K727 PolarHBondContact O-N 3.35Å; G725-K727 VanDerWaalsContact O-N 3.08Å
728G33.8Very low38.8Very low68 Ų68125.5 Ų125.570%0.70181%0.806SS**  cis173151.5-2.400000106.3
729D33.9Very low38.5Very low171 Ų171127.6 Ų127.691%0.91482%0.817SS**  trans-66.8152.8-172.9-78.6-54.6000114.3
730A40.6Very low38.8Very low106 Ų106127.1 Ų127.188%0.87681%0.812SS**  trans78.1129.7164.400000120.4
731G33Very low38.5Very low74 Ų74121.5 Ų121.576%0.76381%0.807SS**  trans159.5113.1166.800000113.9
732P37.8Very low38.5Very low123 Ų123118.9 Ų118.980%0.79980%0.801SS**  trans-94.7143.5-173.834.6-34.3000116.7
733V39.1Very low38.5Very low145 Ų145119.2 Ų119.288%0.87981%0.805SS**  trans56.5114.5148.1-173.20000122.5
734G46Very low37.5Very low71 Ų71122 Ų12273%0.73281%0.808SS**  trans77.8165.814100000119.6
735P42.3Very low37.3Very low128 Ų128123.5 Ų123.583%0.83180%0.803SS**  cis-134.3-174.71.542.5-24.4000117.2
736V38.1Very low37.3Very low147 Ų147124.1 Ų124.189%0.89181%0.809SS**  trans-39.7155.2171-176.80000116
737G40.1Very low37Very low68 Ų68121.4 Ų121.470%0.70180%0.798SS**  cis145.6172.20.600000112.6
738S39.5Very low37.1Very low128 Ų128120.8 Ų120.890%0.89580%0.798SS**  trans-160.2163.6165.661.50000112.6
739V36.4Very low37.3Very low149 Ų149120.7 Ų120.790%0.90380%0.797SS**  trans-138.6148.3-152.3171.10000114.9
740G42.5Very low37.9Very low61 Ų61118.4 Ų118.463%0.62979%0.792SS**  trans100.6160.7147.300000117.4
741P38Very low38Very low123 Ų123120.6 Ų120.680%0.79979%0.794SS**  cis-99.3166.11.139.9-33.4000112.9
742I36.4Very low38.2Very low161 Ų161120 Ų12083%0.82679%0.788SS**  cis78.5131.137.4-62.5179.5000115
743G37.9Very low38.7Very low64 Ų64120.2 Ų120.266%0.6679%0.789SS**  trans11896178.400000111.7
744E29.9Very low39.2Very low174 Ų174119.4 Ų119.481%0.81379%0.787SS**  cis55.8133.845.1-63.2-159.5143.500112.7
745Q34Very low39Very low167 Ų167119.2 Ų119.278%0.7879%0.785SS**  cis-162157.49.8-151.9-179.3-0.900112.1
746G34Very low39Very low67 Ų67119.4 Ų119.469%0.69179%0.787SS**  trans91.4162.7142.900000119.3
747L29.5Very low39.7Very low148 Ų148120.7 Ų120.778%0.77579%0.787SS**  cis-168139.6-5.1-112.4169.4000109.7
748Q36.6Very low40Very low194 Ų194120.1 Ų120.191%0.90778%0.781SS**  trans64.1154154.6-135.8160.239.400116.9
749G37.7Very low40.7Very low66 Ų66119.9 Ų119.968%0.6878%0.776SS**  cis-169-173.34.100000110.8
750P46.1Very low41.9Very low123 Ų123118.9 Ų118.980%0.79977%0.773SS**  trans-112.3156.2-145.139.5-34.6000117.5
751V42.1Very low42.1Very low151 Ų151119.2 Ų119.292%0.91578%0.776SS**  trans-144.1148.4152.8-179.50000110
752G37.8Very low42.2Very low63 Ų63119.2 Ų119.265%0.64978%0.779SS**  trans-88-165.3-17800000116.7
753P49.7Very low42.6Very low127 Ų127118.2 Ų118.283%0.82578%0.781SS**  trans-103.7163.5-149.139.2-37.7000116.2
754P48.3Very low42.9Very low127 Ų127118.6 Ų118.683%0.82579%0.785SS**  trans-102.9149.5142.6-9.829.1000112.7
755G43Very low43.1Very low68 Ų68122.2 Ų122.270%0.70179%0.791SS**  trans-78.3-176172.800000114.2
756P42.1Very low43.2Very low132 Ų132123.4 Ų123.486%0.85780%0.797SS**PPolyproline II helixtrans-80.8149.2-16632.6-36.3000114.2
757I52.4Low43.6Very low174 Ų174123.6 Ų123.689%0.89280%0.798SS**PPolyproline II helixtrans-94.3116.5152.9-64.9175.3000106.5
758G45.7Very low44.2Very low56 Ų56122.5 Ų122.558%0.57780%0.8SS**PPolyproline II helixtrans-81.9151.717700000112.3
759P54.5Low44.5Very low123 Ų123119 Ų11980%0.79979%0.792SS**PPolyproline II helixtrans-66.7152.616030.4-32.6000110
760P62.5Low44.3Very low127 Ų127119.2 Ų119.283%0.82579%0.794SS**PPolyproline II helixtrans-59.2149.6-171.3-26.135.5000114.5
761G45.5Very low44Very low69 Ų69122.7 Ų122.771%0.71180%0.797SS**PPolyproline II helixtrans-62.4142.8171.900000112.2T763G761-T763 PolarHBondContact O-N 3Å; G761-T763 VanDerWaalsContact O-N 3.13Å
762S41.3Very low44.3Very low122 Ų122121 Ų12185%0.85379%0.789SS**  trans-64108170.353.90000110.6G764S762-G764 PolarHBondContact O-N 3.3Å
763T43.9Very low44.8Very low141 Ų141121.3 Ų121.387%0.86579%0.791SS**  trans-60.8132173-44.20000110.3G761G761-T763 PolarHBondContact O-N 3Å; G761-T763 VanDerWaalsContact O-N 3.13Å
764G43.8Very low44.6Very low72 Ų72121.4 Ų121.474%0.74279%0.792SS**  trans25.3103.115800000119.2S762S762-G764 PolarHBondContact O-N 3.3Å
765R34.8Very low44.3Very low250 Ų250126.2 Ų126.294%0.94379%0.794SS**  trans-99.7106.7153.1-159.4-176.1-163-171.36.1108.3
766E35.7Very low44.4Very low192 Ų192126.3 Ų126.390%0.89780%0.795SS**  trans-99.1144160.5-73.4-165.9135.200109.8
767G41.9Very low44.2Very low70 Ų70128.8 Ų128.872%0.72280%0.795SS**  trans-89.3-163.4-177.300000113.2
768P43Very low44Very low125 Ų125126.2 Ų126.281%0.81279%0.79SS**  -137.9141.761.628.9-9.1000117.4
769V42.8Very low43.9Very low122 Ų122127.3 Ų127.374%0.73980%0.801SS**  trans49.3118138.1-169.90000120F771V769-F771 HydrophobicContact CG1-CE2 4.26Å
770G34.1Very low43.2Very low70 Ų70130.8 Ų130.872%0.72281%0.807SS**  trans-106.9171.6155.500000112.5
771F38.4Very low42.2Very low196 Ų196136.2 Ų136.286%0.8681%0.811SS**  trans-119.3156.9171.3-82.8-73000110.6V769V769-F771 HydrophobicContact CG1-CE2 4.26Å
772P48.7Very low42.3Very low116 Ų116135.7 Ų135.775%0.75381%0.805SS**  trans-101.3151.5-135.1-4.225.7000115
773G48.1Very low42.2Very low68 Ų68136.2 Ų136.270%0.70181%0.806SS**  trans-84.8139.2168.800000112.8R775G773-R775 PolarHBondContact O-N 2.99Å
774P46.5Very low42.2Very low130 Ų130134.4 Ų134.484%0.84481%0.805SS**  trans-75.1110.6174.229.2-32.5000112
775R40.7Very low42Very low227 Ų227134.3 Ų134.386%0.85780%0.804SS**  trans22.4108.5146.1-170.9175.9-172.51640.9117.8G773G773-R775 PolarHBondContact O-N 2.99Å
776G45.2Very low42.1Very low71 Ų71132 Ų13273%0.73280%0.804SS**PPolyproline II helixtrans-72.1149.6155.600000111.9
777E38.4Very low42.5Very low183 Ų183128.8 Ų128.886%0.85580%0.8SS**PPolyproline II helixtrans-77.5158.1172.4-70.3-163.2132.600112
778P47.6Very low42.3Very low121 Ų121129.5 Ų129.579%0.78681%0.808SS**PPolyproline II helixtrans-68.1137.8-170.1-19.333.3000113.4
779G44.8Very low42Very low78 Ų78129.1 Ų129.180%0.80481%0.808SS**PPolyproline II helixtrans-66.7140.2169.500000112.1
780E39.2Very low41.6Very low197 Ų197131.6 Ų131.692%0.92182%0.816SS**PPolyproline II helixtrans-62.6140.7-178.2-66.6-172.113200112.8G782E780-G782 PolarHBondContact O-N 3.25Å
781R42.4Very low41.6Very low241 Ų241131.2 Ų131.291%0.90981%0.813SS**  trans-73.6113.9176.9176.7-177.1-68.6-175.5-2.4109.9
782G47.1Very low41.5Very low58 Ų58129.7 Ų129.760%0.59881%0.813SS**PPolyproline II helixtrans-58.2147.1169.200000112.6E780 A784E780-G782 PolarHBondContact O-N 3.25Å; G782-A784 PolarHBondContact O-N 3.4Å
783P39.6Very low41.1Very low133 Ų133131.2 Ų131.286%0.86482%0.82SS**PPolyproline II helixtrans-71.5130.1-172.128.1-34.7000112.5
784A43Very low40.6Very low102 Ų102131 Ų13184%0.84382%0.818SS**PPolyproline II helixtrans-79137.416600000110.1G782G782-A784 PolarHBondContact O-N 3.4Å
785G39.9Very low40.2Very low71 Ų71130.9 Ų130.973%0.73282%0.817SS**PPolyproline II helixtrans-68.2151.7-174.900000114.3P787G785-P787 WeakPolarHBondContact O-CD 3.5Å
786Q37.9Very low40.9Very low201 Ų201126.6 Ų126.694%0.93982%0.819SS**PPolyproline II helixtrans-69.9138.6174.3-70.9179.1-25.800112.3
787P43Very low40.7Very low124 Ų124126.5 Ų126.581%0.80582%0.818SS**  trans-123.7128.5156.612.410.1000113.1G785G785-P787 WeakPolarHBondContact O-CD 3.5Å
788G39.3Very low40.7Very low86 Ų86124.3 Ų124.389%0.88782%0.82SS**  trans74.7144.913900000119.7
789S34.9Very low40.9Very low117 Ų117126.8 Ų126.882%0.81883%0.825SS**  trans-117.9145.3-170.853.30000115.5
790L36.2Very low40.8Very low173 Ų173126 Ų12691%0.90682%0.816SS**  trans78.8128.3140.2-153.577.7000122.7
791G33.7Very low40.7Very low63 Ų63124 Ų12465%0.64981%0.812SS**  trans99143.9143.300000117
792N35.2Very low41.2Very low164 Ų164118.6 Ų118.688%0.87781%0.808SS**  cis-151.7163.1-4.3-89.4-25.4000110.5
793T40.7Very low40.8Very low147 Ų147119.4 Ų119.490%0.90282%0.816SS**  trans-68.5151.3-173.7-420000115.9
794G38.1Very low40.8Very low63 Ų63119.8 Ų119.865%0.64982%0.819SS**  trans-148.6146.9162.800000112
795P37.8Very low41Very low128 Ų128123.6 Ų123.683%0.83182%0.819SS**  trans-92.8165.6-158.336.5-37.6000116.3
796P55.9Low40.9Very low137 Ų137123.5 Ų123.589%0.8982%0.818SS**  trans-97.7162.9-168.638.1-37.4000116.7
797G39.7Very low40.9Very low70 Ų70123.7 Ų123.772%0.72282%0.819SS**  trans149.1168.6160.400000113
798P39.7Very low40.7Very low136 Ų136127.5 Ų127.588%0.88383%0.826SS**  cis-123.7-174.1-19.738.9-22.7000112.9
799I51.7Low40.8Very low173 Ų173126.5 Ų126.589%0.88782%0.816SS**  trans-92.4151.7-179.7-72.9170.5000112.5
800G42.1Very low41.1Very low61 Ų61127.3 Ų127.363%0.62982%0.819SS**  trans158.4153.3154.300000111.8
801D37.1Very low41.3Very low156 Ų156126.3 Ų126.383%0.83482%0.819SS**  cis-156.4162.8-23.3-97.5-33.3000108
802P52.6Low41.8Very low127 Ų127126.4 Ų126.483%0.82582%0.82SS**  trans-108.6158.9-158.338.4-33.9000118.5
803G38.8Very low42.3Very low75 Ų75125 Ų12577%0.77382%0.82SS**  trans119164.1161.600000115.7
804P40.5Very low42.2Very low141 Ų141124.9 Ų124.992%0.91682%0.819SS**  cis-130.1-166.41.241.6-23.5000115.2
805E46.8Very low42.5Very low183 Ų183124.9 Ų124.986%0.85582%0.82SS**  trans-115.2154-166.6-177.3178.3-147.900114.6
806G37.4Very low42.7Very low68 Ų68124.6 Ų124.670%0.70182%0.817SS**  trans141.4146.8170.900000113.3
807Q37.6Very low41.9Very low206 Ų206124.6 Ų124.696%0.96382%0.815SS**  cis-145.6177.812.7-65.5178.3-10.800112
808Q39.7Very low42Very low203 Ų203124.7 Ų124.795%0.94982%0.817SS**  trans-130.8150.6-170.3-176.2-172.217.300113.6
809G40.2Very low41.7Very low66 Ų66125.5 Ų125.568%0.6881%0.813SS**  trans147.2162.1159.300000114.4
810P41.7Very low41.5Very low134 Ų134122.5 Ų122.587%0.8781%0.805SS**  cis-124.6-171.74.341-25000115.1
811V40.5Very low41.5Very low151 Ų151122.9 Ų122.992%0.91581%0.809SS**  trans-133.6151.6-169.6168.30000112.8
812G45.1Very low41.7Very low65 Ų65123.6 Ų123.667%0.6781%0.805SS**  trans117.5156.9158.300000115.5
813P44.6Very low41.2Very low134 Ų134124.8 Ų124.887%0.8780%0.804SS**  cis-132-164.223.841.5-23.5000116.4
814T38.1Very low41.2Very low145 Ų145124.3 Ų124.389%0.8980%0.799SS**  trans-134.6149.7-159.7-59.70000114.5
815G44.3Very low41Very low64 Ų64126.4 Ų126.466%0.6680%0.799SS**  trans86.3162.1160.100000116.3
816P43.3Very low41Very low121 Ų121123.4 Ų123.479%0.78680%0.795SS**  cis-108.81587.137.5-25.6000113.8
817T38.7Very low41Very low137 Ų137123.7 Ų123.784%0.8480%0.798SS**  78.4120.754.3-48.10000114.9
818G41.7Very low41.1Very low73 Ų73124.1 Ų124.175%0.75379%0.791SS**  trans164.176.3174.300000116.1
819D34.2Very low40.8Very low152 Ų152120.9 Ų120.981%0.81378%0.78SS**  trans-65.5177.8167.2-60.3-72.2000112.5
820P47.5Very low40.5Very low110 Ų110121.3 Ų121.371%0.71478%0.784SS**  cis-133.8154.87.736.5-16.3000116.1
821G41.1Very low40.1Very low69 Ų69124.1 Ų124.171%0.71179%0.786SS**  103.1162.891.600000111.3
822K41.5Very low40.5Very low171 Ų171123.2 Ų123.274%0.74378%0.783SS**  cis-147.9126.79.8-72.5-172.2-175.71780108.5
823D43Very low40.2Very low153 Ų153123.7 Ų123.782%0.81879%0.787SS**  79.3138.4106-56-26000113.5
824G38.5Very low39.7Very low64 Ų64124 Ų12466%0.6679%0.79SS**  cis162.3132-6.300000113.2
825M34.8Very low40.3Very low186 Ų186127.4 Ų127.492%0.91679%0.792SS**  trans66173.1135.8-63.9-169.1168.100119.7
826P47.1Very low40.1Very low120 Ų120127.6 Ų127.678%0.77979%0.794SS**  cis-112.3161.8-19.18.116.7000111.4
827G38.8Very low39.5Very low73 Ų73129 Ų12975%0.75380%0.8SS**  94.314564.700000110.1
828R38.3Very low39.5Very low215 Ų215134.2 Ų134.281%0.81180%0.804SS**  cis-157.7151.920.6-74.2-175.596.4146.910.2112.5
829D33Very low39.3Very low136 Ų136133.6 Ų133.673%0.72780%0.798SS**  37.5128.7127-35-30.4000117.7
830G35Very low39.3Very low74 Ų74132.1 Ų132.176%0.76380%0.8SS**  cis136.4167.243.400000106.6
831Q32.5Very low39.1Very low194 Ų194132.9 Ų132.991%0.90781%0.805SS**  cis-149.5168.1-1.9-75.8177.6-22.400107.7
832P49.6Very low38.7Very low132 Ų132132.9 Ų132.986%0.85780%0.804SS**  trans-99.6152.9-177.636.7-33.9000116.2
833G39.7Very low38.2Very low74 Ų74131.3 Ų131.376%0.76381%0.809SS**  trans126.5158.7160.800000115.2
834P34.1Very low37.6Very low141 Ų141132.2 Ų132.292%0.91681%0.813SS**  cis-123.6-160.42.941.1-24.8000113.9
835K48.8Very low37.4Very low216 Ų216132 Ų13294%0.93981%0.811SS**  trans-139.6140.5-169.4-165.4-176.9-171.1-179.10113.3
836G40.6Very low37.3Very low69 Ų69131.3 Ų131.371%0.71181%0.811SS**  trans114.1151.6170.500000114.7
837V32Very low36.7Very low149 Ų149134.3 Ų134.390%0.90381%0.814SS**  cis-151162.511.6-158.50000112.3
838R38.4Very low36.6Very low247 Ų247134.6 Ų134.693%0.93282%0.817SS**  trans-41.4152.4167.8170.7-164.4-88.2179.2-9.7115.2
839G37Very low36.5Very low61 Ų61130.9 Ų130.963%0.62982%0.818SS**  cis158171.1-500000114.2
840S33.2Very low36.6Very low121 Ų121136.2 Ų136.285%0.84683%0.828SS**  trans71.9164.8167.582.80000120.1
841P43.2Very low36.6Very low126 Ų126136 Ų13682%0.81883%0.825SS**  cis-137.8166.4-48.536.5-19.9000116
842G33.3Very low36.5Very low68 Ų68136.4 Ų136.470%0.70183%0.825SS**  trans134.5110.6139.300000122.8
843V30.5Very low36.2Very low139 Ų139136 Ų13684%0.84282%0.822SS**  trans74.8126.3131.1-177.40000122.6
844L31.5Very low36.2Very low172 Ų172135.4 Ų135.490%0.90182%0.816SS**  trans40.8138.4158.1-99.861.2000120.5
845G33.7Very low36.3Very low60 Ų60138.6 Ų138.662%0.61982%0.816SS**  cis146.2145.7-0.700000111
846N34Very low35.6Very low171 Ų171136 Ų13691%0.91481%0.813SS**  trans-176.8149.9145.2-93.8-26.2000113.4
847Q32.6Very low35.5Very low182 Ų182135.8 Ų135.885%0.8581%0.81SS**  trans-65.5154.9-158.6-64.5166.3-41.500118.3
848G37.8Very low35.8Very low79 Ų79136.1 Ų136.181%0.81480%0.804SS**  trans-160.394.7152.100000110.7
849V36.1Very low36Very low137 Ų137130.5 Ų130.583%0.8380%0.799SS**  trans-85.3117.2-173.5-166.70000110.9
850R34.5Very low36Very low249 Ų249130.8 Ų130.894%0.9480%0.802SS**  trans-160.1134.4160.7-140.4174.4-158.9-173.65.3116
851G35Very low36.3Very low68 Ų68136.2 Ų136.270%0.70180%0.804SS**  trans92.6115.6155.700000114.8
852F31.4Very low36.2Very low203 Ų203136.2 Ų136.289%0.8980%0.804SS**PPolyproline II helixtrans-55.4131.4159.9-75.8-98.5000108.9G854F852-G854 PolarHBondContact O-N 2.8Å; F852-G854 VanDerWaalsContact O-N 3.12Å
853P43Very low36.5Very low123 Ų123135.5 Ų135.580%0.79980%0.797SS**PPolyproline II helixtrans-55.3117.5151.3-17.931.8000106.7
854G38.5Very low37Very low62 Ų62135 Ų13564%0.63980%0.796SS**PPolyproline II helixtrans-57.4148.8168.300000108.7F852 D856F852-G854 PolarHBondContact O-N 2.8Å; F852-G854 VanDerWaalsContact O-N 3.12Å; G854-D856 PolarHBondContact O-N 3.27Å; G854-D856 VanDerWaalsContact O-N 3.14Å
855F36.1Very low37.4Very low208 Ų208131.4 Ų131.491%0.91279%0.791SS**  trans-44.4125.3176.8-78.5-93000110.3G857F855-G857 PolarHBondContact O-N 2.97Å
856D36Very low37.8Very low163 Ų163132 Ų13287%0.87280%0.797SS**  trans-53.2107.9162.7-74.5-45.9000106.5G854 M858G854-D856 PolarHBondContact O-N 3.27Å; G854-D856 VanDerWaalsContact O-N 3.14Å; D856-M858 PolarHBondContact O-N 3.33Å
857G38.6Very low37.9Very low64 Ų64131.1 Ų131.166%0.6680%0.797SS**  trans-55.8142176.600000108.1F855F855-G857 PolarHBondContact O-N 2.97Å
858M36.8Very low38.1Very low156 Ų156132 Ų13277%0.76880%0.798SS**  trans-44.8134.1169.3-61.117986.300107.9D856 G860D856-M858 PolarHBondContact O-N 3.33Å; M858-G860 PolarHBondContact O-N 3.06Å
859P43.4Very low38.3Very low129 Ų129131.8 Ų131.884%0.83880%0.797SS**  trans-46.9115.6171.7-27.334.1000107.1R861P859-R861 PolarHBondContact O-N 3.22Å
860G37.5Very low38.1Very low66 Ų66133 Ų13368%0.6879%0.793SS**  trans-51.7134.2-174.200000107.4M858 P862M858-G860 PolarHBondContact O-N 3.06Å; G860-P862 VanDerWaalsContact O-N 3.11Å
861R38.1Very low38.3Very low236 Ų236130 Ų13089%0.89180%0.795SS**  trans-45130.2164.7-73.4-174.6177.5-162.11105.6P859 G863P859-R861 PolarHBondContact O-N 3.22Å; R861-G863 PolarHBondContact O-N 3.47Å
862P42Very low38.8Very low125 Ų125130.1 Ų130.181%0.81280%0.796SS**  trans-45.6118.6170.3-27.434.5000106.4G860G860-P862 VanDerWaalsContact O-N 3.11Å
863G40Very low39.4Very low54 Ų54124.1 Ų124.156%0.55778%0.778SS**PPolyproline II helixtrans-55151.2178.600000107.7R861 A865R861-G863 PolarHBondContact O-N 3.47Å; G863-A865 PolarHBondContact O-N 3.38Å
864P39.6Very low39.1Very low129 Ų129125.1 Ų125.184%0.83878%0.776SS**SBendtrans-48.5127.2159.525.7-33.1000106.3G866P864-G866 PolarHBondContact O-N 2.94Å
865A40.6Very low38.9Very low96 Ų96125.1 Ų125.179%0.79378%0.776SS**PPolyproline II helixtrans-49.4122.4-173.300000108.2G863 V867G863-A865 PolarHBondContact O-N 3.38Å; A865-V867 PolarHBondContact O-N 3.38Å
866G41.6Very low38.9Very low71 Ų71125.5 Ų125.573%0.73278%0.781SS**  trans-62.2108.6-16500000110.5P864 K868P864-G866 PolarHBondContact O-N 2.94Å; G866-K868 VanDerWaalsContact C-N 3.29Å; G866-K868 PolarHBondContact O-N 3.44Å
867V36.3Very low39.3Very low153 Ų153121.2 Ų121.293%0.92776%0.76SS**  trans-62.293.3167.3-85.80000108.3A865A865-V867 PolarHBondContact O-N 3.38Å
868K36.8Very low39.7Very low200 Ų200121.4 Ų121.487%0.8776%0.763SS**  trans-137.1100.9-179.8-170.9-176.9179.4-175.40111.7G866G866-K868 VanDerWaalsContact C-N 3.29Å; G866-K868 PolarHBondContact O-N 3.44Å
869G42.8Very low39.8Very low76 Ų76119.3 Ų119.378%0.78476%0.761SS**  trans86.784.9144.200000116.7
870E31.9Very low39.5Very low162 Ų162119.5 Ų119.576%0.75775%0.753SS**  trans-110.2125.8146.2-72.2-172.8149.700109
871L37.3Very low39.5Very low187 Ų187120.1 Ų120.198%0.97976%0.76SS**  trans-166.4123.4140.6-135.891000110
872G45.7Very low39.1Very low70 Ų70115.9 Ų115.972%0.72276%0.755SS**  trans140.289.5168.900000115.7
873P44.9Very low38.6Very low77 Ų77120 Ų12050%0.576%0.76SS.*  trans-90.8175.4165.742.2-36.4000110.3V877P873-V877 HydrophobicContact CB-CB 4.06Å; P873-V877 HydrophobicContact CB-CG1 3.62Å
874D37.3Very low38.6Very low143 Ų143121.1 Ų121.177%0.76577%0.771SS**  cis-135170.121-57.3-67.6000111
875G33.1Very low38Very low63 Ų63126.7 Ų126.765%0.64978%0.777SS**SBendcis-159.3167.6-0.200000109.2V877G875-V877 VanDerWaalsContact CA-N 3.27Å
876E36.7Very low37.6Very low215 Ų215131.5 Ų131.5100%1.00578%0.783SS**SBendcis-77.270.70.6-59.1179.7139.100111.3
877V43.8Very low37.3Very low73 Ų73130.7 Ų130.744%0.44278%0.775SS.*  trans-101.7137.4-161172.50000109.8P873 G875 P879P873-V877 HydrophobicContact CB-CB 4.06Å; P873-V877 HydrophobicContact CB-CG1 3.62Å; G875-V877 VanDerWaalsContact CA-N 3.27Å; V877-P879 VanDerWaalsContact O-CD 3.31Å; V877-P879 WeakPolarHBondContact O-CD 3.05Å
878G47.4Very low37.2Very low69 Ų69131.8 Ų131.871%0.71178%0.775SS**  trans-66.3131.6-177.600000113.7
879P38.9Very low37.4Very low111 Ų111127.1 Ų127.172%0.72177%0.768SS**  trans-106.2135.3162.14.218.5000110.9V877V877-P879 VanDerWaalsContact O-CD 3.31Å; V877-P879 WeakPolarHBondContact O-CD 3.05Å
880I36.5Very low37Very low133 Ų133126.8 Ų126.868%0.68277%0.765SS**  trans-63.4143.9-175.2-74.5165.4000113.6
881G37.4Very low37.1Very low79 Ų79127.6 Ų127.681%0.81477%0.772SS**  trans-153.3101.3167.300000111.6
882D30.4Very low37.2Very low148 Ų148125.9 Ų125.979%0.79176%0.763SS**  trans-75.2162.2-167.7-85.7-55.6000117
883K32.4Very low37Very low211 Ų211125.2 Ų125.292%0.91776%0.755SS**  trans100.6101.6141-136.2171.8-165.1173.20117.9
884G38.6Very low36.7Very low77 Ų77127.8 Ų127.879%0.79477%0.772SS**  trans-165.524.9173.100000115.2Q886G884-Q886 PolarHBondContact O-N 3.43Å; G884-Q886 VanDerWaalsContact O-N 3.16Å
885Y28.6Very low36.9Very low247 Ų247128.9 Ų128.997%0.96978%0.776SS**  trans-69.7106.6172.1-86.6-81.4000110.6
886Q32.1Very low37.3Very low197 Ų197128.7 Ų128.792%0.92177%0.774SS**  trans-151.3112.7152.6-168167.5-14.300111.7G884G884-Q886 PolarHBondContact O-N 3.43Å; G884-Q886 VanDerWaalsContact O-N 3.16Å
887G34.4Very low37.4Very low54 Ų54125 Ų12556%0.55777%0.769SS**  trans104.689.1164.500000115.9S889G887-S889 PolarHBondContact O-N 2.81Å; G887-S889 PolarHBondContact O-OG 3.02Å
888D34Very low37.4Very low175 Ų175128.7 Ų128.794%0.93679%0.792SS**  trans-68.285136.6-73.9-36.4000105.4
889S40.7Very low36.9Very low102 Ų102128.5 Ų128.571%0.71379%0.79SS**  67.984.178.4-66.70000110G887G887-S889 PolarHBondContact O-N 2.81Å; G887-S889 PolarHBondContact O-OG 3.02Å
890G34.6Very low36.9Very low69 Ų69129.8 Ų129.871%0.71180%0.798SS**PPolyproline II helixtrans-63.1149.2175.200000111.5I892G890-I892 PolarHBondContact O-N 3.22Å
891I34.3Very low37.3Very low179 Ų179132.6 Ų132.692%0.91881%0.811SS**PPolyproline II helixtrans-59.5124176-53.8174.9000108.1G893I891-G893 PolarHBondContact O-N 2.76Å
892I38.4Very low37.3Very low152 Ų152132.4 Ų132.478%0.77981%0.808SS**PPolyproline II helixtrans-61.7116.8-169.7-67.1163.3000110.7G890G890-I892 PolarHBondContact O-N 3.22Å
893G42.2Very low37.5Very low55 Ų55130.6 Ų130.657%0.56781%0.814SS**PPolyproline II helixtrans-75.6150.4158.500000110.5I891 I895I891-G893 PolarHBondContact O-N 2.76Å; G893-I895 PolarHBondContact O-N 3.43Å
894P39Very low38Very low131 Ų131130.8 Ų130.885%0.85181%0.809SS**PPolyproline II helixtrans-69.8130.3-17027-34.4000113.5
895I41.2Very low38.4Very low166 Ų166129.5 Ų129.585%0.85180%0.796SS**PPolyproline II helixtrans-69139.5157.5-57.1161.9000107G893G893-I895 PolarHBondContact O-N 3.43Å
896G41.9Very low39Very low59 Ų59119.2 Ų119.261%0.60876%0.759SS**  cis-168.4-167.7-2.300000107.8
897P37.6Very low40.1Very low138 Ų138113 Ų11390%0.89674%0.736SS**  -141.8164.787.437.2-22.6000115.3
898T44Very low40.4Very low151 Ų151112.3 Ų112.393%0.92673%0.729SS**  trans-86.7142-172.4-53.80000113.5
899G37.9Very low41.1Very low64 Ų64110.6 Ų110.666%0.6673%0.728SS**  trans148.7150.9145.500000115.7
900P39.1Very low41.4Very low138 Ų138111 Ų11190%0.89674%0.737SS**  cis-122.5172.2-15.338-22.6000113.9
901M45.2Very low41.7Very low193 Ų193111.1 Ų111.195%0.95174%0.738SS**  trans-94.5144.5179.2172.8-176.76700112
902G35.9Very low41.9Very low74 Ų74109.5 Ų109.576%0.76374%0.736SS**  trans169.5136164.300000112.1
903A34.9Very low41.8Very low111 Ų111112.4 Ų112.492%0.91774%0.743SS**  cis-144.3169-4.700000110.8
904R44.4Very low41.5Very low215 Ų215113 Ų11381%0.81175%0.749SS**  trans-107.9141.3-167.5171-176.7176.7-165.20113.5
905G45.1Very low41.5Very low50 Ų50115.1 Ų115.152%0.51575%0.753SS.*  trans100.7-162.113500000116.4
906P41.8Very low41.2Very low30 Ų30113.9 Ų113.920%0.19575%0.753CS.*  cis-111.9-158.1-0.321.9-2.5000114.5L993 P994 G995 Q996P906-L993 CarbonylContact O-C 2.97Å; P906-L993 WeakPolarHBondContact O-CA 3.4Å; P906-L993 WeakPolarHBondContact O-CB 3.07Å; P906-L993 WeakPolarHBondContact O-CD2 3.27Å; P906-P994 WeakPolarHBondContact O-CA 3.36Å; P906-P994 VanDerWaalsContact O-N 3.09Å; P906-G995 VanDerWaalsContact C-N 3.28Å; P906-G995 VanDerWaalsContact CB-N 3.28Å; P906-G995 VanDerWaalsContact CG-N 3.28Å; P906-Q996 HydrophobicContact CB-CB 3.8Å; P906-Q996 HydrophobicContact CB-CG 3.75Å; P906-Q996 VanDerWaalsContact CB-N 3.33Å; P906-Q996 HydrophobicContact CG-CB 3.77Å; P906-Q996 HydrophobicContact CG-CG 4.21Å; P906-Q996 VanDerWaalsContact CG-N 3.28Å
907P56.3Low41Very low67 Ų67114.2 Ų114.244%0.43576%0.756SS.*  trans-109.5149.2-170.84.418.5000120.6L993 P994 G995P907-L993 HydrophobicContact CB-CD2 3.71Å; P907-L993 HydrophobicContact CG-CD2 4.41Å; P907-P994 VanDerWaalsContact C-N 3.26Å; P907-P994 CarbonylContact O-C 3.56Å; P907-G995 VanDerWaalsContact CD-O 3.28Å; P907-G995 WeakPolarHBondContact CD-O 3.39Å; P907-G995 PolarHBondContact O-N 2.87Å
908G40.2Very low41.2Very low40 Ų40115.5 Ų115.541%0.41275%0.75SS.*  trans-106.9153.4-177.700000118
909P48.5Very low40.8Very low139 Ų139115.9 Ų115.990%0.90375%0.747SS**  trans-101.5173.3-164.139.4-37.2000117.6
910A46.9Very low40.7Very low110 Ų110116.2 Ų116.291%0.90975%0.75SS**  trans-126165.2-167.500000115.4
911G41.7Very low40.9Very low72 Ų72115.8 Ų115.874%0.74275%0.748SS**  trans174.135.8175.200000124.4
912V37.7Very low40.5Very low144 Ų144115.1 Ų115.187%0.87375%0.747SS**  trans22.9132.2152.5-66.20000125.7
913K36.7Very low40.3Very low213 Ų213114.7 Ų114.793%0.92674%0.742SS**  123.5130.2113.2-135.7177.9-174.8-1790121.9
914G36.7Very low40.4Very low67 Ų67116.9 Ų116.969%0.69174%0.738SS**  trans99.1148.8152.300000117.2
915L37.1Very low40Very low176 Ų176114.6 Ų114.692%0.92174%0.74SS**  cis-156.7-176-2.9-102.9171.6000111.3
916T36.8Very low39.5Very low141 Ų141115.3 Ų115.387%0.86575%0.747SS**  trans-104.2150.5-156-42.90000117.2
917G37.2Very low39.4Very low65 Ų65119.6 Ų119.667%0.6778%0.778SS**  trans126129.5135.400000119.8
918E40.7Very low38.4Very low166 Ų166122.6 Ų122.678%0.77680%0.797SS**  179.6162.3129.1-101-177.4172.400113.1
919D36.6Very low38.8Very low158 Ų158123.6 Ų123.685%0.84581%0.808SS**  trans-117.3155.1-154.1-66.5-71.7000117.5
920G36.3Very low38.3Very low72 Ų72123.2 Ų123.274%0.74281%0.805SS**  111.4160128.500000119.5
921P42.2Very low38.1Very low129 Ų129127.6 Ų127.684%0.83880%0.798SS**  cis-131.1176.8-4.541.1-24.3000116.4
922L36.3Very low38.1Very low178 Ų178127.2 Ų127.293%0.93280%0.795SS**  trans-76.1170.4176.4-54.591.8000112.3
923G33.2Very low38.2Very low65 Ų65126.1 Ų126.167%0.6779%0.79SS**  cis163.6-179.1-0.300000110.9
924L37Very low38.5Very low158 Ų158120.5 Ų120.583%0.82778%0.775SS**  trans175.2109.5160.2-95.6168.5000106.2
925I36.1Very low38.6Very low166 Ų166121 Ų12185%0.85178%0.781SS**  55.3124.373.3-60.1165.2000111.9
926G34.5Very low38.6Very low65 Ų65124.5 Ų124.567%0.6778%0.782SS**  cis-153.5-179-0.900000110.3
927S37.9Very low38.6Very low120 Ų120126.2 Ų126.284%0.83979%0.785SS**  -161.6161.955-57.20000113
928P37.3Very low39.2Very low130 Ų130126.2 Ų126.284%0.84479%0.785SS**  trans-83.6160.1-176.3-6.125.9000113.7
929G47.2Very low39.2Very low61 Ų61124.4 Ų124.463%0.62979%0.788SS**  trans-88.4174.4176.200000114.9R931G929-R931 PolarHBondContact O-N 3.37Å
930P39.2Very low39.5Very low131 Ų131124.8 Ų124.885%0.85179%0.788SS**  trans-79103.5159.432-27.9000107.9
931R41.3Very low40Very low203 Ų203124 Ų12477%0.76678%0.779SS**  45.988.278.2-164.7177.3-171.5177.14.3111.8G929G929-R931 PolarHBondContact O-N 3.37Å
932G43.3Very low40.1Very low64 Ų64124.2 Ų124.266%0.6678%0.781SS**PPolyproline II helixtrans-57.4129149.900000108.2P934G932-P934 VanDerWaalsContact O-CD 3.25Å; G932-P934 WeakPolarHBondContact O-CD 3.37Å
933P39.8Very low40.1Very low120 Ų120123.5 Ų123.578%0.77978%0.777SS**PPolyproline II helixtrans-67121.6-177.824.9-32.5000110.4
934P41.5Very low40.6Very low95 Ų95123.2 Ų123.262%0.61778%0.775SS**PPolyproline II helixtrans-62.8148.3166.8-18.233000109.9G932G932-P934 VanDerWaalsContact O-CD 3.25Å; G932-P934 WeakPolarHBondContact O-CD 3.37Å
935G38.9Very low40.8Very low79 Ų79121.4 Ų121.481%0.81477%0.772SS**PPolyproline II helixtrans-61141.5-174.100000113.8
936R37.1Very low41.4Very low249 Ų249118.7 Ų118.794%0.9477%0.765SS**PPolyproline II helixtrans-85.2137.9159.6-84.2-169.8170.2-155.8-2.4109.7
937L37.3Very low41.3Very low177 Ų177118.4 Ų118.493%0.92776%0.762SS**PPolyproline II helixtrans-59.6143.3173.6-62.9107.3000110.8
938G48.6Very low41.1Very low65 Ų65121.5 Ų121.567%0.6776%0.761SS**PPolyproline II helixtrans-82.4170.3-176.700000114.1I940G938-I940 PolarHBondContact O-N 3.09Å
939P41Very low41.3Very low128 Ų128122.2 Ų122.283%0.83176%0.758SS**PPolyproline II helixtrans-72.1120.8160.530.8-30.3000109.7G941P939-G941 PolarHBondContact O-N 3.25Å
940I43.6Very low40.6Very low166 Ų166122.7 Ų122.785%0.85176%0.762SS**  trans5.6112.4140-60.9158.7000113.6G938G938-I940 PolarHBondContact O-N 3.09Å
941G46.8Very low40.2Very low54 Ų54125.3 Ų125.356%0.55776%0.763SS**  trans-76168.2168.600000112P939 L943P939-G941 PolarHBondContact O-N 3.25Å; G941-L943 PolarHBondContact O-N 2.86Å; G941-L943 VanDerWaalsContact O-N 3.13Å
942P43.4Very low40Very low134 Ų134122.9 Ų122.987%0.8776%0.758SS**  trans-64.7109.6148.229.5-28000107.4
943L37Very low39.6Very low163 Ų163123.5 Ų123.585%0.85376%0.764SS**  trans-46.5152.3153.8-172.667.3000109.1G941G941-L943 PolarHBondContact O-N 2.86Å; G941-L943 VanDerWaalsContact O-N 3.13Å
944G42.9Very low39.4Very low60 Ų60123.3 Ų123.362%0.61976%0.757SS**  trans-67.1-146.4168.500000111.8
945P43.2Very low39.3Very low120 Ų120128.8 Ų128.878%0.77977%0.771SS**  cis-128.9-127.88.635.8-12.3000107.6
946P47.7Very low39.1Very low109 Ų109128.6 Ų128.671%0.70877%0.769SS**  -98.2163.1-50.514.38.5000109.8
947G32.4Very low38.8Very low58 Ų58121.6 Ų121.660%0.59876%0.764SS**  cis110.6138.543.600000108.8
948F33.5Very low38.7Very low186 Ų186118.8 Ų118.882%0.81676%0.76SS**  trans78.5136.5160.3-49.2-67.9000116.5
949D41.4Very low38.2Very low145 Ų145119 Ų11978%0.77576%0.761SS**  cis-137.2164.3-4.1-80.3-48000109
950G32.1Very low38Very low70 Ų70118.6 Ų118.672%0.72276%0.759SS**  62.5129.484.100000112.1
951E32.2Very low38.1Very low186 Ų186117 Ų11787%0.86976%0.759SS**  cis-145.7177.56.3-56.9175.313600105.7
952K36.9Very low37.7Very low152 Ų152117.8 Ų117.866%0.66177%0.767SS**  cis-174.4131.838.2-175.5164.7-178.1159.90109.3D954K952-D954 VanDerWaalsContact CE-OD1 3.22Å; K952-D954 WeakPolarHBondContact CE-OD1 3.34Å; K952-D954 WeakPolarHBondContact CE-OD2 3.27Å; K952-D954 WeakPolarHBondContact CG-OD1 3.33Å; K952-D954 IonicContact NZ-OD2 3.28Å; K952-D954 PolarHBondContact NZ-OD2 2.86Å
953G34.9Very low37.5Very low77 Ų77117.4 Ų117.479%0.79477%0.765SS**  trans-134.959.9176.700000110.9K955G953-K955 PolarHBondContact O-N 3.35Å; G953-K955 VanDerWaalsContact O-N 3.1Å
954D35.1Very low37.5Very low117 Ų117119.6 Ų119.663%0.62677%0.767SS**  trans-67.3106-176.8-758.9000111.8K952K952-D954 VanDerWaalsContact CE-OD1 3.22Å; K952-D954 WeakPolarHBondContact CE-OD1 3.34Å; K952-D954 WeakPolarHBondContact CE-OD2 3.27Å; K952-D954 WeakPolarHBondContact CG-OD1 3.33Å; K952-D954 IonicContact NZ-OD2 3.28Å; K952-D954 PolarHBondContact NZ-OD2 2.86Å
955K38.3Very low37.5Very low209 Ų209119.8 Ų119.891%0.90977%0.769SS**  trans157.2124.1131.2-87.6169.7-179.2-177.30109.9G953G953-K955 PolarHBondContact O-N 3.35Å; G953-K955 VanDerWaalsContact O-N 3.1Å
956G36.5Very low37.2Very low75 Ų75120.2 Ų120.277%0.77377%0.765SS**  cis-171134.7-8.600000109.8
957A29.9Very low36.8Very low102 Ų102123.7 Ų123.784%0.84377%0.769SS**PPolyproline II helixtrans-82.3133.3169.300000109.3
958S34.7Very low37Very low119 Ų119125 Ų12583%0.83278%0.782SS**PPolyproline II helixtrans-63.8136.9157.9-57.50000108.5
959G37.9Very low37.2Very low68 Ų68119.5 Ų119.570%0.70178%0.779SS**PPolyproline II helixtrans-62.6167.7176.700000112.6
960P37.5Very low37Very low121 Ų121120 Ų12079%0.78679%0.787SS**  -146.3158.484.738.9-24.5000115.9
961P45Very low37.1Very low132 Ų132120 Ų12086%0.85779%0.786SS**  trans-80.8140.6150.528.3-19.2000109.9
962G38.7Very low37.1Very low70 Ų70118.9 Ų118.972%0.72279%0.785SS**  cis137.3115.9-7.300000112.9
963P40.3Very low37Very low126 Ų126123.6 Ų123.682%0.81880%0.798SS**  trans-127137159.335.5-22.6000114.7
964K37.3Very low37.1Very low209 Ų209123 Ų12391%0.90979%0.792SS**  trans-32.7127.5153.5-174179.6-178.1-177.80112.1
965G41.4Very low37.3Very low64 Ų64122.9 Ų122.966%0.6680%0.798SS**  79.6137.581.200000112
966D36.6Very low37.1Very low129 Ų129123.2 Ų123.269%0.6980%0.799SS**  cis-173155.314.7-147.44.4000112.6
967K39.6Very low37Very low182 Ų182122.5 Ų122.579%0.79179%0.793SS**  trans65.9130149.8-72.6175.8178.690.70127
968G37.5Very low37.3Very low85 Ų85124 Ų12488%0.87679%0.794SS**  117.6135.7128.100000118.3
969G37.3Very low37.5Very low72 Ų72125.5 Ų125.574%0.74280%0.798SS**  cis160.8130.3-14.300000115.8
970V36.9Very low37.7Very low155 Ų155125.3 Ų125.394%0.93980%0.796SS**  trans65.8136.1159.9-163.90000118.2
971G34Very low38.1Very low69 Ų69125.3 Ų125.371%0.71180%0.798SS**  cis-161.9-141.71.300000109.9
972I31.9Very low37.9Very low163 Ų163125.2 Ų125.284%0.83680%0.798SS**  cis-162.9149.9-3.2-29.1167.2000109.8
973R35Very low37.8Very low252 Ų252125.1 Ų125.195%0.95180%0.796SS**  trans73.1139.4157.8-143.8174.1-168177.82.4118.2
974G36.9Very low37.9Very low65 Ų65127.3 Ų127.367%0.6780%0.8SS**  cis-163-177.62.900000113
975P40.2Very low38.3Very low113 Ų113123.3 Ų123.373%0.73480%0.796SS**  trans-129.1161.7-139.542.7-30.7000120.2
976F34.3Very low38.1Very low216 Ų216123.9 Ų123.995%0.94780%0.802SS**  trans55.1151.4164.9-69.1-71.9000118.8
977G33.3Very low38.2Very low61 Ų61125.9 Ų125.963%0.62981%0.81SS**  cis-155.6-142.823.500000116.3
978P36.6Very low38Very low133 Ų133126.2 Ų126.286%0.86482%0.815SS**PPolyproline II helixtrans-92.1155.1-14336-38.5000116.7
979V39.4Very low38Very low151 Ų151124.9 Ų124.992%0.91580%0.801SS**PPolyproline II helixtrans-94.9116.7168.8177.60000110.4
980G41.5Very low38.5Very low64 Ų64127.5 Ų127.566%0.6681%0.805SS**PPolyproline II helixtrans-98.4143.2164.400000111.1
981S47.2Very low38.6Very low121 Ų121126.3 Ų126.385%0.84680%0.8SS**PPolyproline II helixtrans-71.9143.2175.952.90000113.3
982P39.4Very low38.7Very low130 Ų130125.9 Ų125.984%0.84480%0.796SS**  trans-115.1155.9138.2-5.526.3000112.4
983G38.2Very low39.3Very low67 Ų67124 Ų12469%0.69179%0.787SS**  trans-98.7153.3-177.800000114.9
984L41Very low39.4Very low172 Ų172116.4 Ų116.490%0.90177%0.77SS**  23.3156.3123.5-63.7171.3000120.2
985P46.5Very low39.3Very low125 Ų125115.6 Ų115.681%0.81276%0.762SS**  cis-139.7171.7-22.236.1-17.5000115.1
986G36.1Very low39.4Very low76 Ų76117.4 Ų117.478%0.78476%0.761SS**  trans-167.7101.7169.500000115.2
987I40.3Very low39.4Very low171 Ų171111.9 Ų111.988%0.87776%0.755SS**  trans-70.5154.315944.9173.1000108.9
988Q35.2Very low39.7Very low190 Ų190112.6 Ų112.689%0.88876%0.762SS**  cis-163.616334.5179.7172.917.300107.3
989G36.4Very low39.8Very low56 Ų56115.4 Ų115.458%0.57776%0.764SS**  cis-175.4-161.1100000110.6
990P47.7Very low39.5Very low127 Ų127117.9 Ų117.983%0.82577%0.765SS**  trans-98.8113.3-174.934.7-28.9000113.3
991P38.7Very low39.3Very low130 Ų130118 Ų11884%0.84477%0.766SS**  trans-142.8159.5131.826-6000113.1
992G36.1Very low39.2Very low60 Ų60118.3 Ų118.362%0.61977%0.766SS**  cis-165.5-157.48.700000114.6
993L44.6Very low38.9Very low124 Ų124120.8 Ų120.865%0.64977%0.766SS**  trans-139.3108.6-158.1-92.3-176.9000109.6P906 P907P906-L993 CarbonylContact O-C 2.97Å; P906-L993 WeakPolarHBondContact O-CA 3.4Å; P906-L993 WeakPolarHBondContact O-CB 3.07Å; P906-L993 WeakPolarHBondContact O-CD2 3.27Å; P907-L993 HydrophobicContact CB-CD2 3.71Å; P907-L993 HydrophobicContact CG-CD2 4.41Å
994P37.1Very low38.9Very low93 Ų93120.8 Ų120.860%0.60477%0.766SS**  trans-158.4126.7137.934-11.4000120.1P906 P907P906-P994 WeakPolarHBondContact O-CA 3.36Å; P906-P994 VanDerWaalsContact O-N 3.09Å; P907-P994 VanDerWaalsContact C-N 3.26Å; P907-P994 CarbonylContact O-C 3.56Å
995G36.6Very low38.5Very low48 Ų48119.8 Ų119.850%0.49576%0.761SS.*  trans172.489.1168.900000118.4P906 P907P906-G995 VanDerWaalsContact C-N 3.28Å; P906-G995 VanDerWaalsContact CB-N 3.28Å; P906-G995 VanDerWaalsContact CG-N 3.28Å; P907-G995 VanDerWaalsContact CD-O 3.28Å; P907-G995 WeakPolarHBondContact CD-O 3.39Å; P907-G995 PolarHBondContact O-N 2.87Å
996Q42.1Very low38.3Very low151 Ų151121.2 Ų121.271%0.70677%0.766SS**  trans-110.5170.8163.7-102173.7-28.400106.4P906P906-Q996 HydrophobicContact CB-CB 3.8Å; P906-Q996 HydrophobicContact CB-CG 3.75Å; P906-Q996 VanDerWaalsContact CB-N 3.33Å; P906-Q996 HydrophobicContact CG-CB 3.77Å; P906-Q996 HydrophobicContact CG-CG 4.21Å; P906-Q996 VanDerWaalsContact CG-N 3.28Å
997A33.8Very low38.2Very low99 Ų99120.7 Ų120.782%0.81876%0.762SS**  cis-156.9-176.422.700000111.2
998G39.2Very low38.3Very low77 Ų77118.4 Ų118.479%0.79476%0.758SS**  trans173.7114.6164.600000111.3
999E38.2Very low38.3Very low191 Ų191118.8 Ų118.889%0.89376%0.759SS**  trans-102.9-179.9-176.3-67.1-170.9119.900113.4
1000E34Very low38.9Very low203 Ų203119 Ų11995%0.94976%0.762SS**  trans68.3144.7178.6-65.4-172.6130.400116.9
1001G36.1Very low38.5Very low66 Ų66119 Ų11968%0.6877%0.765SS**  cis-162.5-176.82.100000111.7
1002P45.9Very low38.7Very low128 Ų128123 Ų12383%0.83176%0.763SS**  trans-103.2173.9-154.539.1-38000118.4
1003E32.7Very low38.9Very low183 Ų183123.5 Ų123.586%0.85577%0.768SS**  trans95.2149.4146.8-133.8176.1-156.700122
1004G39.4Very low38.8Very low66 Ų66126.2 Ų126.268%0.6878%0.783SS**  trans118.781174.400000114.9
1005L31.2Very low39.3Very low152 Ų152125.2 Ų125.280%0.79678%0.776SS**  76.1152.170.6-68.3173000116.7
1006V41.9Very low39.7Very low154 Ų154126.4 Ų126.493%0.93379%0.788SS**  trans83.1135.8-179.1-169.30000115.1
1007G34.9Very low39.5Very low66 Ų66124 Ų12468%0.6879%0.794SS**  cis-178.6170.5-2.200000112.3
1008P42Very low40Very low122 Ų122125.7 Ų125.779%0.79280%0.797SS**  trans-119.4-178-152.843.1-34.5000119.7
1009E36.3Very low40.4Very low198 Ų198125.8 Ų125.893%0.92580%0.798SS**  trans76.8148.2163.7-71.7-171.3108.400121.9
1010G47.5Very low40.4Very low61 Ų61121.4 Ų121.463%0.62980%0.795SS**  cis173.9163.9-7.400000117.2
1011S39.7Very low41.1Very low128 Ų128117.9 Ų117.990%0.89579%0.789SS**  trans61.5151.6159.775.90000121.8
1012R43.2Very low41.1Very low212 Ų212118.2 Ų118.280%0.879%0.793SS**  cis-164.3141.3-22.6176.7175.6-172159.34.8108.2P1015R1012-P1015 HydrophobicContact CG-CB 4.02Å; R1012-P1015 HydrophobicContact CG-CG 3.72Å
1013G39.6Very low41.1Very low71 Ų71121.3 Ų121.373%0.73280%0.798SS**SBendtrans-167.3-31.7178.600000118.2
1014L42.5Very low41.3Very low182 Ų182119.6 Ų119.695%0.95380%0.8SS**SBendtrans-136.693162.4-104.4166.8000106.1
1015P47.7Very low41.2Very low72 Ų72119.2 Ų119.247%0.46880%0.796SS.*PPolyproline II helixtrans-101.3144.2-156.6-022.5000113.1R1012R1012-P1015 HydrophobicContact CG-CB 4.02Å; R1012-P1015 HydrophobicContact CG-CG 3.72Å
1016G46Very low41.3Very low72 Ų72118.9 Ų118.974%0.74280%0.8SS**PPolyproline II helixtrans-54.8150.3173.700000113.3
1017A38.3Very low41.1Very low100 Ų100118.6 Ų118.683%0.82680%0.799SS**SBendtrans-59.8152.7-172.100000113.3
1018P44.5Very low41.2Very low135 Ų135118.8 Ų118.888%0.87780%0.801SS**PPolyproline II helixtrans-74.4155.5-151.3-18.733.1000116.1
1019G47.9Very low40.9Very low80 Ų80121.2 Ų121.283%0.82581%0.806SS**  trans-134.9144.9169.500000112.9
1020A36.4Very low41.3Very low99 Ų99117.9 Ų117.982%0.81880%0.802SS**  trans-167.6156.9172.100000109.8
1021P49.4Very low40.7Very low129 Ų129118.1 Ų118.184%0.83880%0.804SS**  cis-119.8156.3-27.819.72000112.9
1022G37.1Very low40.8Very low73 Ų73120.4 Ų120.475%0.75381%0.805SS**  trans-81.1167.4175.400000114.4
1023M45.7Very low40.8Very low192 Ų192115 Ų11595%0.94681%0.805SS**  trans-65.8134.4-170.6-66.416662.800114.5
1024V37.3Very low40.8Very low148 Ų148115.3 Ų115.390%0.89781%0.809SS**  trans-105.9141.5156178.40000107.2
1025G36.4Very low40.9Very low58 Ų58116.3 Ų116.360%0.59881%0.808SS**  trans-128.6-163.8-165.700000116.8
1026V32.6Very low40.7Very low145 Ų145122.6 Ų122.688%0.87983%0.829SS**  trans68147.8168.7-91.90000120.8
1027T37.8Very low40.3Very low147 Ų147121.6 Ų121.690%0.90282%0.818SS**  trans76.2128.6-178.9-17.70000114.6
1028G37.4Very low40Very low71 Ų71124.2 Ų124.273%0.73282%0.818SS**  cis175.4132.9-6.900000110.6
1029L36.3Very low39.9Very low172 Ų172126.4 Ų126.490%0.90182%0.816SS**  trans-60163.9178.8-65.5154.3000112.3
1030P43.6Very low39.7Very low129 Ų129125.6 Ų125.684%0.83881%0.808SS**  cis-137.8-175.826.635.5-12.9000114.9
1031G34.8Very low39.6Very low65 Ų65127.3 Ų127.367%0.6781%0.814SS**  cis144.895.6-5.500000113.2
1032I43.1Very low39.2Very low177 Ų177130 Ų13091%0.90882%0.816SS**  trans-166.3138.5168.229.6172000109.1
1033A42.4Very low39.4Very low97 Ų97129.1 Ų129.180%0.80281%0.806SS**  cis-153.4132.1-6.900000112.1
1034G39.4Very low39.6Very low79 Ų79126.6 Ų126.681%0.81480%0.804SS**  trans91.726.9144.500000120.9K1036G1034-K1036 PolarHBondContact O-N 2.87Å
1035E45.6Very low39.6Very low202 Ų202127.2 Ų127.294%0.94480%0.801SS**  trans-73114.1171.1-66.6-167.3145.400111.5
1036K42.2Very low39.6Very low205 Ų205127.8 Ų127.889%0.89181%0.807SS**  trans-103.2135.6-175.1-178.9-175.2-179.6-177.10110G1034G1034-K1036 PolarHBondContact O-N 2.87Å
1037G37.7Very low40.1Very low50 Ų50132.3 Ų132.352%0.51581%0.808SS.*  cis150.3132.2-0.500000109.9
1038D31.8Very low40.2Very low156 Ų156136.5 Ų136.583%0.83481%0.808SS**  trans65.2152.8173.3-44.6-43.2000115.6
1039Q44.1Very low40Very low180 Ų180135.9 Ų135.984%0.84180%0.801SS**  cis-149151.4-1.6-136.4172.4-50.800107.2
1040G42Very low40Very low63 Ų63136.7 Ų136.765%0.64981%0.805SS**  76.9102.489.100000113Q1042G1040-Q1042 PolarHBondContact O-N 2.87Å
1041S34.6Very low40.1Very low136 Ų136135.4 Ų135.495%0.95180%0.797SS**  trans-66.5110.7169.337.80000110.8
1042Q41.2Very low40.2Very low185 Ų185135.3 Ų135.386%0.86480%0.796SS**  trans-120.3113.6175.2-166.4177.322.300111G1040G1040-Q1042 PolarHBondContact O-N 2.87Å
1043G42.3Very low40.5Very low54 Ų54134.1 Ų134.156%0.55780%0.797SS**  trans60.711715000000119.8I1045G1043-I1045 PolarHBondContact O-N 2.68Å; G1043-I1045 VanDerWaalsContact O-N 3.1Å
1044P48.8Very low40.2Very low139 Ų139136.4 Ų136.490%0.90380%0.801SS**  trans-73.1100.1160.231.2-31.2000109.7
1045I38.7Very low40.3Very low162 Ų162135.9 Ų135.983%0.83180%0.796SS**  trans-130115.2174.5-64.7-176.1000112G1043G1043-I1045 PolarHBondContact O-N 2.68Å; G1043-I1045 VanDerWaalsContact O-N 3.1Å
1046G34.8Very low40.2Very low70 Ų70133 Ų13372%0.72279%0.792SS**  77.878.7128.100000119.5
1047R43.3Very low40.5Very low240 Ų240129.2 Ų129.291%0.90679%0.787SS**  trans14.5122.8146-65.9-177174.3-160.6-1.4119.3
1048R39.3Very low40.5Very low235 Ų235130.3 Ų130.389%0.88780%0.799SS**  trans-148.893.1135.8-155.6175.9-169.3179.93.1106.6
1049G33.9Very low41Very low57 Ų57128.7 Ų128.759%0.58880%0.797SS**  78.8101.950.800000107.6P1051G1049-P1051 WeakPolarHBondContact O-CD 3.32Å; G1049-P1051 VanDerWaalsContact O-CG 3.26Å; G1049-P1051 WeakPolarHBondContact O-CG 3.43Å
1050L36.4Very low41Very low189 Ų189125.3 Ų125.399%0.9980%0.8SS**  trans-44.4113.4-175.1-83.6161.3000112.6
1051P45Very low40.8Very low102 Ų102126.2 Ų126.266%0.66281%0.809SS**  trans-128.896.1172.733.7-12.6000108.7G1049G1049-P1051 WeakPolarHBondContact O-CD 3.32Å; G1049-P1051 VanDerWaalsContact O-CG 3.26Å; G1049-P1051 WeakPolarHBondContact O-CG 3.43Å
1052G38.5Very low41Very low64 Ų64128.5 Ų128.566%0.6681%0.805SS**  cis139.2125.732.900000104.6V1054G1052-V1054 PolarHBondContact O-N 3.14Å
1053T48.5Very low41.1Very low152 Ų152125.3 Ų125.393%0.93380%0.8SS**  trans-77.383.5-172.948.20000111.9
1054V36.6Very low41.1Very low145 Ų145126 Ų12688%0.87981%0.807SS**  trans-151.7131.6161.9-169.30000107.5G1052G1052-V1054 PolarHBondContact O-N 3.14Å
1055G41Very low40.8Very low68 Ų68125 Ų12570%0.70180%0.803SS**  cis-174.4150.8-7.600000110.4
1056V43.2Very low40.9Very low142 Ų142123.9 Ų123.986%0.86180%0.804SS**  trans-65164.1157.9-109.80000109.6
1057P49.2Very low41.2Very low124 Ų124123.9 Ų123.981%0.80580%0.804SS**  cis-133.3175.1-8.630.2-8.6000114.6
1058G37.5Very low40.9Very low73 Ų73118.6 Ų118.675%0.75380%0.798SS**  trans-168.1106.7168.100000111.3
1059P41.9Very low41.1Very low122 Ų122113 Ų11379%0.79279%0.792SS**  trans-96.1161.1-163.736.4-36.4000115.4
1060A43.6Very low41.7Very low110 Ų110113.5 Ų113.591%0.90980%0.797SS**  trans61.3123.3155.900000119.6
1061G39Very low42.1Very low81 Ų81110.4 Ų110.484%0.83579%0.788SS**  trans-175.550.4177.700000113.8
1062Q38.5Very low41.5Very low185 Ų185112.7 Ų112.786%0.86480%0.8SS**  trans-62.7174.2161.5-78.5-177-4.600110.9
1063P44Very low41.4Very low117 Ų117112.9 Ų112.976%0.7680%0.802SS**  cis-136.1169.7-34.134.2-17.5000113.5
1064G41.2Very low40.8Very low69 Ų69113.8 Ų113.871%0.71180%0.796SS**  trans72.2133.1134.800000121.9
1065S43.3Very low41Very low118 Ų118115.7 Ų115.783%0.82580%0.795SS**  -177.2110.4118.229.40000108.1
1066V39.7Very low40.9Very low138 Ų138115.7 Ų115.784%0.83680%0.795SS**  77.5110.462.7175.30000112.9V1068V1066-V1068 HydrophobicContact CG1-CG2 4.35Å
1067G41Very low40.3Very low70 Ų70118.2 Ų118.272%0.72280%0.797SS**  135155.712200000119.1
1068V37.9Very low39.9Very low129 Ų129123.8 Ų123.878%0.78280%0.802SS**  cis-147.9-127.5-23.4-1560000109.3V1066V1066-V1068 HydrophobicContact CG1-CG2 4.35Å
1069P43.2Very low40.1Very low119 Ų119123 Ų12377%0.77380%0.795SS**  -96.7172.1-113.920.32.7000114.2
1070G46.7Very low40.2Very low67 Ų67125 Ų12569%0.69180%0.804SS**  cis111.4131.232.700000109.5
1071P44Very low40Very low123 Ų123127.3 Ų127.380%0.79980%0.797SS**  -133.214690.9157.5000112.9
1072V34.1Very low39.9Very low150 Ų150125.9 Ų125.991%0.90978%0.781SS**  63.4124.668.2-177.90000112.3
1073G35.7Very low39.9Very low68 Ų68126.5 Ų126.570%0.70178%0.784SS**  cis-151.9-164.7-3.300000109.1
1074Q36.6Very low39.5Very low172 Ų172127.2 Ų127.280%0.80478%0.782SS**  cis-151166.712.8-66.9176.9-36.700109.7
1075Q40.8Very low39.3Very low185 Ų185126.7 Ų126.786%0.86478%0.776SS**  trans42.1130.8132.2-167.4174.91100119.6
1076G37.3Very low39.1Very low67 Ų67127.1 Ų127.169%0.69178%0.776SS**  cis170.9-170.48.700000110.1
1077E31.5Very low39.6Very low195 Ų195126.8 Ų126.891%0.91178%0.777SS**  trans-51131.5-176.5-50.1169.9125.200114.8
1078R41.4Very low39.9Very low241 Ų241126.6 Ų126.691%0.90978%0.775SS**  trans-167.9126135.9-162.8155.3-69.1-177.2-2.1114
1079G41.8Very low40Very low58 Ų58126.8 Ų126.860%0.59878%0.779SS**  trans67.4112.113700000120Q1081G1079-Q1081 PolarHBondContact O-N 2.86Å
1080T44.2Very low39.7Very low162 Ų162132.1 Ų132.199%0.99478%0.784SS**SBendtrans-70.683.1147.148.70000109.5
1081Q37.6Very low39.2Very low160 Ų160132 Ų13275%0.74878%0.782SS**  trans-155.5135.2170.7-176.2177.2-5.500104G1079G1079-Q1081 PolarHBondContact O-N 2.86Å
1082G37.7Very low38.8Very low50 Ų50132.3 Ų132.352%0.51578%0.781SS.*  cis118.993.627.700000106.9
1083E37.8Very low39.2Very low199 Ų199134 Ų13493%0.9378%0.78SS**  trans-95.1105.7153-67.8-166.6139.500103.8
1084D36.1Very low39.4Very low131 Ų131133.9 Ų133.970%0.70178%0.778SS**  45.110450.4-62.6-21.5000110
1085G38.2Very low39.2Very low58 Ų58130.8 Ų130.860%0.59878%0.776SS**  cis150.2153.33.700000108.5P1087G1085-P1087 WeakPolarHBondContact O-CD 3.25Å
1086P37.9Very low39.4Very low127 Ų127126.9 Ų126.983%0.82577%0.766SS**SBendtrans-62.9129.216527.1-31.7000108.5G1088P1086-G1088 PolarHBondContact O-N 2.82Å
1087P49.4Very low39.5Very low132 Ų132127.1 Ų127.186%0.85777%0.769SS**  trans-59.3126.9-175-27.334.7000114G1085G1085-P1087 WeakPolarHBondContact O-CD 3.25Å
1088G48.1Very low39.6Very low66 Ų66121.7 Ų121.768%0.6875%0.749SS**  trans-103.6176137.200000109.2P1086P1086-G1088 PolarHBondContact O-N 2.82Å
1089P40.8Very low39.5Very low132 Ų132118.4 Ų118.486%0.85774%0.744SS**  cis-110.6-173.4-4.742.4-30.1000110.7
1090R36.8Very low39.4Very low232 Ų232118.7 Ų118.788%0.87575%0.747SS**  -174.6126.176.5-172.9172.9-178.9165.6-0.1105.9
1091G34.7Very low39.3Very low64 Ų64117 Ų11766%0.6674%0.738SS**  76.7119.173.900000108.3
1092V35.8Very low39.3Very low129 Ų129118 Ų11878%0.78275%0.748SS**  cis-151.2175.938-73.80000108.7
1093E43.5Very low39.2Very low186 Ų186118.7 Ų118.787%0.86976%0.755SS**  cis-152.4166.112-141167.6136.600107
1094G40.5Very low39.4Very low65 Ų65115.5 Ų115.567%0.6775%0.752SS**  12861.373.900000112.6
1095S31Very low39.9Very low108 Ų108119 Ų11976%0.75576%0.761SS**  trans-52.1-178156.355.50000114.2
1096P45Very low39.7Very low102 Ų102119.9 Ų119.966%0.66277%0.771SS**  cis-139.4-169.1-29.931.1-8.6000113.5V1098P1096-V1098 HydrophobicContact CB-CG2 4.25Å
1097G40.1Very low40Very low73 Ų73122.1 Ų122.175%0.75377%0.77SS**  trans16080.916200000112.3
1098V33.4Very low39.6Very low80 Ų80124.3 Ų124.349%0.48577%0.769SS.*  80.8103.561.8-177.50000114P1096P1096-V1098 HydrophobicContact CB-CG2 4.25Å
1099Q38.6Very low39.8Very low172 Ų172124.3 Ų124.380%0.80477%0.769SS**  trans61142.9141.9-158.9169.71.600119.2
1100G40.2Very low40.1Very low65 Ų65124.3 Ų124.367%0.6777%0.769SS**  cis-175.1-139.9200000107.4
1101P41.6Very low40.1Very low125 Ų125124.1 Ų124.181%0.81277%0.768SS**  -124.6177.3-61.440.7-29.6000113.2
1102L37.3Very low40.4Very low181 Ų181123.7 Ų123.795%0.94876%0.764SS**  trans67138.8155.3-155.273.5000120.1
1103G36.4Very low40.2Very low65 Ų65123.5 Ų123.567%0.6777%0.765SS**  trans115117.6164.500000115
1104P43.2Very low40Very low133 Ų133123.1 Ų123.186%0.86476%0.763SS**  trans-90.3136-169.833.3-34.3000116.1
1105K44.7Very low39.9Very low203 Ų203123.1 Ų123.188%0.88376%0.763SS**  trans55.5110152.4-159.9179.9-175.7-175.80120.2
1106G35Very low40.3Very low78 Ų78124.9 Ų124.980%0.80477%0.769SS**  trans-172.7125.2157.900000113.3
1107Q43.1Very low40.3Very low174 Ų174126 Ų12681%0.81378%0.777SS**  trans-78.4171.2176.9-86163.8-62.200111.6
1108E41.9Very low40.3Very low177 Ų177125.4 Ų125.483%0.82777%0.771SS**  cis-175.1163.64.3145.8178.1-150.600110.7
1109G53.1Low40.3Very low67 Ų67129.1 Ų129.169%0.69179%0.788SS**  trans76.8164.4159.100000116.9
1110P45.5Very low40.2Very low131 Ų131128.3 Ų128.385%0.85179%0.787SS**  cis-119-151.328.541.4-25.6000111.1
1111R38.3Very low39.9Very low229 Ų229128.3 Ų128.386%0.86479%0.787SS**  cis-154.7156.60.8-175175-179.8-178.80.3106.2
1112G40.1Very low39.4Very low55 Ų55129.2 Ų129.257%0.56779%0.791SS**  cis153.1134.3-2.400000108
1113P32.4Very low39.8Very low125 Ų125126.4 Ų126.481%0.81278%0.783SS**SBend-104127.788.830.6-35.2000110.3
1114Q38.8Very low40.5Very low177 Ų177126.5 Ų126.583%0.82778%0.784SS**  56.5105.372.3-170.3178.33.100110.9
1115G39.2Very low40.6Very low65 Ų65125.6 Ų125.667%0.6778%0.778SS**  cis136.2130.9-0.300000110.7
1116V39.6Very low40.1Very low145 Ų145123.4 Ų123.488%0.87978%0.776SS**  trans-157.2154.1170.2-98.60000109.4
1117P44.1Very low40.6Very low126 Ų126122.9 Ų122.982%0.81877%0.771SS**  trans-132.2176.4-133.230.8-9.1000117.1
1118G39Very low40.4Very low61 Ų61120.6 Ų120.663%0.62977%0.771SS**  trans87.3119.3160.100000115.5
1119D34.6Very low40.7Very low157 Ų157117.6 Ų117.684%0.8476%0.755SS**  75.8135.365.7-69.2-31.8000112.3
1120I36.6Very low39.8Very low156 Ų156116.6 Ų116.680%0.875%0.745SS**  cis-155.7152.314.9-120.9156.2000111.3
1121G34.3Very low39.1Very low65 Ų65116 Ų11667%0.6773%0.731SS**  trans51.9115.2144.700000122.4
1122T29.7Very low38.9Very low144 Ų144109 Ų10988%0.88371%0.711SS**  trans-106.8115.3145.540.40000110.7
1123P47.1Very low38.7Very low122 Ų122109.1 Ų109.179%0.79271%0.712SS**  trans-73.9153.4166.2-15.330.8000112.1
1124G50.2Low38.7Very low67 Ų67110 Ų11069%0.69172%0.717SS**  trans-88179.7136.800000109.6
1125P46.1Very low38.5Very low113 Ų113109.3 Ų109.373%0.73472%0.718SS**  cis-136.5-161.116.642.6-23.6000114.1
1126D32.8Very low38.1Very low158 Ų158107.5 Ų107.585%0.84570%0.7SS**  trans62.8123.2161.2-59.5-17.1000119.6
1127G46.7Very low38Very low67 Ų67104 Ų10469%0.69168%0.676SS**  trans-104.2149.4-164.300000115.8K1129G1127-K1129 PolarHBondContact O-N 2.84Å; G1127-K1129 VanDerWaalsContact O-N 3.08Å
1128P39.2Very low37.9Very low126 Ų126102 Ų10282%0.81866%0.662SS**  trans-75.192.6159.332-31.5000110.1G1130P1128-G1130 PolarHBondContact O-N 2.94Å
1129K46.5Very low37.7Very low113 Ų113102.1 Ų102.149%0.49166%0.664SS.*  trans-29.990.6140.6-172.8-176.1-155.9-98.20112.8P613 G614 D615 G1127P613-K1129 HydrophobicContact CB-CG 4.2Å; P613-K1129 VanDerWaalsContact CD-O 3.28Å; P613-K1129 WeakPolarHBondContact CD-O 2.91Å; P613-K1129 HydrophobicContact CG-CB 4.3Å; P613-K1129 HydrophobicContact CG-CG 3.7Å; P613-K1129 WeakPolarHBondContact O-CE 3.48Å; P613-K1129 WeakPolarHBondContact O-CG 3.45Å; P613-K1129 PolarHBondContact O-NZ 2.89Å; G614-K1129 VanDerWaalsContact C-NZ 3.32Å; G614-K1129 WeakPolarHBondContact O-CE 3.4Å; G614-K1129 PolarHBondContact O-NZ 2.91Å; D615-K1129 VanDerWaalsContact OD2-CE 3.25Å; D615-K1129 WeakPolarHBondContact OD2-CE 3.44Å; G1127-K1129 PolarHBondContact O-N 2.84Å; G1127-K1129 VanDerWaalsContact O-N 3.08Å
1130G34.3Very low38Very low46 Ų46100.7 Ų100.747%0.47466%0.663SS.*  trans148.3133.8175.200000111.7P613 P1128P613-G1130 VanDerWaalsContact CG-N 3.34Å; P1128-G1130 PolarHBondContact O-N 2.94Å
1131E31.2Very low38.4Very low120 Ų120102.4 Ų102.456%0.56167%0.668SS**  cis-154.8159.58.8-98.7-165.1118.800112.3G611G611-E1131 WeakPolarHBondContact CA-OE1 2.99Å
1132L34.1Very low39.3Very low82 Ų82102.3 Ų102.343%0.42967%0.667SS.*  trans6197148.5-66155.9000120.5V610 V612V610-L1132 HydrophobicContact CG1-CD1 3.84Å; V610-L1132 HydrophobicContact CG1-CD2 4.4Å; V610-L1132 HydrophobicContact CG2-CD1 4.28Å; V610-L1132 HydrophobicContact CG2-CD2 4.32Å; V612-L1132 HydrophobicContact CG2-CD2 4.42Å; V612-L1132 HydrophobicContact CG2-CG 4.24Å; V612-L1132 VanDerWaalsContact CG2-N 3.29Å
1133G35.4Very low39.8Very low57 Ų57101.2 Ų101.259%0.58866%0.662SS**  trans81.2162.3145.200000116.6
1134P32.8Very low39.4Very low143 Ų143102 Ų10293%0.92967%0.665SS**SBendcis-82.598.134.329.9-37.1000114.9
1135L34.2Very low38.8Very low162 Ų162101.7 Ų101.785%0.84866%0.662SS**  trans-156.7142.3163-149.9122000108
1136G32Very low38.4Very low28 Ų28102.3 Ų102.329%0.28967%0.666SS.*  cis-107.9-140.3-14.700000110.3P1138 Q1294G1136-P1138 VanDerWaalsContact C-CD 3.43Å; G1136-Q1294 PolarHBondContact O-NE2 3.36Å
1137I37.8Very low38.6Very low72 Ų72100.9 Ų100.937%0.36967%0.665SS.*  trans-121.283.6153.7-39.9103.2000109.3Q1294 G1295 V1296I1137-Q1294 HydrophobicContact CB-CG 4.45Å; I1137-Q1294 HydrophobicContact CG1-CG 3.83Å; I1137-Q1294 HydrophobicContact CG2-CG 4.1Å; I1137-G1295 WeakPolarHBondContact CG1-O 3.01Å; I1137-G1295 VanDerWaalsContact CG2-O 3.23Å; I1137-G1295 WeakPolarHBondContact CG2-O 3.3Å; I1137-V1296 HydrophobicContact CB-CG1 4.16Å; I1137-V1296 HydrophobicContact CG2-CB 4.28Å; I1137-V1296 HydrophobicContact CG2-CG1 3.43Å; I1137-V1296 VanDerWaalsContact CG2-CG1 3.43Å
1138P41.5Very low38.1Very low82 Ų82100.8 Ų100.853%0.53266%0.664SS.*  trans-117.6118.5-174.724.7-2.2000110.7P609 G1136P609-P1138 HydrophobicContact CG-CB 4.48Å; P609-P1138 HydrophobicContact CG-CG 4.15Å; G1136-P1138 VanDerWaalsContact C-CD 3.43Å
1139G35.5Very low37.9Very low65 Ų65101.1 Ų101.167%0.6767%0.666SS**  cis-159.3-147.15.300000111.4
1140P40.6Very low37.1Very low126 Ų126105.8 Ų105.882%0.81869%0.687SS**  trans-83.4157.5-159.433-37.6000115.9
1141Q44.2Very low36.9Very low192 Ų192107 Ų10790%0.89770%0.699SS**  trans77121.1151.5-158.4164.72.900118.3
1142G53.2Low37Very low64 Ų64108.4 Ų108.466%0.6672%0.715SS**  trans-92.8-163.2173.800000113.1
1143P41.1Very low37.1Very low121 Ų121114 Ų11479%0.78674%0.739SS**  trans-140.6158.1142.138-24.6000114.6
1144T38.9Very low37Very low138 Ų138114.2 Ų114.285%0.84774%0.741SS**  trans55.5109.6151.5-48.10000118.5
1145G37.5Very low37.3Very low60 Ų60112.9 Ų112.962%0.61974%0.735SS**PPolyproline II helixtrans-68.516217600000114.6
1146P37.1Very low37.4Very low127 Ų127112 Ų11283%0.82574%0.737SS**PPolyproline II helixtrans-67.2149177.527.8-33.9000111.9
1147P37.3Very low37.6Very low127 Ų127113.5 Ų113.583%0.82575%0.751SS**PPolyproline II helixtrans-70.5149.4-173.7-16.531.6000113
1148G36.4Very low37.5Very low65 Ų65118.6 Ų118.667%0.6777%0.774SS**PPolyproline II helixtrans-72162.3173.300000113.5K1150G1148-K1150 PolarHBondContact O-N 2.86Å
1149P35.2Very low37.1Very low134 Ų134122.1 Ų122.187%0.8779%0.788SS**PPolyproline II helixtrans-61.2132.816526.3-32.5000110.9
1150K29.6Very low37.5Very low211 Ų211122.4 Ų122.492%0.91779%0.791SS**PPolyproline II helixtrans-53.8156165.6-69.1170.6172.8175.80110.7G1148G1148-K1150 PolarHBondContact O-N 2.86Å
1151G29.4Very low37.5Very low70 Ų70122.4 Ų122.472%0.72279%0.791SS**  cis-174.1173.13.300000112
1152V34.2Very low37.4Very low151 Ų151118.9 Ų118.992%0.91579%0.785SS**  trans-77.3126.3-169.2-159.70000112.3
1153Q34.4Very low36.4Very low199 Ų199119.5 Ų119.593%0.9379%0.791SS**  trans-158.7126.2144.6-171.9175.1-0.200108
1154G34.7Very low36.2Very low61 Ų61119.8 Ų119.863%0.62979%0.793SS**  cis-161.3166.6-7.400000110.6
1155S39.1Very low36.3Very low115 Ų115122.4 Ų122.480%0.80480%0.795SS**  trans-68.9175.2173.449.10000113.6
1156V36.2Very low36.3Very low145 Ų145122.6 Ų122.688%0.87980%0.798SS**  trans89.9128.2-178.9-173.50000112.8
1157G36.9Very low36.4Very low58 Ų58122.7 Ų122.760%0.59880%0.798SS**  cis-135.6154.8-5.600000110.1
1158E34.8Very low36.5Very low180 Ų180124.4 Ų124.484%0.84180%0.8SS**  83.4133.578.6-72.2-162.9141.300114.6
1159D31.9Very low36.7Very low156 Ų156124.5 Ų124.583%0.83480%0.801SS**  trans55.5141.6161.8-61-15.6000122.6
1160G44.8Very low36.6Very low70 Ų70128.1 Ų128.172%0.72280%0.803SS**  trans-120.6153.9162.800000110.5
1161P40.1Very low37Very low126 Ų126126.5 Ų126.582%0.81880%0.799SS**  trans-145.5-162137.237.3-19.6000111.3
1162P42.8Very low37.3Very low119 Ų119126.2 Ų126.277%0.77380%0.796SS**PPolyproline II helix-95.7162.4-79.635.3-25.5000112.4
1163G31.8Very low37.3Very low77 Ų77127.7 Ų127.779%0.79480%0.798SS**PPolyproline II helixtrans-71.5132.4-175.100000114.6
1164P36.8Very low37.4Very low126 Ų126128 Ų12882%0.81879%0.79SS**PPolyproline II helixtrans-83.2157.8170.433.6-33.5000112.5
1165Q41Very low37.4Very low193 Ų193128.3 Ų128.390%0.90279%0.793SS**PPolyproline II helixtrans-54.9136.8-174.6-172.41755.700114
1166G38.6Very low37.2Very low65 Ų65130.7 Ų130.767%0.6780%0.796SS**PPolyproline II helixtrans-67.3134-179.700000113.1L1168G1166-L1168 PolarHBondContact O-N 2.8Å
1167P39.5Very low37.3Very low128 Ų128128.4 Ų128.483%0.83178%0.784SS**PPolyproline II helixtrans-73.4120.3175.429-32.6000110.8
1168L38.8Very low37.4Very low163 Ų163128.8 Ų128.885%0.85379%0.789SS**  trans3.5111.6160.5-165.573000116.1G1166 K1170G1166-L1168 PolarHBondContact O-N 2.8Å; L1168-K1170 PolarHBondContact O-N 2.83Å; L1168-K1170 VanDerWaalsContact O-N 3.17Å
1169G39.5Very low37.9Very low68 Ų68126.4 Ų126.470%0.70179%0.789SS**  trans-55.7123166.200000110Q1171G1169-Q1171 PolarHBondContact O-N 2.87Å
1170K34.9Very low38.1Very low209 Ų209126.8 Ų126.891%0.90979%0.79SS**  trans-61.4109.4173.3-77-171.1178-177.80108.4L1168 G1172L1168-K1170 PolarHBondContact O-N 2.83Å; L1168-K1170 VanDerWaalsContact O-N 3.17Å; K1170-G1172 PolarHBondContact O-N 2.94Å
1171Q36.6Very low37.9Very low177 Ų177126 Ų12683%0.82778%0.782SS**  trans-24117.7176.6-148168.59.400112.7G1169 L1173G1169-Q1171 PolarHBondContact O-N 2.87Å; Q1171-L1173 PolarHBondContact O-N 3.44Å
1172G36.7Very low38.2Very low65 Ų65125.8 Ų125.867%0.6778%0.781SS**  trans-55.2129.8161.600000108K1170 R1174K1170-G1172 PolarHBondContact O-N 2.94Å; G1172-R1174 PolarHBondContact O-N 3.41Å
1173L33.5Very low38.1Very low181 Ų181125.9 Ų125.995%0.94878%0.781SS**  trans-58.4107.5178.7-81.7167.3000108.3Q1171 G1175Q1171-L1173 PolarHBondContact O-N 3.44Å; L1173-G1175 PolarHBondContact O-N 2.57Å; L1173-G1175 VanDerWaalsContact O-N 3.15Å
1174R35.6Very low38.4Very low206 Ų206125.2 Ų125.278%0.77777%0.774SS**PPolyproline II helixtrans-50.4119.2-179179.2179.3-177.4174.61.2108.3G1172 L1176G1172-R1174 PolarHBondContact O-N 3.41Å; R1174-L1176 PolarHBondContact O-N 3.49Å
1175G36.4Very low38.8Very low67 Ų67125 Ų12569%0.69177%0.773SS**PPolyproline II helixtrans-50.7119.4169.700000108.4L1173 P1177L1173-G1175 PolarHBondContact O-N 2.57Å; L1173-G1175 VanDerWaalsContact O-N 3.15Å; G1175-P1177 WeakPolarHBondContact O-CD 3.39Å
1176L34Very low38.7Very low165 Ų165121.4 Ų121.486%0.86477%0.766SS**PPolyproline II helixtrans-58.1124.6179.6-76.6166.6000107.6R1174 G1178R1174-L1176 PolarHBondContact O-N 3.49Å; L1176-G1178 PolarHBondContact O-N 2.85Å
1177P37.6Very low38.8Very low97 Ų97122 Ų12263%0.6377%0.773SS**PPolyproline II helixtrans-54.1133.7173.5-24.634.3000109.3G1175G1175-P1177 WeakPolarHBondContact O-CD 3.39Å
1178G41Very low38.6Very low67 Ų67124.6 Ų124.669%0.69178%0.776SS**PPolyproline II helixtrans-53.2130.517300000109.1L1176 L1180L1176-G1178 PolarHBondContact O-N 2.85Å; G1178-L1180 PolarHBondContact O-N 3.4Å
1179P44Very low38.4Very low129 Ų129123.2 Ų123.284%0.83877%0.774SS**PPolyproline II helixtrans-58.5130.5-176.723.2-32.7000109.4G1181P1179-G1181 PolarHBondContact O-N 2.84Å
1180L36.2Very low38.4Very low165 Ų165123.3 Ų123.386%0.86478%0.775SS**PPolyproline II helixtrans-53.1122.2175.7-173.972000108.5G1178G1178-L1180 PolarHBondContact O-N 3.4Å
1181G41.8Very low38.5Very low54 Ų54119.4 Ų119.456%0.55777%0.771SS**PPolyproline II helixtrans-56.2134.2178.500000110P1179P1179-G1181 PolarHBondContact O-N 2.84Å
1182P45.4Very low38.5Very low121 Ų121120.2 Ų120.279%0.78678%0.775SS**PPolyproline II helixtrans-58.9135.1-179.424.2-33.2000109.6G1184P1182-G1184 PolarHBondContact O-N 2.98Å
1183P40.5Very low38.8Very low121 Ų121120.3 Ų120.379%0.78678%0.776SS**PPolyproline II helixtrans-53.7131.2174.5-25.734.4000110.5
1184G38.6Very low38.8Very low63 Ų63123.2 Ų123.265%0.64978%0.775SS**PPolyproline II helixtrans-58.2136.1176.300000110.4P1182P1182-G1184 PolarHBondContact O-N 2.98Å
1185P44.2Very low38.6Very low122 Ų122120.1 Ų120.179%0.79278%0.778SS**PPolyproline II helixtrans-61.4131.4-178.124.4-33.2000110.2G1187P1185-G1187 PolarHBondContact O-N 3.19Å
1186P40.3Very low38.9Very low116 Ų116120.1 Ų120.175%0.75378%0.778SS**PPolyproline II helixtrans-57.8134171-23.133.6000110.4M1188P1186-M1188 PolarHBondContact O-N 3.35Å
1187G39.7Very low39.1Very low79 Ų79118.6 Ų118.681%0.81478%0.779SS**PPolyproline II helixtrans-63120.3175.300000110.4P1185P1185-G1187 PolarHBondContact O-N 3.19Å
1188M34.6Very low39Very low181 Ų181123.5 Ų123.589%0.89279%0.793SS**  trans-103.6109.3177.3-70.2-163.174.600111.6P1186P1186-M1188 PolarHBondContact O-N 3.35Å
1189T35.7Very low39.3Very low134 Ų134123.4 Ų123.482%0.82279%0.793SS**  trans-44134.5158.9-40.80000111.3
1190G40.5Very low39Very low70 Ų70124 Ų12472%0.72280%0.796SS**PPolyproline II helixtrans-75.9144.1176.700000112.9
1191P37Very low39Very low127 Ų127126.4 Ų126.483%0.82580%0.8SS**PPolyproline II helixtrans-98.5134.3169.734.4-29.3000112.6
1192Q34.8Very low38.6Very low195 Ų195127.4 Ų127.491%0.91181%0.81SS**PPolyproline II helixtrans-65.1142.4168.8-174178.410.600111.1
1193G43.7Very low38.4Very low67 Ų67130.9 Ų130.969%0.69182%0.818SS**PPolyproline II helixtrans-83.3164.6-177.400000114.9
1194R33Very low38Very low242 Ų242134.1 Ų134.191%0.91382%0.82SS**  trans-143.4134.8163.2-77.9-166.3170.1-177.1-3.7112.9
1195T32.3Very low37.7Very low140 Ų140134.3 Ų134.386%0.85982%0.822SS**  trans19.1124.8145-31.80000119.6
1196G42.4Very low37.2Very low67 Ų67135.8 Ų135.869%0.69182%0.818SS**  trans-90.9-17717400000115.1
1197P38.5Very low36.9Very low134 Ų134137 Ų13787%0.8782%0.824SS**PPolyproline II helixtrans-90.1144.8178.234.7-32.2000113.2
1198Q35.1Very low36.6Very low199 Ų199136.4 Ų136.493%0.9382%0.818SS**PPolyproline II helixtrans-76.6134.7178.7-165.3172.417.200110.8
1199G46.4Very low36.7Very low66 Ų66135.7 Ų135.768%0.6881%0.812SS**PPolyproline II helixtrans-87.9171.2-173.900000115.4
1200P38Very low36.7Very low140 Ų140137.9 Ų137.991%0.90981%0.813SS**PPolyproline II helixtrans-90.3153.2171.535.1-31.7000113
1201K36.3Very low36.3Very low216 Ų216137.3 Ų137.394%0.93981%0.807SS**PPolyproline II helixtrans-101.7141.6-173.6172.1-170.9-178.4-176.70110.5
1202G34.1Very low36.3Very low76 Ų76137.8 Ų137.878%0.78481%0.807SS**  trans152.8111.7164.300000115.1
1203M40.5Very low36.5Very low193 Ų193134.8 Ų134.895%0.95181%0.805SS**  trans-99.8-177.5172.2-62.317573.400111.4
1204K33.6Very low36.2Very low190 Ų190135.1 Ų135.183%0.82681%0.808SS**  trans92.4131.3168.4-161.1178.3-172.2179.40113.7E1206K1204-E1206 VanDerWaalsContact CE-OE2 3.26Å; K1204-E1206 WeakPolarHBondContact CE-OE2 3.3Å
1205G32.1Very low36.1Very low67 Ų67132.5 Ų132.569%0.69181%0.806SS**  cis-169.7-163.4-4.300000106.3
1206E32.4Very low36.3Very low152 Ų152131.2 Ų131.271%0.7180%0.8SS**  cis-177158.9-15.4-112.8174.1141.500105.1K1204K1204-E1206 VanDerWaalsContact CE-OE2 3.26Å; K1204-E1206 WeakPolarHBondContact CE-OE2 3.3Å
1207T35.7Very low36Very low142 Ų142131.8 Ų131.887%0.87181%0.806SS**  trans69.7142.8168.7-39.50000115.5
1208G32.3Very low35.8Very low67 Ų67136.5 Ų136.569%0.69181%0.806SS**  cis176.1170.1-1.600000106.3
1209E37.6Very low35.8Very low166 Ų166134 Ų13478%0.77681%0.805SS**  cis-151.5144.213-68.8-174.6134.600107.2
1210Q34.5Very low35.7Very low180 Ų180134 Ų13484%0.84180%0.804SS**  62.3134.789.2-148.6173.7-11.700114.3
1211G32.5Very low35.7Very low57 Ų57133.8 Ų133.859%0.58880%0.803SS**  cis-157159.54.400000111.8
1212V36.8Very low35.7Very low137 Ų137130.2 Ų130.283%0.8380%0.799SS**  42.6138.397.1-68.60000115.6
1213P38.7Very low35.9Very low132 Ų132129.8 Ų129.886%0.85780%0.795SS**  cis-136.1-17734.735.2-14000116.1
1214G37.2Very low35.7Very low74 Ų74126 Ų12676%0.76379%0.788SS**  trans-157.8116.5170.500000114
1215E32.5Very low35.9Very low188 Ų188122.8 Ų122.888%0.87979%0.786SS**  trans-160.1172.2170.8-75.5-150.6141.200108.1
1216P36.4Very low36.2Very low113 Ų113122.9 Ų122.973%0.73479%0.787SS**  -135151.2-64.937.6-20.5000114.9
1217G34.2Very low36.7Very low78 Ų78121.5 Ų121.580%0.80479%0.791SS**  trans67.3123.8145.900000122.8
1218R36.2Very low36.7Very low234 Ų234120.8 Ų120.888%0.88379%0.789SS**  trans-148159.6140.1-82-154.8173.9-164.9-3.6110.6
1219T34.5Very low36.8Very low146 Ų146121.3 Ų121.390%0.89679%0.794SS**  trans-122144.7-154.4-53.60000114.2
1220G44.4Very low36.6Very low65 Ų65118.9 Ų118.967%0.6780%0.796SS**  trans82.5169.4153.400000117.1
1221P37.1Very low36.7Very low136 Ų136118.6 Ų118.688%0.88380%0.8SS**  cis-114.7174.324.640-31.8000116.8
1222V37Very low36.9Very low141 Ų141119.4 Ų119.486%0.85581%0.807SS**PPolyproline II helixtrans-80.1157.3-176.1174.70000111.9
1223G37Very low36.7Very low68 Ų68118.3 Ų118.370%0.70181%0.806SS**PPolyproline II helixtrans-67.8153.1177.200000114.5
1224S36.5Very low37.1Very low114 Ų114118.2 Ų118.280%0.79781%0.805SS**PPolyproline II helixtrans-92.1124178.253.50000112.4
1225P38.2Very low37.1Very low121 Ų121118.3 Ų118.379%0.78681%0.807SS**PPolyproline II helixtrans-63.2158.1167.3-20.533.6000112.6
1226G38.7Very low36.9Very low70 Ų70118.1 Ų118.172%0.72281%0.806SS**PPolyproline II helixtrans-81.6141.6176.600000113.3
1227P43Very low36.8Very low122 Ų122121.1 Ų121.179%0.79281%0.81SS**PPolyproline II helixtrans-96.6129.6173.133.8-30.1000113.1
1228P34.7Very low36.8Very low127 Ų127121.1 Ų121.183%0.82581%0.81SS**PPolyproline II helixtrans-70.1166159.7-18.133.3000112.7
1229G35.4Very low36.7Very low78 Ų78115.9 Ų115.980%0.80480%0.804SS**  trans-78.8-163.6-177.700000115.3
1230S32.8Very low37.2Very low116 Ų116115 Ų11581%0.81180%0.8SS**  cis-165.1161.64.352.60000112.3
1231L37.8Very low36.7Very low174 Ų174115.2 Ų115.291%0.91180%0.802SS**  trans57.5125.8151.9-156.373.6000121.8
1232G36.3Very low36.4Very low73 Ų73115.2 Ų115.275%0.75380%0.8SS**  trans-173.3136161.600000110.1
1233S31.8Very low36.5Very low115 Ų115117.1 Ų117.180%0.80480%0.802SS**  trans-122.6-156.7-158.658.70000114.3
1234P47.9Very low36.5Very low129 Ų129116.8 Ų116.884%0.83880%0.798SS**  -114.8175.5-118.334.5-15.1000116.2
1235G36.7Very low36.3Very low77 Ų77120.9 Ų120.979%0.79480%0.802SS**  trans-150.5149.8171.600000112.5
1236Q29.2Very low36.3Very low184 Ų184123.6 Ų123.686%0.8680%0.804SS**  trans-110.6148.2-157.8-67.5175.8-23.700116.4
1237Q32.8Very low36.3Very low175 Ų175123.1 Ų123.182%0.81880%0.798SS**  trans49.7131.4131.3-165.6173.3-200122.6
1238G35.8Very low35.9Very low78 Ų78126.8 Ų126.880%0.80480%0.802SS**  trans-173.9121.3161.800000113.5
1239V33.6Very low36Very low125 Ų125127 Ų12776%0.75880%0.801SS**  trans-121.6-175.3-172.1-99.70000110.2
1240P45.5Very low36Very low127 Ų127126.6 Ų126.683%0.82580%0.797SS**  cis-138.4-172.1-34.935.8-16.9000113.9
1241G33.3Very low36Very low69 Ų69127.4 Ų127.471%0.71179%0.788SS**  trans139.3151.415200000115.8
1242V31.1Very low35.8Very low137 Ų137128.4 Ų128.483%0.8378%0.78SS**  cis-160.7157.2-9.5-152.20000108.4
1243M39.2Very low36.3Very low181 Ų181127.9 Ų127.989%0.89277%0.774SS**  trans64.3142.2148.2-167.717062.800119.3
1244G36.2Very low36.7Very low61 Ų61127.9 Ų127.963%0.62977%0.774SS**  cis157.6155.1-8.600000112.2
1245K32.5Very low36.3Very low200 Ų200130.3 Ų130.387%0.8777%0.774SS**  trans71.9154.2169.4-60-178.5-175.4-179.80116.1
1246Q38.3Very low36.3Very low178 Ų178129.8 Ų129.883%0.83277%0.769SS**  cis-164.8163.7-12.5159.3174.5-800107.3
1247G38.1Very low36.6Very low59 Ų59128 Ų12861%0.60877%0.765SS**  trans-129.7178.5-179.500000116.4
1248K33.9Very low36.8Very low200 Ų200128.7 Ų128.787%0.8777%0.768SS**  trans98.9145160.2-61.3-169.7175.1-175.20120
1249T37.2Very low36.8Very low131 Ų131128 Ų12880%0.80476%0.761SS**  trans72.2139.6160.8-42.60000114.1
1250G35.5Very low37Very low69 Ų69131.9 Ų131.971%0.71177%0.768SS**  cis161.3176.710.100000105.9
1251E33.1Very low36.8Very low133 Ų133134.7 Ų134.762%0.62177%0.77SS**  cis-173.3159.95.3-118.9-175.1166.300109.1
1252R34.6Very low36.8Very low196 Ų196135 Ų13574%0.7477%0.773SS**  trans57.2145.4138.5-162.2175.7-68.1116.79.6119.7
1253G45.6Very low37.2Very low61 Ų61136 Ų13663%0.62977%0.774SS**  cis118.4141.45.400000112.8
1254S39.7Very low37.5Very low116 Ų116133 Ų13381%0.81177%0.768SS**  trans-174.4157167.654.70000110.2
1255E40.3Very low37.7Very low179 Ų179133.4 Ų133.484%0.83677%0.772SS**  cis-168.7163.5-38.7-117.5176.9103.300106.9
1256G36.4Very low38.1Very low67 Ų67131.8 Ų131.869%0.69177%0.771SS**  cis-154.1-146.9-400000107.3
1257L36.6Very low38.5Very low147 Ų147128.7 Ų128.777%0.7777%0.767SS**  cis-148.3145.5-7-88170.2000108.4
1258Q36.5Very low38.6Very low188 Ų188129.3 Ų129.388%0.87977%0.772SS**  trans46124.7140.8-160.4174.529.100120.4
1259G35.7Very low38.8Very low65 Ų65128.1 Ų128.167%0.6778%0.776SS**  cis141.7142.2-1.300000111.9
1260K38.3Very low39Very low205 Ų205133.3 Ų133.389%0.89178%0.781SS**  trans-171.7133.2153.7-108.8166.4-170.1-177.90113.6
1261Q40.4Very low39.2Very low186 Ų186132.7 Ų132.787%0.86977%0.774SS**  trans9.5132146.1-163.2165.7-6.400119.4
1262G34.2Very low39.6Very low75 Ų75133 Ų13377%0.77379%0.787SS**PPolyproline II helixtrans-84.9163.2-174.700000116.2
1263D39.5Very low39.8Very low159 Ų159133.6 Ų133.685%0.8580%0.795SS**PPolyproline II helixtrans-100.4156.1-176.5-74.7-52.5000113.8
1264P46Very low39.4Very low118 Ų118133.9 Ų133.977%0.76680%0.798SS**PPolyproline II helixtrans-79.4166.6-170.7-13.231.4000114.8
1265G38.5Very low39.2Very low70 Ų70134.6 Ų134.672%0.72280%0.803SS**PPolyproline II helixtrans-58.4140.6179.300000114.4P1267G1265-P1267 WeakPolarHBondContact O-CD 3.4Å
1266I41.1Very low39.1Very low165 Ų165135.8 Ų135.885%0.84681%0.805SS**PPolyproline II helixtrans-66.8122.9-174.1-57173.8000110.6
1267P47.2Very low39.2Very low114 Ų114135.7 Ų135.774%0.7480%0.804SS**PPolyproline II helixtrans-71.1143.2173-17.532.1000112.1G1265G1265-P1267 WeakPolarHBondContact O-CD 3.4Å
1268G41.5Very low39.1Very low71 Ų71133.5 Ų133.573%0.73280%0.797SS**PPolyproline II helixtrans-66.4149177.800000113.9R1270G1268-R1270 PolarHBondContact O-N 3.22Å; G1268-R1270 VanDerWaalsContact O-N 3.13Å
1269D37.5Very low39.3Very low176 Ų176135.6 Ų135.694%0.94180%0.799SS**  trans-59.3113-173-74.8-45.6000113.4
1270R41Very low39.6Very low240 Ų240135.7 Ų135.791%0.90680%0.8SS**  trans-87.6112.9169.6-174.3-180-174.3177.42.1108.5G1268G1268-R1270 PolarHBondContact O-N 3.22Å; G1268-R1270 VanDerWaalsContact O-N 3.13Å
1271G40.1Very low39.6Very low55 Ų55131.8 Ų131.857%0.56780%0.795SS**  trans-55.1150.1179.700000113.8K1273G1271-K1273 PolarHBondContact O-N 2.94Å
1272P41.9Very low39.6Very low139 Ų139129.6 Ų129.690%0.90380%0.795SS**  trans-69.799.8-176.628.1-34.6000111.4G1274P1272-G1274 PolarHBondContact O-N 3.08Å
1273K37Very low39.8Very low210 Ų210128.9 Ų128.991%0.91379%0.787SS**  trans-91.192.9169.7-171.3177.9-178.8177.90110.7G1271G1271-K1273 PolarHBondContact O-N 2.94Å
1274G37.3Very low40Very low66 Ų66127.5 Ų127.568%0.6879%0.787SS**  trans48.4108.4150.100000119.5P1272P1272-G1274 PolarHBondContact O-N 3.08Å
1275S35.8Very low39.6Very low132 Ų132130 Ų13092%0.92379%0.792SS**  trans-67.2129.8144.844.30000109.3
1276K38.7Very low40.1Very low203 Ų203129.8 Ų129.888%0.88379%0.79SS**  trans-138.9123.4176.5-169.2-177.8-175-176.10109
1277G39.4Very low39.8Very low65 Ų65127.7 Ų127.767%0.6779%0.788SS**  trans153.1129.4174.500000112.5
1278T33Very low39.5Very low101 Ų101128.3 Ų128.362%0.6279%0.792SS**  cis170.6119.7-4435.60000106.2
1279Y41Very low39.3Very low233 Ų233128 Ų12891%0.91479%0.789SS**  trans62141.2173.5-48.6-75.8000116.1
1280G42.2Very low39.4Very low67 Ų67126.2 Ų126.269%0.69179%0.787SS**  cis149.5138.33.200000107.9
1281P37.8Very low39.1Very low122 Ų122122.5 Ų122.579%0.79278%0.777SS**  -153.9151.597.736.5-16.9000117.9
1282V40.3Very low39.4Very low141 Ų141123.4 Ų123.486%0.85579%0.787SS**  trans55.9113.3139.8-176.80000121.1
1283G39.3Very low39Very low59 Ų59123 Ų12361%0.60877%0.773SS**  51.3119.512400000120.1
1284P42.6Very low38.6Very low131 Ų131119.2 Ų119.285%0.85176%0.758SS**  -107.1106.379.730.1-34000110.8
1285L38.4Very low39.1Very low169 Ų169118.4 Ų118.489%0.88575%0.75SS**  46.891.690.6-163.869.6000111.6
1286G49.2Very low38.6Very low66 Ų66117.9 Ų117.968%0.6874%0.741SS**PPolyproline II helixtrans-80.9153.2-17000000114.3
1287P35.3Very low38.5Very low122 Ų122113.2 Ų113.279%0.79273%0.731SS**PPolyproline II helixtrans-77.4170.6149160000111.2
1288P40.8Very low38.1Very low126 Ų126113.7 Ų113.782%0.81874%0.736SS**PPolyproline II helixtrans-73160-155.4-2235000116.7
1289G35.7Very low38Very low66 Ų66117.6 Ų117.668%0.6875%0.752SS**PPolyproline II helixtrans-67.1144.917200000112.7K1291G1289-K1291 PolarHBondContact O-N 3.01Å
1290P40.8Very low37.8Very low137 Ų137116.1 Ų116.189%0.8975%0.753SS**PPolyproline II helixtrans-67.3116.1175.426.4-32.3000111.1
1291K34.5Very low37.3Very low163 Ų163116.2 Ų116.271%0.70975%0.754SS**  trans-45.7141.1168.6-173.5-171.3-173.5-168.70112.4G1289 E1293G1289-K1291 PolarHBondContact O-N 3.01Å; K1291-E1293 HydrophobicContact CD-CG 4.44Å; K1291-E1293 VanDerWaalsContact CE-OE1 3.27Å; K1291-E1293 WeakPolarHBondContact CE-OE1 3.42Å; K1291-E1293 IonicContact NZ-OE1 2.61Å; K1291-E1293 PolarHBondContact NZ-OE1 3.08Å
1292G47Very low37.6Very low74 Ų74114.5 Ų114.576%0.76375%0.75SS**  trans-81.5124.3164.200000111.7
1293E33.2Very low37.3Very low131 Ų131115.7 Ų115.761%0.61274%0.74SS**  trans-129123.8159.5-84.2177-173.100105.7K1291K1291-E1293 HydrophobicContact CD-CG 4.44Å; K1291-E1293 VanDerWaalsContact CE-OE1 3.27Å; K1291-E1293 WeakPolarHBondContact CE-OE1 3.42Å; K1291-E1293 IonicContact NZ-OE1 2.61Å; K1291-E1293 PolarHBondContact NZ-OE1 3.08Å
1294Q29.2Very low37.1Very low130 Ų130115.7 Ų115.761%0.60774%0.74SS**  76.4127.272.2-164.3174.521.100111.3G1136 I1137G1136-Q1294 PolarHBondContact O-NE2 3.36Å; I1137-Q1294 HydrophobicContact CB-CG 4.45Å; I1137-Q1294 HydrophobicContact CG1-CG 3.83Å; I1137-Q1294 HydrophobicContact CG2-CG 4.1Å
1295G46.8Very low37.2Very low49 Ų49111.7 Ų111.751%0.50571%0.713SS.*  trans-80.9-157.3-179.600000113.6I1137I1137-G1295 WeakPolarHBondContact CG1-O 3.01Å; I1137-G1295 VanDerWaalsContact CG2-O 3.23Å; I1137-G1295 WeakPolarHBondContact CG2-O 3.3Å
1296V25Very low37Very low121 Ų121109.7 Ų109.773%0.73371%0.707SS**  trans-158.9160.5150-116.60000106.6I1137I1137-V1296 HydrophobicContact CB-CG1 4.16Å; I1137-V1296 HydrophobicContact CG2-CB 4.28Å; I1137-V1296 HydrophobicContact CG2-CG1 3.43Å; I1137-V1296 VanDerWaalsContact CG2-CG1 3.43Å
1297P36.1Very low36.2Very low105 Ų105108.1 Ų108.168%0.68269%0.691SS**  trans-99.6-167.2-152.5-0.524.2000114.7
1298G32.5Very low36Very low74 Ų74107.6 Ų107.676%0.76368%0.681SS**  trans-69.8175.5-169.700000117.1
1299L31Very low35.7Very low183 Ų183105.1 Ų105.196%0.95866%0.657SS**  trans-117.695176.6-73.5168.5000110.4
1300E35.8Very low35.7Very low203 Ų203103.9 Ų103.995%0.94964%0.644SS**  trans-119.5135.3142.5-170.6173.3-130.200106
1301G31.8Very low35.2Very low69 Ų69103.3 Ų103.371%0.71163%0.63SS**  cis-155.3-166.2-1.600000111.1
1302A44.7Very low35.5Very low85 Ų85107.1 Ų107.170%0.70264%0.639SS**  trans-79.2141-178.500000113
1303R33.7Very low35.8Very low167 Ų167106.6 Ų106.663%0.6363%0.634SS**  -168.3134.1113.3-156.5172.5-167.113511.3111D553D553-R1303 VanDerWaalsContact CG-NH2 3.3Å; D553-R1303 IonicContact OD1-CZ 3.28Å; D553-R1303 VanDerWaalsContact OD1-CZ 3.28Å; D553-R1303 IonicContact OD1-NH1 2.66Å; D553-R1303 PolarHBondContact OD1-NH1 2.83Å; D553-R1303 IonicContact OD1-NH2 2.68Å; D553-R1303 PolarHBondContact OD1-NH2 3.24Å; D553-R1303 VanDerWaalsContact OD1-NH2 3.13Å; D553-R1303 IonicContact OD2-CZ 3.69Å; D553-R1303 IonicContact OD2-NH1 3.78Å; D553-R1303 IonicContact OD2-NH2 2.8Å; D553-R1303 PolarHBondContact OD2-NH2 2.98Å
1304G35.4Very low35.9Very low59 Ų59106.7 Ų106.761%0.60865%0.646SS**  trans-179.321.6-176.900000121.3
1305V43.7Very low36.6Very low47 Ų47107.2 Ų107.229%0.28566%0.657SS.*  trans-63.1151.3143.6-105.60000107G548 P550G548-V1305 WeakPolarHBondContact O-CG1 3.21Å; G548-V1305 PolarHBondContact O-N 3.42Å; P550-V1305 HydrophobicContact CB-CG2 3.66Å; P550-V1305 HydrophobicContact CG-CG1 4.34Å; P550-V1305 HydrophobicContact CG-CG2 3.74Å; P550-V1305 VanDerWaalsContact N-CG2 3.3Å
1306V35Very low36.6Very low127 Ų127107.7 Ų107.777%0.7766%0.663SS**  cis-135157.129.1175.10000107.3
1307G32.3Very low37.4Very low33 Ų33108.2 Ų108.234%0.3467%0.668SS.*  cis-171.8-173.82.100000106.5S547S547-G1307 VanDerWaalsContact OG-C 3.25Å; S547-G1307 WeakPolarHBondContact OG-CA 3.39Å; S547-G1307 PolarHBondContact OG-N 3.41Å; S547-G1307 PolarHBondContact OG-O 3.15Å
1308L30.9Very low37.8Very low110 Ų110107.9 Ų107.958%0.57667%0.674SS**  cis-160.2122.515.9-89.7166.1000109.5S544 G545S544-L1308 CarbonylContact C-O 3.6Å; S544-L1308 WeakPolarHBondContact CA-O 3.1Å; S544-L1308 WeakPolarHBondContact CB-O 3.38Å; S544-L1308 PolarHBondContact N-O 3.27Å; G545-L1308 PolarHBondContact N-O 2.93Å; G545-L1308 VanDerWaalsContact N-O 3.13Å; G545-L1308 CarbonylContact O-C 2.84Å; G545-L1308 WeakPolarHBondContact O-CA 3.31Å; G545-L1308 PolarHBondContact O-N 2.87Å
1309K35.6Very low38.6Very low75 Ų75107.8 Ų107.833%0.32667%0.673SS.*  trans59.597.5139.3-171-161.2169.4-153.70119G542 R543 S544 G545G542-K1309 PolarHBondContact O-NZ 3.16Å; R543-K1309 CarbonylContact C-O 3.59Å; R543-K1309 WeakPolarHBondContact CA-O 3.47Å; R543-K1309 WeakPolarHBondContact CB-O 3.33Å; R543-K1309 WeakPolarHBondContact CD-O 3.29Å; R543-K1309 HydrophobicContact CG-CD 3.74Å; R543-K1309 VanDerWaalsContact CG-CE 3.49Å; R543-K1309 HydrophobicContact CG-CG 3.74Å; R543-K1309 WeakPolarHBondContact CG-O 3.43Å; S544-K1309 CarbonylContact C-O 3.58Å; S544-K1309 PolarHBondContact N-O 3.27Å; S544-K1309 CarbonylContact O-C 2.9Å; G545-K1309 PolarHBondContact O-N 2.77Å
1310G33.8Very low39.1Very low39 Ų39107 Ų10740%0.40267%0.67SS.*  trans-124.5134.2167.100000112.5R543 S544R543-G1310 PolarHBondContact NH1-O 2.9Å; S544-G1310 WeakPolarHBondContact O-CA 3.41Å; S544-G1310 PolarHBondContact O-N 2.87Å; S544-G1310 VanDerWaalsContact O-N 3.11Å
1311E30.9Very low39.8Very low126 Ų126102.8 Ų102.859%0.58966%0.66SS**  trans-93.1166.5-162.8-137.8131.9-146.700115.3R543 G1313R543-E1311 WeakPolarHBondContact CD-OE2 3.31Å; R543-E1311 IonicContact CZ-OE1 3.59Å; R543-E1311 VanDerWaalsContact CZ-OE1 3.23Å; R543-E1311 IonicContact CZ-OE2 2.65Å; R543-E1311 IonicContact NE-OE1 2.75Å; R543-E1311 PolarHBondContact NE-OE1 2.79Å; R543-E1311 IonicContact NE-OE2 3.89Å; R543-E1311 PolarHBondContact NE-OE2 2.88Å; R543-E1311 IonicContact NH2-OE1 3.36Å; R543-E1311 PolarHBondContact NH2-OE1 3.32Å; R543-E1311 IonicContact NH2-OE2 3.9Å; E1311-G1313 PolarHBondContact O-N 2.85Å
1312R40.7Very low40.4Very low243 Ų243103.2 Ų103.292%0.91767%0.665SS**  trans-56124.2162173.4-178.5-83.3-175.6-6.5108.5
1313G54.4Low40.5Very low62 Ų62108.4 Ų108.464%0.63968%0.675SS**  trans-81-175.1-166.400000116.4E1311E1311-G1313 PolarHBondContact O-N 2.85Å
1314P35.5Very low41.1Very low133 Ų133106.4 Ų106.486%0.86468%0.683SS**PPolyproline II helixtrans-89.4163.3176.436.1-33000113.2
1315V42.4Very low41.7Very low141 Ų141106.8 Ų106.886%0.85569%0.687SS**PPolyproline II helixtrans-77.8150-176.7173.20000111.2
1316G48.1Very low41.9Very low60 Ų60111 Ų11162%0.61972%0.716SS**PPolyproline II helixtrans-66.7144.5171.400000111.8
1317P41.4Very low42.6Very low131 Ų131110.8 Ų110.885%0.85172%0.72SS**PPolyproline II helixtrans-63.9149.4-17326.8-34.8000112.7
1318A43.8Very low43.3Very low98 Ų98112.2 Ų112.281%0.8174%0.735SS**PPolyproline II helixtrans-68.1151169.800000110.6
1319G49.7Very low44.1Very low72 Ų72113.4 Ų113.474%0.74275%0.749SS**PPolyproline II helixtrans-70.1155.3-177.800000113.9
1320D42.1Very low44.9Very low166 Ų166118 Ų11889%0.88878%0.775SS**PPolyproline II helixtrans-64.8147.6-179.2-67.8-57.5000112.9
1321P50.3Low45.7Very low115 Ų115118.8 Ų118.875%0.74778%0.784SS**PPolyproline II helixtrans-96.8147.5-159.7-2.924.8000114.2
1322G44.6Very low46.6Very low78 Ų78119.1 Ų119.180%0.80480%0.796SS**PPolyproline II helixtrans-71141157.200000111.2
1323Q45.5Very low46.9Very low195 Ų195116.7 Ų116.791%0.91180%0.796SS**PPolyproline II helixtrans-72.5157.8-168.6-73.7-179.3-13.600115
1324P47.9Very low46.9Very low125 Ų125116.6 Ų116.681%0.81280%0.795SS**PPolyproline II helixtrans-89.5151-169.8-1.421.9000114.1
1325G47.5Very low47.4Very low67 Ų67116.5 Ų116.569%0.69179%0.794SS**PPolyproline II helixtrans-89.2148.2159.500000111.6
1326P47.3Very low47.3Very low136 Ų136113.7 Ų113.788%0.88379%0.785SS**PPolyproline II helixtrans-77.5150.9-167.530.4-36.1000115
1327S50Low47.2Very low122 Ų122114.2 Ų114.285%0.85379%0.791SS**PPolyproline II helixtrans-72.8141.3-174.4-47.90000114.8
1328G47.7Very low47.2Very low63 Ų63116.4 Ų116.465%0.64979%0.79SS**PPolyproline II helixtrans-82.1153.8158.500000111.9
1329P46.9Very low47.6Very low134 Ų134117.8 Ų117.887%0.8779%0.79SS**PPolyproline II helixtrans-74.5145.9-171.129.9-35.6000113.8
1330I51.9Low47.5Very low171 Ų171117.2 Ų117.288%0.87778%0.784SS**PPolyproline II helixtrans-76.8129.7179.2-69.2169.6000110.4
1331G51.6Low47.7Very low57 Ų57115.1 Ų115.159%0.58878%0.78SS**PPolyproline II helixtrans-76.1150.5167.100000111.9
1332P48.4Very low47.8Very low132 Ų132115.7 Ų115.786%0.85778%0.783SS**PPolyproline II helixtrans-67.5151.2-170.127.6-35.4000113.9
1333E47.5Very low47.9Very low193 Ų193115.4 Ų115.490%0.90278%0.781SS**PPolyproline II helixtrans-65.8129-177.7-169.2172.2-166.200112.3
1334G54.1Low47.8Very low60 Ų60113.9 Ų113.962%0.61978%0.778SS**PPolyproline II helixtrans-75.4141173.400000111.4
1335P46.4Very low47.9Very low131 Ų131113.5 Ų113.585%0.85178%0.775SS**PPolyproline II helixtrans-67.3146.5-170.426.9-35.2000113.3G1337P1335-G1337 PolarHBondContact O-N 3.48Å
1336A41.2Very low47.7Very low81 Ų81113.7 Ų113.767%0.66978%0.777SS**PPolyproline II helixtrans-62.6116.6-174.500000113.5H1338A1336-H1338 PolarHBondContact O-N 3.42Å; A1336-H1338 PolarHBondContact O-ND1 2.77Å
1337G45.5Very low47.6Very low72 Ų72113.5 Ų113.574%0.74277%0.773SS**PPolyproline II helixtrans-60.8118.1165.300000110.2P1335 P1339P1335-G1337 PolarHBondContact O-N 3.48Å; G1337-P1339 WeakPolarHBondContact O-CD 3.45Å
1338H41.7Very low47.4Very low176 Ų176113.2 Ų113.282%0.81577%0.769SS**PPolyproline II helixtrans-67.5125.3-172.2-57.33000110.9A1336 G1340A1336-H1338 PolarHBondContact O-N 3.42Å; A1336-H1338 PolarHBondContact O-ND1 2.77Å; H1338-G1340 PolarHBondContact O-N 3.12Å
1339P51.2Low47.2Very low127 Ų127113.5 Ų113.583%0.82577%0.772SS**PPolyproline II helixtrans-61.1128.7163.4-19.433000108.9G1337G1337-P1339 WeakPolarHBondContact O-CD 3.45Å
1340G47.1Very low46.8Very low60 Ų60116.3 Ų116.362%0.61977%0.774SS**PPolyproline II helixtrans-59.6160.8-179.500000112.9H1338H1338-G1340 PolarHBondContact O-N 3.12Å
1341P47.1Very low46.4Very low123 Ų123117.8 Ų117.880%0.79977%0.773SS**PPolyproline II helixtrans-56145-179.224.8-34.5000110.8G1343P1341-G1343 PolarHBondContact O-N 3.48Å; P1341-G1343 VanDerWaalsContact O-N 3.14Å
1342P52.7Low46Very low126 Ų126117.9 Ų117.982%0.81877%0.774SS**PPolyproline II helixtrans-50.7124.4175.6-26.634.5000110.3L1344P1342-L1344 PolarHBondContact O-N 2.85Å
1343G46Very low45.5Very low72 Ų72117 Ų11774%0.74277%0.772SS**PPolyproline II helixtrans-53.8129.7175.500000109.4P1341P1341-G1343 PolarHBondContact O-N 3.48Å; P1341-G1343 VanDerWaalsContact O-N 3.14Å
1344L43.8Very low45.6Very low163 Ų163113.2 Ų113.285%0.85377%0.767SS**PPolyproline II helixtrans-48.3139.1179.2-76.2165.6000109.8P1342 G1346P1342-L1344 PolarHBondContact O-N 2.85Å; L1344-G1346 PolarHBondContact O-N 3.41Å
1345P49.9Very low45.2Very low117 Ų117113.1 Ų113.176%0.7677%0.765SS**PPolyproline II helixtrans-48.8122.4178.4-27.134.1000109.7V1347P1345-V1347 PolarHBondContact O-N 2.81Å
1346G43.9Very low45Very low71 Ų71112.9 Ų112.973%0.73276%0.764SS**PPolyproline II helixtrans-51.8120.8179.900000108.7L1344 P1348L1344-G1346 PolarHBondContact O-N 3.41Å; G1346-P1348 VanDerWaalsContact O-N 3.17Å
1347V44.2Very low45.3Very low132 Ų132113.6 Ų113.680%0.877%0.769SS**PPolyproline II helixtrans-48.2126.2-176.9-167.80000107.4P1345 G1349P1345-V1347 PolarHBondContact O-N 2.81Å; V1347-G1349 PolarHBondContact O-N 3.27Å
1348P46.1Very low45Very low116 Ų116112.9 Ų112.975%0.75376%0.762SS**  trans-48.9115.6-178.7-29.435000108.9G1346 Q1350G1346-P1348 VanDerWaalsContact O-N 3.17Å; P1348-Q1350 PolarHBondContact O-N 2.85Å
1349G44.6Very low44.9Very low70 Ų70110.1 Ų110.172%0.72276%0.76SS**  trans-51.2129.9-172.300000108.5V1347 K1351V1347-G1349 PolarHBondContact O-N 3.27Å; G1349-K1351 PolarHBondContact O-N 3.46Å
1350Q38.3Very low44.5Very low193 Ų193109.8 Ų109.890%0.90276%0.758SS**  trans-44.9117.1-176.3-83.2-173.2-400108.2P1348 G1352P1348-Q1350 PolarHBondContact O-N 2.85Å; Q1350-G1352 PolarHBondContact O-N 2.91Å
1351K42.2Very low43.9Very low201 Ų201109.7 Ų109.787%0.87476%0.756SS**  trans-46.4110.8176.2179.5179.8-176.3178.30105.7G1349 S1353G1349-K1351 PolarHBondContact O-N 3.46Å; K1351-S1353 PolarHBondContact O-N 3.32Å
1352G43.8Very low43.4Very low59 Ų59106.5 Ų106.561%0.60874%0.736SS**  trans-49131.1-172.100000107.9Q1350 S1354Q1350-G1352 PolarHBondContact O-N 2.91Å; G1352-S1354 PolarHBondContact O-N 3.32Å; G1352-S1354 VanDerWaalsContact O-N 3.07Å
1353S39Very low42.5Very low115 Ų115104.7 Ų104.780%0.80472%0.724SS**  trans-45.4126.4172.651.20000106.5K1351 G1355K1351-S1353 PolarHBondContact O-N 3.32Å; S1353-G1355 PolarHBondContact O-N 2.98Å; S1353-G1355 VanDerWaalsContact O-N 3.08Å
1354S49.2Very low41.8Very low113 Ų113104.2 Ų104.279%0.7972%0.719SS**  trans-38.7126.1174.5-44.30000107G1352G1352-S1354 PolarHBondContact O-N 3.32Å; G1352-S1354 VanDerWaalsContact O-N 3.07Å
1355G45.9Very low41.4Very low57 Ų57100.7 Ų100.759%0.58871%0.706SS**  trans-47.7142.5170.600000107.3S1353 A1357S1353-G1355 PolarHBondContact O-N 2.98Å; S1353-G1355 VanDerWaalsContact O-N 3.08Å; G1355-A1357 PolarHBondContact O-N 3.33Å; G1355-A1357 VanDerWaalsContact O-N 3.08Å
1356P42.1Very low40.6Very low127 Ų127101.4 Ų101.483%0.82570%0.702SS**  trans-45.9131172.123-33.3000106.4G1358P1356-G1358 PolarHBondContact O-N 2.69Å
1357A46.3Very low40Very low95 Ų95103.8 Ų103.879%0.78569%0.692SS**  trans-45.3126176.700000105.8G1355G1355-A1357 PolarHBondContact O-N 3.33Å; G1355-A1357 VanDerWaalsContact O-N 3.08Å
1358G39.8Very low39.5Very low57 Ų57102.4 Ų102.459%0.58868%0.684SS**  trans-48.4142.4178.500000107.4P1356 P1360P1356-G1358 PolarHBondContact O-N 2.69Å; G1358-P1360 VanDerWaalsContact O-N 3.09Å
1359P40Very low38.7Very low118 Ų118101 Ų10177%0.76667%0.67SS**SBendtrans-44.1129.7174.121.8-33.2000106.6G1361P1359-G1361 PolarHBondContact O-N 3.46Å
1360P42.6Very low38Very low121 Ų121104.4 Ų104.479%0.78667%0.671SS**  trans-42.3122.5-175.5-30.134.4000107.3G1358G1358-P1360 VanDerWaalsContact O-N 3.09Å
1361G35.4Very low37.8Very low57 Ų57102.5 Ų102.559%0.58866%0.664SS**  trans-48.5134.8-17500000107.4P1359 P1363P1359-G1361 PolarHBondContact O-N 3.46Å; G1361-P1363 VanDerWaalsContact O-N 3.13Å
1362P36.2Very low37.4Very low57 Ų5797.2 Ų97.237%0.3765%0.653SS.*SBendtrans-39.4127.2-179.611.4-27.2000108.2G1364 E1458 F1459P1362-G1364 PolarHBondContact O-N 3.32Å; P1362-E1458 HydrophobicContact CB-CB 4.21Å; P1362-E1458 HydrophobicContact CB-CG 4.22Å; P1362-E1458 VanDerWaalsContact CB-OE1 3.26Å; P1362-E1458 WeakPolarHBondContact CB-OE1 3.37Å; P1362-E1458 WeakPolarHBondContact CB-OE2 3.39Å; P1362-F1459 HydrophobicContact CB-CD2 4.48Å; P1362-F1459 HydrophobicContact CB-CE2 3.9Å; P1362-F1459 HydrophobicContact CG-CE2 4.42Å
1363P34.1Very low36.8Very low87 Ų87104 Ų10457%0.56567%0.669SS**  trans-44.8107.5-168.5-30.134.6000109.2G1361 P1365G1361-P1363 VanDerWaalsContact O-N 3.13Å; P1363-P1365 WeakPolarHBondContact O-CA 3.35Å
1364G31.1Very low36.3Very low63 Ų63101.6 Ų101.665%0.64966%0.662SS**  trans-51123.9-172.100000106.8P1362 I1366P1362-G1364 PolarHBondContact O-N 3.32Å; G1364-I1366 PolarHBondContact O-N 2.81Å; G1364-I1366 VanDerWaalsContact O-N 3.17Å
1365P35.8Very low35.5Very low88 Ų88106.5 Ų106.557%0.57166%0.664SS**  trans-41.3119-144.311.1-29.7000109.5P1363 K1367P1363-P1365 WeakPolarHBondContact O-CA 3.35Å; P1365-K1367 PolarHBondContact O-N 2.82Å
1366I31.7Very low34.9Very low133 Ų133113 Ų11368%0.68267%0.673SS**  trans-43.8107.6-172.1-65172.8000107G1364 V1368G1364-I1366 PolarHBondContact O-N 2.81Å; G1364-I1366 VanDerWaalsContact O-N 3.17Å; I1366-V1368 WeakPolarHBondContact O-CG2 3.1Å; I1366-V1368 PolarHBondContact O-N 3.21Å
1367K31Very low34.3Very low121 Ų121117.1 Ų117.153%0.52667%0.672SS.*  trans-54.4115.5169-81.3175.7151.4-150.30105P1365 L1369 E1427P1365-K1367 PolarHBondContact O-N 2.82Å; K1367-L1369 PolarHBondContact O-N 2.96Å; K1367-E1427 VanDerWaalsContact CD-OE1 3.25Å; K1367-E1427 WeakPolarHBondContact CD-OE1 3.21Å; K1367-E1427 WeakPolarHBondContact CE-OE1 3.47Å; K1367-E1427 WeakPolarHBondContact CE-OE2 3.22Å; K1367-E1427 IonicContact NZ-OE1 3.46Å; K1367-E1427 PolarHBondContact NZ-OE1 3.47Å; K1367-E1427 IonicContact NZ-OE2 3.38Å; K1367-E1427 PolarHBondContact NZ-OE2 3.3Å
1368V33.9Very low33.8Very low102 Ų102121 Ų12162%0.61867%0.671SS**SBendtrans-75.673-179.3-175.10000107.9I1366 E1430I1366-V1368 WeakPolarHBondContact O-CG2 3.1Å; I1366-V1368 PolarHBondContact O-N 3.21Å; V1368-E1430 WeakPolarHBondContact CG2-OE1 2.96Å
1369L30.8Very low33.4Very low88 Ų88125 Ų12546%0.46167%0.674SS.*  trans-131.645.9169.1-70.5-178.4000108.7K1367 M1371 Y1423 E1427K1367-L1369 PolarHBondContact O-N 2.96Å; L1369-M1371 VanDerWaalsContact C-N 3.26Å; L1369-M1371 PolarHBondContact O-N 3.05Å; L1369-Y1423 HydrophobicContact CD2-CD1 4.01Å; L1369-Y1423 HydrophobicContact CD2-CE1 4.32Å; L1369-E1427 HydrophobicContact CD1-CG 4.29Å; L1369-E1427 VanDerWaalsContact CD1-OE1 3.24Å; L1369-E1427 WeakPolarHBondContact CD1-OE1 3.48Å
1370D28.9Very low33.3Very low140 Ų140126.3 Ų126.375%0.74968%0.675SS**  trans-85.282.4142.9-168.7-2.7000108.3S1372D1370-S1372 PolarHBondContact OD1-N 3.19Å
1371M34.3Very low32.9Very low153 Ų153126.1 Ų126.175%0.75467%0.672SS**  trans-110.682.7148.7-86.9-174.963.400107.2L1369 E1373L1369-M1371 VanDerWaalsContact C-N 3.26Å; L1369-M1371 PolarHBondContact O-N 3.05Å; M1371-E1373 PolarHBondContact O-N 2.8Å
1372S33.4Very low32.9Very low91 Ų91129.2 Ų129.264%0.63668%0.682SS**  trans-22.6127.615548.10000115D1370D1370-S1372 PolarHBondContact OD1-N 3.19Å
1373E30.3Very low32.7Very low202 Ų202137.8 Ų137.894%0.94471%0.707SS**SBendtrans24.7104.3147.2-55.8-171144.100119.3M1371M1371-E1373 PolarHBondContact O-N 2.8Å
1374G29.2Very low32.8Very low64 Ų64140.4 Ų140.466%0.6672%0.72SS**  trans136.1136.7151.100000116.2
1375Y31.8Very low33Very low215 Ų215149.2 Ų149.284%0.84373%0.734SS**  trans59.8110.4174-65.6-97.9000115.1
1376Y33.8Very low32.8Very low194 Ų194156.6 Ų156.676%0.76175%0.751SS**  -152.5129.957.1-80.1-85.6000112.1F1378Y1376-F1378 HydrophobicContact CD1-CD2 4.47Å; Y1376-F1378 HydrophobicContact CD1-CE2 4.31Å
1377R29Very low33.1Very low214 Ų214155.1 Ų155.181%0.80875%0.752SS**  trans-113.998.1170.9-172.7-176.9-172.7151.21.8108.3E1379R1377-E1379 HydrophobicContact CG-CG 4.48Å; R1377-E1379 IonicContact CZ-OE1 3.8Å; R1377-E1379 IonicContact NE-OE1 3.13Å; R1377-E1379 PolarHBondContact NE-OE1 2.79Å; R1377-E1379 IonicContact NH2-OE1 2.64Å
1378F37.3Very low33.2Very low176 Ų176157 Ų15777%0.77277%0.767SS**  trans-105.7110.3165.4-92.9-84000108.7Y1376Y1376-F1378 HydrophobicContact CD1-CD2 4.47Å; Y1376-F1378 HydrophobicContact CD1-CE2 4.31Å
1379E31.4Very low33.1Very low140 Ų140156.4 Ų156.465%0.65477%0.767SS**  trans-83.1120.5169.1-63.3-179.416800108R1377R1377-E1379 HydrophobicContact CG-CG 4.48Å; R1377-E1379 IonicContact CZ-OE1 3.8Å; R1377-E1379 IonicContact NE-OE1 3.13Å; R1377-E1379 PolarHBondContact NE-OE1 2.79Å; R1377-E1379 IonicContact NH2-OE1 2.64Å
1380D36.7Very low33.1Very low147 Ų147159.5 Ų159.579%0.78678%0.784SS**  trans-135.5101.4163.4-97.8-45.7000109.2
1381T34.8Very low33.4Very low117 Ų117157.6 Ų157.672%0.71879%0.788SS**  trans-106109.5171.250.60000109.2R1383T1381-R1383 PolarHBondContact O-N 2.91Å
1382P36.2Very low33.3Very low121 Ų121158.1 Ų158.179%0.78679%0.792SS**  trans-72101.5168.128.4-31000108.6V1384P1382-V1384 PolarHBondContact O-N 2.78Å; P1382-V1384 VanDerWaalsContact O-N 3.11Å
1383R30.9Very low33.2Very low238 Ų238164 Ų16490%0.89880%0.802SS**  trans-65.7106.4174.2-73.1179174.8167.4-0.6110.5T1381T1381-R1383 PolarHBondContact O-N 2.91Å
1384V36.8Very low33.5Very low141 Ų141161.6 Ų161.686%0.85579%0.791SS**  trans-117.9147.1159.5-175.40000109.2P1382P1382-V1384 PolarHBondContact O-N 2.78Å; P1382-V1384 VanDerWaalsContact O-N 3.11Å
1385R35.6Very low33.5Very low248 Ų248164.2 Ų164.294%0.93679%0.789SS**  trans-72.4157.5-155.4-74.4176.4169168.9-4.6115.7
1386R31.7Very low33.5Very low243 Ų243161.6 Ų161.692%0.91779%0.785SS**  trans-76.3140.9176.6-63.4172172163.6-5.1113.9
1387S36.9Very low33.3Very low103 Ų103162.7 Ų162.772%0.7279%0.789SS**  trans-157.7116.4140.950.70000106.7
1388I34.2Very low33.6Very low161 Ų161163.9 Ų163.983%0.82680%0.795SS**  56.3121.183.4-56.8167.6000110.7
1389S31Very low33.4Very low89 Ų89159.7 Ų159.762%0.62279%0.788SS**  cis-160.6177.1-1052.50000109.7
1390D31.7Very low33.3Very low153 Ų153161.4 Ų161.482%0.81879%0.793SS**  trans66.9105162.7-54.3-53.6000120.8
1391A34.8Very low33.1Very low100 Ų100161.5 Ų161.583%0.82679%0.789SS**  -177.3111.511900000111.9
1392L32.6Very low33.1Very low163 Ų163162.5 Ų162.585%0.85379%0.79SS**  trans-101.1156.3160.9-89.8158.5000108.9
1393Y30.7Very low33.5Very low215 Ų215161.9 Ų161.984%0.84379%0.786SS**  trans71124.1-167.9-62.9-104.3000112.6
1394H36.3Very low34Very low151 Ų151156.4 Ų156.470%0.69977%0.774SS**  cis-160.8145.435.4-137.8-24.6000112.9
1395N29.8Very low33.9Very low119 Ų119156.9 Ų156.964%0.63677%0.767SS**  trans48.5119.2146.7-70.39.3000124.1
1396Q31.8Very low34.1Very low161 Ų161149.9 Ų149.975%0.75276%0.757SS**  50.8145.8121.7-69.1-179.6-34.400122.2
1397Y29.4Very low34.6Very low217 Ų217145.2 Ų145.285%0.85175%0.748SS**  trans7498.7-177.6-71.5-97.8000115.3
1398Y36Very low35Very low238 Ų238143.4 Ų143.493%0.93373%0.733SS**  -164.7163.7113.6-109-76.4000111.6
1399S32.7Very low35.7Very low88 Ų88142 Ų14262%0.61573%0.734SS**  trans-37.9148.1-168.1-152.70000118.6Q1401S1399-Q1401 PolarHBondContact O-N 3.4Å
1400K29.4Very low36.4Very low177 Ų177145 Ų14577%0.7774%0.743SS**  trans-61.6116.2145.8-70.2-179.1176.8-176.90107.1
1401Q31.1Very low37.6Very low149 Ų149142 Ų14270%0.69673%0.73SS**  trans-105.9138.7159.1-76.4178.4-74.200107.4S1399S1399-Q1401 PolarHBondContact O-N 3.4Å
1402D35.8Very low38.5Very low138 Ų138145 Ų14574%0.73873%0.731SS**  trans-63.5144.5172.5-63.6-67.9000110.3D1404D1402-D1404 PolarHBondContact O-N 2.9Å
1403P45.2Very low39.7Very low107 Ų107140.2 Ų140.270%0.69571%0.71SS**THydrogen-bonded Turntrans-76.529.5-177.534.2-37.7000113.6R1421P1403-R1421 PolarHBondContact O-NH2 3.26Å
1404D39.9Very low41.9Very low123 Ų123134 Ų13466%0.65870%0.697SS**THydrogen-bonded Turntrans-109.96.1-173.1-80.3-1.7000113.5D1402 R1421D1402-D1404 PolarHBondContact O-N 2.9Å; D1404-R1421 IonicContact OD1-CZ 3.91Å; D1404-R1421 IonicContact OD1-NE 2.77Å; D1404-R1421 IonicContact OD1-NH2 3.27Å; D1404-R1421 PolarHBondContact OD1-NH2 2.81Å
1405E36Very low43.6Very low152 Ų152132 Ų13271%0.7170%0.696SS**SBendtrans-97.7142.9161.8-73.5-166.8126.200111.9
1406S38.4Very low45.9Very low101 Ų101128 Ų12871%0.70668%0.683SS**  trans78.155.2179.775.80000118.7T1408S1406-T1408 PolarHBondContact O-N 2.85Å; S1406-T1408 VanDerWaalsContact O-N 3.13Å
1407I43.6Very low48Very low145 Ų145122.1 Ų122.174%0.74466%0.662SS**  trans-74.384.2134.9-57.6180000106.9
1408T45.4Very low50.3Low65 Ų65114.7 Ų114.740%0.39964%0.639SS.*  trans-73.5150.7161.355.10000108.8S1406 N1410 T1411S1406-T1408 PolarHBondContact O-N 2.85Å; S1406-T1408 VanDerWaalsContact O-N 3.13Å; T1408-N1410 PolarHBondContact O-N 3.25Å; T1408-T1411 PolarHBondContact O-N 2.86Å; T1408-T1411 PolarHBondContact OG1-OG1 2.83Å; T1408-T1411 VanDerWaalsContact OG1-OG1 3.11Å
1409P48.9Very low52.2Low132 Ų132106.7 Ų106.786%0.85761%0.612SS**THydrogen-bonded Turntrans-59.1-9.1-179.3-25.835.2000115.5
1410N45.8Very low54.6Low150 Ų150111.5 Ų111.580%0.80262%0.617SS**THydrogen-bonded Turntrans-109.54.6-169.5-63.4-5.5000113.9T1408T1408-N1410 PolarHBondContact O-N 3.25Å
1411T56.4Low57Low90 Ų90108.3 Ų108.355%0.55260%0.6SS**  trans-124.398.1-179.6-34.60000111T1408 P1413T1408-T1411 PolarHBondContact O-N 2.86Å; T1408-T1411 PolarHBondContact OG1-OG1 2.83Å; T1408-T1411 VanDerWaalsContact OG1-OG1 3.11Å; T1411-P1413 WeakPolarHBondContact O-CD 3.01Å
1412I52.4Low59.4Low163 Ų163105.1 Ų105.184%0.83659%0.586SS**PPolyproline II helixtrans-69.9117.6174.7-56.9175000108
1413P59.5Low61.7Low64 Ų64103 Ų10342%0.41657%0.569SS.*PPolyproline II helixtrans-67.1136.9177.727.9-33.7000109.8T1411 V1418T1411-P1413 WeakPolarHBondContact O-CD 3.01Å; P1413-V1418 HydrophobicContact CB-CG2 3.94Å; P1413-V1418 HydrophobicContact CG-CG2 3.74Å
1414S75.4Confident63.7Low83 Ų83100.4 Ų100.458%0.5856%0.557SS**PPolyproline II helixtrans-60.7143.4-179.870.70000111.1G1416 A1417 V1418S1414-G1416 PolarHBondContact O-N 3.44Å; S1414-G1416 VanDerWaalsContact O-N 3.1Å; S1414-A1417 WeakPolarHBondContact O-CA 3.24Å; S1414-A1417 WeakPolarHBondContact O-CB 3.28Å; S1414-A1417 PolarHBondContact O-N 2.85Å; S1414-V1418 PolarHBondContact O-N 2.81Å; S1414-V1418 VanDerWaalsContact O-N 3.17Å
1415V72.8Confident65.9Low109 Ų109103.8 Ų103.866%0.66156%0.56SS**Hα-helixtrans-54-38-174.9-177.90000111.5A1417 V1418 L1419V1415-A1417 VanDerWaalsContact C-N 3.34Å; V1415-A1417 PolarHBondContact O-N 2.83Å; V1415-V1418 PolarHBondContact O-N 2.87Å; V1415-L1419 HydrophobicContact CG1-CD1 3.96Å; V1415-L1419 HydrophobicContact CG1-CG 4.36Å; V1415-L1419 WeakPolarHBondContact O-CB 3.46Å; V1415-L1419 WeakPolarHBondContact O-CG 3.22Å; V1415-L1419 PolarHBondContact O-N 2.82Å
1416G78.1Confident68.4Low36 Ų36100.8 Ų100.837%0.37155%0.548SS..Hα-helixtrans-71.3-17.8176.300000116S1414 R1420S1414-G1416 PolarHBondContact O-N 3.44Å; S1414-G1416 VanDerWaalsContact O-N 3.1Å; G1416-R1420 PolarHBondContact O-N 3.44Å; G1416-R1420 PolarHBondContact O-NE 2.73Å
1417A75.1Confident70.7Confident38 Ų3898 Ų9831%0.31452%0.524SS..Hα-helixtrans-82-40.2169.800000111S1414 V1415 R1420 R1421S1414-A1417 WeakPolarHBondContact O-CA 3.24Å; S1414-A1417 WeakPolarHBondContact O-CB 3.28Å; S1414-A1417 PolarHBondContact O-N 2.85Å; V1415-A1417 VanDerWaalsContact C-N 3.34Å; V1415-A1417 PolarHBondContact O-N 2.83Å; A1417-R1420 PolarHBondContact O-N 2.84Å; A1417-R1421 PolarHBondContact O-N 2.96Å; A1417-R1421 VanDerWaalsContact O-N 3.14Å
1418V78Confident72.9Confident60 Ų6094.7 Ų94.736%0.36451%0.513SS..Hα-helixtrans-63.3-48.2174-1780000110.6P1413 S1414 V1415 R1420 R1421 I1422P1413-V1418 HydrophobicContact CB-CG2 3.94Å; P1413-V1418 HydrophobicContact CG-CG2 3.74Å; S1414-V1418 PolarHBondContact O-N 2.81Å; S1414-V1418 VanDerWaalsContact O-N 3.17Å; V1415-V1418 PolarHBondContact O-N 2.87Å; V1418-R1420 VanDerWaalsContact C-N 3.35Å; V1418-R1420 PolarHBondContact O-N 3.2Å; V1418-R1421 WeakPolarHBondContact O-CB 3.32Å; V1418-R1421 PolarHBondContact O-N 2.85Å; V1418-R1421 VanDerWaalsContact O-N 3.15Å; V1418-I1422 HydrophobicContact CG1-CD1 3.96Å; V1418-I1422 WeakPolarHBondContact O-CG1 3.2Å; V1418-I1422 PolarHBondContact O-N 2.82Å
1419L76.5Confident74.8Confident70 Ų7096.7 Ų96.737%0.36652%0.521SS..Hα-helixtrans-58.8-41.5177.1-76.6169.9000112.6V1415 R1421 I1422 Y1423V1415-L1419 HydrophobicContact CG1-CD1 3.96Å; V1415-L1419 HydrophobicContact CG1-CG 4.36Å; V1415-L1419 WeakPolarHBondContact O-CB 3.46Å; V1415-L1419 WeakPolarHBondContact O-CG 3.22Å; V1415-L1419 PolarHBondContact O-N 2.82Å; L1419-R1421 PolarHBondContact O-N 3.41Å; L1419-I1422 PolarHBondContact O-N 2.91Å; L1419-I1422 VanDerWaalsContact O-N 3.16Å; L1419-Y1423 HydrophobicContact CB-CD2 4.48Å; L1419-Y1423 HydrophobicContact CB-CE2 4.34Å; L1419-Y1423 HydrophobicContact CD2-CE2 4.42Å; L1419-Y1423 WeakPolarHBondContact O-CD2 3.46Å; L1419-Y1423 PolarHBondContact O-N 3.05Å
1420R82.6Confident76.7Confident189 Ų18993.2 Ų93.271%0.71349%0.494SS*.Hα-helixtrans-64.8-37.5175.6-85.5-174.2-80.2-176.2-7.5113.2G1416 A1417 V1418 I1422 A1424G1416-R1420 PolarHBondContact O-N 3.44Å; G1416-R1420 PolarHBondContact O-NE 2.73Å; A1417-R1420 PolarHBondContact O-N 2.84Å; V1418-R1420 VanDerWaalsContact C-N 3.35Å; V1418-R1420 PolarHBondContact O-N 3.2Å; R1420-I1422 VanDerWaalsContact C-N 3.33Å; R1420-A1424 WeakPolarHBondContact O-CB 3.3Å; R1420-A1424 PolarHBondContact O-N 2.99Å
1421R79.2Confident78.4Confident111 Ų11188.9 Ų88.942%0.41948%0.479SS..Hα-helixtrans-64.3-35.9171-86.7-179.7165.1145.1-1.6112.2P1403 D1404 A1417 V1418 L1419 R1425P1403-R1421 PolarHBondContact O-NH2 3.26Å; D1404-R1421 IonicContact OD1-CZ 3.91Å; D1404-R1421 IonicContact OD1-NE 2.77Å; D1404-R1421 IonicContact OD1-NH2 3.27Å; D1404-R1421 PolarHBondContact OD1-NH2 2.81Å; A1417-R1421 PolarHBondContact O-N 2.96Å; A1417-R1421 VanDerWaalsContact O-N 3.14Å; V1418-R1421 WeakPolarHBondContact O-CB 3.32Å; V1418-R1421 PolarHBondContact O-N 2.85Å; V1418-R1421 VanDerWaalsContact O-N 3.15Å; L1419-R1421 PolarHBondContact O-N 3.41Å; R1421-R1425 WeakPolarHBondContact O-CG 3.37Å; R1421-R1425 PolarHBondContact O-N 3.43Å
1422I81.5Confident79.7Confident81 Ų8187.3 Ų87.342%0.41547%0.471SS..Hα-helixtrans-67.6-52.6176-67.9166.9000110.6V1418 L1419 R1420 A1424 R1425 I1426V1418-I1422 HydrophobicContact CG1-CD1 3.96Å; V1418-I1422 WeakPolarHBondContact O-CG1 3.2Å; V1418-I1422 PolarHBondContact O-N 2.82Å; L1419-I1422 PolarHBondContact O-N 2.91Å; L1419-I1422 VanDerWaalsContact O-N 3.16Å; R1420-I1422 VanDerWaalsContact C-N 3.33Å; I1422-A1424 PolarHBondContact O-N 2.81Å; I1422-R1425 WeakPolarHBondContact O-CB 3.25Å; I1422-R1425 PolarHBondContact O-N 2.98Å; I1422-I1426 HydrophobicContact CG2-CD1 3.85Å; I1422-I1426 HydrophobicContact CG2-CG1 4.46Å; I1422-I1426 WeakPolarHBondContact O-CG1 3.3Å; I1422-I1426 PolarHBondContact O-N 3.03Å
1423Y85.6Confident81.3Confident94 Ų9485.3 Ų85.337%0.36946%0.46SS..Hα-helixtrans-60.7-42.3179.8-72.3-60.4000112.7L1369 L1419 R1425 I1426 E1427L1369-Y1423 HydrophobicContact CD2-CD1 4.01Å; L1369-Y1423 HydrophobicContact CD2-CE1 4.32Å; L1419-Y1423 HydrophobicContact CB-CD2 4.48Å; L1419-Y1423 HydrophobicContact CB-CE2 4.34Å; L1419-Y1423 HydrophobicContact CD2-CE2 4.42Å; L1419-Y1423 WeakPolarHBondContact O-CD2 3.46Å; L1419-Y1423 PolarHBondContact O-N 3.05Å; Y1423-R1425 PolarHBondContact O-N 3.19Å; Y1423-I1426 HydrophobicContact CD1-CD1 4.3Å; Y1423-I1426 PolarHBondContact O-N 3.2Å; Y1423-I1426 VanDerWaalsContact O-N 3.07Å; Y1423-E1427 WeakPolarHBondContact O-CG 3.42Å; Y1423-E1427 PolarHBondContact O-N 2.87Å
1424A86.2Confident82.5Confident53 Ų5384.7 Ų84.744%0.43845%0.453SS..Hα-helixtrans-61.5-31.8175.300000113.1R1420 I1422 S1428R1420-A1424 WeakPolarHBondContact O-CB 3.3Å; R1420-A1424 PolarHBondContact O-N 2.99Å; I1422-A1424 PolarHBondContact O-N 2.81Å; A1424-S1428 WeakPolarHBondContact O-CB 3.08Å; A1424-S1428 PolarHBondContact O-N 3.41Å; A1424-S1428 VanDerWaalsContact O-N 3.13Å
1425R86.3Confident82.9Confident193 Ų19381.7 Ų81.773%0.72843%0.432SS*.Hα-helixtrans-73.6-35.6172.5-76.5177.2175.3-171.8-1.6112.5R1421 I1422 Y1423 S1428 L1429R1421-R1425 WeakPolarHBondContact O-CG 3.37Å; R1421-R1425 PolarHBondContact O-N 3.43Å; I1422-R1425 WeakPolarHBondContact O-CB 3.25Å; I1422-R1425 PolarHBondContact O-N 2.98Å; Y1423-R1425 PolarHBondContact O-N 3.19Å; R1425-S1428 PolarHBondContact O-N 2.94Å; R1425-L1429 WeakPolarHBondContact O-CB 3.35Å; R1425-L1429 PolarHBondContact O-N 3Å
1426I87.8Confident83.3Confident89 Ų8984.5 Ų84.546%0.45644%0.436SS..Hα-helixtrans-64.9-48.5174.7-66.6168.2000110.3I1422 Y1423 S1428 L1429 E1430I1422-I1426 HydrophobicContact CG2-CD1 3.85Å; I1422-I1426 HydrophobicContact CG2-CG1 4.46Å; I1422-I1426 WeakPolarHBondContact O-CG1 3.3Å; I1422-I1426 PolarHBondContact O-N 3.03Å; Y1423-I1426 HydrophobicContact CD1-CD1 4.3Å; Y1423-I1426 PolarHBondContact O-N 3.2Å; Y1423-I1426 VanDerWaalsContact O-N 3.07Å; I1426-S1428 VanDerWaalsContact C-N 3.3Å; I1426-S1428 PolarHBondContact O-N 2.87Å; I1426-L1429 WeakPolarHBondContact O-CB 3.23Å; I1426-L1429 PolarHBondContact O-N 2.97Å; I1426-L1429 VanDerWaalsContact O-N 3.1Å; I1426-E1430 WeakPolarHBondContact O-CB 3.43Å; I1426-E1430 PolarHBondContact O-N 3.01Å
1427E87.7Confident83.6Confident43 Ų4390.1 Ų90.120%0.20145%0.452CS..Hα-helixtrans-59.4-39.8175.5-66177.4142.100112.1K1367 L1369 Y1423 L1429 A1431K1367-E1427 VanDerWaalsContact CD-OE1 3.25Å; K1367-E1427 WeakPolarHBondContact CD-OE1 3.21Å; K1367-E1427 WeakPolarHBondContact CE-OE1 3.47Å; K1367-E1427 WeakPolarHBondContact CE-OE2 3.22Å; K1367-E1427 IonicContact NZ-OE1 3.46Å; K1367-E1427 PolarHBondContact NZ-OE1 3.47Å; K1367-E1427 IonicContact NZ-OE2 3.38Å; K1367-E1427 PolarHBondContact NZ-OE2 3.3Å; L1369-E1427 HydrophobicContact CD1-CG 4.29Å; L1369-E1427 VanDerWaalsContact CD1-OE1 3.24Å; L1369-E1427 WeakPolarHBondContact CD1-OE1 3.48Å; Y1423-E1427 WeakPolarHBondContact O-CG 3.42Å; Y1423-E1427 PolarHBondContact O-N 2.87Å; E1427-L1429 VanDerWaalsContact C-N 3.35Å; E1427-A1431 WeakPolarHBondContact O-CB 3.27Å; E1427-A1431 PolarHBondContact O-N 3.38Å
1428S89Confident84.2Confident75 Ų7594 Ų9452%0.52446%0.459SS..Hα-helixtrans-66-37.3175.5-175.90000112.3A1424 R1425 I1426 S1432A1424-S1428 WeakPolarHBondContact O-CB 3.08Å; A1424-S1428 PolarHBondContact O-N 3.41Å; A1424-S1428 VanDerWaalsContact O-N 3.13Å; R1425-S1428 PolarHBondContact O-N 2.94Å; I1426-S1428 VanDerWaalsContact C-N 3.3Å; I1426-S1428 PolarHBondContact O-N 2.87Å; S1428-S1432 PolarHBondContact O-N 3.26Å; S1428-S1432 VanDerWaalsContact O-N 3.09Å
1429L86.6Confident84.7Confident108 Ų10891.9 Ų91.957%0.56545%0.447SS*.Hα-helixtrans-70-44.1177-176.365.4000110.8R1425 I1426 E1427 A1431 S1432 M1433R1425-L1429 WeakPolarHBondContact O-CB 3.35Å; R1425-L1429 PolarHBondContact O-N 3Å; I1426-L1429 WeakPolarHBondContact O-CB 3.23Å; I1426-L1429 PolarHBondContact O-N 2.97Å; I1426-L1429 VanDerWaalsContact O-N 3.1Å; E1427-L1429 VanDerWaalsContact C-N 3.35Å; L1429-A1431 VanDerWaalsContact C-N 3.35Å; L1429-A1431 PolarHBondContact O-N 3.13Å; L1429-S1432 PolarHBondContact O-N 3.46Å; L1429-M1433 HydrophobicContact CG-SD 4.21Å; L1429-M1433 WeakPolarHBondContact O-CB 3.14Å; L1429-M1433 WeakPolarHBondContact O-CG 3.3Å; L1429-M1433 PolarHBondContact O-N 3.41Å
1430E87.6Confident85.2Confident59 Ų5994.7 Ų94.728%0.27646%0.459SS..Hα-helixtrans-60-42.4175.2-176.7176.5-149.400111.6V1368 I1426 M1433 N1434V1368-E1430 WeakPolarHBondContact CG2-OE1 2.96Å; I1426-E1430 WeakPolarHBondContact O-CB 3.43Å; I1426-E1430 PolarHBondContact O-N 3.01Å; E1430-M1433 PolarHBondContact O-N 2.82Å; E1430-N1434 WeakPolarHBondContact O-CB 3.39Å; E1430-N1434 PolarHBondContact O-N 2.61Å; E1430-N1434 PolarHBondContact O-ND2 2.91Å
1431A82.9Confident85.6Confident59 Ų5985.9 Ų85.949%0.48843%0.427SS..Hα-helixtrans-63.8-42.5174.300000112.6E1427 L1429 S1435E1427-A1431 WeakPolarHBondContact O-CB 3.27Å; E1427-A1431 PolarHBondContact O-N 3.38Å; L1429-A1431 VanDerWaalsContact C-N 3.35Å; L1429-A1431 PolarHBondContact O-N 3.13Å; A1431-S1435 PolarHBondContact O-N 2.92Å
1432S83.6Confident86.2Confident57 Ų5782.7 Ų82.740%0.39942%0.42SS..Hα-helixtrans-62.9-46.8173.6-82.10000111.8S1428 L1429 N1434 S1435 F1436S1428-S1432 PolarHBondContact O-N 3.26Å; S1428-S1432 VanDerWaalsContact O-N 3.09Å; L1429-S1432 PolarHBondContact O-N 3.46Å; S1432-N1434 PolarHBondContact O-N 3.2Å; S1432-S1435 PolarHBondContact O-N 3.05Å; S1432-S1435 PolarHBondContact O-OG 3.07Å; S1432-F1436 VanDerWaalsContact O-CD2 3.27Å; S1432-F1436 WeakPolarHBondContact O-CD2 3.05Å; S1432-F1436 PolarHBondContact O-N 3.14Å
1433M85Confident86.7Confident120 Ų12083.7 Ų83.759%0.59142%0.423SS*.Hα-helixtrans-60.7-46.6178.3-72.618067.100111.6L1429 E1430 S1435 F1436 E1437L1429-M1433 HydrophobicContact CG-SD 4.21Å; L1429-M1433 WeakPolarHBondContact O-CB 3.14Å; L1429-M1433 WeakPolarHBondContact O-CG 3.3Å; L1429-M1433 PolarHBondContact O-N 3.41Å; E1430-M1433 PolarHBondContact O-N 2.82Å; M1433-S1435 PolarHBondContact O-N 2.92Å; M1433-F1436 PolarHBondContact O-N 2.84Å; M1433-F1436 VanDerWaalsContact O-N 3.07Å; M1433-E1437 PolarHBondContact O-N 3.07Å
1434N84.7Confident86.7Confident52 Ų5285.8 Ų85.828%0.27844%0.436SS..Hα-helixtrans-57.5-34.3172.8-94.5-53.2000112.4E1430 S1432 E1437 R1438E1430-N1434 WeakPolarHBondContact O-CB 3.39Å; E1430-N1434 PolarHBondContact O-N 2.61Å; E1430-N1434 PolarHBondContact O-ND2 2.91Å; S1432-N1434 PolarHBondContact O-N 3.2Å; N1434-E1437 PolarHBondContact O-N 2.78Å; N1434-R1438 WeakPolarHBondContact O-CA 3.43Å; N1434-R1438 WeakPolarHBondContact O-CB 3.38Å; N1434-R1438 PolarHBondContact O-N 3.39Å
1435S83.8Confident86.9Confident20 Ų2085.4 Ų85.414%0.1443%0.427CS..Hα-helixtrans-74.3-21.1177.370.70000115.1A1431 S1432 M1433 P1439 N1445A1431-S1435 PolarHBondContact O-N 2.92Å; S1432-S1435 PolarHBondContact O-N 3.05Å; S1432-S1435 PolarHBondContact O-OG 3.07Å; M1433-S1435 PolarHBondContact O-N 2.92Å; S1435-P1439 WeakPolarHBondContact O-CA 3.44Å; S1435-N1445 VanDerWaalsContact CB-ND2 3.26Å; S1435-N1445 WeakPolarHBondContact CB-ND2 3.26Å; S1435-N1445 PolarHBondContact OG-ND2 3.25Å
1436F81.5Confident87.2Confident168 Ų16877.2 Ų77.274%0.73740%0.399SS*.Hα-helixtrans-81.2-37.6168.9-75.4-71.1000112S1432 M1433S1432-F1436 VanDerWaalsContact O-CD2 3.27Å; S1432-F1436 WeakPolarHBondContact O-CD2 3.05Å; S1432-F1436 PolarHBondContact O-N 3.14Å; M1433-F1436 PolarHBondContact O-N 2.84Å; M1433-F1436 VanDerWaalsContact O-N 3.07Å
1437E84.1Confident87.5Confident154 Ų15473 Ų7372%0.7238%0.377SS*.Hα-helixtrans-75.4-34.2177.9-171.8171.9179.400112.5M1433 N1434M1433-E1437 PolarHBondContact O-N 3.07Å; N1434-E1437 PolarHBondContact O-N 2.78Å
1438R88.1Confident87.7Confident118 Ų11873.7 Ų73.745%0.44538%0.378SS..SBendtrans-128.273.6179.9-68.3-173.6168.2-159.1-6.2111N1434 M1440 A1456N1434-R1438 WeakPolarHBondContact O-CA 3.43Å; N1434-R1438 WeakPolarHBondContact O-CB 3.38Å; N1434-R1438 PolarHBondContact O-N 3.39Å; R1438-M1440 PolarHBondContact O-N 3.3Å; R1438-A1456 HydrophobicContact CB-CB 3.89Å; R1438-A1456 HydrophobicContact CG-CB 4.11Å
1439P88.6Confident87.9Confident17 Ų1771 Ų7111%0.1136%0.357CS..  trans-66.6123-178.727.4-34.8000111.2S1435 G1441 A1447 D1452S1435-P1439 WeakPolarHBondContact O-CA 3.44Å; P1439-G1441 PolarHBondContact O-N 3.35Å; P1439-A1447 HydrophobicContact CB-CB 3.99Å; P1439-A1447 HydrophobicContact CG-CB 3.86Å; P1439-D1452 HydrophobicContact CG-CB 4.35Å
1440M87.3Confident88.3Confident129 Ų12965.9 Ų65.964%0.63533%0.33SS*.  trans-74-7.4-179.3-64.5-163.7-61.800114R1438 T1442R1438-M1440 PolarHBondContact O-N 3.3Å; M1440-T1442 HydrophobicContact CB-CG2 4.12Å; M1440-T1442 HydrophobicContact CE-CG2 4.28Å
1441G91.4Very high88.5Confident4 Ų468.9 Ų68.94%0.04134%0.339CS..  trans71.133.7-174.400000113.1P1439 N1445 W1469P1439-G1441 PolarHBondContact O-N 3.35Å; G1441-N1445 PolarHBondContact N-O 3.17Å; G1441-N1445 VanDerWaalsContact N-O 3.16Å; G1441-W1469 WeakPolarHBondContact CA-O 3.26Å; G1441-W1469 PolarHBondContact O-N 2.82Å
1442T92Very high88.9Confident44 Ų4468 Ų6827%0.2733%0.326SS..  trans-93.3166.6171.565.20000110.3M1440 Q1444 N1445 P1446 W1469M1440-T1442 HydrophobicContact CB-CG2 4.12Å; M1440-T1442 HydrophobicContact CE-CG2 4.28Å; T1442-Q1444 PolarHBondContact O-N 3.33Å; T1442-N1445 PolarHBondContact N-O 3.5Å; T1442-N1445 CarbonylContact O-C 3.46Å; T1442-N1445 PolarHBondContact O-N 3.01Å; T1442-N1445 PolarHBondContact OG1-N 3.45Å; T1442-P1446 VanDerWaalsContact O-CA 3.29Å; T1442-P1446 WeakPolarHBondContact O-CA 3.42Å; T1442-W1469 WeakPolarHBondContact O-CB 3.36Å
1443Q90.1Very high89.3Confident101 Ų10165.8 Ų65.847%0.47231%0.31SS..SBendtrans-62.8-30179.3-167.1177.912.600112.8W1469Q1443-W1469 HydrophobicContact CB-CD2 3.79Å; Q1443-W1469 HydrophobicContact CB-CE3 4.31Å; Q1443-W1469 HydrophobicContact CB-CG 4.01Å; Q1443-W1469 HydrophobicContact CB-CZ2 4.19Å; Q1443-W1469 HydrophobicContact CG-CD2 3.88Å; Q1443-W1469 HydrophobicContact CG-CE3 3.88Å; Q1443-W1469 HydrophobicContact CG-CH2 4.01Å; Q1443-W1469 HydrophobicContact CG-CZ2 4Å; Q1443-W1469 HydrophobicContact CG-CZ3 3.95Å
1444Q86.1Confident89.5Confident138 Ų13861.3 Ų61.365%0.64529%0.287SS*.SBendtrans-78.4-37.3177.1-62.376.52100112.1T1442 P1446T1442-Q1444 PolarHBondContact O-N 3.33Å; Q1444-P1446 VanDerWaalsContact C-CD 3.47Å; Q1444-P1446 WeakPolarHBondContact O-CD 3.38Å
1445N90Very high89.7Confident46 Ų4663.9 Ų63.925%0.24630%0.298CS..SBendtrans-126.872.5179.7-66.3-35.6000109.5S1435 G1441 T1442S1435-N1445 VanDerWaalsContact CB-ND2 3.26Å; S1435-N1445 WeakPolarHBondContact CB-ND2 3.26Å; S1435-N1445 PolarHBondContact OG-ND2 3.25Å; G1441-N1445 PolarHBondContact N-O 3.17Å; G1441-N1445 VanDerWaalsContact N-O 3.16Å; T1442-N1445 PolarHBondContact N-O 3.5Å; T1442-N1445 CarbonylContact O-C 3.46Å; T1442-N1445 PolarHBondContact O-N 3.01Å; T1442-N1445 PolarHBondContact OG1-N 3.45Å
1446P93.7Very high89.8Confident20 Ų2063.8 Ų63.813%0.1330%0.298CS..  trans-69.6149.1177.329.9-34.8000110.2T1442 Q1444 W1469 D1471 P1477 A1480T1442-P1446 VanDerWaalsContact O-CA 3.29Å; T1442-P1446 WeakPolarHBondContact O-CA 3.42Å; Q1444-P1446 VanDerWaalsContact C-CD 3.47Å; Q1444-P1446 WeakPolarHBondContact O-CD 3.38Å; P1446-W1469 HydrophobicContact CB-CB 4.26Å; P1446-D1471 HydrophobicContact CB-CB 3.86Å; P1446-D1471 HydrophobicContact CG-CB 3.69Å; P1446-P1477 HydrophobicContact CG-CB 3.71Å; P1446-A1480 HydrophobicContact CB-CB 3.89Å; P1446-A1480 HydrophobicContact CG-CB 3.92Å
1447A93.6Very high90Very high1 Ų157.1 Ų57.11%0.00827%0.274CS..BIsolated β-bridgetrans-90.6163.4172.400000110.7P1439 D1452 I1453 W1469 I1470 D1471P1439-A1447 HydrophobicContact CB-CB 3.99Å; P1439-A1447 HydrophobicContact CG-CB 3.86Å; A1447-D1452 HydrophobicContact CB-CB 4.2Å; A1447-I1453 HydrophobicContact CB-CD1 3.91Å; A1447-I1453 HydrophobicContact CB-CG1 3.27Å; A1447-W1469 PolarHBondContact N-O 3.07Å; A1447-I1470 CarbonylContact O-C 3.59Å; A1447-I1470 WeakPolarHBondContact O-CA 3.37Å; A1447-I1470 VanDerWaalsContact O-CB 3.25Å; A1447-I1470 WeakPolarHBondContact O-CB 3.4Å; A1447-D1471 PolarHBondContact O-N 3.26Å
1448R92.4Very high89.7Confident57 Ų5754.2 Ų54.222%0.21526%0.26CS..SBendtrans-68.4-40.7177.3-160-175-167.2160.17.8111.6L325 N326 D1452 D1471 P1472 L1474 L1560L325-R1448 PolarHBondContact O-NH2 3.19Å; N326-R1448 PolarHBondContact OD1-NH2 3.05Å; R1448-D1452 WeakPolarHBondContact CA-OD2 3.43Å; R1448-D1452 WeakPolarHBondContact CB-OD2 3.4Å; R1448-D1452 PolarHBondContact N-OD2 2.87Å; R1448-D1471 WeakPolarHBondContact CA-O 3.47Å; R1448-P1472 PolarHBondContact NE-O 3.19Å; R1448-P1472 VanDerWaalsContact O-CA 3.31Å; R1448-P1472 WeakPolarHBondContact O-CA 3.46Å; R1448-P1472 WeakPolarHBondContact O-CB 3.47Å; R1448-L1474 HydrophobicContact CB-CD2 4.11Å; R1448-L1474 HydrophobicContact CG-CD1 4.12Å; R1448-L1474 HydrophobicContact CG-CD2 4.03Å; R1448-L1474 HydrophobicContact CG-CG 4.05Å; R1448-L1560 HydrophobicContact CG-CD1 3.76Å
1449H93.7Very high89.3Confident20 Ų2054 Ų549%0.09326%0.263CS..SBendtrans-155169.3175.357.35.3000111.1R1451 D1452 L1557 H1561H1449-R1451 PolarHBondContact O-N 3.25Å; H1449-D1452 VanDerWaalsContact CE1-CG 3.43Å; H1449-D1452 IonicContact CE1-OD1 3.64Å; H1449-D1452 PolarHBondContact CE1-OD1 3.18Å; H1449-D1452 IonicContact CE1-OD2 2.75Å; H1449-D1452 PolarHBondContact CE1-OD2 3.24Å; H1449-D1452 IonicContact CG-OD2 2.79Å; H1449-D1452 PolarHBondContact N-OD2 3.38Å; H1449-D1452 PolarHBondContact ND1-N 3.36Å; H1449-D1452 IonicContact ND1-OD1 2.68Å; H1449-D1452 PolarHBondContact ND1-OD1 3.46Å; H1449-D1452 IonicContact ND1-OD2 2.7Å; H1449-D1452 PolarHBondContact ND1-OD2 3.4Å; H1449-D1452 PolarHBondContact O-N 2.78Å; H1449-L1557 HydrophobicContact CB-CD2 4.19Å; H1449-H1561 AromaticContact CD2-CE1 3.6Å; H1449-H1561 AromaticContact CD2-NE2 3.68Å
1450C94.3Very high88.6Confident0 Ų055.6 Ų55.60%027%0.273CS..Hα-helixtrans-57.2-26.6-176.7-69.60000113.9I1453 F1454 C1485 F1487 T1496C1450-I1453 PolarHBondContact O-N 3.48Å; C1450-F1454 PolarHBondContact O-N 2.91Å; C1450-F1454 VanDerWaalsContact O-N 3.14Å; C1450-C1485 VanDerWaalsContact CA-SG 3.57Å; C1450-C1485 HydrophobicContact CB-CB 3.57Å; C1450-C1485 WeakPolarHBondContact CB-SG 3.48Å; C1450-C1485 WeakPolarHBondContact SG-CA 3.1Å; C1450-C1485 WeakPolarHBondContact SG-CB 3.47Å; C1450-C1485 CovalentContact SG-SG 2.03Å; C1450-C1485 PolarHBondContact SG-SG 2.04Å; C1450-F1487 HydrophobicContact CB-CE1 4.39Å; C1450-F1487 WeakPolarHBondContact O-CE1 3.47Å; C1450-T1496 WeakPolarHBondContact CB-OG1 3.46Å; C1450-T1496 PolarHBondContact N-OG1 3.3Å
1451R91.4Very high87.9Confident121 Ų12155.6 Ų55.646%0.45727%0.271SS..Hα-helixtrans-68.2-30.9177-178.1174.1177.7140.411.8113.5H1449 F1454 E1455 A1494H1449-R1451 PolarHBondContact O-N 3.25Å; R1451-F1454 WeakPolarHBondContact O-CB 3.26Å; R1451-F1454 PolarHBondContact O-N 3.01Å; R1451-E1455 HydrophobicContact CG-CG 4.37Å; R1451-E1455 IonicContact CZ-OE1 2.84Å; R1451-E1455 VanDerWaalsContact CZ-OE1 3.25Å; R1451-E1455 IonicContact NE-OE1 3.22Å; R1451-E1455 PolarHBondContact NE-OE1 3.43Å; R1451-E1455 IonicContact NH2-OE1 3.66Å; R1451-E1455 PolarHBondContact NH2-OE1 3.26Å; R1451-E1455 WeakPolarHBondContact O-CG 3.34Å; R1451-E1455 PolarHBondContact O-N 3.29Å; R1451-A1494 HydrophobicContact CB-CB 4.04Å
1452D91.2Very high87Confident41 Ų4160 Ų6022%0.21930%0.298CS..Hα-helixtrans-71.5-38.5175.3-46-57.3000110.7P1439 A1447 R1448 H1449 F1454 E1455 A1456P1439-D1452 HydrophobicContact CG-CB 4.35Å; A1447-D1452 HydrophobicContact CB-CB 4.2Å; R1448-D1452 WeakPolarHBondContact CA-OD2 3.43Å; R1448-D1452 WeakPolarHBondContact CB-OD2 3.4Å; R1448-D1452 PolarHBondContact N-OD2 2.87Å; H1449-D1452 VanDerWaalsContact CE1-CG 3.43Å; H1449-D1452 IonicContact CE1-OD1 3.64Å; H1449-D1452 PolarHBondContact CE1-OD1 3.18Å; H1449-D1452 IonicContact CE1-OD2 2.75Å; H1449-D1452 PolarHBondContact CE1-OD2 3.24Å; H1449-D1452 IonicContact CG-OD2 2.79Å; H1449-D1452 PolarHBondContact N-OD2 3.38Å; H1449-D1452 PolarHBondContact ND1-N 3.36Å; H1449-D1452 IonicContact ND1-OD1 2.68Å; H1449-D1452 PolarHBondContact ND1-OD1 3.46Å; H1449-D1452 IonicContact ND1-OD2 2.7Å; H1449-D1452 PolarHBondContact ND1-OD2 3.4Å; H1449-D1452 PolarHBondContact O-N 2.78Å; D1452-F1454 PolarHBondContact O-N 3.35Å; D1452-E1455 PolarHBondContact O-N 2.72Å; D1452-A1456 WeakPolarHBondContact O-CB 3.07Å; D1452-A1456 PolarHBondContact O-N 3.4Å
1453I91.8Very high86.5Confident11 Ų1159 Ų596%0.05629%0.293CS..Hα-helixtrans-58.8-39.5174.7-52.8175.6000109.6A1447 C1450 A1457 Y1468 I1470A1447-I1453 HydrophobicContact CB-CD1 3.91Å; A1447-I1453 HydrophobicContact CB-CG1 3.27Å; C1450-I1453 PolarHBondContact O-N 3.48Å; I1453-A1457 WeakPolarHBondContact O-CB 3.42Å; I1453-A1457 PolarHBondContact O-N 3.33Å; I1453-Y1468 HydrophobicContact CD1-CD1 3.75Å; I1453-Y1468 HydrophobicContact CD1-CD2 4.46Å; I1453-Y1468 HydrophobicContact CD1-CG 3.67Å; I1453-Y1468 HydrophobicContact CG2-CD1 4.01Å; I1453-Y1468 HydrophobicContact CG2-CE1 3.82Å; I1453-I1470 HydrophobicContact CD1-CG2 4.42Å
1454F89.7Confident86.3Confident25 Ų2562.1 Ų62.111%0.1130%0.304CS..Hα-helixtrans-67.3-47.4176.3178.4-99.2000113C1450 R1451 D1452 A1457 P1460 F1487 G1491 A1494C1450-F1454 PolarHBondContact O-N 2.91Å; C1450-F1454 VanDerWaalsContact O-N 3.14Å; R1451-F1454 WeakPolarHBondContact O-CB 3.26Å; R1451-F1454 PolarHBondContact O-N 3.01Å; D1452-F1454 PolarHBondContact O-N 3.35Å; F1454-A1457 WeakPolarHBondContact O-CB 3.41Å; F1454-A1457 PolarHBondContact O-N 3.33Å; F1454-P1460 HydrophobicContact CD2-CB 4.15Å; F1454-P1460 HydrophobicContact CE1-CB 3.93Å; F1454-P1460 HydrophobicContact CE2-CB 3.36Å; F1454-P1460 VanDerWaalsContact CE2-O 3.24Å; F1454-P1460 WeakPolarHBondContact CE2-O 3.42Å; F1454-P1460 HydrophobicContact CZ-CB 3.23Å; F1454-P1460 HydrophobicContact CZ-CG 4.47Å; F1454-F1487 HydrophobicContact CB-CD1 4.04Å; F1454-F1487 HydrophobicContact CB-CE1 3.76Å; F1454-F1487 AromaticContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CE1 4.42Å; F1454-F1487 HydrophobicContact CD2-CG 4.37Å; F1454-F1487 HydrophobicContact CG-CD1 4.31Å; F1454-F1487 HydrophobicContact CG-CE1 4.5Å; F1454-G1491 WeakPolarHBondContact CE1-O 3.39Å; F1454-G1491 WeakPolarHBondContact CE2-O 3.12Å; F1454-G1491 WeakPolarHBondContact CZ-O 3.4Å; F1454-A1494 HydrophobicContact CB-CB 4.14Å; F1454-A1494 HydrophobicContact CG-CB 4.46Å
1455E88.1Confident86.5Confident107 Ų10758.9 Ų58.950%0.530%0.297SS..Hα-helixtrans-73.9-26-178.6-69.2179.8-178.700112.6R1451 D1452R1451-E1455 HydrophobicContact CG-CG 4.37Å; R1451-E1455 IonicContact CZ-OE1 2.84Å; R1451-E1455 VanDerWaalsContact CZ-OE1 3.25Å; R1451-E1455 IonicContact NE-OE1 3.22Å; R1451-E1455 PolarHBondContact NE-OE1 3.43Å; R1451-E1455 IonicContact NH2-OE1 3.66Å; R1451-E1455 PolarHBondContact NH2-OE1 3.26Å; R1451-E1455 WeakPolarHBondContact O-CG 3.34Å; R1451-E1455 PolarHBondContact O-N 3.29Å; D1452-E1455 PolarHBondContact O-N 2.72Å
1456A87.5Confident86.6Confident18 Ų1857.8 Ų57.815%0.14930%0.297CS..Hα-helixtrans-78-20.8172.700000113.7R1438 D1452 E1458R1438-A1456 HydrophobicContact CB-CB 3.89Å; R1438-A1456 HydrophobicContact CG-CB 4.11Å; D1452-A1456 WeakPolarHBondContact O-CB 3.07Å; D1452-A1456 PolarHBondContact O-N 3.4Å; A1456-E1458 PolarHBondContact O-N 2.93Å
1457A85Confident86.7Confident28 Ų2861.5 Ų61.523%0.23132%0.319CS..  trans-68.7126.5-179.100000111.1I1453 F1454 F1459 P1460 S1463I1453-A1457 WeakPolarHBondContact O-CB 3.42Å; I1453-A1457 PolarHBondContact O-N 3.33Å; F1454-A1457 WeakPolarHBondContact O-CB 3.41Å; F1454-A1457 PolarHBondContact O-N 3.33Å; A1457-F1459 PolarHBondContact O-N 3.22Å; A1457-F1459 VanDerWaalsContact O-N 3.16Å; A1457-P1460 VanDerWaalsContact O-CD 3.32Å; A1457-P1460 WeakPolarHBondContact O-CD 3.25Å; A1457-P1460 WeakPolarHBondContact O-CG 3.2Å; A1457-S1463 VanDerWaalsContact CB-OG 3.25Å; A1457-S1463 WeakPolarHBondContact CB-OG 3.07Å
1458E78.6Confident86.7Confident92 Ų9263.9 Ų63.943%0.4333%0.328SS..SBendtrans-63-25.9-177.2-159.4169.2135.600113.6P1362 A1456P1362-E1458 HydrophobicContact CB-CB 4.21Å; P1362-E1458 HydrophobicContact CB-CG 4.22Å; P1362-E1458 VanDerWaalsContact CB-OE1 3.26Å; P1362-E1458 WeakPolarHBondContact CB-OE1 3.37Å; P1362-E1458 WeakPolarHBondContact CB-OE2 3.39Å; A1456-E1458 PolarHBondContact O-N 2.93Å
1459F78.4Confident86.8Confident114 Ų11464.7 Ų64.750%0.533%0.332SS..SBendtrans-128.382.4173.1-59.8-66.3000109.9P1362 A1457 E1461 T1462P1362-F1459 HydrophobicContact CB-CD2 4.48Å; P1362-F1459 HydrophobicContact CB-CE2 3.9Å; P1362-F1459 HydrophobicContact CG-CE2 4.42Å; A1457-F1459 PolarHBondContact O-N 3.22Å; A1457-F1459 VanDerWaalsContact O-N 3.16Å; F1459-E1461 VanDerWaalsContact C-N 3.3Å; F1459-E1461 PolarHBondContact O-N 2.81Å; F1459-T1462 HydrophobicContact CB-CG2 4.04Å; F1459-T1462 WeakPolarHBondContact CB-OG1 3.05Å; F1459-T1462 PolarHBondContact O-N 2.85Å; F1459-T1462 PolarHBondContact O-OG1 3.09Å
1460P73.9Confident86.8Confident50 Ų5063.8 Ų63.833%0.32533%0.327SS..G310 helixtrans-59.3-37.2-170.4-22.430.8000113.2F1454 A1457 T1462 S1463F1454-P1460 HydrophobicContact CD2-CB 4.15Å; F1454-P1460 HydrophobicContact CE1-CB 3.93Å; F1454-P1460 HydrophobicContact CE2-CB 3.36Å; F1454-P1460 VanDerWaalsContact CE2-O 3.24Å; F1454-P1460 WeakPolarHBondContact CE2-O 3.42Å; F1454-P1460 HydrophobicContact CZ-CB 3.23Å; F1454-P1460 HydrophobicContact CZ-CG 4.47Å; A1457-P1460 VanDerWaalsContact O-CD 3.32Å; A1457-P1460 WeakPolarHBondContact O-CD 3.25Å; A1457-P1460 WeakPolarHBondContact O-CG 3.2Å; P1460-T1462 PolarHBondContact O-N 2.85Å; P1460-S1463 VanDerWaalsContact O-CB 3.27Å; P1460-S1463 WeakPolarHBondContact O-CB 3.28Å; P1460-S1463 PolarHBondContact O-N 2.9Å; P1460-S1463 PolarHBondContact O-OG 3.4Å
1461E72.2Confident86.7Confident129 Ų12964.1 Ų64.160%0.60333%0.329SS*.G310 helixtrans-59.7-15.6175.2-64.4-152.1-167.700114.1F1459 K1490F1459-E1461 VanDerWaalsContact C-N 3.3Å; F1459-E1461 PolarHBondContact O-N 2.81Å; E1461-K1490 HydrophobicContact CG-CB 4.21Å; E1461-K1490 IonicContact OE1-NZ 3.81Å; E1461-K1490 PolarHBondContact OE1-NZ 2.9Å; E1461-K1490 IonicContact OE2-NZ 2.61Å; E1461-K1490 PolarHBondContact OE2-NZ 2.87Å
1462T74.3Confident86.8Confident97 Ų9758.3 Ų58.360%0.59531%0.307SS*.G310 helixtrans-101.9-3.4178.1730000114.1F1459 P1460 K1464F1459-T1462 HydrophobicContact CB-CG2 4.04Å; F1459-T1462 WeakPolarHBondContact CB-OG1 3.05Å; F1459-T1462 PolarHBondContact O-N 2.85Å; F1459-T1462 PolarHBondContact O-OG1 3.09Å; P1460-T1462 PolarHBondContact O-N 2.85Å; T1462-K1464 PolarHBondContact O-N 2.9Å
1463S81Confident86.7Confident23 Ų2357.9 Ų57.916%0.16131%0.305CS..PPolyproline II helixtrans-56.4118.7177.7-67.70000110.5A1457 P1460 F1487A1457-S1463 VanDerWaalsContact CB-OG 3.25Å; A1457-S1463 WeakPolarHBondContact CB-OG 3.07Å; P1460-S1463 VanDerWaalsContact O-CB 3.27Å; P1460-S1463 WeakPolarHBondContact O-CB 3.28Å; P1460-S1463 PolarHBondContact O-N 2.9Å; P1460-S1463 PolarHBondContact O-OG 3.4Å; S1463-F1487 WeakPolarHBondContact O-CD2 3.39Å
1464K85.3Confident86.4Confident166 Ų16659 Ų5972%0.72231%0.311SS*.PPolyproline II helixtrans-86.1123.8-173.8-67-178-178.3173.80110.4T1462 G1466 Y1468 F1487T1462-K1464 PolarHBondContact O-N 2.9Å; K1464-G1466 PolarHBondContact O-N 3.12Å; K1464-Y1468 WeakPolarHBondContact O-CE2 3.28Å; K1464-Y1468 PolarHBondContact O-OH 3.34Å; K1464-Y1468 VanDerWaalsContact O-OH 3.09Å; K1464-F1487 WeakPolarHBondContact O-CE2 3.33Å
1465S91.2Very high86.2Confident70 Ų7061.1 Ų61.149%0.4934%0.34SS..PPolyproline II helixtrans-58.3135.1168.6-60.70000109.9C1485 F1487S1465-C1485 CarbonylContact C-O 3.47Å; S1465-C1485 WeakPolarHBondContact CA-O 3.32Å; S1465-C1485 WeakPolarHBondContact CB-O 3.36Å; S1465-F1487 PolarHBondContact OG-N 3.18Å
1466G91.9Very high86Confident23 Ų2359.1 Ų59.124%0.23734%0.337CS..EExtended strand (participates in β ladder)trans171.1-172.8-17100000113.6K1464 Y1468 E1484 C1485K1464-G1466 PolarHBondContact O-N 3.12Å; G1466-Y1468 WeakPolarHBondContact O-CD2 3.32Å; G1466-E1484 CarbonylContact O-C 3.56Å; G1466-E1484 WeakPolarHBondContact O-CA 3.41Å; G1466-C1485 PolarHBondContact N-O 3.13Å; G1466-C1485 PolarHBondContact O-N 2.77Å
1467T94.5Very high85.9Confident98 Ų9861 Ų6160%0.60135%0.348SS*.EExtended strand (participates in β ladder)trans-85.4125.1179.4-47.70000111T1482 V1483T1467-T1482 HydrophobicContact CG2-CG2 4.08Å; T1467-V1483 CarbonylContact C-O 3.49Å; T1467-V1483 VanDerWaalsContact CA-O 3.3Å; T1467-V1483 WeakPolarHBondContact CA-O 3.4Å
1468Y94.9Very high85.9Confident51 Ų5165.2 Ų65.220%0.237%0.371CS..EExtended strand (participates in β ladder)trans-130.8160.5177.1-69-92.1000110.7I1453 K1464 G1466 T1482 V1483 C1485 F1487I1453-Y1468 HydrophobicContact CD1-CD1 3.75Å; I1453-Y1468 HydrophobicContact CD1-CD2 4.46Å; I1453-Y1468 HydrophobicContact CD1-CG 3.67Å; I1453-Y1468 HydrophobicContact CG2-CD1 4.01Å; I1453-Y1468 HydrophobicContact CG2-CE1 3.82Å; K1464-Y1468 WeakPolarHBondContact O-CE2 3.28Å; K1464-Y1468 PolarHBondContact O-OH 3.34Å; K1464-Y1468 VanDerWaalsContact O-OH 3.09Å; G1466-Y1468 WeakPolarHBondContact O-CD2 3.32Å; Y1468-T1482 CarbonylContact O-C 3.53Å; Y1468-T1482 VanDerWaalsContact O-CA 3.28Å; Y1468-T1482 WeakPolarHBondContact O-CA 3.11Å; Y1468-V1483 PolarHBondContact N-O 2.77Å; Y1468-V1483 PolarHBondContact O-N 2.94Å; Y1468-C1485 HydrophobicContact CD2-CB 3.7Å; Y1468-C1485 VanDerWaalsContact CD2-SG 3.6Å; Y1468-C1485 HydrophobicContact CE2-CB 4.14Å; Y1468-F1487 HydrophobicContact CE2-CE2 4.07Å; Y1468-F1487 HydrophobicContact CE2-CZ 4.44Å
1469W94.2Very high86.3Confident75 Ų7562.2 Ų62.228%0.28436%0.358SS..EExtended strand (participates in β ladder)trans-93.4133.6171.8-68.981.5000110.8G1441 T1442 Q1443 P1446 A1447 A1480 F1481 T1482G1441-W1469 WeakPolarHBondContact CA-O 3.26Å; G1441-W1469 PolarHBondContact O-N 2.82Å; T1442-W1469 WeakPolarHBondContact O-CB 3.36Å; Q1443-W1469 HydrophobicContact CB-CD2 3.79Å; Q1443-W1469 HydrophobicContact CB-CE3 4.31Å; Q1443-W1469 HydrophobicContact CB-CG 4.01Å; Q1443-W1469 HydrophobicContact CB-CZ2 4.19Å; Q1443-W1469 HydrophobicContact CG-CD2 3.88Å; Q1443-W1469 HydrophobicContact CG-CE3 3.88Å; Q1443-W1469 HydrophobicContact CG-CH2 4.01Å; Q1443-W1469 HydrophobicContact CG-CZ2 4Å; Q1443-W1469 HydrophobicContact CG-CZ3 3.95Å; P1446-W1469 HydrophobicContact CB-CB 4.26Å; A1447-W1469 PolarHBondContact N-O 3.07Å; W1469-A1480 HydrophobicContact CE3-CB 4.36Å; W1469-A1480 VanDerWaalsContact CZ3-O 3.3Å; W1469-A1480 WeakPolarHBondContact CZ3-O 3.36Å; W1469-F1481 WeakPolarHBondContact CA-O 3.48Å; W1469-T1482 HydrophobicContact CD2-CG2 3.66Å; W1469-T1482 HydrophobicContact CE3-CG2 4.1Å; W1469-T1482 HydrophobicContact CG-CG2 4.14Å; W1469-T1482 HydrophobicContact CH2-CG2 4.11Å; W1469-T1482 HydrophobicContact CZ2-CG2 3.65Å; W1469-T1482 HydrophobicContact CZ3-CG2 4.31Å
1470I93.5Very high86.8Confident0 Ų057 Ų570%034%0.336CS..EExtended strand (participates in β ladder)trans-130.6153.6174.765.1162000112.8A1447 I1453 A1480 F1481 V1483 T1496 L1557A1447-I1470 CarbonylContact O-C 3.59Å; A1447-I1470 WeakPolarHBondContact O-CA 3.37Å; A1447-I1470 VanDerWaalsContact O-CB 3.25Å; A1447-I1470 WeakPolarHBondContact O-CB 3.4Å; I1453-I1470 HydrophobicContact CD1-CG2 4.42Å; I1470-A1480 CarbonylContact O-C 3.55Å; I1470-A1480 WeakPolarHBondContact O-CA 3.12Å; I1470-A1480 WeakPolarHBondContact O-CB 3.48Å; I1470-F1481 HydrophobicContact CD1-CE1 4.23Å; I1470-F1481 HydrophobicContact CD1-CE2 4.29Å; I1470-F1481 HydrophobicContact CD1-CZ 3.83Å; I1470-F1481 HydrophobicContact CG1-CD1 4.45Å; I1470-F1481 HydrophobicContact CG1-CE1 4.08Å; I1470-F1481 HydrophobicContact CG1-CE2 4.38Å; I1470-F1481 HydrophobicContact CG1-CZ 4.06Å; I1470-F1481 PolarHBondContact N-O 2.87Å; I1470-F1481 PolarHBondContact O-N 2.84Å; I1470-V1483 HydrophobicContact CB-CG2 4.33Å; I1470-V1483 HydrophobicContact CD1-CB 4.34Å; I1470-V1483 HydrophobicContact CD1-CG1 3.58Å; I1470-V1483 HydrophobicContact CD1-CG2 3.86Å; I1470-V1483 HydrophobicContact CG1-CB 4.43Å; I1470-V1483 HydrophobicContact CG1-CG1 3.81Å; I1470-V1483 HydrophobicContact CG1-CG2 3.75Å; I1470-V1483 HydrophobicContact CG2-CG2 3.7Å; I1470-T1496 HydrophobicContact CD1-CG2 3.7Å; I1470-L1557 HydrophobicContact CD1-CD1 4.07Å; I1470-L1557 HydrophobicContact CD1-CD2 3.96Å; I1470-L1557 HydrophobicContact CD1-CG 4.44Å
1471D93.2Very high87.5Confident7 Ų755.5 Ų55.54%0.03732%0.324CS..  trans-135.881.1-179.8-179.1-1.9000109.1P1446 A1447 R1448 N1473 L1474 A1480P1446-D1471 HydrophobicContact CB-CB 3.86Å; P1446-D1471 HydrophobicContact CG-CB 3.69Å; A1447-D1471 PolarHBondContact O-N 3.26Å; R1448-D1471 WeakPolarHBondContact CA-O 3.47Å; D1471-N1473 PolarHBondContact OD1-OD1 3.34Å; D1471-L1474 VanDerWaalsContact CG-CA 3.46Å; D1471-L1474 WeakPolarHBondContact O-CD2 3.39Å; D1471-L1474 PolarHBondContact O-N 2.7Å; D1471-L1474 WeakPolarHBondContact OD1-CA 3.4Å; D1471-L1474 PolarHBondContact OD1-N 2.9Å; D1471-L1474 WeakPolarHBondContact OD2-CA 3.21Å; D1471-A1480 HydrophobicContact CB-CB 4Å
1472P92.5Very high88.4Confident0 Ų052.7 Ų52.70%032%0.316CS..SBendtrans-74.5-26-172.326.1-34.2000115.1R1448 F1481 L1553 L1557 L1560R1448-P1472 PolarHBondContact NE-O 3.19Å; R1448-P1472 VanDerWaalsContact O-CA 3.31Å; R1448-P1472 WeakPolarHBondContact O-CA 3.46Å; R1448-P1472 WeakPolarHBondContact O-CB 3.47Å; P1472-F1481 HydrophobicContact CG-CE1 3.83Å; P1472-F1481 HydrophobicContact CG-CZ 4.31Å; P1472-L1553 HydrophobicContact CG-CB 4.32Å; P1472-L1553 HydrophobicContact CG-CD2 3.76Å; P1472-L1553 WeakPolarHBondContact CG-O 3.44Å; P1472-L1557 HydrophobicContact CB-CD2 4.09Å; P1472-L1557 HydrophobicContact CB-CG 3.96Å; P1472-L1557 HydrophobicContact CG-CD2 4.48Å; P1472-L1557 HydrophobicContact CG-CG 4Å; P1472-L1560 HydrophobicContact CB-CD1 4.1Å
1473N88.7Confident89.3Confident31 Ų3148.2 Ų48.217%0.16629%0.289CS..SBendtrans-77-24.8168.353.7-36.7000112.2D1471 D1479 L1553 Y1556D1471-N1473 PolarHBondContact OD1-OD1 3.34Å; N1473-D1479 PolarHBondContact ND2-OD2 2.89Å; N1473-L1553 WeakPolarHBondContact OD1-CD2 3.44Å; N1473-Y1556 HydrophobicContact CB-CD1 4.33Å; N1473-Y1556 HydrophobicContact CB-CD2 3.5Å; N1473-Y1556 HydrophobicContact CB-CE1 4.32Å; N1473-Y1556 HydrophobicContact CB-CE2 3.49Å; N1473-Y1556 VanDerWaalsContact CB-CE2 3.49Å; N1473-Y1556 HydrophobicContact CB-CG 3.95Å
1474L86.6Confident89.9Confident35 Ų3549.2 Ų49.218%0.18329%0.291CS..  trans63.5-175.8-171.9-53.9157.5000110.2L325 R1448 D1471L325-L1474 HydrophobicContact CB-CD1 3.63Å; L325-L1474 HydrophobicContact CD1-CB 4.04Å; L325-L1474 HydrophobicContact CD1-CD1 3.95Å; L325-L1474 HydrophobicContact CD1-CG 4.48Å; L325-L1474 HydrophobicContact CD2-CD1 4.32Å; L325-L1474 HydrophobicContact CG-CD1 4.16Å; R1448-L1474 HydrophobicContact CB-CD2 4.11Å; R1448-L1474 HydrophobicContact CG-CD1 4.12Å; R1448-L1474 HydrophobicContact CG-CD2 4.03Å; R1448-L1474 HydrophobicContact CG-CG 4.05Å; D1471-L1474 VanDerWaalsContact CG-CA 3.46Å; D1471-L1474 WeakPolarHBondContact O-CD2 3.39Å; D1471-L1474 PolarHBondContact O-N 2.7Å; D1471-L1474 WeakPolarHBondContact OD1-CA 3.4Å; D1471-L1474 PolarHBondContact OD1-N 2.9Å; D1471-L1474 WeakPolarHBondContact OD2-CA 3.21Å
1475G84.9Confident90.3Very high70 Ų7041.3 Ų41.372%0.72226%0.256SS*.SBendtrans101.1-102.7179.500000111P1477G1475-P1477 WeakPolarHBondContact O-CD 2.87Å
1476S84.1Confident90.5Very high64 Ų6441.2 Ų41.245%0.44825%0.245SC..  trans-97.8109.9-175.7-173.60000110.7T1478 D1479S1476-T1478 PolarHBondContact O-N 3.44Å; S1476-T1478 PolarHBondContact O-OG1 3.34Å; S1476-T1478 PolarHBondContact OG-OG1 3.08Å; S1476-D1479 PolarHBondContact O-N 2.79Å
1477P84.7Confident90.4Very high57 Ų5741.2 Ų41.237%0.3724%0.239SC..THydrogen-bonded Turntrans-64.75-176.428.3-37.1000114.6P1446 G1475 A1480P1446-P1477 HydrophobicContact CG-CB 3.71Å; G1475-P1477 WeakPolarHBondContact O-CD 2.87Å; P1477-A1480 VanDerWaalsContact O-CB 3.26Å; P1477-A1480 WeakPolarHBondContact O-CB 3.4Å
1478T85.2Confident89.9Confident118 Ų11840.6 Ų40.672%0.72423%0.229SC*.THydrogen-bonded Turntrans-71.1-25.3173.453.70000114.5S1476S1476-T1478 PolarHBondContact O-N 3.44Å; S1476-T1478 PolarHBondContact O-OG1 3.34Å; S1476-T1478 PolarHBondContact OG-OG1 3.08Å
1479D86.2Confident89.2Confident29 Ų2943.5 Ų43.516%0.15525%0.248CC..SBendtrans-102.55.2173.872.1-22.6000113.3N1473 S1476 Y1550 L1553N1473-D1479 PolarHBondContact ND2-OD2 2.89Å; S1476-D1479 PolarHBondContact O-N 2.79Å; D1479-Y1550 WeakPolarHBondContact O-CE1 3.46Å; D1479-L1553 HydrophobicContact CB-CD1 4.35Å; D1479-L1553 WeakPolarHBondContact O-CD1 3.33Å
1480A89.5Confident87.9Confident3 Ų346.9 Ų46.93%0.02527%0.265CS..  trans-54.7146.6166.900000111.2P1446 W1469 I1470 D1471 P1477P1446-A1480 HydrophobicContact CB-CB 3.89Å; P1446-A1480 HydrophobicContact CG-CB 3.92Å; W1469-A1480 HydrophobicContact CE3-CB 4.36Å; W1469-A1480 VanDerWaalsContact CZ3-O 3.3Å; W1469-A1480 WeakPolarHBondContact CZ3-O 3.36Å; I1470-A1480 CarbonylContact O-C 3.55Å; I1470-A1480 WeakPolarHBondContact O-CA 3.12Å; I1470-A1480 WeakPolarHBondContact O-CB 3.48Å; D1471-A1480 HydrophobicContact CB-CB 4Å; P1477-A1480 VanDerWaalsContact O-CB 3.26Å; P1477-A1480 WeakPolarHBondContact O-CB 3.4Å
1481F88.8Confident86.6Confident19 Ų1947 Ų478%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-136.9163.3-176.963.2-73.3000113.5W1469 I1470 P1472 V1483 I1498 Y1550 L1553 L1557W1469-F1481 WeakPolarHBondContact CA-O 3.48Å; I1470-F1481 HydrophobicContact CD1-CE1 4.23Å; I1470-F1481 HydrophobicContact CD1-CE2 4.29Å; I1470-F1481 HydrophobicContact CD1-CZ 3.83Å; I1470-F1481 HydrophobicContact CG1-CD1 4.45Å; I1470-F1481 HydrophobicContact CG1-CE1 4.08Å; I1470-F1481 HydrophobicContact CG1-CE2 4.38Å; I1470-F1481 HydrophobicContact CG1-CZ 4.06Å; I1470-F1481 PolarHBondContact N-O 2.87Å; I1470-F1481 PolarHBondContact O-N 2.84Å; P1472-F1481 HydrophobicContact CG-CE1 3.83Å; P1472-F1481 HydrophobicContact CG-CZ 4.31Å; F1481-V1483 HydrophobicContact CD2-CG1 3.88Å; F1481-V1483 HydrophobicContact CE2-CG1 3.44Å; F1481-V1483 VanDerWaalsContact CE2-CG1 3.44Å; F1481-V1483 HydrophobicContact CZ-CG1 4.22Å; F1481-I1498 HydrophobicContact CE2-CD1 4.18Å; F1481-I1498 HydrophobicContact CE2-CG1 4.44Å; F1481-I1498 HydrophobicContact CE2-CG2 4.05Å; F1481-I1498 HydrophobicContact CZ-CD1 4.48Å; F1481-Y1550 HydrophobicContact CB-CD1 4.16Å; F1481-Y1550 HydrophobicContact CB-CE1 3.56Å; F1481-Y1550 AromaticContact CD1-CD1 3.92Å; F1481-Y1550 HydrophobicContact CD1-CD1 3.92Å; F1481-Y1550 AromaticContact CD1-CE1 3.88Å; F1481-Y1550 HydrophobicContact CD1-CE1 3.88Å; F1481-Y1550 AromaticContact CG-CD1 3.99Å; F1481-Y1550 HydrophobicContact CG-CD1 3.99Å; F1481-Y1550 AromaticContact CG-CE1 3.86Å; F1481-Y1550 HydrophobicContact CG-CE1 3.86Å; F1481-L1553 HydrophobicContact CD1-CB 4.43Å; F1481-L1553 HydrophobicContact CD1-CD1 4.34Å; F1481-L1553 HydrophobicContact CD1-CD2 4.06Å; F1481-L1553 HydrophobicContact CE1-CB 3.82Å; F1481-L1553 HydrophobicContact CE1-CD2 3.81Å; F1481-L1553 HydrophobicContact CE1-CG 4.28Å; F1481-L1553 HydrophobicContact CZ-CB 4.46Å; F1481-L1557 HydrophobicContact CZ-CD1 3.86Å
1482T91.3Very high85.8Confident70 Ų7053.3 Ų53.343%0.42930%0.3SS..EExtended strand (participates in β ladder)trans-83.6133.317950.40000112.3T1467 Y1468 W1469T1467-T1482 HydrophobicContact CG2-CG2 4.08Å; Y1468-T1482 CarbonylContact O-C 3.53Å; Y1468-T1482 VanDerWaalsContact O-CA 3.28Å; Y1468-T1482 WeakPolarHBondContact O-CA 3.11Å; W1469-T1482 HydrophobicContact CD2-CG2 3.66Å; W1469-T1482 HydrophobicContact CE3-CG2 4.1Å; W1469-T1482 HydrophobicContact CG-CG2 4.14Å; W1469-T1482 HydrophobicContact CH2-CG2 4.11Å; W1469-T1482 HydrophobicContact CZ2-CG2 3.65Å; W1469-T1482 HydrophobicContact CZ3-CG2 4.31Å
1483V92.8Very high85.3Confident4 Ų455.7 Ų55.72%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-128.2158.1172.4-68.70000110T1467 Y1468 I1470 F1481 T1496 I1498T1467-V1483 CarbonylContact C-O 3.49Å; T1467-V1483 VanDerWaalsContact CA-O 3.3Å; T1467-V1483 WeakPolarHBondContact CA-O 3.4Å; Y1468-V1483 PolarHBondContact N-O 2.77Å; Y1468-V1483 PolarHBondContact O-N 2.94Å; I1470-V1483 HydrophobicContact CB-CG2 4.33Å; I1470-V1483 HydrophobicContact CD1-CB 4.34Å; I1470-V1483 HydrophobicContact CD1-CG1 3.58Å; I1470-V1483 HydrophobicContact CD1-CG2 3.86Å; I1470-V1483 HydrophobicContact CG1-CB 4.43Å; I1470-V1483 HydrophobicContact CG1-CG1 3.81Å; I1470-V1483 HydrophobicContact CG1-CG2 3.75Å; I1470-V1483 HydrophobicContact CG2-CG2 3.7Å; F1481-V1483 HydrophobicContact CD2-CG1 3.88Å; F1481-V1483 HydrophobicContact CE2-CG1 3.44Å; F1481-V1483 VanDerWaalsContact CE2-CG1 3.44Å; F1481-V1483 HydrophobicContact CZ-CG1 4.22Å; V1483-T1496 HydrophobicContact CB-CG2 4.3Å; V1483-T1496 HydrophobicContact CG1-CG2 4.14Å; V1483-T1496 HydrophobicContact CG2-CG2 4.21Å; V1483-I1498 HydrophobicContact CG1-CG1 4.23Å
1484E93.8Very high85.4Confident43 Ų4354.7 Ų54.720%0.20131%0.31CS..EExtended strand (participates in β ladder)trans-90.9110.7166.7-178.6169.5-101.700108.7G1466 R1486 C1497 K1499G1466-E1484 CarbonylContact O-C 3.56Å; G1466-E1484 WeakPolarHBondContact O-CA 3.41Å; E1484-R1486 HydrophobicContact CG-CG 4.36Å; E1484-R1486 IonicContact OE2-CZ 2.7Å; E1484-R1486 IonicContact OE2-NE 2.77Å; E1484-R1486 PolarHBondContact OE2-NE 3.2Å; E1484-R1486 IonicContact OE2-NH2 3.14Å; E1484-R1486 PolarHBondContact OE2-NH2 2.76Å; E1484-C1497 HydrophobicContact CB-CB 4.29Å; E1484-C1497 PolarHBondContact N-O 3.06Å; E1484-C1497 WeakPolarHBondContact O-CA 3.49Å; E1484-C1497 VanDerWaalsContact O-CB 3.23Å; E1484-C1497 WeakPolarHBondContact O-CB 3.46Å; E1484-C1497 PolarHBondContact O-N 2.98Å; E1484-K1499 VanDerWaalsContact OE1-CE 3.29Å; E1484-K1499 WeakPolarHBondContact OE1-CE 3.33Å; E1484-K1499 IonicContact OE1-NZ 2.9Å; E1484-K1499 PolarHBondContact OE1-NZ 2.87Å; E1484-K1499 WeakPolarHBondContact OE2-CE 3.44Å; E1484-K1499 IonicContact OE2-NZ 2.7Å
1485C94.6Very high85.8Confident0 Ų053.8 Ų53.80%031%0.305CS..EExtended strand (participates in β ladder)trans-82.7124.9171.2-60.50000109.4C1450 S1465 G1466 Y1468 F1487 E1495C1450-C1485 VanDerWaalsContact CA-SG 3.57Å; C1450-C1485 HydrophobicContact CB-CB 3.57Å; C1450-C1485 WeakPolarHBondContact CB-SG 3.48Å; C1450-C1485 WeakPolarHBondContact SG-CA 3.1Å; C1450-C1485 WeakPolarHBondContact SG-CB 3.47Å; C1450-C1485 CovalentContact SG-SG 2.03Å; C1450-C1485 PolarHBondContact SG-SG 2.04Å; S1465-C1485 CarbonylContact C-O 3.47Å; S1465-C1485 WeakPolarHBondContact CA-O 3.32Å; S1465-C1485 WeakPolarHBondContact CB-O 3.36Å; G1466-C1485 PolarHBondContact N-O 3.13Å; G1466-C1485 PolarHBondContact O-N 2.77Å; Y1468-C1485 HydrophobicContact CD2-CB 3.7Å; Y1468-C1485 VanDerWaalsContact CD2-SG 3.6Å; Y1468-C1485 HydrophobicContact CE2-CB 4.14Å; C1485-F1487 HydrophobicContact CB-CE1 4.01Å; C1485-F1487 HydrophobicContact CB-CE2 4.01Å; C1485-F1487 HydrophobicContact CB-CZ 3.54Å; C1485-E1495 WeakPolarHBondContact CA-O 3.39Å
1486R93.7Very high86.3Confident69 Ų6950.5 Ų50.526%0.2627%0.271SS..EExtended strand (participates in β ladder)trans-110.1116.3171.7-61179.5-172.4168.43.8109.5E1484 A1494 E1495E1484-R1486 HydrophobicContact CG-CG 4.36Å; E1484-R1486 IonicContact OE2-CZ 2.7Å; E1484-R1486 IonicContact OE2-NE 2.77Å; E1484-R1486 PolarHBondContact OE2-NE 3.2Å; E1484-R1486 IonicContact OE2-NH2 3.14Å; E1484-R1486 PolarHBondContact OE2-NH2 2.76Å; R1486-A1494 WeakPolarHBondContact O-CA 3.47Å; R1486-E1495 HydrophobicContact CB-CB 4.25Å; R1486-E1495 PolarHBondContact N-O 3.27Å; R1486-E1495 PolarHBondContact O-N 2.94Å
1487F91.1Very high86.7Confident22 Ų2247.4 Ų47.410%0.09625%0.249CC..EExtended strand (participates in β ladder)trans-99.7106.9175.2-51.9-57.8000108.4C1450 F1454 S1463 K1464 S1465 Y1468 C1485 V1493 A1494C1450-F1487 HydrophobicContact CB-CE1 4.39Å; C1450-F1487 WeakPolarHBondContact O-CE1 3.47Å; F1454-F1487 HydrophobicContact CB-CD1 4.04Å; F1454-F1487 HydrophobicContact CB-CE1 3.76Å; F1454-F1487 AromaticContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CD1 3.97Å; F1454-F1487 HydrophobicContact CD2-CE1 4.42Å; F1454-F1487 HydrophobicContact CD2-CG 4.37Å; F1454-F1487 HydrophobicContact CG-CD1 4.31Å; F1454-F1487 HydrophobicContact CG-CE1 4.5Å; S1463-F1487 WeakPolarHBondContact O-CD2 3.39Å; K1464-F1487 WeakPolarHBondContact O-CE2 3.33Å; S1465-F1487 PolarHBondContact OG-N 3.18Å; Y1468-F1487 HydrophobicContact CE2-CE2 4.07Å; Y1468-F1487 HydrophobicContact CE2-CZ 4.44Å; C1485-F1487 HydrophobicContact CB-CE1 4.01Å; C1485-F1487 HydrophobicContact CB-CE2 4.01Å; C1485-F1487 HydrophobicContact CB-CZ 3.54Å; F1487-V1493 WeakPolarHBondContact CA-O 3.34Å; F1487-A1494 HydrophobicContact CD1-CB 3.78Å; F1487-A1494 HydrophobicContact CE1-CB 3.96Å
1488Q84.2Confident87.1Confident85 Ų8544.8 Ų44.840%0.39723%0.232SC..EExtended strand (participates in β ladder)trans-107164.3-179.5-54.6-166.329.500111.4K1490 G1491 N1492 V1493 E1495Q1488-K1490 PolarHBondContact O-N 2.85Å; Q1488-G1491 CarbonylContact O-C 3.58Å; Q1488-G1491 WeakPolarHBondContact O-CA 3.33Å; Q1488-G1491 PolarHBondContact O-N 2.83Å; Q1488-N1492 PolarHBondContact O-N 2.84Å; Q1488-V1493 HydrophobicContact CB-CB 4.33Å; Q1488-V1493 PolarHBondContact N-O 3.29Å; Q1488-V1493 PolarHBondContact O-N 2.95Å; Q1488-E1495 PolarHBondContact NE2-OE1 3.44Å; Q1488-E1495 VanDerWaalsContact NE2-OE1 3.15Å; Q1488-E1495 PolarHBondContact NE2-OE2 3.39Å
1489N79.6Confident87.1Confident112 Ų11243.5 Ų43.560%0.59922%0.216SC*.G310 helixtrans52.252176.2-63-34.3000113.9G1491 N1492N1489-G1491 PolarHBondContact O-N 2.75Å; N1489-G1491 VanDerWaalsContact O-N 3.12Å; N1489-N1492 HydrophobicContact CB-CB 4.37Å; N1489-N1492 PolarHBondContact O-N 2.86Å
1490K68.2Low86.8Confident147 Ų14742.4 Ų42.464%0.63921%0.211SC*.G310 helixtrans55.822-173-64.7169.9149.8-117.10113.9E1461 Q1488E1461-K1490 HydrophobicContact CG-CB 4.21Å; E1461-K1490 IonicContact OE1-NZ 3.81Å; E1461-K1490 PolarHBondContact OE1-NZ 2.9Å; E1461-K1490 IonicContact OE2-NZ 2.61Å; E1461-K1490 PolarHBondContact OE2-NZ 2.87Å; Q1488-K1490 PolarHBondContact O-N 2.85Å
1491G65.3Low86.3Confident2 Ų243.7 Ų43.72%0.02122%0.22CC..G310 helixtrans104.4-12.317800000116.1F1454 Q1488 N1489 V1493F1454-G1491 WeakPolarHBondContact CE1-O 3.39Å; F1454-G1491 WeakPolarHBondContact CE2-O 3.12Å; F1454-G1491 WeakPolarHBondContact CZ-O 3.4Å; Q1488-G1491 CarbonylContact O-C 3.58Å; Q1488-G1491 WeakPolarHBondContact O-CA 3.33Å; Q1488-G1491 PolarHBondContact O-N 2.83Å; N1489-G1491 PolarHBondContact O-N 2.75Å; N1489-G1491 VanDerWaalsContact O-N 3.12Å; G1491-V1493 PolarHBondContact O-N 3.35Å
1492N75.5Confident85.8Confident140 Ų14048.8 Ų48.875%0.74924%0.244SC*.THydrogen-bonded Turntrans-59.6-14.8179.9-73.8-24.6000114.3Q1488 N1489Q1488-N1492 PolarHBondContact O-N 2.84Å; N1489-N1492 HydrophobicContact CB-CB 4.37Å; N1489-N1492 PolarHBondContact O-N 2.86Å
1493V82.6Confident84.8Confident49 Ų4952 Ų5230%0.29726%0.259SS..EExtended strand (participates in β ladder)trans-127.1117.8171.1-174.90000108.2F1487 Q1488 G1491 E1495F1487-V1493 WeakPolarHBondContact CA-O 3.34Å; Q1488-V1493 HydrophobicContact CB-CB 4.33Å; Q1488-V1493 PolarHBondContact N-O 3.29Å; Q1488-V1493 PolarHBondContact O-N 2.95Å; G1491-V1493 PolarHBondContact O-N 3.35Å; V1493-E1495 HydrophobicContact CG1-CG 3.98Å
1494A91Very high83.9Confident11 Ų1152.2 Ų52.29%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-112106.3174.300000108.8R1451 F1454 R1486 F1487R1451-A1494 HydrophobicContact CB-CB 4.04Å; F1454-A1494 HydrophobicContact CB-CB 4.14Å; F1454-A1494 HydrophobicContact CG-CB 4.46Å; R1486-A1494 WeakPolarHBondContact O-CA 3.47Å; F1487-A1494 HydrophobicContact CD1-CB 3.78Å; F1487-A1494 HydrophobicContact CE1-CB 3.96Å
1495E94.3Very high83.3Confident16 Ų1652.1 Ų52.18%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-93.9131.5-179.6-54.7172.3144.600110C1485 R1486 Q1488 V1493 C1672 F1673C1485-E1495 WeakPolarHBondContact CA-O 3.39Å; R1486-E1495 HydrophobicContact CB-CB 4.25Å; R1486-E1495 PolarHBondContact N-O 3.27Å; R1486-E1495 PolarHBondContact O-N 2.94Å; Q1488-E1495 PolarHBondContact NE2-OE1 3.44Å; Q1488-E1495 VanDerWaalsContact NE2-OE1 3.15Å; Q1488-E1495 PolarHBondContact NE2-OE2 3.39Å; V1493-E1495 HydrophobicContact CG1-CG 3.98Å; E1495-C1672 HydrophobicContact CB-CB 4.39Å; E1495-F1673 WeakPolarHBondContact CA-O 3.3Å
1496T95.5Very high82.9Confident0 Ų055.4 Ų55.40%028%0.279CS..EExtended strand (participates in β ladder)trans-93.897.9172.8-57.20000109C1450 I1470 V1483 L1557 H1561 F1673C1450-T1496 WeakPolarHBondContact CB-OG1 3.46Å; C1450-T1496 PolarHBondContact N-OG1 3.3Å; I1470-T1496 HydrophobicContact CD1-CG2 3.7Å; V1483-T1496 HydrophobicContact CB-CG2 4.3Å; V1483-T1496 HydrophobicContact CG1-CG2 4.14Å; V1483-T1496 HydrophobicContact CG2-CG2 4.21Å; T1496-L1557 HydrophobicContact CG2-CD1 4.16Å; T1496-L1557 HydrophobicContact CG2-CD2 3.76Å; T1496-H1561 PolarHBondContact OG1-NE2 3.38Å; T1496-F1673 PolarHBondContact N-O 3.49Å; T1496-F1673 PolarHBondContact O-N 3.13Å
1497C94.2Very high82.5Confident0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-100.9121.5-175.5-58.30000113.1E1484 A1670 V1671 C1672E1484-C1497 HydrophobicContact CB-CB 4.29Å; E1484-C1497 PolarHBondContact N-O 3.06Å; E1484-C1497 WeakPolarHBondContact O-CA 3.49Å; E1484-C1497 VanDerWaalsContact O-CB 3.23Å; E1484-C1497 WeakPolarHBondContact O-CB 3.46Å; E1484-C1497 PolarHBondContact O-N 2.98Å; C1497-A1670 HydrophobicContact CB-CB 3.99Å; C1497-V1671 CarbonylContact C-O 3.57Å; C1497-V1671 VanDerWaalsContact CA-O 3.29Å; C1497-V1671 WeakPolarHBondContact CA-O 3.37Å; C1497-C1672 HydrophobicContact CB-CB 4.14Å; C1497-C1672 WeakPolarHBondContact CB-SG 3.43Å; C1497-C1672 WeakPolarHBondContact SG-CB 3.46Å; C1497-C1672 CovalentContact SG-SG 2.04Å; C1497-C1672 PolarHBondContact SG-SG 2.88Å
1498I91.2Very high82.3Confident2 Ų255.3 Ų55.31%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-103.2118.8176.3-29.3178000109.9F1481 V1483 F1544 I1554 L1557 A1670 V1671 F1673F1481-I1498 HydrophobicContact CE2-CD1 4.18Å; F1481-I1498 HydrophobicContact CE2-CG1 4.44Å; F1481-I1498 HydrophobicContact CE2-CG2 4.05Å; F1481-I1498 HydrophobicContact CZ-CD1 4.48Å; V1483-I1498 HydrophobicContact CG1-CG1 4.23Å; I1498-F1544 HydrophobicContact CB-CZ 4.3Å; I1498-F1544 HydrophobicContact CG2-CE1 3.67Å; I1498-F1544 HydrophobicContact CG2-CE2 4.31Å; I1498-F1544 HydrophobicContact CG2-CZ 3.34Å; I1498-I1554 HydrophobicContact CD1-CG1 4Å; I1498-L1557 HydrophobicContact CD1-CD1 3.6Å; I1498-L1557 HydrophobicContact CG1-CD1 4.24Å; I1498-A1670 CarbonylContact O-C 3.55Å; I1498-A1670 WeakPolarHBondContact O-CA 3.25Å; I1498-A1670 WeakPolarHBondContact O-CB 3.34Å; I1498-V1671 HydrophobicContact CB-CG1 4.01Å; I1498-V1671 HydrophobicContact CD1-CG1 4.37Å; I1498-V1671 HydrophobicContact CG1-CG1 4.19Å; I1498-V1671 PolarHBondContact N-O 3Å; I1498-V1671 PolarHBondContact O-N 3.33Å; I1498-F1673 HydrophobicContact CD1-CD2 4.41Å; I1498-F1673 HydrophobicContact CD1-CE2 3.77Å; I1498-F1673 HydrophobicContact CG1-CD2 4.43Å; I1498-F1673 HydrophobicContact CG1-CE2 4.11Å
1499K86.1Confident82.6Confident90 Ų9053.6 Ų53.639%0.39128%0.282SS..PPolyproline II helixtrans-80.2141.3-178.5-72.1174.1179.6171.60111.7E1484 F1544 A1670E1484-K1499 VanDerWaalsContact OE1-CE 3.29Å; E1484-K1499 WeakPolarHBondContact OE1-CE 3.33Å; E1484-K1499 IonicContact OE1-NZ 2.9Å; E1484-K1499 PolarHBondContact OE1-NZ 2.87Å; E1484-K1499 WeakPolarHBondContact OE2-CE 3.44Å; E1484-K1499 IonicContact OE2-NZ 2.7Å; K1499-F1544 WeakPolarHBondContact O-CE1 3.48Å; K1499-F1544 WeakPolarHBondContact O-CZ 3.37Å; K1499-A1670 HydrophobicContact CG-CB 3.99Å
1500P80.9Confident82.9Confident6 Ų649.4 Ų49.44%0.03926%0.26CS..PPolyproline II helixtrans-58.7152.2164.120.3-28.2000112K1505 F1542 M1668P1500-K1505 HydrophobicContact CB-CB 3.96Å; P1500-K1505 HydrophobicContact CG-CB 3.79Å; P1500-K1505 HydrophobicContact CG-CG 3.93Å; P1500-F1542 HydrophobicContact CB-CD1 3.65Å; P1500-F1542 HydrophobicContact CB-CE1 3.78Å; P1500-F1542 HydrophobicContact CG-CE1 4.23Å; P1500-M1668 HydrophobicContact CG-CB 4.29Å; P1500-M1668 VanDerWaalsContact CG-O 3.25Å; P1500-M1668 WeakPolarHBondContact CG-O 3.39Å
1501S76.9Confident83.7Confident30 Ų3044.6 Ų44.621%0.2124%0.241CC..PPolyproline II helixtrans-61.3144.5169.6-176.20000111.1D1503 T1504 K1505 H1543S1501-D1503 PolarHBondContact O-N 2.8Å; S1501-D1503 VanDerWaalsContact O-N 3.14Å; S1501-T1504 PolarHBondContact O-N 3.49Å; S1501-T1504 PolarHBondContact O-OG1 2.02Å; S1501-K1505 VanDerWaalsContact O-CB 3.22Å; S1501-K1505 WeakPolarHBondContact O-CB 3.17Å; S1501-K1505 PolarHBondContact O-N 2.76Å; S1501-H1543 WeakPolarHBondContact CB-O 3.49Å; S1501-H1543 PolarHBondContact OG-O 3.31Å
1502E78.3Confident84.3Confident126 Ų12644.8 Ų44.859%0.58924%0.242SC*.Hα-helixtrans-57.9-32.4-174.3-66.5-62.9146.500112.8T1504 K1505E1502-T1504 VanDerWaalsContact C-N 3.27Å; E1502-T1504 PolarHBondContact O-N 3.3Å; E1502-K1505 IonicContact OE1-NZ 2.71Å; E1502-K1505 PolarHBondContact OE1-NZ 3.19Å; E1502-K1505 WeakPolarHBondContact OE2-CD 3.35Å; E1502-K1505 IonicContact OE2-NZ 3.25Å; E1502-K1505 PolarHBondContact OE2-NZ 2.84Å
1503D70.6Confident84.2Confident139 Ų13940.4 Ų40.474%0.74322%0.22SC*.Hα-helixtrans-65.2-25.8176.3-70.4-32.5000113.9S1501S1501-D1503 PolarHBondContact O-N 2.8Å; S1501-D1503 VanDerWaalsContact O-N 3.14Å
1504T73.7Confident83.5Confident7 Ų741.7 Ų41.74%0.04322%0.221CC..Hα-helixtrans-117.6-12.2-174.4670000113.4S1501 E1502 Q1539 M1541 H1543 Y1666S1501-T1504 PolarHBondContact O-N 3.49Å; S1501-T1504 PolarHBondContact O-OG1 2.02Å; E1502-T1504 VanDerWaalsContact C-N 3.27Å; E1502-T1504 PolarHBondContact O-N 3.3Å; T1504-Q1539 WeakPolarHBondContact CG2-O 3.26Å; T1504-M1541 WeakPolarHBondContact CB-O 3.3Å; T1504-M1541 WeakPolarHBondContact CG2-O 3.46Å; T1504-M1541 PolarHBondContact OG1-O 2.91Å; T1504-M1541 VanDerWaalsContact OG1-O 3.07Å; T1504-H1543 HydrophobicContact CG2-CB 3.78Å; T1504-Y1666 WeakPolarHBondContact O-CE2 3.33Å; T1504-Y1666 PolarHBondContact O-OH 2.97Å
1505K82.6Confident82.4Confident41 Ų4144 Ų4418%0.17824%0.235CC..Hα-helixtrans-64.6-41.7177.5173.1-179170.1-158.90113.2P1500 S1501 E1502 Y1667 M1668P1500-K1505 HydrophobicContact CB-CB 3.96Å; P1500-K1505 HydrophobicContact CG-CB 3.79Å; P1500-K1505 HydrophobicContact CG-CG 3.93Å; S1501-K1505 VanDerWaalsContact O-CB 3.22Å; S1501-K1505 WeakPolarHBondContact O-CB 3.17Å; S1501-K1505 PolarHBondContact O-N 2.76Å; E1502-K1505 IonicContact OE1-NZ 2.71Å; E1502-K1505 PolarHBondContact OE1-NZ 3.19Å; E1502-K1505 WeakPolarHBondContact OE2-CD 3.35Å; E1502-K1505 IonicContact OE2-NZ 3.25Å; E1502-K1505 PolarHBondContact OE2-NZ 2.84Å; K1505-Y1667 HydrophobicContact CG-CE2 4.09Å; K1505-Y1667 WeakPolarHBondContact O-CA 3.23Å; K1505-M1668 PolarHBondContact O-N 2.72Å
1506T85.9Confident81.3Confident69 Ų6946.4 Ų46.442%0.42325%0.248SC..EExtended strand (participates in β ladder)trans-134.5119.1-177.1-37.90000111.7Y1666 Y1667T1506-Y1666 WeakPolarHBondContact CA-O 3.5Å; T1506-Y1667 HydrophobicContact CG2-CD2 4.18Å
1507Q84.5Confident80.2Confident10 Ų1054.7 Ų54.75%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-99.9114.8167.2173.856.363.800108.2T1510 F1512 Q1528 T1538 G1665 Y1666Q1507-T1510 PolarHBondContact NE2-OG1 3.18Å; Q1507-F1512 HydrophobicContact CG-CZ 3.8Å; Q1507-Q1528 VanDerWaalsContact NE2-NE2 3.13Å; Q1507-T1538 VanDerWaalsContact OE1-CG2 3.22Å; Q1507-G1665 CarbonylContact O-C 3.53Å; Q1507-G1665 WeakPolarHBondContact O-CA 3.33Å; Q1507-Y1666 HydrophobicContact CB-CD1 3.44Å; Q1507-Y1666 VanDerWaalsContact CB-CD1 3.44Å; Q1507-Y1666 HydrophobicContact CB-CD2 4.3Å; Q1507-Y1666 HydrophobicContact CB-CE1 3.17Å; Q1507-Y1666 HydrophobicContact CB-CE2 4.08Å; Q1507-Y1666 HydrophobicContact CB-CG 3.98Å; Q1507-Y1666 HydrophobicContact CG-CD1 3.92Å; Q1507-Y1666 HydrophobicContact CG-CE1 3.69Å; Q1507-Y1666 PolarHBondContact N-O 2.71Å; Q1507-Y1666 PolarHBondContact O-N 3.04Å
1508P88.2Confident79.6Confident79 Ų7956.7 Ų56.751%0.51331%0.306SS..EExtended strand (participates in β ladder)trans-60.7156.7174.326.3-34.5000110.6T1510P1508-T1510 WeakPolarHBondContact O-CB 3.37Å; P1508-T1510 PolarHBondContact O-N 2.69Å; P1508-T1510 PolarHBondContact O-OG1 2.72Å
1509L89.2Confident78.9Confident50 Ų5062.7 Ų62.726%0.26233%0.332SS..EExtended strand (participates in β ladder)trans-57109.9174.3-176.169.3000109.3T1571 R1573 E1663L1509-T1571 HydrophobicContact CD1-CG2 4.19Å; L1509-R1573 HydrophobicContact CD1-CB 4.24Å; L1509-R1573 HydrophobicContact CD2-CB 4.11Å; L1509-E1663 HydrophobicContact CD1-CB 3.73Å; L1509-E1663 WeakPolarHBondContact CD1-O 3Å; L1509-E1663 WeakPolarHBondContact CD2-OE2 3.45Å; L1509-E1663 HydrophobicContact CG-CB 3.8Å; L1509-E1663 WeakPolarHBondContact CG-OE2 3.29Å
1510T85.6Confident78.9Confident24 Ų2461.5 Ų61.515%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-138.2142.1-167-55.70000110.8Q1507 P1508 F1512 Q1528 E1663 I1664Q1507-T1510 PolarHBondContact NE2-OG1 3.18Å; P1508-T1510 WeakPolarHBondContact O-CB 3.37Å; P1508-T1510 PolarHBondContact O-N 2.69Å; P1508-T1510 PolarHBondContact O-OG1 2.72Å; T1510-F1512 HydrophobicContact CG2-CE1 4.44Å; T1510-F1512 HydrophobicContact CG2-CZ 4.43Å; T1510-Q1528 HydrophobicContact CG2-CG 4.28Å; T1510-E1663 WeakPolarHBondContact O-CA 3.37Å; T1510-I1664 PolarHBondContact N-O 3.16Å; T1510-I1664 PolarHBondContact O-N 3.18Å
1511N85Confident79Confident45 Ų4561.3 Ų61.324%0.24133%0.329CS..PPolyproline II helixtrans-83.9125.2163.7-174.4-88.2000108.7E1659 S1660 Q1662 E1663N1511-E1659 PolarHBondContact ND2-O 3.17Å; N1511-S1660 PolarHBondContact ND2-O 3.07Å; N1511-Q1662 PolarHBondContact ND2-O 3.06Å; N1511-E1663 HydrophobicContact CB-CG 4.14Å
1512F79.3Confident79.4Confident7 Ų761.8 Ų61.83%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-101.5137.2179.8-61-91.5000110.8Q1507 T1510 L1526 Q1528 F1657 I1664Q1507-F1512 HydrophobicContact CG-CZ 3.8Å; T1510-F1512 HydrophobicContact CG2-CE1 4.44Å; T1510-F1512 HydrophobicContact CG2-CZ 4.43Å; F1512-L1526 HydrophobicContact CB-CB 4.19Å; F1512-L1526 HydrophobicContact CB-CD1 4.21Å; F1512-L1526 HydrophobicContact CB-CD2 4.14Å; F1512-L1526 HydrophobicContact CB-CG 4.42Å; F1512-L1526 HydrophobicContact CD1-CB 3.81Å; F1512-L1526 HydrophobicContact CD1-CD1 4.33Å; F1512-L1526 HydrophobicContact CD2-CD1 4.1Å; F1512-L1526 HydrophobicContact CE1-CB 4.45Å; F1512-L1526 HydrophobicContact CG-CB 4.1Å; F1512-L1526 HydrophobicContact CG-CD1 3.96Å; F1512-L1526 HydrophobicContact CG-CG 4.49Å; F1512-Q1528 HydrophobicContact CD1-CG 4.31Å; F1512-Q1528 HydrophobicContact CE1-CG 3.8Å; F1512-F1657 HydrophobicContact CB-CE1 4.16Å; F1512-F1657 AromaticContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CZ 4.09Å; F1512-I1664 HydrophobicContact CD2-CG2 4Å; F1512-I1664 HydrophobicContact CE2-CG2 3.61Å; F1512-I1664 WeakPolarHBondContact CE2-O 3Å
1513V72.4Confident79.7Confident47 Ų4756 Ų5629%0.28530%0.299SS..EExtended strand (participates in β ladder)trans-83.3123.4177.9-178.50000109.3K1527 Q1529 M1535V1513-K1527 PolarHBondContact N-O 2.69Å; V1513-Q1529 HydrophobicContact CG2-CB 3.97Å; V1513-Q1529 HydrophobicContact CG2-CG 4.26Å; V1513-M1535 HydrophobicContact CB-CE 3.91Å; V1513-M1535 HydrophobicContact CB-SD 3.92Å; V1513-M1535 HydrophobicContact CG1-CE 3.9Å; V1513-M1535 HydrophobicContact CG2-CE 4.33Å; V1513-M1535 HydrophobicContact CG2-SD 3.91Å
1514K67.4Low80.2Confident76 Ų7650.7 Ų50.733%0.3327%0.273SS..PPolyproline II helixtrans-60.7133.4173.3-77.6173.6159.8149.80111S1518 W1521 F1657 G1658K1514-S1518 WeakPolarHBondContact CE-O 3.44Å; K1514-W1521 HydrophobicContact CB-CZ2 4.06Å; K1514-W1521 HydrophobicContact CG-CZ2 3.89Å; K1514-F1657 WeakPolarHBondContact CE-O 3.48Å; K1514-F1657 PolarHBondContact NZ-O 3.13Å; K1514-G1658 WeakPolarHBondContact CD-O 3.22Å; K1514-G1658 WeakPolarHBondContact CE-O 2.99Å; K1514-G1658 PolarHBondContact NZ-O 3.12Å
1515T68.1Low80.5Confident61 Ų6154.1 Ų54.137%0.37429%0.288SS..SBendtrans-92.2-10.6174.149.70000114.1W1521 K1527T1515-W1521 WeakPolarHBondContact OG1-CH2 3.44Å; T1515-W1521 VanDerWaalsContact OG1-CZ3 3.29Å; T1515-W1521 WeakPolarHBondContact OG1-CZ3 3.29Å; T1515-K1527 HydrophobicContact CG2-CD 3.67Å; T1515-K1527 HydrophobicContact CG2-CG 4.02Å
1516N72.1Confident80.2Confident66 Ų6652.3 Ų52.335%0.35328%0.28SS..SBendtrans-163.2172.4-175.136.6-67.8000108.8S1518 W1521N1516-S1518 PolarHBondContact O-N 2.96Å; N1516-S1518 VanDerWaalsContact O-N 3.14Å; N1516-W1521 HydrophobicContact CB-CH2 4.27Å; N1516-W1521 WeakPolarHBondContact ND2-CH2 3.36Å; N1516-W1521 WeakPolarHBondContact O-CZ2 3.49Å; N1516-W1521 WeakPolarHBondContact OD1-CH2 3.35Å; N1516-W1521 WeakPolarHBondContact OD1-CZ3 3.5Å
1517N73.1Confident79.5Confident173 Ų17350.6 Ų50.693%0.92527%0.267SS*.SBendtrans-80.917.5-174-75-6.6000115.2
1518S79.8Confident78.8Confident43 Ų4352.3 Ų52.330%0.30128%0.275SS..  trans-65.9151.1175.4-169.10000111.2K1514 N1516 D1520 W1521K1514-S1518 WeakPolarHBondContact CE-O 3.44Å; N1516-S1518 PolarHBondContact O-N 2.96Å; N1516-S1518 VanDerWaalsContact O-N 3.14Å; S1518-D1520 PolarHBondContact OG-N 2.95Å; S1518-D1520 VanDerWaalsContact OG-N 3.09Å; S1518-D1520 PolarHBondContact OG-O 3.48Å; S1518-W1521 PolarHBondContact O-NE1 2.8Å
1519K77.7Confident77.5Confident128 Ų12854.7 Ų54.756%0.55728%0.28SS*.SBendtrans-95.5-21.2165.2-77.5-167.4176.1-168.90112.8E1656 F1657K1519-E1656 PolarHBondContact O-N 3.15Å; K1519-E1656 VanDerWaalsContact O-N 3.16Å; K1519-F1657 PolarHBondContact O-N 3.35Å
1520D84.6Confident76.3Confident65 Ų6556.8 Ų56.835%0.34829%0.287SS..  trans-111.7132.3-176-53-24.9000110.1S1518 L1654 K1655 E1656S1518-D1520 PolarHBondContact OG-N 2.95Å; S1518-D1520 VanDerWaalsContact OG-N 3.09Å; S1518-D1520 PolarHBondContact OG-O 3.48Å; D1520-L1654 CarbonylContact C-O 3.58Å; D1520-L1654 VanDerWaalsContact CA-O 3.29Å; D1520-L1654 WeakPolarHBondContact CA-O 3.37Å; D1520-K1655 WeakPolarHBondContact OD1-CA 3.37Å; D1520-E1656 PolarHBondContact OD1-N 3.45Å
1521W83.6Confident74.9Confident2 Ų265.2 Ų65.21%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-146119.4-163-68.896.7000113K1514 T1515 N1516 S1518 Q1525 L1526 Q1653 L1654K1514-W1521 HydrophobicContact CB-CZ2 4.06Å; K1514-W1521 HydrophobicContact CG-CZ2 3.89Å; T1515-W1521 WeakPolarHBondContact OG1-CH2 3.44Å; T1515-W1521 VanDerWaalsContact OG1-CZ3 3.29Å; T1515-W1521 WeakPolarHBondContact OG1-CZ3 3.29Å; N1516-W1521 HydrophobicContact CB-CH2 4.27Å; N1516-W1521 WeakPolarHBondContact ND2-CH2 3.36Å; N1516-W1521 WeakPolarHBondContact O-CZ2 3.49Å; N1516-W1521 WeakPolarHBondContact OD1-CH2 3.35Å; N1516-W1521 WeakPolarHBondContact OD1-CZ3 3.5Å; S1518-W1521 PolarHBondContact O-NE1 2.8Å; W1521-Q1525 HydrophobicContact CE3-CB 4.4Å; W1521-L1526 HydrophobicContact CB-CD1 4.49Å; W1521-L1526 HydrophobicContact CB-CD2 3.82Å; W1521-L1526 HydrophobicContact CB-CG 4.17Å; W1521-L1526 HydrophobicContact CD2-CD2 3.89Å; W1521-L1526 HydrophobicContact CE3-CD2 3.99Å; W1521-L1526 HydrophobicContact CG-CD2 3.84Å; W1521-Q1653 CarbonylContact O-C 3.55Å; W1521-Q1653 VanDerWaalsContact O-CA 3.29Å; W1521-Q1653 WeakPolarHBondContact O-CA 3.5Å; W1521-L1654 PolarHBondContact N-O 3.03Å; W1521-L1654 PolarHBondContact O-N 3.13Å
1522W86.7Confident73.6Confident40 Ų4070 Ų7015%0.15235%0.35CS..EExtended strand (participates in β ladder)trans-64134.1161.1-66.896.3000109.7S1524 Q1525 L1526 I1591 K1593 V1599 D1651 I1652 Q1653W1522-S1524 PolarHBondContact O-N 3.46Å; W1522-Q1525 HydrophobicContact CB-CB 4.36Å; W1522-Q1525 HydrophobicContact CB-CG 3.92Å; W1522-Q1525 WeakPolarHBondContact O-CA 3.23Å; W1522-Q1525 VanDerWaalsContact O-CB 3.31Å; W1522-Q1525 WeakPolarHBondContact O-CB 3.3Å; W1522-Q1525 PolarHBondContact O-N 3.41Å; W1522-L1526 PolarHBondContact O-N 2.88Å; W1522-I1591 HydrophobicContact CH2-CG2 3.86Å; W1522-I1591 HydrophobicContact CZ2-CG2 4.37Å; W1522-K1593 HydrophobicContact CH2-CB 3.83Å; W1522-K1593 HydrophobicContact CZ3-CB 3.67Å; W1522-V1599 HydrophobicContact CH2-CG1 4.05Å; W1522-V1599 HydrophobicContact CH2-CG2 4.13Å; W1522-V1599 HydrophobicContact CZ2-CG1 4.23Å; W1522-V1599 HydrophobicContact CZ2-CG2 4.21Å; W1522-D1651 HydrophobicContact CE3-CB 3.72Å; W1522-D1651 VanDerWaalsContact CE3-CG 3.49Å; W1522-D1651 HydrophobicContact CZ3-CB 4.03Å; W1522-I1652 CarbonylContact C-O 3.56Å; W1522-I1652 VanDerWaalsContact CA-O 3.29Å; W1522-I1652 WeakPolarHBondContact CA-O 3.41Å; W1522-I1652 VanDerWaalsContact CE3-C 3.42Å; W1522-Q1653 HydrophobicContact CD2-CB 3.7Å; W1522-Q1653 HydrophobicContact CD2-CG 4.42Å; W1522-Q1653 HydrophobicContact CE3-CB 3.68Å; W1522-Q1653 HydrophobicContact CG-CB 4.3Å; W1522-Q1653 HydrophobicContact CH2-CB 3.9Å; W1522-Q1653 HydrophobicContact CZ2-CB 3.92Å; W1522-Q1653 HydrophobicContact CZ3-CB 3.78Å
1523I84.2Confident72.5Confident4 Ų473 Ų732%0.02138%0.383CS..G310 helixtrans-61.6-35178.3-59.3-177.8000109.6Q1525 L1526 T1538 V1540 I1652 L1654 Y1666I1523-Q1525 PolarHBondContact O-N 3.04Å; I1523-L1526 HydrophobicContact CG1-CD1 4.45Å; I1523-L1526 PolarHBondContact O-N 3.23Å; I1523-T1538 CarbonylContact C-O 3.51Å; I1523-T1538 HydrophobicContact CG2-CG2 3.8Å; I1523-V1540 HydrophobicContact CB-CG2 3.55Å; I1523-V1540 HydrophobicContact CG2-CG2 3.36Å; I1523-I1652 HydrophobicContact CD1-CB 3.82Å; I1523-I1652 HydrophobicContact CD1-CD1 4.08Å; I1523-I1652 HydrophobicContact CD1-CG2 3.83Å; I1523-I1652 HydrophobicContact CG1-CB 4.15Å; I1523-I1652 HydrophobicContact CG1-CG2 4.31Å; I1523-I1652 PolarHBondContact N-O 2.66Å; I1523-L1654 HydrophobicContact CD1-CD2 4.27Å; I1523-L1654 HydrophobicContact CD1-CG 4.49Å; I1523-L1654 HydrophobicContact CG1-CD1 4.34Å; I1523-L1654 HydrophobicContact CG1-CD2 4.4Å; I1523-L1654 HydrophobicContact CG1-CG 4.12Å; I1523-Y1666 HydrophobicContact CD1-CD1 3.88Å; I1523-Y1666 HydrophobicContact CD1-CE1 3.99Å; I1523-Y1666 HydrophobicContact CG2-CE1 4.02Å
1524S80.3Confident71.8Confident27 Ų2775 Ų7519%0.18940%0.395CS..G310 helixtrans-55.5-17.7170.176.50000115.3W1522 K1537 T1538 D1651W1522-S1524 PolarHBondContact O-N 3.46Å; S1524-K1537 WeakPolarHBondContact O-CE 3.42Å; S1524-K1537 WeakPolarHBondContact O-CG 3.3Å; S1524-T1538 VanDerWaalsContact CA-O 3.23Å; S1524-T1538 WeakPolarHBondContact CA-O 3.48Å; S1524-T1538 PolarHBondContact N-O 2.84Å; S1524-D1651 WeakPolarHBondContact CB-OD2 3.43Å; S1524-D1651 PolarHBondContact N-OD1 2.75Å; S1524-D1651 PolarHBondContact OG-OD2 3.13Å
1525Q80.5Confident71.5Confident80 Ų8075.2 Ų75.237%0.37440%0.398SS..G310 helixtrans-95.5-26177.6-63.9176.7-0.800113.3W1521 W1522 I1523W1521-Q1525 HydrophobicContact CE3-CB 4.4Å; W1522-Q1525 HydrophobicContact CB-CB 4.36Å; W1522-Q1525 HydrophobicContact CB-CG 3.92Å; W1522-Q1525 WeakPolarHBondContact O-CA 3.23Å; W1522-Q1525 VanDerWaalsContact O-CB 3.31Å; W1522-Q1525 WeakPolarHBondContact O-CB 3.3Å; W1522-Q1525 PolarHBondContact O-N 3.41Å; I1523-Q1525 PolarHBondContact O-N 3.04Å
1526L76.5Confident71.2Confident2 Ų275.8 Ų75.81%0.0140%0.396CS..  trans-67.4151.7-178.1-66.6176.2000112.8F1512 W1521 W1522 I1523 K1537 T1538 L1654F1512-L1526 HydrophobicContact CB-CB 4.19Å; F1512-L1526 HydrophobicContact CB-CD1 4.21Å; F1512-L1526 HydrophobicContact CB-CD2 4.14Å; F1512-L1526 HydrophobicContact CB-CG 4.42Å; F1512-L1526 HydrophobicContact CD1-CB 3.81Å; F1512-L1526 HydrophobicContact CD1-CD1 4.33Å; F1512-L1526 HydrophobicContact CD2-CD1 4.1Å; F1512-L1526 HydrophobicContact CE1-CB 4.45Å; F1512-L1526 HydrophobicContact CG-CB 4.1Å; F1512-L1526 HydrophobicContact CG-CD1 3.96Å; F1512-L1526 HydrophobicContact CG-CG 4.49Å; W1521-L1526 HydrophobicContact CB-CD1 4.49Å; W1521-L1526 HydrophobicContact CB-CD2 3.82Å; W1521-L1526 HydrophobicContact CB-CG 4.17Å; W1521-L1526 HydrophobicContact CD2-CD2 3.89Å; W1521-L1526 HydrophobicContact CE3-CD2 3.99Å; W1521-L1526 HydrophobicContact CG-CD2 3.84Å; W1522-L1526 PolarHBondContact O-N 2.88Å; I1523-L1526 HydrophobicContact CG1-CD1 4.45Å; I1523-L1526 PolarHBondContact O-N 3.23Å; L1526-K1537 WeakPolarHBondContact O-CA 3.46Å; L1526-T1538 PolarHBondContact O-N 3.19Å; L1526-L1654 HydrophobicContact CD1-CD1 4.01Å
1527K71.2Confident70.7Confident33 Ų3375.8 Ų75.814%0.14339%0.394CS..EExtended strand (participates in β ladder)trans-114.8124.8175.5-70.6-175.7177.7-178.90110.8D167 V1513 T1515 M1535 H1536D167-K1527 WeakPolarHBondContact OD1-CE 3.19Å; D167-K1527 IonicContact OD1-NZ 3.01Å; D167-K1527 PolarHBondContact OD1-NZ 3.4Å; D167-K1527 IonicContact OD2-NZ 2.71Å; V1513-K1527 PolarHBondContact N-O 2.69Å; T1515-K1527 HydrophobicContact CG2-CD 3.67Å; T1515-K1527 HydrophobicContact CG2-CG 4.02Å; K1527-M1535 HydrophobicContact CB-CB 4.28Å; K1527-M1535 HydrophobicContact CB-SD 4.16Å; K1527-M1535 HydrophobicContact CD-CB 4.28Å; K1527-M1535 HydrophobicContact CD-CE 4.27Å; K1527-H1536 CarbonylContact C-O 3.51Å; K1527-H1536 WeakPolarHBondContact CA-O 3.49Å
1528Q68.8Low69.9Low47 Ų4768.2 Ų68.222%0.2235%0.353CS..EExtended strand (participates in β ladder)trans-71135.3165.4-75.2-174.29.100110.5Q1507 T1510 F1512 K1530 M1535 H1536Q1507-Q1528 VanDerWaalsContact NE2-NE2 3.13Å; T1510-Q1528 HydrophobicContact CG2-CG 4.28Å; F1512-Q1528 HydrophobicContact CD1-CG 4.31Å; F1512-Q1528 HydrophobicContact CE1-CG 3.8Å; Q1528-K1530 PolarHBondContact O-N 3.23Å; Q1528-M1535 VanDerWaalsContact O-CA 3.29Å; Q1528-M1535 WeakPolarHBondContact O-CA 3.37Å; Q1528-M1535 WeakPolarHBondContact O-CB 3.39Å; Q1528-H1536 PolarHBondContact N-O 2.91Å; Q1528-H1536 PolarHBondContact O-N 3.09Å
1529Q62.4Low68.7Low129 Ų12971.4 Ų71.460%0.60336%0.363SS*.  trans-86.5102169-165.3175.33.600110.2V1513 M1535V1513-Q1529 HydrophobicContact CG2-CB 3.97Å; V1513-Q1529 HydrophobicContact CG2-CG 4.26Å; Q1529-M1535 HydrophobicContact CB-SD 4.12Å; Q1529-M1535 HydrophobicContact CG-SD 4.32Å
1530K63.1Low67.5Low94 Ų9465.4 Ų65.441%0.40934%0.338SS..  trans-79.6146.3168.7-76.2-172.1177.61720110.6Q1528 N1532 G1533 H1536Q1528-K1530 PolarHBondContact O-N 3.23Å; K1530-N1532 PolarHBondContact O-N 3.45Å; K1530-G1533 PolarHBondContact O-N 2.83Å; K1530-H1536 PolarHBondContact NZ-CD2 2.98Å; K1530-H1536 VanDerWaalsContact NZ-CD2 3.33Å; K1530-H1536 PolarHBondContact NZ-NE2 3.03Å
1531Q56.9Low65.9Low200 Ų20064.6 Ų64.694%0.93533%0.332SS*.THydrogen-bonded Turntrans-57.6-21.7178.3-73.4-177-22.400114.5
1532N57.6Low64.4Low146 Ų14665 Ų6578%0.78133%0.334SS*.THydrogen-bonded Turntrans-98.228.5-179.1-65.15.9000113.6K1530 T1534K1530-N1532 PolarHBondContact O-N 3.45Å; N1532-T1534 PolarHBondContact O-N 2.85Å; N1532-T1534 PolarHBondContact O-OG1 2.75Å
1533G54.9Low62.3Low70 Ų7066.7 Ų66.772%0.72234%0.344SS*.SBendtrans74.4-18.5170.400000116.9K1530 M1535K1530-G1533 PolarHBondContact O-N 2.83Å; G1533-M1535 PolarHBondContact O-N 3.08Å
1534T58.3Low60.5Low90 Ų9068.6 Ų68.655%0.55235%0.352SS*.  trans-86.4101.6176.78.10000111.1N1532N1532-T1534 PolarHBondContact O-N 2.85Å; N1532-T1534 PolarHBondContact O-OG1 2.75Å
1535M60.4Low58.5Low79 Ų7974.3 Ų74.339%0.38938%0.375SS..  trans-72.8133.9175.9-67.4-139-88.200111.8V1513 K1527 Q1528 Q1529 G1533V1513-M1535 HydrophobicContact CB-CE 3.91Å; V1513-M1535 HydrophobicContact CB-SD 3.92Å; V1513-M1535 HydrophobicContact CG1-CE 3.9Å; V1513-M1535 HydrophobicContact CG2-CE 4.33Å; V1513-M1535 HydrophobicContact CG2-SD 3.91Å; K1527-M1535 HydrophobicContact CB-CB 4.28Å; K1527-M1535 HydrophobicContact CB-SD 4.16Å; K1527-M1535 HydrophobicContact CD-CB 4.28Å; K1527-M1535 HydrophobicContact CD-CE 4.27Å; Q1528-M1535 VanDerWaalsContact O-CA 3.29Å; Q1528-M1535 WeakPolarHBondContact O-CA 3.37Å; Q1528-M1535 WeakPolarHBondContact O-CB 3.39Å; Q1529-M1535 HydrophobicContact CB-SD 4.12Å; Q1529-M1535 HydrophobicContact CG-SD 4.32Å; G1533-M1535 PolarHBondContact O-N 3.08Å
1536H62.7Low56.8Low73 Ų7377.7 Ų77.734%0.33839%0.385SS..EExtended strand (participates in β ladder)trans-104.1136.4175.6-83.4-111.7000110.4K1527 Q1528 K1530K1527-H1536 CarbonylContact C-O 3.51Å; K1527-H1536 WeakPolarHBondContact CA-O 3.49Å; Q1528-H1536 PolarHBondContact N-O 2.91Å; Q1528-H1536 PolarHBondContact O-N 3.09Å; K1530-H1536 PolarHBondContact NZ-CD2 2.98Å; K1530-H1536 VanDerWaalsContact NZ-CD2 3.33Å; K1530-H1536 PolarHBondContact NZ-NE2 3.03Å
1537K61Low55.2Low67 Ų6781 Ų8129%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-79.8126.3173.6-170161.2-175.8133.40109.8S1524 L1526 Q1539S1524-K1537 WeakPolarHBondContact O-CE 3.42Å; S1524-K1537 WeakPolarHBondContact O-CG 3.3Å; L1526-K1537 WeakPolarHBondContact O-CA 3.46Å; K1537-Q1539 VanDerWaalsContact C-N 3.34Å; K1537-Q1539 PolarHBondContact O-N 3.05Å
1538T57.3Low54.2Low13 Ų1386.5 Ų86.58%0.0843%0.429CS..  trans-83.273.5-173.3-51.60000110.7Q1507 I1523 S1524 L1526 V1540Q1507-T1538 VanDerWaalsContact OE1-CG2 3.22Å; I1523-T1538 CarbonylContact C-O 3.51Å; I1523-T1538 HydrophobicContact CG2-CG2 3.8Å; S1524-T1538 VanDerWaalsContact CA-O 3.23Å; S1524-T1538 WeakPolarHBondContact CA-O 3.48Å; S1524-T1538 PolarHBondContact N-O 2.84Å; L1526-T1538 PolarHBondContact O-N 3.19Å; T1538-V1540 PolarHBondContact O-N 3.33Å
1539Q54.9Low53.6Low110 Ų11089.3 Ų89.351%0.51444%0.443SS..  trans-65.593.3179.3-73.6-168.2-98.300111.7T1504 K1537 M1541T1504-Q1539 WeakPolarHBondContact CG2-O 3.26Å; K1537-Q1539 VanDerWaalsContact C-N 3.34Å; K1537-Q1539 PolarHBondContact O-N 3.05Å; Q1539-M1541 PolarHBondContact O-N 2.68Å; Q1539-M1541 VanDerWaalsContact O-N 3.11Å
1540V52Low53.9Low3 Ų384.8 Ų84.82%0.01842%0.42CS..  trans-68.5107.2160.4-167.70000107.3I1523 T1538 V1650 I1652 Y1666 M1668I1523-V1540 HydrophobicContact CB-CG2 3.55Å; I1523-V1540 HydrophobicContact CG2-CG2 3.36Å; T1538-V1540 PolarHBondContact O-N 3.33Å; V1540-V1650 CarbonylContact C-O 3.6Å; V1540-V1650 VanDerWaalsContact O-O 3.13Å; V1540-I1652 HydrophobicContact CG1-CD1 4.4Å; V1540-Y1666 HydrophobicContact CG2-CE1 4.21Å; V1540-M1668 HydrophobicContact CG1-CE 4.01Å; V1540-M1668 HydrophobicContact CG1-SD 3.97Å
1541M51Low54.5Low47 Ų4784.2 Ų84.223%0.23242%0.418CS..SBendtrans-153.4153.2162.8-102.4164.632.300103.1T1504 Q1539 H1543 F1547T1504-M1541 WeakPolarHBondContact CB-O 3.3Å; T1504-M1541 WeakPolarHBondContact CG2-O 3.46Å; T1504-M1541 PolarHBondContact OG1-O 2.91Å; T1504-M1541 VanDerWaalsContact OG1-O 3.07Å; Q1539-M1541 PolarHBondContact O-N 2.68Å; Q1539-M1541 VanDerWaalsContact O-N 3.11Å; M1541-H1543 PolarHBondContact O-N 3Å; M1541-F1547 HydrophobicContact CB-CE2 3.97Å; M1541-F1547 HydrophobicContact CB-CZ 4.12Å; M1541-F1547 HydrophobicContact CE-CB 4.49Å; M1541-F1547 HydrophobicContact CE-CD1 3.49Å; M1541-F1547 VanDerWaalsContact CE-CD1 3.49Å; M1541-F1547 HydrophobicContact CE-CD2 3.94Å; M1541-F1547 HydrophobicContact CE-CE1 3.51Å; M1541-F1547 HydrophobicContact CE-CE2 3.96Å; M1541-F1547 HydrophobicContact CE-CG 3.71Å; M1541-F1547 HydrophobicContact CE-CZ 3.75Å; M1541-F1547 HydrophobicContact CG-CE1 4.22Å; M1541-F1547 HydrophobicContact CG-CE2 4.05Å; M1541-F1547 HydrophobicContact CG-CZ 3.67Å; M1541-F1547 HydrophobicContact SD-CD1 4.42Å; M1541-F1547 HydrophobicContact SD-CE1 3.87Å; M1541-F1547 HydrophobicContact SD-CZ 3.96Å
1542F51.2Low55.5Low11 Ų1176.4 Ų76.45%0.04839%0.391CS..  trans-69.383.1168-70.8-82.7000108.8P1500 F1544 F1547 P1648 L1649 M1668P1500-F1542 HydrophobicContact CB-CD1 3.65Å; P1500-F1542 HydrophobicContact CB-CE1 3.78Å; P1500-F1542 HydrophobicContact CG-CE1 4.23Å; F1542-F1544 HydrophobicContact CB-CD2 4.12Å; F1542-F1544 HydrophobicContact CB-CE2 3.7Å; F1542-F1544 WeakPolarHBondContact O-CD2 3.46Å; F1542-F1544 PolarHBondContact O-N 2.88Å; F1542-F1547 VanDerWaalsContact O-CD2 3.25Å; F1542-F1547 WeakPolarHBondContact O-CD2 3.32Å; F1542-F1547 WeakPolarHBondContact O-CE2 3.4Å; F1542-P1648 HydrophobicContact CD2-CB 3.85Å; F1542-P1648 HydrophobicContact CD2-CG 3.87Å; F1542-P1648 HydrophobicContact CE2-CB 3.47Å; F1542-P1648 VanDerWaalsContact CE2-CB 3.47Å; F1542-P1648 HydrophobicContact CE2-CG 4.02Å; F1542-P1648 HydrophobicContact CZ-CB 4Å; F1542-L1649 HydrophobicContact CE2-CB 4.45Å; F1542-L1649 WeakPolarHBondContact CE2-O 3.35Å; F1542-M1668 HydrophobicContact CD1-CE 4.44Å; F1542-M1668 HydrophobicContact CE1-CE 3.61Å; F1542-M1668 HydrophobicContact CE2-CE 3.77Å; F1542-M1668 HydrophobicContact CZ-CE 3.18Å
1543H42.3Very low56.8Low76 Ų7669.6 Ų69.635%0.35236%0.355SS..  trans-8157.4-168.2-162.851.5000111.5S1501 T1504 M1541 H1545S1501-H1543 WeakPolarHBondContact CB-O 3.49Å; S1501-H1543 PolarHBondContact OG-O 3.31Å; T1504-H1543 HydrophobicContact CG2-CB 3.78Å; M1541-H1543 PolarHBondContact O-N 3Å; H1543-H1545 PolarHBondContact O-N 3.2Å
1544F46.3Very low58.3Low44 Ų4466.8 Ų66.819%0.19332%0.323CS..  trans-43.6131.8148.5-55.8-71.2000106.6I1498 K1499 F1542 W1546 F1547 I1554I1498-F1544 HydrophobicContact CB-CZ 4.3Å; I1498-F1544 HydrophobicContact CG2-CE1 3.67Å; I1498-F1544 HydrophobicContact CG2-CE2 4.31Å; I1498-F1544 HydrophobicContact CG2-CZ 3.34Å; K1499-F1544 WeakPolarHBondContact O-CE1 3.48Å; K1499-F1544 WeakPolarHBondContact O-CZ 3.37Å; F1542-F1544 HydrophobicContact CB-CD2 4.12Å; F1542-F1544 HydrophobicContact CB-CE2 3.7Å; F1542-F1544 WeakPolarHBondContact O-CD2 3.46Å; F1542-F1544 PolarHBondContact O-N 2.88Å; F1544-W1546 PolarHBondContact O-N 2.85Å; F1544-F1547 PolarHBondContact O-N 3.07Å; F1544-I1554 HydrophobicContact CE2-CD1 4.47Å
1545H39.1Very low59.8Low146 Ų14666.6 Ų66.668%0.67631%0.312SS*.THydrogen-bonded Turntrans-70.129.1-166.7-168.4-86.8000113.5H1543H1543-H1545 PolarHBondContact O-N 3.2Å
1546W45Very low61.3Low151 Ų15165 Ų6557%0.57230%0.302SS*.THydrogen-bonded Turntrans-163.720.7-152.2-51.2116.8000111.7F1544 L1548 Q1549 Y1550F1544-W1546 PolarHBondContact O-N 2.85Å; W1546-L1548 PolarHBondContact O-N 2.99Å; W1546-Q1549 PolarHBondContact O-N 3.18Å; W1546-Y1550 HydrophobicContact CB-CD2 3.37Å; W1546-Y1550 HydrophobicContact CB-CE2 3.31Å; W1546-Y1550 AromaticContact CD1-CE2 3.58Å; W1546-Y1550 HydrophobicContact CD2-CE2 4.41Å; W1546-Y1550 HydrophobicContact CG-CD2 4.05Å; W1546-Y1550 AromaticContact CG-CE2 3.51Å; W1546-Y1550 HydrophobicContact CG-CE2 3.51Å
1547F43.2Very low62.7Low71 Ų7161.6 Ų61.631%0.31129%0.286SS..THydrogen-bonded Turntrans-54.1-15.9-157.9-163.4-99.8000117.7M1541 F1542 F1544M1541-F1547 HydrophobicContact CB-CE2 3.97Å; M1541-F1547 HydrophobicContact CB-CZ 4.12Å; M1541-F1547 HydrophobicContact CE-CB 4.49Å; M1541-F1547 HydrophobicContact CE-CD1 3.49Å; M1541-F1547 VanDerWaalsContact CE-CD1 3.49Å; M1541-F1547 HydrophobicContact CE-CD2 3.94Å; M1541-F1547 HydrophobicContact CE-CE1 3.51Å; M1541-F1547 HydrophobicContact CE-CE2 3.96Å; M1541-F1547 HydrophobicContact CE-CG 3.71Å; M1541-F1547 HydrophobicContact CE-CZ 3.75Å; M1541-F1547 HydrophobicContact CG-CE1 4.22Å; M1541-F1547 HydrophobicContact CG-CE2 4.05Å; M1541-F1547 HydrophobicContact CG-CZ 3.67Å; M1541-F1547 HydrophobicContact SD-CD1 4.42Å; M1541-F1547 HydrophobicContact SD-CE1 3.87Å; M1541-F1547 HydrophobicContact SD-CZ 3.96Å; F1542-F1547 VanDerWaalsContact O-CD2 3.25Å; F1542-F1547 WeakPolarHBondContact O-CD2 3.32Å; F1542-F1547 WeakPolarHBondContact O-CE2 3.4Å; F1544-F1547 PolarHBondContact O-N 3.07Å
1548L50.6Low64.2Low149 Ų14959 Ų5978%0.7828%0.275SS*.THydrogen-bonded Turntrans-85.3-21.5172.5-71.9170.5000114.2W1546W1546-L1548 PolarHBondContact O-N 2.99Å
1549Q54.6Low65.8Low107 Ų10763.3 Ų63.350%0.530%0.297SS..THydrogen-bonded Turntrans-90.2-37.7-173-167.1157.8-8.900112.5W1546W1546-Q1549 PolarHBondContact O-N 3.18Å
1550Y68.6Low67.6Low34 Ų3460.6 Ų60.613%0.13329%0.286CS..Hα-helixtrans-89-6.3-174.6-66.5-86000115.5D1479 F1481 W1546 G1552 L1553 I1554D1479-Y1550 WeakPolarHBondContact O-CE1 3.46Å; F1481-Y1550 HydrophobicContact CB-CD1 4.16Å; F1481-Y1550 HydrophobicContact CB-CE1 3.56Å; F1481-Y1550 AromaticContact CD1-CD1 3.92Å; F1481-Y1550 HydrophobicContact CD1-CD1 3.92Å; F1481-Y1550 AromaticContact CD1-CE1 3.88Å; F1481-Y1550 HydrophobicContact CD1-CE1 3.88Å; F1481-Y1550 AromaticContact CG-CD1 3.99Å; F1481-Y1550 HydrophobicContact CG-CD1 3.99Å; F1481-Y1550 AromaticContact CG-CE1 3.86Å; F1481-Y1550 HydrophobicContact CG-CE1 3.86Å; W1546-Y1550 HydrophobicContact CB-CD2 3.37Å; W1546-Y1550 HydrophobicContact CB-CE2 3.31Å; W1546-Y1550 AromaticContact CD1-CE2 3.58Å; W1546-Y1550 HydrophobicContact CD2-CE2 4.41Å; W1546-Y1550 HydrophobicContact CG-CD2 4.05Å; W1546-Y1550 AromaticContact CG-CE2 3.51Å; W1546-Y1550 HydrophobicContact CG-CE2 3.51Å; Y1550-G1552 VanDerWaalsContact C-N 3.28Å; Y1550-G1552 PolarHBondContact O-N 2.86Å; Y1550-L1553 HydrophobicContact CD1-CB 4.24Å; Y1550-L1553 HydrophobicContact CD1-CD1 3.25Å; Y1550-L1553 HydrophobicContact CD1-CG 4.3Å; Y1550-L1553 HydrophobicContact CE1-CD1 3.47Å; Y1550-L1553 VanDerWaalsContact CE1-CD1 3.47Å; Y1550-L1553 HydrophobicContact CG-CD1 4.05Å; Y1550-L1553 PolarHBondContact O-N 3.38Å; Y1550-I1554 WeakPolarHBondContact O-CG1 3.31Å; Y1550-I1554 PolarHBondContact O-N 3.26Å
1551F76.1Confident69.6Low82 Ų8261.3 Ų61.336%0.3629%0.289SS..Hα-helixtrans-63.1-37176.3-162.3-85.1000111.6R1555 F1595F1551-R1555 HydrophobicContact CD1-CG 4.39Å; F1551-R1555 HydrophobicContact CE1-CG 4.37Å; F1551-R1555 WeakPolarHBondContact O-CG 3.25Å; F1551-R1555 PolarHBondContact O-N 2.91Å; F1551-R1555 VanDerWaalsContact O-N 3.16Å; F1551-F1595 HydrophobicContact CD1-CE1 4.48Å; F1551-F1595 HydrophobicContact CD1-CZ 4.05Å; F1551-F1595 AromaticContact CD2-CE2 3.69Å; F1551-F1595 HydrophobicContact CD2-CE2 3.69Å; F1551-F1595 AromaticContact CD2-CZ 3.55Å; F1551-F1595 HydrophobicContact CD2-CZ 3.55Å; F1551-F1595 AromaticContact CE1-CE1 3.89Å; F1551-F1595 HydrophobicContact CE1-CE1 3.89Å; F1551-F1595 AromaticContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE2-CD2 4.08Å; F1551-F1595 AromaticContact CE2-CE1 3.94Å; F1551-F1595 HydrophobicContact CE2-CE1 3.94Å; F1551-F1595 AromaticContact CE2-CE2 3.33Å; F1551-F1595 HydrophobicContact CE2-CE2 3.33Å; F1551-F1595 AromaticContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CG-CE2 4.5Å; F1551-F1595 AromaticContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CZ-CD1 4.22Å; F1551-F1595 HydrophobicContact CZ-CD2 4.49Å; F1551-F1595 AromaticContact CZ-CE1 3.58Å; F1551-F1595 HydrophobicContact CZ-CE1 3.58Å; F1551-F1595 AromaticContact CZ-CE2 3.89Å; F1551-F1595 HydrophobicContact CZ-CE2 3.89Å; F1551-F1595 AromaticContact CZ-CZ 3.39Å; F1551-F1595 HydrophobicContact CZ-CZ 3.39Å
1552G77.8Confident71.5Confident36 Ų3663.1 Ų63.137%0.37131%0.306SS..Hα-helixtrans-64.2-48.7171.700000112.2Y1550 I1554 R1555 Y1556Y1550-G1552 VanDerWaalsContact C-N 3.28Å; Y1550-G1552 PolarHBondContact O-N 2.86Å; G1552-I1554 VanDerWaalsContact C-N 3.3Å; G1552-I1554 PolarHBondContact O-N 3.23Å; G1552-R1555 WeakPolarHBondContact O-CA 3.21Å; G1552-R1555 WeakPolarHBondContact O-CB 3.28Å; G1552-R1555 PolarHBondContact O-N 3.42Å; G1552-Y1556 VanDerWaalsContact O-CD2 3.28Å; G1552-Y1556 WeakPolarHBondContact O-CD2 3.07Å; G1552-Y1556 PolarHBondContact O-N 3.4Å
1553L85.8Confident73.6Confident3 Ų365.3 Ų65.32%0.01632%0.316CS..Hα-helixtrans-56.7-39.7178.2-75.2150.2000112.7P1472 N1473 D1479 F1481 Y1550 Y1556 L1557P1472-L1553 HydrophobicContact CG-CB 4.32Å; P1472-L1553 HydrophobicContact CG-CD2 3.76Å; P1472-L1553 WeakPolarHBondContact CG-O 3.44Å; N1473-L1553 WeakPolarHBondContact OD1-CD2 3.44Å; D1479-L1553 HydrophobicContact CB-CD1 4.35Å; D1479-L1553 WeakPolarHBondContact O-CD1 3.33Å; F1481-L1553 HydrophobicContact CD1-CB 4.43Å; F1481-L1553 HydrophobicContact CD1-CD1 4.34Å; F1481-L1553 HydrophobicContact CD1-CD2 4.06Å; F1481-L1553 HydrophobicContact CE1-CB 3.82Å; F1481-L1553 HydrophobicContact CE1-CD2 3.81Å; F1481-L1553 HydrophobicContact CE1-CG 4.28Å; F1481-L1553 HydrophobicContact CZ-CB 4.46Å; Y1550-L1553 HydrophobicContact CD1-CB 4.24Å; Y1550-L1553 HydrophobicContact CD1-CD1 3.25Å; Y1550-L1553 HydrophobicContact CD1-CG 4.3Å; Y1550-L1553 HydrophobicContact CE1-CD1 3.47Å; Y1550-L1553 VanDerWaalsContact CE1-CD1 3.47Å; Y1550-L1553 HydrophobicContact CG-CD1 4.05Å; Y1550-L1553 PolarHBondContact O-N 3.38Å; L1553-Y1556 PolarHBondContact O-N 2.91Å; L1553-L1557 PolarHBondContact O-N 2.92Å; L1553-L1557 VanDerWaalsContact O-N 3.13Å
1554I87.1Confident76Confident11 Ų1161.7 Ų61.76%0.05630%0.299CS..Hα-helixtrans-66.4-41172.5-65.8171.4000111.6I1498 F1544 Y1550 G1552 Y1556 L1557 Q1558 F1595 F1673I1498-I1554 HydrophobicContact CD1-CG1 4Å; F1544-I1554 HydrophobicContact CE2-CD1 4.47Å; Y1550-I1554 WeakPolarHBondContact O-CG1 3.31Å; Y1550-I1554 PolarHBondContact O-N 3.26Å; G1552-I1554 VanDerWaalsContact C-N 3.3Å; G1552-I1554 PolarHBondContact O-N 3.23Å; I1554-Y1556 VanDerWaalsContact C-N 3.28Å; I1554-Y1556 PolarHBondContact O-N 2.83Å; I1554-L1557 PolarHBondContact O-N 2.96Å; I1554-L1557 VanDerWaalsContact O-N 3.16Å; I1554-Q1558 HydrophobicContact CG2-CG 4.33Å; I1554-Q1558 VanDerWaalsContact O-CG 3.3Å; I1554-Q1558 WeakPolarHBondContact O-CG 3.3Å; I1554-Q1558 PolarHBondContact O-N 3.1Å; I1554-F1595 HydrophobicContact CB-CZ 4.08Å; I1554-F1595 HydrophobicContact CD1-CE2 4.41Å; I1554-F1595 HydrophobicContact CG2-CE1 4.09Å; I1554-F1595 HydrophobicContact CG2-CE2 4.05Å; I1554-F1595 HydrophobicContact CG2-CZ 3.67Å; I1554-F1673 HydrophobicContact CG2-CZ 4.34Å
1555R89Confident78.4Confident86 Ų8661.7 Ų61.733%0.32530%0.3SS..Hα-helixtrans-59.1-37.8174.4-74.4-81-177.7-135.21.8111.8F1551 G1552 Q1558 L1559 F1595F1551-R1555 HydrophobicContact CD1-CG 4.39Å; F1551-R1555 HydrophobicContact CE1-CG 4.37Å; F1551-R1555 WeakPolarHBondContact O-CG 3.25Å; F1551-R1555 PolarHBondContact O-N 2.91Å; F1551-R1555 VanDerWaalsContact O-N 3.16Å; G1552-R1555 WeakPolarHBondContact O-CA 3.21Å; G1552-R1555 WeakPolarHBondContact O-CB 3.28Å; G1552-R1555 PolarHBondContact O-N 3.42Å; R1555-Q1558 PolarHBondContact O-N 2.68Å; R1555-L1559 WeakPolarHBondContact O-CG 3.28Å; R1555-L1559 PolarHBondContact O-N 3.39Å; R1555-F1595 HydrophobicContact CG-CE1 4.26Å; R1555-F1595 VanDerWaalsContact CZ-CE1 3.5Å
1556Y91.7Very high81Confident46 Ų4654.9 Ų54.918%0.1827%0.268CS..Hα-helixtrans-65.4-44.2172.8-79.3-82.4000112.4N1473 G1552 L1553 I1554 Q1558 L1559 L1560N1473-Y1556 HydrophobicContact CB-CD1 4.33Å; N1473-Y1556 HydrophobicContact CB-CD2 3.5Å; N1473-Y1556 HydrophobicContact CB-CE1 4.32Å; N1473-Y1556 HydrophobicContact CB-CE2 3.49Å; N1473-Y1556 VanDerWaalsContact CB-CE2 3.49Å; N1473-Y1556 HydrophobicContact CB-CG 3.95Å; G1552-Y1556 VanDerWaalsContact O-CD2 3.28Å; G1552-Y1556 WeakPolarHBondContact O-CD2 3.07Å; G1552-Y1556 PolarHBondContact O-N 3.4Å; L1553-Y1556 PolarHBondContact O-N 2.91Å; I1554-Y1556 VanDerWaalsContact C-N 3.28Å; I1554-Y1556 PolarHBondContact O-N 2.83Å; Y1556-Q1558 VanDerWaalsContact C-N 3.28Å; Y1556-Q1558 PolarHBondContact O-N 2.97Å; Y1556-L1559 PolarHBondContact O-N 2.9Å; Y1556-L1560 WeakPolarHBondContact O-CG 3.41Å; Y1556-L1560 PolarHBondContact O-N 2.85Å
1557L91.9Very high83.4Confident0 Ų050.6 Ų50.60%026%0.256CS..Hα-helixtrans-58.7-39.1173.2-78.6172.6000112.8H1449 I1470 P1472 F1481 T1496 I1498 L1553 I1554 L1559 L1560 H1561 F1673H1449-L1557 HydrophobicContact CB-CD2 4.19Å; I1470-L1557 HydrophobicContact CD1-CD1 4.07Å; I1470-L1557 HydrophobicContact CD1-CD2 3.96Å; I1470-L1557 HydrophobicContact CD1-CG 4.44Å; P1472-L1557 HydrophobicContact CB-CD2 4.09Å; P1472-L1557 HydrophobicContact CB-CG 3.96Å; P1472-L1557 HydrophobicContact CG-CD2 4.48Å; P1472-L1557 HydrophobicContact CG-CG 4Å; F1481-L1557 HydrophobicContact CZ-CD1 3.86Å; T1496-L1557 HydrophobicContact CG2-CD1 4.16Å; T1496-L1557 HydrophobicContact CG2-CD2 3.76Å; I1498-L1557 HydrophobicContact CD1-CD1 3.6Å; I1498-L1557 HydrophobicContact CG1-CD1 4.24Å; L1553-L1557 PolarHBondContact O-N 2.92Å; L1553-L1557 VanDerWaalsContact O-N 3.13Å; I1554-L1557 PolarHBondContact O-N 2.96Å; I1554-L1557 VanDerWaalsContact O-N 3.16Å; L1557-L1559 PolarHBondContact O-N 3.17Å; L1557-L1560 PolarHBondContact O-N 3.2Å; L1557-H1561 VanDerWaalsContact CD2-CE1 3.48Å; L1557-H1561 WeakPolarHBondContact CD2-CE1 3.34Å; L1557-H1561 PolarHBondContact O-N 3.06Å; L1557-H1561 PolarHBondContact O-ND1 3.41Å; L1557-F1673 HydrophobicContact CB-CD2 4.43Å; L1557-F1673 HydrophobicContact CD1-CD2 4.4Å
1558Q91.8Very high85.7Confident14 Ų1447.3 Ų47.37%0.06524%0.241CC..Hα-helixtrans-64.5-24.8176.2-70.3170.8-10.600113.6I1554 R1555 Y1556 F1595 P1644 L1647 F1673I1554-Q1558 HydrophobicContact CG2-CG 4.33Å; I1554-Q1558 VanDerWaalsContact O-CG 3.3Å; I1554-Q1558 WeakPolarHBondContact O-CG 3.3Å; I1554-Q1558 PolarHBondContact O-N 3.1Å; R1555-Q1558 PolarHBondContact O-N 2.68Å; Y1556-Q1558 VanDerWaalsContact C-N 3.28Å; Y1556-Q1558 PolarHBondContact O-N 2.97Å; Q1558-F1595 VanDerWaalsContact NE2-CE1 3.34Å; Q1558-P1644 HydrophobicContact CB-CB 4.02Å; Q1558-P1644 HydrophobicContact CG-CB 4.11Å; Q1558-P1644 PolarHBondContact NE2-O 3.46Å; Q1558-L1647 PolarHBondContact NE2-O 2.81Å; Q1558-F1673 HydrophobicContact CG-CE1 3.86Å; Q1558-F1673 HydrophobicContact CG-CZ 4.4Å
1559L91.9Very high87.9Confident103 Ų10341.8 Ų41.854%0.53921%0.214SC..Hα-helixtrans-85.3-21.2175.6-68.9172.1000113.3V329 R1555 Y1556 L1557V329-L1559 HydrophobicContact CG1-CD2 4.2Å; V329-L1559 HydrophobicContact CG2-CD1 4.19Å; V329-L1559 HydrophobicContact CG2-CD2 4.09Å; R1555-L1559 WeakPolarHBondContact O-CG 3.28Å; R1555-L1559 PolarHBondContact O-N 3.39Å; Y1556-L1559 PolarHBondContact O-N 2.9Å; L1557-L1559 PolarHBondContact O-N 3.17Å
1560L92.2Very high89.8Confident53 Ų5336.7 Ų36.728%0.27719%0.19SC..Hα-helixtrans-92-24.4-176.2-66.9168000113.7R1448 P1472 Y1556 L1557R1448-L1560 HydrophobicContact CG-CD1 3.76Å; P1472-L1560 HydrophobicContact CB-CD1 4.1Å; Y1556-L1560 WeakPolarHBondContact O-CG 3.41Å; Y1556-L1560 PolarHBondContact O-N 2.85Å; L1557-L1560 PolarHBondContact O-N 3.2Å
1561H94Very high91Very high18 Ų1836 Ų368%0.08319%0.19CC..  trans-107.8163-176.2-60.984.6000111.6H1449 T1496 L1557 P1644 F1673 S1674H1449-H1561 AromaticContact CD2-CE1 3.6Å; H1449-H1561 AromaticContact CD2-NE2 3.68Å; T1496-H1561 PolarHBondContact OG1-NE2 3.38Å; L1557-H1561 VanDerWaalsContact CD2-CE1 3.48Å; L1557-H1561 WeakPolarHBondContact CD2-CE1 3.34Å; L1557-H1561 PolarHBondContact O-N 3.06Å; L1557-H1561 PolarHBondContact O-ND1 3.41Å; H1561-P1644 WeakPolarHBondContact O-CG 3.46Å; H1561-F1673 HydrophobicContact CB-CB 3.87Å; H1561-F1673 VanDerWaalsContact CD2-C 3.41Å; H1561-F1673 PolarHBondContact CD2-O 3.34Å; H1561-F1673 VanDerWaalsContact CG-CB 3.49Å; H1561-S1674 PolarHBondContact CD2-N 3.47Å
1562S92Very high91.9Very high85 Ų8532.3 Ų32.359%0.59417%0.174SC*.SBendtrans-99.1-22.6-178.769.50000113.1S1674S1562-S1674 PolarHBondContact N-O 3.34Å; S1562-S1674 PolarHBondContact OG-O 3.06Å
1563K93.6Very high92.7Very high56 Ų5634.3 Ų34.324%0.24317%0.17CC..  trans-145.6148.8-171170.5-176.4173.9-110.40109.6E1565 A1641 F1673 S1674K1563-E1565 WeakPolarHBondContact CE-OE1 3.42Å; K1563-E1565 HydrophobicContact CG-CG 4.5Å; K1563-E1565 IonicContact NZ-OE1 2.71Å; K1563-E1565 PolarHBondContact NZ-OE1 3.2Å; K1563-E1565 IonicContact NZ-OE2 3.44Å; K1563-E1565 PolarHBondContact NZ-OE2 3.5Å; K1563-A1641 CarbonylContact C-O 3.45Å; K1563-A1641 VanDerWaalsContact CA-O 3.29Å; K1563-A1641 WeakPolarHBondContact CA-O 3.16Å; K1563-F1673 WeakPolarHBondContact O-CA 3.31Å; K1563-S1674 WeakPolarHBondContact CB-OG 3.47Å; K1563-S1674 PolarHBondContact N-O 3.49Å; K1563-S1674 PolarHBondContact O-N 3.25Å
1564A94.5Very high93Very high0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-130.8141170.600000109.6A1641 P1644 L1647 C1672 F1673A1564-A1641 HydrophobicContact CB-CB 4.48Å; A1564-A1641 PolarHBondContact N-O 2.96Å; A1564-A1641 PolarHBondContact O-N 2.85Å; A1564-P1644 HydrophobicContact CB-CB 4.27Å; A1564-L1647 HydrophobicContact CB-CB 4.02Å; A1564-L1647 HydrophobicContact CB-CD1 4.04Å; A1564-C1672 CarbonylContact C-O 3.6Å; A1564-C1672 VanDerWaalsContact CA-O 3.31Å; A1564-C1672 WeakPolarHBondContact CA-O 3.28Å; A1564-F1673 HydrophobicContact CB-CD1 3.69Å; A1564-F1673 HydrophobicContact CB-CE1 3.76Å
1565E95.3Very high93.3Very high44 Ų4435 Ų3521%0.20617%0.174CC..EExtended strand (participates in β ladder)trans-128.9142.7176.1-72.8-177.2154.100111K1563 F1639 V1640 V1671 C1672K1563-E1565 WeakPolarHBondContact CE-OE1 3.42Å; K1563-E1565 HydrophobicContact CG-CG 4.5Å; K1563-E1565 IonicContact NZ-OE1 2.71Å; K1563-E1565 PolarHBondContact NZ-OE1 3.2Å; K1563-E1565 IonicContact NZ-OE2 3.44Å; K1563-E1565 PolarHBondContact NZ-OE2 3.5Å; E1565-F1639 VanDerWaalsContact CA-O 3.31Å; E1565-F1639 WeakPolarHBondContact CA-O 3.45Å; E1565-V1640 HydrophobicContact CG-CB 4.28Å; E1565-V1640 HydrophobicContact CG-CG1 4Å; E1565-V1640 HydrophobicContact CG-CG2 4.07Å; E1565-V1640 WeakPolarHBondContact OE1-CG1 3.41Å; E1565-V1640 WeakPolarHBondContact OE1-CG2 3.47Å; E1565-V1671 WeakPolarHBondContact O-CA 3.24Å; E1565-C1672 PolarHBondContact N-O 3.49Å; E1565-C1672 PolarHBondContact O-N 3.47Å
1566Q93.8Very high93.4Very high3 Ų331.3 Ų31.31%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-147.2138.8174.5-178.815154.900110.9F1639 L1647 D1669 V1671Q1566-F1639 PolarHBondContact N-O 2.81Å; Q1566-F1639 PolarHBondContact O-N 3.01Å; Q1566-L1647 HydrophobicContact CB-CD1 4.15Å; Q1566-L1647 HydrophobicContact CB-CD2 4.33Å; Q1566-D1669 PolarHBondContact NE2-O 3.08Å; Q1566-D1669 VanDerWaalsContact NE2-O 3.12Å; Q1566-V1671 HydrophobicContact CB-CB 4.48Å
1567I94.9Very high93.5Very high62 Ų6229.2 Ų29.232%0.31815%0.153SC..EExtended strand (participates in β ladder)trans-112.9137.9177.8-60.3173.5000109.6V1636 F1637 E1638 D1669I1567-V1636 HydrophobicContact CG2-CG1 3.69Å; I1567-F1637 WeakPolarHBondContact CA-O 3.42Å; I1567-E1638 HydrophobicContact CG1-CB 4.35Å; I1567-E1638 HydrophobicContact CG1-CG 4.08Å; I1567-D1669 HydrophobicContact CB-CB 4.12Å; I1567-D1669 WeakPolarHBondContact O-CB 3.13Å; I1567-D1669 PolarHBondContact O-N 2.97Å
1568I93.2Very high93.7Very high1 Ų129.8 Ų29.81%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-130133.7167.3-174.2170.9000110.2F1570 F1637 F1639 L1649 I1652 Y1666 Y1667 M1668I1568-F1570 HydrophobicContact CD1-CE1 4.12Å; I1568-F1570 HydrophobicContact CD1-CE2 3.93Å; I1568-F1570 HydrophobicContact CD1-CZ 3.59Å; I1568-F1570 HydrophobicContact CG1-CE2 4.1Å; I1568-F1570 HydrophobicContact CG1-CZ 4.22Å; I1568-F1570 HydrophobicContact CG2-CE2 3.92Å; I1568-F1637 HydrophobicContact CG2-CB 3.84Å; I1568-F1637 PolarHBondContact N-O 2.65Å; I1568-F1637 PolarHBondContact O-N 2.83Å; I1568-F1639 HydrophobicContact CG2-CD2 4.46Å; I1568-F1639 HydrophobicContact CG2-CE2 3.8Å; I1568-L1649 HydrophobicContact CG2-CD1 4.36Å; I1568-I1652 HydrophobicContact CD1-CD1 3.31Å; I1568-I1652 HydrophobicContact CD1-CG1 4.3Å; I1568-Y1666 HydrophobicContact CD1-CD2 4.36Å; I1568-Y1666 HydrophobicContact CD1-CG 4.48Å; I1568-Y1667 CarbonylContact C-O 3.41Å; I1568-Y1667 WeakPolarHBondContact CA-O 3.27Å; I1568-M1668 HydrophobicContact CB-CG 4.32Å; I1568-M1668 HydrophobicContact CD1-CG 3.52Å; I1568-M1668 HydrophobicContact CD1-SD 4.17Å; I1568-M1668 HydrophobicContact CG1-CG 3.77Å
1569T95.4Very high93.8Very high33 Ų3331.5 Ų31.520%0.20216%0.163CC..EExtended strand (participates in β ladder)trans-113.4108.5177.1-60.80000109.2S1635 V1636 Y1666 Y1667T1569-S1635 CarbonylContact C-O 3.27Å; T1569-S1635 WeakPolarHBondContact CA-O 3.38Å; T1569-V1636 HydrophobicContact CG2-CG2 4.04Å; T1569-Y1666 CarbonylContact O-C 3.53Å; T1569-Y1666 VanDerWaalsContact O-CA 3.25Å; T1569-Y1666 WeakPolarHBondContact O-CA 3.36Å; T1569-Y1667 PolarHBondContact N-O 3.1Å; T1569-Y1667 PolarHBondContact O-N 3.32Å
1570F94.5Very high93.8Very high1 Ų126.6 Ų26.60%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-77.6132.3169.8-68.1-82.6000109.7I1568 V1577 V1590 S1634 S1635 F1637 I1652 I1664 G1665I1568-F1570 HydrophobicContact CD1-CE1 4.12Å; I1568-F1570 HydrophobicContact CD1-CE2 3.93Å; I1568-F1570 HydrophobicContact CD1-CZ 3.59Å; I1568-F1570 HydrophobicContact CG1-CE2 4.1Å; I1568-F1570 HydrophobicContact CG1-CZ 4.22Å; I1568-F1570 HydrophobicContact CG2-CE2 3.92Å; F1570-V1577 HydrophobicContact CB-CG1 4.32Å; F1570-V1577 HydrophobicContact CB-CG2 4.16Å; F1570-V1577 HydrophobicContact CD1-CG1 4.37Å; F1570-V1577 HydrophobicContact CG-CG1 4.27Å; F1570-V1590 HydrophobicContact CD2-CG2 4.44Å; F1570-V1590 HydrophobicContact CE1-CG1 4.32Å; F1570-V1590 HydrophobicContact CE2-CG2 3.92Å; F1570-V1590 HydrophobicContact CZ-CG1 4.03Å; F1570-V1590 HydrophobicContact CZ-CG2 4.21Å; F1570-S1634 CarbonylContact O-C 3.59Å; F1570-S1634 WeakPolarHBondContact O-CA 3.24Å; F1570-S1635 PolarHBondContact N-O 3.23Å; F1570-S1635 PolarHBondContact O-N 3.42Å; F1570-F1637 AromaticContact CD2-CD2 3.66Å; F1570-F1637 HydrophobicContact CD2-CD2 3.66Å; F1570-F1637 AromaticContact CD2-CE2 3.59Å; F1570-F1637 HydrophobicContact CD2-CE2 3.59Å; F1570-F1637 AromaticContact CE2-CD2 3.91Å; F1570-F1637 HydrophobicContact CE2-CD2 3.91Å; F1570-F1637 AromaticContact CE2-CE2 3.98Å; F1570-F1637 HydrophobicContact CE2-CE2 3.98Å; F1570-I1652 HydrophobicContact CE1-CD1 4.31Å; F1570-I1652 HydrophobicContact CE1-CG2 3.96Å; F1570-I1652 HydrophobicContact CZ-CD1 4.09Å; F1570-I1652 HydrophobicContact CZ-CG1 4.4Å; F1570-I1652 HydrophobicContact CZ-CG2 3.73Å; F1570-I1664 HydrophobicContact CD1-CD1 4.07Å; F1570-I1664 HydrophobicContact CD1-CG1 4.46Å; F1570-G1665 CarbonylContact C-O 3.52Å; F1570-G1665 WeakPolarHBondContact CA-O 3.08Å
1571T95Very high93.9Very high20 Ų2026.7 Ų26.712%0.12314%0.14CC..EExtended strand (participates in β ladder)trans-102.9128.1166.6-55.80000108L1509 K1632 I1664 G1665L1509-T1571 HydrophobicContact CD1-CG2 4.19Å; T1571-K1632 HydrophobicContact CG2-CD 3.55Å; T1571-K1632 HydrophobicContact CG2-CG 3.63Å; T1571-I1664 CarbonylContact O-C 3.55Å; T1571-I1664 WeakPolarHBondContact O-CA 3.1Å; T1571-G1665 PolarHBondContact N-O 3.11Å; T1571-G1665 PolarHBondContact O-N 3.08Å; T1571-G1665 VanDerWaalsContact O-O 3.1Å
1572C94.2Very high93.6Very high4 Ų433.8 Ų33.83%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-125.2153-173.759.50000112.2T1575 C1625 K1632 A1633C1572-T1575 VanDerWaalsContact CB-O 3.3Å; C1572-T1575 WeakPolarHBondContact CB-O 3.45Å; C1572-C1625 HydrophobicContact CB-CB 3.9Å; C1572-C1625 WeakPolarHBondContact CB-SG 3.43Å; C1572-C1625 VanDerWaalsContact SG-CA 3.5Å; C1572-C1625 WeakPolarHBondContact SG-CB 3.39Å; C1572-C1625 CovalentContact SG-SG 2.02Å; C1572-C1625 PolarHBondContact SG-SG 3.49Å; C1572-K1632 WeakPolarHBondContact O-CA 3.2Å; C1572-A1633 PolarHBondContact N-O 2.88Å; C1572-A1633 PolarHBondContact O-N 3.1Å; C1572-A1633 VanDerWaalsContact O-N 3.13Å; C1572-A1633 PolarHBondContact SG-O 3.33Å; C1572-A1633 VanDerWaalsContact SG-O 3.38Å
1573R94.7Very high93.4Very high78 Ų7833.1 Ų33.129%0.29416%0.16SC..EExtended strand (participates in β ladder)trans-141.7130.1161.2-156.1-176.386-154.8-3.5108.4L1509 T1575 K1630 E1663L1509-R1573 HydrophobicContact CD1-CB 4.24Å; L1509-R1573 HydrophobicContact CD2-CB 4.11Å; R1573-T1575 PolarHBondContact O-N 3.34Å; R1573-T1575 PolarHBondContact O-OG1 3.28Å; R1573-K1630 VanDerWaalsContact CD-O 3.28Å; R1573-K1630 WeakPolarHBondContact CD-O 3.48Å; R1573-K1630 WeakPolarHBondContact CG-O 3.37Å; R1573-E1663 HydrophobicContact CB-CB 4.19Å; R1573-E1663 IonicContact CZ-OE1 2.86Å; R1573-E1663 IonicContact CZ-OE2 2.86Å; R1573-E1663 PolarHBondContact N-O 3.46Å; R1573-E1663 IonicContact NE-OE2 2.62Å; R1573-E1663 IonicContact NH1-OE1 3.12Å; R1573-E1663 PolarHBondContact NH1-OE1 3.03Å; R1573-E1663 IonicContact NH1-OE2 3.83Å; R1573-E1663 PolarHBondContact NH1-OE2 3.11Å; R1573-E1663 IonicContact NH2-OE1 3.83Å; R1573-E1663 PolarHBondContact NH2-OE1 3.11Å; R1573-E1663 IonicContact NH2-OE2 3.93Å; R1573-E1663 PolarHBondContact O-N 3.18Å; R1573-E1663 VanDerWaalsContact O-O 3.11Å
1574N92.7Very high93.3Very high24 Ų2438.2 Ų38.213%0.12819%0.185CC..SBendtrans54.116.4-175.4-153.654000115.7R1628 S1629 D1661N1574-R1628 PolarHBondContact OD1-O 3.11Å; N1574-S1629 WeakPolarHBondContact CA-O 2.98Å; N1574-S1629 PolarHBondContact N-O 3.25Å; N1574-D1661 PolarHBondContact ND2-OD1 3.44Å; N1574-D1661 PolarHBondContact ND2-OD2 3.26Å
1575T92.3Very high93.2Very high5 Ų540.2 Ų40.23%0.03120%0.195CC..  trans-133.4113.5-166.2-54.10000110.1C1572 R1573 F1657 Q1662 E1663C1572-T1575 VanDerWaalsContact CB-O 3.3Å; C1572-T1575 WeakPolarHBondContact CB-O 3.45Å; R1573-T1575 PolarHBondContact O-N 3.34Å; R1573-T1575 PolarHBondContact O-OG1 3.28Å; T1575-F1657 HydrophobicContact CG2-CD2 3.64Å; T1575-F1657 HydrophobicContact CG2-CE2 3.82Å; T1575-Q1662 WeakPolarHBondContact OG1-CB 2.99Å; T1575-E1663 PolarHBondContact OG1-N 2.7Å; T1575-E1663 PolarHBondContact OG1-O 3.42Å
1576P92.7Very high93Very high7 Ų741.8 Ų41.85%0.04520%0.2CC..  trans-72.9145.2169.231.5-31.7000110.2D1580 N1588 C1625P1576-D1580 HydrophobicContact CB-CB 4.04Å; P1576-D1580 HydrophobicContact CG-CB 4.12Å; P1576-N1588 HydrophobicContact CB-CB 4.27Å; P1576-N1588 HydrophobicContact CG-CB 3.87Å; P1576-C1625 WeakPolarHBondContact CA-O 3.46Å
1577V93.7Very high92.8Very high2 Ų248.5 Ų48.51%0.01223%0.229CC..SBendtrans-124-7.6175.5-90.40000113.4F1570 N1588 A1589 V1590 C1625 I1664F1570-V1577 HydrophobicContact CB-CG1 4.32Å; F1570-V1577 HydrophobicContact CB-CG2 4.16Å; F1570-V1577 HydrophobicContact CD1-CG1 4.37Å; F1570-V1577 HydrophobicContact CG-CG1 4.27Å; V1577-N1588 CarbonylContact C-O 3.51Å; V1577-N1588 VanDerWaalsContact C-O 3.27Å; V1577-A1589 WeakPolarHBondContact O-CA 3.39Å; V1577-V1590 HydrophobicContact CB-CG2 4.31Å; V1577-V1590 WeakPolarHBondContact O-CG2 3.08Å; V1577-V1590 PolarHBondContact O-N 3.27Å; V1577-C1625 HydrophobicContact CG2-CB 3.38Å; V1577-C1625 VanDerWaalsContact CG2-SG 3.57Å; V1577-I1664 HydrophobicContact CG1-CD1 3.49Å; V1577-I1664 VanDerWaalsContact CG1-CD1 3.49Å
1578Y94.7Very high92.5Very high13 Ų1345.7 Ų45.75%0.05122%0.215CC..SBendtrans-141.6-80.5176.6-168.4-115.3000111.5Y1586 A1589 V1621 D1623 F1637Y1578-Y1586 HydrophobicContact CD1-CD1 4.05Å; Y1578-Y1586 AromaticContact CD1-CE1 3.85Å; Y1578-Y1586 HydrophobicContact CD1-CE1 3.85Å; Y1578-Y1586 AromaticContact CE1-CD1 3.95Å; Y1578-Y1586 HydrophobicContact CE1-CD1 3.95Å; Y1578-Y1586 AromaticContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CG-CD1 4.41Å; Y1578-A1589 HydrophobicContact CD2-CB 3.95Å; Y1578-A1589 HydrophobicContact CE2-CB 4.38Å; Y1578-A1589 PolarHBondContact O-N 2.91Å; Y1578-V1621 HydrophobicContact CD1-CB 4.43Å; Y1578-V1621 HydrophobicContact CD1-CG1 3.85Å; Y1578-V1621 HydrophobicContact CD2-CG1 4.33Å; Y1578-V1621 HydrophobicContact CD2-CG2 4.49Å; Y1578-V1621 HydrophobicContact CE1-CB 4.2Å; Y1578-V1621 HydrophobicContact CE1-CG1 4.13Å; Y1578-V1621 HydrophobicContact CE1-CG2 4.33Å; Y1578-V1621 HydrophobicContact CE2-CG2 4.06Å; Y1578-V1621 HydrophobicContact CG-CG1 3.95Å; Y1578-D1623 WeakPolarHBondContact CB-OD2 3.2Å; Y1578-D1623 HydrophobicContact CD1-CB 4.39Å; Y1578-F1637 AromaticContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CZ 4.04Å; Y1578-F1637 HydrophobicContact CE2-CE1 4.33Å; Y1578-F1637 HydrophobicContact CG-CE1 4.37Å; Y1578-F1637 HydrophobicContact CG-CZ 4.26Å
1579F94Very high92.5Very high49 Ų4945.6 Ų45.622%0.21521%0.214CC..  trans-91.9140.4171.6-170.2-117.1000110.5V1581 N1585 Y1586 D1623 M1626F1579-V1581 HydrophobicContact CD1-CG2 3.88Å; F1579-V1581 HydrophobicContact CE1-CG2 3.9Å; F1579-N1585 WeakPolarHBondContact CD2-O 3.44Å; F1579-Y1586 HydrophobicContact CB-CD1 4.06Å; F1579-Y1586 HydrophobicContact CB-CE1 3.73Å; F1579-Y1586 AromaticContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD2 4.02Å; F1579-Y1586 AromaticContact CD2-CE1 3.54Å; F1579-Y1586 HydrophobicContact CD2-CE1 3.54Å; F1579-Y1586 AromaticContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CG 4.09Å; F1579-Y1586 AromaticContact CD2-CZ 3.46Å; F1579-Y1586 VanDerWaalsContact CD2-CZ 3.46Å; F1579-Y1586 HydrophobicContact CE2-CD2 4.39Å; F1579-Y1586 AromaticContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CG-CD1 4.45Å; F1579-Y1586 HydrophobicContact CG-CE1 4.01Å; F1579-D1623 PolarHBondContact N-OD2 3.15Å; F1579-M1626 HydrophobicContact CB-CG 4.43Å; F1579-M1626 WeakPolarHBondContact O-CA 3.49Å
1580D92.7Very high92.4Very high0 Ų044.1 Ų44.10%021%0.205CC..BIsolated β-bridgetrans-109.8105.1170.9-173.3-27.2000109.1P1576 K1582 N1583 Q1584 N1585 N1588 R1628P1576-D1580 HydrophobicContact CB-CB 4.04Å; P1576-D1580 HydrophobicContact CG-CB 4.12Å; D1580-K1582 PolarHBondContact O-N 3.06Å; D1580-K1582 WeakPolarHBondContact OD1-CB 3.47Å; D1580-K1582 PolarHBondContact OD1-N 3.43Å; D1580-N1583 HydrophobicContact CB-CB 4.34Å; D1580-N1583 CarbonylContact O-C 3.57Å; D1580-N1583 PolarHBondContact O-N 3.36Å; D1580-N1583 PolarHBondContact OD1-N 3.13Å; D1580-N1583 PolarHBondContact OD2-ND2 2.68Å; D1580-Q1584 WeakPolarHBondContact O-CA 3.38Å; D1580-Q1584 PolarHBondContact O-N 2.91Å; D1580-N1585 PolarHBondContact N-O 3.46Å; D1580-N1585 PolarHBondContact O-N 3.1Å; D1580-N1588 PolarHBondContact OD2-ND2 2.7Å; D1580-R1628 IonicContact OD2-CZ 2.86Å; D1580-R1628 IonicContact OD2-NE 2.68Å; D1580-R1628 IonicContact OD2-NH2 3.2Å; D1580-R1628 PolarHBondContact OD2-NH2 2.84Å
1581V93Very high92.3Very high56 Ų5645 Ų4534%0.33921%0.21SC..THydrogen-bonded Turntrans-60.8-32.7-178.7166.70000112.4F1579 M1626 E1627F1579-V1581 HydrophobicContact CD1-CG2 3.88Å; F1579-V1581 HydrophobicContact CE1-CG2 3.9Å; V1581-M1626 WeakPolarHBondContact CB-O 3.17Å; V1581-M1626 HydrophobicContact CG2-CB 3.74Å; V1581-M1626 WeakPolarHBondContact CG2-O 3.25Å; V1581-M1626 PolarHBondContact N-O 2.76Å; V1581-E1627 HydrophobicContact CB-CG 4.21Å; V1581-E1627 HydrophobicContact CG1-CG 4.31Å; V1581-E1627 HydrophobicContact CG2-CG 4.21Å
1582K88.7Confident92.2Very high166 Ų16644.1 Ų44.172%0.72220%0.204SC*.THydrogen-bonded Turntrans-68.5-38.8-179.8-178.1-173.5174.5-173.70111.1D1580D1580-K1582 PolarHBondContact O-N 3.06Å; D1580-K1582 WeakPolarHBondContact OD1-CB 3.47Å; D1580-K1582 PolarHBondContact OD1-N 3.43Å
1583N88.4Confident92Very high72 Ų7246 Ų4639%0.38521%0.212SC..THydrogen-bonded Turntrans-100.3-1.9-176.7-63.1-49.7000113.4D1580 N1585D1580-N1583 HydrophobicContact CB-CB 4.34Å; D1580-N1583 CarbonylContact O-C 3.57Å; D1580-N1583 PolarHBondContact O-N 3.36Å; D1580-N1583 PolarHBondContact OD1-N 3.13Å; D1580-N1583 PolarHBondContact OD2-ND2 2.68Å; N1583-N1585 VanDerWaalsContact C-N 3.27Å; N1583-N1585 WeakPolarHBondContact CB-ND2 3.43Å; N1583-N1585 PolarHBondContact O-N 2.92Å; N1583-N1585 PolarHBondContact O-ND2 3.44Å
1584Q91Very high91.7Very high163 Ų16342.4 Ų42.476%0.76220%0.199SC*.THydrogen-bonded Turntrans47.241.9-178-62.4-171-16.700114.3D1580D1580-Q1584 WeakPolarHBondContact O-CA 3.38Å; D1580-Q1584 PolarHBondContact O-N 2.91Å
1585N91.8Very high91.5Very high41 Ų4141.8 Ų41.822%0.21920%0.195CC..BIsolated β-bridgetrans-151.6173.5-177.969.862.4000113F1579 D1580 N1583 K1587F1579-N1585 WeakPolarHBondContact CD2-O 3.44Å; D1580-N1585 PolarHBondContact N-O 3.46Å; D1580-N1585 PolarHBondContact O-N 3.1Å; N1583-N1585 VanDerWaalsContact C-N 3.27Å; N1583-N1585 WeakPolarHBondContact CB-ND2 3.43Å; N1583-N1585 PolarHBondContact O-N 2.92Å; N1583-N1585 PolarHBondContact O-ND2 3.44Å; N1585-K1587 WeakPolarHBondContact OD1-CB 3.46Å; N1585-K1587 VanDerWaalsContact OD1-CG 3.3Å; N1585-K1587 WeakPolarHBondContact OD1-CG 3.08Å; N1585-K1587 PolarHBondContact OD1-N 3.06Å
1586Y91.4Very high91.1Very high78 Ų7843.7 Ų43.731%0.30621%0.205SC..SBendtrans-104.418.4179.9-61.3-87.6000113.3Y1578 F1579 N1588 A1589 Y1603Y1578-Y1586 HydrophobicContact CD1-CD1 4.05Å; Y1578-Y1586 AromaticContact CD1-CE1 3.85Å; Y1578-Y1586 HydrophobicContact CD1-CE1 3.85Å; Y1578-Y1586 AromaticContact CE1-CD1 3.95Å; Y1578-Y1586 HydrophobicContact CE1-CD1 3.95Å; Y1578-Y1586 AromaticContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CE1-CE1 3.58Å; Y1578-Y1586 HydrophobicContact CG-CD1 4.41Å; F1579-Y1586 HydrophobicContact CB-CD1 4.06Å; F1579-Y1586 HydrophobicContact CB-CE1 3.73Å; F1579-Y1586 AromaticContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD1 3.85Å; F1579-Y1586 HydrophobicContact CD2-CD2 4.02Å; F1579-Y1586 AromaticContact CD2-CE1 3.54Å; F1579-Y1586 HydrophobicContact CD2-CE1 3.54Å; F1579-Y1586 AromaticContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CE2 3.72Å; F1579-Y1586 HydrophobicContact CD2-CG 4.09Å; F1579-Y1586 AromaticContact CD2-CZ 3.46Å; F1579-Y1586 VanDerWaalsContact CD2-CZ 3.46Å; F1579-Y1586 HydrophobicContact CE2-CD2 4.39Å; F1579-Y1586 AromaticContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CE2-CE2 3.97Å; F1579-Y1586 HydrophobicContact CG-CD1 4.45Å; F1579-Y1586 HydrophobicContact CG-CE1 4.01Å; Y1586-N1588 PolarHBondContact O-N 3.24Å; Y1586-N1588 VanDerWaalsContact O-N 3.12Å; Y1586-A1589 WeakPolarHBondContact O-CB 2.95Å; Y1586-A1589 PolarHBondContact O-N 3.4Å; Y1586-Y1603 VanDerWaalsContact CB-CG 3.44Å; Y1586-Y1603 AromaticContact CD1-CD2 3.46Å; Y1586-Y1603 HydrophobicContact CD1-CD2 3.46Å; Y1586-Y1603 VanDerWaalsContact CD1-CD2 3.46Å; Y1586-Y1603 AromaticContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CG 4.01Å; Y1586-Y1603 HydrophobicContact CD2-CD1 4.26Å; Y1586-Y1603 AromaticContact CD2-CD2 3.6Å; Y1586-Y1603 HydrophobicContact CD2-CD2 3.6Å; Y1586-Y1603 AromaticContact CD2-CE1 3.9Å; Y1586-Y1603 HydrophobicContact CD2-CE1 3.9Å; Y1586-Y1603 AromaticContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CG 4.12Å; Y1586-Y1603 AromaticContact CD2-CZ 3.35Å; Y1586-Y1603 AromaticContact CE1-CD2 3.86Å; Y1586-Y1603 HydrophobicContact CE1-CD2 3.86Å; Y1586-Y1603 AromaticContact CE1-CE2 4Å; Y1586-Y1603 HydrophobicContact CE1-CE2 4Å; Y1586-Y1603 AromaticContact CE2-CD2 3.99Å; Y1586-Y1603 HydrophobicContact CE2-CD2 3.99Å; Y1586-Y1603 AromaticContact CE2-CE2 3.33Å; Y1586-Y1603 HydrophobicContact CE2-CE2 3.33Å; Y1586-Y1603 AromaticContact CE2-CZ 3.75Å; Y1586-Y1603 HydrophobicContact CG-CD1 4.02Å; Y1586-Y1603 AromaticContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CE1 4.15Å; Y1586-Y1603 AromaticContact CG-CE2 3.47Å; Y1586-Y1603 HydrophobicContact CG-CE2 3.47Å; Y1586-Y1603 VanDerWaalsContact CG-CE2 3.47Å; Y1586-Y1603 AromaticContact CG-CG 3.61Å; Y1586-Y1603 HydrophobicContact CG-CG 3.61Å; Y1586-Y1603 AromaticContact CG-CZ 3.89Å; Y1586-Y1603 AromaticContact CZ-CE2 3.74Å
1587K88.6Confident90.8Very high143 Ų14348.7 Ų48.762%0.62223%0.228SC*.THydrogen-bonded Turntrans-62.1-21.9178.9-67.6-177.4176.2-1740112.8N1585 A1589 K1655N1585-K1587 WeakPolarHBondContact OD1-CB 3.46Å; N1585-K1587 VanDerWaalsContact OD1-CG 3.3Å; N1585-K1587 WeakPolarHBondContact OD1-CG 3.08Å; N1585-K1587 PolarHBondContact OD1-N 3.06Å; K1587-A1589 VanDerWaalsContact C-N 3.35Å; K1587-K1655 WeakPolarHBondContact O-CB 3.21Å; K1587-K1655 WeakPolarHBondContact O-CD 3.46Å
1588N89.7Confident90.4Very high3 Ų352.9 Ų52.92%0.01625%0.25CC..THydrogen-bonded Turntrans-96.415178.1-65-21.1000112.7P1576 V1577 D1580 Y1586 E1656P1576-N1588 HydrophobicContact CB-CB 4.27Å; P1576-N1588 HydrophobicContact CG-CB 3.87Å; V1577-N1588 CarbonylContact C-O 3.51Å; V1577-N1588 VanDerWaalsContact C-O 3.27Å; D1580-N1588 PolarHBondContact OD2-ND2 2.7Å; Y1586-N1588 PolarHBondContact O-N 3.24Å; Y1586-N1588 VanDerWaalsContact O-N 3.12Å; N1588-E1656 PolarHBondContact ND2-OE2 2.9Å; N1588-E1656 VanDerWaalsContact OD1-CB 3.26Å; N1588-E1656 WeakPolarHBondContact OD1-CB 3.14Å; N1588-E1656 VanDerWaalsContact OD1-CD 3.23Å; N1588-E1656 WeakPolarHBondContact OD1-CG 3.4Å; N1588-E1656 PolarHBondContact OD1-OE2 2.61Å; N1588-E1656 VanDerWaalsContact OD1-OE2 3.12Å
1589A93Very high90.2Very high0 Ų055.9 Ų55.90%027%0.269CS..PPolyproline II helixtrans-63.5134.1169.200000111.2V1577 Y1578 Y1586 K1587 I1591V1577-A1589 WeakPolarHBondContact O-CA 3.39Å; Y1578-A1589 HydrophobicContact CD2-CB 3.95Å; Y1578-A1589 HydrophobicContact CE2-CB 4.38Å; Y1578-A1589 PolarHBondContact O-N 2.91Å; Y1586-A1589 WeakPolarHBondContact O-CB 2.95Å; Y1586-A1589 PolarHBondContact O-N 3.4Å; K1587-A1589 VanDerWaalsContact C-N 3.35Å; A1589-I1591 PolarHBondContact O-N 2.79Å
1590V93.5Very high90Very high2 Ų254 Ų541%0.01226%0.262CS..PPolyproline II helixtrans-59.5134.2171.7-1120000110F1570 V1577 T1602 F1637 I1652 Q1653 L1654F1570-V1590 HydrophobicContact CD2-CG2 4.44Å; F1570-V1590 HydrophobicContact CE1-CG1 4.32Å; F1570-V1590 HydrophobicContact CE2-CG2 3.92Å; F1570-V1590 HydrophobicContact CZ-CG1 4.03Å; F1570-V1590 HydrophobicContact CZ-CG2 4.21Å; V1577-V1590 HydrophobicContact CB-CG2 4.31Å; V1577-V1590 WeakPolarHBondContact O-CG2 3.08Å; V1577-V1590 PolarHBondContact O-N 3.27Å; V1590-T1602 WeakPolarHBondContact O-CB 3.34Å; V1590-T1602 WeakPolarHBondContact O-CG2 3.49Å; V1590-T1602 PolarHBondContact O-N 3.49Å; V1590-T1602 PolarHBondContact O-OG1 2.85Å; V1590-F1637 HydrophobicContact CG2-CE1 3.93Å; V1590-F1637 HydrophobicContact CG2-CE2 4.06Å; V1590-F1637 HydrophobicContact CG2-CZ 3.48Å; V1590-F1637 VanDerWaalsContact CG2-CZ 3.48Å; V1590-I1652 HydrophobicContact CB-CG2 4.4Å; V1590-I1652 HydrophobicContact CG1-CG2 3.51Å; V1590-Q1653 WeakPolarHBondContact CG1-O 3.3Å; V1590-L1654 HydrophobicContact CG1-CD2 3.6Å
1591I93.3Very high89.9Confident19 Ų1954.7 Ų54.710%0.09727%0.265CS..EExtended strand (participates in β ladder)trans-88.8145.5162.1-76.9179.8000107.6W1522 A1589 V1599 I1600 D1601 Q1653W1522-I1591 HydrophobicContact CH2-CG2 3.86Å; W1522-I1591 HydrophobicContact CZ2-CG2 4.37Å; A1589-I1591 PolarHBondContact O-N 2.79Å; I1591-V1599 HydrophobicContact CG2-CG1 3.27Å; I1591-I1600 WeakPolarHBondContact CA-O 3.36Å; I1591-D1601 HydrophobicContact CG1-CB 4.09Å; I1591-Q1653 HydrophobicContact CB-CB 3.97Å; I1591-Q1653 HydrophobicContact CG2-CB 4.09Å; I1591-Q1653 PolarHBondContact N-O 2.81Å; I1591-Q1653 PolarHBondContact O-N 2.93Å
1592V91.4Very high89.9Confident1 Ų152 Ų521%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-123.3154.2172.6-62.60000111.3V1599 I1600 T1602 F1639 L1649 I1652V1592-V1599 WeakPolarHBondContact O-CA 2.94Å; V1592-I1600 HydrophobicContact CG2-CB 4.17Å; V1592-I1600 HydrophobicContact CG2-CG2 4.29Å; V1592-I1600 PolarHBondContact N-O 3.1Å; V1592-I1600 PolarHBondContact O-N 2.88Å; V1592-T1602 HydrophobicContact CG1-CG2 4.05Å; V1592-T1602 HydrophobicContact CG2-CG2 4.23Å; V1592-F1639 HydrophobicContact CG1-CE1 4.4Å; V1592-F1639 HydrophobicContact CG1-CZ 3.87Å; V1592-F1639 HydrophobicContact CG2-CE1 3.7Å; V1592-F1639 HydrophobicContact CG2-CZ 4.04Å; V1592-L1649 HydrophobicContact CB-CD2 4.24Å; V1592-L1649 HydrophobicContact CG2-CD2 4.16Å; V1592-I1652 HydrophobicContact CG1-CG1 4.44Å
1593K89.6Confident90Very high45 Ų4549 Ų4920%0.19623%0.234CC..EExtended strand (participates in β ladder)trans-108.6130.4171.6-168.4175.8-178.1-168.40110.2W1522 E1597 N1598 V1599 L1649 V1650 D1651W1522-K1593 HydrophobicContact CH2-CB 3.83Å; W1522-K1593 HydrophobicContact CZ3-CB 3.67Å; K1593-E1597 WeakPolarHBondContact CE-O 3.37Å; K1593-E1597 WeakPolarHBondContact CE-OE1 3.41Å; K1593-E1597 WeakPolarHBondContact CE-OE2 3.47Å; K1593-E1597 IonicContact NZ-OE1 3.71Å; K1593-E1597 PolarHBondContact NZ-OE1 2.84Å; K1593-E1597 IonicContact NZ-OE2 2.82Å; K1593-E1597 PolarHBondContact NZ-OE2 2.96Å; K1593-N1598 WeakPolarHBondContact CA-O 3.44Å; K1593-V1599 HydrophobicContact CG-CG2 4.34Å; K1593-L1649 CarbonylContact O-C 3.54Å; K1593-V1650 HydrophobicContact CB-CB 4.45Å; K1593-V1650 HydrophobicContact CD-CG1 4.35Å; K1593-V1650 HydrophobicContact CG-CB 4.34Å; K1593-V1650 PolarHBondContact O-N 3Å; K1593-D1651 HydrophobicContact CB-CB 4.21Å; K1593-D1651 PolarHBondContact N-O 3.1Å
1594L89.7Confident89.9Confident1 Ų153 Ų531%0.00525%0.25CS..  trans-88.5170.4-178.8-67.3-167.4000113D1596 E1597 N1598 I1600 L1617 L1646 L1649 V1650L1594-D1596 VanDerWaalsContact C-N 3.26Å; L1594-D1596 WeakPolarHBondContact CB-OD1 3.23Å; L1594-D1596 PolarHBondContact O-N 3Å; L1594-E1597 WeakPolarHBondContact O-CA 3.4Å; L1594-E1597 PolarHBondContact O-N 3.38Å; L1594-N1598 HydrophobicContact CB-CB 4.46Å; L1594-N1598 WeakPolarHBondContact CB-O 3.32Å; L1594-N1598 HydrophobicContact CD1-CB 4.45Å; L1594-N1598 PolarHBondContact N-O 3.18Å; L1594-I1600 HydrophobicContact CD1-CD1 3.35Å; L1594-I1600 HydrophobicContact CD1-CG1 4.08Å; L1594-I1600 HydrophobicContact CD2-CD1 4.46Å; L1594-I1600 HydrophobicContact CG-CD1 3.94Å; L1594-I1600 HydrophobicContact CG-CG1 4.25Å; L1594-L1617 HydrophobicContact CD1-CD2 4.49Å; L1594-L1646 WeakPolarHBondContact CB-O 3.35Å; L1594-L1646 HydrophobicContact CD1-CB 3.9Å; L1594-L1646 HydrophobicContact CD1-CD2 3.9Å; L1594-L1646 HydrophobicContact CD1-CG 4.3Å; L1594-L1649 HydrophobicContact CD2-CD2 3.83Å; L1594-V1650 VanDerWaalsContact O-CG2 3.23Å; L1594-V1650 WeakPolarHBondContact O-CG2 3.38Å
1595F87.8Confident89.6Confident11 Ų1148.1 Ų48.15%0.04823%0.229CC..THydrogen-bonded Turntrans-69.3-18.6179.9-166.5-101.5000114.7F1551 I1554 R1555 Q1558 E1597 L1646 P1648 V1650F1551-F1595 HydrophobicContact CD1-CE1 4.48Å; F1551-F1595 HydrophobicContact CD1-CZ 4.05Å; F1551-F1595 AromaticContact CD2-CE2 3.69Å; F1551-F1595 HydrophobicContact CD2-CE2 3.69Å; F1551-F1595 AromaticContact CD2-CZ 3.55Å; F1551-F1595 HydrophobicContact CD2-CZ 3.55Å; F1551-F1595 AromaticContact CE1-CE1 3.89Å; F1551-F1595 HydrophobicContact CE1-CE1 3.89Å; F1551-F1595 AromaticContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE1-CZ 3.8Å; F1551-F1595 HydrophobicContact CE2-CD2 4.08Å; F1551-F1595 AromaticContact CE2-CE1 3.94Å; F1551-F1595 HydrophobicContact CE2-CE1 3.94Å; F1551-F1595 AromaticContact CE2-CE2 3.33Å; F1551-F1595 HydrophobicContact CE2-CE2 3.33Å; F1551-F1595 AromaticContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CE2-CZ 3.26Å; F1551-F1595 HydrophobicContact CG-CE2 4.5Å; F1551-F1595 AromaticContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CG-CZ 3.94Å; F1551-F1595 HydrophobicContact CZ-CD1 4.22Å; F1551-F1595 HydrophobicContact CZ-CD2 4.49Å; F1551-F1595 AromaticContact CZ-CE1 3.58Å; F1551-F1595 HydrophobicContact CZ-CE1 3.58Å; F1551-F1595 AromaticContact CZ-CE2 3.89Å; F1551-F1595 HydrophobicContact CZ-CE2 3.89Å; F1551-F1595 AromaticContact CZ-CZ 3.39Å; F1551-F1595 HydrophobicContact CZ-CZ 3.39Å; I1554-F1595 HydrophobicContact CB-CZ 4.08Å; I1554-F1595 HydrophobicContact CD1-CE2 4.41Å; I1554-F1595 HydrophobicContact CG2-CE1 4.09Å; I1554-F1595 HydrophobicContact CG2-CE2 4.05Å; I1554-F1595 HydrophobicContact CG2-CZ 3.67Å; R1555-F1595 HydrophobicContact CG-CE1 4.26Å; R1555-F1595 VanDerWaalsContact CZ-CE1 3.5Å; Q1558-F1595 VanDerWaalsContact NE2-CE1 3.34Å; F1595-E1597 VanDerWaalsContact C-N 3.25Å; F1595-L1646 PolarHBondContact N-O 2.88Å; F1595-P1648 WeakPolarHBondContact CB-O 3.48Å; F1595-P1648 HydrophobicContact CD2-CG 4.02Å; F1595-P1648 HydrophobicContact CE2-CG 4.44Å; F1595-P1648 PolarHBondContact N-O 3.25Å; F1595-V1650 HydrophobicContact CD2-CG2 4.49Å
1596D85.2Confident89.1Confident45 Ų4551 Ų5124%0.24124%0.237CC..THydrogen-bonded Turntrans-92.417.7169.963.7-8.1000112.5L1594 N1598 L1646L1594-D1596 VanDerWaalsContact C-N 3.26Å; L1594-D1596 WeakPolarHBondContact CB-OD1 3.23Å; L1594-D1596 PolarHBondContact O-N 3Å; D1596-N1598 PolarHBondContact O-N 3.34Å; D1596-N1598 VanDerWaalsContact O-N 3.14Å; D1596-N1598 WeakPolarHBondContact OD1-CB 3.22Å; D1596-N1598 PolarHBondContact OD1-N 2.89Å; D1596-N1598 PolarHBondContact OD1-ND2 3.19Å; D1596-N1598 PolarHBondContact OD2-ND2 3.06Å; D1596-L1646 WeakPolarHBondContact OD2-CD2 3.32Å
1597E84.5Confident88.8Confident112 Ų11254.3 Ų54.352%0.52325%0.249SC..SBendtrans66.3-1.5-178-61.4-84.8100.400115.2K1593 L1594 F1595K1593-E1597 WeakPolarHBondContact CE-O 3.37Å; K1593-E1597 WeakPolarHBondContact CE-OE1 3.41Å; K1593-E1597 WeakPolarHBondContact CE-OE2 3.47Å; K1593-E1597 IonicContact NZ-OE1 3.71Å; K1593-E1597 PolarHBondContact NZ-OE1 2.84Å; K1593-E1597 IonicContact NZ-OE2 2.82Å; K1593-E1597 PolarHBondContact NZ-OE2 2.96Å; L1594-E1597 WeakPolarHBondContact O-CA 3.4Å; L1594-E1597 PolarHBondContact O-N 3.38Å; F1595-E1597 VanDerWaalsContact C-N 3.25Å
1598N86.1Confident88.3Confident90 Ų9049 Ų4948%0.48123%0.229SC..  trans-63.7139.9176.4-75-42.8000111.4K1593 L1594 D1596K1593-N1598 WeakPolarHBondContact CA-O 3.44Å; L1594-N1598 HydrophobicContact CB-CB 4.46Å; L1594-N1598 WeakPolarHBondContact CB-O 3.32Å; L1594-N1598 HydrophobicContact CD1-CB 4.45Å; L1594-N1598 PolarHBondContact N-O 3.18Å; D1596-N1598 PolarHBondContact O-N 3.34Å; D1596-N1598 VanDerWaalsContact O-N 3.14Å; D1596-N1598 WeakPolarHBondContact OD1-CB 3.22Å; D1596-N1598 PolarHBondContact OD1-N 2.89Å; D1596-N1598 PolarHBondContact OD1-ND2 3.19Å; D1596-N1598 PolarHBondContact OD2-ND2 3.06Å
1599V90.5Very high87.6Confident76 Ų7656.4 Ų56.446%0.46126%0.257SS..EExtended strand (participates in β ladder)trans-102.7131.1178.3178.40000108.2W1522 I1591 V1592 K1593W1522-V1599 HydrophobicContact CH2-CG1 4.05Å; W1522-V1599 HydrophobicContact CH2-CG2 4.13Å; W1522-V1599 HydrophobicContact CZ2-CG1 4.23Å; W1522-V1599 HydrophobicContact CZ2-CG2 4.21Å; I1591-V1599 HydrophobicContact CG2-CG1 3.27Å; V1592-V1599 WeakPolarHBondContact O-CA 2.94Å; K1593-V1599 HydrophobicContact CG-CG2 4.34Å
1600I89.5Confident86.3Confident11 Ų1158.9 Ų58.96%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-130127.3-171.6-73.1-162.5000109I1591 V1592 L1594 D1605 L1617 I1619I1591-I1600 WeakPolarHBondContact CA-O 3.36Å; V1592-I1600 HydrophobicContact CG2-CB 4.17Å; V1592-I1600 HydrophobicContact CG2-CG2 4.29Å; V1592-I1600 PolarHBondContact N-O 3.1Å; V1592-I1600 PolarHBondContact O-N 2.88Å; L1594-I1600 HydrophobicContact CD1-CD1 3.35Å; L1594-I1600 HydrophobicContact CD1-CG1 4.08Å; L1594-I1600 HydrophobicContact CD2-CD1 4.46Å; L1594-I1600 HydrophobicContact CG-CD1 3.94Å; L1594-I1600 HydrophobicContact CG-CG1 4.25Å; I1600-D1605 HydrophobicContact CB-CB 4.46Å; I1600-D1605 HydrophobicContact CG2-CB 3.65Å; I1600-L1617 HydrophobicContact CD1-CD2 3.62Å; I1600-L1617 HydrophobicContact CG2-CD2 4.47Å; I1600-I1619 HydrophobicContact CG2-CD1 3.95Å
1601D91.4Very high84.7Confident14 Ų1467.8 Ų67.88%0.07532%0.317CS..EExtended strand (participates in β ladder)trans-82.8121169.7-170.3-65.2000109.4I1591 Y1603 E1604 D1605 K1655I1591-D1601 HydrophobicContact CG1-CB 4.09Å; D1601-Y1603 PolarHBondContact O-N 3.02Å; D1601-Y1603 WeakPolarHBondContact OD1-CB 3.26Å; D1601-Y1603 PolarHBondContact OD1-N 2.86Å; D1601-E1604 HydrophobicContact CB-CB 4.21Å; D1601-E1604 HydrophobicContact CB-CG 4.43Å; D1601-E1604 PolarHBondContact O-N 2.87Å; D1601-E1604 PolarHBondContact OD1-N 3.04Å; D1601-D1605 PolarHBondContact N-OD2 2.71Å; D1601-D1605 WeakPolarHBondContact O-CB 3.4Å; D1601-D1605 PolarHBondContact O-N 2.79Å; D1601-K1655 IonicContact OD2-NZ 3.3Å; D1601-K1655 PolarHBondContact OD2-NZ 3.49Å
1602T91.8Very high83.4Confident0 Ų070.5 Ų70.50%035%0.35CS..THydrogen-bonded Turntrans-66.6-13.1-172.358.30000113.9V1590 V1592 I1619 F1637 F1639V1590-T1602 WeakPolarHBondContact O-CB 3.34Å; V1590-T1602 WeakPolarHBondContact O-CG2 3.49Å; V1590-T1602 PolarHBondContact O-N 3.49Å; V1590-T1602 PolarHBondContact O-OG1 2.85Å; V1592-T1602 HydrophobicContact CG1-CG2 4.05Å; V1592-T1602 HydrophobicContact CG2-CG2 4.23Å; T1602-I1619 HydrophobicContact CG2-CD1 4.36Å; T1602-F1637 HydrophobicContact CG2-CD1 4.23Å; T1602-F1637 HydrophobicContact CG2-CE1 4.21Å; T1602-F1639 HydrophobicContact CG2-CE1 4.19Å; T1602-F1639 HydrophobicContact CG2-CZ 3.91Å
1603Y91.1Very high82.3Confident102 Ų10272 Ų7240%0.437%0.366SS..THydrogen-bonded Turntrans-93.2-54.7171.3173.8-105.6000112.1Y1586 D1601 R1606Y1586-Y1603 VanDerWaalsContact CB-CG 3.44Å; Y1586-Y1603 AromaticContact CD1-CD2 3.46Å; Y1586-Y1603 HydrophobicContact CD1-CD2 3.46Å; Y1586-Y1603 VanDerWaalsContact CD1-CD2 3.46Å; Y1586-Y1603 AromaticContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CE2 3.88Å; Y1586-Y1603 HydrophobicContact CD1-CG 4.01Å; Y1586-Y1603 HydrophobicContact CD2-CD1 4.26Å; Y1586-Y1603 AromaticContact CD2-CD2 3.6Å; Y1586-Y1603 HydrophobicContact CD2-CD2 3.6Å; Y1586-Y1603 AromaticContact CD2-CE1 3.9Å; Y1586-Y1603 HydrophobicContact CD2-CE1 3.9Å; Y1586-Y1603 AromaticContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CE2 3.18Å; Y1586-Y1603 HydrophobicContact CD2-CG 4.12Å; Y1586-Y1603 AromaticContact CD2-CZ 3.35Å; Y1586-Y1603 AromaticContact CE1-CD2 3.86Å; Y1586-Y1603 HydrophobicContact CE1-CD2 3.86Å; Y1586-Y1603 AromaticContact CE1-CE2 4Å; Y1586-Y1603 HydrophobicContact CE1-CE2 4Å; Y1586-Y1603 AromaticContact CE2-CD2 3.99Å; Y1586-Y1603 HydrophobicContact CE2-CD2 3.99Å; Y1586-Y1603 AromaticContact CE2-CE2 3.33Å; Y1586-Y1603 HydrophobicContact CE2-CE2 3.33Å; Y1586-Y1603 AromaticContact CE2-CZ 3.75Å; Y1586-Y1603 HydrophobicContact CG-CD1 4.02Å; Y1586-Y1603 AromaticContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CD2 3.31Å; Y1586-Y1603 HydrophobicContact CG-CE1 4.15Å; Y1586-Y1603 AromaticContact CG-CE2 3.47Å; Y1586-Y1603 HydrophobicContact CG-CE2 3.47Å; Y1586-Y1603 VanDerWaalsContact CG-CE2 3.47Å; Y1586-Y1603 AromaticContact CG-CG 3.61Å; Y1586-Y1603 HydrophobicContact CG-CG 3.61Å; Y1586-Y1603 AromaticContact CG-CZ 3.89Å; Y1586-Y1603 AromaticContact CZ-CE2 3.74Å; D1601-Y1603 PolarHBondContact O-N 3.02Å; D1601-Y1603 WeakPolarHBondContact OD1-CB 3.26Å; D1601-Y1603 PolarHBondContact OD1-N 2.86Å; Y1603-R1606 WeakPolarHBondContact O-CB 3.27Å
1604E86.7Confident81.5Confident156 Ų15671.6 Ų71.673%0.72937%0.374SS*.THydrogen-bonded Turntrans-69.7-44.4-174-57.4-170.6157.500111.8D1601 R1606D1601-E1604 HydrophobicContact CB-CB 4.21Å; D1601-E1604 HydrophobicContact CB-CG 4.43Å; D1601-E1604 PolarHBondContact O-N 2.87Å; D1601-E1604 PolarHBondContact OD1-N 3.04Å; E1604-R1606 VanDerWaalsContact C-N 3.34Å; E1604-R1606 PolarHBondContact O-N 3.2Å
1605D83.9Confident81Confident60 Ų6073.6 Ų73.632%0.32139%0.385SS..THydrogen-bonded Turntrans-94.618-176.4-67.9-55.8000113.4I1600 D1601 R1607 T1608I1600-D1605 HydrophobicContact CB-CB 4.46Å; I1600-D1605 HydrophobicContact CG2-CB 3.65Å; D1601-D1605 PolarHBondContact N-OD2 2.71Å; D1601-D1605 WeakPolarHBondContact O-CB 3.4Å; D1601-D1605 PolarHBondContact O-N 2.79Å; D1605-R1607 PolarHBondContact O-N 3.07Å; D1605-T1608 PolarHBondContact O-N 2.89Å; D1605-T1608 PolarHBondContact O-OG1 2.96Å
1606R83.1Confident81Confident103 Ų10374.8 Ų74.839%0.38939%0.391SS..THydrogen-bonded Turntrans-48.6-27.6-175.3-168.5-177.1174.3178.1-2.3114Y1603 E1604 I1619Y1603-R1606 WeakPolarHBondContact O-CB 3.27Å; E1604-R1606 VanDerWaalsContact C-N 3.34Å; E1604-R1606 PolarHBondContact O-N 3.2Å; R1606-I1619 HydrophobicContact CG-CB 4.06Å; R1606-I1619 VanDerWaalsContact CG-O 3.22Å; R1606-I1619 WeakPolarHBondContact CG-O 3.21Å; R1606-I1619 PolarHBondContact NE-O 3.45Å; R1606-I1619 PolarHBondContact O-N 3.13Å
1607R83.6Confident81.3Confident147 Ų14772.6 Ų72.656%0.55538%0.379SS*.EExtended strand (participates in β ladder)trans-133.376.7172.4-77-177.2170.5173.2-1.7112.2D1605 R1609 I1615 L1617 D1618D1605-R1607 PolarHBondContact O-N 3.07Å; R1607-R1609 PolarHBondContact O-N 3.26Å; R1607-I1615 HydrophobicContact CG-CD1 4.42Å; R1607-L1617 WeakPolarHBondContact CA-O 3.46Å; R1607-D1618 WeakPolarHBondContact CG-OD1 3.44Å; R1607-D1618 IonicContact CZ-OD1 3.53Å; R1607-D1618 IonicContact NE-OD1 2.74Å; R1607-D1618 PolarHBondContact NE-OD1 2.95Å; R1607-D1618 IonicContact NH2-OD1 3.41Å; R1607-D1618 PolarHBondContact NH2-OD1 3.28Å; R1607-D1618 IonicContact NH2-OD2 3.63Å
1608T78.8Confident81.7Confident32 Ų3268.7 Ų68.720%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-64.7128.8173.7-15.90000110.2D1605 M1616 L1617D1605-T1608 PolarHBondContact O-N 2.89Å; D1605-T1608 PolarHBondContact O-OG1 2.96Å; T1608-M1616 HydrophobicContact CG2-CE 4.49Å; T1608-M1616 PolarHBondContact O-N 3.06Å; T1608-L1617 PolarHBondContact N-O 2.94Å; T1608-L1617 PolarHBondContact O-N 3.4Å
1609R74.9Confident82.1Confident158 Ų15864.4 Ų64.460%0.59634%0.339SS*.EExtended strand (participates in β ladder)trans-114.2154.6-176.3-67.3178.8-176.6-124.516.7112.7R1607 G1613 G1614 I1615R1607-R1609 PolarHBondContact O-N 3.26Å; R1609-G1613 WeakPolarHBondContact CD-O 3.32Å; R1609-G1613 PolarHBondContact NH1-O 3.21Å; R1609-G1614 CarbonylContact C-O 3.6Å; R1609-G1614 VanDerWaalsContact CA-O 3.32Å; R1609-G1614 WeakPolarHBondContact CA-O 3.39Å; R1609-I1615 HydrophobicContact CG-CG1 4.36Å
1610T65Low82.3Confident51 Ų5164 Ų6431%0.31333%0.331SS..  trans-69.5165.4163.9570000111G1612 G1613 G1614 M1616T1610-G1612 PolarHBondContact O-N 3.33Å; T1610-G1612 PolarHBondContact OG1-N 3.05Å; T1610-G1613 WeakPolarHBondContact O-CA 3.49Å; T1610-G1613 PolarHBondContact O-N 3.3Å; T1610-G1614 PolarHBondContact N-O 2.98Å; T1610-G1614 PolarHBondContact OG1-N 3.12Å; T1610-G1614 VanDerWaalsContact OG1-N 3.11Å; T1610-G1614 PolarHBondContact OG1-O 2.98Å; T1610-M1616 HydrophobicContact CG2-CG 3.36Å; T1610-M1616 HydrophobicContact CG2-SD 3.59Å; T1610-M1616 VanDerWaalsContact CG2-SD 3.59Å
1611I60.6Low82.5Confident189 Ų18964.9 Ų64.997%0.96934%0.337SS*.THydrogen-bonded Turntrans-52.7-32.5167.9-57171.7000111.5G1613I1611-G1613 VanDerWaalsContact C-N 3.27Å; I1611-G1613 PolarHBondContact O-N 3.11Å
1612G65.3Low82.8Confident77 Ų7770.2 Ų70.279%0.79436%0.359SS*.THydrogen-bonded Turntrans-82.514.4173.100000115.5T1610 G1614T1610-G1612 PolarHBondContact O-N 3.33Å; T1610-G1612 PolarHBondContact OG1-N 3.05Å; G1612-G1614 VanDerWaalsContact C-N 3.25Å; G1612-G1614 PolarHBondContact O-N 3.33Å
1613G68.1Low82.9Confident33 Ų3371.4 Ų71.434%0.3437%0.366SS..SBendtrans75.9-2.8175.600000116.6R1609 T1610 I1611R1609-G1613 WeakPolarHBondContact CD-O 3.32Å; R1609-G1613 PolarHBondContact NH1-O 3.21Å; T1610-G1613 WeakPolarHBondContact O-CA 3.49Å; T1610-G1613 PolarHBondContact O-N 3.3Å; I1611-G1613 VanDerWaalsContact C-N 3.27Å; I1611-G1613 PolarHBondContact O-N 3.11Å
1614G73.9Confident83.2Confident36 Ų3670.9 Ų70.937%0.37137%0.367SS..  trans-78.1133.9179.300000112.4R1609 T1610 G1612 M1616R1609-G1614 CarbonylContact C-O 3.6Å; R1609-G1614 VanDerWaalsContact CA-O 3.32Å; R1609-G1614 WeakPolarHBondContact CA-O 3.39Å; T1610-G1614 PolarHBondContact N-O 2.98Å; T1610-G1614 PolarHBondContact OG1-N 3.12Å; T1610-G1614 VanDerWaalsContact OG1-N 3.11Å; T1610-G1614 PolarHBondContact OG1-O 2.98Å; G1612-G1614 VanDerWaalsContact C-N 3.25Å; G1612-G1614 PolarHBondContact O-N 3.33Å; G1614-M1616 PolarHBondContact O-N 2.8Å
1615I79.3Confident83.5Confident43 Ų4363.4 Ų63.422%0.22133%0.332CS..EExtended strand (participates in β ladder)trans-66.4119.9-178.2-57.6170.7000110R1607 R1609 L1617 D1618 R1642R1607-I1615 HydrophobicContact CG-CD1 4.42Å; R1609-I1615 HydrophobicContact CG-CG1 4.36Å; I1615-L1617 WeakPolarHBondContact CG2-O 3.46Å; I1615-D1618 HydrophobicContact CG2-CB 4.06Å; I1615-R1642 WeakPolarHBondContact O-CD 3.24Å
1616M87.8Confident84Confident35 Ų3564.2 Ų64.217%0.17234%0.335CS..EExtended strand (participates in β ladder)trans-84.9-37173.9-63.9-166.7-59.900111.8T1608 T1610 G1614 A1641 R1642 K1643 L1646T1608-M1616 HydrophobicContact CG2-CE 4.49Å; T1608-M1616 PolarHBondContact O-N 3.06Å; T1610-M1616 HydrophobicContact CG2-CG 3.36Å; T1610-M1616 HydrophobicContact CG2-SD 3.59Å; T1610-M1616 VanDerWaalsContact CG2-SD 3.59Å; G1614-M1616 PolarHBondContact O-N 2.8Å; M1616-A1641 CarbonylContact O-C 3.51Å; M1616-A1641 WeakPolarHBondContact O-CA 3.49Å; M1616-R1642 PolarHBondContact O-N 3.1Å; M1616-K1643 HydrophobicContact CG-CD 4.18Å; M1616-K1643 HydrophobicContact CG-CG 4.4Å; M1616-K1643 HydrophobicContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CE 3.5Å; M1616-K1643 HydrophobicContact SD-CG 4.43Å; M1616-K1643 PolarHBondContact SD-NZ 3.37Å; M1616-L1646 HydrophobicContact CB-CD1 4.17Å
1617L91.1Very high84.3Confident0 Ų065.8 Ų65.80%035%0.347CS..EExtended strand (participates in β ladder)trans-139.4128.2179.7-178.469000108.8L1594 I1600 R1607 T1608 I1615 I1619 F1639 V1640 A1641 L1646L1594-L1617 HydrophobicContact CD1-CD2 4.49Å; I1600-L1617 HydrophobicContact CD1-CD2 3.62Å; I1600-L1617 HydrophobicContact CG2-CD2 4.47Å; R1607-L1617 WeakPolarHBondContact CA-O 3.46Å; T1608-L1617 PolarHBondContact N-O 2.94Å; T1608-L1617 PolarHBondContact O-N 3.4Å; I1615-L1617 WeakPolarHBondContact CG2-O 3.46Å; L1617-I1619 HydrophobicContact CD2-CD1 4.14Å; L1617-I1619 HydrophobicContact CD2-CG1 4.15Å; L1617-I1619 HydrophobicContact CG-CG1 4.1Å; L1617-F1639 HydrophobicContact CD1-CB 4.31Å; L1617-F1639 HydrophobicContact CD1-CD1 4.42Å; L1617-F1639 HydrophobicContact CD2-CD1 4.5Å; L1617-V1640 WeakPolarHBondContact CA-O 3.31Å; L1617-A1641 HydrophobicContact CD1-CB 3.97Å; L1617-L1646 HydrophobicContact CB-CD1 4.06Å
1618D93.4Very high84.6Confident29 Ų2961.8 Ų61.816%0.15533%0.331CS..EExtended strand (participates in β ladder)trans-115.8123171-167.933.8000108R1607 I1615 V1640R1607-D1618 WeakPolarHBondContact CG-OD1 3.44Å; R1607-D1618 IonicContact CZ-OD1 3.53Å; R1607-D1618 IonicContact NE-OD1 2.74Å; R1607-D1618 PolarHBondContact NE-OD1 2.95Å; R1607-D1618 IonicContact NH2-OD1 3.41Å; R1607-D1618 PolarHBondContact NH2-OD1 3.28Å; R1607-D1618 IonicContact NH2-OD2 3.63Å; I1615-D1618 HydrophobicContact CG2-CB 4.06Å; D1618-V1640 HydrophobicContact CB-CB 4.47Å; D1618-V1640 PolarHBondContact N-O 3.13Å; D1618-V1640 PolarHBondContact O-N 2.77Å
1619I94.5Very high85.1Confident0 Ų062.4 Ų62.40%034%0.337CS..EExtended strand (participates in β ladder)trans-105.1113.4179.6-51.4175.9000108.4I1600 T1602 R1606 L1617 V1621 F1637 E1638 F1639I1600-I1619 HydrophobicContact CG2-CD1 3.95Å; T1602-I1619 HydrophobicContact CG2-CD1 4.36Å; R1606-I1619 HydrophobicContact CG-CB 4.06Å; R1606-I1619 VanDerWaalsContact CG-O 3.22Å; R1606-I1619 WeakPolarHBondContact CG-O 3.21Å; R1606-I1619 PolarHBondContact NE-O 3.45Å; R1606-I1619 PolarHBondContact O-N 3.13Å; L1617-I1619 HydrophobicContact CD2-CD1 4.14Å; L1617-I1619 HydrophobicContact CD2-CG1 4.15Å; L1617-I1619 HydrophobicContact CG-CG1 4.1Å; I1619-V1621 HydrophobicContact CG2-CG2 4.04Å; I1619-F1637 HydrophobicContact CG2-CD1 4.34Å; I1619-E1638 WeakPolarHBondContact CA-O 3.07Å; I1619-F1639 HydrophobicContact CD1-CD1 4.01Å; I1619-F1639 HydrophobicContact CD1-CE1 3.63Å; I1619-F1639 HydrophobicContact CG1-CD1 3.81Å; I1619-F1639 HydrophobicContact CG1-CE1 3.89Å; I1619-F1639 HydrophobicContact CG2-CD1 4.3Å; I1619-F1639 HydrophobicContact CG2-CE1 4.01Å; I1619-F1639 HydrophobicContact CG2-CZ 4.21Å
1620K94.4Very high85.9Confident67 Ų6763.6 Ų63.629%0.29135%0.346SS..EExtended strand (participates in β ladder)trans-97132.1172.9-40.9-167.8-153.4123.60108.8F1637 E1638K1620-F1637 CarbonylContact O-C 3.49Å; K1620-F1637 WeakPolarHBondContact O-CA 3.06Å; K1620-E1638 HydrophobicContact CB-CB 4.22Å; K1620-E1638 WeakPolarHBondContact CD-OE2 3.1Å; K1620-E1638 PolarHBondContact N-O 3.46Å; K1620-E1638 IonicContact NZ-OE1 3.79Å; K1620-E1638 PolarHBondContact NZ-OE1 3.47Å; K1620-E1638 IonicContact NZ-OE2 3.6Å; K1620-E1638 PolarHBondContact NZ-OE2 3.38Å; K1620-E1638 PolarHBondContact O-N 2.84Å
1621V94.8Very high87.1Confident30 Ų3068.5 Ų68.518%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-124.9128.9-177.1-170.10000108.8Y1578 I1619 D1623 V1636 F1637Y1578-V1621 HydrophobicContact CD1-CB 4.43Å; Y1578-V1621 HydrophobicContact CD1-CG1 3.85Å; Y1578-V1621 HydrophobicContact CD2-CG1 4.33Å; Y1578-V1621 HydrophobicContact CD2-CG2 4.49Å; Y1578-V1621 HydrophobicContact CE1-CB 4.2Å; Y1578-V1621 HydrophobicContact CE1-CG1 4.13Å; Y1578-V1621 HydrophobicContact CE1-CG2 4.33Å; Y1578-V1621 HydrophobicContact CE2-CG2 4.06Å; Y1578-V1621 HydrophobicContact CG-CG1 3.95Å; I1619-V1621 HydrophobicContact CG2-CG2 4.04Å; V1621-D1623 HydrophobicContact CG1-CB 4.38Å; V1621-V1636 CarbonylContact C-O 3.53Å; V1621-V1636 WeakPolarHBondContact CA-O 3.24Å; V1621-F1637 HydrophobicContact CB-CD1 4.38Å; V1621-F1637 HydrophobicContact CB-CE1 4.47Å; V1621-F1637 HydrophobicContact CG1-CD1 4Å; V1621-F1637 HydrophobicContact CG1-CD2 4.4Å; V1621-F1637 HydrophobicContact CG1-CE1 3.8Å; V1621-F1637 HydrophobicContact CG1-CE2 4.21Å; V1621-F1637 HydrophobicContact CG1-CG 4.31Å; V1621-F1637 HydrophobicContact CG1-CZ 3.92Å; V1621-F1637 HydrophobicContact CG2-CD1 3.59Å; V1621-F1637 HydrophobicContact CG2-CE1 3.8Å; V1621-F1637 HydrophobicContact CG2-CG 4.36Å
1622K96.2Very high88.7Confident126 Ų12666.2 Ų66.255%0.54835%0.349SS..EExtended strand (participates in β ladder)trans-112.1100.9164.5-171.9-160.5-179-146.10107E1624 S1635 V1636K1622-E1624 WeakPolarHBondContact CE-OE1 3.4Å; K1622-E1624 IonicContact NZ-OE1 3.14Å; K1622-E1624 PolarHBondContact NZ-OE1 2.72Å; K1622-S1635 CarbonylContact O-C 2.88Å; K1622-S1635 VanDerWaalsContact O-CA 3.27Å; K1622-S1635 WeakPolarHBondContact O-CA 3.45Å; K1622-V1636 HydrophobicContact CB-CB 4.42Å; K1622-V1636 PolarHBondContact N-O 3.16Å; K1622-V1636 PolarHBondContact O-N 2.95Å
1623D95.3Very high90.2Very high26 Ų2663.7 Ų63.714%0.13932%0.321CS..  trans-93.1126.5-175.8-171.2-1.9000110.8Y1578 F1579 V1621 C1625 M1626 S1635Y1578-D1623 WeakPolarHBondContact CB-OD2 3.2Å; Y1578-D1623 HydrophobicContact CD1-CB 4.39Å; F1579-D1623 PolarHBondContact N-OD2 3.15Å; V1621-D1623 HydrophobicContact CG1-CB 4.38Å; D1623-C1625 WeakPolarHBondContact OD1-CA 3.23Å; D1623-C1625 PolarHBondContact OD1-N 2.63Å; D1623-M1626 HydrophobicContact CB-CG 4.01Å; D1623-M1626 WeakPolarHBondContact OD1-CG 3.48Å; D1623-M1626 PolarHBondContact OD1-N 3.49Å; D1623-M1626 VanDerWaalsContact OD2-CG 3.22Å; D1623-M1626 WeakPolarHBondContact OD2-CG 3.35Å; D1623-S1635 PolarHBondContact OD1-OG 2.84Å
1624E95.5Very high91.5Very high90 Ų9063.6 Ų63.642%0.42132%0.315SS..  trans-122.9-1.8167.9-53.6178179.400111.3K1622 M1626 A1633 S1634 S1635K1622-E1624 WeakPolarHBondContact CE-OE1 3.4Å; K1622-E1624 IonicContact NZ-OE1 3.14Å; K1622-E1624 PolarHBondContact NZ-OE1 2.72Å; E1624-M1626 VanDerWaalsContact C-N 3.28Å; E1624-A1633 HydrophobicContact CB-CB 4.24Å; E1624-A1633 WeakPolarHBondContact O-CB 3.28Å; E1624-S1634 VanDerWaalsContact CB-O 3.29Å; E1624-S1634 WeakPolarHBondContact CB-O 3.42Å; E1624-S1634 WeakPolarHBondContact CG-O 3.39Å; E1624-S1635 PolarHBondContact N-OG 3.14Å
1625C94.6Very high92.6Very high0 Ų061.9 Ų61.90%030%0.297CS..  trans-91.411.4-179.8-67.20000113C1572 P1576 V1577 D1623 E1627 S1635C1572-C1625 HydrophobicContact CB-CB 3.9Å; C1572-C1625 WeakPolarHBondContact CB-SG 3.43Å; C1572-C1625 VanDerWaalsContact SG-CA 3.5Å; C1572-C1625 WeakPolarHBondContact SG-CB 3.39Å; C1572-C1625 CovalentContact SG-SG 2.02Å; C1572-C1625 PolarHBondContact SG-SG 3.49Å; P1576-C1625 WeakPolarHBondContact CA-O 3.46Å; V1577-C1625 HydrophobicContact CG2-CB 3.38Å; V1577-C1625 VanDerWaalsContact CG2-SG 3.57Å; D1623-C1625 WeakPolarHBondContact OD1-CA 3.23Å; D1623-C1625 PolarHBondContact OD1-N 2.63Å; C1625-E1627 PolarHBondContact O-N 2.97Å; C1625-S1635 VanDerWaalsContact CB-OG 3.26Å; C1625-S1635 WeakPolarHBondContact CB-OG 3.23Å; C1625-S1635 PolarHBondContact N-OG 3.29Å; C1625-S1635 VanDerWaalsContact N-OG 3.11Å; C1625-S1635 PolarHBondContact SG-OG 3.17Å
1626M93.4Very high93.4Very high77 Ų7762.1 Ų62.138%0.37930%0.3SS..  trans-55.3-33.9-175.6-64.8-176.8-7200114.2F1579 V1581 D1623 E1624F1579-M1626 HydrophobicContact CB-CG 4.43Å; F1579-M1626 WeakPolarHBondContact O-CA 3.49Å; V1581-M1626 WeakPolarHBondContact CB-O 3.17Å; V1581-M1626 HydrophobicContact CG2-CB 3.74Å; V1581-M1626 WeakPolarHBondContact CG2-O 3.25Å; V1581-M1626 PolarHBondContact N-O 2.76Å; D1623-M1626 HydrophobicContact CB-CG 4.01Å; D1623-M1626 WeakPolarHBondContact OD1-CG 3.48Å; D1623-M1626 PolarHBondContact OD1-N 3.49Å; D1623-M1626 VanDerWaalsContact OD2-CG 3.22Å; D1623-M1626 WeakPolarHBondContact OD2-CG 3.35Å; E1624-M1626 VanDerWaalsContact C-N 3.28Å
1627E90.3Very high93.8Very high136 Ų13660.4 Ų60.464%0.63629%0.292SS*.SBendtrans-106.6139.3-179.7-67.9-172.4171.800112V1581 C1625 S1629V1581-E1627 HydrophobicContact CB-CG 4.21Å; V1581-E1627 HydrophobicContact CG1-CG 4.31Å; V1581-E1627 HydrophobicContact CG2-CG 4.21Å; C1625-E1627 PolarHBondContact O-N 2.97Å; E1627-S1629 PolarHBondContact O-N 2.92Å
1628R89.9Confident94.1Very high63 Ų6362.8 Ų62.824%0.23830%0.303CS..  trans-7376.2171.8-67.9-172.3-175.9-131.60.8110.6N1574 D1580 E1659N1574-R1628 PolarHBondContact OD1-O 3.11Å; D1580-R1628 IonicContact OD2-CZ 2.86Å; D1580-R1628 IonicContact OD2-NE 2.68Å; D1580-R1628 IonicContact OD2-NH2 3.2Å; D1580-R1628 PolarHBondContact OD2-NH2 2.84Å; R1628-E1659 IonicContact NH1-OE2 3.94Å; R1628-E1659 PolarHBondContact NH1-OE2 3.39Å
1629S89.6Confident94.2Very high44 Ų4461.4 Ų61.431%0.30830%0.295SS..  trans-98.4147.4-178.7-174.60000112.4N1574 E1627 Q1631N1574-S1629 WeakPolarHBondContact CA-O 2.98Å; N1574-S1629 PolarHBondContact N-O 3.25Å; E1627-S1629 PolarHBondContact O-N 2.92Å; S1629-Q1631 PolarHBondContact O-N 3.16Å; S1629-Q1631 PolarHBondContact OG-N 3.08Å; S1629-Q1631 VanDerWaalsContact OG-N 3.07Å
1630K89.8Confident94.2Very high184 Ų18462.2 Ų62.280%0.830%0.301SS*.SBendtrans-73.8-12.5167.1-66.8-173.2179.6-177.60112.7R1573R1573-K1630 VanDerWaalsContact CD-O 3.28Å; R1573-K1630 WeakPolarHBondContact CD-O 3.48Å; R1573-K1630 WeakPolarHBondContact CG-O 3.37Å
1631Q92Very high94.2Very high153 Ų15359 Ų5972%0.71529%0.287SS*.SBendtrans-80150.3171.3-62.6-172.3-400110.3S1629S1629-Q1631 PolarHBondContact O-N 3.16Å; S1629-Q1631 PolarHBondContact OG-N 3.08Å; S1629-Q1631 VanDerWaalsContact OG-N 3.07Å
1632K93.8Very high94Very high142 Ų14266.3 Ų66.362%0.61731%0.311SS*.  trans-74.3126.7173.3162.8172.6159.61590109.3T1571 C1572T1571-K1632 HydrophobicContact CG2-CD 3.55Å; T1571-K1632 HydrophobicContact CG2-CG 3.63Å; C1572-K1632 WeakPolarHBondContact O-CA 3.2Å
1633A95.6Very high93.8Very high24 Ų2464.5 Ų64.520%0.19830%0.303CS..EExtended strand (participates in β ladder)trans-124.3172.1169.900000110.7C1572 E1624C1572-A1633 PolarHBondContact N-O 2.88Å; C1572-A1633 PolarHBondContact O-N 3.1Å; C1572-A1633 VanDerWaalsContact O-N 3.13Å; C1572-A1633 PolarHBondContact SG-O 3.33Å; C1572-A1633 VanDerWaalsContact SG-O 3.38Å; E1624-A1633 HydrophobicContact CB-CB 4.24Å; E1624-A1633 WeakPolarHBondContact O-CB 3.28Å
1634S96.5Very high93.6Very high31 Ų3163.9 Ų63.922%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-142.8127.1-176.8-65.60000113.5F1570 E1624F1570-S1634 CarbonylContact O-C 3.59Å; F1570-S1634 WeakPolarHBondContact O-CA 3.24Å; E1624-S1634 VanDerWaalsContact CB-O 3.29Å; E1624-S1634 WeakPolarHBondContact CB-O 3.42Å; E1624-S1634 WeakPolarHBondContact CG-O 3.39Å
1635S96.4Very high93.3Very high0 Ų062.2 Ų62.20%029%0.294CS..EExtended strand (participates in β ladder)trans-110.2130.7176.8-600000111.5T1569 F1570 K1622 D1623 E1624 C1625T1569-S1635 CarbonylContact C-O 3.27Å; T1569-S1635 WeakPolarHBondContact CA-O 3.38Å; F1570-S1635 PolarHBondContact N-O 3.23Å; F1570-S1635 PolarHBondContact O-N 3.42Å; K1622-S1635 CarbonylContact O-C 2.88Å; K1622-S1635 VanDerWaalsContact O-CA 3.27Å; K1622-S1635 WeakPolarHBondContact O-CA 3.45Å; D1623-S1635 PolarHBondContact OD1-OG 2.84Å; E1624-S1635 PolarHBondContact N-OG 3.14Å; C1625-S1635 VanDerWaalsContact CB-OG 3.26Å; C1625-S1635 WeakPolarHBondContact CB-OG 3.23Å; C1625-S1635 PolarHBondContact N-OG 3.29Å; C1625-S1635 VanDerWaalsContact N-OG 3.11Å; C1625-S1635 PolarHBondContact SG-OG 3.17Å
1636V97.1Very high93.2Very high47 Ų4762.8 Ų62.829%0.28530%0.297SS..EExtended strand (participates in β ladder)trans-108.3128.2-176.2-172.80000109.7I1567 T1569 V1621 K1622I1567-V1636 HydrophobicContact CG2-CG1 3.69Å; T1569-V1636 HydrophobicContact CG2-CG2 4.04Å; V1621-V1636 CarbonylContact C-O 3.53Å; V1621-V1636 WeakPolarHBondContact CA-O 3.24Å; K1622-V1636 HydrophobicContact CB-CB 4.42Å; K1622-V1636 PolarHBondContact N-O 3.16Å; K1622-V1636 PolarHBondContact O-N 2.95Å
1637F96.3Very high93.1Very high0 Ų059.1 Ų59.10%028%0.279CS..EExtended strand (participates in β ladder)trans-116.2125.7174.5-64.5-113.7000108.8I1567 I1568 F1570 Y1578 V1590 T1602 I1619 K1620 V1621 F1639I1567-F1637 WeakPolarHBondContact CA-O 3.42Å; I1568-F1637 HydrophobicContact CG2-CB 3.84Å; I1568-F1637 PolarHBondContact N-O 2.65Å; I1568-F1637 PolarHBondContact O-N 2.83Å; F1570-F1637 AromaticContact CD2-CD2 3.66Å; F1570-F1637 HydrophobicContact CD2-CD2 3.66Å; F1570-F1637 AromaticContact CD2-CE2 3.59Å; F1570-F1637 HydrophobicContact CD2-CE2 3.59Å; F1570-F1637 AromaticContact CE2-CD2 3.91Å; F1570-F1637 HydrophobicContact CE2-CD2 3.91Å; F1570-F1637 AromaticContact CE2-CE2 3.98Å; F1570-F1637 HydrophobicContact CE2-CE2 3.98Å; Y1578-F1637 AromaticContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CE1 3.79Å; Y1578-F1637 HydrophobicContact CD2-CZ 4.04Å; Y1578-F1637 HydrophobicContact CE2-CE1 4.33Å; Y1578-F1637 HydrophobicContact CG-CE1 4.37Å; Y1578-F1637 HydrophobicContact CG-CZ 4.26Å; V1590-F1637 HydrophobicContact CG2-CE1 3.93Å; V1590-F1637 HydrophobicContact CG2-CE2 4.06Å; V1590-F1637 HydrophobicContact CG2-CZ 3.48Å; V1590-F1637 VanDerWaalsContact CG2-CZ 3.48Å; T1602-F1637 HydrophobicContact CG2-CD1 4.23Å; T1602-F1637 HydrophobicContact CG2-CE1 4.21Å; I1619-F1637 HydrophobicContact CG2-CD1 4.34Å; K1620-F1637 CarbonylContact O-C 3.49Å; K1620-F1637 WeakPolarHBondContact O-CA 3.06Å; V1621-F1637 HydrophobicContact CB-CD1 4.38Å; V1621-F1637 HydrophobicContact CB-CE1 4.47Å; V1621-F1637 HydrophobicContact CG1-CD1 4Å; V1621-F1637 HydrophobicContact CG1-CD2 4.4Å; V1621-F1637 HydrophobicContact CG1-CE1 3.8Å; V1621-F1637 HydrophobicContact CG1-CE2 4.21Å; V1621-F1637 HydrophobicContact CG1-CG 4.31Å; V1621-F1637 HydrophobicContact CG1-CZ 3.92Å; V1621-F1637 HydrophobicContact CG2-CD1 3.59Å; V1621-F1637 HydrophobicContact CG2-CE1 3.8Å; V1621-F1637 HydrophobicContact CG2-CG 4.36Å; F1637-F1639 HydrophobicContact CB-CD2 4.34Å; F1637-F1639 HydrophobicContact CB-CE2 3.62Å; F1637-F1639 HydrophobicContact CB-CZ 4.28Å
1638E96.2Very high93.1Very high49 Ų4952.8 Ų52.823%0.22925%0.25CC..EExtended strand (participates in β ladder)trans-112.5116.1176.4-176.2-160160.900108.3I1567 I1619 K1620 V1640I1567-E1638 HydrophobicContact CG1-CB 4.35Å; I1567-E1638 HydrophobicContact CG1-CG 4.08Å; I1619-E1638 WeakPolarHBondContact CA-O 3.07Å; K1620-E1638 HydrophobicContact CB-CB 4.22Å; K1620-E1638 WeakPolarHBondContact CD-OE2 3.1Å; K1620-E1638 PolarHBondContact N-O 3.46Å; K1620-E1638 IonicContact NZ-OE1 3.79Å; K1620-E1638 PolarHBondContact NZ-OE1 3.47Å; K1620-E1638 IonicContact NZ-OE2 3.6Å; K1620-E1638 PolarHBondContact NZ-OE2 3.38Å; K1620-E1638 PolarHBondContact O-N 2.84Å; E1638-V1640 HydrophobicContact CG-CG2 4.08Å; E1638-V1640 WeakPolarHBondContact OE1-CG2 3.44Å
1639F95.2Very high93.1Very high0 Ų049.8 Ų49.80%024%0.239CC..EExtended strand (participates in β ladder)trans-99.2115.4179.5-67.7-97.4000109.1E1565 Q1566 I1568 V1592 T1602 L1617 I1619 F1637 L1647 L1649E1565-F1639 VanDerWaalsContact CA-O 3.31Å; E1565-F1639 WeakPolarHBondContact CA-O 3.45Å; Q1566-F1639 PolarHBondContact N-O 2.81Å; Q1566-F1639 PolarHBondContact O-N 3.01Å; I1568-F1639 HydrophobicContact CG2-CD2 4.46Å; I1568-F1639 HydrophobicContact CG2-CE2 3.8Å; V1592-F1639 HydrophobicContact CG1-CE1 4.4Å; V1592-F1639 HydrophobicContact CG1-CZ 3.87Å; V1592-F1639 HydrophobicContact CG2-CE1 3.7Å; V1592-F1639 HydrophobicContact CG2-CZ 4.04Å; T1602-F1639 HydrophobicContact CG2-CE1 4.19Å; T1602-F1639 HydrophobicContact CG2-CZ 3.91Å; L1617-F1639 HydrophobicContact CD1-CB 4.31Å; L1617-F1639 HydrophobicContact CD1-CD1 4.42Å; L1617-F1639 HydrophobicContact CD2-CD1 4.5Å; I1619-F1639 HydrophobicContact CD1-CD1 4.01Å; I1619-F1639 HydrophobicContact CD1-CE1 3.63Å; I1619-F1639 HydrophobicContact CG1-CD1 3.81Å; I1619-F1639 HydrophobicContact CG1-CE1 3.89Å; I1619-F1639 HydrophobicContact CG2-CD1 4.3Å; I1619-F1639 HydrophobicContact CG2-CE1 4.01Å; I1619-F1639 HydrophobicContact CG2-CZ 4.21Å; F1637-F1639 HydrophobicContact CB-CD2 4.34Å; F1637-F1639 HydrophobicContact CB-CE2 3.62Å; F1637-F1639 HydrophobicContact CB-CZ 4.28Å; F1639-L1647 HydrophobicContact CB-CD1 4.27Å; F1639-L1647 HydrophobicContact CB-CD2 4.21Å; F1639-L1649 HydrophobicContact CD1-CD2 4.13Å; F1639-L1649 HydrophobicContact CD2-CD1 3.8Å; F1639-L1649 HydrophobicContact CE1-CD2 4.21Å; F1639-L1649 HydrophobicContact CE2-CD1 3.73Å; F1639-L1649 HydrophobicContact CG-CD1 4.34Å; F1639-L1649 HydrophobicContact CG-CD2 4.3Å; F1639-L1649 HydrophobicContact CZ-CD1 4.22Å; F1639-L1649 HydrophobicContact CZ-CD2 4.46Å
1640V95.3Very high92.9Very high18 Ų1848.8 Ų48.811%0.10923%0.23CC..EExtended strand (participates in β ladder)trans-113.7100.2-179.3-176.50000109.9E1565 L1617 D1618 E1638E1565-V1640 HydrophobicContact CG-CB 4.28Å; E1565-V1640 HydrophobicContact CG-CG1 4Å; E1565-V1640 HydrophobicContact CG-CG2 4.07Å; E1565-V1640 WeakPolarHBondContact OE1-CG1 3.41Å; E1565-V1640 WeakPolarHBondContact OE1-CG2 3.47Å; L1617-V1640 WeakPolarHBondContact CA-O 3.31Å; D1618-V1640 HydrophobicContact CB-CB 4.47Å; D1618-V1640 PolarHBondContact N-O 3.13Å; D1618-V1640 PolarHBondContact O-N 2.77Å; E1638-V1640 HydrophobicContact CG-CG2 4.08Å; E1638-V1640 WeakPolarHBondContact OE1-CG2 3.44Å
1641A93.7Very high92.8Very high0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-96.7120.3-179.300000111.4K1563 A1564 M1616 L1617 L1646 L1647K1563-A1641 CarbonylContact C-O 3.45Å; K1563-A1641 VanDerWaalsContact CA-O 3.29Å; K1563-A1641 WeakPolarHBondContact CA-O 3.16Å; A1564-A1641 HydrophobicContact CB-CB 4.48Å; A1564-A1641 PolarHBondContact N-O 2.96Å; A1564-A1641 PolarHBondContact O-N 2.85Å; M1616-A1641 CarbonylContact O-C 3.51Å; M1616-A1641 WeakPolarHBondContact O-CA 3.49Å; L1617-A1641 HydrophobicContact CD1-CB 3.97Å; A1641-L1646 HydrophobicContact CB-CB 4.25Å; A1641-L1646 HydrophobicContact CB-CD1 4.46Å; A1641-L1647 HydrophobicContact CB-CD1 3.85Å; A1641-L1647 HydrophobicContact CB-CG 4.08Å
1642R92Very high92.7Very high183 Ų18333.4 Ų33.469%0.69116%0.162SC*.SBendtrans-81.8-3.1165.3-62.3-165.2-176.1-167.30.9113.1I1615 M1616I1615-R1642 WeakPolarHBondContact O-CD 3.24Å; M1616-R1642 PolarHBondContact O-N 3.1Å
1643K90.3Very high92.5Very high88 Ų8828.2 Ų28.238%0.38314%0.14SC..SBendtrans-118.3100.1167.7-84.8-159.8-176.7175.50107.6M1616 N1645 L1646M1616-K1643 HydrophobicContact CG-CD 4.18Å; M1616-K1643 HydrophobicContact CG-CG 4.4Å; M1616-K1643 HydrophobicContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CD 3.59Å; M1616-K1643 VanDerWaalsContact SD-CE 3.5Å; M1616-K1643 HydrophobicContact SD-CG 4.43Å; M1616-K1643 PolarHBondContact SD-NZ 3.37Å; K1643-N1645 WeakPolarHBondContact CB-OD1 3.37Å; K1643-N1645 PolarHBondContact O-N 2.99Å; K1643-L1646 HydrophobicContact CB-CD1 4.1Å; K1643-L1646 HydrophobicContact CB-CG 4.06Å; K1643-L1646 WeakPolarHBondContact O-CB 3.46Å; K1643-L1646 WeakPolarHBondContact O-CG 3.44Å; K1643-L1646 PolarHBondContact O-N 3.19Å
1644P91.8Very high92.2Very high12 Ų1227.3 Ų27.38%0.07813%0.131CC..G310 helixtrans-56.7-27.7-174.2-27.434.4000114Q1558 H1561 A1564 L1646 L1647 F1673Q1558-P1644 HydrophobicContact CB-CB 4.02Å; Q1558-P1644 HydrophobicContact CG-CB 4.11Å; Q1558-P1644 PolarHBondContact NE2-O 3.46Å; H1561-P1644 WeakPolarHBondContact O-CG 3.46Å; A1564-P1644 HydrophobicContact CB-CB 4.27Å; P1644-L1646 PolarHBondContact O-N 3.36Å; P1644-L1647 PolarHBondContact O-N 2.89Å; P1644-L1647 VanDerWaalsContact O-N 3.13Å; P1644-L1647 VanDerWaalsContact O-O 3.06Å; P1644-F1673 HydrophobicContact CB-CD1 4.26Å; P1644-F1673 HydrophobicContact CB-CE1 4.34Å
1645N90.4Very high91.8Very high56 Ų5628.3 Ų28.330%0.29913%0.132SC..G310 helixtrans-61.6-11.4-179.971-88.2000115.4K1643K1643-N1645 WeakPolarHBondContact CB-OD1 3.37Å; K1643-N1645 PolarHBondContact O-N 2.99Å
1646L91.3Very high91.2Very high11 Ų1131.7 Ų31.76%0.05815%0.148CC..G310 helixtrans-80.6-28.8176.7-60.7-175.7000112.7L1594 F1595 D1596 M1616 L1617 A1641 K1643 P1644L1594-L1646 WeakPolarHBondContact CB-O 3.35Å; L1594-L1646 HydrophobicContact CD1-CB 3.9Å; L1594-L1646 HydrophobicContact CD1-CD2 3.9Å; L1594-L1646 HydrophobicContact CD1-CG 4.3Å; F1595-L1646 PolarHBondContact N-O 2.88Å; D1596-L1646 WeakPolarHBondContact OD2-CD2 3.32Å; M1616-L1646 HydrophobicContact CB-CD1 4.17Å; L1617-L1646 HydrophobicContact CB-CD1 4.06Å; A1641-L1646 HydrophobicContact CB-CB 4.25Å; A1641-L1646 HydrophobicContact CB-CD1 4.46Å; K1643-L1646 HydrophobicContact CB-CD1 4.1Å; K1643-L1646 HydrophobicContact CB-CG 4.06Å; K1643-L1646 WeakPolarHBondContact O-CB 3.46Å; K1643-L1646 WeakPolarHBondContact O-CG 3.44Å; K1643-L1646 PolarHBondContact O-N 3.19Å; P1644-L1646 PolarHBondContact O-N 3.36Å
1647L92.2Very high90.6Very high0 Ų029.6 Ų29.60%014%0.135CC..  trans-112.4148.4-176.5-73.5178.2000110.9Q1558 A1564 Q1566 F1639 A1641 P1644 L1649 V1671Q1558-L1647 PolarHBondContact NE2-O 2.81Å; A1564-L1647 HydrophobicContact CB-CB 4.02Å; A1564-L1647 HydrophobicContact CB-CD1 4.04Å; Q1566-L1647 HydrophobicContact CB-CD1 4.15Å; Q1566-L1647 HydrophobicContact CB-CD2 4.33Å; F1639-L1647 HydrophobicContact CB-CD1 4.27Å; F1639-L1647 HydrophobicContact CB-CD2 4.21Å; A1641-L1647 HydrophobicContact CB-CD1 3.85Å; A1641-L1647 HydrophobicContact CB-CG 4.08Å; P1644-L1647 PolarHBondContact O-N 2.89Å; P1644-L1647 VanDerWaalsContact O-N 3.13Å; P1644-L1647 VanDerWaalsContact O-O 3.06Å; L1647-L1649 HydrophobicContact CD2-CD2 3.75Å; L1647-L1649 HydrophobicContact CD2-CG 3.94Å; L1647-V1671 HydrophobicContact CB-CG2 4.17Å
1648P90.7Very high89.6Confident3 Ų330.3 Ų30.32%0.01914%0.142CC..SBendcis-90.3167.914.337-41.3000117F1542 F1595 V1650 V1671F1542-P1648 HydrophobicContact CD2-CB 3.85Å; F1542-P1648 HydrophobicContact CD2-CG 3.87Å; F1542-P1648 HydrophobicContact CE2-CB 3.47Å; F1542-P1648 VanDerWaalsContact CE2-CB 3.47Å; F1542-P1648 HydrophobicContact CE2-CG 4.02Å; F1542-P1648 HydrophobicContact CZ-CB 4Å; F1595-P1648 WeakPolarHBondContact CB-O 3.48Å; F1595-P1648 HydrophobicContact CD2-CG 4.02Å; F1595-P1648 HydrophobicContact CE2-CG 4.44Å; F1595-P1648 PolarHBondContact N-O 3.25Å; P1648-V1650 PolarHBondContact O-N 3.16Å; P1648-V1671 HydrophobicContact CB-CB 3.88Å; P1648-V1671 HydrophobicContact CB-CG1 3.86Å; P1648-V1671 HydrophobicContact CB-CG2 4.05Å; P1648-V1671 HydrophobicContact CG-CG1 4.28Å
1649L89Confident88.8Confident1 Ų133 Ų331%0.00516%0.155CC..  trans-68.9106.2-177.3-61.6176.6000114.8F1542 I1568 V1592 K1593 L1594 F1639 L1647F1542-L1649 HydrophobicContact CE2-CB 4.45Å; F1542-L1649 WeakPolarHBondContact CE2-O 3.35Å; I1568-L1649 HydrophobicContact CG2-CD1 4.36Å; V1592-L1649 HydrophobicContact CB-CD2 4.24Å; V1592-L1649 HydrophobicContact CG2-CD2 4.16Å; K1593-L1649 CarbonylContact O-C 3.54Å; L1594-L1649 HydrophobicContact CD2-CD2 3.83Å; F1639-L1649 HydrophobicContact CD1-CD2 4.13Å; F1639-L1649 HydrophobicContact CD2-CD1 3.8Å; F1639-L1649 HydrophobicContact CE1-CD2 4.21Å; F1639-L1649 HydrophobicContact CE2-CD1 3.73Å; F1639-L1649 HydrophobicContact CG-CD1 4.34Å; F1639-L1649 HydrophobicContact CG-CD2 4.3Å; F1639-L1649 HydrophobicContact CZ-CD1 4.22Å; F1639-L1649 HydrophobicContact CZ-CD2 4.46Å; L1647-L1649 HydrophobicContact CD2-CD2 3.75Å; L1647-L1649 HydrophobicContact CD2-CG 3.94Å
1650V85.5Confident88Confident22 Ų2238.7 Ų38.713%0.13320%0.195CC..  trans-65.6-45.4-173.8175.10000113.4V1540 K1593 L1594 F1595 P1648V1540-V1650 CarbonylContact C-O 3.6Å; V1540-V1650 VanDerWaalsContact O-O 3.13Å; K1593-V1650 HydrophobicContact CB-CB 4.45Å; K1593-V1650 HydrophobicContact CD-CG1 4.35Å; K1593-V1650 HydrophobicContact CG-CB 4.34Å; K1593-V1650 PolarHBondContact O-N 3Å; L1594-V1650 VanDerWaalsContact O-CG2 3.23Å; L1594-V1650 WeakPolarHBondContact O-CG2 3.38Å; F1595-V1650 HydrophobicContact CD2-CG2 4.49Å; P1648-V1650 PolarHBondContact O-N 3.16Å
1651D87.6Confident87.6Confident13 Ų1341.5 Ų41.57%0.0721%0.209CC..EExtended strand (participates in β ladder)trans-157.4168.7-175.7-160.5-2.8000110.5W1522 S1524 K1593W1522-D1651 HydrophobicContact CE3-CB 3.72Å; W1522-D1651 VanDerWaalsContact CE3-CG 3.49Å; W1522-D1651 HydrophobicContact CZ3-CB 4.03Å; S1524-D1651 WeakPolarHBondContact CB-OD2 3.43Å; S1524-D1651 PolarHBondContact N-OD1 2.75Å; S1524-D1651 PolarHBondContact OG-OD2 3.13Å; K1593-D1651 HydrophobicContact CB-CB 4.21Å; K1593-D1651 PolarHBondContact N-O 3.1Å
1652I89.3Confident87.4Confident1 Ų141.6 Ų41.61%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-133.5135.1-175.4-61.5149.7000108.6W1522 I1523 V1540 I1568 F1570 V1590 V1592 L1654 M1668W1522-I1652 CarbonylContact C-O 3.56Å; W1522-I1652 VanDerWaalsContact CA-O 3.29Å; W1522-I1652 WeakPolarHBondContact CA-O 3.41Å; W1522-I1652 VanDerWaalsContact CE3-C 3.42Å; I1523-I1652 HydrophobicContact CD1-CB 3.82Å; I1523-I1652 HydrophobicContact CD1-CD1 4.08Å; I1523-I1652 HydrophobicContact CD1-CG2 3.83Å; I1523-I1652 HydrophobicContact CG1-CB 4.15Å; I1523-I1652 HydrophobicContact CG1-CG2 4.31Å; I1523-I1652 PolarHBondContact N-O 2.66Å; V1540-I1652 HydrophobicContact CG1-CD1 4.4Å; I1568-I1652 HydrophobicContact CD1-CD1 3.31Å; I1568-I1652 HydrophobicContact CD1-CG1 4.3Å; F1570-I1652 HydrophobicContact CE1-CD1 4.31Å; F1570-I1652 HydrophobicContact CE1-CG2 3.96Å; F1570-I1652 HydrophobicContact CZ-CD1 4.09Å; F1570-I1652 HydrophobicContact CZ-CG1 4.4Å; F1570-I1652 HydrophobicContact CZ-CG2 3.73Å; V1590-I1652 HydrophobicContact CB-CG2 4.4Å; V1590-I1652 HydrophobicContact CG1-CG2 3.51Å; V1592-I1652 HydrophobicContact CG1-CG1 4.44Å; I1652-L1654 HydrophobicContact CG2-CD2 4.31Å; I1652-M1668 HydrophobicContact CD1-SD 4.28Å
1653Q90.5Very high87.3Confident33 Ų3334.7 Ų34.715%0.15419%0.185CC..EExtended strand (participates in β ladder)trans-112.8120.9174.8177.1177.734.800111.4W1521 W1522 V1590 I1591W1521-Q1653 CarbonylContact O-C 3.55Å; W1521-Q1653 VanDerWaalsContact O-CA 3.29Å; W1521-Q1653 WeakPolarHBondContact O-CA 3.5Å; W1522-Q1653 HydrophobicContact CD2-CB 3.7Å; W1522-Q1653 HydrophobicContact CD2-CG 4.42Å; W1522-Q1653 HydrophobicContact CE3-CB 3.68Å; W1522-Q1653 HydrophobicContact CG-CB 4.3Å; W1522-Q1653 HydrophobicContact CH2-CB 3.9Å; W1522-Q1653 HydrophobicContact CZ2-CB 3.92Å; W1522-Q1653 HydrophobicContact CZ3-CB 3.78Å; V1590-Q1653 WeakPolarHBondContact CG1-O 3.3Å; I1591-Q1653 HydrophobicContact CB-CB 3.97Å; I1591-Q1653 HydrophobicContact CG2-CB 4.09Å; I1591-Q1653 PolarHBondContact N-O 2.81Å; I1591-Q1653 PolarHBondContact O-N 2.93Å
1654L89.6Confident87.3Confident5 Ų530.7 Ų30.73%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-84.4135171.9-49.7-178.7000109.5D1520 W1521 I1523 L1526 V1590 I1652 F1657 I1664D1520-L1654 CarbonylContact C-O 3.58Å; D1520-L1654 VanDerWaalsContact CA-O 3.29Å; D1520-L1654 WeakPolarHBondContact CA-O 3.37Å; W1521-L1654 PolarHBondContact N-O 3.03Å; W1521-L1654 PolarHBondContact O-N 3.13Å; I1523-L1654 HydrophobicContact CD1-CD2 4.27Å; I1523-L1654 HydrophobicContact CD1-CG 4.49Å; I1523-L1654 HydrophobicContact CG1-CD1 4.34Å; I1523-L1654 HydrophobicContact CG1-CD2 4.4Å; I1523-L1654 HydrophobicContact CG1-CG 4.12Å; L1526-L1654 HydrophobicContact CD1-CD1 4.01Å; V1590-L1654 HydrophobicContact CG1-CD2 3.6Å; I1652-L1654 HydrophobicContact CG2-CD2 4.31Å; L1654-F1657 HydrophobicContact CB-CB 3.86Å; L1654-F1657 HydrophobicContact CB-CG 4.34Å; L1654-F1657 HydrophobicContact CD1-CB 4.27Å; L1654-F1657 HydrophobicContact CD1-CD1 3.95Å; L1654-F1657 HydrophobicContact CD1-CD2 4.15Å; L1654-F1657 HydrophobicContact CD1-CE1 4.42Å; L1654-F1657 HydrophobicContact CD1-CG 3.82Å; L1654-I1664 HydrophobicContact CD1-CD1 3.96Å; L1654-I1664 HydrophobicContact CD1-CG2 3.77Å; L1654-I1664 HydrophobicContact CD2-CD1 3.6Å; L1654-I1664 HydrophobicContact CG-CD1 4.44Å
1655K87.6Confident87.3Confident52 Ų5230.1 Ų30.123%0.22616%0.164CC..SBendtrans-100.3150171-73.8179.8177.6162.90111.1D1520 K1587 D1601 F1657D1520-K1655 WeakPolarHBondContact OD1-CA 3.37Å; K1587-K1655 WeakPolarHBondContact O-CB 3.21Å; K1587-K1655 WeakPolarHBondContact O-CD 3.46Å; D1601-K1655 IonicContact OD2-NZ 3.3Å; D1601-K1655 PolarHBondContact OD2-NZ 3.49Å; K1655-F1657 PolarHBondContact O-N 2.86Å; K1655-F1657 VanDerWaalsContact O-N 3.12Å
1656E83.5Confident87.3Confident71 Ų7127.7 Ų27.733%0.33215%0.151SC..SBendtrans48.533.6-178.3-59-165.6154.300116.1K1519 D1520 N1588K1519-E1656 PolarHBondContact O-N 3.15Å; K1519-E1656 VanDerWaalsContact O-N 3.16Å; D1520-E1656 PolarHBondContact OD1-N 3.45Å; N1588-E1656 PolarHBondContact ND2-OE2 2.9Å; N1588-E1656 VanDerWaalsContact OD1-CB 3.26Å; N1588-E1656 WeakPolarHBondContact OD1-CB 3.14Å; N1588-E1656 VanDerWaalsContact OD1-CD 3.23Å; N1588-E1656 WeakPolarHBondContact OD1-CG 3.4Å; N1588-E1656 PolarHBondContact OD1-OE2 2.61Å; N1588-E1656 VanDerWaalsContact OD1-OE2 3.12Å
1657F84.2Confident87.3Confident4 Ų431.4 Ų31.42%0.01817%0.165CC..  trans-96.7155.3-174.6-172.8-97.6000114.3F1512 K1514 K1519 T1575 L1654 K1655 Q1662 I1664F1512-F1657 HydrophobicContact CB-CE1 4.16Å; F1512-F1657 AromaticContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CE1 3.93Å; F1512-F1657 HydrophobicContact CD2-CZ 4.09Å; K1514-F1657 WeakPolarHBondContact CE-O 3.48Å; K1514-F1657 PolarHBondContact NZ-O 3.13Å; K1519-F1657 PolarHBondContact O-N 3.35Å; T1575-F1657 HydrophobicContact CG2-CD2 3.64Å; T1575-F1657 HydrophobicContact CG2-CE2 3.82Å; L1654-F1657 HydrophobicContact CB-CB 3.86Å; L1654-F1657 HydrophobicContact CB-CG 4.34Å; L1654-F1657 HydrophobicContact CD1-CB 4.27Å; L1654-F1657 HydrophobicContact CD1-CD1 3.95Å; L1654-F1657 HydrophobicContact CD1-CD2 4.15Å; L1654-F1657 HydrophobicContact CD1-CE1 4.42Å; L1654-F1657 HydrophobicContact CD1-CG 3.82Å; K1655-F1657 PolarHBondContact O-N 2.86Å; K1655-F1657 VanDerWaalsContact O-N 3.12Å; F1657-Q1662 HydrophobicContact CD2-CB 4.33Å; F1657-Q1662 HydrophobicContact CE2-CB 3.78Å; F1657-Q1662 HydrophobicContact CZ-CB 4.32Å; F1657-I1664 HydrophobicContact CD2-CG2 4.44Å; F1657-I1664 HydrophobicContact CE1-CG2 4.32Å; F1657-I1664 HydrophobicContact CE2-CB 4.06Å; F1657-I1664 HydrophobicContact CE2-CG2 3.69Å; F1657-I1664 HydrophobicContact CZ-CB 4.4Å; F1657-I1664 HydrophobicContact CZ-CG2 3.63Å
1658G75.1Confident87.2Confident15 Ų1531.5 Ų31.516%0.15517%0.165CC..  trans100.435.6165.900000114.7K1514K1514-G1658 WeakPolarHBondContact CD-O 3.22Å; K1514-G1658 WeakPolarHBondContact CE-O 2.99Å; K1514-G1658 PolarHBondContact NZ-O 3.12Å
1659E80.5Confident87.2Confident105 Ų10533.1 Ų33.149%0.49117%0.174SC..  trans-71.9157.4156.4-61.5-177.4145.400109.5N1511 R1628 D1661 Q1662N1511-E1659 PolarHBondContact ND2-O 3.17Å; R1628-E1659 IonicContact NH1-OE2 3.94Å; R1628-E1659 PolarHBondContact NH1-OE2 3.39Å; E1659-D1661 PolarHBondContact O-N 2.83Å; E1659-Q1662 HydrophobicContact CB-CG 4.05Å; E1659-Q1662 PolarHBondContact O-N 2.86Å
1660S78.8Confident87.3Confident120 Ų12033.3 Ų33.384%0.83918%0.175SC*.THydrogen-bonded Turntrans-71.5-11-169.249.40000115N1511N1511-S1660 PolarHBondContact ND2-O 3.07Å
1661D86Confident87.6Confident77 Ų7732.4 Ų32.441%0.41217%0.17SC..THydrogen-bonded Turntrans-108.1-4.2177.465.1-4.6000113.7N1574 E1659N1574-D1661 PolarHBondContact ND2-OD1 3.44Å; N1574-D1661 PolarHBondContact ND2-OD2 3.26Å; E1659-D1661 PolarHBondContact O-N 2.83Å
1662Q89Confident88Confident1 Ų132.3 Ų32.31%0.00517%0.17CC..  trans-79.3127.6176.3-75.3-178.1-32.400110.9N1511 T1575 F1657 E1659N1511-Q1662 PolarHBondContact ND2-O 3.06Å; T1575-Q1662 WeakPolarHBondContact OG1-CB 2.99Å; F1657-Q1662 HydrophobicContact CD2-CB 4.33Å; F1657-Q1662 HydrophobicContact CE2-CB 3.78Å; F1657-Q1662 HydrophobicContact CZ-CB 4.32Å; E1659-Q1662 HydrophobicContact CB-CG 4.05Å; E1659-Q1662 PolarHBondContact O-N 2.86Å
1663E90.9Very high88.3Confident38 Ų3832.2 Ų32.218%0.17817%0.17CC..EExtended strand (participates in β ladder)trans-128.9141171.8-61.9174-17600110L1509 T1510 N1511 R1573 T1575L1509-E1663 HydrophobicContact CD1-CB 3.73Å; L1509-E1663 WeakPolarHBondContact CD1-O 3Å; L1509-E1663 WeakPolarHBondContact CD2-OE2 3.45Å; L1509-E1663 HydrophobicContact CG-CB 3.8Å; L1509-E1663 WeakPolarHBondContact CG-OE2 3.29Å; T1510-E1663 WeakPolarHBondContact O-CA 3.37Å; N1511-E1663 HydrophobicContact CB-CG 4.14Å; R1573-E1663 HydrophobicContact CB-CB 4.19Å; R1573-E1663 IonicContact CZ-OE1 2.86Å; R1573-E1663 IonicContact CZ-OE2 2.86Å; R1573-E1663 PolarHBondContact N-O 3.46Å; R1573-E1663 IonicContact NE-OE2 2.62Å; R1573-E1663 IonicContact NH1-OE1 3.12Å; R1573-E1663 PolarHBondContact NH1-OE1 3.03Å; R1573-E1663 IonicContact NH1-OE2 3.83Å; R1573-E1663 PolarHBondContact NH1-OE2 3.11Å; R1573-E1663 IonicContact NH2-OE1 3.83Å; R1573-E1663 PolarHBondContact NH2-OE1 3.11Å; R1573-E1663 IonicContact NH2-OE2 3.93Å; R1573-E1663 PolarHBondContact O-N 3.18Å; R1573-E1663 VanDerWaalsContact O-O 3.11Å; T1575-E1663 PolarHBondContact OG1-N 2.7Å; T1575-E1663 PolarHBondContact OG1-O 3.42Å
1664I90.8Very high88.3Confident4 Ų432.6 Ų32.62%0.02118%0.176CC..EExtended strand (participates in β ladder)trans-138.8145.1175.7-166.3170000110.4T1510 F1512 F1570 T1571 V1577 L1654 F1657T1510-I1664 PolarHBondContact N-O 3.16Å; T1510-I1664 PolarHBondContact O-N 3.18Å; F1512-I1664 HydrophobicContact CD2-CG2 4Å; F1512-I1664 HydrophobicContact CE2-CG2 3.61Å; F1512-I1664 WeakPolarHBondContact CE2-O 3Å; F1570-I1664 HydrophobicContact CD1-CD1 4.07Å; F1570-I1664 HydrophobicContact CD1-CG1 4.46Å; T1571-I1664 CarbonylContact O-C 3.55Å; T1571-I1664 WeakPolarHBondContact O-CA 3.1Å; V1577-I1664 HydrophobicContact CG1-CD1 3.49Å; V1577-I1664 VanDerWaalsContact CG1-CD1 3.49Å; L1654-I1664 HydrophobicContact CD1-CD1 3.96Å; L1654-I1664 HydrophobicContact CD1-CG2 3.77Å; L1654-I1664 HydrophobicContact CD2-CD1 3.6Å; L1654-I1664 HydrophobicContact CG-CD1 4.44Å; F1657-I1664 HydrophobicContact CD2-CG2 4.44Å; F1657-I1664 HydrophobicContact CE1-CG2 4.32Å; F1657-I1664 HydrophobicContact CE2-CB 4.06Å; F1657-I1664 HydrophobicContact CE2-CG2 3.69Å; F1657-I1664 HydrophobicContact CZ-CB 4.4Å; F1657-I1664 HydrophobicContact CZ-CG2 3.63Å
1665G90.2Very high88.3Confident0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-138.7169.9169.900000109.2Q1507 F1570 T1571Q1507-G1665 CarbonylContact O-C 3.53Å; Q1507-G1665 WeakPolarHBondContact O-CA 3.33Å; F1570-G1665 CarbonylContact C-O 3.52Å; F1570-G1665 WeakPolarHBondContact CA-O 3.08Å; T1571-G1665 PolarHBondContact N-O 3.11Å; T1571-G1665 PolarHBondContact O-N 3.08Å; T1571-G1665 VanDerWaalsContact O-O 3.1Å
1666Y91.2Very high88.3Confident6 Ų633 Ų332%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-149.8156.9175.266.7-97.8000110.9T1504 T1506 Q1507 I1523 V1540 I1568 T1569 M1668T1504-Y1666 WeakPolarHBondContact O-CE2 3.33Å; T1504-Y1666 PolarHBondContact O-OH 2.97Å; T1506-Y1666 WeakPolarHBondContact CA-O 3.5Å; Q1507-Y1666 HydrophobicContact CB-CD1 3.44Å; Q1507-Y1666 VanDerWaalsContact CB-CD1 3.44Å; Q1507-Y1666 HydrophobicContact CB-CD2 4.3Å; Q1507-Y1666 HydrophobicContact CB-CE1 3.17Å; Q1507-Y1666 HydrophobicContact CB-CE2 4.08Å; Q1507-Y1666 HydrophobicContact CB-CG 3.98Å; Q1507-Y1666 HydrophobicContact CG-CD1 3.92Å; Q1507-Y1666 HydrophobicContact CG-CE1 3.69Å; Q1507-Y1666 PolarHBondContact N-O 2.71Å; Q1507-Y1666 PolarHBondContact O-N 3.04Å; I1523-Y1666 HydrophobicContact CD1-CD1 3.88Å; I1523-Y1666 HydrophobicContact CD1-CE1 3.99Å; I1523-Y1666 HydrophobicContact CG2-CE1 4.02Å; V1540-Y1666 HydrophobicContact CG2-CE1 4.21Å; I1568-Y1666 HydrophobicContact CD1-CD2 4.36Å; I1568-Y1666 HydrophobicContact CD1-CG 4.48Å; T1569-Y1666 CarbonylContact O-C 3.53Å; T1569-Y1666 VanDerWaalsContact O-CA 3.25Å; T1569-Y1666 WeakPolarHBondContact O-CA 3.36Å; Y1666-M1668 HydrophobicContact CD2-CG 3.83Å; Y1666-M1668 HydrophobicContact CD2-SD 3.78Å; Y1666-M1668 HydrophobicContact CE2-CG 4.01Å; Y1666-M1668 HydrophobicContact CE2-SD 3.4Å; Y1666-M1668 WeakPolarHBondContact CE2-SD 3.37Å
1667Y92.2Very high88.6Confident89 Ų8930.9 Ų30.935%0.34917%0.172SC..EExtended strand (participates in β ladder)trans-125.4118.7167.4175.2-92.8000108.1K1505 T1506 I1568 T1569 D1669K1505-Y1667 HydrophobicContact CG-CE2 4.09Å; K1505-Y1667 WeakPolarHBondContact O-CA 3.23Å; T1506-Y1667 HydrophobicContact CG2-CD2 4.18Å; I1568-Y1667 CarbonylContact C-O 3.41Å; I1568-Y1667 WeakPolarHBondContact CA-O 3.27Å; T1569-Y1667 PolarHBondContact N-O 3.1Å; T1569-Y1667 PolarHBondContact O-N 3.32Å; Y1667-D1669 HydrophobicContact CE1-CB 4.13Å
1668M89.7Confident88.8Confident1 Ų132.5 Ų32.51%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-96.2123.8173.7-76.9158.67000108.6P1500 K1505 V1540 F1542 I1568 I1652 Y1666P1500-M1668 HydrophobicContact CG-CB 4.29Å; P1500-M1668 VanDerWaalsContact CG-O 3.25Å; P1500-M1668 WeakPolarHBondContact CG-O 3.39Å; K1505-M1668 PolarHBondContact O-N 2.72Å; V1540-M1668 HydrophobicContact CG1-CE 4.01Å; V1540-M1668 HydrophobicContact CG1-SD 3.97Å; F1542-M1668 HydrophobicContact CD1-CE 4.44Å; F1542-M1668 HydrophobicContact CE1-CE 3.61Å; F1542-M1668 HydrophobicContact CE2-CE 3.77Å; F1542-M1668 HydrophobicContact CZ-CE 3.18Å; I1568-M1668 HydrophobicContact CB-CG 4.32Å; I1568-M1668 HydrophobicContact CD1-CG 3.52Å; I1568-M1668 HydrophobicContact CD1-SD 4.17Å; I1568-M1668 HydrophobicContact CG1-CG 3.77Å; I1652-M1668 HydrophobicContact CD1-SD 4.28Å; Y1666-M1668 HydrophobicContact CD2-CG 3.83Å; Y1666-M1668 HydrophobicContact CD2-SD 3.78Å; Y1666-M1668 HydrophobicContact CE2-CG 4.01Å; Y1666-M1668 HydrophobicContact CE2-SD 3.4Å; Y1666-M1668 WeakPolarHBondContact CE2-SD 3.37Å
1669D90.8Very high89.7Confident38 Ų3833.6 Ų33.620%0.20318%0.183CC..EExtended strand (participates in β ladder)trans-83.2172.1172.8-154.8-12.3000110.4Q1566 I1567 Y1667Q1566-D1669 PolarHBondContact NE2-O 3.08Å; Q1566-D1669 VanDerWaalsContact NE2-O 3.12Å; I1567-D1669 HydrophobicContact CB-CB 4.12Å; I1567-D1669 WeakPolarHBondContact O-CB 3.13Å; I1567-D1669 PolarHBondContact O-N 2.97Å; Y1667-D1669 HydrophobicContact CE1-CB 4.13Å
1670A90.7Very high90.3Very high4 Ų428.8 Ų28.83%0.03316%0.163CC..EExtended strand (participates in β ladder)trans-56146.6172.800000111.9C1497 I1498 K1499C1497-A1670 HydrophobicContact CB-CB 3.99Å; I1498-A1670 CarbonylContact O-C 3.55Å; I1498-A1670 WeakPolarHBondContact O-CA 3.25Å; I1498-A1670 WeakPolarHBondContact O-CB 3.34Å; K1499-A1670 HydrophobicContact CG-CB 3.99Å
1671V92.5Very high91.1Very high3 Ų322.3 Ų22.32%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-83.5123.7162.257.60000108C1497 I1498 E1565 Q1566 L1647 P1648 F1673C1497-V1671 CarbonylContact C-O 3.57Å; C1497-V1671 VanDerWaalsContact CA-O 3.29Å; C1497-V1671 WeakPolarHBondContact CA-O 3.37Å; I1498-V1671 HydrophobicContact CB-CG1 4.01Å; I1498-V1671 HydrophobicContact CD1-CG1 4.37Å; I1498-V1671 HydrophobicContact CG1-CG1 4.19Å; I1498-V1671 PolarHBondContact N-O 3Å; I1498-V1671 PolarHBondContact O-N 3.33Å; E1565-V1671 WeakPolarHBondContact O-CA 3.24Å; Q1566-V1671 HydrophobicContact CB-CB 4.48Å; L1647-V1671 HydrophobicContact CB-CG2 4.17Å; P1648-V1671 HydrophobicContact CB-CB 3.88Å; P1648-V1671 HydrophobicContact CB-CG1 3.86Å; P1648-V1671 HydrophobicContact CB-CG2 4.05Å; P1648-V1671 HydrophobicContact CG-CG1 4.28Å; V1671-F1673 HydrophobicContact CB-CE2 4.42Å; V1671-F1673 HydrophobicContact CG1-CE2 3.85Å; V1671-F1673 HydrophobicContact CG1-CZ 4.32Å; V1671-F1673 HydrophobicContact CG2-CD2 4.47Å; V1671-F1673 HydrophobicContact CG2-CE1 4.37Å; V1671-F1673 HydrophobicContact CG2-CE2 3.8Å; V1671-F1673 HydrophobicContact CG2-CZ 3.74Å
1672C94.6Very high91.5Very high11 Ų1118.1 Ų18.17%0.0749%0.091CC..EExtended strand (participates in β ladder)trans-110.5128.3-179.4-65.80000110.3E1495 C1497 A1564 E1565E1495-C1672 HydrophobicContact CB-CB 4.39Å; C1497-C1672 HydrophobicContact CB-CB 4.14Å; C1497-C1672 WeakPolarHBondContact CB-SG 3.43Å; C1497-C1672 WeakPolarHBondContact SG-CB 3.46Å; C1497-C1672 CovalentContact SG-SG 2.04Å; C1497-C1672 PolarHBondContact SG-SG 2.88Å; A1564-C1672 CarbonylContact C-O 3.6Å; A1564-C1672 VanDerWaalsContact CA-O 3.31Å; A1564-C1672 WeakPolarHBondContact CA-O 3.28Å; E1565-C1672 PolarHBondContact N-O 3.49Å; E1565-C1672 PolarHBondContact O-N 3.47Å
1673F95.1Very high91.7Very high0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-105137.8176.9-61-87.2000110.5E1495 T1496 I1498 I1554 L1557 Q1558 H1561 K1563 A1564 P1644 V1671E1495-F1673 WeakPolarHBondContact CA-O 3.3Å; T1496-F1673 PolarHBondContact N-O 3.49Å; T1496-F1673 PolarHBondContact O-N 3.13Å; I1498-F1673 HydrophobicContact CD1-CD2 4.41Å; I1498-F1673 HydrophobicContact CD1-CE2 3.77Å; I1498-F1673 HydrophobicContact CG1-CD2 4.43Å; I1498-F1673 HydrophobicContact CG1-CE2 4.11Å; I1554-F1673 HydrophobicContact CG2-CZ 4.34Å; L1557-F1673 HydrophobicContact CB-CD2 4.43Å; L1557-F1673 HydrophobicContact CD1-CD2 4.4Å; Q1558-F1673 HydrophobicContact CG-CE1 3.86Å; Q1558-F1673 HydrophobicContact CG-CZ 4.4Å; H1561-F1673 HydrophobicContact CB-CB 3.87Å; H1561-F1673 VanDerWaalsContact CD2-C 3.41Å; H1561-F1673 PolarHBondContact CD2-O 3.34Å; H1561-F1673 VanDerWaalsContact CG-CB 3.49Å; K1563-F1673 WeakPolarHBondContact O-CA 3.31Å; A1564-F1673 HydrophobicContact CB-CD1 3.69Å; A1564-F1673 HydrophobicContact CB-CE1 3.76Å; P1644-F1673 HydrophobicContact CB-CD1 4.26Å; P1644-F1673 HydrophobicContact CB-CE1 4.34Å; V1671-F1673 HydrophobicContact CB-CE2 4.42Å; V1671-F1673 HydrophobicContact CG1-CE2 3.85Å; V1671-F1673 HydrophobicContact CG1-CZ 4.32Å; V1671-F1673 HydrophobicContact CG2-CD2 4.47Å; V1671-F1673 HydrophobicContact CG2-CE1 4.37Å; V1671-F1673 HydrophobicContact CG2-CE2 3.8Å; V1671-F1673 HydrophobicContact CG2-CZ 3.74Å
1674S91.9Very high91.8Very high40 Ų4017.8 Ų17.828%0.289%0.091SC..  trans-143.10-175.370.70000114.2H1561 S1562 K1563H1561-S1674 PolarHBondContact CD2-N 3.47Å; S1562-S1674 PolarHBondContact N-O 3.34Å; S1562-S1674 PolarHBondContact OG-O 3.06Å; K1563-S1674 WeakPolarHBondContact CB-OG 3.47Å; K1563-S1674 PolarHBondContact N-O 3.49Å; K1563-S1674 PolarHBondContact O-N 3.25Å

Retrieved 1,674 of 1,674 residues in 255.3 ms (Link to these results)