A0A5K4F3D4_SCHMA Loading...

Sterol regulatory element-binding protein cleavage-activating protein

Escort protein required for cholesterol as well as lipid homeostasis. Regulates export of the SCAP-SREBP complex from the endoplasmic reticulum to the Golgi upon low cholesterol, thereby regulating the processing of sterol regulatory element-binding proteins (SREBPs) SREBF1/SREBP1 and SREBF2/SREBP2. At high sterol concentrations, formation of a ternary complex with INSIG (INSIG1 or INSIG2) leads to mask the ER export signal in SCAP, promoting retention of the complex in the endoplasmic reticulum. Low sterol concentrations trigger release of INSIG, a conformational change in the SSD domain of SCAP, unmasking of the ER export signal, promoting recruitment into COPII-coated vesicles and transport of the SCAP-SREBP to the Golgi: in the Golgi, SREBPs are then processed, releasing the transcription factor fragment of SREBPs from the membrane, its import into the nucleus and up-regulation of LDLR, INSIG1 and the mevalonate pathway. Binds cholesterol via its SSD domain.

AlphaFold DB , UniProt , Accession A0A5K4F3D4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,553 aa.

>A0A5K4F3D4_SCHMA|A0A5K4F3D4
MSLFSRFLPSDVLLERFKLKISRVYYNHGLFISSHPAPVITTVCILMIFLCYPLTQIPFVKEVPIHRAVVRDDEFQSFKDSRYVFTHDDENKSLGYMLQIVTHSKIITKTPKCHISHETIVHLLQQSNEIVELVHQFKSSGDESTPGGQTFDDICFQVEDRTVSEVENSETIKNVLPTFGCLMLAPSFLLVDRLGVIQSHQPSVLSRIKLAASGNLLDLLFGFPWKTTGLSKLSRCSRERTVTYALTLVFREYKPSFFSELRDYLIDSMENRHKDVNISMETRKLNDTSNTASVGHIFLVWYSDRSYFADYAPLLFIYVILLLYVYFSVRKLEMVKSKWGLALSACVTVAASLFMSIGLCVTIGLVMPTLNGSEVFPYLVVLIGFENVIVLTKSVVATPVDLPVKYRIAEGLSKESWSHTKLYFTGLLLLGLGFLTFHPTMQEFCLFAVVGLTTDFFLQLFFFVTILSVDIRRMELSDLMLEYPVHSFMQEPQMIPPFYSFTSPLSSPTPLSSSLDMMMNESSCKIEKPSSLLTEMSNKRETQISNKYLAYILSFISNLSFMLFKPVKAIFRRTRLSFMKGHRRNVSAAQTAAYLASDGQTSQNVPRRLRVLRCWAKSRLIQRVLLFIFSLWVIMILMHAVDIVQLFFNIYLYMSSLLLQSSTSHSWFTLSSYTSDNDHYNTITTTTVNSSDMNGHHIPLSVSQLPLMNSSVFSSLSLVNSSIQSDSQENLFSIIKNVSIVDQENSIGEHLKVSLNQHEIDPHDDHFLQERDISVQFDVGVDDDIKSQINTPNIVHHLQLNEMTQNNFTWNTMFIWNYLAYSYWPSLAKHYNLSLVGCHLALLEPVHLKYKLHIIDSDQGIGMSDIQSDQKESISYLSFENERTLDENNHLHFINDDDNNILISNVRRKRLHASSTSPGGFTGWTARLGLTASMLGTSLLGCSLVLLLTCLGMICLQSKSSNSTKREPIIRVLPLTIDLVNNVTTTGSMDLDYDQHDCLLSPEWTVACGQVYYKDKNGNVCPHGLLAVTSVRSYIRIKSYPSKVIQLWCADSGNLLFDLKRYSEETNIKRKSLPSSAACRKFSTIWCMDFLPQGLLVVGCSDGTIEIWNCESGHLLDILCLNNINNDHLLVKKETQNSSSTSHSKINPGGITIIRIIDESRFFIGTSHGVVAYFNVVYTKGNLLQTFRLIRQWHSHSRAISQLDYLKYFNKNTVDNPNDLLTNINPNHISVLLISGSEDGCIKFFSSECDSPLFHCAVDTTPVLCMNLNRLALGVSHASGSLYVCCLEVLHKTTNNSGVNLKAKNQIESLEIRLIDLSLLNNGFGISSEIQQFAASSLTSGKVQNKKISSYNRLGSINLRLFMRRDRYSDKTQKSCNSLSTLANYRLVTYDMDGSVVIWDLQHKCIIRSFKANLSTFNMSSLLLSVDGRVVFGDQSYLRVVNPWTAKYERSVQLLPPSSVNMRNPNSSNSSHLSALLRRWIKELVPLGITGGDFESSKSSELYLITNRNDEQEKLSPIISMKMPIRTGGSYVISIADGGRILVVVPVSTIKFD
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low44.4Very low217 Ų217141.5 Ų141.5100%1.06973%0.733SS**  0-55.40-148.4172.6-167.100112.7L3 F4M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-F4 WeakPolarHBondContact O-CB 3.3Å; M1-F4 PolarHBondContact O-N 3.27Å
2S35.5Very low46.6Very low100 Ų100137.9 Ų137.970%0.69972%0.722SS**THydrogen-bonded Turntrans-56.8-26.7-179.646.70000116.4S5S2-S5 PolarHBondContact O-OG 3.34Å
3L37.4Very low48.4Very low153 Ų153135.2 Ų135.280%0.80171%0.707SS**THydrogen-bonded Turntrans-73.3-23.4173.7-84.3159.6000113.8M1M1-L3 VanDerWaalsContact C-N 3.26Å; M1-L3 PolarHBondContact O-N 3.49Å; M1-L3 VanDerWaalsContact O-N 3.15Å
4F39.9Very low50.2Low178 Ų178130.2 Ų130.278%0.78168%0.681SS**THydrogen-bonded Turntrans-79.8-21.7-179.9-112.9-94.3000112.9M1 R6M1-F4 WeakPolarHBondContact O-CB 3.3Å; M1-F4 PolarHBondContact O-N 3.27Å; F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.4Å
5S43.9Very low52.1Low96 Ų96127.5 Ų127.567%0.67166%0.664SS**THydrogen-bonded Turntrans-90.329.7-174.567.30000114.1S2S2-S5 PolarHBondContact O-OG 3.34Å
6R43.2Very low53.9Low219 Ų219130.1 Ų130.183%0.82666%0.662SS**THydrogen-bonded Turntrans-130-3.1179.9-83.4-169.8172-172.2-2.5115.2F4F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.4Å
7F47Very low55.5Low180 Ų180129.6 Ų129.679%0.78966%0.655SS**SBendtrans-128.44.8-164.3-91.4-74.6000117
8L40.8Very low57.2Low128 Ų128125.3 Ų125.367%0.6763%0.631SS**SBendtrans-137.5150.1173.6-80.999.2000112.6S10L8-S10 PolarHBondContact O-N 2.99Å
9P47.5Very low58.8Low116 Ų116125.2 Ų125.275%0.75363%0.631SS**  trans-77.453.8174.335.5-37.6000111.4D11P9-D11 PolarHBondContact O-N 3.36Å
10S54.4Low60.3Low58 Ų58126.4 Ų126.441%0.40663%0.632SS.*Hα-helixtrans-68.8-29.7-168.748.30000114.8L8 V12 L13 L14L8-S10 PolarHBondContact O-N 2.99Å; S10-V12 PolarHBondContact O-N 3.47Å; S10-L13 WeakPolarHBondContact O-CB 3.22Å; S10-L13 PolarHBondContact O-N 3.06Å; S10-L13 VanDerWaalsContact O-N 3.14Å; S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 PolarHBondContact O-N 3Å
11D61.7Low61.7Low112 Ų112122 Ų12260%0.59961%0.61SS**Hα-helixtrans-70.1-37.8-161-58.9-12.1000112.4P9 L13 L14 E15P9-D11 PolarHBondContact O-N 3.36Å; D11-L13 VanDerWaalsContact C-N 3.32Å; D11-L13 PolarHBondContact O-N 3.02Å; D11-L14 WeakPolarHBondContact O-CB 3.31Å; D11-L14 PolarHBondContact O-N 3.07Å; D11-E15 PolarHBondContact O-N 3.21Å
12V70.2Confident64.2Low98 Ų98113.2 Ų113.259%0.59457%0.571SS**Hα-helixtrans-65.8-35.1175.8-178.20000111.6S10 R16S10-V12 PolarHBondContact O-N 3.47Å; V12-R16 WeakPolarHBondContact O-CB 3.39Å; V12-R16 VanDerWaalsContact O-CG 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.22Å; V12-R16 PolarHBondContact O-N 3.4Å
13L70.8Confident66.8Low102 Ų102117.2 Ų117.253%0.53457%0.571SS.*Hα-helixtrans-70.9-41.8172.8-69.4174000110.6S10 D11 E15 R16 F17S10-L13 WeakPolarHBondContact O-CB 3.22Å; S10-L13 PolarHBondContact O-N 3.06Å; S10-L13 VanDerWaalsContact O-N 3.14Å; D11-L13 VanDerWaalsContact C-N 3.32Å; D11-L13 PolarHBondContact O-N 3.02Å; L13-E15 PolarHBondContact O-N 3.08Å; L13-R16 PolarHBondContact O-N 2.99Å; L13-F17 VanDerWaalsContact O-CD2 3.31Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3.28Å
14L72.6Confident69.4Low66 Ų66114.6 Ų114.635%0.34656%0.56SS.*Hα-helixtrans-60.6-45.4179.6-16173.7000111.9S10 D11 F17 K18 W417S10-L14 WeakPolarHBondContact O-CB 3.41Å; S10-L14 PolarHBondContact O-N 3Å; D11-L14 WeakPolarHBondContact O-CB 3.31Å; D11-L14 PolarHBondContact O-N 3.07Å; L14-F17 PolarHBondContact O-N 3.39Å; L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 3.38Å; L14-W417 HydrophobicContact CD1-CH2 3.51Å; L14-W417 HydrophobicContact CD1-CZ2 3.72Å; L14-W417 HydrophobicContact CD2-CZ2 4.47Å; L14-W417 HydrophobicContact CG-CH2 4.21Å; L14-W417 HydrophobicContact CG-CZ2 4.12Å
15E79.5Confident71.9Confident90 Ų90107 Ų10742%0.42153%0.527SS..Hα-helixtrans-65.6-39174.5-63.6-46.9136.700112.5D11 L13 F17 K18 L19D11-E15 PolarHBondContact O-N 3.21Å; L13-E15 PolarHBondContact O-N 3.08Å; E15-F17 VanDerWaalsContact C-N 3.32Å; E15-F17 PolarHBondContact O-N 3.38Å; E15-K18 PolarHBondContact O-N 3.33Å; E15-K18 IonicContact OE1-NZ 2.61Å; E15-K18 PolarHBondContact OE1-NZ 3.05Å; E15-K18 WeakPolarHBondContact OE2-CD 3.49Å; E15-K18 IonicContact OE2-NZ 3.44Å; E15-K18 PolarHBondContact OE2-NZ 3.23Å; E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.07Å
16R80.4Confident74.3Confident168 Ų168106.1 Ų106.163%0.63451%0.509SS*.Hα-helixtrans-63.1-36.9173.5-75.6175.9176.1-159-0.6112.4V12 L13 K20V12-R16 WeakPolarHBondContact O-CB 3.39Å; V12-R16 VanDerWaalsContact O-CG 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.22Å; V12-R16 PolarHBondContact O-N 3.4Å; L13-R16 PolarHBondContact O-N 2.99Å; R16-K20 WeakPolarHBondContact O-CG 3.47Å; R16-K20 PolarHBondContact O-N 3.38Å
17F81.6Confident76.6Confident122 Ų122100.3 Ų100.354%0.53550%0.495SS..Hα-helixtrans-70.5-45.7174.1-88.7-73.9000112.1L13 L14 E15 L19 K20 I21L13-F17 VanDerWaalsContact O-CD2 3.31Å; L13-F17 WeakPolarHBondContact O-CD2 3.49Å; L13-F17 PolarHBondContact O-N 3.28Å; L14-F17 PolarHBondContact O-N 3.39Å; E15-F17 VanDerWaalsContact C-N 3.32Å; E15-F17 PolarHBondContact O-N 3.38Å; F17-L19 PolarHBondContact O-N 3.11Å; F17-K20 PolarHBondContact O-N 3.2Å; F17-I21 VanDerWaalsContact O-CG1 3.32Å; F17-I21 WeakPolarHBondContact O-CG1 3.35Å; F17-I21 PolarHBondContact O-N 3.47Å
18K85.9Confident78.8Confident53 Ų5393.6 Ų93.623%0.2347%0.466CS..Hα-helixtrans-52.2-51173.4-77.5164.9171.3-176.90112.1L14 E15 K20 I21 S22 W417L14-K18 WeakPolarHBondContact O-CG 3.32Å; L14-K18 PolarHBondContact O-N 3.38Å; E15-K18 PolarHBondContact O-N 3.33Å; E15-K18 IonicContact OE1-NZ 2.61Å; E15-K18 PolarHBondContact OE1-NZ 3.05Å; E15-K18 WeakPolarHBondContact OE2-CD 3.49Å; E15-K18 IonicContact OE2-NZ 3.44Å; E15-K18 PolarHBondContact OE2-NZ 3.23Å; K18-K20 PolarHBondContact O-N 3.03Å; K18-I21 PolarHBondContact O-N 3.1Å; K18-S22 VanDerWaalsContact O-CB 3.3Å; K18-S22 WeakPolarHBondContact O-CB 3.41Å; K18-S22 PolarHBondContact O-N 3.02Å; K18-W417 HydrophobicContact CB-CE3 4.48Å; K18-W417 HydrophobicContact CD-CD2 4.37Å; K18-W417 HydrophobicContact CD-CG 4.48Å; K18-W417 HydrophobicContact CG-CB 4.28Å; K18-W417 HydrophobicContact CG-CD2 3.44Å; K18-W417 VanDerWaalsContact CG-CD2 3.44Å; K18-W417 HydrophobicContact CG-CE3 3.61Å; K18-W417 HydrophobicContact CG-CG 3.73Å; K18-W417 HydrophobicContact CG-CZ2 4.43Å; K18-W417 HydrophobicContact CG-CZ3 4.18Å
19L87.3Confident81.2Confident122 Ų12287.5 Ų87.564%0.63943%0.434SS*.Hα-helixtrans-64.4-37.6-179.1-72.1167.9000112.6E15 F17 R23E15-L19 WeakPolarHBondContact O-CB 3.39Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.07Å; F17-L19 PolarHBondContact O-N 3.11Å; L19-R23 WeakPolarHBondContact O-CB 3.45Å; L19-R23 PolarHBondContact O-N 3.02Å
20K88.9Confident83.3Confident149 Ų14984.4 Ų84.465%0.64841%0.411SS*.Hα-helixtrans-64-48.8172.9-78.3-179.1175-171.80111.8R16 F17 K18 R23 V24R16-K20 WeakPolarHBondContact O-CG 3.47Å; R16-K20 PolarHBondContact O-N 3.38Å; F17-K20 PolarHBondContact O-N 3.2Å; K18-K20 PolarHBondContact O-N 3.03Å; K20-R23 PolarHBondContact O-N 3.04Å; K20-V24 WeakPolarHBondContact O-CG2 3.25Å; K20-V24 PolarHBondContact O-N 3.16Å
21I89.3Confident85.1Confident34 Ų3487.2 Ų87.217%0.17442%0.416CS..Hα-helixtrans-61.3-46.9179.4-69162.9000110.4F17 K18 R23 V24 Y25 W417 T420F17-I21 VanDerWaalsContact O-CG1 3.32Å; F17-I21 WeakPolarHBondContact O-CG1 3.35Å; F17-I21 PolarHBondContact O-N 3.47Å; K18-I21 PolarHBondContact O-N 3.1Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 3.29Å; I21-V24 PolarHBondContact O-N 3.37Å; I21-Y25 HydrophobicContact CG2-CD2 4.01Å; I21-Y25 HydrophobicContact CG2-CE2 3.99Å; I21-Y25 WeakPolarHBondContact O-CD2 3.32Å; I21-Y25 PolarHBondContact O-N 2.92Å; I21-W417 HydrophobicContact CD1-CE3 3.9Å; I21-W417 HydrophobicContact CD1-CZ3 3.93Å; I21-T420 HydrophobicContact CD1-CG2 4.29Å
22S89.7Confident86.5Confident34 Ų3481.9 Ų81.924%0.23839%0.387CS..Hα-helixtrans-60.2-40.2177.5-172.90000112.5K18 Y25 Y26 S413 S416K18-S22 VanDerWaalsContact O-CB 3.3Å; K18-S22 WeakPolarHBondContact O-CB 3.41Å; K18-S22 PolarHBondContact O-N 3.02Å; S22-Y25 PolarHBondContact O-N 3.31Å; S22-Y26 WeakPolarHBondContact O-CB 3.47Å; S22-Y26 PolarHBondContact O-N 3.37Å; S22-S413 PolarHBondContact OG-O 3.45Å; S22-S416 VanDerWaalsContact CA-OG 3.31Å; S22-S416 WeakPolarHBondContact CA-OG 3.2Å
23R91.4Very high87.4Confident184 Ų18477.4 Ų77.469%0.69436%0.36SS*.Hα-helixtrans-66.5-39.4174.3-176.9173.8-69.9-177-2.7113.2L19 K20 I21 Y26 N27L19-R23 WeakPolarHBondContact O-CB 3.45Å; L19-R23 PolarHBondContact O-N 3.02Å; K20-R23 PolarHBondContact O-N 3.04Å; I21-R23 VanDerWaalsContact C-N 3.34Å; I21-R23 PolarHBondContact O-N 3.29Å; R23-Y26 PolarHBondContact O-N 3.45Å; R23-N27 PolarHBondContact O-N 3.05Å; R23-N27 PolarHBondContact O-OD1 2.98Å
24V91.5Very high88.3Confident97 Ų9774 Ų7459%0.58835%0.345SS*.Hα-helixtrans-62.9-46.8174.4170.60000110.3K20 I21 Y26 N27 H28K20-V24 WeakPolarHBondContact O-CG2 3.25Å; K20-V24 PolarHBondContact O-N 3.16Å; I21-V24 PolarHBondContact O-N 3.37Å; V24-Y26 PolarHBondContact O-N 2.71Å; V24-N27 PolarHBondContact O-N 3.21Å; V24-H28 VanDerWaalsContact O-CB 3.3Å; V24-H28 WeakPolarHBondContact O-CB 3.2Å; V24-H28 PolarHBondContact O-N 3.49Å
25Y92.6Very high89.1Confident20 Ų2075.7 Ų75.78%0.07835%0.351CS..Hα-helixtrans-63.4-40.2178.1-89.5-121.1000112.6I21 S22 H28 G29 L412 T420 L460I21-Y25 HydrophobicContact CG2-CD2 4.01Å; I21-Y25 HydrophobicContact CG2-CE2 3.99Å; I21-Y25 WeakPolarHBondContact O-CD2 3.32Å; I21-Y25 PolarHBondContact O-N 2.92Å; S22-Y25 PolarHBondContact O-N 3.31Å; Y25-H28 PolarHBondContact O-N 3.23Å; Y25-G29 PolarHBondContact O-N 3.37Å; Y25-L412 HydrophobicContact CD1-CD1 3.58Å; Y25-L412 HydrophobicContact CD1-CG 3.73Å; Y25-L412 HydrophobicContact CE1-CD1 4.06Å; Y25-L412 HydrophobicContact CG-CG 4.38Å; Y25-L412 WeakPolarHBondContact O-CD2 3.38Å; Y25-T420 PolarHBondContact OH-OG1 3.41Å; Y25-L460 HydrophobicContact CE1-CD2 3.81Å
26Y93.7Very high89.6Confident77 Ų7772.4 Ų72.430%0.30234%0.337SS..Hα-helixtrans-60.5-50.3174.2-177.8-90.3000111.8S22 R23 V24 H28 G29 L30 A409S22-Y26 WeakPolarHBondContact O-CB 3.47Å; S22-Y26 PolarHBondContact O-N 3.37Å; R23-Y26 PolarHBondContact O-N 3.45Å; V24-Y26 PolarHBondContact O-N 2.71Å; Y26-H28 VanDerWaalsContact C-N 3.3Å; Y26-H28 PolarHBondContact O-N 2.72Å; Y26-G29 PolarHBondContact O-N 2.96Å; Y26-L30 WeakPolarHBondContact O-CB 3.09Å; Y26-L30 PolarHBondContact O-N 3.25Å; Y26-A409 HydrophobicContact CD2-CB 3.68Å; Y26-A409 HydrophobicContact CE2-CB 3.76Å; Y26-A409 HydrophobicContact CG-CB 4.1Å; Y26-A409 WeakPolarHBondContact O-CB 3.5Å
27N92.7Very high89.9Confident96 Ų9667.5 Ų67.551%0.51333%0.333SS..Hα-helixtrans-61.5-39.2177.4-71.74.3000111.8R23 V24 L30 F31R23-N27 PolarHBondContact O-N 3.05Å; R23-N27 PolarHBondContact O-OD1 2.98Å; V24-N27 PolarHBondContact O-N 3.21Å; N27-L30 PolarHBondContact O-N 3.5Å; N27-F31 WeakPolarHBondContact O-CB 3.49Å; N27-F31 PolarHBondContact O-N 3Å
28H91.9Very high90.4Very high40 Ų4065 Ų6519%0.18533%0.329CS..Hα-helixtrans-64-46.9177.1-174.6-104.2000112.2V24 Y25 Y26 L30 F31 I32 F461V24-H28 VanDerWaalsContact O-CB 3.3Å; V24-H28 WeakPolarHBondContact O-CB 3.2Å; V24-H28 PolarHBondContact O-N 3.49Å; Y25-H28 PolarHBondContact O-N 3.23Å; Y26-H28 VanDerWaalsContact C-N 3.3Å; Y26-H28 PolarHBondContact O-N 2.72Å; H28-L30 VanDerWaalsContact C-N 3.33Å; H28-L30 PolarHBondContact O-N 3.44Å; H28-F31 PolarHBondContact O-N 2.98Å; H28-I32 WeakPolarHBondContact CE1-CD1 3.29Å; H28-I32 WeakPolarHBondContact O-CB 3.42Å; H28-I32 PolarHBondContact O-N 3.31Å; H28-F461 AromaticContact NE2-CD1 3.97Å; H28-F461 AromaticContact NE2-CE1 3.46Å; H28-F461 WeakPolarHBondContact NE2-CE1 3.2Å; H28-F461 AromaticContact NE2-CE2 3.94Å; H28-F461 AromaticContact NE2-CZ 3.45Å; H28-F461 WeakPolarHBondContact NE2-CZ 3.23Å
29G91.1Very high90.7Very high0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-62.9-38175.700000113Y25 Y26 S33Y25-G29 PolarHBondContact O-N 3.37Å; Y26-G29 PolarHBondContact O-N 2.96Å; G29-S33 VanDerWaalsContact O-CB 3.22Å; G29-S33 WeakPolarHBondContact O-CB 3.47Å; G29-S33 PolarHBondContact O-N 2.85Å
30L91.9Very high90.8Very high51 Ų5159.3 Ų59.327%0.26730%0.302SS..Hα-helixtrans-66.3-39.6175.9-178.461.5000112.5Y26 N27 H28 S34 K405 Y406 A409Y26-L30 WeakPolarHBondContact O-CB 3.09Å; Y26-L30 PolarHBondContact O-N 3.25Å; N27-L30 PolarHBondContact O-N 3.5Å; H28-L30 VanDerWaalsContact C-N 3.33Å; H28-L30 PolarHBondContact O-N 3.44Å; L30-S34 VanDerWaalsContact O-CB 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 3.33Å; L30-S34 VanDerWaalsContact O-N 3.15Å; L30-S34 PolarHBondContact O-OG 3.46Å; L30-K405 HydrophobicContact CD1-CB 4.1Å; L30-Y406 HydrophobicContact CD1-CE1 4.31Å; L30-A409 HydrophobicContact CB-CB 4.23Å
31F91.7Very high90.9Very high116 Ų11656 Ų5651%0.50929%0.294SS..Hα-helixtrans-64.2-54.3174.2173.9-102.3000111.2N27 H28 S33 S34 H35 V39N27-F31 WeakPolarHBondContact O-CB 3.49Å; N27-F31 PolarHBondContact O-N 3Å; H28-F31 PolarHBondContact O-N 2.98Å; F31-S33 PolarHBondContact O-N 3.06Å; F31-S34 WeakPolarHBondContact O-CB 3.2Å; F31-S34 PolarHBondContact O-N 3.05Å; F31-S34 VanDerWaalsContact O-N 3.09Å; F31-H35 PolarHBondContact O-N 3.4Å; F31-V39 HydrophobicContact CE1-CG2 4.04Å
32I91.5Very high91Very high0 Ų058.5 Ų58.50%031%0.311CS..Hα-helixtrans-57.9-47.7179.9-77.8-173.4000111.9H28 S34 H35 P36 V39 L460 F461 V464 T465H28-I32 WeakPolarHBondContact CE1-CD1 3.29Å; H28-I32 WeakPolarHBondContact O-CB 3.42Å; H28-I32 PolarHBondContact O-N 3.31Å; I32-S34 PolarHBondContact O-N 3.44Å; I32-H35 CarbonylContact O-C 3.58Å; I32-H35 PolarHBondContact O-N 3.24Å; I32-P36 WeakPolarHBondContact O-CA 3.35Å; I32-P36 WeakPolarHBondContact O-CD 3.35Å; I32-V39 HydrophobicContact CD1-CG1 4.43Å; I32-V39 HydrophobicContact CG1-CG1 4.27Å; I32-V39 HydrophobicContact CG1-CG2 4.38Å; I32-L460 VanDerWaalsContact CD1-O 3.24Å; I32-L460 WeakPolarHBondContact CD1-O 3.27Å; I32-F461 HydrophobicContact CD1-CD1 4.44Å; I32-V464 HydrophobicContact CG2-CG1 4.15Å; I32-T465 HydrophobicContact CG2-CG2 3.93Å; I32-T465 WeakPolarHBondContact CG2-OG1 3.43Å
33S89.4Confident91.2Very high4 Ų457.1 Ų57.13%0.02830%0.301CS..Hα-helixtrans-70.6-19.2-179.8-165.50000113G29 F31 K405 S468G29-S33 VanDerWaalsContact O-CB 3.22Å; G29-S33 WeakPolarHBondContact O-CB 3.47Å; G29-S33 PolarHBondContact O-N 2.85Å; F31-S33 PolarHBondContact O-N 3.06Å; S33-K405 WeakPolarHBondContact OG-CA 3.44Å; S33-S468 WeakPolarHBondContact CB-OG 3.07Å; S33-S468 PolarHBondContact OG-OG 3.41Å
34S89.1Confident91.1Very high31 Ų3150.4 Ų50.422%0.21728%0.282CS..Hα-helixtrans-80.6-34.8172-65.60000113.5L30 F31 I32 P36 K405L30-S34 VanDerWaalsContact O-CB 3.27Å; L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 3.33Å; L30-S34 VanDerWaalsContact O-N 3.15Å; L30-S34 PolarHBondContact O-OG 3.46Å; F31-S34 WeakPolarHBondContact O-CB 3.2Å; F31-S34 PolarHBondContact O-N 3.05Å; F31-S34 VanDerWaalsContact O-N 3.09Å; I32-S34 PolarHBondContact O-N 3.44Å; S34-P36 VanDerWaalsContact C-CD 3.47Å; S34-K405 WeakPolarHBondContact OG-CE 3.29Å; S34-K405 PolarHBondContact OG-NZ 3.22Å
35H90Very high91.1Very high102 Ų10251.2 Ų51.247%0.47228%0.281SS..  trans-130.356.2-174-56.4-74.7000113.1F31 I32 A37 P38 V39F31-H35 PolarHBondContact O-N 3.4Å; I32-H35 CarbonylContact O-C 3.58Å; I32-H35 PolarHBondContact O-N 3.24Å; H35-A37 PolarHBondContact O-N 3.4Å; H35-P38 HydrophobicContact CB-CG 3.86Å; H35-P38 VanDerWaalsContact O-CD 3.27Å; H35-P38 WeakPolarHBondContact O-CD 3.39Å; H35-P38 WeakPolarHBondContact O-CG 3.37Å; H35-V39 WeakPolarHBondContact O-CG2 3.4Å; H35-V39 PolarHBondContact O-N 3.34Å
36P89.6Confident91Very high20 Ų2053.2 Ų53.213%0.1329%0.293CS..Hα-helixtrans-67.6-32.7-171.826.2-35.2000114I32 S34 I40 T465 V469I32-P36 WeakPolarHBondContact O-CA 3.35Å; I32-P36 WeakPolarHBondContact O-CD 3.35Å; S34-P36 VanDerWaalsContact C-CD 3.47Å; P36-I40 WeakPolarHBondContact O-CB 3.44Å; P36-I40 WeakPolarHBondContact O-CG1 3.49Å; P36-I40 PolarHBondContact O-N 3.23Å; P36-T465 HydrophobicContact CB-CG2 3.61Å; P36-T465 WeakPolarHBondContact O-CG2 3.12Å; P36-V469 HydrophobicContact CB-CG2 3.71Å; P36-V469 HydrophobicContact CG-CG2 4.15Å
37A88.2Confident90.8Very high66 Ų6650.6 Ų50.655%0.54528%0.284SS..Hα-helixtrans-61.5-57.7178.900000113.6H35 V39 I40 T41H35-A37 PolarHBondContact O-N 3.4Å; A37-V39 VanDerWaalsContact C-N 3.28Å; A37-V39 PolarHBondContact O-N 3.27Å; A37-I40 PolarHBondContact O-N 3.18Å; A37-T41 PolarHBondContact O-N 2.85Å; A37-T41 PolarHBondContact O-OG1 3.4Å
38P91.3Very high90.6Very high70 Ų7052 Ų5246%0.45529%0.29SS..Hα-helixtrans-66.5-26.8179.126.1-35.8000113.5H35 T41 T42H35-P38 HydrophobicContact CB-CG 3.86Å; H35-P38 VanDerWaalsContact O-CD 3.27Å; H35-P38 WeakPolarHBondContact O-CD 3.39Å; H35-P38 WeakPolarHBondContact O-CG 3.37Å; P38-T41 WeakPolarHBondContact CA-OG1 3.23Å; P38-T41 PolarHBondContact O-OG1 2.94Å; P38-T42 WeakPolarHBondContact O-CB 3.46Å; P38-T42 WeakPolarHBondContact O-CG2 3.07Å; P38-T42 PolarHBondContact O-N 2.92Å; P38-T42 PolarHBondContact O-OG1 2.9Å
39V91.7Very high90.5Very high8 Ų857.2 Ų57.25%0.04831%0.313CS..Hα-helixtrans-68.2-45.9172.3174.50000110.6F31 I32 H35 A37 T41 T42 V43 F461 T465F31-V39 HydrophobicContact CE1-CG2 4.04Å; I32-V39 HydrophobicContact CD1-CG1 4.43Å; I32-V39 HydrophobicContact CG1-CG1 4.27Å; I32-V39 HydrophobicContact CG1-CG2 4.38Å; H35-V39 WeakPolarHBondContact O-CG2 3.4Å; H35-V39 PolarHBondContact O-N 3.34Å; A37-V39 VanDerWaalsContact C-N 3.28Å; A37-V39 PolarHBondContact O-N 3.27Å; V39-T41 PolarHBondContact O-N 3.44Å; V39-T42 PolarHBondContact O-OG1 3.09Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; V39-V43 HydrophobicContact CG1-CG2 4.37Å; V39-V43 WeakPolarHBondContact O-CB 3.08Å; V39-V43 WeakPolarHBondContact O-CG2 3.26Å; V39-V43 PolarHBondContact O-N 2.89Å; V39-F461 WeakPolarHBondContact CG1-O 3.29Å; V39-T465 HydrophobicContact CB-CG2 4.18Å; V39-T465 HydrophobicContact CG1-CG2 4.09Å; V39-T465 WeakPolarHBondContact CG1-OG1 3.44Å
40I90.4Very high90.4Very high47 Ų4758.3 Ų58.324%0.24132%0.318CS..Hα-helixtrans-61.7-45.1176-72.4165.3000111.1P36 A37 V43 C44 T465 I466 V469P36-I40 WeakPolarHBondContact O-CB 3.44Å; P36-I40 WeakPolarHBondContact O-CG1 3.49Å; P36-I40 PolarHBondContact O-N 3.23Å; A37-I40 PolarHBondContact O-N 3.18Å; I40-V43 PolarHBondContact O-N 2.91Å; I40-C44 WeakPolarHBondContact O-CB 3.45Å; I40-C44 PolarHBondContact O-N 3.07Å; I40-C44 PolarHBondContact O-SG 3.31Å; I40-T465 HydrophobicContact CD1-CG2 3.9Å; I40-T465 HydrophobicContact CG1-CG2 3.65Å; I40-I466 HydrophobicContact CD1-CG1 4.4Å; I40-V469 HydrophobicContact CD1-CG2 4.45Å
41T90.4Very high90.1Very high79 Ų7957.5 Ų57.549%0.48532%0.317SS..Hα-helixtrans-66.5-44.7-178.156.30000112.6A37 P38 V39 V43 C44 I45A37-T41 PolarHBondContact O-N 2.85Å; A37-T41 PolarHBondContact O-OG1 3.4Å; P38-T41 WeakPolarHBondContact CA-OG1 3.23Å; P38-T41 PolarHBondContact O-OG1 2.94Å; V39-T41 PolarHBondContact O-N 3.44Å; T41-V43 PolarHBondContact O-N 2.9Å; T41-C44 PolarHBondContact O-N 3.34Å; T41-I45 WeakPolarHBondContact O-CD1 3.37Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 2.73Å
42T91.7Very high89.8Confident86 Ų8658.6 Ų58.653%0.52832%0.319SS..Hα-helixtrans-63-40.4177.549.10000112.4P38 V39 I45 L46P38-T42 WeakPolarHBondContact O-CB 3.46Å; P38-T42 WeakPolarHBondContact O-CG2 3.07Å; P38-T42 PolarHBondContact O-N 2.92Å; P38-T42 PolarHBondContact O-OG1 2.9Å; V39-T42 PolarHBondContact O-OG1 3.09Å; V39-T42 VanDerWaalsContact O-OG1 3.13Å; T42-I45 PolarHBondContact O-N 3.13Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 3.13Å
43V92.5Very high89.3Confident5 Ų559 Ų593%0.0332%0.321CS..Hα-helixtrans-67.8-41.8176.5175.90000111.8V39 I40 T41 I45 L46 M47 L458 F461 F462V39-V43 HydrophobicContact CG1-CG2 4.37Å; V39-V43 WeakPolarHBondContact O-CB 3.08Å; V39-V43 WeakPolarHBondContact O-CG2 3.26Å; V39-V43 PolarHBondContact O-N 2.89Å; I40-V43 PolarHBondContact O-N 2.91Å; T41-V43 PolarHBondContact O-N 2.9Å; V43-I45 VanDerWaalsContact C-N 3.35Å; V43-I45 PolarHBondContact O-N 2.85Å; V43-L46 PolarHBondContact O-N 3.36Å; V43-M47 HydrophobicContact CG1-CE 4.1Å; V43-M47 WeakPolarHBondContact O-CG 3.28Å; V43-M47 PolarHBondContact O-N 2.9Å; V43-L458 HydrophobicContact CG1-CD2 3.92Å; V43-F461 HydrophobicContact CG2-CB 3.75Å; V43-F462 HydrophobicContact CG1-CB 4.04Å; V43-F462 HydrophobicContact CG1-CD2 4.06Å; V43-F462 HydrophobicContact CG1-CG 4.48Å
44C90.1Very high88.7Confident43 Ų4361.1 Ų61.129%0.29133%0.332SS..Hα-helixtrans-63.5-38.6175.3-72.50000112.4I40 T41 M47 I48I40-C44 WeakPolarHBondContact O-CB 3.45Å; I40-C44 PolarHBondContact O-N 3.07Å; I40-C44 PolarHBondContact O-SG 3.31Å; T41-C44 PolarHBondContact O-N 3.34Å; C44-M47 PolarHBondContact O-N 3.33Å; C44-I48 WeakPolarHBondContact O-CD1 3.02Å; C44-I48 VanDerWaalsContact O-CG1 3.28Å; C44-I48 WeakPolarHBondContact O-CG1 3.38Å; C44-I48 PolarHBondContact O-N 2.98Å
45I91.6Very high87.9Confident114 Ų11464.7 Ų64.759%0.58535%0.353SS*.Hα-helixtrans-62.9-44.2174.1-69.4162.8000110.4T41 T42 V43 I48 F49T41-I45 WeakPolarHBondContact O-CD1 3.37Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.45Å; T41-I45 PolarHBondContact O-N 2.73Å; T42-I45 PolarHBondContact O-N 3.13Å; V43-I45 VanDerWaalsContact C-N 3.35Å; V43-I45 PolarHBondContact O-N 2.85Å; I45-I48 PolarHBondContact O-N 3Å; I45-F49 WeakPolarHBondContact O-CB 3.33Å; I45-F49 PolarHBondContact O-N 2.93Å
46L91.1Very high86.9Confident62 Ų6266 Ų6633%0.32536%0.359SS..Hα-helixtrans-65-40.4177.3-176.562.6000112.5T42 V43 F49 L50 F457T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 3.13Å; V43-L46 PolarHBondContact O-N 3.36Å; L46-F49 PolarHBondContact O-N 3.3Å; L46-L50 HydrophobicContact CD1-CD1 3.81Å; L46-L50 HydrophobicContact CD1-CG 4.08Å; L46-L50 HydrophobicContact CG-CD1 3.98Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.25Å; L46-L50 PolarHBondContact O-N 3.46Å; L46-F457 HydrophobicContact CD2-CE1 3.74Å; L46-F457 HydrophobicContact CD2-CZ 3.63Å
47M89.9Confident85.7Confident22 Ų2267.2 Ų67.211%0.10836%0.364CS..Hα-helixtrans-56.5-50.4171.6-74176.7174.800110.9V43 C44 L50 C51 A351 L458 F462V43-M47 HydrophobicContact CG1-CE 4.1Å; V43-M47 WeakPolarHBondContact O-CG 3.28Å; V43-M47 PolarHBondContact O-N 2.9Å; C44-M47 PolarHBondContact O-N 3.33Å; M47-L50 PolarHBondContact O-N 3.42Å; M47-C51 VanDerWaalsContact O-CB 3.28Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.43Å; M47-C51 PolarHBondContact O-SG 2.9Å; M47-A351 HydrophobicContact CE-CB 3.77Å; M47-A351 HydrophobicContact SD-CB 4.07Å; M47-L458 HydrophobicContact CE-CD1 4.02Å; M47-L458 HydrophobicContact CE-CD2 3.54Å; M47-L458 HydrophobicContact CE-CG 4.36Å; M47-L458 HydrophobicContact CG-CD2 4.27Å; M47-F462 HydrophobicContact CE-CB 4.17Å; M47-F462 HydrophobicContact CE-CD1 3.99Å; M47-F462 HydrophobicContact CE-CD2 3.59Å; M47-F462 HydrophobicContact CE-CE1 4.2Å; M47-F462 HydrophobicContact CE-CE2 3.83Å; M47-F462 HydrophobicContact CE-CG 3.67Å; M47-F462 HydrophobicContact CE-CZ 4.12Å; M47-F462 HydrophobicContact SD-CE2 4.42Å
48I87.9Confident83.9Confident126 Ų12668.5 Ų68.565%0.64637%0.366SS*.Hα-helixtrans-62.7-45.8-178.8-68.4163.8000110.8C44 I45 L50 C51 Y52C44-I48 WeakPolarHBondContact O-CD1 3.02Å; C44-I48 VanDerWaalsContact O-CG1 3.28Å; C44-I48 WeakPolarHBondContact O-CG1 3.38Å; C44-I48 PolarHBondContact O-N 2.98Å; I45-I48 PolarHBondContact O-N 3Å; I48-L50 PolarHBondContact O-N 3.4Å; I48-C51 PolarHBondContact O-N 2.75Å; I48-Y52 PolarHBondContact O-N 3.15Å
49F89.1Confident81.9Confident149 Ų14975.1 Ų75.165%0.65439%0.389SS*.Hα-helixtrans-59.7-44.8178.2179.9-100.1000112.3I45 L46 Y52I45-F49 WeakPolarHBondContact O-CB 3.33Å; I45-F49 PolarHBondContact O-N 2.93Å; L46-F49 PolarHBondContact O-N 3.3Å; F49-Y52 WeakPolarHBondContact O-CB 3.45Å; F49-Y52 PolarHBondContact O-N 3.38Å
50L89Confident79.6Confident23 Ų2379.4 Ų79.412%0.1241%0.414CS..Hα-helixtrans-78.9-16.4179.6-64.8176.2000113.8L46 M47 I48 P53 M355 G358 L359L46-L50 HydrophobicContact CD1-CD1 3.81Å; L46-L50 HydrophobicContact CD1-CG 4.08Å; L46-L50 HydrophobicContact CG-CD1 3.98Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.25Å; L46-L50 PolarHBondContact O-N 3.46Å; M47-L50 PolarHBondContact O-N 3.42Å; I48-L50 PolarHBondContact O-N 3.4Å; L50-P53 WeakPolarHBondContact O-CD 3.49Å; L50-M355 HydrophobicContact CB-CG 3.98Å; L50-M355 HydrophobicContact CD1-CE 3.41Å; L50-M355 VanDerWaalsContact CD1-CE 3.41Å; L50-M355 HydrophobicContact CD1-CG 3.77Å; L50-M355 HydrophobicContact CD1-SD 4.25Å; L50-G358 WeakPolarHBondContact O-CA 3.19Å; L50-L359 HydrophobicContact CD2-CD2 3.79Å; L50-L359 HydrophobicContact CD2-CG 4.24Å
51C86.4Confident77Confident35 Ų3585.9 Ų85.924%0.23644%0.441CS..Hα-helixtrans-90.8-17171.9-64.50000113.3M47 I48 P53 L54M47-C51 VanDerWaalsContact O-CB 3.28Å; M47-C51 WeakPolarHBondContact O-CB 3.5Å; M47-C51 PolarHBondContact O-N 3.43Å; M47-C51 PolarHBondContact O-SG 2.9Å; I48-C51 PolarHBondContact O-N 2.75Å; C51-P53 VanDerWaalsContact C-N 3.31Å; C51-L54 HydrophobicContact CB-CD1 4.27Å; C51-L54 WeakPolarHBondContact O-CB 3.31Å; C51-L54 VanDerWaalsContact O-CD1 3.28Å; C51-L54 WeakPolarHBondContact O-CD1 3.48Å; C51-L54 PolarHBondContact O-N 2.95Å
52Y85.1Confident74.3Confident139 Ų13989 Ų8955%0.54545%0.45SS..G310 helixtrans-49-41175.7178.8-98.7000114.5I48 F49 L54 T55I48-Y52 PolarHBondContact O-N 3.15Å; F49-Y52 WeakPolarHBondContact O-CB 3.45Å; F49-Y52 PolarHBondContact O-N 3.38Å; Y52-L54 PolarHBondContact O-N 3.26Å; Y52-L54 VanDerWaalsContact O-N 3.1Å; Y52-T55 PolarHBondContact O-N 2.79Å; Y52-T55 PolarHBondContact O-OG1 2.78Å
53P81.6Confident71.4Confident9 Ų989.6 Ų89.66%0.05845%0.453CS..G310 helixtrans-58.6-23.9178.1-22.432.8000114.4L50 C51 T55 Q56 V361 T362L50-P53 WeakPolarHBondContact O-CD 3.49Å; C51-P53 VanDerWaalsContact C-N 3.31Å; P53-T55 PolarHBondContact O-N 3.42Å; P53-Q56 PolarHBondContact O-N 3.06Å; P53-Q56 VanDerWaalsContact O-N 3.09Å; P53-V361 HydrophobicContact CB-CB 4.24Å; P53-V361 HydrophobicContact CB-CG1 3.98Å; P53-T362 HydrophobicContact CB-CG2 3.95Å; P53-T362 HydrophobicContact CG-CG2 3.28Å
54L75.2Confident68.4Low47 Ų4794.3 Ų94.325%0.24648%0.484CS..G310 helixtrans-66.4-21.6176.4-72.9100.8000113.2C51 Y52 Q56 I57 F354 I357C51-L54 HydrophobicContact CB-CD1 4.27Å; C51-L54 WeakPolarHBondContact O-CB 3.31Å; C51-L54 VanDerWaalsContact O-CD1 3.28Å; C51-L54 WeakPolarHBondContact O-CD1 3.48Å; C51-L54 PolarHBondContact O-N 2.95Å; Y52-L54 PolarHBondContact O-N 3.26Å; Y52-L54 VanDerWaalsContact O-N 3.1Å; L54-Q56 PolarHBondContact O-N 3.49Å; L54-I57 HydrophobicContact CB-CD1 4.13Å; L54-I57 HydrophobicContact CD2-CD1 4.24Å; L54-I57 HydrophobicContact CG-CD1 3.94Å; L54-F354 WeakPolarHBondContact CD1-O 3.48Å; L54-F354 HydrophobicContact CD2-CD1 3.91Å; L54-I357 HydrophobicContact CD2-CB 4.2Å; L54-I357 HydrophobicContact CD2-CG2 3.77Å; L54-I357 HydrophobicContact CG-CG2 4.07Å
55T73.9Confident65.7Low107 Ų10798.6 Ų98.666%0.65650%0.502SS*.G310 helixtrans-76-13.617571.70000112.8Y52 P53Y52-T55 PolarHBondContact O-N 2.79Å; Y52-T55 PolarHBondContact O-OG1 2.78Å; P53-T55 PolarHBondContact O-N 3.42Å
56Q68.2Low63.1Low130 Ų130102.1 Ų102.161%0.60752%0.516SS*.G310 helixtrans-100.2-1.2178.2-59.9-175-2000112.9P53 L54 P58P53-Q56 PolarHBondContact O-N 3.06Å; P53-Q56 VanDerWaalsContact O-N 3.09Å; L54-Q56 PolarHBondContact O-N 3.49Å; Q56-P58 WeakPolarHBondContact O-CD 3.2Å
57I63.8Low60.4Low45 Ų45110.4 Ų110.423%0.23154%0.543CS..  trans-67.1119.2175.7-67.9174.6000108.8L54 F59 I357 V361 M367L54-I57 HydrophobicContact CB-CD1 4.13Å; L54-I57 HydrophobicContact CD2-CD1 4.24Å; L54-I57 HydrophobicContact CG-CD1 3.94Å; I57-F59 PolarHBondContact O-N 3.5Å; I57-I357 HydrophobicContact CD1-CG2 4.18Å; I57-V361 HydrophobicContact CD1-CG2 4.16Å; I57-V361 HydrophobicContact CG1-CG2 4.19Å; I57-M367 HydrophobicContact CG2-CE 4.01Å; I57-M367 HydrophobicContact CG2-SD 4.15Å
58P51.8Low57.8Low92 Ų92113.4 Ų113.460%0.59757%0.571SS**  trans-66.2125.1170.527.9-32.8000108.8Q56 V60Q56-P58 WeakPolarHBondContact O-CD 3.2Å; P58-V60 WeakPolarHBondContact O-CG2 3.31Å; P58-V60 PolarHBondContact O-N 3.41Å
59F49.8Very low55.2Low210 Ų210112 Ų11292%0.92157%0.568SS**  trans-60.7105.6169.8-88-89.7000108.6I57 K61I57-F59 PolarHBondContact O-N 3.5Å; F59-K61 PolarHBondContact O-N 2.88Å
60V43Very low52.7Low97 Ų97108.8 Ų108.859%0.58856%0.561SS**  trans-69.195.1-171-175.30000110.5P58 E62 V63 M367P58-V60 WeakPolarHBondContact O-CG2 3.31Å; P58-V60 PolarHBondContact O-N 3.41Å; V60-E62 PolarHBondContact O-N 2.82Å; V60-V63 HydrophobicContact CG1-CG2 4.05Å; V60-M367 HydrophobicContact CG2-CE 3.81Å
61K34.4Very low50.1Low184 Ų184113.6 Ų113.680%0.858%0.577SS**  trans-66.3113.8158.1-92.3-173.3169.4-173.50108.8F59 V63F59-K61 PolarHBondContact O-N 2.88Å; K61-V63 PolarHBondContact O-N 3.42Å; K61-V63 VanDerWaalsContact O-N 3.15Å
62E34.2Very low47.8Very low144 Ų144117.7 Ų117.767%0.67360%0.597SS**  trans40.262146.4-62.7174.3160.700115.5V60 R305V60-E62 PolarHBondContact O-N 2.82Å; E62-R305 IonicContact OE1-NE 3.84Å; E62-R305 IonicContact OE1-NH2 3.71Å
63V31.7Very low45.5Very low98 Ų98115.9 Ų115.959%0.59460%0.597SS**  trans-90.8123.8165.1179.60000108.8V60 K61 I65V60-V63 HydrophobicContact CG1-CG2 4.05Å; K61-V63 PolarHBondContact O-N 3.42Å; K61-V63 VanDerWaalsContact O-N 3.15Å; V63-I65 VanDerWaalsContact O-CG1 3.31Å; V63-I65 WeakPolarHBondContact O-CG1 3.3Å; V63-I65 PolarHBondContact O-N 3.04Å
64P29.8Very low43.5Very low104 Ų104119.4 Ų119.468%0.67561%0.612SS**  trans-67.1116.7-178.725.1-33000111.7H66P64-H66 VanDerWaalsContact C-N 3.33Å; P64-H66 PolarHBondContact O-N 2.78Å
65I33.6Very low41.6Very low133 Ų133121.7 Ų121.768%0.68262%0.621SS**  trans-85.667.4-168-46.3-177.1000112V63V63-I65 VanDerWaalsContact O-CG1 3.31Å; V63-I65 WeakPolarHBondContact O-CG1 3.3Å; V63-I65 PolarHBondContact O-N 3.04Å
66H35.7Very low39.9Very low188 Ų188121.7 Ų121.787%0.8761%0.613SS**  trans-131.940.1167.6-89.4-8.9000113.7P64 A68P64-H66 VanDerWaalsContact C-N 3.33Å; P64-H66 PolarHBondContact O-N 2.78Å; H66-A68 VanDerWaalsContact C-N 3.31Å; H66-A68 PolarHBondContact O-N 3.02Å
67R34.8Very low38.5Very low236 Ų236119.7 Ų119.789%0.89161%0.613SS**  trans-68.692.3153-77.9-172.4177.81750109.1V69R67-V69 PolarHBondContact O-N 2.66Å; R67-V69 VanDerWaalsContact O-N 3.17Å
68A34.2Very low37.3Very low85 Ų85122.1 Ų122.170%0.70262%0.622SS**  trans-62.2113.3161.200000108H66 V70H66-A68 VanDerWaalsContact C-N 3.31Å; H66-A68 PolarHBondContact O-N 3.02Å; A68-V70 VanDerWaalsContact C-N 3.3Å; A68-V70 PolarHBondContact O-N 3.14Å
69V34.4Very low36.4Very low96 Ų96123.2 Ų123.258%0.58262%0.618SS**  trans-73.389.6176.4-178.10000108.1R67 R71R67-V69 PolarHBondContact O-N 2.66Å; R67-V69 VanDerWaalsContact O-N 3.17Å; V69-R71 PolarHBondContact O-N 2.99Å
70V36Very low36Very low82 Ų82118.6 Ų118.650%0.49760%0.603SS.*  trans-55.6129165179.10000107.4A68 E74 F75A68-V70 VanDerWaalsContact C-N 3.3Å; A68-V70 PolarHBondContact O-N 3.14Å; V70-E74 HydrophobicContact CG1-CB 3.47Å; V70-E74 VanDerWaalsContact CG1-CB 3.47Å; V70-F75 HydrophobicContact CG1-CB 4.38Å
71R34.4Very low35.9Very low124 Ų124117.2 Ų117.247%0.46860%0.597SS.*  trans-65.9155-177.6-67.4174.9-72.8148-12.1110.6V69 D73 E74 F75V69-R71 PolarHBondContact O-N 2.99Å; R71-D73 IonicContact CZ-OD2 3.96Å; R71-D73 IonicContact NH1-OD2 3.5Å; R71-D73 PolarHBondContact NH1-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.05Å; R71-E74 HydrophobicContact CB-CB 4.47Å; R71-E74 HydrophobicContact CB-CG 4.36Å; R71-E74 WeakPolarHBondContact CB-OE2 3.48Å; R71-E74 WeakPolarHBondContact CG-OE2 3.12Å; R71-E74 IonicContact CZ-OE1 3.1Å; R71-E74 IonicContact CZ-OE2 3.7Å; R71-E74 PolarHBondContact N-OE2 3.28Å; R71-E74 VanDerWaalsContact NE-CD 3.26Å; R71-E74 IonicContact NE-OE1 3.56Å; R71-E74 PolarHBondContact NE-OE1 3.13Å; R71-E74 IonicContact NE-OE2 3.7Å; R71-E74 PolarHBondContact NE-OE2 3Å; R71-E74 IonicContact NH2-OE1 2.64Å; R71-E74 PolarHBondContact NH2-OE1 3.37Å; R71-E74 IonicContact NH2-OE2 2.74Å; R71-E74 CarbonylContact O-C 3.51Å; R71-E74 WeakPolarHBondContact O-CA 3.34Å; R71-E74 WeakPolarHBondContact O-CB 3.04Å; R71-E74 PolarHBondContact O-N 2.92Å; R71-F75 WeakPolarHBondContact O-CB 3.49Å; R71-F75 PolarHBondContact O-N 2.8Å
72D37.7Very low35.8Very low121 Ų121113.9 Ų113.965%0.64758%0.58SS**Hα-helixtrans-55.9-36.3172.8-74.1-59.9000111.9E74 F75 Q76D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.92Å; D72-F75 CarbonylContact O-C 3.56Å; D72-F75 PolarHBondContact O-N 2.9Å; D72-Q76 VanDerWaalsContact O-CB 3.23Å; D72-Q76 WeakPolarHBondContact O-CB 3.26Å; D72-Q76 VanDerWaalsContact O-CG 3.22Å; D72-Q76 WeakPolarHBondContact O-CG 3.24Å; D72-Q76 PolarHBondContact O-N 3.48Å; D72-Q76 PolarHBondContact O-OE1 2.96Å
73D38.7Very low35.9Very low101 Ų101116.3 Ų116.354%0.5458%0.584SS.*Hα-helixtrans-57.4-43.3173-30.9-46.3000112.5R71 S77R71-D73 IonicContact CZ-OD2 3.96Å; R71-D73 IonicContact NH1-OD2 3.5Å; R71-D73 PolarHBondContact NH1-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.05Å; D73-S77 PolarHBondContact O-N 3.44Å
74E37.7Very low36.2Very low83 Ų83117 Ų11739%0.38859%0.588SS.*Hα-helixtrans-75.8-36.1-179.7-68.9165.2149.800110.4V70 R71 D72 Q76 S77 F78V70-E74 HydrophobicContact CG1-CB 3.47Å; V70-E74 VanDerWaalsContact CG1-CB 3.47Å; R71-E74 HydrophobicContact CB-CB 4.47Å; R71-E74 HydrophobicContact CB-CG 4.36Å; R71-E74 WeakPolarHBondContact CB-OE2 3.48Å; R71-E74 WeakPolarHBondContact CG-OE2 3.12Å; R71-E74 IonicContact CZ-OE1 3.1Å; R71-E74 IonicContact CZ-OE2 3.7Å; R71-E74 PolarHBondContact N-OE2 3.28Å; R71-E74 VanDerWaalsContact NE-CD 3.26Å; R71-E74 IonicContact NE-OE1 3.56Å; R71-E74 PolarHBondContact NE-OE1 3.13Å; R71-E74 IonicContact NE-OE2 3.7Å; R71-E74 PolarHBondContact NE-OE2 3Å; R71-E74 IonicContact NH2-OE1 2.64Å; R71-E74 PolarHBondContact NH2-OE1 3.37Å; R71-E74 IonicContact NH2-OE2 2.74Å; R71-E74 CarbonylContact O-C 3.51Å; R71-E74 WeakPolarHBondContact O-CA 3.34Å; R71-E74 WeakPolarHBondContact O-CB 3.04Å; R71-E74 PolarHBondContact O-N 2.92Å; D72-E74 VanDerWaalsContact C-N 3.32Å; D72-E74 PolarHBondContact O-N 2.92Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; E74-S77 PolarHBondContact O-N 3.25Å; E74-F78 VanDerWaalsContact O-CB 3.26Å; E74-F78 WeakPolarHBondContact O-CB 3.33Å; E74-F78 PolarHBondContact O-N 2.89Å
75F36.4Very low36.2Very low96 Ų96119.2 Ų119.242%0.42159%0.587SS.*Hα-helixtrans-72.1-26.9175.6-167.2-105.8000112.6V70 R71 D72 F78 K79V70-F75 HydrophobicContact CG1-CB 4.38Å; R71-F75 WeakPolarHBondContact O-CB 3.49Å; R71-F75 PolarHBondContact O-N 2.8Å; D72-F75 CarbonylContact O-C 3.56Å; D72-F75 PolarHBondContact O-N 2.9Å; F75-F78 CarbonylContact O-C 3.57Å; F75-F78 WeakPolarHBondContact O-CA 3.36Å; F75-F78 WeakPolarHBondContact O-CB 3.36Å; F75-F78 PolarHBondContact O-N 2.76Å; F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 3.4Å
76Q38.2Very low36Very low107 Ų107118.6 Ų118.650%0.559%0.59SS.*Hα-helixtrans-77.9-40.7170.9-75.8174.8-57.300111.2D72 E74 F78 K79 D80D72-Q76 VanDerWaalsContact O-CB 3.23Å; D72-Q76 WeakPolarHBondContact O-CB 3.26Å; D72-Q76 VanDerWaalsContact O-CG 3.22Å; D72-Q76 WeakPolarHBondContact O-CG 3.24Å; D72-Q76 PolarHBondContact O-N 3.48Å; D72-Q76 PolarHBondContact O-OE1 2.96Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-F78 PolarHBondContact O-N 2.9Å; Q76-K79 CarbonylContact O-C 3.52Å; Q76-K79 WeakPolarHBondContact O-CA 3.49Å; Q76-K79 WeakPolarHBondContact O-CB 3.32Å; Q76-K79 PolarHBondContact O-N 3.47Å; Q76-D80 PolarHBondContact O-N 3.28Å
77S38.9Very low35.8Very low87 Ų87117.3 Ų117.361%0.60858%0.584SS**Hα-helixtrans-59.3-29.2164.7-170.90000112.2D73 E74 K79 S81D73-S77 PolarHBondContact O-N 3.44Å; E74-S77 PolarHBondContact O-N 3.25Å; S77-K79 VanDerWaalsContact C-N 3.32Å; S77-S81 PolarHBondContact O-N 2.81Å; S77-S81 PolarHBondContact O-OG 2.66Å
78F38.5Very low35.7Very low97 Ų97112.6 Ų112.643%0.42558%0.577SS.*Hα-helixtrans-86.45.5171.3-159.1-94.1000113.2E74 F75 Q76 S81 R82 H839E74-F78 VanDerWaalsContact O-CB 3.26Å; E74-F78 WeakPolarHBondContact O-CB 3.33Å; E74-F78 PolarHBondContact O-N 2.89Å; F75-F78 CarbonylContact O-C 3.57Å; F75-F78 WeakPolarHBondContact O-CA 3.36Å; F75-F78 WeakPolarHBondContact O-CB 3.36Å; F75-F78 PolarHBondContact O-N 2.76Å; Q76-F78 PolarHBondContact O-N 2.9Å; F78-S81 WeakPolarHBondContact CA-OG 3.37Å; F78-S81 PolarHBondContact O-OG 3.26Å; F78-R82 PolarHBondContact O-NE 3.43Å; F78-R82 PolarHBondContact O-NH2 3.07Å; F78-R82 VanDerWaalsContact O-NH2 3.16Å; F78-H839 AromaticContact CZ-CE1 3.79Å; F78-H839 AromaticContact CZ-NE2 3.55Å
79K33.3Very low35.9Very low115 Ų115114.9 Ų114.950%0.558%0.577SS.*Hα-helixtrans-112.7-40.7176.6-161.6171.8-174.6-178.90110.7F75 Q76 S77 S81 R82F75-K79 WeakPolarHBondContact O-CB 3.43Å; F75-K79 PolarHBondContact O-N 3.4Å; Q76-K79 CarbonylContact O-C 3.52Å; Q76-K79 WeakPolarHBondContact O-CA 3.49Å; Q76-K79 WeakPolarHBondContact O-CB 3.32Å; Q76-K79 PolarHBondContact O-N 3.47Å; S77-K79 VanDerWaalsContact C-N 3.32Å; K79-S81 PolarHBondContact O-N 3.47Å; K79-R82 VanDerWaalsContact O-CB 3.28Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 WeakPolarHBondContact O-CG 3.49Å; K79-R82 PolarHBondContact O-N 3.3Å
80D40.5Very low35.9Very low113 Ų113118.3 Ų118.360%0.60459%0.587SS**Hα-helixtrans-67.1-23.4170.7-58.9-20.8000111.3Q76 R82 Y83Q76-D80 PolarHBondContact O-N 3.28Å; D80-R82 VanDerWaalsContact C-N 3.26Å; D80-R82 PolarHBondContact O-N 2.92Å; D80-Y83 WeakPolarHBondContact O-CD2 3.48Å
81S41.2Very low36Very low68 Ų68121 Ų12148%0.47660%0.598SS.*THydrogen-bonded Turntrans-73.8-6.7168.768.50000114.8S77 F78 K79S77-S81 PolarHBondContact O-N 2.81Å; S77-S81 PolarHBondContact O-OG 2.66Å; F78-S81 WeakPolarHBondContact CA-OG 3.37Å; F78-S81 PolarHBondContact O-OG 3.26Å; K79-S81 PolarHBondContact O-N 3.47Å
82R32.5Very low36.5Very low114 Ų114123.1 Ų123.143%0.4361%0.611SS.*THydrogen-bonded Turntrans-85-5.6-178.6-57.6179.4-153.8171.316.5113.6F78 K79 D80 V84F78-R82 PolarHBondContact O-NE 3.43Å; F78-R82 PolarHBondContact O-NH2 3.07Å; F78-R82 VanDerWaalsContact O-NH2 3.16Å; K79-R82 VanDerWaalsContact O-CB 3.28Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 WeakPolarHBondContact O-CG 3.49Å; K79-R82 PolarHBondContact O-N 3.3Å; D80-R82 VanDerWaalsContact C-N 3.26Å; D80-R82 PolarHBondContact O-N 2.92Å; R82-V84 PolarHBondContact O-N 2.86Å
83Y36Very low37.1Very low194 Ų194119.1 Ų119.176%0.76159%0.592SS**THydrogen-bonded Turntrans-73.19.2-178.3-78.3-75.1000115.6D80D80-Y83 WeakPolarHBondContact O-CD2 3.48Å
84V37.5Very low38Very low113 Ų113116.5 Ų116.569%0.68558%0.578SS**THydrogen-bonded Turntrans-110.7-15.8-176.6-177.10000113.3R82R82-V84 PolarHBondContact O-N 2.86Å
85F29.6Very low39.3Very low150 Ų150112.5 Ų112.566%0.65856%0.56SS**  trans-123.498.4179.5-66.1-76.8000110.5V836F85-V836 HydrophobicContact CE2-CG1 4.31Å; F85-V836 HydrophobicContact CZ-CG1 4.26Å
86T29.8Very low41Very low120 Ų120110.8 Ų110.874%0.73655%0.551SS**  trans-97.2149.6179.550.90000112
87H31.3Very low42.7Very low161 Ų161105.9 Ų105.975%0.74553%0.528SS*.SBendtrans77.4116.8176.9-79.8-85.2000117.9
88D32.9Very low44.7Very low138 Ų138102.4 Ų102.474%0.73850%0.502SS*.  trans60.675.5133.3-46.8-17.4000119.6
89D39.3Very low46.7Very low133 Ų13398.4 Ų98.471%0.71149%0.485SS*.  -165.5142.6123.1-133.79.6000112K92D89-K92 IonicContact OD2-NZ 3.77Å; D89-K92 PolarHBondContact OD2-NZ 3.44Å
90E34Very low49Very low167 Ų16793 Ų9378%0.7846%0.461SS*.  trans-87.9133173.3-68-163.6149.300111.8
91N38.1Very low51Low139 Ų13987.8 Ų87.874%0.74343%0.434SS*.  trans61.798.5173-47.8-74.2000117.1
92K45.3Very low52.7Low169 Ų16984.6 Ų84.674%0.73541%0.411SS*.  trans-150131.7146.8-86.5108.7-169.6167.30112.7D89D89-K92 IonicContact OD2-NZ 3.77Å; D89-K92 PolarHBondContact OD2-NZ 3.44Å
93S49.6Very low54.9Low36 Ų3680.8 Ų80.825%0.25240%0.398SS..  trans-76.2152.7148.347.90000109.1G95 Y96S93-G95 PolarHBondContact O-N 3.49Å; S93-Y96 WeakPolarHBondContact OG-CE2 3.45Å; S93-Y96 PolarHBondContact OG-OH 2.77Å
94L56.5Low56.8Low46 Ų4671.5 Ų71.524%0.24136%0.362CS..SBendtrans-64.7-32.2-178.5-16272000112.5F156 L833 L835 C838 H839L94-F156 WeakPolarHBondContact O-CE2 3.33Å; L94-L833 HydrophobicContact CD2-CB 4.48Å; L94-L835 HydrophobicContact CD2-CD2 3.81Å; L94-C838 HydrophobicContact CB-CB 4.17Å; L94-C838 HydrophobicContact CD1-CB 4.17Å; L94-H839 PolarHBondContact N-O 3.17Å
95G65.9Low58.4Low0 Ų069 Ų690%034%0.342CS..EExtended strand (participates in β ladder)trans169.7170.8175.700000112.3S93 F250 A841S93-G95 PolarHBondContact O-N 3.49Å; G95-F250 CarbonylContact C-O 3.49Å; G95-F250 VanDerWaalsContact CA-O 3.28Å; G95-F250 WeakPolarHBondContact CA-O 3.38Å; G95-A841 PolarHBondContact O-N 2.89Å
96Y71.2Confident60.3Low59 Ų5962.2 Ų62.223%0.23131%0.312CS..EExtended strand (participates in β ladder)trans-114.7143.3175.1-60.4-94.7000109.6S93 V249 F250 Y253 A841 L843S93-Y96 WeakPolarHBondContact OG-CE2 3.45Å; S93-Y96 PolarHBondContact OG-OH 2.77Å; Y96-V249 WeakPolarHBondContact O-CA 3.49Å; Y96-F250 PolarHBondContact N-O 2.76Å; Y96-F250 PolarHBondContact O-N 2.81Å; Y96-Y253 HydrophobicContact CD1-CD2 4.07Å; Y96-Y253 HydrophobicContact CD1-CG 4.08Å; Y96-Y253 VanDerWaalsContact CE1-CB 3.45Å; Y96-Y253 HydrophobicContact CE1-CD2 4.49Å; Y96-Y253 HydrophobicContact CE1-CG 4.07Å; Y96-A841 CarbonylContact C-O 3.45Å; Y96-A841 WeakPolarHBondContact CA-O 3.43Å; Y96-A841 HydrophobicContact CD1-CB 3.33Å; Y96-A841 HydrophobicContact CE1-CB 3.57Å; Y96-A841 HydrophobicContact CG-CB 4.14Å; Y96-L843 HydrophobicContact CD1-CD2 4.45Å
97M75.2Confident62.2Low5 Ų557.7 Ų57.73%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-134.9119.4-165.1176.6165.9-105.900111.7T247 V249 W824 L827 L840 A841 L842 L843M97-T247 HydrophobicContact CE-CG2 3.78Å; M97-T247 HydrophobicContact CG-CG2 4.48Å; M97-V249 HydrophobicContact CE-CG2 3.6Å; M97-W824 HydrophobicContact CE-CD2 4.49Å; M97-W824 HydrophobicContact CE-CE3 3.55Å; M97-W824 HydrophobicContact CE-CH2 4.35Å; M97-W824 HydrophobicContact CE-CZ3 3.49Å; M97-W824 VanDerWaalsContact CE-CZ3 3.49Å; M97-W824 HydrophobicContact CG-CH2 4.05Å; M97-W824 HydrophobicContact CG-CZ3 4.11Å; M97-W824 HydrophobicContact SD-CD2 3.63Å; M97-W824 HydrophobicContact SD-CE3 3.18Å; M97-W824 HydrophobicContact SD-CH2 3.54Å; M97-W824 VanDerWaalsContact SD-CH2 3.54Å; M97-W824 HydrophobicContact SD-CZ2 3.91Å; M97-W824 HydrophobicContact SD-CZ3 3.16Å; M97-W824 WeakPolarHBondContact SD-CZ3 3.49Å; M97-L827 HydrophobicContact CE-CD2 3.56Å; M97-L840 HydrophobicContact SD-CD2 3.92Å; M97-A841 PolarHBondContact N-O 2.99Å; M97-L842 HydrophobicContact CB-CD2 4.15Å; M97-L842 HydrophobicContact CG-CD2 4.08Å; M97-L842 HydrophobicContact SD-CD2 3.79Å; M97-L843 WeakPolarHBondContact O-CB 3.21Å; M97-L843 PolarHBondContact O-N 3.34Å
98L80.3Confident63.9Low13 Ų1351 Ų517%0.06825%0.254CS..EExtended strand (participates in β ladder)trans-113.2136.2-178.3-17465.4000110L248 F250 F258 L843 E844 V846L98-L248 HydrophobicContact CB-CB 4.4Å; L98-L248 HydrophobicContact CD2-CD1 4.39Å; L98-L248 PolarHBondContact N-O 3.4Å; L98-L248 PolarHBondContact O-N 2.84Å; L98-F250 HydrophobicContact CB-CE2 3.99Å; L98-F250 HydrophobicContact CD2-CE2 4.37Å; L98-F258 HydrophobicContact CD2-CD1 4.07Å; L98-F258 HydrophobicContact CD2-CE1 4.13Å; L98-L843 HydrophobicContact CB-CD1 4.29Å; L98-L843 HydrophobicContact CD1-CB 4.03Å; L98-L843 HydrophobicContact CD1-CD1 4.46Å; L98-E844 WeakPolarHBondContact CD1-O 3.48Å; L98-V846 HydrophobicContact CD1-CG2 4.34Å
99Q81.1Confident65.2Low13 Ų1350.6 Ų50.66%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-111.1132.8168.6-70.7-165.3-51.400111.2V101 A245 L246 W824 P845 V846Q99-V101 HydrophobicContact CB-CG2 4.23Å; Q99-A245 HydrophobicContact CB-CB 4.38Å; Q99-L246 CarbonylContact C-O 3.48Å; Q99-L246 VanDerWaalsContact CA-O 3.29Å; Q99-L246 WeakPolarHBondContact CA-O 3.45Å; Q99-W824 HydrophobicContact CG-CH2 3.85Å; Q99-P845 HydrophobicContact CB-CB 4.21Å; Q99-P845 CarbonylContact O-C 3.45Å; Q99-P845 VanDerWaalsContact O-CA 3.29Å; Q99-P845 WeakPolarHBondContact O-CA 3.32Å; Q99-V846 PolarHBondContact O-N 3.09Å
100I81.9Confident66.1Low1 Ų147.1 Ų47.11%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-104.895.5168.3-53.1173.6000107.1V134 A245 L246 L248 L265 V846 L848I100-V134 HydrophobicContact CD1-CG2 4.34Å; I100-A245 WeakPolarHBondContact O-CA 3.46Å; I100-L246 HydrophobicContact CB-CB 4Å; I100-L246 HydrophobicContact CD1-CD2 4.18Å; I100-L246 PolarHBondContact N-O 3Å; I100-L246 PolarHBondContact O-N 3.39Å; I100-L248 HydrophobicContact CD1-CD1 3.89Å; I100-L265 HydrophobicContact CD1-CD1 3.82Å; I100-V846 CarbonylContact C-O 3.53Å; I100-V846 WeakPolarHBondContact CA-O 3.28Å; I100-V846 HydrophobicContact CG1-CB 4.44Å; I100-V846 HydrophobicContact CG2-CB 4.47Å; I100-L848 HydrophobicContact CG2-CD1 3.59Å; I100-L848 HydrophobicContact CG2-CG 4.06Å
101V80.9Confident67.4Low4 Ų442.7 Ų42.72%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-87112.3-176.4177.40000109.4Q99 H103 F223 A245 P845 V846 H847 L848Q99-V101 HydrophobicContact CB-CG2 4.23Å; V101-H103 WeakPolarHBondContact CG1-NE2 3.46Å; V101-F223 HydrophobicContact CG1-CE2 3.83Å; V101-F223 HydrophobicContact CG1-CZ 3.78Å; V101-F223 HydrophobicContact CG2-CE2 4.17Å; V101-F223 HydrophobicContact CG2-CZ 4.1Å; V101-A245 HydrophobicContact CG2-CB 4.08Å; V101-P845 HydrophobicContact CG2-CB 3.98Å; V101-V846 PolarHBondContact N-O 2.89Å; V101-H847 WeakPolarHBondContact CB-ND1 3.41Å; V101-H847 WeakPolarHBondContact O-CA 3.16Å; V101-L848 PolarHBondContact O-N 3.17Å
102T78.3Confident68.3Low1 Ų140.9 Ų40.91%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-92.814817669.70000111.6I130 T243 Y244 L848 Y850T102-I130 HydrophobicContact CG2-CD1 3.75Å; T102-T243 VanDerWaalsContact O-CA 3.29Å; T102-T243 WeakPolarHBondContact O-CA 3.31Å; T102-Y244 HydrophobicContact CG2-CD2 4.18Å; T102-Y244 HydrophobicContact CG2-CE2 3.58Å; T102-Y244 PolarHBondContact N-O 3.23Å; T102-Y244 PolarHBondContact O-N 2.99Å; T102-Y244 WeakPolarHBondContact OG1-CD1 3.48Å; T102-Y244 VanDerWaalsContact OG1-CD2 3.28Å; T102-Y244 WeakPolarHBondContact OG1-CD2 3.32Å; T102-Y244 WeakPolarHBondContact OG1-CE1 2.98Å; T102-Y244 WeakPolarHBondContact OG1-CE2 3.4Å; T102-Y244 VanDerWaalsContact OG1-CG 3.25Å; T102-Y244 PolarHBondContact OG1-O 2.97Å; T102-Y244 VanDerWaalsContact OG1-O 3.13Å; T102-L848 CarbonylContact C-O 3.58Å; T102-L848 WeakPolarHBondContact CA-O 3.46Å; T102-L848 HydrophobicContact CG2-CB 4.42Å; T102-Y850 HydrophobicContact CG2-CE2 4.16Å
103H78.2Confident68.9Low34 Ų3435.6 Ų35.616%0.15719%0.185CC..EExtended strand (participates in β ladder)trans-130.887.7177.6-66.7-99.6000110.5V101 T243 W810 H847 L848 K849 Y850V101-H103 WeakPolarHBondContact CG1-NE2 3.46Å; H103-T243 HydrophobicContact CB-CG2 4.41Å; H103-T243 WeakPolarHBondContact ND1-CG2 3.27Å; H103-W810 AromaticContact CE1-CE2 3.74Å; H103-W810 AromaticContact CE1-CZ2 3.43Å; H103-W810 VanDerWaalsContact CE1-CZ2 3.43Å; H103-W810 WeakPolarHBondContact CE1-CZ2 3.37Å; H103-W810 AromaticContact ND1-CZ2 3.56Å; H103-H847 AromaticContact NE2-ND1 3.52Å; H103-L848 PolarHBondContact CD2-O 3.04Å; H103-L848 PolarHBondContact N-O 3Å; H103-K849 HydrophobicContact CB-CB 4.33Å; H103-K849 HydrophobicContact CB-CG 4.15Å; H103-K849 WeakPolarHBondContact O-CA 3.37Å; H103-Y850 PolarHBondContact O-N 2.76Å
104S75Confident69.4Low0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-90108.9-179.7-71.20000111.3I106 Q126 V242S104-I106 PolarHBondContact O-N 2.99Å; S104-Q126 PolarHBondContact OG-NE2 2.72Å; S104-Q126 PolarHBondContact OG-OE1 3.36Å; S104-V242 PolarHBondContact N-O 2.92Å; S104-V242 PolarHBondContact O-N 3.5Å
105K71.1Confident69.7Low60 Ų6041 Ų4126%0.26121%0.205SC..EExtended strand (participates in β ladder)trans-84.5107.3173.9-171.1-175-171.2-173.60110.2I107 E239 T241 Y850 K851 L852K105-I107 HydrophobicContact CD-CD1 4.42Å; K105-I107 HydrophobicContact CG-CG1 4.42Å; K105-E239 VanDerWaalsContact CE-OE1 3.25Å; K105-E239 WeakPolarHBondContact CE-OE1 3.32Å; K105-E239 VanDerWaalsContact CE-OE2 3.23Å; K105-E239 WeakPolarHBondContact CE-OE2 3.48Å; K105-E239 IonicContact NZ-OE1 3.34Å; K105-E239 PolarHBondContact NZ-OE1 3.47Å; K105-E239 IonicContact NZ-OE2 2.69Å; K105-E239 PolarHBondContact NZ-OE2 3.44Å; K105-T241 HydrophobicContact CB-CG2 4.37Å; K105-T241 HydrophobicContact CG-CG2 4.27Å; K105-Y850 PolarHBondContact N-O 3.37Å; K105-K851 CarbonylContact O-C 3.55Å; K105-K851 VanDerWaalsContact O-CA 3.29Å; K105-K851 WeakPolarHBondContact O-CA 3.44Å; K105-L852 PolarHBondContact O-N 2.85Å
106I70.8Confident69.6Low8 Ų842.8 Ų42.84%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-83.9134.8172.9-58.3156000108.8S104 T108 T119 L123 E239 R240 V242 L852 I854S104-I106 PolarHBondContact O-N 2.99Å; I106-T108 HydrophobicContact CG2-CG2 4.25Å; I106-T119 HydrophobicContact CD1-CG2 3.65Å; I106-T119 HydrophobicContact CG1-CG2 4.28Å; I106-L123 HydrophobicContact CD1-CD1 4.46Å; I106-E239 WeakPolarHBondContact O-CA 3.38Å; I106-R240 PolarHBondContact N-O 3.05Å; I106-R240 PolarHBondContact O-N 3.5Å; I106-V242 HydrophobicContact CD1-CB 4.36Å; I106-V242 HydrophobicContact CD1-CG2 3.66Å; I106-L852 HydrophobicContact CG1-CB 4.43Å; I106-I854 HydrophobicContact CG2-CD1 3.62Å; I106-I854 HydrophobicContact CG2-CG1 4.26Å
107I68.9Low69.4Low24 Ų2445.1 Ų45.112%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-125.1127.7174.8-61.6170.4000108.8K105 R238 E239 K851 L852 I854K105-I107 HydrophobicContact CD-CD1 4.42Å; K105-I107 HydrophobicContact CG-CG1 4.42Å; I107-R238 WeakPolarHBondContact CA-O 3.32Å; I107-E239 HydrophobicContact CG1-CG 4.36Å; I107-K851 HydrophobicContact CD1-CD 4.39Å; I107-K851 HydrophobicContact CD1-CG 4.04Å; I107-L852 PolarHBondContact N-O 2.81Å; I107-I854 PolarHBondContact O-N 3.01Å
108T66.4Low69Low22 Ų2251.3 Ų51.314%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-120.4143.5178.957.20000110.7I106 T110 R238 I854I106-T108 HydrophobicContact CG2-CG2 4.25Å; T108-T110 VanDerWaalsContact C-N 3.33Å; T108-T110 VanDerWaalsContact CB-O 3.24Å; T108-T110 WeakPolarHBondContact CB-O 3.43Å; T108-T110 PolarHBondContact OG1-O 3.09Å; T108-R238 PolarHBondContact N-O 3.22Å; T108-R238 VanDerWaalsContact N-O 3.1Å; T108-I854 HydrophobicContact CG2-CB 4.37Å; T108-I854 HydrophobicContact CG2-CD1 4.27Å
109K60.4Low68.3Low128 Ų12851.1 Ų51.156%0.55726%0.258SS*.SBendtrans-61.9-44.3175.1-70.7-178.8178.11770110.8R238K109-R238 PolarHBondContact O-NE 3.16Å; K109-R238 PolarHBondContact O-NH2 3.25Å
110T59.5Low67.9Low61 Ų6152.2 Ų52.237%0.37426%0.264SS..SBendtrans-100143.4177.959.40000111.5T108 K112 D856T108-T110 VanDerWaalsContact C-N 3.33Å; T108-T110 VanDerWaalsContact CB-O 3.24Å; T108-T110 WeakPolarHBondContact CB-O 3.43Å; T108-T110 PolarHBondContact OG1-O 3.09Å; T110-K112 PolarHBondContact O-N 2.89Å; T110-K112 WeakPolarHBondContact OG1-CE 3.16Å; T110-D856 PolarHBondContact N-OD2 3.1Å; T110-D856 PolarHBondContact OG1-OD2 2.84Å
111P60Low67.4Low74 Ų7454 Ų5448%0.48128%0.276SS..  trans-7982.4177.632.3-34.3000111.1C236 R238P111-C236 HydrophobicContact CB-CB 4.46Å; P111-C236 PolarHBondContact O-SG 3.31Å; P111-C236 VanDerWaalsContact O-SG 3.37Å; P111-R238 HydrophobicContact CB-CG 4.39Å
112K58.5Low67.1Low100 Ų10058 Ų5844%0.43529%0.294SS..  trans-80.7132.5178.5-68.8177.3171.1175.90111.3T110 D856T110-K112 PolarHBondContact O-N 2.89Å; T110-K112 WeakPolarHBondContact OG1-CE 3.16Å; K112-D856 WeakPolarHBondContact CE-OD1 3.49Å; K112-D856 IonicContact NZ-OD1 3.65Å; K112-D856 PolarHBondContact NZ-OD1 3.02Å
113C57Low66.9Low59 Ų5958.4 Ų58.440%0.39930%0.296SS..SBendtrans-80.4-30.9172.8-83.30000112C236C113-C236 WeakPolarHBondContact CA-SG 3.27Å; C113-C236 HydrophobicContact CB-CB 4.35Å; C113-C236 WeakPolarHBondContact CB-SG 3.43Å; C113-C236 PolarHBondContact N-SG 3.49Å; C113-C236 VanDerWaalsContact SG-CA 3.52Å; C113-C236 WeakPolarHBondContact SG-CB 3.35Å; C113-C236 PolarHBondContact SG-N 3.35Å; C113-C236 VanDerWaalsContact SG-N 3.36Å; C113-C236 CovalentContact SG-SG 2.03Å; C113-C236 PolarHBondContact SG-SG 3.34Å
114H60.8Low67Low153 Ų15356.9 Ų56.971%0.70829%0.289SS*.SBendtrans-88.3133.3174-62.9-78.5000110.6
115I63.1Low67.1Low41 Ų4161.7 Ų61.721%0.2131%0.311CS..PPolyproline II helixtrans-76.1133.6168.3-61.3162.8000107.2T119 I120 L230I115-T119 HydrophobicContact CG2-CG2 3.71Å; I115-I120 HydrophobicContact CG2-CD1 4.32Å; I115-I120 HydrophobicContact CG2-CG1 3.78Å; I115-L230 HydrophobicContact CD1-CD2 3.89Å
116S64Low67.4Low38 Ų3859.3 Ų59.327%0.26630%0.301SS..PPolyproline II helixtrans-69.5154.1176.881.50000111.2E118 T119 I120S116-E118 WeakPolarHBondContact CB-OE2 3.35Å; S116-E118 PolarHBondContact O-N 2.87Å; S116-E118 PolarHBondContact OG-OE2 3.48Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.07Å; S116-T119 VanDerWaalsContact O-N 3.12Å; S116-T119 PolarHBondContact OG-N 2.89Å; S116-T119 PolarHBondContact OG-OG1 2.98Å; S116-I120 PolarHBondContact O-N 2.94Å
117H65.1Low67.9Low108 Ų10858.9 Ų58.950%0.530%0.299SS..Hα-helixtrans-55.7-42.8175-179.9-102.2000111.2T119 I120 V121H117-T119 VanDerWaalsContact C-N 3.28Å; H117-T119 PolarHBondContact O-N 3.47Å; H117-I120 PolarHBondContact O-N 3Å; H117-I120 VanDerWaalsContact O-N 3.13Å; H117-V121 WeakPolarHBondContact O-CG2 3.33Å; H117-V121 PolarHBondContact O-N 3.48Å
118E66.7Low68.6Low136 Ų13660 Ų6064%0.63631%0.305SS*.Hα-helixtrans-60.6-36.9178.7-45.1123.1151.800112S116 I120 V121 H122S116-E118 WeakPolarHBondContact CB-OE2 3.35Å; S116-E118 PolarHBondContact O-N 2.87Å; S116-E118 PolarHBondContact OG-OE2 3.48Å; E118-I120 VanDerWaalsContact C-N 3.3Å; E118-I120 PolarHBondContact O-N 3.46Å; E118-V121 PolarHBondContact O-N 3.22Å; E118-H122 VanDerWaalsContact O-CB 3.29Å; E118-H122 WeakPolarHBondContact O-CB 3.4Å; E118-H122 PolarHBondContact O-N 2.71Å
119T67.1Low69.3Low8 Ų862.1 Ų62.15%0.04931%0.313CS..Hα-helixtrans-62.9-39.4178.3-51.10000111.3I106 I115 S116 H117 L123 I854I106-T119 HydrophobicContact CD1-CG2 3.65Å; I106-T119 HydrophobicContact CG1-CG2 4.28Å; I115-T119 HydrophobicContact CG2-CG2 3.71Å; S116-T119 WeakPolarHBondContact O-CB 3.43Å; S116-T119 PolarHBondContact O-N 3.07Å; S116-T119 VanDerWaalsContact O-N 3.12Å; S116-T119 PolarHBondContact OG-N 2.89Å; S116-T119 PolarHBondContact OG-OG1 2.98Å; H117-T119 VanDerWaalsContact C-N 3.28Å; H117-T119 PolarHBondContact O-N 3.47Å; T119-L123 HydrophobicContact CG2-CD1 4.39Å; T119-L123 WeakPolarHBondContact O-CD1 3.5Å; T119-L123 VanDerWaalsContact O-CG 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.46Å; T119-L123 PolarHBondContact O-N 3.3Å; T119-L123 VanDerWaalsContact O-N 3.17Å; T119-I854 HydrophobicContact CG2-CD1 4.05Å; T119-I854 VanDerWaalsContact OG1-CD1 3.24Å; T119-I854 WeakPolarHBondContact OG1-CD1 3.35Å
120I72.1Confident70.2Confident36 Ų3656.2 Ų56.219%0.18529%0.288CS..Hα-helixtrans-70.9-44.5177-62177.9000110I115 S116 H117 E118 H122 L123 L124 I208I115-I120 HydrophobicContact CG2-CD1 4.32Å; I115-I120 HydrophobicContact CG2-CG1 3.78Å; S116-I120 PolarHBondContact O-N 2.94Å; H117-I120 PolarHBondContact O-N 3Å; H117-I120 VanDerWaalsContact O-N 3.13Å; E118-I120 VanDerWaalsContact C-N 3.3Å; E118-I120 PolarHBondContact O-N 3.46Å; I120-H122 PolarHBondContact O-N 3.36Å; I120-L123 PolarHBondContact O-N 3.38Å; I120-L124 HydrophobicContact CG2-CD1 4.04Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.22Å; I120-L124 PolarHBondContact O-N 3.41Å; I120-I208 HydrophobicContact CG2-CD1 3.71Å
121V72.1Confident71.4Confident40 Ų4053.9 Ų53.924%0.24227%0.274CS..Hα-helixtrans-59.1-45.4176.3174.10000111.2H117 E118 L123 L124 Q125 V204H117-V121 WeakPolarHBondContact O-CG2 3.33Å; H117-V121 PolarHBondContact O-N 3.48Å; E118-V121 PolarHBondContact O-N 3.22Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.21Å; V121-L124 PolarHBondContact O-N 2.91Å; V121-Q125 WeakPolarHBondContact O-CB 3.38Å; V121-Q125 PolarHBondContact O-N 3.02Å; V121-V204 HydrophobicContact CG2-CG2 4.41Å
122H73.1Confident72.6Confident88 Ų8854.6 Ų54.641%0.40727%0.27SS..Hα-helixtrans-62.5-37.3177.9-171.4-30.3000112.2E118 I120 Q126E118-H122 VanDerWaalsContact O-CB 3.29Å; E118-H122 WeakPolarHBondContact O-CB 3.4Å; E118-H122 PolarHBondContact O-N 2.71Å; I120-H122 PolarHBondContact O-N 3.36Å; H122-Q126 WeakPolarHBondContact O-CB 3.49Å; H122-Q126 PolarHBondContact O-N 2.91Å
123L75.3Confident73.7Confident8 Ų849.9 Ų49.94%0.04225%0.25CS..Hα-helixtrans-68.7-38.2174.9-74.3162.6000112.4I106 T119 I120 V121 S127 L230 V242 Y244I106-L123 HydrophobicContact CD1-CD1 4.46Å; T119-L123 HydrophobicContact CG2-CD1 4.39Å; T119-L123 WeakPolarHBondContact O-CD1 3.5Å; T119-L123 VanDerWaalsContact O-CG 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.46Å; T119-L123 PolarHBondContact O-N 3.3Å; T119-L123 VanDerWaalsContact O-N 3.17Å; I120-L123 PolarHBondContact O-N 3.38Å; V121-L123 VanDerWaalsContact C-N 3.34Å; V121-L123 PolarHBondContact O-N 3.21Å; L123-S127 PolarHBondContact O-N 3.13Å; L123-L230 HydrophobicContact CD1-CD2 3.84Å; L123-V242 HydrophobicContact CD1-CB 4.35Å; L123-V242 HydrophobicContact CD1-CG1 3.86Å; L123-V242 HydrophobicContact CD1-CG2 4.3Å; L123-V242 HydrophobicContact CD2-CB 4.43Å; L123-V242 HydrophobicContact CD2-CG1 4Å; L123-Y244 HydrophobicContact CD2-CE1 4.27Å
124L79.1Confident75Confident3 Ų347.1 Ų47.12%0.01623%0.231CC..Hα-helixtrans-67.6-43.2175.5-65.1170.6000110.9I120 V121 S127 N128 P186 L189 L190 V204I120-L124 HydrophobicContact CG2-CD1 4.04Å; I120-L124 HydrophobicContact CG2-CG 4.44Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.22Å; I120-L124 PolarHBondContact O-N 3.41Å; V121-L124 PolarHBondContact O-N 2.91Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 PolarHBondContact O-OG 3.34Å; L124-N128 PolarHBondContact O-N 2.87Å; L124-P186 HydrophobicContact CD2-CB 3.85Å; L124-P186 VanDerWaalsContact CD2-O 3.25Å; L124-P186 WeakPolarHBondContact CD2-O 3.33Å; L124-L189 HydrophobicContact CD2-CB 4.36Å; L124-L189 HydrophobicContact CD2-CD1 4.36Å; L124-L190 HydrophobicContact CB-CD1 3.59Å; L124-L190 HydrophobicContact CB-CD2 4.28Å; L124-L190 HydrophobicContact CB-CG 3.79Å; L124-L190 HydrophobicContact CD1-CD2 4.32Å; L124-L190 HydrophobicContact CD1-CG 4.28Å; L124-V204 HydrophobicContact CD1-CG1 3.79Å
125Q78.9Confident76.1Confident100 Ų10043.7 Ų43.747%0.46722%0.215SC..Hα-helixtrans-60.7-46173.2-178.9-179.9-22.800111.7V121 S127 N128 E129V121-Q125 WeakPolarHBondContact O-CB 3.38Å; V121-Q125 PolarHBondContact O-N 3.02Å; Q125-S127 PolarHBondContact O-N 3.12Å; Q125-N128 WeakPolarHBondContact O-CA 3.36Å; Q125-N128 VanDerWaalsContact O-CB 3.3Å; Q125-N128 WeakPolarHBondContact O-CB 3.49Å; Q125-N128 PolarHBondContact O-N 3.31Å; Q125-E129 PolarHBondContact NE2-OE1 3.24Å; Q125-E129 PolarHBondContact O-N 3.05Å
126Q76.8Confident77.1Confident10 Ų1046.7 Ų46.75%0.04723%0.228CC..Hα-helixtrans-58-35.6174.6-173.7-171.98.700112S104 H122 I130 Y850S104-Q126 PolarHBondContact OG-NE2 2.72Å; S104-Q126 PolarHBondContact OG-OE1 3.36Å; H122-Q126 WeakPolarHBondContact O-CB 3.49Å; H122-Q126 PolarHBondContact O-N 2.91Å; Q126-I130 WeakPolarHBondContact O-CG1 3.27Å; Q126-Y850 VanDerWaalsContact NE2-CE2 3.33Å
127S82Confident78Confident0 Ų045.3 Ų45.30%022%0.218CC..Hα-helixtrans-73.9-26.3173.172.10000113.5L123 L124 Q125 V131 S187 Y244L123-S127 PolarHBondContact O-N 3.13Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 PolarHBondContact O-OG 3.34Å; Q125-S127 PolarHBondContact O-N 3.12Å; S127-V131 WeakPolarHBondContact O-CG2 3.39Å; S127-V131 PolarHBondContact O-N 3.37Å; S127-S187 WeakPolarHBondContact OG-CA 3.29Å; S127-S187 WeakPolarHBondContact OG-CB 3.27Å; S127-S187 PolarHBondContact OG-N 3.02Å; S127-Y244 PolarHBondContact N-OH 3.06Å
128N82.8Confident78.8Confident46 Ų4646.4 Ų46.425%0.24622%0.221CC..Hα-helixtrans-72.3-41.2174.2-169.574.9000111.9L124 Q125 I130 V131 E132L124-N128 PolarHBondContact O-N 2.87Å; Q125-N128 WeakPolarHBondContact O-CA 3.36Å; Q125-N128 VanDerWaalsContact O-CB 3.3Å; Q125-N128 WeakPolarHBondContact O-CB 3.49Å; Q125-N128 PolarHBondContact O-N 3.31Å; N128-I130 VanDerWaalsContact C-N 3.27Å; N128-I130 PolarHBondContact O-N 2.91Å; N128-V131 WeakPolarHBondContact O-CB 3.22Å; N128-V131 PolarHBondContact O-N 2.92Å; N128-V131 VanDerWaalsContact O-N 3.09Å; N128-E132 PolarHBondContact ND2-OE1 2.94Å; N128-E132 PolarHBondContact O-N 3.25Å
129E80.2Confident79.3Confident67 Ų6740.4 Ų40.431%0.31319%0.194SC..Hα-helixtrans-57.4-39.5174.8-69.7166.6-166.400112.2Q125 L133Q125-E129 PolarHBondContact NE2-OE1 3.24Å; Q125-E129 PolarHBondContact O-N 3.05Å; E129-L133 WeakPolarHBondContact O-CG 3.44Å; E129-L133 PolarHBondContact O-N 3.41Å; E129-L133 VanDerWaalsContact O-N 3.08Å
130I80.9Confident79.2Confident4 Ų443.9 Ų43.92%0.02122%0.219CC..Hα-helixtrans-70.3-37.9176.3-58.7167.3000111T102 Q126 N128 L133 V134 L246 L848T102-I130 HydrophobicContact CG2-CD1 3.75Å; Q126-I130 WeakPolarHBondContact O-CG1 3.27Å; N128-I130 VanDerWaalsContact C-N 3.27Å; N128-I130 PolarHBondContact O-N 2.91Å; I130-L133 PolarHBondContact O-N 2.89Å; I130-V134 WeakPolarHBondContact O-CG2 3.39Å; I130-V134 PolarHBondContact O-N 3.33Å; I130-L246 HydrophobicContact CG2-CD2 4.13Å; I130-L848 HydrophobicContact CD1-CD1 4.45Å
131V84.4Confident78.6Confident13 Ų1344.2 Ų44.28%0.07923%0.231CC..Hα-helixtrans-61.3-45.4173.7159.40000111.4S127 N128 L133 V134 H135 M183 A185 L246S127-V131 WeakPolarHBondContact O-CG2 3.39Å; S127-V131 PolarHBondContact O-N 3.37Å; N128-V131 WeakPolarHBondContact O-CB 3.22Å; N128-V131 PolarHBondContact O-N 2.92Å; N128-V131 VanDerWaalsContact O-N 3.09Å; V131-L133 PolarHBondContact O-N 3.45Å; V131-V134 PolarHBondContact O-N 3.37Å; V131-H135 PolarHBondContact O-N 3.5Å; V131-H135 VanDerWaalsContact O-N 3.16Å; V131-M183 HydrophobicContact CB-CE 4.38Å; V131-M183 HydrophobicContact CG1-CE 3.68Å; V131-M183 HydrophobicContact CG2-CE 4.01Å; V131-M183 HydrophobicContact CG2-SD 3.94Å; V131-A185 HydrophobicContact CG2-CB 3.71Å; V131-L246 HydrophobicContact CG2-CD1 3.76Å; V131-L246 HydrophobicContact CG2-CD2 4.39Å
132E84.2Confident78.1Confident88 Ų8846.5 Ų46.541%0.41124%0.242SC..Hα-helixtrans-62.8-40.7177-74177.1-165.100111.9N128 V134 H135 Q136N128-E132 PolarHBondContact ND2-OE1 2.94Å; N128-E132 PolarHBondContact O-N 3.25Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.91Å; E132-H135 PolarHBondContact O-N 2.85Å; E132-Q136 VanDerWaalsContact O-CB 3.27Å; E132-Q136 WeakPolarHBondContact O-CB 3.45Å; E132-Q136 WeakPolarHBondContact O-CG 3.45Å; E132-Q136 PolarHBondContact O-N 3.48Å
133L83.2Confident77.3Confident2 Ų252 Ų521%0.0127%0.268CS..Hα-helixtrans-63.1-35.2174-73.2170.5000112.9E129 I130 V131 Q136 F137 Y264 L265 M269E129-L133 WeakPolarHBondContact O-CG 3.44Å; E129-L133 PolarHBondContact O-N 3.41Å; E129-L133 VanDerWaalsContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 2.89Å; V131-L133 PolarHBondContact O-N 3.45Å; L133-Q136 PolarHBondContact O-N 2.91Å; L133-F137 PolarHBondContact O-N 3.3Å; L133-Y264 HydrophobicContact CB-CE1 4.33Å; L133-Y264 HydrophobicContact CD2-CE1 4.07Å; L133-Y264 WeakPolarHBondContact O-CE1 3.39Å; L133-L265 HydrophobicContact CB-CD2 3.97Å; L133-L265 HydrophobicContact CD1-CD2 4.49Å; L133-M269 HydrophobicContact CD1-CG 4.39Å; L133-M269 HydrophobicContact CD1-SD 3.53Å; L133-M269 VanDerWaalsContact CD1-SD 3.53Å
134V83.9Confident76.5Confident0 Ų056.4 Ų56.40%030%0.299CS..Hα-helixtrans-68.8-39.4176.9171.10000111.8I100 I130 V131 E132 F151 L246 L248I100-V134 HydrophobicContact CD1-CG2 4.34Å; I130-V134 WeakPolarHBondContact O-CG2 3.39Å; I130-V134 PolarHBondContact O-N 3.33Å; V131-V134 PolarHBondContact O-N 3.37Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.91Å; V134-F151 HydrophobicContact CG1-CB 4.26Å; V134-F151 HydrophobicContact CG1-CD1 4.17Å; V134-F151 HydrophobicContact CG1-CD2 4.05Å; V134-F151 HydrophobicContact CG1-CE2 4.5Å; V134-F151 HydrophobicContact CG1-CG 3.89Å; V134-L246 HydrophobicContact CG2-CD2 4.35Å; V134-L248 HydrophobicContact CG1-CD1 4.2Å; V134-L248 HydrophobicContact CG1-CD2 4.06Å; V134-L248 HydrophobicContact CG2-CD1 4.3Å
135H84Confident75.6Confident81 Ų8158.4 Ų58.438%0.37531%0.312SS..Hα-helixtrans-77-26.8174.1-74.9-75000113.6V131 E132 F137 F151 D152 M183V131-H135 PolarHBondContact O-N 3.5Å; V131-H135 VanDerWaalsContact O-N 3.16Å; E132-H135 PolarHBondContact O-N 2.85Å; H135-F137 VanDerWaalsContact C-N 3.29Å; H135-F151 AromaticContact CE1-CD1 3.9Å; H135-D152 IonicContact CE1-OD1 3.52Å; H135-D152 PolarHBondContact CE1-OD1 2.69Å; H135-D152 VanDerWaalsContact CE1-OD1 3.28Å; H135-D152 IonicContact ND1-OD1 2.7Å; H135-D152 PolarHBondContact ND1-OD1 3Å; H135-D152 VanDerWaalsContact ND1-OD1 3.17Å; H135-D152 IonicContact ND1-OD2 2.75Å; H135-M183 VanDerWaalsContact NE2-CE 3.34Å; H135-M183 WeakPolarHBondContact NE2-CE 3.4Å
136Q83.3Confident74.6Confident104 Ų10459.3 Ų59.349%0.48633%0.326SS..Hα-helixtrans-75.8-16.7172.6-73.3167.623.800112.9E132 L133E132-Q136 VanDerWaalsContact O-CB 3.27Å; E132-Q136 WeakPolarHBondContact O-CB 3.45Å; E132-Q136 WeakPolarHBondContact O-CG 3.45Å; E132-Q136 PolarHBondContact O-N 3.48Å; L133-Q136 PolarHBondContact O-N 2.91Å
137F83Confident74Confident9 Ų961.3 Ų61.34%0.03935%0.349CS..  trans-68.7134.5-179.1176.1-105.3000112.5L133 H135 F257 E260 L261 Y264L133-F137 PolarHBondContact O-N 3.3Å; H135-F137 VanDerWaalsContact C-N 3.29Å; F137-F257 HydrophobicContact CD1-CE1 4.4Å; F137-F257 AromaticContact CD1-CE2 3.93Å; F137-F257 HydrophobicContact CD1-CE2 3.93Å; F137-F257 AromaticContact CD1-CZ 3.76Å; F137-F257 HydrophobicContact CD1-CZ 3.76Å; F137-F257 AromaticContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CE1 4.21Å; F137-F257 AromaticContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CG 4.34Å; F137-F257 AromaticContact CE1-CZ 3.73Å; F137-F257 HydrophobicContact CE1-CZ 3.73Å; F137-E260 HydrophobicContact CE2-CB 4.1Å; F137-E260 HydrophobicContact CZ-CB 3.61Å; F137-L261 HydrophobicContact CB-CD1 3.76Å; F137-L261 HydrophobicContact CD1-CB 3.89Å; F137-L261 HydrophobicContact CD1-CD1 3.67Å; F137-L261 HydrophobicContact CD1-CG 4.3Å; F137-L261 HydrophobicContact CD2-CD1 4.27Å; F137-L261 HydrophobicContact CE1-CB 3.73Å; F137-L261 HydrophobicContact CE1-CD1 4.4Å; F137-L261 HydrophobicContact CE2-CB 4.48Å; F137-L261 HydrophobicContact CG-CB 4.33Å; F137-L261 HydrophobicContact CG-CD1 3.59Å; F137-L261 HydrophobicContact CZ-CB 4.06Å; F137-L261 VanDerWaalsContact CZ-N 3.32Å; F137-Y264 HydrophobicContact CB-CD1 4.04Å; F137-Y264 HydrophobicContact CB-CE1 4.07Å; F137-Y264 AromaticContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD2 4.26Å; F137-Y264 HydrophobicContact CD2-CE1 4.31Å; F137-Y264 AromaticContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CE2-CG 4.22Å; F137-Y264 HydrophobicContact CG-CD1 4.23Å
138K82.2Confident73.4Confident131 Ų13162 Ų6257%0.5736%0.357SS*.BIsolated β-bridgetrans-138.4115.1179-172.7170.8-178.2174.40110.2G147K138-G147 WeakPolarHBondContact CE-O 3.47Å; K138-G147 PolarHBondContact NZ-O 3.15Å
139S77.7Confident73.1Confident11 Ų1161 Ų618%0.07735%0.35CS..PPolyproline II helixtrans-70.6149.2-178-177.10000112G148 Q149 E260S139-G148 WeakPolarHBondContact O-CA 3.47Å; S139-Q149 WeakPolarHBondContact CB-O 3.44Å; S139-Q149 PolarHBondContact N-O 3.16Å; S139-E260 WeakPolarHBondContact CA-OE2 3.37Å; S139-E260 VanDerWaalsContact CB-OE2 3.27Å; S139-E260 WeakPolarHBondContact CB-OE2 3.42Å; S139-E260 PolarHBondContact OG-OE2 3.41Å
140S65.1Low73.2Confident80 Ų8059.8 Ų59.856%0.55935%0.348SS*.PPolyproline II helixtrans-68.1135.9174.483.80000110.1D142 E260S140-D142 PolarHBondContact O-N 3.4Å; S140-E260 WeakPolarHBondContact CB-OE1 3.21Å; S140-E260 PolarHBondContact N-OE2 3.35Å; S140-E260 PolarHBondContact OG-OE1 3.44Å
141G59.5Low73.3Confident43 Ų4359.6 Ų59.644%0.44335%0.347SS..PPolyproline II helixtrans-78.4119.4-167.600000113.5T145G141-T145 WeakPolarHBondContact CA-O 3.14Å
142D60.4Low73.1Confident89 Ų8962.3 Ų62.348%0.47636%0.361SS..PPolyproline II helixtrans-58.7158.4158.5-75-45.6000110.7S140 S144 T145S140-D142 PolarHBondContact O-N 3.4Å; D142-S144 PolarHBondContact O-N 3.2Å; D142-T145 CarbonylContact O-C 3.6Å; D142-T145 VanDerWaalsContact O-C 3.24Å; D142-T145 PolarHBondContact O-N 3.27Å
143E56.8Low72.9Confident204 Ų20462.2 Ų62.295%0.95336%0.363SS*.THydrogen-bonded Turntrans-54.3-25.1-178.4-63.7-173.414700114.1
144S58.2Low72.8Confident100 Ų10062.2 Ų62.270%0.69936%0.363SS*.THydrogen-bonded Turntrans-80.7-19.7177.455.40000114.4D142D142-S144 PolarHBondContact O-N 3.2Å
145T59.8Low72.8Confident45 Ų4562.2 Ų62.228%0.27636%0.363SS..  trans-138.974.5178.254.50000110.4G141 D142 G147 G148 Q149G141-T145 WeakPolarHBondContact CA-O 3.14Å; D142-T145 CarbonylContact O-C 3.6Å; D142-T145 VanDerWaalsContact O-C 3.24Å; D142-T145 PolarHBondContact O-N 3.27Å; T145-G147 PolarHBondContact O-N 3.09Å; T145-G148 PolarHBondContact O-N 3.45Å; T145-Q149 HydrophobicContact CG2-CG 4.4Å; T145-Q149 PolarHBondContact OG1-NE2 2.8Å
146P59.1Low72.4Confident119 Ų11960.6 Ų60.677%0.77336%0.355SS*.THydrogen-bonded Turntrans-64.3-13-177.827.2-36.5000113.6G148P146-G148 VanDerWaalsContact C-N 3.27Å; P146-G148 PolarHBondContact O-N 2.81Å
147G63Low72.1Confident51 Ų5160.8 Ų60.853%0.52636%0.356SS..THydrogen-bonded Turntrans-75-7.817200000114.9K138 T145K138-G147 WeakPolarHBondContact CE-O 3.47Å; K138-G147 PolarHBondContact NZ-O 3.15Å; T145-G147 PolarHBondContact O-N 3.09Å
148G70.4Confident71.4Confident16 Ų1661.1 Ų61.117%0.16536%0.359CS..  trans76.4170.7-166.300000112.5S139 T145 P146S139-G148 WeakPolarHBondContact O-CA 3.47Å; T145-G148 PolarHBondContact O-N 3.45Å; P146-G148 VanDerWaalsContact C-N 3.27Å; P146-G148 PolarHBondContact O-N 2.81Å
149Q76Confident70.5Confident23 Ų2363 Ų6311%0.10737%0.37CS..  trans-121.2138175.5-62.2-176.822.500110.3S139 T145 I154 F257S139-Q149 WeakPolarHBondContact CB-O 3.44Å; S139-Q149 PolarHBondContact N-O 3.16Å; T145-Q149 HydrophobicContact CG2-CG 4.4Å; T145-Q149 PolarHBondContact OG1-NE2 2.8Å; Q149-I154 HydrophobicContact CB-CD1 4.17Å; Q149-F257 HydrophobicContact CB-CD2 4.5Å
150T83.1Confident69Low42 Ų4267.8 Ų67.826%0.25839%0.394SS..BIsolated β-bridgetrans-97.7172.8177.668.20000110.8D152 D153T150-D152 VanDerWaalsContact C-N 3.25Å; T150-D152 PolarHBondContact O-N 2.98Å; T150-D152 PolarHBondContact OG1-N 3.41Å; T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 2.7Å; T150-D153 PolarHBondContact OG1-OD2 2.97Å
151F82.7Confident68.3Low1 Ų167.7 Ų67.70%0.00438%0.382CS..Hα-helixtrans-58.3-40.2170.1175.6-113000112V134 H135 D153 I154 C155 C181 L248 F250V134-F151 HydrophobicContact CG1-CB 4.26Å; V134-F151 HydrophobicContact CG1-CD1 4.17Å; V134-F151 HydrophobicContact CG1-CD2 4.05Å; V134-F151 HydrophobicContact CG1-CE2 4.5Å; V134-F151 HydrophobicContact CG1-CG 3.89Å; H135-F151 AromaticContact CE1-CD1 3.9Å; F151-D153 VanDerWaalsContact C-N 3.25Å; F151-D153 PolarHBondContact O-N 3.24Å; F151-I154 PolarHBondContact O-N 3.05Å; F151-I154 VanDerWaalsContact O-N 3.17Å; F151-C155 HydrophobicContact CD1-CB 4.45Å; F151-C155 HydrophobicContact CE1-CB 4.04Å; F151-C155 HydrophobicContact CE2-CB 4.09Å; F151-C155 HydrophobicContact CZ-CB 3.83Å; F151-C155 WeakPolarHBondContact O-CB 3.43Å; F151-C155 PolarHBondContact O-N 3.47Å; F151-C181 HydrophobicContact CD1-CB 4.38Å; F151-C181 HydrophobicContact CE1-CB 3.59Å; F151-C181 HydrophobicContact CZ-CB 4.18Å; F151-L248 HydrophobicContact CE1-CD2 4.5Å; F151-L248 HydrophobicContact CE2-CB 4.27Å; F151-L248 HydrophobicContact CE2-CD2 3.96Å; F151-L248 HydrophobicContact CZ-CD2 3.78Å; F151-F250 HydrophobicContact CD2-CD1 4.48Å; F151-F250 AromaticContact CD2-CE1 3.63Å; F151-F250 HydrophobicContact CD2-CE1 3.63Å; F151-F250 AromaticContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CE2-CD1 4.31Å; F151-F250 AromaticContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE2 4.39Å; F151-F250 AromaticContact CE2-CZ 3.7Å; F151-F250 HydrophobicContact CE2-CZ 3.7Å
152D80.7Confident67.5Low70 Ų7071.1 Ų71.137%0.37439%0.394SS..Hα-helixtrans-71.6-18.8-171.5-56.5-30000113.3H135 T150 Q157 C181H135-D152 IonicContact CE1-OD1 3.52Å; H135-D152 PolarHBondContact CE1-OD1 2.69Å; H135-D152 VanDerWaalsContact CE1-OD1 3.28Å; H135-D152 IonicContact ND1-OD1 2.7Å; H135-D152 PolarHBondContact ND1-OD1 3Å; H135-D152 VanDerWaalsContact ND1-OD1 3.17Å; H135-D152 IonicContact ND1-OD2 2.75Å; T150-D152 VanDerWaalsContact C-N 3.25Å; T150-D152 PolarHBondContact O-N 2.98Å; T150-D152 PolarHBondContact OG1-N 3.41Å; D152-Q157 PolarHBondContact O-NE2 3.24Å; D152-C181 PolarHBondContact OD1-SG 3.44Å; D152-C181 VanDerWaalsContact OD1-SG 3.33Å
153D79.8Confident66.7Low86 Ų8671.9 Ų71.946%0.4640%0.402SS..Hα-helixtrans-76.4-25.7174.4-62-61.7000113.6T150 F151T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 2.7Å; T150-D153 PolarHBondContact OG1-OD2 2.97Å; F151-D153 VanDerWaalsContact C-N 3.25Å; F151-D153 PolarHBondContact O-N 3.24Å
154I79.2Confident65.9Low1 Ų166.8 Ų66.81%0.00539%0.389CS..Hα-helixtrans-117.1-15.8-169.6-43.8179.3000111.8Q149 F151 F250 R251 E252 K254 F257Q149-I154 HydrophobicContact CB-CD1 4.17Å; F151-I154 PolarHBondContact O-N 3.05Å; F151-I154 VanDerWaalsContact O-N 3.17Å; I154-F250 HydrophobicContact CB-CD1 4.25Å; I154-F250 HydrophobicContact CG2-CD1 4.03Å; I154-F250 CarbonylContact O-C 3.55Å; I154-F250 WeakPolarHBondContact O-CA 3.47Å; I154-R251 PolarHBondContact O-N 3.32Å; I154-E252 HydrophobicContact CG2-CB 4.2Å; I154-K254 HydrophobicContact CD1-CD 4.23Å; I154-F257 HydrophobicContact CD1-CB 4.24Å; I154-F257 HydrophobicContact CD1-CD1 4.17Å; I154-F257 HydrophobicContact CD1-CD2 3.34Å; I154-F257 HydrophobicContact CD1-CE1 4.41Å; I154-F257 HydrophobicContact CD1-CE2 3.61Å; I154-F257 HydrophobicContact CD1-CG 3.66Å; I154-F257 HydrophobicContact CD1-CZ 4.16Å
155C83.9Confident65.1Low1 Ų171.1 Ų71.11%0.00740%0.398CS..BIsolated β-bridgetrans-60.9158.1-179.2790000113.1F151 Q157 C181F151-C155 HydrophobicContact CD1-CB 4.45Å; F151-C155 HydrophobicContact CE1-CB 4.04Å; F151-C155 HydrophobicContact CE2-CB 4.09Å; F151-C155 HydrophobicContact CZ-CB 3.83Å; F151-C155 WeakPolarHBondContact O-CB 3.43Å; F151-C155 PolarHBondContact O-N 3.47Å; C155-Q157 PolarHBondContact O-N 3Å; C155-C181 HydrophobicContact CB-CB 3.5Å; C155-C181 VanDerWaalsContact CB-CB 3.5Å; C155-C181 WeakPolarHBondContact CB-SG 3.27Å; C155-C181 WeakPolarHBondContact SG-CA 3.31Å; C155-C181 WeakPolarHBondContact SG-CB 3.48Å; C155-C181 CovalentContact SG-SG 2.03Å; C155-C181 PolarHBondContact SG-SG 3.45Å
156F77.6Confident64.4Low46 Ų4675 Ų7520%0.20242%0.422CS..  trans-77.3112.9165.8-172.1-80.6000108.4L94 L182 V249 L833L94-F156 WeakPolarHBondContact O-CE2 3.33Å; F156-L182 HydrophobicContact CB-CB 4.39Å; F156-L182 HydrophobicContact CD1-CB 4.22Å; F156-L182 HydrophobicContact CD1-CD2 4.03Å; F156-L182 WeakPolarHBondContact O-CB 3.4Å; F156-L182 PolarHBondContact O-N 3.02Å; F156-V249 HydrophobicContact CB-CB 4.07Å; F156-V249 HydrophobicContact CB-CG1 3.74Å; F156-V249 HydrophobicContact CG-CG1 4.23Å; F156-V249 PolarHBondContact N-O 3.49Å; F156-L833 HydrophobicContact CE1-CD2 4.39Å; F156-L833 HydrophobicContact CZ-CD2 4.01Å
157Q75.1Confident63.7Low109 Ų10976.5 Ų76.551%0.50942%0.418SS..EExtended strand (participates in β ladder)trans-84138.7-179.5-66.4-179.8-4.500110.7D152 C155 G180D152-Q157 PolarHBondContact O-NE2 3.24Å; C155-Q157 PolarHBondContact O-N 3Å; Q157-G180 WeakPolarHBondContact CA-O 3.48Å
158V70Confident62.5Low16 Ų1682.2 Ų82.210%0.09744%0.437CS..EExtended strand (participates in β ladder)trans-97.4116.5174.9-178.10000108.7G180 L182 Y831V158-G180 PolarHBondContact N-O 2.94Å; V158-L182 HydrophobicContact CG2-CB 3.97Å; V158-L182 HydrophobicContact CG2-CD1 4.27Å; V158-Y831 HydrophobicContact CG1-CD1 4.09Å; V158-Y831 HydrophobicContact CG1-CE1 3.96Å; V158-Y831 HydrophobicContact CG2-CD1 4.27Å; V158-Y831 HydrophobicContact CG2-CE1 3.96Å
159E61.5Low61.5Low169 Ų16983.4 Ų83.479%0.7944%0.443SS*.PPolyproline II helixtrans-91.4168.7165.2-65.6-175.3171.300110.4
160D48.1Very low60.2Low112 Ų11289.5 Ų89.560%0.59947%0.471SS*.PPolyproline II helixtrans-60.2147.7-156.8-143.5-23000115T162 F179D160-T162 PolarHBondContact O-N 3.28Å; D160-F179 HydrophobicContact CB-CE1 4.06Å; D160-F179 HydrophobicContact CB-CZ 4.45Å; D160-F179 WeakPolarHBondContact OD2-CZ 3.38Å
161R49.7Very low58.7Low79 Ų7990.8 Ų90.830%0.29848%0.479SS..PPolyproline II helixtrans-65.4119.3-175.1-85.2-178.3167.2133.2-8.6110.8V163 K173R161-V163 HydrophobicContact CB-CG2 3.81Å; R161-V163 PolarHBondContact O-N 3.23Å; R161-K173 PolarHBondContact NH1-O 2.93Å; R161-K173 VanDerWaalsContact NH1-O 3.12Å
162T43.3Very low57.3Low115 Ų11593.6 Ų93.671%0.70649%0.494SS*.  trans-72.175.116240.60000110.3D160 S164D160-T162 PolarHBondContact O-N 3.28Å; T162-S164 PolarHBondContact O-N 3.28Å
163V42.6Very low55.9Low104 Ų10495 Ų9563%0.6350%0.496SS*.  trans-64.7118-176.7178.80000110.9R161R161-V163 HydrophobicContact CB-CG2 3.81Å; R161-V163 PolarHBondContact O-N 3.23Å
164S40Very low54.9Low98 Ų9897 Ų9769%0.68551%0.507SS*.  trans-93.9141158.640.50000109.4T162 V166T162-S164 PolarHBondContact O-N 3.28Å; S164-V166 VanDerWaalsContact C-N 3.28Å; S164-V166 PolarHBondContact O-N 2.92Å
165E41.7Very low54.1Low190 Ų19099 Ų9989%0.88852%0.519SS*.SBendtrans-81.434-151.6-55.1175.2113.600115.9
166V44.6Very low53.1Low127 Ų12799.3 Ų99.377%0.7752%0.521SS*.  trans-119.31.3-156.5-160.10000116.2S164S164-V166 VanDerWaalsContact C-N 3.28Å; S164-V166 PolarHBondContact O-N 2.92Å
167E44.1Very low52.5Low150 Ų15098.2 Ų98.270%0.70152%0.518SS*.  trans-126.2104.3175.7-71.6-173.6179.600113.4S169E167-S169 PolarHBondContact O-N 3.5Å
168N37.6Very low51.7Low171 Ų17195.2 Ų95.291%0.91451%0.507SS*.  trans-76.775.2-177.9-76.6-22.4000113.1
169S50Low51.5Low42 Ų42100.9 Ų100.929%0.29453%0.531SS..  trans-151.9102.5165.6-166.50000113E167 T171 I172E167-S169 PolarHBondContact O-N 3.5Å; S169-T171 VanDerWaalsContact C-N 3.26Å; S169-T171 PolarHBondContact O-N 3.33Å; S169-T171 PolarHBondContact OG-OG1 2.87Å; S169-T171 VanDerWaalsContact OG-OG1 3.11Å; S169-I172 PolarHBondContact O-N 3.3Å
170E49.8Very low52.1Low151 Ų15194.5 Ų94.571%0.70651%0.511SS*.THydrogen-bonded Turntrans-67.4-27.3-179.9-56.8-163.8121.900112.9I172 K173E170-I172 PolarHBondContact O-N 3.23Å; E170-K173 WeakPolarHBondContact O-CB 3.36Å; E170-K173 PolarHBondContact O-N 3.49Å
171T50.3Low53.5Low69 Ų6990.1 Ų90.142%0.42349%0.489SS..THydrogen-bonded Turntrans-68.8-3117749.20000113.2S169 K173 N174 L210S169-T171 VanDerWaalsContact C-N 3.26Å; S169-T171 PolarHBondContact O-N 3.33Å; S169-T171 PolarHBondContact OG-OG1 2.87Å; S169-T171 VanDerWaalsContact OG-OG1 3.11Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 2.91Å; T171-N174 PolarHBondContact O-N 3.42Å; T171-L210 HydrophobicContact CG2-CD2 3.99Å
172I53.3Low54.9Low60 Ų6086.5 Ų86.531%0.30848%0.475SS..G310 helixtrans-70-25.7177.7-67.8179.1000111.3S169 E170 N174 L216S169-I172 PolarHBondContact O-N 3.3Å; E170-I172 PolarHBondContact O-N 3.23Å; I172-N174 PolarHBondContact O-N 2.77Å; I172-L216 HydrophobicContact CG2-CD1 3.95Å
173K52.1Low56.9Low100 Ų10081.4 Ų81.444%0.43544%0.444SS..G310 helixtrans-61-30.6179.3-64.3178.91801710112.7R161 E170 T171R161-K173 PolarHBondContact NH1-O 2.93Å; R161-K173 VanDerWaalsContact NH1-O 3.12Å; E170-K173 WeakPolarHBondContact O-CB 3.36Å; E170-K173 PolarHBondContact O-N 3.49Å; T171-K173 VanDerWaalsContact C-N 3.26Å; T171-K173 PolarHBondContact O-N 2.91Å
174N58Low58.9Low128 Ų12876.6 Ų76.668%0.68441%0.414SS*.G310 helixtrans-96.7-10.5-165.2-63.5-9.1000115.8T171 I172T171-N174 PolarHBondContact O-N 3.42Å; I172-N174 PolarHBondContact O-N 2.77Å
175V61.8Low61.1Low43 Ų4371.9 Ų71.926%0.26138%0.381SS..THydrogen-bonded Turntrans-95.2-20.3-173.9-174.40000113L189 L216 L220V175-L189 HydrophobicContact CG1-CD2 4.29Å; V175-L216 HydrophobicContact CG1-CD2 4.47Å; V175-L220 HydrophobicContact CG1-CD1 3.88Å
176L64.4Low63Low6 Ų662.9 Ų62.93%0.03134%0.339CS..SBendtrans-99.6146.3176.1-72.8167.4000110.1T178 L184 L216 L219 L220L176-T178 PolarHBondContact O-N 3.15Å; L176-L184 HydrophobicContact CD2-CD2 3.64Å; L176-L216 HydrophobicContact CD1-CD1 4.28Å; L176-L216 HydrophobicContact CG-CD1 4.5Å; L176-L219 HydrophobicContact CD2-CD2 4.24Å; L176-L220 HydrophobicContact CD2-CD2 4.41Å
177P63.6Low64.7Low24 Ų2456.9 Ų56.916%0.15630%0.303CS..  trans-61123176.524.3-32.6000110.6Y831P177-Y831 WeakPolarHBondContact CD-OH 3.08Å; P177-Y831 PolarHBondContact O-OH 2.79Å
178T59.2Low66.4Low45 Ų4551.9 Ų51.928%0.27628%0.279SS..SBendtrans-94.3-28.4177.3480000113.1L176L176-T178 PolarHBondContact O-N 3.15Å
179F65.3Low68Low135 Ų13544.1 Ų44.159%0.59224%0.237SC*.SBendtrans-140.6143.2175.5-60.8-79.3000109.4D160D160-F179 HydrophobicContact CB-CE1 4.06Å; D160-F179 HydrophobicContact CB-CZ 4.45Å; D160-F179 WeakPolarHBondContact OD2-CZ 3.38Å
180G73.8Confident68.9Low36 Ų3645 Ų4537%0.37124%0.239SC..EExtended strand (participates in β ladder)trans97.2-157.2179.400000113.4Q157 V158Q157-G180 WeakPolarHBondContact CA-O 3.48Å; V158-G180 PolarHBondContact N-O 2.94Å
181C77.5Confident69.5Low20 Ų2041.2 Ų41.214%0.13523%0.225CC..EExtended strand (participates in β ladder)trans-70.1137.4-171.3-63.80000114.6F151 D152 C155 M183F151-C181 HydrophobicContact CD1-CB 4.38Å; F151-C181 HydrophobicContact CE1-CB 3.59Å; F151-C181 HydrophobicContact CZ-CB 4.18Å; D152-C181 PolarHBondContact OD1-SG 3.44Å; D152-C181 VanDerWaalsContact OD1-SG 3.33Å; C155-C181 HydrophobicContact CB-CB 3.5Å; C155-C181 VanDerWaalsContact CB-CB 3.5Å; C155-C181 WeakPolarHBondContact CB-SG 3.27Å; C155-C181 WeakPolarHBondContact SG-CA 3.31Å; C155-C181 WeakPolarHBondContact SG-CB 3.48Å; C155-C181 CovalentContact SG-SG 2.03Å; C155-C181 PolarHBondContact SG-SG 3.45Å; C181-M183 PolarHBondContact O-N 3.37Å
182L79.9Confident69.5Low3 Ų342.4 Ų42.42%0.01623%0.229CC..  trans-75.885.2172.8-175.257000111.4F156 V158 V249 Y831F156-L182 HydrophobicContact CB-CB 4.39Å; F156-L182 HydrophobicContact CD1-CB 4.22Å; F156-L182 HydrophobicContact CD1-CD2 4.03Å; F156-L182 WeakPolarHBondContact O-CB 3.4Å; F156-L182 PolarHBondContact O-N 3.02Å; V158-L182 HydrophobicContact CG2-CB 3.97Å; V158-L182 HydrophobicContact CG2-CD1 4.27Å; L182-V249 HydrophobicContact CB-CB 4.2Å; L182-V249 HydrophobicContact CB-CG2 4.44Å; L182-V249 HydrophobicContact CD2-CB 4.11Å; L182-V249 HydrophobicContact CD2-CG1 4.35Å; L182-V249 HydrophobicContact CD2-CG2 3.89Å; L182-V249 HydrophobicContact CG-CB 4.13Å; L182-V249 HydrophobicContact CG-CG2 3.86Å; L182-V249 PolarHBondContact O-N 3.45Å; L182-V249 VanDerWaalsContact O-N 3.14Å; L182-Y831 HydrophobicContact CD1-CD2 4.27Å; L182-Y831 HydrophobicContact CD1-CE1 4.1Å; L182-Y831 HydrophobicContact CD1-CE2 3.67Å
183M84.7Confident69.2Low8 Ų850.5 Ų50.54%0.03926%0.256CS..EExtended strand (participates in β ladder)trans-113.5151.3166.4172.9167.361.600109.9V131 H135 C181 F188 L246 T247 L248V131-M183 HydrophobicContact CB-CE 4.38Å; V131-M183 HydrophobicContact CG1-CE 3.68Å; V131-M183 HydrophobicContact CG2-CE 4.01Å; V131-M183 HydrophobicContact CG2-SD 3.94Å; H135-M183 VanDerWaalsContact NE2-CE 3.34Å; H135-M183 WeakPolarHBondContact NE2-CE 3.4Å; C181-M183 PolarHBondContact O-N 3.37Å; M183-F188 HydrophobicContact CE-CE1 4.35Å; M183-F188 HydrophobicContact CE-CZ 4.07Å; M183-F188 HydrophobicContact CG-CZ 4.32Å; M183-F188 WeakPolarHBondContact O-CE2 3.44Å; M183-L246 HydrophobicContact SD-CD2 4.17Å; M183-T247 CarbonylContact C-O 3.51Å; M183-T247 WeakPolarHBondContact CA-O 3.24Å; M183-L248 HydrophobicContact CB-CD2 4.1Å; M183-L248 HydrophobicContact CG-CD2 3.7Å; M183-L248 HydrophobicContact SD-CD2 3.52Å; M183-L248 VanDerWaalsContact SD-CD2 3.52Å
184L85.4Confident68.6Low2 Ų251.5 Ų51.51%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-130.8131.2170.7-60.2166.1000110.2L176 L219 L220 T247 Y823 L827L176-L184 HydrophobicContact CD2-CD2 3.64Å; L184-L219 HydrophobicContact CD1-CD1 4.39Å; L184-L219 HydrophobicContact CD1-CG 4.25Å; L184-L220 HydrophobicContact CD2-CD2 4.46Å; L184-T247 PolarHBondContact N-O 3.34Å; L184-T247 PolarHBondContact O-N 3.25Å; L184-Y823 WeakPolarHBondContact CD1-OH 3.37Å; L184-L827 HydrophobicContact CD1-CD1 3.75Å; L184-L827 HydrophobicContact CD1-CD2 4.44Å
185A85.9Confident67.6Low0 Ų049.6 Ų49.60%028%0.276CS..  trans-146.5144.9-174.100000111.5V131 S187 F188 L220 L246V131-A185 HydrophobicContact CG2-CB 3.71Å; A185-S187 WeakPolarHBondContact CB-OG 3.29Å; A185-S187 PolarHBondContact O-N 2.94Å; A185-F188 HydrophobicContact CB-CD1 4.17Å; A185-F188 HydrophobicContact CB-CE1 4.01Å; A185-F188 HydrophobicContact CB-CE2 4.49Å; A185-F188 HydrophobicContact CB-CG 4.47Å; A185-F188 HydrophobicContact CB-CZ 4.19Å; A185-F188 PolarHBondContact O-N 2.99Å; A185-L220 CarbonylContact C-O 3.56Å; A185-L246 HydrophobicContact CB-CD1 3.43Å; A185-L246 VanDerWaalsContact CB-CD1 3.43Å
186P82.6Confident66.1Low1 Ų152.7 Ų52.71%0.00630%0.295CS..G310 helixtrans-58.2-33.8169.9-25.634.9000113.1L124 F188 L189 L220 F221 Y244L124-P186 HydrophobicContact CD2-CB 3.85Å; L124-P186 VanDerWaalsContact CD2-O 3.25Å; L124-P186 WeakPolarHBondContact CD2-O 3.33Å; P186-F188 PolarHBondContact O-N 3.41Å; P186-F188 VanDerWaalsContact O-N 3.08Å; P186-L189 WeakPolarHBondContact O-CB 3.18Å; P186-L189 PolarHBondContact O-N 3.46Å; P186-L220 WeakPolarHBondContact CD-O 3.31Å; P186-F221 HydrophobicContact CB-CD1 4.43Å; P186-F221 HydrophobicContact CB-CE1 3.97Å; P186-F221 HydrophobicContact CB-CE2 4.19Å; P186-F221 HydrophobicContact CB-CZ 3.84Å; P186-F221 HydrophobicContact CG-CD1 4.04Å; P186-F221 HydrophobicContact CG-CE1 4.03Å; P186-F221 HydrophobicContact CG-CG 4.35Å; P186-F221 HydrophobicContact CG-CZ 4.34Å; P186-Y244 HydrophobicContact CG-CD2 3.81Å; P186-Y244 HydrophobicContact CG-CE2 4.48Å; P186-Y244 HydrophobicContact CG-CG 4Å
187S80.3Confident64.6Low0 Ų058.7 Ų58.70%033%0.326CS..G310 helixtrans-56.9-22.5-178.750.20000114.5S127 A185 L189 L190S127-S187 WeakPolarHBondContact OG-CA 3.29Å; S127-S187 WeakPolarHBondContact OG-CB 3.27Å; S127-S187 PolarHBondContact OG-N 3.02Å; A185-S187 WeakPolarHBondContact CB-OG 3.29Å; A185-S187 PolarHBondContact O-N 2.94Å; S187-L189 PolarHBondContact O-N 3.09Å; S187-L190 WeakPolarHBondContact O-CB 3.31Å; S187-L190 PolarHBondContact O-N 3.26Å
188F78Confident63.1Low45 Ų4567.5 Ų67.520%0.19737%0.365CS..G310 helixtrans-62.2-15.8176-61.8-10.9000112.9M183 A185 P186 L190 L220M183-F188 HydrophobicContact CE-CE1 4.35Å; M183-F188 HydrophobicContact CE-CZ 4.07Å; M183-F188 HydrophobicContact CG-CZ 4.32Å; M183-F188 WeakPolarHBondContact O-CE2 3.44Å; A185-F188 HydrophobicContact CB-CD1 4.17Å; A185-F188 HydrophobicContact CB-CE1 4.01Å; A185-F188 HydrophobicContact CB-CE2 4.49Å; A185-F188 HydrophobicContact CB-CG 4.47Å; A185-F188 HydrophobicContact CB-CZ 4.19Å; A185-F188 PolarHBondContact O-N 2.99Å; P186-F188 PolarHBondContact O-N 3.41Å; P186-F188 VanDerWaalsContact O-N 3.08Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.4Å; F188-L220 HydrophobicContact CD2-CD2 4.26Å
189L72.8Confident61.8Low8 Ų869.5 Ų69.54%0.04238%0.381CS..G310 helixtrans-73.5-14.1170.6-63.2172.6000114.4L124 V175 P186 S187 I208 A211 L217 L220 F221L124-L189 HydrophobicContact CD2-CB 4.36Å; L124-L189 HydrophobicContact CD2-CD1 4.36Å; V175-L189 HydrophobicContact CG1-CD2 4.29Å; P186-L189 WeakPolarHBondContact O-CB 3.18Å; P186-L189 PolarHBondContact O-N 3.46Å; S187-L189 PolarHBondContact O-N 3.09Å; L189-I208 HydrophobicContact CD1-CG1 4.36Å; L189-A211 HydrophobicContact CD2-CB 4.12Å; L189-L217 HydrophobicContact CD1-CD1 4.36Å; L189-L220 HydrophobicContact CD2-CD1 3.84Å; L189-L220 HydrophobicContact CG-CD1 4.04Å; L189-F221 HydrophobicContact CD1-CE2 4.01Å
190L67.4Low60.4Low61 Ų6171.1 Ų71.132%0.31939%0.39SS..G310 helixtrans-86.7-20.2174.1-73.5167.8000113.5L124 S187 F188 D192L124-L190 HydrophobicContact CB-CD1 3.59Å; L124-L190 HydrophobicContact CB-CD2 4.28Å; L124-L190 HydrophobicContact CB-CG 3.79Å; L124-L190 HydrophobicContact CD1-CD2 4.32Å; L124-L190 HydrophobicContact CD1-CG 4.28Å; S187-L190 WeakPolarHBondContact O-CB 3.31Å; S187-L190 PolarHBondContact O-N 3.26Å; F188-L190 VanDerWaalsContact C-N 3.3Å; F188-L190 PolarHBondContact O-N 3.4Å; L190-D192 PolarHBondContact O-N 3.46Å; L190-D192 VanDerWaalsContact O-N 3.1Å
191V62.4Low58.8Low71 Ų7177.6 Ų77.643%0.4341%0.411SS..  trans-81.598-161.9-177.40000111.9R193V191-R193 HydrophobicContact CG1-CB 4.39Å; V191-R193 HydrophobicContact CG1-CG 4.04Å; V191-R193 PolarHBondContact O-N 3.46Å
192D51.9Low57.3Low94 Ų9480.2 Ų80.250%0.50343%0.427SS..  trans-75.694.9159.3-88.8-32.6000110.2L190 L194 R207L190-D192 PolarHBondContact O-N 3.46Å; L190-D192 VanDerWaalsContact O-N 3.1Å; D192-L194 PolarHBondContact O-N 2.67Å; D192-R207 VanDerWaalsContact CG-NH1 3.32Å; D192-R207 IonicContact OD1-CZ 3.4Å; D192-R207 VanDerWaalsContact OD1-CZ 3.27Å; D192-R207 IonicContact OD1-NH1 3.37Å; D192-R207 PolarHBondContact OD1-NH1 2.86Å; D192-R207 IonicContact OD1-NH2 3.82Å; D192-R207 PolarHBondContact OD1-NH2 3.36Å; D192-R207 IonicContact OD2-CZ 3.91Å; D192-R207 IonicContact OD2-NH1 3.03Å; D192-R207 IonicContact OD2-NH2 3.04Å; D192-R207 PolarHBondContact OD2-NH2 2.96Å
193R47.1Very low56.3Low230 Ų23082.9 Ų82.987%0.86845%0.446SS*.  trans-80.110.1171.7-113-175.8-174.6-1613114V191V191-R193 HydrophobicContact CG1-CB 4.39Å; V191-R193 HydrophobicContact CG1-CG 4.04Å; V191-R193 PolarHBondContact O-N 3.46Å
194L38Very low55.2Low121 Ų12183.7 Ų83.763%0.63445%0.452SS*.  trans-114.5102.3177.9-93.9150.8000109.7D192 V196D192-L194 PolarHBondContact O-N 2.67Å; L194-V196 PolarHBondContact O-N 2.91Å
195G37.8Very low54.1Low89 Ų8988 Ų8892%0.91847%0.474SS*.  trans-76.738.2175.200000113.9
196V31Very low52.9Low108 Ų10889.8 Ų89.866%0.65549%0.486SS*.  trans-143.7151.7-173.2-163.80000109.4L194L194-V196 PolarHBondContact O-N 2.91Å
197I32.2Very low52Low132 Ų13292.5 Ų92.568%0.67750%0.497SS*.  trans77.774.6178.2-43.1-178.2000114.5S199I197-S199 VanDerWaalsContact CG2-OG 3.3Å; I197-S199 WeakPolarHBondContact CG2-OG 3.44Å; I197-S199 PolarHBondContact O-N 3.41Å
198Q31.6Very low51.3Low208 Ų20893.4 Ų93.497%0.97250%0.501SS*.  trans-73.494.4152.4-66.3168.4-50.400109.6
199S32.5Very low50.6Low88 Ų8898.2 Ų98.262%0.61552%0.522SS*.SBendtrans-168.4-44.1163.853.80000114.3I197I197-S199 VanDerWaalsContact CG2-OG 3.3Å; I197-S199 WeakPolarHBondContact CG2-OG 3.44Å; I197-S199 PolarHBondContact O-N 3.41Å
200H35.4Very low50Low168 Ų168102.4 Ų102.478%0.77854%0.544SS*.  trans-13395.6-176.8-74.3-18.5000111.1P202H200-P202 WeakPolarHBondContact O-CD 3.47Å
201Q39.5Very low49.6Very low173 Ų173100.1 Ų100.181%0.80853%0.534SS*.  trans-82.1111.7172-78.2-175.2-35.300110.8S203Q201-S203 PolarHBondContact O-N 2.88Å
202P47.1Very low49.5Very low74 Ų7499.5 Ų99.548%0.48154%0.536SS..  trans-68.8106.4164.429.9-32.8000107.8H200 S206 R207H200-P202 WeakPolarHBondContact O-CD 3.47Å; P202-S206 WeakPolarHBondContact CA-OG 3.34Å; P202-R207 PolarHBondContact O-NE 3.09Å
203S58.7Low49.7Very low59 Ų5999.5 Ų99.541%0.41354%0.544SS..  trans-39.2154.9178.166.40000114.3Q201 L205 S206 R207Q201-S203 PolarHBondContact O-N 2.88Å; S203-L205 PolarHBondContact O-N 3.42Å; S203-S206 PolarHBondContact N-OG 3.27Å; S203-S206 WeakPolarHBondContact O-CA 3.45Å; S203-S206 PolarHBondContact O-N 3.26Å; S203-S206 PolarHBondContact O-OG 3.31Å; S203-S206 PolarHBondContact OG-N 3.29Å; S203-S206 PolarHBondContact OG-OG 3.42Å; S203-R207 PolarHBondContact O-N 3.03Å
204V60.7Low50.3Low26 Ų2690.5 Ų90.516%0.15852%0.523CS..Hα-helixtrans-52.7-34.6174.5-1750000110.9V121 L124 S206 R207 I208V121-V204 HydrophobicContact CG2-CG2 4.41Å; L124-V204 HydrophobicContact CD1-CG1 3.79Å; V204-S206 PolarHBondContact O-N 3.05Å; V204-R207 PolarHBondContact O-N 3.27Å; V204-I208 HydrophobicContact CG1-CD1 3.97Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.41Å
205L62.2Low51.7Low91 Ų9189.7 Ų89.748%0.47652%0.519SS..Hα-helixtrans-59.9-40173.3-178.764.2000113.6S203 K209S203-L205 PolarHBondContact O-N 3.42Å; L205-K209 WeakPolarHBondContact O-CB 3.48Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.42Å; L205-K209 PolarHBondContact O-N 3.42Å
206S61.9Low53.2Low38 Ų3886.1 Ų86.127%0.26648%0.478SS..Hα-helixtrans-69.5-36.4174.125.20000112.8P202 S203 V204 I208 K209 L210P202-S206 WeakPolarHBondContact CA-OG 3.34Å; S203-S206 PolarHBondContact N-OG 3.27Å; S203-S206 WeakPolarHBondContact O-CA 3.45Å; S203-S206 PolarHBondContact O-N 3.26Å; S203-S206 PolarHBondContact O-OG 3.31Å; S203-S206 PolarHBondContact OG-N 3.29Å; S203-S206 PolarHBondContact OG-OG 3.42Å; V204-S206 PolarHBondContact O-N 3.05Å; S206-I208 VanDerWaalsContact C-N 3.35Å; S206-K209 PolarHBondContact O-N 3.02Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 PolarHBondContact O-N 2.94Å
207R63.7Low55.3Low59 Ų5981.1 Ų81.122%0.22345%0.448CS..Hα-helixtrans-64.6-41.2174.4-57.6-178.1-165.9-1372.2111.2D192 P202 S203 V204 L210 A211D192-R207 VanDerWaalsContact CG-NH1 3.32Å; D192-R207 IonicContact OD1-CZ 3.4Å; D192-R207 VanDerWaalsContact OD1-CZ 3.27Å; D192-R207 IonicContact OD1-NH1 3.37Å; D192-R207 PolarHBondContact OD1-NH1 2.86Å; D192-R207 IonicContact OD1-NH2 3.82Å; D192-R207 PolarHBondContact OD1-NH2 3.36Å; D192-R207 IonicContact OD2-CZ 3.91Å; D192-R207 IonicContact OD2-NH1 3.03Å; D192-R207 IonicContact OD2-NH2 3.04Å; D192-R207 PolarHBondContact OD2-NH2 2.96Å; P202-R207 PolarHBondContact O-NE 3.09Å; S203-R207 PolarHBondContact O-N 3.03Å; V204-R207 PolarHBondContact O-N 3.27Å; R207-L210 PolarHBondContact O-N 3.45Å; R207-A211 WeakPolarHBondContact O-CB 3.31Å; R207-A211 PolarHBondContact O-N 3.41Å
208I65.7Low57.4Low19 Ų1976.7 Ų76.710%0.09743%0.426CS..Hα-helixtrans-65.5-41.9173.2-67.8167.4000111.5I120 L189 V204 S206 L210 A211 A212 W225I120-I208 HydrophobicContact CG2-CD1 3.71Å; L189-I208 HydrophobicContact CD1-CG1 4.36Å; V204-I208 HydrophobicContact CG1-CD1 3.97Å; V204-I208 WeakPolarHBondContact O-CG1 3.46Å; V204-I208 PolarHBondContact O-N 3.41Å; S206-I208 VanDerWaalsContact C-N 3.35Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 2.92Å; I208-A211 PolarHBondContact O-N 3.22Å; I208-A212 VanDerWaalsContact O-CB 3.28Å; I208-A212 WeakPolarHBondContact O-CB 3.43Å; I208-A212 PolarHBondContact O-N 2.86Å; I208-W225 HydrophobicContact CG2-CH2 4.11Å; I208-W225 HydrophobicContact CG2-CZ2 4.24Å
209K63.6Low59.5Low145 Ų14567 Ų6763%0.6338%0.38SS*.Hα-helixtrans-60-40.8173.1-76.7170176.9-179.30111.9L205 S206 A212L205-K209 WeakPolarHBondContact O-CB 3.48Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.42Å; L205-K209 PolarHBondContact O-N 3.42Å; S206-K209 PolarHBondContact O-N 3.02Å; K209-A212 PolarHBondContact O-N 3.39Å
210L58.8Low61.8Low97 Ų9762.8 Ų62.851%0.50835%0.351SS..Hα-helixtrans-72-39.3-179.5-157.375.2000111.9T171 S206 R207 I208 A212 S213T171-L210 HydrophobicContact CG2-CD2 3.99Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 PolarHBondContact O-N 2.94Å; R207-L210 PolarHBondContact O-N 3.45Å; I208-L210 VanDerWaalsContact C-N 3.32Å; I208-L210 PolarHBondContact O-N 2.92Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 3.43Å; L210-S213 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-OG 2.82Å
211A60.5Low63.9Low12 Ų1255.2 Ų55.210%0.09932%0.316CS..Hα-helixtrans-68.9-21.617300000113.3L189 R207 I208 S213 L216 L217L189-A211 HydrophobicContact CD2-CB 4.12Å; R207-A211 WeakPolarHBondContact O-CB 3.31Å; R207-A211 PolarHBondContact O-N 3.41Å; I208-A211 PolarHBondContact O-N 3.22Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.81Å; A211-L216 HydrophobicContact CB-CD2 3.81Å; A211-L217 HydrophobicContact CB-CD1 3.98Å
212A60.2Low65.5Low58 Ų5847 Ų4748%0.47928%0.278SS..THydrogen-bonded Turntrans-79.9-1.1177.500000114.7I208 K209 L210 G214 L217I208-A212 VanDerWaalsContact O-CB 3.28Å; I208-A212 WeakPolarHBondContact O-CB 3.43Å; I208-A212 PolarHBondContact O-N 2.86Å; K209-A212 PolarHBondContact O-N 3.39Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 3.43Å; A212-G214 PolarHBondContact O-N 3.33Å; A212-L217 HydrophobicContact CB-CD2 4.01Å
213S55.1Low66.9Low95 Ų9544 Ų4466%0.66426%0.257SS*.THydrogen-bonded Turntrans-78.72.1176.966.50000114.2L210 A211L210-S213 PolarHBondContact O-N 3.49Å; L210-S213 PolarHBondContact O-OG 2.82Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 2.81Å
214G60.3Low67.7Low41 Ų4142 Ų4242%0.42324%0.243SC..SBendtrans-167.5-169.217600000113A212 L216A212-G214 PolarHBondContact O-N 3.33Å; G214-L216 PolarHBondContact O-N 3.43Å
215N67Low68.3Low104 Ų10443.4 Ų43.456%0.55625%0.245SC*.THydrogen-bonded Turntrans-68.7-1.3-176.9-68.47000114.4L217 D218 L219N215-L217 VanDerWaalsContact C-N 3.32Å; N215-L217 PolarHBondContact O-N 3.32Å; N215-D218 PolarHBondContact O-N 3.48Å; N215-L219 PolarHBondContact O-N 3.42Å
216L69.8Low68.6Low13 Ų1345.2 Ų45.27%0.06825%0.249CC..Hα-helixtrans-64.7-33-176.3-175.2143.5000112.7I172 V175 L176 A211 G214 L219 L220I172-L216 HydrophobicContact CG2-CD1 3.95Å; V175-L216 HydrophobicContact CG1-CD2 4.47Å; L176-L216 HydrophobicContact CD1-CD1 4.28Å; L176-L216 HydrophobicContact CG-CD1 4.5Å; A211-L216 HydrophobicContact CB-CD2 3.81Å; G214-L216 PolarHBondContact O-N 3.43Å; L216-L219 WeakPolarHBondContact O-CB 3.28Å; L216-L219 PolarHBondContact O-N 2.83Å; L216-L220 HydrophobicContact CD2-CD1 3.62Å; L216-L220 HydrophobicContact CD2-CG 4.24Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 3.31Å
217L74.9Confident68.9Low4 Ų445.9 Ų45.92%0.02125%0.252CS..Hα-helixtrans-67.9-39.9175.9-160.465.3000112.1L189 A211 A212 N215 L219 F221 W225L189-L217 HydrophobicContact CD1-CD1 4.36Å; A211-L217 HydrophobicContact CB-CD1 3.98Å; A212-L217 HydrophobicContact CB-CD2 4.01Å; N215-L217 VanDerWaalsContact C-N 3.32Å; N215-L217 PolarHBondContact O-N 3.32Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.84Å; L217-F221 HydrophobicContact CD1-CD2 4.26Å; L217-F221 HydrophobicContact CD1-CE2 4.05Å; L217-F221 WeakPolarHBondContact O-CD2 3.21Å; L217-F221 PolarHBondContact O-N 3.43Å; L217-W225 HydrophobicContact CD1-CE3 4.26Å; L217-W225 HydrophobicContact CD1-CZ3 4.26Å; L217-W225 HydrophobicContact CD2-CB 4.18Å; L217-W225 HydrophobicContact CD2-CD2 3.37Å; L217-W225 HydrophobicContact CD2-CE3 3.59Å; L217-W225 HydrophobicContact CD2-CG 3.64Å; L217-W225 HydrophobicContact CD2-CH2 4.36Å; L217-W225 HydrophobicContact CD2-CZ2 4.2Å; L217-W225 HydrophobicContact CD2-CZ3 4.08Å; L217-W225 HydrophobicContact CG-CB 4.46Å; L217-W225 HydrophobicContact CG-CD2 3.98Å; L217-W225 HydrophobicContact CG-CE3 3.71Å; L217-W225 HydrophobicContact CG-CG 4.31Å; L217-W225 HydrophobicContact CG-CZ3 4.21Å
218D75.4Confident69.3Low39 Ų3943.1 Ų43.121%0.20924%0.241CC..Hα-helixtrans-67.3-32.5173.5-75.911.1000111.2N215 G222 P224 W225 Y818 Y823N215-D218 PolarHBondContact O-N 3.48Å; D218-G222 PolarHBondContact O-N 3.28Å; D218-P224 WeakPolarHBondContact OD2-CA 3.35Å; D218-W225 VanDerWaalsContact OD1-CB 3.28Å; D218-W225 WeakPolarHBondContact OD1-CB 3.47Å; D218-W225 PolarHBondContact OD1-N 3.2Å; D218-Y818 PolarHBondContact OD2-OH 3.24Å; D218-Y823 VanDerWaalsContact O-CE2 3.27Å; D218-Y823 WeakPolarHBondContact O-CE2 3.36Å
219L77.3Confident69.4Low3 Ų342.9 Ų42.92%0.01624%0.243CC..Hα-helixtrans-68.1-47.8177.7-165.366.8000112.2L176 L184 N215 L216 L217 F221 Y823 L827L176-L219 HydrophobicContact CD2-CD2 4.24Å; L184-L219 HydrophobicContact CD1-CD1 4.39Å; L184-L219 HydrophobicContact CD1-CG 4.25Å; N215-L219 PolarHBondContact O-N 3.42Å; L216-L219 WeakPolarHBondContact O-CB 3.28Å; L216-L219 PolarHBondContact O-N 2.83Å; L217-L219 VanDerWaalsContact C-N 3.29Å; L217-L219 PolarHBondContact O-N 2.84Å; L219-F221 PolarHBondContact O-N 3.49Å; L219-Y823 HydrophobicContact CD1-CE1 4.23Å; L219-Y823 HydrophobicContact CD1-CE2 4.16Å; L219-Y823 VanDerWaalsContact O-CE2 3.27Å; L219-Y823 WeakPolarHBondContact O-CE2 3.46Å; L219-Y823 VanDerWaalsContact O-CZ 3.32Å; L219-Y823 PolarHBondContact O-OH 2.72Å; L219-L827 HydrophobicContact CD1-CB 4.01Å; L219-L827 HydrophobicContact CD1-CD1 4.09Å
220L79.7Confident69.6Low0 Ų036.6 Ų36.60%022%0.217CC..Hα-helixtrans-70.4-27.6-179.1-70.4175.1000114V175 L176 L184 A185 P186 F188 L189 L216V175-L220 HydrophobicContact CG1-CD1 3.88Å; L176-L220 HydrophobicContact CD2-CD2 4.41Å; L184-L220 HydrophobicContact CD2-CD2 4.46Å; A185-L220 CarbonylContact C-O 3.56Å; P186-L220 WeakPolarHBondContact CD-O 3.31Å; F188-L220 HydrophobicContact CD2-CD2 4.26Å; L189-L220 HydrophobicContact CD2-CD1 3.84Å; L189-L220 HydrophobicContact CG-CD1 4.04Å; L216-L220 HydrophobicContact CD2-CD1 3.62Å; L216-L220 HydrophobicContact CD2-CG 4.24Å; L216-L220 WeakPolarHBondContact O-CG 3.34Å; L216-L220 PolarHBondContact O-N 3.31Å
221F79.3Confident70Confident10 Ų1032.9 Ų32.94%0.04420%0.199CC..Hα-helixtrans-90.9-8.3-178.5-85.7-95.8000114.5P186 L189 L217 L219 F223 W225 T228 L230 A245P186-F221 HydrophobicContact CB-CD1 4.43Å; P186-F221 HydrophobicContact CB-CE1 3.97Å; P186-F221 HydrophobicContact CB-CE2 4.19Å; P186-F221 HydrophobicContact CB-CZ 3.84Å; P186-F221 HydrophobicContact CG-CD1 4.04Å; P186-F221 HydrophobicContact CG-CE1 4.03Å; P186-F221 HydrophobicContact CG-CG 4.35Å; P186-F221 HydrophobicContact CG-CZ 4.34Å; L189-F221 HydrophobicContact CD1-CE2 4.01Å; L217-F221 HydrophobicContact CD1-CD2 4.26Å; L217-F221 HydrophobicContact CD1-CE2 4.05Å; L217-F221 WeakPolarHBondContact O-CD2 3.21Å; L217-F221 PolarHBondContact O-N 3.43Å; L219-F221 PolarHBondContact O-N 3.49Å; F221-F223 PolarHBondContact O-N 2.94Å; F221-F223 VanDerWaalsContact O-N 3.09Å; F221-W225 HydrophobicContact CD2-CE3 4.29Å; F221-W225 HydrophobicContact CD2-CZ3 4.3Å; F221-W225 HydrophobicContact CE1-CZ3 4.27Å; F221-W225 HydrophobicContact CE2-CE3 4.26Å; F221-W225 AromaticContact CE2-CZ3 3.82Å; F221-W225 HydrophobicContact CE2-CZ3 3.82Å; F221-W225 AromaticContact CZ-CZ3 3.81Å; F221-W225 HydrophobicContact CZ-CZ3 3.81Å; F221-T228 HydrophobicContact CB-CG2 3.96Å; F221-T228 HydrophobicContact CD1-CG2 4.08Å; F221-T228 HydrophobicContact CG-CG2 4.27Å; F221-L230 HydrophobicContact CD1-CD1 4.25Å; F221-L230 HydrophobicContact CE1-CD1 3.42Å; F221-L230 VanDerWaalsContact CE1-CD1 3.42Å; F221-L230 HydrophobicContact CZ-CD1 3.86Å; F221-A245 PolarHBondContact O-N 3.36Å
222G74.7Confident69.7Low0 Ų041.9 Ų41.90%024%0.236CC..SBendtrans68.12.5-177.700000115D218 Y823D218-G222 PolarHBondContact O-N 3.28Å; G222-Y823 VanDerWaalsContact CA-CE2 3.46Å
223F76.1Confident69.2Low11 Ų1143.9 Ų43.95%0.04824%0.238CC..SBendtrans-150.2152.3-175.2-76.3-83.1000109.2V101 F221 W225 T228 A245 I815V101-F223 HydrophobicContact CG1-CE2 3.83Å; V101-F223 HydrophobicContact CG1-CZ 3.78Å; V101-F223 HydrophobicContact CG2-CE2 4.17Å; V101-F223 HydrophobicContact CG2-CZ 4.1Å; F221-F223 PolarHBondContact O-N 2.94Å; F221-F223 VanDerWaalsContact O-N 3.09Å; F223-W225 PolarHBondContact O-N 2.98Å; F223-T228 HydrophobicContact CB-CG2 3.92Å; F223-A245 HydrophobicContact CD2-CB 3.96Å; F223-A245 HydrophobicContact CE2-CB 3.61Å; F223-I815 HydrophobicContact CE1-CG2 3.9Å
224P74.1Confident69Low17 Ų1741.3 Ų41.311%0.1122%0.22CC..  trans-65.7129.917718.8-19000110.6D218 K226 T227 T228 Y818D218-P224 WeakPolarHBondContact OD2-CA 3.35Å; P224-K226 PolarHBondContact O-N 2.89Å; P224-T227 WeakPolarHBondContact CD-OG1 3.38Å; P224-T227 HydrophobicContact CG-CG2 3.98Å; P224-T227 WeakPolarHBondContact CG-OG1 3.4Å; P224-T227 WeakPolarHBondContact O-CA 3.49Å; P224-T227 PolarHBondContact O-N 3.07Å; P224-T227 PolarHBondContact O-OG1 3.39Å; P224-T228 PolarHBondContact O-N 2.68Å; P224-Y818 HydrophobicContact CB-CE1 4.35Å; P224-Y818 HydrophobicContact CB-CE2 3.88Å; P224-Y818 VanDerWaalsContact CD-CE1 3.48Å; P224-Y818 HydrophobicContact CG-CD1 4.25Å; P224-Y818 HydrophobicContact CG-CD2 4.08Å; P224-Y818 HydrophobicContact CG-CE1 3.91Å; P224-Y818 HydrophobicContact CG-CE2 3.69Å; P224-Y818 HydrophobicContact CG-CG 4.35Å
225W73.8Confident68.4Low55 Ų5545.6 Ų45.621%0.20822%0.223CC..THydrogen-bonded Turntrans-53.8-29.2-174.3175.5-105.9000113.8I208 L217 D218 F221 F223 T227 T228 L230I208-W225 HydrophobicContact CG2-CH2 4.11Å; I208-W225 HydrophobicContact CG2-CZ2 4.24Å; L217-W225 HydrophobicContact CD1-CE3 4.26Å; L217-W225 HydrophobicContact CD1-CZ3 4.26Å; L217-W225 HydrophobicContact CD2-CB 4.18Å; L217-W225 HydrophobicContact CD2-CD2 3.37Å; L217-W225 HydrophobicContact CD2-CE3 3.59Å; L217-W225 HydrophobicContact CD2-CG 3.64Å; L217-W225 HydrophobicContact CD2-CH2 4.36Å; L217-W225 HydrophobicContact CD2-CZ2 4.2Å; L217-W225 HydrophobicContact CD2-CZ3 4.08Å; L217-W225 HydrophobicContact CG-CB 4.46Å; L217-W225 HydrophobicContact CG-CD2 3.98Å; L217-W225 HydrophobicContact CG-CE3 3.71Å; L217-W225 HydrophobicContact CG-CG 4.31Å; L217-W225 HydrophobicContact CG-CZ3 4.21Å; D218-W225 VanDerWaalsContact OD1-CB 3.28Å; D218-W225 WeakPolarHBondContact OD1-CB 3.47Å; D218-W225 PolarHBondContact OD1-N 3.2Å; F221-W225 HydrophobicContact CD2-CE3 4.29Å; F221-W225 HydrophobicContact CD2-CZ3 4.3Å; F221-W225 HydrophobicContact CE1-CZ3 4.27Å; F221-W225 HydrophobicContact CE2-CE3 4.26Å; F221-W225 AromaticContact CE2-CZ3 3.82Å; F221-W225 HydrophobicContact CE2-CZ3 3.82Å; F221-W225 AromaticContact CZ-CZ3 3.81Å; F221-W225 HydrophobicContact CZ-CZ3 3.81Å; F223-W225 PolarHBondContact O-N 2.98Å; W225-T227 PolarHBondContact O-N 2.92Å; W225-T228 PolarHBondContact O-OG1 3.21Å; W225-T228 VanDerWaalsContact O-OG1 3.06Å; W225-L230 HydrophobicContact CE3-CB 4.3Å; W225-L230 HydrophobicContact CE3-CD1 4.45Å; W225-L230 HydrophobicContact CH2-CB 3.72Å; W225-L230 HydrophobicContact CH2-CD1 4Å; W225-L230 HydrophobicContact CH2-CG 4.49Å; W225-L230 HydrophobicContact CZ2-CB 4.07Å; W225-L230 HydrophobicContact CZ3-CB 3.85Å; W225-L230 HydrophobicContact CZ3-CD1 3.63Å; W225-L230 HydrophobicContact CZ3-CG 4.4Å
226K69.6Low67.9Low130 Ų13043.6 Ų43.657%0.56522%0.217SC*.THydrogen-bonded Turntrans-60-31.2173.2-63.4-176.8-178.5-178.90112.4P224 S231P224-K226 PolarHBondContact O-N 2.89Å; K226-S231 PolarHBondContact O-OG 2.86Å; K226-S231 VanDerWaalsContact O-OG 3.07Å
227T67.5Low67.4Low52 Ų5245 Ų4532%0.31923%0.228SC..THydrogen-bonded Turntrans-104.4-16.1-173.369.70000115.3P224 W225 G229P224-T227 WeakPolarHBondContact CD-OG1 3.38Å; P224-T227 HydrophobicContact CG-CG2 3.98Å; P224-T227 WeakPolarHBondContact CG-OG1 3.4Å; P224-T227 WeakPolarHBondContact O-CA 3.49Å; P224-T227 PolarHBondContact O-N 3.07Å; P224-T227 PolarHBondContact O-OG1 3.39Å; W225-T227 PolarHBondContact O-N 2.92Å; T227-G229 PolarHBondContact O-N 2.86Å
228T70.8Confident66.5Low0 Ų052.7 Ų52.70%026%0.256CS..SBendtrans-62.3-4.6179.858.30000114.4F221 F223 P224 W225 L230 V242 T243F221-T228 HydrophobicContact CB-CG2 3.96Å; F221-T228 HydrophobicContact CD1-CG2 4.08Å; F221-T228 HydrophobicContact CG-CG2 4.27Å; F223-T228 HydrophobicContact CB-CG2 3.92Å; P224-T228 PolarHBondContact O-N 2.68Å; W225-T228 PolarHBondContact O-OG1 3.21Å; W225-T228 VanDerWaalsContact O-OG1 3.06Å; T228-L230 PolarHBondContact O-N 2.86Å; T228-L230 PolarHBondContact OG1-N 3.42Å; T228-V242 CarbonylContact O-C 3.45Å; T228-V242 VanDerWaalsContact O-CA 3.27Å; T228-V242 WeakPolarHBondContact O-CA 3.16Å; T228-V242 WeakPolarHBondContact O-CG1 3.32Å; T228-T243 WeakPolarHBondContact CA-O 3.44Å; T228-T243 WeakPolarHBondContact CB-O 3.45Å; T228-T243 PolarHBondContact O-N 3.37Å
229G68.1Low65.9Low14 Ų1455.9 Ų55.914%0.14427%0.27CS..SBendtrans78.7-2.1-171.700000114.1T227 R240T227-G229 PolarHBondContact O-N 2.86Å; G229-R240 VanDerWaalsContact O-CZ 3.23Å; G229-R240 PolarHBondContact O-NE 3.5Å; G229-R240 PolarHBondContact O-NH2 3.14Å
230L69.5Low65.5Low14 Ų1457 Ų577%0.07327%0.274CS..  trans-93.1-13.2-179.6-67.3174.1000114.7I115 L123 F221 W225 T228 V242I115-L230 HydrophobicContact CD1-CD2 3.89Å; L123-L230 HydrophobicContact CD1-CD2 3.84Å; F221-L230 HydrophobicContact CD1-CD1 4.25Å; F221-L230 HydrophobicContact CE1-CD1 3.42Å; F221-L230 VanDerWaalsContact CE1-CD1 3.42Å; F221-L230 HydrophobicContact CZ-CD1 3.86Å; W225-L230 HydrophobicContact CE3-CB 4.3Å; W225-L230 HydrophobicContact CE3-CD1 4.45Å; W225-L230 HydrophobicContact CH2-CB 3.72Å; W225-L230 HydrophobicContact CH2-CD1 4Å; W225-L230 HydrophobicContact CH2-CG 4.49Å; W225-L230 HydrophobicContact CZ2-CB 4.07Å; W225-L230 HydrophobicContact CZ3-CB 3.85Å; W225-L230 HydrophobicContact CZ3-CD1 3.63Å; W225-L230 HydrophobicContact CZ3-CG 4.4Å; T228-L230 PolarHBondContact O-N 2.86Å; T228-L230 PolarHBondContact OG1-N 3.42Å; L230-V242 HydrophobicContact CD1-CG1 4.32Å; L230-V242 HydrophobicContact CD2-CG1 4.03Å; L230-V242 HydrophobicContact CD2-CG2 3.78Å; L230-V242 HydrophobicContact CG-CG1 3.95Å; L230-V242 HydrophobicContact CG-CG2 4.22Å
231S66.2Low65Low18 Ų1860.7 Ų60.713%0.12630%0.297CS..SBendtrans-64.2150.4-17867.30000113.7K226 L233 R240K226-S231 PolarHBondContact O-OG 2.86Å; K226-S231 VanDerWaalsContact O-OG 3.07Å; S231-L233 PolarHBondContact O-N 3.27Å; S231-R240 PolarHBondContact O-NH2 3.49Å
232K53.8Low64.9Low201 Ų20160.2 Ų60.287%0.87430%0.295SS*.THydrogen-bonded Turntrans-64.6-14.3177.6-75.3-172.3175.7-175.80114.2S234K232-S234 VanDerWaalsContact C-N 3.32Å; K232-S234 PolarHBondContact O-N 3.25Å
233L50.1Low65.1Low101 Ų10160.3 Ų60.353%0.52930%0.295SS..THydrogen-bonded Turntrans-9011.2-171.4-147.580.5000114.3S231 N801S231-L233 PolarHBondContact O-N 3.27Å; L233-N801 WeakPolarHBondContact CD2-OD1 3.42Å
234S50.2Low65.5Low40 Ų4059.9 Ų59.928%0.2829%0.293SS..SBendtrans-87.1130177-171.10000110.8K232 R240K232-S234 VanDerWaalsContact C-N 3.32Å; K232-S234 PolarHBondContact O-N 3.25Å; S234-R240 VanDerWaalsContact CB-CZ 3.48Å
235R47.8Very low66Low131 Ų13159 Ų5949%0.49429%0.288SS..  trans-57142.2175.2-86-177.2161.5136.1-19111.1S237 T804R235-S237 PolarHBondContact O-N 3.25Å; R235-S237 VanDerWaalsContact O-N 3.12Å; R235-T804 WeakPolarHBondContact CD-O 2.93Å; R235-T804 PolarHBondContact NH1-O 3.44Å
236C56.5Low66.7Low62 Ų6256.5 Ų56.542%0.41928%0.279SS..  trans-44.7117.3164.8-830000110.3P111 C113P111-C236 HydrophobicContact CB-CB 4.46Å; P111-C236 PolarHBondContact O-SG 3.31Å; P111-C236 VanDerWaalsContact O-SG 3.37Å; C113-C236 WeakPolarHBondContact CA-SG 3.27Å; C113-C236 HydrophobicContact CB-CB 4.35Å; C113-C236 WeakPolarHBondContact CB-SG 3.43Å; C113-C236 PolarHBondContact N-SG 3.49Å; C113-C236 VanDerWaalsContact SG-CA 3.52Å; C113-C236 WeakPolarHBondContact SG-CB 3.35Å; C113-C236 PolarHBondContact SG-N 3.35Å; C113-C236 VanDerWaalsContact SG-N 3.36Å; C113-C236 CovalentContact SG-SG 2.03Å; C113-C236 PolarHBondContact SG-SG 3.34Å
237S60.2Low67.4Low43 Ų4350.4 Ų50.430%0.30125%0.252SS..  trans-144.4145.1179.263.30000110.4R235 E239R235-S237 PolarHBondContact O-N 3.25Å; R235-S237 VanDerWaalsContact O-N 3.12Å; S237-E239 PolarHBondContact O-N 3.18Å; S237-E239 PolarHBondContact OG-O 3.22Å
238R55.5Low68.2Low165 Ų16547.9 Ų47.962%0.62324%0.237SC*.SBendtrans-70.5-18.9175.3-87.6-177.8157.3157.3-4.1113.9I107 T108 K109 P111I107-R238 WeakPolarHBondContact CA-O 3.32Å; T108-R238 PolarHBondContact N-O 3.22Å; T108-R238 VanDerWaalsContact N-O 3.1Å; K109-R238 PolarHBondContact O-NE 3.16Å; K109-R238 PolarHBondContact O-NH2 3.25Å; P111-R238 HydrophobicContact CB-CG 4.39Å
239E63.6Low68.7Low106 Ų10648.2 Ų48.250%0.49524%0.239SC..EExtended strand (participates in β ladder)trans-130.5127.1178-54.4-160.6124.600108.6K105 I106 I107 S237K105-E239 VanDerWaalsContact CE-OE1 3.25Å; K105-E239 WeakPolarHBondContact CE-OE1 3.32Å; K105-E239 VanDerWaalsContact CE-OE2 3.23Å; K105-E239 WeakPolarHBondContact CE-OE2 3.48Å; K105-E239 IonicContact NZ-OE1 3.34Å; K105-E239 PolarHBondContact NZ-OE1 3.47Å; K105-E239 IonicContact NZ-OE2 2.69Å; K105-E239 PolarHBondContact NZ-OE2 3.44Å; I106-E239 WeakPolarHBondContact O-CA 3.38Å; I107-E239 HydrophobicContact CG1-CG 4.36Å; S237-E239 PolarHBondContact O-N 3.18Å; S237-E239 PolarHBondContact OG-O 3.22Å
240R68.1Low69.2Low26 Ų2647.6 Ų47.610%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-137.5122.7-176.9-173.3170.1179151-0.1109.5I106 G229 S231 S234I106-R240 PolarHBondContact N-O 3.05Å; I106-R240 PolarHBondContact O-N 3.5Å; G229-R240 VanDerWaalsContact O-CZ 3.23Å; G229-R240 PolarHBondContact O-NE 3.5Å; G229-R240 PolarHBondContact O-NH2 3.14Å; S231-R240 PolarHBondContact O-NH2 3.49Å; S234-R240 VanDerWaalsContact CB-CZ 3.48Å
241T70.4Confident69.6Low78 Ų7852.7 Ų52.748%0.47925%0.25SS..EExtended strand (participates in β ladder)trans-92.3119.6175.648.10000110K105K105-T241 HydrophobicContact CB-CG2 4.37Å; K105-T241 HydrophobicContact CG-CG2 4.27Å
242V76Confident69.8Low0 Ų055 Ų550%026%0.259CS..EExtended strand (participates in β ladder)trans-99.9138.7168.5167.80000108.9S104 I106 L123 T228 L230S104-V242 PolarHBondContact N-O 2.92Å; S104-V242 PolarHBondContact O-N 3.5Å; I106-V242 HydrophobicContact CD1-CB 4.36Å; I106-V242 HydrophobicContact CD1-CG2 3.66Å; L123-V242 HydrophobicContact CD1-CB 4.35Å; L123-V242 HydrophobicContact CD1-CG1 3.86Å; L123-V242 HydrophobicContact CD1-CG2 4.3Å; L123-V242 HydrophobicContact CD2-CB 4.43Å; L123-V242 HydrophobicContact CD2-CG1 4Å; T228-V242 CarbonylContact O-C 3.45Å; T228-V242 VanDerWaalsContact O-CA 3.27Å; T228-V242 WeakPolarHBondContact O-CA 3.16Å; T228-V242 WeakPolarHBondContact O-CG1 3.32Å; L230-V242 HydrophobicContact CD1-CG1 4.32Å; L230-V242 HydrophobicContact CD2-CG1 4.03Å; L230-V242 HydrophobicContact CD2-CG2 3.78Å; L230-V242 HydrophobicContact CG-CG1 3.95Å; L230-V242 HydrophobicContact CG-CG2 4.22Å
243T79.5Confident70.5Confident2 Ų250.6 Ų50.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-138.4127.2-176.461.30000111.3T102 H103 T228 W810T102-T243 VanDerWaalsContact O-CA 3.29Å; T102-T243 WeakPolarHBondContact O-CA 3.31Å; H103-T243 HydrophobicContact CB-CG2 4.41Å; H103-T243 WeakPolarHBondContact ND1-CG2 3.27Å; T228-T243 WeakPolarHBondContact CA-O 3.44Å; T228-T243 WeakPolarHBondContact CB-O 3.45Å; T228-T243 PolarHBondContact O-N 3.37Å; T243-W810 HydrophobicContact CG2-CH2 3.72Å; T243-W810 HydrophobicContact CG2-CZ2 3.89Å
244Y85Confident71.7Confident2 Ų248.3 Ų48.31%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-137.1153.6175.962.7-97.5000110.1T102 L123 S127 P186T102-Y244 HydrophobicContact CG2-CD2 4.18Å; T102-Y244 HydrophobicContact CG2-CE2 3.58Å; T102-Y244 PolarHBondContact N-O 3.23Å; T102-Y244 PolarHBondContact O-N 2.99Å; T102-Y244 WeakPolarHBondContact OG1-CD1 3.48Å; T102-Y244 VanDerWaalsContact OG1-CD2 3.28Å; T102-Y244 WeakPolarHBondContact OG1-CD2 3.32Å; T102-Y244 WeakPolarHBondContact OG1-CE1 2.98Å; T102-Y244 WeakPolarHBondContact OG1-CE2 3.4Å; T102-Y244 VanDerWaalsContact OG1-CG 3.25Å; T102-Y244 PolarHBondContact OG1-O 2.97Å; T102-Y244 VanDerWaalsContact OG1-O 3.13Å; L123-Y244 HydrophobicContact CD2-CE1 4.27Å; S127-Y244 PolarHBondContact N-OH 3.06Å; P186-Y244 HydrophobicContact CG-CD2 3.81Å; P186-Y244 HydrophobicContact CG-CE2 4.48Å; P186-Y244 HydrophobicContact CG-CG 4Å
245A84.4Confident72.5Confident0 Ų050 Ų500%023%0.233CC..EExtended strand (participates in β ladder)trans-114.4129172.400000110.9Q99 I100 V101 F221 F223Q99-A245 HydrophobicContact CB-CB 4.38Å; I100-A245 WeakPolarHBondContact O-CA 3.46Å; V101-A245 HydrophobicContact CG2-CB 4.08Å; F221-A245 PolarHBondContact O-N 3.36Å; F223-A245 HydrophobicContact CD2-CB 3.96Å; F223-A245 HydrophobicContact CE2-CB 3.61Å
246L87.2Confident73.6Confident2 Ų246 Ų461%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-72.4134.7156.9-148.580.7000107.7Q99 I100 I130 V131 V134 M183 A185 L248Q99-L246 CarbonylContact C-O 3.48Å; Q99-L246 VanDerWaalsContact CA-O 3.29Å; Q99-L246 WeakPolarHBondContact CA-O 3.45Å; I100-L246 HydrophobicContact CB-CB 4Å; I100-L246 HydrophobicContact CD1-CD2 4.18Å; I100-L246 PolarHBondContact N-O 3Å; I100-L246 PolarHBondContact O-N 3.39Å; I130-L246 HydrophobicContact CG2-CD2 4.13Å; V131-L246 HydrophobicContact CG2-CD1 3.76Å; V131-L246 HydrophobicContact CG2-CD2 4.39Å; V134-L246 HydrophobicContact CG2-CD2 4.35Å; M183-L246 HydrophobicContact SD-CD2 4.17Å; A185-L246 HydrophobicContact CB-CD1 3.43Å; A185-L246 VanDerWaalsContact CB-CD1 3.43Å; L246-L248 HydrophobicContact CD2-CD2 4.2Å; L246-L248 HydrophobicContact CD2-CG 4.43Å
247T84.4Confident74.7Confident1 Ų143.1 Ų43.11%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-115.8125.4176.1-63.50000109.2M97 M183 L184 Y823 W824M97-T247 HydrophobicContact CE-CG2 3.78Å; M97-T247 HydrophobicContact CG-CG2 4.48Å; M183-T247 CarbonylContact C-O 3.51Å; M183-T247 WeakPolarHBondContact CA-O 3.24Å; L184-T247 PolarHBondContact N-O 3.34Å; L184-T247 PolarHBondContact O-N 3.25Å; T247-Y823 PolarHBondContact OG1-OH 3.03Å; T247-W824 HydrophobicContact CG2-CZ3 4.08Å
248L85.2Confident75.5Confident0 Ų042.2 Ų42.20%020%0.197CC..EExtended strand (participates in β ladder)trans-119.5129.4179.8-60.5172.1000109.4L98 I100 V134 F151 M183 L246 F250L98-L248 HydrophobicContact CB-CB 4.4Å; L98-L248 HydrophobicContact CD2-CD1 4.39Å; L98-L248 PolarHBondContact N-O 3.4Å; L98-L248 PolarHBondContact O-N 2.84Å; I100-L248 HydrophobicContact CD1-CD1 3.89Å; V134-L248 HydrophobicContact CG1-CD1 4.2Å; V134-L248 HydrophobicContact CG1-CD2 4.06Å; V134-L248 HydrophobicContact CG2-CD1 4.3Å; F151-L248 HydrophobicContact CE1-CD2 4.5Å; F151-L248 HydrophobicContact CE2-CB 4.27Å; F151-L248 HydrophobicContact CE2-CD2 3.96Å; F151-L248 HydrophobicContact CZ-CD2 3.78Å; M183-L248 HydrophobicContact CB-CD2 4.1Å; M183-L248 HydrophobicContact CG-CD2 3.7Å; M183-L248 HydrophobicContact SD-CD2 3.52Å; M183-L248 VanDerWaalsContact SD-CD2 3.52Å; L246-L248 HydrophobicContact CD2-CD2 4.2Å; L246-L248 HydrophobicContact CD2-CG 4.43Å; L248-F250 HydrophobicContact CB-CD2 4.46Å; L248-F250 HydrophobicContact CB-CE2 3.61Å; L248-F250 HydrophobicContact CB-CZ 4.09Å; L248-F250 HydrophobicContact CD1-CZ 4.34Å
249V80.8Confident76.2Confident7 Ų737.1 Ų37.14%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-115128.8177.9-166.80000110.4Y96 M97 F156 L182Y96-V249 WeakPolarHBondContact O-CA 3.49Å; M97-V249 HydrophobicContact CE-CG2 3.6Å; F156-V249 HydrophobicContact CB-CB 4.07Å; F156-V249 HydrophobicContact CB-CG1 3.74Å; F156-V249 HydrophobicContact CG-CG1 4.23Å; F156-V249 PolarHBondContact N-O 3.49Å; L182-V249 HydrophobicContact CB-CB 4.2Å; L182-V249 HydrophobicContact CB-CG2 4.44Å; L182-V249 HydrophobicContact CD2-CB 4.11Å; L182-V249 HydrophobicContact CD2-CG1 4.35Å; L182-V249 HydrophobicContact CD2-CG2 3.89Å; L182-V249 HydrophobicContact CG-CB 4.13Å; L182-V249 HydrophobicContact CG-CG2 3.86Å; L182-V249 PolarHBondContact O-N 3.45Å; L182-V249 VanDerWaalsContact O-N 3.14Å
250F79.4Confident77Confident0 Ų034.7 Ų34.70%018%0.175CC..EExtended strand (participates in β ladder)trans-116.4143.6-176.3-60.9-96.2000110.4G95 Y96 L98 F151 I154 L248 F257 F258G95-F250 CarbonylContact C-O 3.49Å; G95-F250 VanDerWaalsContact CA-O 3.28Å; G95-F250 WeakPolarHBondContact CA-O 3.38Å; Y96-F250 PolarHBondContact N-O 2.76Å; Y96-F250 PolarHBondContact O-N 2.81Å; L98-F250 HydrophobicContact CB-CE2 3.99Å; L98-F250 HydrophobicContact CD2-CE2 4.37Å; F151-F250 HydrophobicContact CD2-CD1 4.48Å; F151-F250 AromaticContact CD2-CE1 3.63Å; F151-F250 HydrophobicContact CD2-CE1 3.63Å; F151-F250 AromaticContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CD2-CZ 3.93Å; F151-F250 HydrophobicContact CE2-CD1 4.31Å; F151-F250 AromaticContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE1 3.66Å; F151-F250 HydrophobicContact CE2-CE2 4.39Å; F151-F250 AromaticContact CE2-CZ 3.7Å; F151-F250 HydrophobicContact CE2-CZ 3.7Å; I154-F250 HydrophobicContact CB-CD1 4.25Å; I154-F250 HydrophobicContact CG2-CD1 4.03Å; I154-F250 CarbonylContact O-C 3.55Å; I154-F250 WeakPolarHBondContact O-CA 3.47Å; L248-F250 HydrophobicContact CB-CD2 4.46Å; L248-F250 HydrophobicContact CB-CE2 3.61Å; L248-F250 HydrophobicContact CB-CZ 4.09Å; L248-F250 HydrophobicContact CD1-CZ 4.34Å; F250-F257 HydrophobicContact CE1-CD1 4.42Å; F250-F257 AromaticContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CZ-CE1 4.42Å; F250-F258 HydrophobicContact CB-CZ 4.47Å; F250-F258 HydrophobicContact CD1-CE1 4.38Å; F250-F258 HydrophobicContact CD1-CZ 4.13Å; F250-F258 AromaticContact CD2-CE1 3.85Å; F250-F258 HydrophobicContact CD2-CE1 3.85Å; F250-F258 AromaticContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CE1-CE1 4.11Å; F250-F258 HydrophobicContact CE1-CZ 4.31Å; F250-F258 AromaticContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CZ 4.04Å; F250-F258 HydrophobicContact CG-CE1 4.26Å; F250-F258 AromaticContact CG-CZ 3.89Å; F250-F258 HydrophobicContact CG-CZ 3.89Å; F250-F258 AromaticContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CZ 4.27Å
251R77.1Confident77.6Confident122 Ų12233.6 Ų33.646%0.4617%0.171SC..SBendtrans-72.8-37.7172.7-172179.870.8-141-2.9111.6I154I154-R251 PolarHBondContact O-N 3.32Å
252E71.1Confident77.8Confident66 Ų6634 Ų3431%0.30816%0.164SC..SBendtrans-128.1153.3-172.1-73.6159-134.900111.8I154 K254I154-E252 HydrophobicContact CG2-CB 4.2Å; E252-K254 WeakPolarHBondContact OE2-CE 3.5Å; E252-K254 IonicContact OE2-NZ 2.73Å; E252-K254 PolarHBondContact OE2-NZ 2.86Å
253Y69.4Low77.8Confident109 Ų10938 Ų3843%0.42719%0.185SC..  trans-106.1107.7176.1179.7-101.3000111.8Y96 P255 F258 L843Y96-Y253 HydrophobicContact CD1-CD2 4.07Å; Y96-Y253 HydrophobicContact CD1-CG 4.08Å; Y96-Y253 VanDerWaalsContact CE1-CB 3.45Å; Y96-Y253 HydrophobicContact CE1-CD2 4.49Å; Y96-Y253 HydrophobicContact CE1-CG 4.07Å; Y253-P255 HydrophobicContact CE1-CB 3.98Å; Y253-P255 HydrophobicContact CE1-CG 4.2Å; Y253-F258 AromaticContact CD2-CD2 3.71Å; Y253-F258 HydrophobicContact CD2-CD2 3.71Å; Y253-F258 AromaticContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CZ 4.25Å; Y253-F258 AromaticContact CE2-CD2 3.59Å; Y253-F258 HydrophobicContact CE2-CD2 3.59Å; Y253-F258 AromaticContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CG-CE2 4.18Å; Y253-L843 HydrophobicContact CD2-CD1 4.22Å; Y253-L843 HydrophobicContact CD2-CD2 3.81Å; Y253-L843 HydrophobicContact CE2-CD1 4.25Å; Y253-L843 HydrophobicContact CE2-CD2 3.59Å
254K73.3Confident78Confident53 Ų5341.1 Ų41.123%0.2320%0.197CC..  trans-115.8101.8175.2-61.3-175.3-167171.30109.1I154 E252 S256 F257 F258I154-K254 HydrophobicContact CD1-CD 4.23Å; E252-K254 WeakPolarHBondContact OE2-CE 3.5Å; E252-K254 IonicContact OE2-NZ 2.73Å; E252-K254 PolarHBondContact OE2-NZ 2.86Å; K254-S256 PolarHBondContact O-N 3.07Å; K254-F257 HydrophobicContact CB-CB 4.09Å; K254-F257 WeakPolarHBondContact O-CB 3.23Å; K254-F257 PolarHBondContact O-N 3.26Å; K254-F258 WeakPolarHBondContact O-CD2 3.5Å; K254-F258 PolarHBondContact O-N 3.3Å
255P68.6Low77.6Confident75 Ų7541.2 Ų41.249%0.48720%0.198SC..Hα-helixtrans-63.9-28.1-17223.5-33000113.5Y253 F258 S259Y253-P255 HydrophobicContact CE1-CB 3.98Å; Y253-P255 HydrophobicContact CE1-CG 4.2Å; P255-F258 PolarHBondContact O-N 3.33Å; P255-S259 PolarHBondContact O-N 2.99Å; P255-S259 PolarHBondContact O-OG 2.89Å
256S71Confident76.9Confident46 Ų4643.3 Ų43.332%0.32221%0.208SC..Hα-helixtrans-56.2-58.7170.341.70000111.3K254 F258 S259 E260K254-S256 PolarHBondContact O-N 3.07Å; S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 PolarHBondContact O-N 3.44Å; S256-S259 PolarHBondContact O-N 3.33Å; S256-S259 PolarHBondContact O-OG 3.27Å; S256-E260 PolarHBondContact O-N 3.19Å
257F79.8Confident76.3Confident3 Ų347.4 Ų47.41%0.01323%0.23CC..Hα-helixtrans-52.1-44.3177.1-175.9-83.7000112.2F137 Q149 I154 F250 K254 E260 L261F137-F257 HydrophobicContact CD1-CE1 4.4Å; F137-F257 AromaticContact CD1-CE2 3.93Å; F137-F257 HydrophobicContact CD1-CE2 3.93Å; F137-F257 AromaticContact CD1-CZ 3.76Å; F137-F257 HydrophobicContact CD1-CZ 3.76Å; F137-F257 AromaticContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CD2 3.88Å; F137-F257 HydrophobicContact CE1-CE1 4.21Å; F137-F257 AromaticContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CE2 3.56Å; F137-F257 HydrophobicContact CE1-CG 4.34Å; F137-F257 AromaticContact CE1-CZ 3.73Å; F137-F257 HydrophobicContact CE1-CZ 3.73Å; Q149-F257 HydrophobicContact CB-CD2 4.5Å; I154-F257 HydrophobicContact CD1-CB 4.24Å; I154-F257 HydrophobicContact CD1-CD1 4.17Å; I154-F257 HydrophobicContact CD1-CD2 3.34Å; I154-F257 HydrophobicContact CD1-CE1 4.41Å; I154-F257 HydrophobicContact CD1-CE2 3.61Å; I154-F257 HydrophobicContact CD1-CG 3.66Å; I154-F257 HydrophobicContact CD1-CZ 4.16Å; F250-F257 HydrophobicContact CE1-CD1 4.42Å; F250-F257 AromaticContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CE1-CE1 3.78Å; F250-F257 HydrophobicContact CZ-CE1 4.42Å; K254-F257 HydrophobicContact CB-CB 4.09Å; K254-F257 WeakPolarHBondContact O-CB 3.23Å; K254-F257 PolarHBondContact O-N 3.26Å; F257-E260 PolarHBondContact O-N 3.07Å; F257-L261 HydrophobicContact CE1-CB 4.4Å; F257-L261 HydrophobicContact CE1-CD2 3.96Å; F257-L261 VanDerWaalsContact O-CB 3.23Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 PolarHBondContact O-N 2.96Å
258F75.7Confident75.8Confident24 Ų2448 Ų4811%0.10524%0.235CC..Hα-helixtrans-65.5-39177.3-71.6-66.2000113.5L98 F250 Y253 K254 P255 S256 R262 L843L98-F258 HydrophobicContact CD2-CD1 4.07Å; L98-F258 HydrophobicContact CD2-CE1 4.13Å; F250-F258 HydrophobicContact CB-CZ 4.47Å; F250-F258 HydrophobicContact CD1-CE1 4.38Å; F250-F258 HydrophobicContact CD1-CZ 4.13Å; F250-F258 AromaticContact CD2-CE1 3.85Å; F250-F258 HydrophobicContact CD2-CE1 3.85Å; F250-F258 AromaticContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CD2-CZ 3.83Å; F250-F258 HydrophobicContact CE1-CE1 4.11Å; F250-F258 HydrophobicContact CE1-CZ 4.31Å; F250-F258 AromaticContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CE1 3.57Å; F250-F258 HydrophobicContact CE2-CZ 4.04Å; F250-F258 HydrophobicContact CG-CE1 4.26Å; F250-F258 AromaticContact CG-CZ 3.89Å; F250-F258 HydrophobicContact CG-CZ 3.89Å; F250-F258 AromaticContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CE1 3.7Å; F250-F258 HydrophobicContact CZ-CZ 4.27Å; Y253-F258 AromaticContact CD2-CD2 3.71Å; Y253-F258 HydrophobicContact CD2-CD2 3.71Å; Y253-F258 AromaticContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CE2 3.32Å; Y253-F258 HydrophobicContact CD2-CZ 4.25Å; Y253-F258 AromaticContact CE2-CD2 3.59Å; Y253-F258 HydrophobicContact CE2-CD2 3.59Å; Y253-F258 AromaticContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CE2-CE2 3.72Å; Y253-F258 HydrophobicContact CG-CE2 4.18Å; K254-F258 WeakPolarHBondContact O-CD2 3.5Å; K254-F258 PolarHBondContact O-N 3.3Å; P255-F258 PolarHBondContact O-N 3.33Å; S256-F258 VanDerWaalsContact C-N 3.28Å; S256-F258 PolarHBondContact O-N 3.44Å; F258-R262 WeakPolarHBondContact O-CB 3.37Å; F258-R262 PolarHBondContact O-N 3.1Å; F258-R262 VanDerWaalsContact O-N 3.11Å; F258-L843 HydrophobicContact CD1-CD1 4.26Å; F258-L843 HydrophobicContact CE1-CD1 3.69Å; F258-L843 HydrophobicContact CE2-CD1 4.06Å; F258-L843 HydrophobicContact CZ-CD1 3.6Å
259S70.4Confident74.9Confident57 Ų5748.9 Ų48.940%0.39924%0.239SC..Hα-helixtrans-67.4-40.6175.555.60000112.6P255 S256 D263P255-S259 PolarHBondContact O-N 2.99Å; P255-S259 PolarHBondContact O-OG 2.89Å; S256-S259 PolarHBondContact O-N 3.33Å; S256-S259 PolarHBondContact O-OG 3.27Å; S259-D263 WeakPolarHBondContact O-CB 3.17Å; S259-D263 PolarHBondContact O-N 3.42Å
260E80.7Confident74.1Confident55 Ų5553.7 Ų53.726%0.25726%0.261SS..Hα-helixtrans-71.7-44.1179.2-67.6-177.9165.700112.6F137 S139 S140 S256 F257 R262 D263 Y264F137-E260 HydrophobicContact CE2-CB 4.1Å; F137-E260 HydrophobicContact CZ-CB 3.61Å; S139-E260 WeakPolarHBondContact CA-OE2 3.37Å; S139-E260 VanDerWaalsContact CB-OE2 3.27Å; S139-E260 WeakPolarHBondContact CB-OE2 3.42Å; S139-E260 PolarHBondContact OG-OE2 3.41Å; S140-E260 WeakPolarHBondContact CB-OE1 3.21Å; S140-E260 PolarHBondContact N-OE2 3.35Å; S140-E260 PolarHBondContact OG-OE1 3.44Å; S256-E260 PolarHBondContact O-N 3.19Å; F257-E260 PolarHBondContact O-N 3.07Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 3.29Å; E260-D263 PolarHBondContact O-N 3.43Å; E260-Y264 VanDerWaalsContact O-CB 3.23Å; E260-Y264 WeakPolarHBondContact O-CB 3.15Å; E260-Y264 PolarHBondContact O-N 3.34Å
261L81.3Confident73Confident4 Ų456.4 Ų56.42%0.02128%0.275CS..Hα-helixtrans-58.5-43.4174.5173.362.4000110.7F137 F257 L265F137-L261 HydrophobicContact CB-CD1 3.76Å; F137-L261 HydrophobicContact CD1-CB 3.89Å; F137-L261 HydrophobicContact CD1-CD1 3.67Å; F137-L261 HydrophobicContact CD1-CG 4.3Å; F137-L261 HydrophobicContact CD2-CD1 4.27Å; F137-L261 HydrophobicContact CE1-CB 3.73Å; F137-L261 HydrophobicContact CE1-CD1 4.4Å; F137-L261 HydrophobicContact CE2-CB 4.48Å; F137-L261 HydrophobicContact CG-CB 4.33Å; F137-L261 HydrophobicContact CG-CD1 3.59Å; F137-L261 HydrophobicContact CZ-CB 4.06Å; F137-L261 VanDerWaalsContact CZ-N 3.32Å; F257-L261 HydrophobicContact CE1-CB 4.4Å; F257-L261 HydrophobicContact CE1-CD2 3.96Å; F257-L261 VanDerWaalsContact O-CB 3.23Å; F257-L261 WeakPolarHBondContact O-CB 3.41Å; F257-L261 PolarHBondContact O-N 2.96Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.14Å; L261-L265 HydrophobicContact CG-CD1 3.99Å; L261-L265 WeakPolarHBondContact O-CB 3.33Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 3.12Å
262R74.2Confident72Confident87 Ų8756.5 Ų56.533%0.32828%0.276SS..Hα-helixtrans-61.1-50176.8-179.3-164.1107.7155.114.1111.6F258 E260 L265 I266F258-R262 WeakPolarHBondContact O-CB 3.37Å; F258-R262 PolarHBondContact O-N 3.1Å; F258-R262 VanDerWaalsContact O-N 3.11Å; E260-R262 VanDerWaalsContact C-N 3.29Å; E260-R262 PolarHBondContact O-N 3.29Å; R262-L265 PolarHBondContact O-N 3.26Å; R262-I266 HydrophobicContact CG-CD1 4.16Å; R262-I266 WeakPolarHBondContact O-CG1 3.25Å; R262-I266 PolarHBondContact O-N 3.06Å
263D75.5Confident71Confident83 Ų8357.8 Ų57.844%0.44428%0.282SS..Hα-helixtrans-74.1-31-175.1-69.6-7.7000111.2S259 E260 I266 D267S259-D263 WeakPolarHBondContact O-CB 3.17Å; S259-D263 PolarHBondContact O-N 3.42Å; E260-D263 PolarHBondContact O-N 3.43Å; D263-I266 PolarHBondContact O-N 2.86Å; D263-D267 PolarHBondContact O-N 3.47Å
264Y83.2Confident69.7Low68 Ų6856.6 Ų56.627%0.26728%0.279SS..Hα-helixtrans-62.9-42.8167.9174.3-98.4000112.9L133 F137 E260 I266 D267 S268L133-Y264 HydrophobicContact CB-CE1 4.33Å; L133-Y264 HydrophobicContact CD2-CE1 4.07Å; L133-Y264 WeakPolarHBondContact O-CE1 3.39Å; F137-Y264 HydrophobicContact CB-CD1 4.04Å; F137-Y264 HydrophobicContact CB-CE1 4.07Å; F137-Y264 AromaticContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD1 3.63Å; F137-Y264 HydrophobicContact CD2-CD2 4.26Å; F137-Y264 HydrophobicContact CD2-CE1 4.31Å; F137-Y264 AromaticContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CD2-CG 3.6Å; F137-Y264 HydrophobicContact CE2-CG 4.22Å; F137-Y264 HydrophobicContact CG-CD1 4.23Å; E260-Y264 VanDerWaalsContact O-CB 3.23Å; E260-Y264 WeakPolarHBondContact O-CB 3.15Å; E260-Y264 PolarHBondContact O-N 3.34Å; Y264-I266 PolarHBondContact O-N 2.66Å; Y264-D267 PolarHBondContact O-N 3.13Å; Y264-S268 WeakPolarHBondContact CE2-OG 3.28Å; Y264-S268 WeakPolarHBondContact O-CB 3.43Å; Y264-S268 PolarHBondContact O-N 3.24Å; Y264-S268 PolarHBondContact O-OG 3.48Å
265L77Confident68Low4 Ų458.7 Ų58.72%0.02129%0.292CS..Hα-helixtrans-68.7-21.3174.3-75170.2000112.9I100 L133 L261 R262 M269I100-L265 HydrophobicContact CD1-CD1 3.82Å; L133-L265 HydrophobicContact CB-CD2 3.97Å; L133-L265 HydrophobicContact CD1-CD2 4.49Å; L261-L265 HydrophobicContact CD1-CD1 3.88Å; L261-L265 HydrophobicContact CD1-CG 4.14Å; L261-L265 HydrophobicContact CG-CD1 3.99Å; L261-L265 WeakPolarHBondContact O-CB 3.33Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 3.12Å; R262-L265 PolarHBondContact O-N 3.26Å; L265-M269 WeakPolarHBondContact O-CB 3.41Å; L265-M269 WeakPolarHBondContact O-CG 3.38Å
266I70.3Confident66.8Low44 Ų4458.8 Ų58.823%0.22629%0.291CS..Hα-helixtrans-79.1-52.9171.7-70164.7000109.9R262 D263 Y264 M269 E270 L299R262-I266 HydrophobicContact CG-CD1 4.16Å; R262-I266 WeakPolarHBondContact O-CG1 3.25Å; R262-I266 PolarHBondContact O-N 3.06Å; D263-I266 PolarHBondContact O-N 2.86Å; Y264-I266 PolarHBondContact O-N 2.66Å; I266-M269 PolarHBondContact O-N 2.95Å; I266-E270 PolarHBondContact O-N 3.48Å; I266-L299 HydrophobicContact CD1-CD2 4.05Å; I266-L299 HydrophobicContact CG1-CD2 4.3Å
267D73.3Confident65Low87 Ų8760.3 Ų60.347%0.46530%0.296SS..Hα-helixtrans-66.1-45.9-175.8-176.373.8000112.9D263 Y264 M269 E270 N271D263-D267 PolarHBondContact O-N 3.47Å; Y264-D267 PolarHBondContact O-N 3.13Å; D267-M269 PolarHBondContact O-N 2.91Å; D267-E270 PolarHBondContact O-N 3.07Å; D267-E270 VanDerWaalsContact O-N 3.14Å; D267-N271 WeakPolarHBondContact O-CB 3.45Å; D267-N271 PolarHBondContact O-N 3.36Å; D267-N271 PolarHBondContact O-ND2 3.42Å; D267-N271 PolarHBondContact OD1-ND2 2.86Å; D267-N271 PolarHBondContact OD2-ND2 2.71Å
268S74.4Confident63.2Low15 Ų1565.5 Ų65.511%0.10532%0.323CS..Hα-helixtrans-59.4-34.5178.9-61.10000112.5Y264 R272Y264-S268 WeakPolarHBondContact CE2-OG 3.28Å; Y264-S268 WeakPolarHBondContact O-CB 3.43Å; Y264-S268 PolarHBondContact O-N 3.24Å; Y264-S268 PolarHBondContact O-OG 3.48Å; S268-R272 WeakPolarHBondContact O-CG 3.31Å; S268-R272 PolarHBondContact O-N 3.13Å
269M65.9Low61.3Low17 Ų1768.1 Ų68.18%0.08434%0.344CS..Hα-helixtrans-83.4-27.6179.5-64.6-57.9-43.300113L133 L265 I266 D267 Y850L133-M269 HydrophobicContact CD1-CG 4.39Å; L133-M269 HydrophobicContact CD1-SD 3.53Å; L133-M269 VanDerWaalsContact CD1-SD 3.53Å; L265-M269 WeakPolarHBondContact O-CB 3.41Å; L265-M269 WeakPolarHBondContact O-CG 3.38Å; I266-M269 PolarHBondContact O-N 2.95Å; D267-M269 PolarHBondContact O-N 2.91Å; M269-Y850 HydrophobicContact CE-CE1 3.69Å
270E64.2Low59.5Low109 Ų10972.5 Ų72.551%0.50936%0.36SS..Hα-helixtrans-74.7-38.6172.8-157.5-168.8111.800111.5I266 D267 K274I266-E270 PolarHBondContact O-N 3.48Å; D267-E270 PolarHBondContact O-N 3.07Å; D267-E270 VanDerWaalsContact O-N 3.14Å; E270-K274 WeakPolarHBondContact O-CE 3.12Å; E270-K274 VanDerWaalsContact OE1-CE 3.29Å; E270-K274 WeakPolarHBondContact OE1-CE 3.34Å; E270-K274 IonicContact OE1-NZ 3.76Å; E270-K274 PolarHBondContact OE1-NZ 2.93Å
271N57.3Low57.4Low56 Ų5678 Ų7830%0.29939%0.386SS..Hα-helixtrans-78.5-46.4-172.9-68.3-30.3000113.2D267 H273 K274D267-N271 WeakPolarHBondContact O-CB 3.45Å; D267-N271 PolarHBondContact O-N 3.36Å; D267-N271 PolarHBondContact O-ND2 3.42Å; D267-N271 PolarHBondContact OD1-ND2 2.86Å; D267-N271 PolarHBondContact OD2-ND2 2.71Å; N271-H273 PolarHBondContact O-N 3.07Å; N271-K274 WeakPolarHBondContact O-CB 3.37Å; N271-K274 PolarHBondContact O-N 3.22Å; N271-K274 PolarHBondContact OD1-NZ 2.96Å
272R55.1Low55.3Low125 Ų12583.5 Ų83.547%0.47242%0.419SS..THydrogen-bonded Turntrans-61.3-17179.2-68.6-173-170.3-164.77.1114.3S268S268-R272 WeakPolarHBondContact O-CG 3.31Å; S268-R272 PolarHBondContact O-N 3.13Å
273H50Low53.3Low93 Ų9390.1 Ų90.143%0.43144%0.444SS..THydrogen-bonded Turntrans-92.9-3.4174.1-80.620.1000114.1N271 N277N271-H273 PolarHBondContact O-N 3.07Å; H273-N277 PolarHBondContact O-ND2 3.44Å
274K41.6Very low51.3Low84 Ų8495.7 Ų95.737%0.36546%0.464SS..THydrogen-bonded Turntrans-82-42169.3-65.8166.1-167.4163.80110.7E270 N271 V276 N277 I278E270-K274 WeakPolarHBondContact O-CE 3.12Å; E270-K274 VanDerWaalsContact OE1-CE 3.29Å; E270-K274 WeakPolarHBondContact OE1-CE 3.34Å; E270-K274 IonicContact OE1-NZ 3.76Å; E270-K274 PolarHBondContact OE1-NZ 2.93Å; N271-K274 WeakPolarHBondContact O-CB 3.37Å; N271-K274 PolarHBondContact O-N 3.22Å; N271-K274 PolarHBondContact OD1-NZ 2.96Å; K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 PolarHBondContact O-N 3.25Å; K274-N277 WeakPolarHBondContact O-CB 3.45Å; K274-N277 PolarHBondContact O-N 3.36Å; K274-N277 PolarHBondContact O-ND2 2.61Å; K274-I278 PolarHBondContact O-N 3.38Å
275D39.6Very low48.9Very low96 Ų96100 Ų10051%0.51349%0.491SS..Hα-helixtrans-63.9-29-176.6-54.5-37.8000113.6N277 I278 S279D275-N277 VanDerWaalsContact C-N 3.3Å; D275-N277 PolarHBondContact O-N 2.88Å; D275-I278 PolarHBondContact O-N 3.43Å; D275-S279 PolarHBondContact O-N 2.89Å; D275-S279 PolarHBondContact O-OG 3.15Å
276V42.7Very low46.9Very low77 Ų77106.6 Ų106.647%0.46753%0.527SS..Hα-helixtrans-65.4-30.7173.9179.60000112.2K274 S279K274-V276 VanDerWaalsContact C-N 3.27Å; K274-V276 PolarHBondContact O-N 3.25Å; V276-S279 PolarHBondContact O-OG 3.44Å
277N33.6Very low45.2Very low78 Ų78112.2 Ų112.242%0.41756%0.557SS.*Hα-helixtrans-74.4-45177.6-54-52.5000110.6H273 K274 D275 S279 M280 E281H273-N277 PolarHBondContact O-ND2 3.44Å; K274-N277 WeakPolarHBondContact O-CB 3.45Å; K274-N277 PolarHBondContact O-N 3.36Å; K274-N277 PolarHBondContact O-ND2 2.61Å; D275-N277 VanDerWaalsContact C-N 3.3Å; D275-N277 PolarHBondContact O-N 2.88Å; N277-S279 PolarHBondContact O-N 3.36Å; N277-M280 PolarHBondContact O-N 2.95Å; N277-M280 VanDerWaalsContact O-N 3.12Å; N277-E281 WeakPolarHBondContact O-CB 3.12Å; N277-E281 PolarHBondContact O-N 3.45Å; N277-E281 VanDerWaalsContact O-N 3.08Å
278I40.4Very low43.1Very low113 Ų113114.1 Ų114.158%0.57957%0.572SS**Hα-helixtrans-59.5-31.9-178.2-59.8172000111.7K274 D275 T282K274-I278 PolarHBondContact O-N 3.38Å; D275-I278 PolarHBondContact O-N 3.43Å; I278-T282 PolarHBondContact O-OG1 2.65Å
279S36.4Very low40.9Very low78 Ų78117.9 Ų117.955%0.54560%0.598SS.*Hα-helixtrans-87.1-14-179.647.50000115.2D275 V276 N277D275-S279 PolarHBondContact O-N 2.89Å; D275-S279 PolarHBondContact O-OG 3.15Å; V276-S279 PolarHBondContact O-OG 3.44Å; N277-S279 PolarHBondContact O-N 3.36Å
280M33.6Very low39.2Very low149 Ų149124.7 Ų124.773%0.73464%0.635SS**Hα-helixtrans-95.7-33.9172.4-78.6-163.4168.800113.5N277 T282 R283N277-M280 PolarHBondContact O-N 2.95Å; N277-M280 VanDerWaalsContact O-N 3.12Å; M280-T282 PolarHBondContact O-N 2.96Å; M280-T282 VanDerWaalsContact O-N 3.11Å; M280-R283 PolarHBondContact O-N 3.27Å
281E35.1Very low37.5Very low172 Ų172126.1 Ų126.180%0.80465%0.651SS**THydrogen-bonded Turntrans-69.3-10.2-171.4-161159.6-140.500114N277N277-E281 WeakPolarHBondContact O-CB 3.12Å; N277-E281 PolarHBondContact O-N 3.45Å; N277-E281 VanDerWaalsContact O-N 3.08Å
282T37.3Very low36.2Very low118 Ų118127.7 Ų127.772%0.72467%0.672SS**THydrogen-bonded Turntrans-103.51.7-175.143.10000115.5I278 M280I278-T282 PolarHBondContact O-OG1 2.65Å; M280-T282 PolarHBondContact O-N 2.96Å; M280-T282 VanDerWaalsContact O-N 3.11Å
283R33.7Very low35Very low227 Ų227126.3 Ų126.386%0.85768%0.681SS**SBendtrans-132.65.5-165.9-134.9174.8-172.5168.32.1118.8M280M280-R283 PolarHBondContact O-N 3.27Å
284K32.6Very low34.3Very low200 Ų200126 Ų12687%0.8769%0.686SS**  trans-137.367.9171.6-73.3-161.9172.3-169.60113.5
285L33.3Very low33.8Very low158 Ų158124.9 Ų124.983%0.82770%0.698SS**  trans-61.5151.5146-15873.9000108.2
286N34.3Very low33.4Very low143 Ų143126.4 Ų126.477%0.76570%0.702SS**SBendtrans61.970.1179.1-53.7-9.6000115.6
287D34.3Very low33Very low162 Ų162126.1 Ų126.187%0.86670%0.697SS**  -165156.3113.7-115.4-30.6000112.8
288T29.8Very low32.9Very low127 Ų127128.8 Ų128.878%0.77971%0.705SS**  trans-90.2144.1-171.448.40000115.1
289S29.1Very low32.4Very low94 Ų94126.8 Ų126.866%0.65770%0.695SS**SBendtrans89.6119.4167.282.90000119
290N28.9Very low32.3Very low160 Ų160128.1 Ų128.186%0.85670%0.7SS**  trans73.236.5145.5-55.3-28.9000120.5
291T28.7Very low32.3Very low139 Ų139126.6 Ų126.685%0.85369%0.686SS**  trans-132.695.9164.655.90000114.3
292A29.8Very low32.3Very low89 Ų89128.8 Ų128.874%0.73669%0.688SS**  trans-151.5115.7158.200000108.7
293S31.2Very low32.5Very low95 Ų95126.8 Ų126.866%0.66468%0.679SS**  cis84.856.448.578.90000115
294V34.9Very low32.9Very low88 Ų88123.7 Ų123.753%0.53368%0.68SS.*  trans-136.4116.2165.5-164.80000112.1H296V294-H296 WeakPolarHBondContact CG1-NE2 3.04Å
295G30.1Very low33.4Very low59 Ų59122 Ų12261%0.60867%0.668SS**  trans-105.678.4179.700000113.3I297G295-I297 PolarHBondContact O-N 2.84Å
296H31Very low34.1Very low129 Ų129118.1 Ų118.160%0.59765%0.654SS**  trans-76.4112.7175.3-70.6-60.5000112.5V294 F298V294-H296 WeakPolarHBondContact CG1-NE2 3.04Å; H296-F298 HydrophobicContact CB-CD2 4.14Å; H296-F298 HydrophobicContact CB-CE2 3.51Å; H296-F298 HydrophobicContact CB-CZ 3.96Å; H296-F298 WeakPolarHBondContact O-CD2 3.38Å
297I34.1Very low35.1Very low71 Ų71117 Ų11736%0.36464%0.64SS.*  trans-73.4132.2162.9-63.9174.4000108.2G295G295-I297 PolarHBondContact O-N 2.84Å
298F32.8Very low36.1Very low133 Ų133118.3 Ų118.358%0.58364%0.638SS**  trans-120101177-73.3-86.6000109.8H296H296-F298 HydrophobicContact CB-CD2 4.14Å; H296-F298 HydrophobicContact CB-CE2 3.51Å; H296-F298 HydrophobicContact CB-CZ 3.96Å; H296-F298 WeakPolarHBondContact O-CD2 3.38Å
299L28.9Very low37.4Very low72 Ų72114.8 Ų114.838%0.37762%0.622SS.*  trans-83.7117.6179-158.171.4000109.8I266 W301 H847I266-L299 HydrophobicContact CD1-CD2 4.05Å; I266-L299 HydrophobicContact CG1-CD2 4.3Å; L299-W301 VanDerWaalsContact CD2-NE1 3.27Å; L299-H847 VanDerWaalsContact CD1-O 3.3Å; L299-H847 WeakPolarHBondContact CD1-O 3.25Å
300V35.2Very low38.8Very low106 Ų106113.5 Ų113.564%0.64261%0.608SS**  trans-106.8110.2-177.4179.80000109.5
301W32.4Very low40.5Very low117 Ų117111 Ų11144%0.44359%0.587SS.*  trans-99.5125.9177.5-83.686.7000111.8L299L299-W301 VanDerWaalsContact CD2-NE1 3.27Å
302Y36.6Very low42.4Very low218 Ų218106.8 Ų106.886%0.85557%0.567SS**  trans-103.2110.3160.2-102.9-86.4000107.7
303S41.5Very low44.3Very low75 Ų75105.9 Ų105.952%0.52455%0.553SS.*  trans-154.3129.1174.6-179.70000107.3R305S303-R305 PolarHBondContact O-N 2.71Å
304D41.9Very low46Very low163 Ų163103.2 Ų103.287%0.87253%0.531SS*.  trans-75.564.2-175.8-82.6-27.6000111.8S306D304-S306 VanDerWaalsContact C-N 3.35Å; D304-S306 PolarHBondContact O-N 3.21Å
305R41.9Very low47.6Very low163 Ų163104.5 Ų104.562%0.61554%0.535SS*.  trans-73.990.1164.5-79.3-171.4166.4170.2-0.2109.4E62 S303 Y307E62-R305 IonicContact OE1-NE 3.84Å; E62-R305 IonicContact OE1-NH2 3.71Å; S303-R305 PolarHBondContact O-N 2.71Å; R305-Y307 WeakPolarHBondContact O-CD2 3.31Å; R305-Y307 WeakPolarHBondContact O-CE2 3.35Å; R305-Y307 PolarHBondContact O-N 3.32Å; R305-Y307 VanDerWaalsContact O-N 3.09Å
306S49.1Very low49.7Very low77 Ų77108.1 Ų108.154%0.53853%0.534SS..  trans-50.8112.8168.5-50.30000110.2D304D304-S306 VanDerWaalsContact C-N 3.35Å; D304-S306 PolarHBondContact O-N 3.21Å
307Y54.5Low51.8Low119 Ų119103.3 Ų103.347%0.46751%0.512SS..  trans-81.4154178.4-75.8-91.2000110R305 A309 D310 T916R305-Y307 WeakPolarHBondContact O-CD2 3.31Å; R305-Y307 WeakPolarHBondContact O-CE2 3.35Å; R305-Y307 PolarHBondContact O-N 3.32Å; R305-Y307 VanDerWaalsContact O-N 3.09Å; Y307-A309 PolarHBondContact O-N 2.8Å; Y307-D310 WeakPolarHBondContact CA-OD2 3.42Å; Y307-D310 WeakPolarHBondContact CB-OD2 3.01Å; Y307-D310 PolarHBondContact N-OD2 3.43Å; Y307-D310 PolarHBondContact O-N 3.35Å; Y307-T916 HydrophobicContact CD2-CG2 4.31Å
308F55.7Low53.6Low190 Ų190103.2 Ų103.283%0.83351%0.508SS*.THydrogen-bonded Turntrans-57.5-17.3172.8-124.9-80.7000113.3
309A56.7Low55.6Low53 Ų53100.1 Ų100.144%0.43850%0.499SS..THydrogen-bonded Turntrans-69.9-37.9172.900000112.9Y307 Y311 A312Y307-A309 PolarHBondContact O-N 2.8Å; A309-Y311 VanDerWaalsContact C-N 3.29Å; A309-Y311 PolarHBondContact O-N 3.29Å; A309-A312 VanDerWaalsContact O-CB 3.3Å; A309-A312 WeakPolarHBondContact O-CB 3.31Å; A309-A312 PolarHBondContact O-N 2.82Å; A309-A312 VanDerWaalsContact O-N 3.13Å
310D57.9Low57.9Low68 Ų68100.5 Ų100.536%0.36450%0.501SS..THydrogen-bonded Turntrans-69.4-31.3-176.2-51.8-55.2000110.8Y307 P313 T916Y307-D310 WeakPolarHBondContact CA-OD2 3.42Å; Y307-D310 WeakPolarHBondContact CB-OD2 3.01Å; Y307-D310 PolarHBondContact N-OD2 3.43Å; Y307-D310 PolarHBondContact O-N 3.35Å; D310-P313 WeakPolarHBondContact O-CD 3.28Å; D310-T916 PolarHBondContact OD1-OG1 2.84Å
311Y65.3Low59.6Low106 Ų10696.4 Ų96.442%0.41648%0.475SS..THydrogen-bonded Turntrans-79.1-13.4173-63.2-67.5000114.9A309 L314 L315A309-Y311 VanDerWaalsContact C-N 3.29Å; A309-Y311 PolarHBondContact O-N 3.29Å; Y311-L314 WeakPolarHBondContact O-CB 3.3Å; Y311-L314 PolarHBondContact O-N 3.43Å; Y311-L314 VanDerWaalsContact O-N 3.16Å; Y311-L315 PolarHBondContact O-N 2.77Å; Y311-L315 VanDerWaalsContact O-N 3.13Å
312A68.2Low61.5Low52 Ų5295.7 Ų95.743%0.4348%0.48SS..Hα-helixtrans-62.2-39-174.100000114.6A309 L314 L315 F316A309-A312 VanDerWaalsContact O-CB 3.3Å; A309-A312 WeakPolarHBondContact O-CB 3.31Å; A309-A312 PolarHBondContact O-N 2.82Å; A309-A312 VanDerWaalsContact O-N 3.13Å; A312-L314 VanDerWaalsContact C-N 3.3Å; A312-L314 PolarHBondContact O-N 2.86Å; A312-L315 PolarHBondContact O-N 3.41Å; A312-F316 PolarHBondContact O-N 2.85Å; A312-F316 VanDerWaalsContact O-N 3.12Å
313P70.8Confident63.3Low69 Ų6989.4 Ų89.445%0.44846%0.461SS..Hα-helixtrans-62.4-36.9173.7-21.934.3000112.6D310 F316 I317D310-P313 WeakPolarHBondContact O-CD 3.28Å; P313-F316 PolarHBondContact O-N 3.3Å; P313-I317 WeakPolarHBondContact O-CD1 3.15Å; P313-I317 VanDerWaalsContact O-CG1 3.32Å; P313-I317 WeakPolarHBondContact O-CG1 3.19Å; P313-I317 PolarHBondContact O-N 3.46Å
314L65.9Low64.9Low40 Ų4090.9 Ų90.921%0.20946%0.455CS..Hα-helixtrans-66.9-45-179.7-165.872.7000111.1Y311 A312 F316 I317 Y318 E374Y311-L314 WeakPolarHBondContact O-CB 3.3Å; Y311-L314 PolarHBondContact O-N 3.43Å; Y311-L314 VanDerWaalsContact O-N 3.16Å; A312-L314 VanDerWaalsContact C-N 3.3Å; A312-L314 PolarHBondContact O-N 2.86Å; L314-F316 VanDerWaalsContact C-N 3.31Å; L314-F316 PolarHBondContact O-N 3.45Å; L314-I317 WeakPolarHBondContact O-CB 3.25Å; L314-I317 PolarHBondContact O-N 2.73Å; L314-Y318 HydrophobicContact CD1-CE2 4.18Å; L314-Y318 HydrophobicContact CD2-CE2 4.16Å; L314-Y318 HydrophobicContact CG-CD2 4.22Å; L314-Y318 HydrophobicContact CG-CE2 3.76Å; L314-Y318 VanDerWaalsContact O-CD2 3.23Å; L314-Y318 WeakPolarHBondContact O-CD2 3.34Å; L314-Y318 PolarHBondContact O-N 3.25Å; L314-Y318 VanDerWaalsContact O-N 3.1Å; L314-E374 HydrophobicContact CD1-CB 4.01Å; L314-E374 HydrophobicContact CD2-CB 3.81Å; L314-E374 HydrophobicContact CD2-CG 4.03Å
315L69.3Low66.3Low115 Ų11583.3 Ų83.360%0.60242%0.415SS*.Hα-helixtrans-59.3-41.7173.9-176.4148.6000111.7Y311 A312 I317 Y318 V319Y311-L315 PolarHBondContact O-N 2.77Å; Y311-L315 VanDerWaalsContact O-N 3.13Å; A312-L315 PolarHBondContact O-N 3.41Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.43Å; L315-Y318 PolarHBondContact O-N 3.33Å; L315-V319 HydrophobicContact CD2-CG2 4.24Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 3.23Å
316F74.5Confident67.7Low134 Ų13477.5 Ų77.559%0.58839%0.394SS*.Hα-helixtrans-62.8-37.7176.6-174.7-111.6000112.7A312 P313 L314 V319 I320A312-F316 PolarHBondContact O-N 2.85Å; A312-F316 VanDerWaalsContact O-N 3.12Å; P313-F316 PolarHBondContact O-N 3.3Å; L314-F316 VanDerWaalsContact C-N 3.31Å; L314-F316 PolarHBondContact O-N 3.45Å; F316-V319 PolarHBondContact O-N 3.21Å; F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.48Å; F316-I320 VanDerWaalsContact CE1-CD1 3.48Å; F316-I320 HydrophobicContact CE1-CG1 4.48Å; F316-I320 HydrophobicContact CZ-CD1 3.87Å; F316-I320 WeakPolarHBondContact O-CG1 3.41Å; F316-I320 PolarHBondContact O-N 3.24Å
317I75.4Confident68.9Low29 Ų2979.6 Ų79.615%0.14939%0.393CS..Hα-helixtrans-64.3-44.3174.8-68.5156.4000111.1P313 L314 L315 V319 I320 L321 Y378 T925P313-I317 WeakPolarHBondContact O-CD1 3.15Å; P313-I317 VanDerWaalsContact O-CG1 3.32Å; P313-I317 WeakPolarHBondContact O-CG1 3.19Å; P313-I317 PolarHBondContact O-N 3.46Å; L314-I317 WeakPolarHBondContact O-CB 3.25Å; L314-I317 PolarHBondContact O-N 2.73Å; L315-I317 VanDerWaalsContact C-N 3.33Å; L315-I317 PolarHBondContact O-N 3.43Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-V319 PolarHBondContact O-N 3.39Å; I317-I320 PolarHBondContact O-N 3.43Å; I317-L321 WeakPolarHBondContact O-CB 3.37Å; I317-L321 PolarHBondContact O-N 2.95Å; I317-Y378 HydrophobicContact CG2-CD2 4.14Å; I317-Y378 HydrophobicContact CG2-CE2 4.1Å; I317-T925 HydrophobicContact CD1-CG2 4.4Å; I317-T925 WeakPolarHBondContact CD1-OG1 3.25Å
318Y71.8Confident69.8Low68 Ų6875.6 Ų75.627%0.26738%0.383SS..Hα-helixtrans-64.7-35.4176.4-74.2-64.5000112.7L314 L315 L321 L322 E374 Y378L314-Y318 HydrophobicContact CD1-CE2 4.18Å; L314-Y318 HydrophobicContact CD2-CE2 4.16Å; L314-Y318 HydrophobicContact CG-CD2 4.22Å; L314-Y318 HydrophobicContact CG-CE2 3.76Å; L314-Y318 VanDerWaalsContact O-CD2 3.23Å; L314-Y318 WeakPolarHBondContact O-CD2 3.34Å; L314-Y318 PolarHBondContact O-N 3.25Å; L314-Y318 VanDerWaalsContact O-N 3.1Å; L315-Y318 PolarHBondContact O-N 3.33Å; Y318-L321 HydrophobicContact CD1-CD2 4.4Å; Y318-L321 PolarHBondContact O-N 2.93Å; Y318-L322 WeakPolarHBondContact O-CB 3.34Å; Y318-L322 PolarHBondContact O-N 3.37Å; Y318-E374 PolarHBondContact OH-O 2.87Å; Y318-Y378 PolarHBondContact OH-N 3.01Å; Y318-Y378 VanDerWaalsContact OH-N 3.12Å
319V74.5Confident70.4Confident68 Ų6867 Ų6741%0.41235%0.346SS..Hα-helixtrans-64.7-42172.5171.60000111.7L315 F316 I317 L321 L322 L323L315-V319 HydrophobicContact CD2-CG2 4.24Å; L315-V319 WeakPolarHBondContact O-CG2 3.41Å; L315-V319 PolarHBondContact O-N 3.23Å; F316-V319 PolarHBondContact O-N 3.21Å; I317-V319 VanDerWaalsContact C-N 3.34Å; I317-V319 PolarHBondContact O-N 3.39Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 3.18Å; V319-L322 PolarHBondContact O-N 3.14Å; V319-L323 HydrophobicContact CG1-CD1 4.21Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 3.06Å
320I76.7Confident70.9Confident80 Ų8070.5 Ų70.541%0.4135%0.348SS..Hα-helixtrans-62.9-41.2174.1-72171.2000111.1F316 I317 L323 Y324F316-I320 HydrophobicContact CD1-CD1 3.85Å; F316-I320 HydrophobicContact CE1-CD1 3.48Å; F316-I320 VanDerWaalsContact CE1-CD1 3.48Å; F316-I320 HydrophobicContact CE1-CG1 4.48Å; F316-I320 HydrophobicContact CZ-CD1 3.87Å; F316-I320 WeakPolarHBondContact O-CG1 3.41Å; F316-I320 PolarHBondContact O-N 3.24Å; I317-I320 PolarHBondContact O-N 3.43Å; I320-L323 PolarHBondContact O-N 2.67Å; I320-Y324 WeakPolarHBondContact O-CB 3.44Å; I320-Y324 PolarHBondContact O-N 2.93Å
321L71.9Confident71.4Confident20 Ų2075.8 Ų75.811%0.10537%0.367CS..Hα-helixtrans-63.7-43.3178.2-171.759.8000111.5I317 Y318 V319 L323 Y324 V325 Y378 V381I317-L321 WeakPolarHBondContact O-CB 3.37Å; I317-L321 PolarHBondContact O-N 2.95Å; Y318-L321 HydrophobicContact CD1-CD2 4.4Å; Y318-L321 PolarHBondContact O-N 2.93Å; V319-L321 VanDerWaalsContact C-N 3.34Å; V319-L321 PolarHBondContact O-N 3.18Å; L321-L323 PolarHBondContact O-N 3.39Å; L321-Y324 WeakPolarHBondContact O-CB 3.3Å; L321-Y324 PolarHBondContact O-N 3.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.29Å; L321-V325 PolarHBondContact O-N 3.05Å; L321-Y378 HydrophobicContact CD2-CD2 3.88Å; L321-Y378 HydrophobicContact CD2-CE2 4.05Å; L321-V381 HydrophobicContact CD2-CB 4.13Å; L321-V381 HydrophobicContact CD2-CG1 3.54Å; L321-V381 HydrophobicContact CG-CG1 4.2Å
322L72.4Confident71.3Confident103 Ų10372.4 Ų72.454%0.53936%0.356SS..Hα-helixtrans-62-40.6174.2-174.866.9000112.3Y318 V319 V325 Y326Y318-L322 WeakPolarHBondContact O-CB 3.34Å; Y318-L322 PolarHBondContact O-N 3.37Å; V319-L322 PolarHBondContact O-N 3.14Å; L322-V325 WeakPolarHBondContact O-CB 3.44Å; L322-V325 PolarHBondContact O-N 3.03Å; L322-Y326 WeakPolarHBondContact O-CB 3.45Å; L322-Y326 PolarHBondContact O-N 3.49Å
323L72.7Confident70.8Confident85 Ų8578.7 Ų78.745%0.44538%0.377SS..Hα-helixtrans-65.2-41173.7-73.2168.6000111.9V319 I320 L321 Y326 F327V319-L323 HydrophobicContact CG1-CD1 4.21Å; V319-L323 WeakPolarHBondContact O-CG 3.47Å; V319-L323 PolarHBondContact O-N 3.06Å; I320-L323 PolarHBondContact O-N 2.67Å; L321-L323 PolarHBondContact O-N 3.39Å; L323-Y326 WeakPolarHBondContact O-CB 3.44Å; L323-Y326 PolarHBondContact O-N 2.73Å; L323-F327 WeakPolarHBondContact O-CD2 3.09Å; L323-F327 PolarHBondContact O-N 3.44Å
324Y76.9Confident70.3Confident106 Ų10679.3 Ų79.342%0.41638%0.375SS..Hα-helixtrans-62.5-42.3174.9172.1-101.1000112.1I320 L321 F327 S328 F385I320-Y324 WeakPolarHBondContact O-CB 3.44Å; I320-Y324 PolarHBondContact O-N 2.93Å; L321-Y324 WeakPolarHBondContact O-CB 3.3Å; L321-Y324 PolarHBondContact O-N 3.31Å; Y324-F327 PolarHBondContact O-N 3.3Å; Y324-S328 VanDerWaalsContact O-CB 3.26Å; Y324-S328 WeakPolarHBondContact O-CB 3.27Å; Y324-S328 PolarHBondContact O-N 3.42Å; Y324-S328 PolarHBondContact O-OG 2.75Å; Y324-F385 HydrophobicContact CD1-CE1 4.18Å; Y324-F385 HydrophobicContact CE1-CD1 4.37Å; Y324-F385 AromaticContact CE1-CE1 3.94Å; Y324-F385 HydrophobicContact CE1-CE1 3.94Å
325V71.2Confident69.7Low5 Ų578.3 Ų78.33%0.0337%0.37CS..Hα-helixtrans-56-52.6171.9166.30000110.3L321 L322 F327 S328 V329 F385L321-V325 WeakPolarHBondContact O-CG2 3.29Å; L321-V325 PolarHBondContact O-N 3.05Å; L322-V325 WeakPolarHBondContact O-CB 3.44Å; L322-V325 PolarHBondContact O-N 3.03Å; V325-F327 PolarHBondContact O-N 2.9Å; V325-S328 PolarHBondContact O-N 2.88Å; V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 3.38Å; V325-F385 HydrophobicContact CB-CE1 4.16Å; V325-F385 HydrophobicContact CB-CE2 4.14Å; V325-F385 HydrophobicContact CB-CZ 3.87Å; V325-F385 HydrophobicContact CG1-CD2 4.25Å; V325-F385 HydrophobicContact CG1-CE2 3.66Å; V325-F385 HydrophobicContact CG1-CZ 3.83Å; V325-F385 HydrophobicContact CG2-CD1 3.73Å; V325-F385 HydrophobicContact CG2-CD2 4Å; V325-F385 HydrophobicContact CG2-CE1 3.61Å; V325-F385 HydrophobicContact CG2-CE2 3.92Å; V325-F385 HydrophobicContact CG2-CG 3.92Å; V325-F385 HydrophobicContact CG2-CZ 3.73Å
326Y70.9Confident69.1Low41 Ų4179 Ų7916%0.16137%0.368CS..Hα-helixtrans-58-48.1179.5176.8-100.8000113.2L322 L323 S328 R330 W339L322-Y326 WeakPolarHBondContact O-CB 3.45Å; L322-Y326 PolarHBondContact O-N 3.49Å; L323-Y326 WeakPolarHBondContact O-CB 3.44Å; L323-Y326 PolarHBondContact O-N 2.73Å; Y326-S328 VanDerWaalsContact C-N 3.34Å; Y326-S328 PolarHBondContact O-N 3.44Å; Y326-R330 HydrophobicContact CE1-CG 4.39Å; Y326-R330 WeakPolarHBondContact O-CB 3.38Å; Y326-R330 PolarHBondContact O-N 3.47Å; Y326-R330 VanDerWaalsContact OH-CZ 3.27Å; Y326-R330 PolarHBondContact OH-NE 3.45Å; Y326-R330 VanDerWaalsContact OH-NE 3.14Å; Y326-R330 PolarHBondContact OH-NH2 3.35Å; Y326-W339 AromaticContact CE2-CD2 3.89Å; Y326-W339 HydrophobicContact CE2-CD2 3.89Å; Y326-W339 AromaticContact CE2-CE2 3.65Å; Y326-W339 HydrophobicContact CE2-CE3 4.21Å; Y326-W339 HydrophobicContact CE2-CG 4.48Å; Y326-W339 HydrophobicContact CE2-CH2 4.11Å; Y326-W339 AromaticContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ3 4.31Å; Y326-W339 AromaticContact CZ-CZ2 4Å
327F73.9Confident68.5Low121 Ų12175.1 Ų75.153%0.53136%0.358SS..Hα-helixtrans-67-33.5178.1-77.7-63.7000112.8L323 Y324 V325L323-F327 WeakPolarHBondContact O-CD2 3.09Å; L323-F327 PolarHBondContact O-N 3.44Å; Y324-F327 PolarHBondContact O-N 3.3Å; V325-F327 PolarHBondContact O-N 2.9Å
328S74Confident68.3Low35 Ų3577 Ų7725%0.24537%0.365CS..Hα-helixtrans-67.6-46.9177.1-63.10000111.9Y324 V325 Y326 K331Y324-S328 VanDerWaalsContact O-CB 3.26Å; Y324-S328 WeakPolarHBondContact O-CB 3.27Å; Y324-S328 PolarHBondContact O-N 3.42Å; Y324-S328 PolarHBondContact O-OG 2.75Å; V325-S328 PolarHBondContact O-N 2.88Å; Y326-S328 VanDerWaalsContact C-N 3.34Å; Y326-S328 PolarHBondContact O-N 3.44Å; S328-K331 PolarHBondContact O-N 3.35Å
329V68.1Low68.2Low10 Ų1082.2 Ų82.26%0.06138%0.384CS..Hα-helixtrans-66.3-36.8176176.30000111.3V325 K331 L332 L341 A342 F385V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 3.38Å; V329-K331 PolarHBondContact O-N 3.16Å; V329-L332 PolarHBondContact O-N 3.37Å; V329-L341 HydrophobicContact CG1-CB 4.35Å; V329-L341 HydrophobicContact CG1-CD2 4.36Å; V329-A342 HydrophobicContact CB-CB 4.21Å; V329-A342 HydrophobicContact CG1-CB 4.21Å; V329-A342 HydrophobicContact CG2-CB 4.17Å; V329-F385 HydrophobicContact CG2-CE2 4.39Å
330R66.7Low68.3Low125 Ų12580.5 Ų80.547%0.47238%0.38SS..Hα-helixtrans-53-29.5177.8-109.1-177.2165.5-167.8-4.3114.4Y326 L332 K338Y326-R330 HydrophobicContact CE1-CG 4.39Å; Y326-R330 WeakPolarHBondContact O-CB 3.38Å; Y326-R330 PolarHBondContact O-N 3.47Å; Y326-R330 VanDerWaalsContact OH-CZ 3.27Å; Y326-R330 PolarHBondContact OH-NE 3.45Å; Y326-R330 VanDerWaalsContact OH-NE 3.14Å; Y326-R330 PolarHBondContact OH-NH2 3.35Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-K338 PolarHBondContact O-NZ 3.49Å
331K67.4Low68.4Low179 Ų17976.9 Ų76.978%0.77836%0.361SS*.THydrogen-bonded Turntrans-79.3-10.5-177.8-165.9174.7178.2-1780113.9S328 V329S328-K331 PolarHBondContact O-N 3.35Å; V329-K331 PolarHBondContact O-N 3.16Å
332L64.1Low68.5Low36 Ų3676.3 Ų76.319%0.18836%0.36CS..  trans-78.8126171.7-58176.3000109V329 R330 K338 T392V329-L332 PolarHBondContact O-N 3.37Å; R330-L332 VanDerWaalsContact C-N 3.34Å; L332-K338 WeakPolarHBondContact O-CE 3.49Å; L332-K338 PolarHBondContact O-NZ 3.32Å; L332-T392 HydrophobicContact CD1-CG2 3.72Å
333E57.9Low69Low184 Ų18476.8 Ų76.886%0.8636%0.362SS*.SBendtrans-93.2-6.9-170.8-65.1-175153.100113.9
334M59.4Low69.6Low82 Ų8273.2 Ų73.240%0.40435%0.345SS..SBendtrans-107.853.8-179.7-57.6-166.1-148.100113.4V396 M474M334-V396 HydrophobicContact CB-CG1 4.14Å; M334-V396 HydrophobicContact CE-CG1 3.92Å; M334-V396 WeakPolarHBondContact CE-O 3.45Å; M334-V396 HydrophobicContact CG-CG1 4.12Å; M334-V396 HydrophobicContact SD-CG1 3.83Å; M334-M474 HydrophobicContact CB-CE 4.18Å; M334-M474 WeakPolarHBondContact O-CE 3.21Å; M334-M474 VanDerWaalsContact O-SD 3.35Å
335V54.9Low69.9Low18 Ų1868.4 Ų68.411%0.10933%0.326CS..  trans-148.3122.1175.3-1670000111.3K338 L341 D470V335-K338 HydrophobicContact CB-CG 4.41Å; V335-L341 HydrophobicContact CG1-CB 4.39Å; V335-L341 HydrophobicContact CG1-CD2 4.44Å; V335-L341 HydrophobicContact CG2-CD2 3.81Å; V335-D470 VanDerWaalsContact CG1-OD2 3.23Å; V335-D470 WeakPolarHBondContact CG1-OD2 3.46Å
336K54.9Low70.4Confident129 Ų12970 Ų7056%0.56134%0.338SS*.SBendtrans-69.3-38.9177.6-157.2-176.6-163.3-1690112.7M474 S477K336-M474 HydrophobicContact CB-CG 4.38Å; K336-S477 VanDerWaalsContact CD-OG 3.29Å; K336-S477 WeakPolarHBondContact CD-OG 3.27Å; K336-S477 PolarHBondContact NZ-OG 3.34Å
337S62.2Low71.1Confident53 Ų5371.1 Ų71.137%0.37135%0.348SS..  trans-113.180.8175-170.20000112.1W339 G340 L341S337-W339 PolarHBondContact O-N 2.99Å; S337-G340 PolarHBondContact O-N 2.92Å; S337-G340 PolarHBondContact OG-N 2.88Å; S337-L341 PolarHBondContact O-N 2.79Å
338K71.2Confident71.9Confident68 Ų6865.3 Ų65.330%0.29632%0.323SS..Hα-helixtrans-58-22.1177.4-53.8-162.4-176.5-1530113.8R330 L332 V335R330-K338 PolarHBondContact O-NZ 3.49Å; L332-K338 WeakPolarHBondContact O-CE 3.49Å; L332-K338 PolarHBondContact O-NZ 3.32Å; V335-K338 HydrophobicContact CB-CG 4.41Å
339W70.6Confident72.4Confident179 Ų17964 Ų6468%0.67831%0.314SS*.Hα-helixtrans-74.7-40.3171.7-76.289.1000112.7Y326 S337 A342 L343Y326-W339 AromaticContact CE2-CD2 3.89Å; Y326-W339 HydrophobicContact CE2-CD2 3.89Å; Y326-W339 AromaticContact CE2-CE2 3.65Å; Y326-W339 HydrophobicContact CE2-CE3 4.21Å; Y326-W339 HydrophobicContact CE2-CG 4.48Å; Y326-W339 HydrophobicContact CE2-CH2 4.11Å; Y326-W339 AromaticContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ2 3.77Å; Y326-W339 HydrophobicContact CE2-CZ3 4.31Å; Y326-W339 AromaticContact CZ-CZ2 4Å; S337-W339 PolarHBondContact O-N 2.99Å; W339-A342 PolarHBondContact O-N 3.06Å; W339-L343 WeakPolarHBondContact O-CB 3.27Å; W339-L343 PolarHBondContact O-N 3.04Å
340G75.6Confident73.2Confident31 Ų3165.6 Ų65.632%0.3233%0.327SS..Hα-helixtrans-63-44.5-177.600000112.7S337 L343 S344S337-G340 PolarHBondContact O-N 2.92Å; S337-G340 PolarHBondContact OG-N 2.88Å; G340-L343 PolarHBondContact O-N 3.38Å; G340-S344 PolarHBondContact O-N 3.31Å; G340-S344 PolarHBondContact O-OG 3.49Å
341L78.4Confident74.2Confident4 Ų460.2 Ų60.22%0.02131%0.31CS..Hα-helixtrans-69.5-33.9178.4-17164.6000113.2V329 V335 S337 S344 A345 T392 F463 L467V329-L341 HydrophobicContact CG1-CB 4.35Å; V329-L341 HydrophobicContact CG1-CD2 4.36Å; V335-L341 HydrophobicContact CG1-CB 4.39Å; V335-L341 HydrophobicContact CG1-CD2 4.44Å; V335-L341 HydrophobicContact CG2-CD2 3.81Å; S337-L341 PolarHBondContact O-N 2.79Å; L341-S344 PolarHBondContact O-OG 2.85Å; L341-S344 VanDerWaalsContact O-OG 3.13Å; L341-A345 WeakPolarHBondContact O-CB 3.42Å; L341-A345 PolarHBondContact O-N 2.77Å; L341-T392 HydrophobicContact CD2-CG2 3.99Å; L341-F463 HydrophobicContact CD1-CE2 3.85Å; L341-F463 HydrophobicContact CD1-CZ 3.69Å; L341-L467 HydrophobicContact CD1-CD1 4.05Å
342A76.1Confident75.3Confident9 Ų951.7 Ų51.77%0.07427%0.273CS..Hα-helixtrans-69.3-41.3172.900000111.4V329 W339 A345 C346V329-A342 HydrophobicContact CB-CB 4.21Å; V329-A342 HydrophobicContact CG1-CB 4.21Å; V329-A342 HydrophobicContact CG2-CB 4.17Å; W339-A342 PolarHBondContact O-N 3.06Å; A342-A345 PolarHBondContact O-N 3.41Å; A342-C346 PolarHBondContact O-N 2.94Å; A342-C346 VanDerWaalsContact O-N 3.09Å; A342-C346 PolarHBondContact O-SG 2.71Å; A342-C346 VanDerWaalsContact O-SG 3.4Å
343L81.4Confident76.3Confident113 Ų11351.2 Ų51.259%0.59227%0.27SS*.Hα-helixtrans-64.9-44.1177.1-176.564.4000111.7W339 G340 A345 C346 V347W339-L343 WeakPolarHBondContact O-CB 3.27Å; W339-L343 PolarHBondContact O-N 3.04Å; G340-L343 PolarHBondContact O-N 3.38Å; L343-A345 VanDerWaalsContact C-N 3.34Å; L343-A345 PolarHBondContact O-N 3.44Å; L343-C346 PolarHBondContact O-N 2.89Å; L343-V347 HydrophobicContact CD1-CG2 4.31Å; L343-V347 HydrophobicContact CG-CG2 4.38Å; L343-V347 WeakPolarHBondContact O-CB 3.1Å; L343-V347 VanDerWaalsContact O-CG2 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.46Å; L343-V347 PolarHBondContact O-N 3.37Å
344S85.2Confident77.6Confident10 Ų1047.9 Ų47.97%0.0725%0.253CS..Hα-helixtrans-64.8-37.6178.266.20000112.3G340 L341 V347 T348G340-S344 PolarHBondContact O-N 3.31Å; G340-S344 PolarHBondContact O-OG 3.49Å; L341-S344 PolarHBondContact O-OG 2.85Å; L341-S344 VanDerWaalsContact O-OG 3.13Å; S344-V347 PolarHBondContact O-N 3.12Å; S344-T348 WeakPolarHBondContact O-CB 3.41Å; S344-T348 PolarHBondContact O-N 3.37Å; S344-T348 PolarHBondContact O-OG1 3.08Å
345A82.9Confident79Confident4 Ų444.5 Ų44.53%0.03324%0.237CC..Hα-helixtrans-58.9-49.9171.400000111.8L341 A342 L343 V347 T348 V349 V388 F463L341-A345 WeakPolarHBondContact O-CB 3.42Å; L341-A345 PolarHBondContact O-N 2.77Å; A342-A345 PolarHBondContact O-N 3.41Å; L343-A345 VanDerWaalsContact C-N 3.34Å; L343-A345 PolarHBondContact O-N 3.44Å; A345-V347 PolarHBondContact O-N 3.21Å; A345-T348 PolarHBondContact O-N 3.47Å; A345-V349 PolarHBondContact O-N 3.37Å; A345-V388 HydrophobicContact CB-CG1 3.74Å; A345-F463 HydrophobicContact CB-CE2 4.29Å
346C82.5Confident80.5Confident40 Ų4043.7 Ų43.727%0.2723%0.231SC..Hα-helixtrans-62.6-40.8177-68.90000112.9A342 L343 V349 A350A342-C346 PolarHBondContact O-N 2.94Å; A342-C346 VanDerWaalsContact O-N 3.09Å; A342-C346 PolarHBondContact O-SG 2.71Å; A342-C346 VanDerWaalsContact O-SG 3.4Å; L343-C346 PolarHBondContact O-N 2.89Å; C346-V349 PolarHBondContact O-N 3.23Å; C346-A350 WeakPolarHBondContact O-CB 3.09Å; C346-A350 PolarHBondContact O-N 3.28Å
347V86.3Confident81.8Confident63 Ų6340.2 Ų40.238%0.38222%0.219SC..Hα-helixtrans-66.3-38.6177.4170.10000111.5L343 S344 A345 V349 A350 A351 F462L343-V347 HydrophobicContact CD1-CG2 4.31Å; L343-V347 HydrophobicContact CG-CG2 4.38Å; L343-V347 WeakPolarHBondContact O-CB 3.1Å; L343-V347 VanDerWaalsContact O-CG2 3.31Å; L343-V347 WeakPolarHBondContact O-CG2 3.46Å; L343-V347 PolarHBondContact O-N 3.37Å; S344-V347 PolarHBondContact O-N 3.12Å; A345-V347 PolarHBondContact O-N 3.21Å; V347-V349 VanDerWaalsContact C-N 3.32Å; V347-V349 PolarHBondContact O-N 3.33Å; V347-A350 PolarHBondContact O-N 3.49Å; V347-A351 WeakPolarHBondContact O-CB 3.38Å; V347-A351 PolarHBondContact O-N 2.81Å; V347-F462 HydrophobicContact CB-CE1 4.47Å; V347-F462 HydrophobicContact CG1-CE1 3.85Å; V347-F462 HydrophobicContact CG1-CZ 3.98Å
348T89.4Confident82.9Confident0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-57.8-46.8176.4-54.20000111S344 A345 S352 L458 Q459 F462 F463S344-T348 WeakPolarHBondContact O-CB 3.41Å; S344-T348 PolarHBondContact O-N 3.37Å; S344-T348 PolarHBondContact O-OG1 3.08Å; A345-T348 PolarHBondContact O-N 3.47Å; T348-S352 PolarHBondContact O-N 3.14Å; T348-S352 PolarHBondContact O-OG 3.21Å; T348-L458 HydrophobicContact CG2-CB 3.84Å; T348-Q459 HydrophobicContact CG2-CG 4.15Å; T348-F462 WeakPolarHBondContact OG1-CD1 3.35Å; T348-F463 HydrophobicContact CG2-CB 4.29Å
349V85.7Confident83.6Confident8 Ų836.4 Ų36.45%0.04820%0.197CC..Hα-helixtrans-73.6-37-179169.30000112.9A345 C346 V347 S352 L353 V381A345-V349 PolarHBondContact O-N 3.37Å; C346-V349 PolarHBondContact O-N 3.23Å; V347-V349 VanDerWaalsContact C-N 3.32Å; V347-V349 PolarHBondContact O-N 3.33Å; V349-S352 PolarHBondContact O-OG 2.93Å; V349-L353 PolarHBondContact O-N 3.35Å; V349-V381 HydrophobicContact CG1-CB 3.91Å; V349-V381 HydrophobicContact CG1-CG1 4.19Å; V349-V381 HydrophobicContact CG1-CG2 3.47Å; V349-V381 VanDerWaalsContact CG1-CG2 3.47Å
350A84.2Confident84.1Confident42 Ų4228.7 Ų28.735%0.34717%0.17SC..Hα-helixtrans-67.2-40.9173.900000111.1C346 V347 L353 F354C346-A350 WeakPolarHBondContact O-CB 3.09Å; C346-A350 PolarHBondContact O-N 3.28Å; V347-A350 PolarHBondContact O-N 3.49Å; A350-L353 PolarHBondContact O-N 2.66Å; A350-F354 HydrophobicContact CB-CE2 4.48Å; A350-F354 WeakPolarHBondContact O-CD2 3.07Å; A350-F354 PolarHBondContact O-N 2.84Å; A350-F354 VanDerWaalsContact O-N 3.09Å
351A88.3Confident84.2Confident13 Ų1329.8 Ų29.811%0.10717%0.171CC..Hα-helixtrans-66.7-37.1177.800000112.5M47 V347 L353 F354 M355 L458M47-A351 HydrophobicContact CE-CB 3.77Å; M47-A351 HydrophobicContact SD-CB 4.07Å; V347-A351 WeakPolarHBondContact O-CB 3.38Å; V347-A351 PolarHBondContact O-N 2.81Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 PolarHBondContact O-N 3.12Å; A351-F354 PolarHBondContact O-N 3.16Å; A351-M355 WeakPolarHBondContact O-CB 3.37Å; A351-M355 PolarHBondContact O-N 3.44Å; A351-L458 HydrophobicContact CB-CD1 3.7Å
352S89.8Confident84.3Confident0 Ų033.7 Ų33.70%020%0.195CC..Hα-helixtrans-64.7-38.1176.256.60000112.3T348 V349 S356 T454T348-S352 PolarHBondContact O-N 3.14Å; T348-S352 PolarHBondContact O-OG 3.21Å; V349-S352 PolarHBondContact O-OG 2.93Å; S352-S356 WeakPolarHBondContact O-CB 3.29Å; S352-S356 PolarHBondContact O-N 2.95Å; S352-S356 PolarHBondContact O-OG 2.93Å; S352-T454 PolarHBondContact O-OG1 3.19Å
353L84.9Confident84.4Confident26 Ų2638.5 Ų38.514%0.13622%0.218CC..Hα-helixtrans-63.3-50.7173.5-76.2168.2000112.5V349 A350 A351 S356 I357 F376 P377 V380 V381V349-L353 PolarHBondContact O-N 3.35Å; A350-L353 PolarHBondContact O-N 2.66Å; A351-L353 VanDerWaalsContact C-N 3.34Å; A351-L353 PolarHBondContact O-N 3.12Å; L353-S356 PolarHBondContact O-N 3.37Å; L353-S356 PolarHBondContact O-OG 3.09Å; L353-I357 WeakPolarHBondContact O-CG1 3.3Å; L353-I357 PolarHBondContact O-N 2.98Å; L353-F376 HydrophobicContact CD2-CD1 4.31Å; L353-F376 HydrophobicContact CD2-CE1 3.88Å; L353-P377 HydrophobicContact CD1-CB 4.05Å; L353-P377 HydrophobicContact CD2-CB 4.45Å; L353-V380 HydrophobicContact CD2-CB 3.94Å; L353-V380 HydrophobicContact CD2-CG1 3.92Å; L353-V380 HydrophobicContact CD2-CG2 4.03Å; L353-V380 HydrophobicContact CG-CB 4.46Å; L353-V380 HydrophobicContact CG-CG1 4.05Å; L353-V381 HydrophobicContact CD1-CG2 4.37Å
354F86.4Confident83.7Confident113 Ų11336.1 Ų36.150%0.49622%0.221SC..Hα-helixtrans-63.6-44.9177.4-68.7-58.5000111.7L54 A350 A351 S356 I357 G358L54-F354 WeakPolarHBondContact CD1-O 3.48Å; L54-F354 HydrophobicContact CD2-CD1 3.91Å; A350-F354 HydrophobicContact CB-CE2 4.48Å; A350-F354 WeakPolarHBondContact O-CD2 3.07Å; A350-F354 PolarHBondContact O-N 2.84Å; A350-F354 VanDerWaalsContact O-N 3.09Å; A351-F354 PolarHBondContact O-N 3.16Å; F354-S356 VanDerWaalsContact C-N 3.27Å; F354-S356 PolarHBondContact O-N 3.13Å; F354-I357 PolarHBondContact O-N 3.46Å; F354-G358 PolarHBondContact O-N 3.05Å
355M88.3Confident82.5Confident12 Ų1238.7 Ų38.76%0.05923%0.233CC..Hα-helixtrans-58.2-36.9175.3-173.7-176.2172.100111.9L50 A351 L359 T454 F457 L458L50-M355 HydrophobicContact CB-CG 3.98Å; L50-M355 HydrophobicContact CD1-CE 3.41Å; L50-M355 VanDerWaalsContact CD1-CE 3.41Å; L50-M355 HydrophobicContact CD1-CG 3.77Å; L50-M355 HydrophobicContact CD1-SD 4.25Å; A351-M355 WeakPolarHBondContact O-CB 3.37Å; A351-M355 PolarHBondContact O-N 3.44Å; M355-L359 HydrophobicContact CG-CD1 4.32Å; M355-L359 WeakPolarHBondContact O-CB 3.28Å; M355-L359 WeakPolarHBondContact O-CD1 3.5Å; M355-L359 VanDerWaalsContact O-CG 3.29Å; M355-L359 WeakPolarHBondContact O-CG 3.44Å; M355-L359 PolarHBondContact O-N 3.47Å; M355-T454 HydrophobicContact CB-CG2 4.14Å; M355-T454 HydrophobicContact CE-CG2 3.89Å; M355-T454 HydrophobicContact CG-CG2 3.63Å; M355-T454 HydrophobicContact SD-CG2 3.7Å; M355-F457 HydrophobicContact CE-CD1 3.96Å; M355-F457 HydrophobicContact CE-CE1 4.33Å; M355-L458 HydrophobicContact SD-CD1 4.13Å; M355-L458 HydrophobicContact SD-CD2 4.37Å; M355-L458 HydrophobicContact SD-CG 4.2Å
356S86.4Confident81.1Confident0 Ų043.9 Ų43.90%026%0.264CS..Hα-helixtrans-73-37.6175.863.90000114S352 L353 F354 C360S352-S356 WeakPolarHBondContact O-CB 3.29Å; S352-S356 PolarHBondContact O-N 2.95Å; S352-S356 PolarHBondContact O-OG 2.93Å; L353-S356 PolarHBondContact O-N 3.37Å; L353-S356 PolarHBondContact O-OG 3.09Å; F354-S356 VanDerWaalsContact C-N 3.27Å; F354-S356 PolarHBondContact O-N 3.13Å; S356-C360 PolarHBondContact O-N 3.43Å; S356-C360 PolarHBondContact O-SG 3.41Å
357I82.9Confident79.8Confident57 Ų5746.2 Ų46.229%0.29227%0.273SS..Hα-helixtrans-65.3-47.5175.7-66.7164.2000109.4L54 I57 L353 F354 L359 C360 V361 F447L54-I357 HydrophobicContact CD2-CB 4.2Å; L54-I357 HydrophobicContact CD2-CG2 3.77Å; L54-I357 HydrophobicContact CG-CG2 4.07Å; I57-I357 HydrophobicContact CD1-CG2 4.18Å; L353-I357 WeakPolarHBondContact O-CG1 3.3Å; L353-I357 PolarHBondContact O-N 2.98Å; F354-I357 PolarHBondContact O-N 3.46Å; I357-L359 PolarHBondContact O-N 3.47Å; I357-C360 PolarHBondContact O-N 2.86Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å; I357-V361 PolarHBondContact O-N 3.41Å; I357-F447 HydrophobicContact CG1-CE2 3.88Å; I357-F447 HydrophobicContact CG1-CZ 3.71Å
358G85.1Confident78.1Confident0 Ų045.7 Ų45.70%027%0.27CS..Hα-helixtrans-61.8-43178.900000112.9L50 F354 V361 T362L50-G358 WeakPolarHBondContact O-CA 3.19Å; F354-G358 PolarHBondContact O-N 3.05Å; G358-V361 PolarHBondContact O-N 3.48Å; G358-T362 WeakPolarHBondContact O-CG2 3.33Å; G358-T362 PolarHBondContact O-N 2.86Å; G358-T362 PolarHBondContact O-OG1 3.45Å
359L86.3Confident76.2Confident41 Ų4148.5 Ų48.522%0.21529%0.288CS..Hα-helixtrans-58.9-47.4172.8-82.5167.9000112.2L50 M355 I357 V361 T362 I363 V450 T454L50-L359 HydrophobicContact CD2-CD2 3.79Å; L50-L359 HydrophobicContact CD2-CG 4.24Å; M355-L359 HydrophobicContact CG-CD1 4.32Å; M355-L359 WeakPolarHBondContact O-CB 3.28Å; M355-L359 WeakPolarHBondContact O-CD1 3.5Å; M355-L359 VanDerWaalsContact O-CG 3.29Å; M355-L359 WeakPolarHBondContact O-CG 3.44Å; M355-L359 PolarHBondContact O-N 3.47Å; I357-L359 PolarHBondContact O-N 3.47Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.48Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 2.96Å; L359-T362 VanDerWaalsContact O-N 3.15Å; L359-T362 PolarHBondContact O-OG1 3.02Å; L359-I363 WeakPolarHBondContact O-CD1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.5Å; L359-I363 PolarHBondContact O-N 3.3Å; L359-I363 VanDerWaalsContact O-N 3.16Å; L359-V450 HydrophobicContact CB-CG1 3.81Å; L359-V450 HydrophobicContact CD1-CG1 3.84Å; L359-V450 HydrophobicContact CG-CG1 4.5Å; L359-T454 HydrophobicContact CD1-CG2 3.71Å
360C80.2Confident74.5Confident16 Ų1650.7 Ų50.711%0.10830%0.299CS..Hα-helixtrans-61.4-40.1178.6-75.70000112.6S356 I357 I363 L365S356-C360 PolarHBondContact O-N 3.43Å; S356-C360 PolarHBondContact O-SG 3.41Å; I357-C360 PolarHBondContact O-N 2.86Å; C360-I363 PolarHBondContact O-N 3.26Å; C360-L365 HydrophobicContact CB-CD1 4.25Å; C360-L365 PolarHBondContact O-N 3.01Å
361V78.1Confident72.6Confident55 Ų5555.6 Ų55.633%0.33332%0.319SS..Hα-helixtrans-60.9-44.2172.9172.50000111.4P53 I57 I357 G358 L359 I363 G364P53-V361 HydrophobicContact CB-CB 4.24Å; P53-V361 HydrophobicContact CB-CG1 3.98Å; I57-V361 HydrophobicContact CD1-CG2 4.16Å; I57-V361 HydrophobicContact CG1-CG2 4.19Å; I357-V361 WeakPolarHBondContact O-CG2 3.26Å; I357-V361 PolarHBondContact O-N 3.41Å; G358-V361 PolarHBondContact O-N 3.48Å; L359-V361 VanDerWaalsContact C-N 3.32Å; L359-V361 PolarHBondContact O-N 3.48Å; V361-I363 VanDerWaalsContact C-N 3.29Å; V361-I363 PolarHBondContact O-N 3.43Å; V361-G364 PolarHBondContact O-N 2.92Å; V361-G364 VanDerWaalsContact O-N 3.11Å
362T80Confident70.8Confident85 Ų8557.4 Ų57.452%0.52134%0.339SS..Hα-helixtrans-66.1-25.9179.753.50000115P53 G358 L359 G364P53-T362 HydrophobicContact CB-CG2 3.95Å; P53-T362 HydrophobicContact CG-CG2 3.28Å; G358-T362 WeakPolarHBondContact O-CG2 3.33Å; G358-T362 PolarHBondContact O-N 2.86Å; G358-T362 PolarHBondContact O-OG1 3.45Å; L359-T362 WeakPolarHBondContact CA-OG1 3.47Å; L359-T362 PolarHBondContact O-N 2.96Å; L359-T362 VanDerWaalsContact O-N 3.15Å; L359-T362 PolarHBondContact O-OG1 3.02Å; T362-G364 PolarHBondContact O-N 3.48Å
363I79.1Confident69.1Low110 Ų11059.8 Ų59.856%0.56436%0.356SS*.THydrogen-bonded Turntrans-82.9-4.6179.2-60.4161.7000110.6L359 C360 V361 L365L359-I363 WeakPolarHBondContact O-CD1 3.31Å; L359-I363 WeakPolarHBondContact O-CG1 3.5Å; L359-I363 PolarHBondContact O-N 3.3Å; L359-I363 VanDerWaalsContact O-N 3.16Å; C360-I363 PolarHBondContact O-N 3.26Å; V361-I363 VanDerWaalsContact C-N 3.29Å; V361-I363 PolarHBondContact O-N 3.43Å; I363-L365 HydrophobicContact CB-CD1 3.85Å; I363-L365 HydrophobicContact CB-CG 4.08Å; I363-L365 HydrophobicContact CD1-CD1 4.27Å; I363-L365 HydrophobicContact CG2-CD1 3.81Å; I363-L365 HydrophobicContact CG2-CG 3.85Å; I363-L365 PolarHBondContact O-N 3.4Å
364G65.9Low68Low64 Ų6462.6 Ų62.666%0.6637%0.368SS*.THydrogen-bonded Turntrans72.617.8-176.600000113.2V361 T362 V366V361-G364 PolarHBondContact O-N 2.92Å; V361-G364 VanDerWaalsContact O-N 3.11Å; T362-G364 PolarHBondContact O-N 3.48Å; G364-V366 PolarHBondContact O-N 3.49Å
365L60.6Low67Low63 Ų6360.5 Ų60.533%0.3336%0.364SS..  trans-69129.2175.8-65.9156.8000108.5C360 I363 M367 L446C360-L365 HydrophobicContact CB-CD1 4.25Å; C360-L365 PolarHBondContact O-N 3.01Å; I363-L365 HydrophobicContact CB-CD1 3.85Å; I363-L365 HydrophobicContact CB-CG 4.08Å; I363-L365 HydrophobicContact CD1-CD1 4.27Å; I363-L365 HydrophobicContact CG2-CD1 3.81Å; I363-L365 HydrophobicContact CG2-CG 3.85Å; I363-L365 PolarHBondContact O-N 3.4Å; L365-M367 PolarHBondContact O-N 3.42Å; L365-L446 HydrophobicContact CD1-CD2 3.41Å; L365-L446 VanDerWaalsContact CD1-CD2 3.41Å; L365-L446 HydrophobicContact CD2-CD1 4.38Å; L365-L446 HydrophobicContact CD2-CD2 3.93Å; L365-L446 HydrophobicContact CG-CD2 4.28Å
366V53.5Low65.9Low113 Ų11360.2 Ų60.269%0.68536%0.363SS*.  trans-51.1131.6-176.1-178.80000109.9G364G364-V366 PolarHBondContact O-N 3.49Å
367M53.7Low65.1Low89 Ų8962.3 Ų62.344%0.43838%0.376SS..  trans-49115.2174.4-171111.769.900108.2I57 V60 L365 T369I57-M367 HydrophobicContact CG2-CE 4.01Å; I57-M367 HydrophobicContact CG2-SD 4.15Å; V60-M367 HydrophobicContact CG2-CE 3.81Å; L365-M367 PolarHBondContact O-N 3.42Å; M367-T369 PolarHBondContact O-N 2.93Å
368P50.5Low64.5Low52 Ų5262.3 Ų62.334%0.33837%0.373SS..  trans-63.1137.2-156.822.7-34.7000110.5L370P368-L370 HydrophobicContact CB-CB 4.08Å; P368-L370 HydrophobicContact CB-CD1 4.06Å; P368-L370 HydrophobicContact CB-CG 4.43Å; P368-L370 HydrophobicContact CG-CB 4.3Å; P368-L370 HydrophobicContact CG-CD2 4.16Å; P368-L370 WeakPolarHBondContact O-CB 3.47Å; P368-L370 PolarHBondContact O-N 2.88Å
369T49.6Very low63.9Low59 Ų5966 Ų6636%0.36239%0.392SS..  trans-80.560.7-176.456.90000109.8M367 N371 E443M367-T369 PolarHBondContact O-N 2.93Å; T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.19Å; T369-E443 PolarHBondContact N-OE2 2.9Å; T369-E443 PolarHBondContact OG1-OE1 3.29Å; T369-E443 PolarHBondContact OG1-OE2 3.16Å; T369-E443 VanDerWaalsContact OG1-OE2 3.09Å
370L50.8Low63.3Low54 Ų5464.6 Ų64.628%0.28339%0.386SS..  trans-8662.2-143.1-16164.2000112.5P368 G372 S373P368-L370 HydrophobicContact CB-CB 4.08Å; P368-L370 HydrophobicContact CB-CD1 4.06Å; P368-L370 HydrophobicContact CB-CG 4.43Å; P368-L370 HydrophobicContact CG-CB 4.3Å; P368-L370 HydrophobicContact CG-CD2 4.16Å; P368-L370 WeakPolarHBondContact O-CB 3.47Å; P368-L370 PolarHBondContact O-N 2.88Å; L370-G372 PolarHBondContact O-N 2.87Å; L370-S373 VanDerWaalsContact CD2-CB 3.46Å; L370-S373 WeakPolarHBondContact O-CB 3.36Å; L370-S373 PolarHBondContact O-N 2.87Å; L370-S373 PolarHBondContact O-OG 3.3Å
371N44.9Very low63.1Low146 Ų14665.3 Ų65.378%0.78139%0.39SS*.THydrogen-bonded Turntrans-58.996.7166.1-79-25.3000109.5T369T369-N371 VanDerWaalsContact C-N 3.26Å; T369-N371 PolarHBondContact O-N 3.19Å
372G49.6Very low63Low51 Ų5166.2 Ų66.253%0.52639%0.392SS..THydrogen-bonded Turntrans114.95-17100000115.3L370 E374 V375L370-G372 PolarHBondContact O-N 2.87Å; G372-E374 VanDerWaalsContact C-N 3.25Å; G372-E374 PolarHBondContact O-N 3.43Å; G372-E374 VanDerWaalsContact O-N 3.15Å; G372-V375 PolarHBondContact O-N 3.14Å
373S55Low63.1Low49 Ų4965.2 Ų65.234%0.34338%0.383SS..G310 helixtrans-41.4-46.417853.70000115L370 V375 F376 P377L370-S373 VanDerWaalsContact CD2-CB 3.46Å; L370-S373 WeakPolarHBondContact O-CB 3.36Å; L370-S373 PolarHBondContact O-N 2.87Å; L370-S373 PolarHBondContact O-OG 3.3Å; S373-V375 PolarHBondContact O-N 3.22Å; S373-F376 PolarHBondContact O-N 3.21Å; S373-P377 WeakPolarHBondContact O-CD 3.21Å
374E61.5Low63.2Low85 Ų8560 Ų6040%0.39736%0.356SS..G310 helixtrans-54-29.2-174-57-177.8169.600113.7L314 Y318 G372L314-E374 HydrophobicContact CD1-CB 4.01Å; L314-E374 HydrophobicContact CD2-CB 3.81Å; L314-E374 HydrophobicContact CD2-CG 4.03Å; Y318-E374 PolarHBondContact OH-O 2.87Å; G372-E374 VanDerWaalsContact C-N 3.25Å; G372-E374 PolarHBondContact O-N 3.43Å; G372-E374 VanDerWaalsContact O-N 3.15Å
375V64.5Low63.9Low69 Ų6957.7 Ų57.742%0.41833%0.328SS..G310 helixtrans-87.6-24.6-176-171.90000112.5G372 S373 Y378 L379G372-V375 PolarHBondContact O-N 3.14Å; S373-V375 PolarHBondContact O-N 3.22Å; V375-Y378 PolarHBondContact O-N 3.43Å; V375-L379 PolarHBondContact O-N 3.38Å
376F66.7Low65Low7 Ų759.1 Ų59.13%0.03133%0.333CS..Hα-helixtrans-66-49.6-173.6177.7-85.5000113.6L353 S373 Y378 L379 V380 F444 F447 A448L353-F376 HydrophobicContact CD2-CD1 4.31Å; L353-F376 HydrophobicContact CD2-CE1 3.88Å; S373-F376 PolarHBondContact O-N 3.21Å; F376-Y378 VanDerWaalsContact C-N 3.27Å; F376-Y378 PolarHBondContact O-N 2.77Å; F376-L379 WeakPolarHBondContact O-CB 3.1Å; F376-L379 PolarHBondContact O-N 3.17Å; F376-L379 VanDerWaalsContact O-N 3.08Å; F376-V380 HydrophobicContact CD1-CG2 4.09Å; F376-V380 HydrophobicContact CE1-CG2 3.52Å; F376-V380 HydrophobicContact CE2-CG2 4.24Å; F376-V380 HydrophobicContact CZ-CG2 3.61Å; F376-V380 PolarHBondContact O-N 3.47Å; F376-V380 VanDerWaalsContact O-N 3.12Å; F376-F444 HydrophobicContact CD2-CD2 4.27Å; F376-F444 AromaticContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CZ 4.22Å; F376-F447 HydrophobicContact CD1-CD1 4.02Å; F376-F447 AromaticContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CE1 3.44Å; F376-F447 VanDerWaalsContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CZ 4.29Å; F376-F447 HydrophobicContact CD2-CD1 4.19Å; F376-F447 HydrophobicContact CD2-CE1 4.43Å; F376-F447 AromaticContact CE1-CD1 3.63Å; F376-F447 HydrophobicContact CE1-CD1 3.63Å; F376-F447 AromaticContact CE1-CE1 3.16Å; F376-F447 HydrophobicContact CE1-CE1 3.16Å; F376-F447 AromaticContact CE1-CZ 3.77Å; F376-F447 HydrophobicContact CE1-CZ 3.77Å; F376-F447 AromaticContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CE1 4.21Å; F376-F447 HydrophobicContact CG-CD1 4.28Å; F376-F447 HydrophobicContact CG-CE1 4.08Å; F376-F447 AromaticContact CZ-CD1 3.52Å; F376-F447 HydrophobicContact CZ-CD1 3.52Å; F376-F447 AromaticContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CG 4.2Å; F376-F447 HydrophobicContact CZ-CZ 4.3Å; F376-A448 HydrophobicContact CE2-CB 3.97Å
377P69.2Low66.5Low43 Ų4354.8 Ų54.828%0.27931%0.306SS..Hα-helixtrans-63-35-179.7-19.931.6000112L353 S373 L379 V380 V381L353-P377 HydrophobicContact CD1-CB 4.05Å; L353-P377 HydrophobicContact CD2-CB 4.45Å; S373-P377 WeakPolarHBondContact O-CD 3.21Å; P377-L379 VanDerWaalsContact C-N 3.34Å; P377-L379 PolarHBondContact O-N 3.14Å; P377-V380 PolarHBondContact O-N 2.92Å; P377-V381 WeakPolarHBondContact O-CB 3.32Å; P377-V381 WeakPolarHBondContact O-CG2 3.38Å; P377-V381 PolarHBondContact O-N 2.89Å
378Y69.3Low68.1Low58 Ų5850.7 Ų50.723%0.22729%0.286CS..Hα-helixtrans-58.6-43.1173.4175.8-91.7000112.3I317 Y318 L321 V375 F376 L382I317-Y378 HydrophobicContact CG2-CD2 4.14Å; I317-Y378 HydrophobicContact CG2-CE2 4.1Å; Y318-Y378 PolarHBondContact OH-N 3.01Å; Y318-Y378 VanDerWaalsContact OH-N 3.12Å; L321-Y378 HydrophobicContact CD2-CD2 3.88Å; L321-Y378 HydrophobicContact CD2-CE2 4.05Å; V375-Y378 PolarHBondContact O-N 3.43Å; F376-Y378 VanDerWaalsContact C-N 3.27Å; F376-Y378 PolarHBondContact O-N 2.77Å; Y378-L382 WeakPolarHBondContact O-CB 3.34Å; Y378-L382 PolarHBondContact O-N 2.93Å
379L72.7Confident69.7Low76 Ų7649.9 Ų49.940%0.39828%0.278SS..Hα-helixtrans-65.1-45.5177.9-176.4152.1000111.7V375 F376 P377 L382 I383V375-L379 PolarHBondContact O-N 3.38Å; F376-L379 WeakPolarHBondContact O-CB 3.1Å; F376-L379 PolarHBondContact O-N 3.17Å; F376-L379 VanDerWaalsContact O-N 3.08Å; P377-L379 VanDerWaalsContact C-N 3.34Å; P377-L379 PolarHBondContact O-N 3.14Å; L379-L382 PolarHBondContact O-N 3.26Å; L379-I383 HydrophobicContact CD2-CD1 3.65Å; L379-I383 HydrophobicContact CG-CD1 4.35Å; L379-I383 WeakPolarHBondContact O-CG1 3.25Å; L379-I383 PolarHBondContact O-N 3.49Å; L379-I383 VanDerWaalsContact O-N 3.16Å
380V74.4Confident71.4Confident13 Ų1349.4 Ų49.48%0.07928%0.275CS..Hα-helixtrans-63-44.81771770000111L353 F376 P377 L382 I383 G384L353-V380 HydrophobicContact CD2-CB 3.94Å; L353-V380 HydrophobicContact CD2-CG1 3.92Å; L353-V380 HydrophobicContact CD2-CG2 4.03Å; L353-V380 HydrophobicContact CG-CB 4.46Å; L353-V380 HydrophobicContact CG-CG1 4.05Å; F376-V380 HydrophobicContact CD1-CG2 4.09Å; F376-V380 HydrophobicContact CE1-CG2 3.52Å; F376-V380 HydrophobicContact CE2-CG2 4.24Å; F376-V380 HydrophobicContact CZ-CG2 3.61Å; F376-V380 PolarHBondContact O-N 3.47Å; F376-V380 VanDerWaalsContact O-N 3.12Å; P377-V380 PolarHBondContact O-N 2.92Å; V380-L382 VanDerWaalsContact C-N 3.31Å; V380-L382 PolarHBondContact O-N 3.07Å; V380-I383 PolarHBondContact O-N 2.79Å; V380-G384 PolarHBondContact O-N 2.9Å
381V75.4Confident73.1Confident31 Ų3147.1 Ų47.119%0.18826%0.263CS..Hα-helixtrans-61.1-39.9178.4175.10000111.8L321 V349 L353 P377 F385L321-V381 HydrophobicContact CD2-CB 4.13Å; L321-V381 HydrophobicContact CD2-CG1 3.54Å; L321-V381 HydrophobicContact CG-CG1 4.2Å; V349-V381 HydrophobicContact CG1-CB 3.91Å; V349-V381 HydrophobicContact CG1-CG1 4.19Å; V349-V381 HydrophobicContact CG1-CG2 3.47Å; V349-V381 VanDerWaalsContact CG1-CG2 3.47Å; L353-V381 HydrophobicContact CD1-CG2 4.37Å; P377-V381 WeakPolarHBondContact O-CB 3.32Å; P377-V381 WeakPolarHBondContact O-CG2 3.38Å; P377-V381 PolarHBondContact O-N 2.89Å; V381-F385 WeakPolarHBondContact O-CB 3.31Å; V381-F385 PolarHBondContact O-N 3.11Å
382L76.9Confident75.1Confident73 Ų7340.3 Ų40.338%0.38223%0.227SC..Hα-helixtrans-65.5-46.4179.1-168.5114.5000112.1Y378 L379 V380 E386Y378-L382 WeakPolarHBondContact O-CB 3.34Å; Y378-L382 PolarHBondContact O-N 2.93Å; L379-L382 PolarHBondContact O-N 3.26Å; V380-L382 VanDerWaalsContact C-N 3.31Å; V380-L382 PolarHBondContact O-N 3.07Å; L382-E386 PolarHBondContact O-N 3.5Å; L382-E386 VanDerWaalsContact O-N 3.16Å
383I80.5Confident76.8Confident65 Ų6543.4 Ų43.433%0.33323%0.226SC..Hα-helixtrans-67.6-49.8-179.3-66.1175.3000110.9L379 V380 F385 E386 N387L379-I383 HydrophobicContact CD2-CD1 3.65Å; L379-I383 HydrophobicContact CG-CD1 4.35Å; L379-I383 WeakPolarHBondContact O-CG1 3.25Å; L379-I383 PolarHBondContact O-N 3.49Å; L379-I383 VanDerWaalsContact O-N 3.16Å; V380-I383 PolarHBondContact O-N 2.79Å; I383-F385 VanDerWaalsContact C-N 3.29Å; I383-F385 PolarHBondContact O-N 2.67Å; I383-E386 PolarHBondContact O-N 2.97Å; I383-N387 PolarHBondContact O-N 3.46Å; I383-N387 VanDerWaalsContact O-N 3.14Å
384G81.7Confident78.4Confident0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-62.3-37.1-179.300000112.5V380 N387 V388 D455 Q459V380-G384 PolarHBondContact O-N 2.9Å; G384-N387 PolarHBondContact O-N 3.36Å; G384-V388 WeakPolarHBondContact O-CB 3.39Å; G384-V388 VanDerWaalsContact O-CG2 3.32Å; G384-V388 WeakPolarHBondContact O-CG2 3.48Å; G384-V388 PolarHBondContact O-N 3.31Å; G384-D455 WeakPolarHBondContact CA-OD2 3.4Å; G384-Q459 PolarHBondContact O-NE2 3.19Å
385F81.2Confident79.6Confident16 Ų1637.6 Ų37.67%0.0720%0.195CC..Hα-helixtrans-69.7-37.6176.7-175.1-124.6000113.6Y324 V325 V329 V381 I383 V388 I389Y324-F385 HydrophobicContact CD1-CE1 4.18Å; Y324-F385 HydrophobicContact CE1-CD1 4.37Å; Y324-F385 AromaticContact CE1-CE1 3.94Å; Y324-F385 HydrophobicContact CE1-CE1 3.94Å; V325-F385 HydrophobicContact CB-CE1 4.16Å; V325-F385 HydrophobicContact CB-CE2 4.14Å; V325-F385 HydrophobicContact CB-CZ 3.87Å; V325-F385 HydrophobicContact CG1-CD2 4.25Å; V325-F385 HydrophobicContact CG1-CE2 3.66Å; V325-F385 HydrophobicContact CG1-CZ 3.83Å; V325-F385 HydrophobicContact CG2-CD1 3.73Å; V325-F385 HydrophobicContact CG2-CD2 4Å; V325-F385 HydrophobicContact CG2-CE1 3.61Å; V325-F385 HydrophobicContact CG2-CE2 3.92Å; V325-F385 HydrophobicContact CG2-CG 3.92Å; V325-F385 HydrophobicContact CG2-CZ 3.73Å; V329-F385 HydrophobicContact CG2-CE2 4.39Å; V381-F385 WeakPolarHBondContact O-CB 3.31Å; V381-F385 PolarHBondContact O-N 3.11Å; I383-F385 VanDerWaalsContact C-N 3.29Å; I383-F385 PolarHBondContact O-N 2.67Å; F385-V388 PolarHBondContact O-N 2.8Å; F385-I389 HydrophobicContact CD1-CD1 3.7Å; F385-I389 HydrophobicContact CD2-CD1 4.27Å; F385-I389 HydrophobicContact CD2-CG1 4.3Å; F385-I389 HydrophobicContact CE1-CD1 3.27Å; F385-I389 HydrophobicContact CE1-CG1 4.17Å; F385-I389 HydrophobicContact CE2-CD1 3.88Å; F385-I389 HydrophobicContact CE2-CG1 3.84Å; F385-I389 HydrophobicContact CG-CD1 4.18Å; F385-I389 HydrophobicContact CZ-CD1 3.36Å; F385-I389 HydrophobicContact CZ-CG1 3.77Å; F385-I389 WeakPolarHBondContact O-CG1 3.4Å; F385-I389 PolarHBondContact O-N 3.08Å
386E83.4Confident80.5Confident92 Ų9235.4 Ų35.443%0.4318%0.181SC..Hα-helixtrans-62.6-45.1174.7-175.8166.3-160.300111.2L382 I383 V388 I389 V390 L939L382-E386 PolarHBondContact O-N 3.5Å; L382-E386 VanDerWaalsContact O-N 3.16Å; I383-E386 PolarHBondContact O-N 2.97Å; E386-V388 PolarHBondContact O-N 3.2Å; E386-I389 PolarHBondContact O-N 3.47Å; E386-V390 WeakPolarHBondContact O-CG2 3.21Å; E386-V390 PolarHBondContact O-N 3.45Å; E386-L939 WeakPolarHBondContact OE1-CD2 3.4Å
387N86Confident81.3Confident22 Ų2239.1 Ų39.112%0.11821%0.213CC..Hα-helixtrans-57.3-49.1175.8-69.5-16.4000112I383 G384 I389 V390 L391 L422 Q459I383-N387 PolarHBondContact O-N 3.46Å; I383-N387 VanDerWaalsContact O-N 3.14Å; G384-N387 PolarHBondContact O-N 3.36Å; N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.01Å; N387-V390 PolarHBondContact O-N 2.73Å; N387-L391 WeakPolarHBondContact O-CB 3.35Å; N387-L391 PolarHBondContact O-N 3Å; N387-L422 WeakPolarHBondContact OD1-CD2 3.04Å; N387-Q459 PolarHBondContact ND2-OE1 3.35Å
388V85.9Confident82.1Confident4 Ų437.6 Ų37.62%0.02420%0.204CC..Hα-helixtrans-59.2-40.9177.7162.60000112A345 G384 F385 E386 T392 Q459 F463A345-V388 HydrophobicContact CB-CG1 3.74Å; G384-V388 WeakPolarHBondContact O-CB 3.39Å; G384-V388 VanDerWaalsContact O-CG2 3.32Å; G384-V388 WeakPolarHBondContact O-CG2 3.48Å; G384-V388 PolarHBondContact O-N 3.31Å; F385-V388 PolarHBondContact O-N 2.8Å; E386-V388 PolarHBondContact O-N 3.2Å; V388-T392 WeakPolarHBondContact O-CB 3.39Å; V388-T392 PolarHBondContact O-N 3.22Å; V388-T392 PolarHBondContact O-OG1 3.38Å; V388-Q459 HydrophobicContact CG2-CG 4.07Å; V388-F463 HydrophobicContact CG1-CD1 4.42Å; V388-F463 HydrophobicContact CG1-CD2 4.2Å; V388-F463 HydrophobicContact CG1-CE1 3.89Å; V388-F463 HydrophobicContact CG1-CE2 3.65Å; V388-F463 HydrophobicContact CG1-CZ 3.49Å; V388-F463 VanDerWaalsContact CG1-CZ 3.49Å; V388-F463 HydrophobicContact CG2-CD1 4.39Å; V388-F463 HydrophobicContact CG2-CD2 4.42Å; V388-F463 HydrophobicContact CG2-CG 4.3Å
389I83.5Confident82.7Confident34 Ų3438 Ų3817%0.17421%0.213CC..Hα-helixtrans-63.8-45.9175.9-72.3162.8000111.6F385 E386 N387 T392 K393F385-I389 HydrophobicContact CD1-CD1 3.7Å; F385-I389 HydrophobicContact CD2-CD1 4.27Å; F385-I389 HydrophobicContact CD2-CG1 4.3Å; F385-I389 HydrophobicContact CE1-CD1 3.27Å; F385-I389 HydrophobicContact CE1-CG1 4.17Å; F385-I389 HydrophobicContact CE2-CD1 3.88Å; F385-I389 HydrophobicContact CE2-CG1 3.84Å; F385-I389 HydrophobicContact CG-CD1 4.18Å; F385-I389 HydrophobicContact CZ-CD1 3.36Å; F385-I389 HydrophobicContact CZ-CG1 3.77Å; F385-I389 WeakPolarHBondContact O-CG1 3.4Å; F385-I389 PolarHBondContact O-N 3.08Å; E386-I389 PolarHBondContact O-N 3.47Å; N387-I389 VanDerWaalsContact C-N 3.33Å; N387-I389 PolarHBondContact O-N 3.01Å; I389-T392 PolarHBondContact O-N 3.28Å; I389-K393 HydrophobicContact CG2-CD 3.86Å; I389-K393 HydrophobicContact CG2-CG 4.49Å; I389-K393 VanDerWaalsContact O-CG 3.31Å; I389-K393 WeakPolarHBondContact O-CG 3.4Å; I389-K393 PolarHBondContact O-N 3.42Å
390V86.2Confident82.8Confident50 Ų5038.9 Ų38.930%0.30322%0.222SC..Hα-helixtrans-62.3-48.4-178.7171.60000110.3E386 N387 T392 K393 S394 E415E386-V390 WeakPolarHBondContact O-CG2 3.21Å; E386-V390 PolarHBondContact O-N 3.45Å; N387-V390 PolarHBondContact O-N 2.73Å; V390-T392 PolarHBondContact O-N 3.49Å; V390-K393 PolarHBondContact O-N 3.3Å; V390-K393 VanDerWaalsContact O-N 3.15Å; V390-S394 PolarHBondContact O-N 3.3Å; V390-S394 VanDerWaalsContact O-N 3.09Å; V390-E415 HydrophobicContact CG1-CG 4.21Å
391L87.2Confident82.8Confident5 Ų545.3 Ų45.33%0.02626%0.256CS..Hα-helixtrans-63.3-39.2179.4-176.557.6000112.8N387 K393 S394 V395 L412 F463 V464N387-L391 WeakPolarHBondContact O-CB 3.35Å; N387-L391 PolarHBondContact O-N 3Å; L391-K393 VanDerWaalsContact C-N 3.35Å; L391-S394 PolarHBondContact O-OG 3Å; L391-V395 WeakPolarHBondContact O-CG2 3.16Å; L391-V395 PolarHBondContact O-N 3.03Å; L391-L412 HydrophobicContact CD1-CD1 3.77Å; L391-F463 HydrophobicContact CD2-CD1 4.38Å; L391-V464 HydrophobicContact CD2-CG2 3.75Å; L391-V464 HydrophobicContact CG-CG2 4.48Å
392T86.4Confident83Confident4 Ų447.2 Ų47.23%0.02526%0.264CS..Hα-helixtrans-62-43.7173.3-57.70000111.1L332 L341 V388 I389 V390 V396 F463L332-T392 HydrophobicContact CD1-CG2 3.72Å; L341-T392 HydrophobicContact CD2-CG2 3.99Å; V388-T392 WeakPolarHBondContact O-CB 3.39Å; V388-T392 PolarHBondContact O-N 3.22Å; V388-T392 PolarHBondContact O-OG1 3.38Å; I389-T392 PolarHBondContact O-N 3.28Å; V390-T392 PolarHBondContact O-N 3.49Å; T392-V396 HydrophobicContact CG2-CG2 4.31Å; T392-V396 WeakPolarHBondContact O-CB 3.39Å; T392-V396 VanDerWaalsContact O-CG2 3.24Å; T392-V396 WeakPolarHBondContact O-CG2 3.39Å; T392-V396 PolarHBondContact O-N 3.28Å; T392-F463 WeakPolarHBondContact OG1-CZ 3.21Å
393K85.4Confident83.2Confident115 Ų11547.5 Ų47.550%0.527%0.271SS..Hα-helixtrans-65.7-39.9-178.4-76.3167.6179.1166.50112.8I389 V390 L391 V396 A397I389-K393 HydrophobicContact CG2-CD 3.86Å; I389-K393 HydrophobicContact CG2-CG 4.49Å; I389-K393 VanDerWaalsContact O-CG 3.31Å; I389-K393 WeakPolarHBondContact O-CG 3.4Å; I389-K393 PolarHBondContact O-N 3.42Å; V390-K393 PolarHBondContact O-N 3.3Å; V390-K393 VanDerWaalsContact O-N 3.15Å; L391-K393 VanDerWaalsContact C-N 3.35Å; K393-V396 PolarHBondContact O-N 2.9Å; K393-A397 WeakPolarHBondContact O-CB 3.33Å; K393-A397 PolarHBondContact O-N 3.41Å
394S87.6Confident83.4Confident10 Ų1045 Ų457%0.0726%0.258CS..Hα-helixtrans-67.8-40.8-179.768.20000112.3V390 L391 A397 G411 E415V390-S394 PolarHBondContact O-N 3.3Å; V390-S394 VanDerWaalsContact O-N 3.09Å; L391-S394 PolarHBondContact O-OG 3Å; S394-A397 PolarHBondContact O-N 3.19Å; S394-G411 WeakPolarHBondContact CB-O 3.41Å; S394-G411 PolarHBondContact OG-O 2.91Å; S394-E415 WeakPolarHBondContact OG-CG 3.46Å
395V87.8Confident83.6Confident3 Ų349 Ų492%0.01828%0.276CS..Hα-helixtrans-63.6-42.7173.4172.90000111.4L391 A397 T398 I408 L467 I471L391-V395 WeakPolarHBondContact O-CG2 3.16Å; L391-V395 PolarHBondContact O-N 3.03Å; V395-A397 VanDerWaalsContact C-N 3.29Å; V395-A397 PolarHBondContact O-N 3.15Å; V395-T398 PolarHBondContact O-N 3.05Å; V395-T398 PolarHBondContact O-OG1 2.81Å; V395-I408 HydrophobicContact CG1-CD1 3.59Å; V395-L467 HydrophobicContact CB-CD2 4.07Å; V395-L467 HydrophobicContact CG1-CD2 4.03Å; V395-L467 HydrophobicContact CG1-CG 4.4Å; V395-L467 HydrophobicContact CG2-CD2 4.07Å; V395-I471 HydrophobicContact CG1-CD1 3.53Å
396V84Confident84.1Confident22 Ų2253.5 Ų53.513%0.13329%0.293CS..Hα-helixtrans-72.3-19.1177.61700000113.1M334 T392 K393M334-V396 HydrophobicContact CB-CG1 4.14Å; M334-V396 HydrophobicContact CE-CG1 3.92Å; M334-V396 WeakPolarHBondContact CE-O 3.45Å; M334-V396 HydrophobicContact CG-CG1 4.12Å; M334-V396 HydrophobicContact SD-CG1 3.83Å; T392-V396 HydrophobicContact CG2-CG2 4.31Å; T392-V396 WeakPolarHBondContact O-CB 3.39Å; T392-V396 VanDerWaalsContact O-CG2 3.24Å; T392-V396 WeakPolarHBondContact O-CG2 3.39Å; T392-V396 PolarHBondContact O-N 3.28Å; K393-V396 PolarHBondContact O-N 2.9Å
397A83.5Confident84.4Confident85 Ų8549.4 Ų49.470%0.70227%0.273SS*.THydrogen-bonded Turntrans-90.55.2177.700000114.6K393 S394 V395K393-A397 WeakPolarHBondContact O-CB 3.33Å; K393-A397 PolarHBondContact O-N 3.41Å; S394-A397 PolarHBondContact O-N 3.19Å; V395-A397 VanDerWaalsContact C-N 3.29Å; V395-A397 PolarHBondContact O-N 3.15Å
398T85.9Confident84.5Confident12 Ų1248.4 Ų48.47%0.07427%0.268CS..SBendtrans-81.6151.917254.40000111.4V395 R407 E410V395-T398 PolarHBondContact O-N 3.05Å; V395-T398 PolarHBondContact O-OG1 2.81Å; T398-R407 WeakPolarHBondContact OG1-CG 3.49Å; T398-E410 HydrophobicContact CG2-CB 4.48Å; T398-E410 HydrophobicContact CG2-CG 4.22Å
399P81.4Confident84.8Confident66 Ų6648.2 Ų48.243%0.42927%0.267SS..  trans-62143.5177.225.5-34.5000111.8D401 L402P399-D401 VanDerWaalsContact C-N 3.27Å; P399-D401 PolarHBondContact O-N 3.02Å; P399-L402 HydrophobicContact CG-CD1 4.25Å
400V74.1Confident85.1Confident95 Ų9549.5 Ų49.558%0.57627%0.272SS*.THydrogen-bonded Turntrans-75.6-18.6-175.5-173.80000111.8L402V400-L402 PolarHBondContact O-N 3.21Å; V400-L402 VanDerWaalsContact O-N 3.09Å
401D75.3Confident85.3Confident148 Ų14847.1 Ų47.179%0.79126%0.258SS*.THydrogen-bonded Turntrans-67.9-8-177.5-39.3-75.1000114P399P399-D401 VanDerWaalsContact C-N 3.27Å; P399-D401 PolarHBondContact O-N 3.02Å
402L78.2Confident85.5Confident71 Ų7147 Ų4737%0.37226%0.257SS..SBendtrans-102.2133.6-179.7-87.966.4000111.2P399 V400P399-L402 HydrophobicContact CG-CD1 4.25Å; V400-L402 PolarHBondContact O-N 3.21Å; V400-L402 VanDerWaalsContact O-N 3.09Å
403P82.8Confident85.7Confident79 Ų7947.2 Ų47.251%0.51326%0.259SS..  trans-55.4143175.5-23.731.6000112.6K405 Y406 R407P403-K405 PolarHBondContact O-N 3.08Å; P403-Y406 HydrophobicContact CB-CD2 4.24Å; P403-Y406 HydrophobicContact CG-CD2 4.26Å; P403-Y406 PolarHBondContact O-N 2.95Å; P403-R407 PolarHBondContact O-N 3.26Å; P403-R407 VanDerWaalsContact O-N 3.09Å
404V83Confident85.9Confident13 Ų1347.1 Ų47.18%0.07926%0.258CS..Hα-helixtrans-33-48.9-179.9-170.10000113.4Y406 R407 I408 I471 R472 E475V404-Y406 PolarHBondContact O-N 2.96Å; V404-R407 CarbonylContact O-C 3.58Å; V404-R407 WeakPolarHBondContact O-CA 3.43Å; V404-R407 WeakPolarHBondContact O-CB 3.36Å; V404-R407 PolarHBondContact O-N 3.31Å; V404-R407 VanDerWaalsContact O-N 3.1Å; V404-I408 HydrophobicContact CG1-CG1 4.09Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.93Å; V404-I471 HydrophobicContact CG1-CG2 4.04Å; V404-I471 HydrophobicContact CG2-CG2 4.35Å; V404-R472 HydrophobicContact CG1-CB 4.3Å; V404-R472 HydrophobicContact CG2-CB 4.06Å; V404-R472 HydrophobicContact CG2-CG 4.33Å; V404-E475 WeakPolarHBondContact CG2-OE2 3.37Å
405K87.8Confident85.9Confident84 Ų8449.4 Ų49.437%0.36527%0.268SS..Hα-helixtrans-53.5-48.8-178.1-65.5-171.4173.4-155.10113.8L30 S33 S34 P403 A409L30-K405 HydrophobicContact CD1-CB 4.1Å; S33-K405 WeakPolarHBondContact OG-CA 3.44Å; S34-K405 WeakPolarHBondContact OG-CE 3.29Å; S34-K405 PolarHBondContact OG-NZ 3.22Å; P403-K405 PolarHBondContact O-N 3.08Å; K405-A409 WeakPolarHBondContact O-CB 3.28Å; K405-A409 PolarHBondContact O-N 2.82Å
406Y89.9Confident86Confident110 Ų11049.4 Ų49.443%0.43127%0.268SS..Hα-helixtrans-76.2-34.7177.6-59.7-73.4000110.9L30 P403 V404 I408 A409 E410L30-Y406 HydrophobicContact CD1-CE1 4.31Å; P403-Y406 HydrophobicContact CB-CD2 4.24Å; P403-Y406 HydrophobicContact CG-CD2 4.26Å; P403-Y406 PolarHBondContact O-N 2.95Å; V404-Y406 PolarHBondContact O-N 2.96Å; Y406-I408 PolarHBondContact O-N 3.19Å; Y406-A409 PolarHBondContact O-N 2.85Å; Y406-E410 WeakPolarHBondContact O-CB 3.28Å; Y406-E410 PolarHBondContact O-N 3.03Å
407R89.7Confident86.2Confident5 Ų552 Ų522%0.01928%0.275CS..Hα-helixtrans-60-43.9176.8-156.9-179.3129.1-174.64.5112.7T398 P403 V404 G411 E475T398-R407 WeakPolarHBondContact OG1-CG 3.49Å; P403-R407 PolarHBondContact O-N 3.26Å; P403-R407 VanDerWaalsContact O-N 3.09Å; V404-R407 CarbonylContact O-C 3.58Å; V404-R407 WeakPolarHBondContact O-CA 3.43Å; V404-R407 WeakPolarHBondContact O-CB 3.36Å; V404-R407 PolarHBondContact O-N 3.31Å; V404-R407 VanDerWaalsContact O-N 3.1Å; R407-G411 PolarHBondContact O-N 2.92Å; R407-E475 IonicContact CZ-OE1 3.75Å; R407-E475 IonicContact NH1-OE1 2.66Å; R407-E475 PolarHBondContact NH1-OE1 3.03Å
408I89.8Confident86.4Confident1 Ų151 Ų511%0.00526%0.264CS..Hα-helixtrans-67.3-50.5172.2-61-57.2000110.8V395 V404 Y406 E410 G411 L412 V464 I471V395-I408 HydrophobicContact CG1-CD1 3.59Å; V404-I408 HydrophobicContact CG1-CG1 4.09Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 2.93Å; Y406-I408 PolarHBondContact O-N 3.19Å; I408-E410 VanDerWaalsContact C-N 3.25Å; I408-E410 PolarHBondContact O-N 3.09Å; I408-G411 PolarHBondContact O-N 3.08Å; I408-L412 VanDerWaalsContact O-CB 3.22Å; I408-L412 WeakPolarHBondContact O-CB 3.07Å; I408-L412 PolarHBondContact O-N 3.25Å; I408-V464 HydrophobicContact CG2-CG1 3.74Å; I408-I471 HydrophobicContact CD1-CD1 3.9Å
409A91.3Very high86.4Confident0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-56.7-39.7-17900000112.4Y26 L30 K405 Y406 S413Y26-A409 HydrophobicContact CD2-CB 3.68Å; Y26-A409 HydrophobicContact CE2-CB 3.76Å; Y26-A409 HydrophobicContact CG-CB 4.1Å; Y26-A409 WeakPolarHBondContact O-CB 3.5Å; L30-A409 HydrophobicContact CB-CB 4.23Å; K405-A409 WeakPolarHBondContact O-CB 3.28Å; K405-A409 PolarHBondContact O-N 2.82Å; Y406-A409 PolarHBondContact O-N 2.85Å; A409-S413 VanDerWaalsContact O-CB 3.28Å; A409-S413 WeakPolarHBondContact O-CB 3.44Å; A409-S413 PolarHBondContact O-N 2.99Å
410E91Very high86.7Confident62 Ų6248.9 Ų48.929%0.2925%0.248SC..Hα-helixtrans-83.3-27.9-178.9179.161.7178.400113.8T398 Y406 I408 L412 S413 K414T398-E410 HydrophobicContact CG2-CB 4.48Å; T398-E410 HydrophobicContact CG2-CG 4.22Å; Y406-E410 WeakPolarHBondContact O-CB 3.28Å; Y406-E410 PolarHBondContact O-N 3.03Å; I408-E410 VanDerWaalsContact C-N 3.25Å; I408-E410 PolarHBondContact O-N 3.09Å; E410-L412 VanDerWaalsContact C-N 3.35Å; E410-S413 WeakPolarHBondContact CA-OG 3.41Å; E410-S413 PolarHBondContact O-OG 3.46Å; E410-S413 PolarHBondContact OE2-OG 3.29Å; E410-K414 VanDerWaalsContact CD-NZ 3.34Å; E410-K414 VanDerWaalsContact CG-NZ 3.33Å; E410-K414 WeakPolarHBondContact O-CD 3.5Å; E410-K414 WeakPolarHBondContact O-CG 3.43Å; E410-K414 WeakPolarHBondContact OE1-CE 3.16Å; E410-K414 IonicContact OE1-NZ 2.66Å; E410-K414 PolarHBondContact OE1-NZ 3.02Å
411G89.3Confident87.4Confident0 Ų050.2 Ų50.20%025%0.246CC..Hα-helixtrans-69.5-35.1168.500000112.5S394 R407 I408S394-G411 WeakPolarHBondContact CB-O 3.41Å; S394-G411 PolarHBondContact OG-O 2.91Å; R407-G411 PolarHBondContact O-N 2.92Å; I408-G411 PolarHBondContact O-N 3.08Å
412L91.3Very high87.9Confident3 Ų347.5 Ų47.52%0.01623%0.231CC..Hα-helixtrans-79.7-34.8177.9-174.261.1000112.2Y25 L391 I408 E410 K414 S416 L460 V464Y25-L412 HydrophobicContact CD1-CD1 3.58Å; Y25-L412 HydrophobicContact CD1-CG 3.73Å; Y25-L412 HydrophobicContact CE1-CD1 4.06Å; Y25-L412 HydrophobicContact CG-CG 4.38Å; Y25-L412 WeakPolarHBondContact O-CD2 3.38Å; L391-L412 HydrophobicContact CD1-CD1 3.77Å; I408-L412 VanDerWaalsContact O-CB 3.22Å; I408-L412 WeakPolarHBondContact O-CB 3.07Å; I408-L412 PolarHBondContact O-N 3.25Å; E410-L412 VanDerWaalsContact C-N 3.35Å; L412-K414 VanDerWaalsContact C-N 3.29Å; L412-K414 PolarHBondContact O-N 3.4Å; L412-S416 WeakPolarHBondContact O-CB 3.41Å; L412-S416 PolarHBondContact O-N 3.44Å; L412-L460 HydrophobicContact CD1-CD2 4.2Å; L412-V464 HydrophobicContact CD1-CG2 4.41Å; L412-V464 HydrophobicContact CD2-CG1 4.4Å
413S91.6Very high88.4Confident8 Ų846.4 Ų46.46%0.05622%0.223CC..Hα-helixtrans-60.1-38.1175.875.90000112.2S22 A409 E410 S416S22-S413 PolarHBondContact OG-O 3.45Å; A409-S413 VanDerWaalsContact O-CB 3.28Å; A409-S413 WeakPolarHBondContact O-CB 3.44Å; A409-S413 PolarHBondContact O-N 2.99Å; E410-S413 WeakPolarHBondContact CA-OG 3.41Å; E410-S413 PolarHBondContact O-OG 3.46Å; E410-S413 PolarHBondContact OE2-OG 3.29Å; S413-S416 WeakPolarHBondContact O-CB 3.44Å; S413-S416 PolarHBondContact O-OG 3.4Å
414K89.2Confident88.7Confident112 Ų11248.9 Ų48.949%0.48723%0.226SC..Hα-helixtrans-70.3-48.2-174.9-78.6169.6178.2144.40114E410 L412E410-K414 VanDerWaalsContact CD-NZ 3.34Å; E410-K414 VanDerWaalsContact CG-NZ 3.33Å; E410-K414 WeakPolarHBondContact O-CD 3.5Å; E410-K414 WeakPolarHBondContact O-CG 3.43Å; E410-K414 WeakPolarHBondContact OE1-CE 3.16Å; E410-K414 IonicContact OE1-NZ 2.66Å; E410-K414 PolarHBondContact OE1-NZ 3.02Å; L412-K414 VanDerWaalsContact C-N 3.29Å; L412-K414 PolarHBondContact O-N 3.4Å
415E87.4Confident88.9Confident59 Ų5951.8 Ų51.828%0.27624%0.244SC..Hα-helixtrans-85.8-8.7-180-67.9-60.6153.600113.6V390 S394 W417 S418 H419V390-E415 HydrophobicContact CG1-CG 4.21Å; S394-E415 WeakPolarHBondContact OG-CG 3.46Å; E415-W417 VanDerWaalsContact C-N 3.26Å; E415-W417 PolarHBondContact O-N 3.47Å; E415-W417 VanDerWaalsContact O-N 3.07Å; E415-S418 WeakPolarHBondContact O-CA 3.27Å; E415-S418 WeakPolarHBondContact O-CB 3.21Å; E415-S418 PolarHBondContact O-N 2.92Å; E415-S418 VanDerWaalsContact OE2-CB 3.29Å; E415-S418 WeakPolarHBondContact OE2-CB 3.29Å; E415-H419 WeakPolarHBondContact O-CB 3.47Å; E415-H419 PolarHBondContact O-N 3.04Å
416S89.5Confident88.8Confident3 Ų348.6 Ų48.62%0.02123%0.234CC..Hα-helixtrans-44.3-45-176.8640000114.8S22 L412 S413 T420S22-S416 VanDerWaalsContact CA-OG 3.31Å; S22-S416 WeakPolarHBondContact CA-OG 3.2Å; L412-S416 WeakPolarHBondContact O-CB 3.41Å; L412-S416 PolarHBondContact O-N 3.44Å; S413-S416 WeakPolarHBondContact O-CB 3.44Å; S413-S416 PolarHBondContact O-OG 3.4Å; S416-T420 WeakPolarHBondContact O-CB 3.39Å; S416-T420 PolarHBondContact O-N 2.88Å; S416-T420 PolarHBondContact O-OG1 3.35Å
417W87.7Confident88.7Confident75 Ų7545.4 Ų45.428%0.28422%0.224SC..Hα-helixtrans-69.7-42.5177.1174.4-109.7000113.1L14 K18 I21 E415 K421L14-W417 HydrophobicContact CD1-CH2 3.51Å; L14-W417 HydrophobicContact CD1-CZ2 3.72Å; L14-W417 HydrophobicContact CD2-CZ2 4.47Å; L14-W417 HydrophobicContact CG-CH2 4.21Å; L14-W417 HydrophobicContact CG-CZ2 4.12Å; K18-W417 HydrophobicContact CB-CE3 4.48Å; K18-W417 HydrophobicContact CD-CD2 4.37Å; K18-W417 HydrophobicContact CD-CG 4.48Å; K18-W417 HydrophobicContact CG-CB 4.28Å; K18-W417 HydrophobicContact CG-CD2 3.44Å; K18-W417 VanDerWaalsContact CG-CD2 3.44Å; K18-W417 HydrophobicContact CG-CE3 3.61Å; K18-W417 HydrophobicContact CG-CG 3.73Å; K18-W417 HydrophobicContact CG-CZ2 4.43Å; K18-W417 HydrophobicContact CG-CZ3 4.18Å; I21-W417 HydrophobicContact CD1-CE3 3.9Å; I21-W417 HydrophobicContact CD1-CZ3 3.93Å; E415-W417 VanDerWaalsContact C-N 3.26Å; E415-W417 PolarHBondContact O-N 3.47Å; E415-W417 VanDerWaalsContact O-N 3.07Å; W417-K421 WeakPolarHBondContact O-CB 3.4Å; W417-K421 PolarHBondContact O-N 3.2Å
418S87.7Confident88.7Confident66 Ų6650.8 Ų50.846%0.46225%0.253SS..Hα-helixtrans-62-50.4179.6-165.30000110.5E415 K421 L422E415-S418 WeakPolarHBondContact O-CA 3.27Å; E415-S418 WeakPolarHBondContact O-CB 3.21Å; E415-S418 PolarHBondContact O-N 2.92Å; E415-S418 VanDerWaalsContact OE2-CB 3.29Å; E415-S418 WeakPolarHBondContact OE2-CB 3.29Å; S418-K421 PolarHBondContact O-N 3.27Å; S418-L422 PolarHBondContact O-N 2.99Å
419H86.7Confident88.6Confident18 Ų1855.9 Ų55.98%0.08328%0.28CS..Hα-helixtrans-64.4-50.2-179.9-166.266.7000111.9E415 K421 L422 Y423 F456 Q459E415-H419 WeakPolarHBondContact O-CB 3.47Å; E415-H419 PolarHBondContact O-N 3.04Å; H419-K421 VanDerWaalsContact C-N 3.33Å; H419-K421 PolarHBondContact O-N 2.96Å; H419-L422 PolarHBondContact O-N 3.15Å; H419-Y423 PolarHBondContact O-N 2.88Å; H419-Y423 VanDerWaalsContact O-N 3.14Å; H419-F456 AromaticContact CD2-CE2 3.67Å; H419-F456 AromaticContact NE2-CD2 3.72Å; H419-F456 AromaticContact NE2-CE2 3.82Å; H419-Q459 PolarHBondContact CE1-OE1 3.02Å
420T88.4Confident88.4Confident15 Ų1557.2 Ų57.29%0.09229%0.287CS..Hα-helixtrans-60.2-41.7176.7-58.80000111.9I21 Y25 S416 L422 Y423 F424I21-T420 HydrophobicContact CD1-CG2 4.29Å; Y25-T420 PolarHBondContact OH-OG1 3.41Å; S416-T420 WeakPolarHBondContact O-CB 3.39Å; S416-T420 PolarHBondContact O-N 2.88Å; S416-T420 PolarHBondContact O-OG1 3.35Å; T420-L422 PolarHBondContact O-N 3.22Å; T420-Y423 PolarHBondContact O-N 2.79Å; T420-F424 HydrophobicContact CG2-CD2 3.75Å; T420-F424 HydrophobicContact CG2-CE2 3.79Å; T420-F424 WeakPolarHBondContact O-CD2 3.38Å; T420-F424 PolarHBondContact O-N 2.92Å; T420-F424 VanDerWaalsContact O-N 3.11Å
421K87.2Confident88.1Confident122 Ų12255.9 Ų55.953%0.5329%0.289SS..Hα-helixtrans-63.4-41.5178.3-179.9-173.6173.5-168.10111.7W417 S418 H419 T425W417-K421 WeakPolarHBondContact O-CB 3.4Å; W417-K421 PolarHBondContact O-N 3.2Å; S418-K421 PolarHBondContact O-N 3.27Å; H419-K421 VanDerWaalsContact C-N 3.33Å; H419-K421 PolarHBondContact O-N 2.96Å; K421-T425 WeakPolarHBondContact O-CB 3.17Å; K421-T425 PolarHBondContact O-N 2.78Å; K421-T425 PolarHBondContact O-OG1 3.24Å
422L86.7Confident88Confident91 Ų9160.9 Ų60.948%0.47632%0.315SS..Hα-helixtrans-62.8-47.3178.8-178.958.1000111.1N387 S418 H419 T420 T425 G426N387-L422 WeakPolarHBondContact OD1-CD2 3.04Å; S418-L422 PolarHBondContact O-N 2.99Å; H419-L422 PolarHBondContact O-N 3.15Å; T420-L422 PolarHBondContact O-N 3.22Å; L422-T425 PolarHBondContact O-N 2.8Å; L422-G426 PolarHBondContact O-N 3.16Å
423Y89.3Confident87.6Confident48 Ų4861.5 Ų61.519%0.18832%0.322CS..Hα-helixtrans-54-54.5174.9170.5-100.6000112.8H419 T420 T425 G426 L427 L452 T453 F456H419-Y423 PolarHBondContact O-N 2.88Å; H419-Y423 VanDerWaalsContact O-N 3.14Å; T420-Y423 PolarHBondContact O-N 2.79Å; Y423-T425 VanDerWaalsContact C-N 3.29Å; Y423-T425 PolarHBondContact O-N 2.84Å; Y423-G426 PolarHBondContact O-N 2.8Å; Y423-G426 VanDerWaalsContact O-N 3.14Å; Y423-L427 HydrophobicContact CD1-CD1 4.24Å; Y423-L427 HydrophobicContact CE1-CD1 3.63Å; Y423-L427 HydrophobicContact CE2-CD1 4.21Å; Y423-L427 PolarHBondContact O-N 3.4Å; Y423-L452 HydrophobicContact CD2-CD2 3.52Å; Y423-L452 HydrophobicContact CE2-CD2 3.74Å; Y423-L452 HydrophobicContact CG-CD2 4.44Å; Y423-T453 HydrophobicContact CE2-CG2 4.11Å; Y423-F456 HydrophobicContact CD1-CE1 4.49Å; Y423-F456 HydrophobicContact CD1-CZ 4.46Å; Y423-F456 HydrophobicContact CD2-CB 3.66Å; Y423-F456 AromaticContact CD2-CD1 3.92Å; Y423-F456 HydrophobicContact CD2-CD1 3.92Å; Y423-F456 AromaticContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CE2 4.46Å; Y423-F456 AromaticContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CE1-CD1 4.49Å; Y423-F456 HydrophobicContact CE1-CE1 4.4Å; Y423-F456 HydrophobicContact CE2-CB 3.81Å; Y423-F456 AromaticContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CE1 4.42Å; Y423-F456 AromaticContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CG-CD1 4.36Å; Y423-F456 AromaticContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CE2 4.18Å; Y423-F456 HydrophobicContact CG-CG 4.08Å; Y423-F456 HydrophobicContact CG-CZ 4.44Å
424F88.6Confident87.2Confident132 Ų13265.1 Ų65.158%0.57934%0.337SS*.Hα-helixtrans-64.9-30.8177.9-83.4-72.5000113.4T420 L428T420-F424 HydrophobicContact CG2-CD2 3.75Å; T420-F424 HydrophobicContact CG2-CE2 3.79Å; T420-F424 WeakPolarHBondContact O-CD2 3.38Å; T420-F424 PolarHBondContact O-N 2.92Å; T420-F424 VanDerWaalsContact O-N 3.11Å; F424-L428 WeakPolarHBondContact O-CB 3.32Å; F424-L428 PolarHBondContact O-N 3.46Å
425T87.3Confident87Confident74 Ų7464.9 Ų64.945%0.45434%0.341SS..Hα-helixtrans-68.8-38.1174.4-54.20000111.1K421 L422 Y423 L428 L429K421-T425 WeakPolarHBondContact O-CB 3.17Å; K421-T425 PolarHBondContact O-N 2.78Å; K421-T425 PolarHBondContact O-OG1 3.24Å; L422-T425 PolarHBondContact O-N 2.8Å; Y423-T425 VanDerWaalsContact C-N 3.29Å; Y423-T425 PolarHBondContact O-N 2.84Å; T425-L428 PolarHBondContact O-N 3.15Å; T425-L429 WeakPolarHBondContact O-CB 3.22Å; T425-L429 PolarHBondContact O-N 3.29Å
426G86.3Confident86.5Confident16 Ų1666 Ų6617%0.16535%0.352CS..Hα-helixtrans-62.7-50173.600000112.3L422 Y423 L428 L429 L430L422-G426 PolarHBondContact O-N 3.16Å; Y423-G426 PolarHBondContact O-N 2.8Å; Y423-G426 VanDerWaalsContact O-N 3.14Å; G426-L428 VanDerWaalsContact C-N 3.33Å; G426-L428 PolarHBondContact O-N 3.4Å; G426-L429 PolarHBondContact O-N 2.76Å; G426-L430 WeakPolarHBondContact O-CG 3.41Å; G426-L430 PolarHBondContact O-N 3.45Å
427L87.5Confident85.9Confident43 Ų4373.3 Ų73.323%0.22538%0.383CS..Hα-helixtrans-57.5-43.2175.5-70.5178.9000112.6Y423 L430 G431 V449 L452 T453Y423-L427 HydrophobicContact CD1-CD1 4.24Å; Y423-L427 HydrophobicContact CE1-CD1 3.63Å; Y423-L427 HydrophobicContact CE2-CD1 4.21Å; Y423-L427 PolarHBondContact O-N 3.4Å; L427-L430 PolarHBondContact O-N 3.19Å; L427-G431 PolarHBondContact O-N 3.38Å; L427-V449 HydrophobicContact CD2-CG1 4.01Å; L427-V449 HydrophobicContact CD2-CG2 4.27Å; L427-L452 HydrophobicContact CD2-CD2 3.83Å; L427-L452 HydrophobicContact CG-CD2 3.91Å; L427-T453 HydrophobicContact CD2-CG2 4.22Å
428L88.4Confident85Confident119 Ų11974.5 Ų74.562%0.62339%0.392SS*.Hα-helixtrans-64.3-40.7177.5-177.264000112.2F424 T425 G426 G431 L432F424-L428 WeakPolarHBondContact O-CB 3.32Å; F424-L428 PolarHBondContact O-N 3.46Å; T425-L428 PolarHBondContact O-N 3.15Å; G426-L428 VanDerWaalsContact C-N 3.33Å; G426-L428 PolarHBondContact O-N 3.4Å; L428-G431 PolarHBondContact O-N 3.27Å; L428-L432 WeakPolarHBondContact O-CG 3.43Å; L428-L432 PolarHBondContact O-N 3.05Å
429L88.6Confident83.9Confident108 Ų10873.3 Ų73.357%0.56538%0.383SS*.Hα-helixtrans-67-41.5178.2-175.964.5000112T425 G426 L432 G433T425-L429 WeakPolarHBondContact O-CB 3.22Å; T425-L429 PolarHBondContact O-N 3.29Å; G426-L429 PolarHBondContact O-N 2.76Å; L429-L432 PolarHBondContact O-N 2.75Å; L429-G433 PolarHBondContact O-N 3.03Å
430L86.3Confident82.9Confident28 Ų2875.3 Ų75.315%0.14740%0.396CS..Hα-helixtrans-69.5-36.6176.5-66.5173.6000112G426 L427 G433 F434 A448 V449 L452G426-L430 WeakPolarHBondContact O-CG 3.41Å; G426-L430 PolarHBondContact O-N 3.45Å; L427-L430 PolarHBondContact O-N 3.19Å; L430-G433 WeakPolarHBondContact O-CA 3.42Å; L430-G433 PolarHBondContact O-N 3.14Å; L430-G433 VanDerWaalsContact O-N 3.14Å; L430-F434 PolarHBondContact O-N 3.49Å; L430-A448 HydrophobicContact CD1-CB 3.72Å; L430-A448 HydrophobicContact CD2-CB 3.65Å; L430-A448 HydrophobicContact CG-CB 4.32Å; L430-V449 HydrophobicContact CB-CG2 3.78Å; L430-V449 HydrophobicContact CD1-CG2 3.88Å; L430-V449 HydrophobicContact CG-CG2 4.49Å; L430-L452 HydrophobicContact CD1-CD1 4.41Å
431G84.7Confident82.1Confident33 Ų3378 Ų7834%0.3441%0.409SS..Hα-helixtrans-62.1-41.1171.500000112.8L427 L428 G433 F434 L435L427-G431 PolarHBondContact O-N 3.38Å; L428-G431 PolarHBondContact O-N 3.27Å; G431-G433 VanDerWaalsContact C-N 3.31Å; G431-G433 PolarHBondContact O-N 3.34Å; G431-F434 PolarHBondContact O-N 3.15Å; G431-L435 WeakPolarHBondContact O-CG 3.23Å; G431-L435 PolarHBondContact O-N 2.94Å
432L87.7Confident81.7Confident105 Ų10574.2 Ų74.255%0.5539%0.393SS..Hα-helixtrans-64.9-33.7171.6-71.4170.3000112.4L428 L429 L435L428-L432 WeakPolarHBondContact O-CG 3.43Å; L428-L432 PolarHBondContact O-N 3.05Å; L429-L432 PolarHBondContact O-N 2.75Å; L432-L435 HydrophobicContact CD2-CD1 4.47Å
433G82.5Confident81.1Confident16 Ų1672.2 Ų72.217%0.16538%0.381CS..Hα-helixtrans-64.9-44.1171.600000112.8L429 L430 G431 L435 T436L429-G433 PolarHBondContact O-N 3.03Å; L430-G433 WeakPolarHBondContact O-CA 3.42Å; L430-G433 PolarHBondContact O-N 3.14Å; L430-G433 VanDerWaalsContact O-N 3.14Å; G431-G433 VanDerWaalsContact C-N 3.31Å; G431-G433 PolarHBondContact O-N 3.34Å; G433-L435 VanDerWaalsContact C-N 3.25Å; G433-L435 PolarHBondContact O-N 3.42Å; G433-T436 WeakPolarHBondContact O-CB 3.33Å; G433-T436 PolarHBondContact O-N 2.9Å; G433-T436 PolarHBondContact O-OG1 2.89Å
434F84Confident80.6Confident85 Ų8573.3 Ų73.337%0.37339%0.387SS..Hα-helixtrans-61.7-31.5177.7-171.3-91.5000113L430 G431 T436 Q442 C445 L446L430-F434 PolarHBondContact O-N 3.49Å; G431-F434 PolarHBondContact O-N 3.15Å; F434-T436 PolarHBondContact O-N 3.45Å; F434-T436 VanDerWaalsContact O-N 3.13Å; F434-Q442 HydrophobicContact CD2-CB 3.91Å; F434-Q442 HydrophobicContact CD2-CG 3.88Å; F434-Q442 HydrophobicContact CE2-CB 3.84Å; F434-Q442 HydrophobicContact CE2-CG 4.01Å; F434-Q442 HydrophobicContact CG-CG 4.27Å; F434-Q442 WeakPolarHBondContact O-CG 3.3Å; F434-Q442 PolarHBondContact O-NE2 3.48Å; F434-C445 HydrophobicContact CB-CB 4.19Å; F434-L446 HydrophobicContact CE2-CB 4.46Å; F434-L446 HydrophobicContact CE2-CD1 4.15Å
435L85Confident80.3Confident107 Ų10767.2 Ų67.256%0.5636%0.361SS*.THydrogen-bonded Turntrans-71.16.4173-69.2169.9000114.5G431 L432 G433 F437G431-L435 WeakPolarHBondContact O-CG 3.23Å; G431-L435 PolarHBondContact O-N 2.94Å; L432-L435 HydrophobicContact CD2-CD1 4.47Å; G433-L435 VanDerWaalsContact C-N 3.25Å; G433-L435 PolarHBondContact O-N 3.42Å; L435-F437 VanDerWaalsContact C-N 3.33Å; L435-F437 HydrophobicContact CD2-CZ 4.44Å; L435-F437 WeakPolarHBondContact O-CD2 3.46Å; L435-F437 WeakPolarHBondContact O-CE2 3.37Å
436T77.4Confident80.1Confident83 Ų8366.5 Ų66.551%0.50935%0.354SS..THydrogen-bonded Turntrans-80.6-11.6174.4-47.50000112.8G433 F434 H438G433-T436 WeakPolarHBondContact O-CB 3.33Å; G433-T436 PolarHBondContact O-N 2.9Å; G433-T436 PolarHBondContact O-OG1 2.89Å; F434-T436 PolarHBondContact O-N 3.45Å; F434-T436 VanDerWaalsContact O-N 3.13Å; T436-H438 PolarHBondContact O-N 3.24Å
437F75.3Confident79.9Confident155 Ų15566.8 Ų66.868%0.6835%0.351SS*.  trans55.121.2178.2-62-79.7000116.2L435L435-F437 VanDerWaalsContact C-N 3.33Å; L435-F437 HydrophobicContact CD2-CZ 4.44Å; L435-F437 WeakPolarHBondContact O-CD2 3.46Å; L435-F437 WeakPolarHBondContact O-CE2 3.37Å
438H69.7Low79.7Confident101 Ų10165.3 Ų65.347%0.46834%0.344SS..  trans-100120171.6-176.1-2.3000108.6T436 T440 M441 Q442T436-H438 PolarHBondContact O-N 3.24Å; H438-T440 PolarHBondContact O-N 3.46Å; H438-M441 HydrophobicContact CB-CB 4.2Å; H438-M441 HydrophobicContact CB-CG 4.1Å; H438-M441 WeakPolarHBondContact O-CA 3.21Å; H438-M441 WeakPolarHBondContact O-CB 3.41Å; H438-M441 PolarHBondContact O-N 3.11Å; H438-Q442 PolarHBondContact O-N 3.34Å
439P63.9Low79.7Confident41 Ų4162 Ų6227%0.26633%0.329SS..Hα-helixtrans-54.3-46.7-170.313.5-29.4000113.9M441 Q442 E443P439-M441 VanDerWaalsContact C-N 3.25Å; P439-M441 PolarHBondContact O-N 2.85Å; P439-Q442 CarbonylContact O-C 3.59Å; P439-Q442 WeakPolarHBondContact O-CA 3.49Å; P439-Q442 PolarHBondContact O-N 2.89Å; P439-E443 PolarHBondContact O-N 2.95Å
440T65.2Low79.7Confident59 Ų5957.8 Ų57.836%0.36231%0.308SS..Hα-helixtrans-58.7-33.8176.9-41.70000113.3H438 F444H438-T440 PolarHBondContact O-N 3.46Å; T440-F444 WeakPolarHBondContact O-CB 3.38Å; T440-F444 PolarHBondContact O-N 3.03Å
441M72.2Confident79.7Confident72 Ų7256.5 Ų56.536%0.35530%0.301SS..Hα-helixtrans-77.2-31.2174.9-65.3-67.8-67.300111.9H438 P439 C445H438-M441 HydrophobicContact CB-CB 4.2Å; H438-M441 HydrophobicContact CB-CG 4.1Å; H438-M441 WeakPolarHBondContact O-CA 3.21Å; H438-M441 WeakPolarHBondContact O-CB 3.41Å; H438-M441 PolarHBondContact O-N 3.11Å; P439-M441 VanDerWaalsContact C-N 3.25Å; P439-M441 PolarHBondContact O-N 2.85Å; M441-C445 VanDerWaalsContact O-CB 3.31Å; M441-C445 WeakPolarHBondContact O-CB 3.47Å; M441-C445 PolarHBondContact O-N 2.95Å; M441-C445 PolarHBondContact O-SG 3.48Å
442Q79.4Confident79.9Confident43 Ų4356.6 Ų56.620%0.20129%0.294CS..Hα-helixtrans-73.4-44176.9-72.3178.9-43.600111.7F434 H438 P439 F444 C445 L446F434-Q442 HydrophobicContact CD2-CB 3.91Å; F434-Q442 HydrophobicContact CD2-CG 3.88Å; F434-Q442 HydrophobicContact CE2-CB 3.84Å; F434-Q442 HydrophobicContact CE2-CG 4.01Å; F434-Q442 HydrophobicContact CG-CG 4.27Å; F434-Q442 WeakPolarHBondContact O-CG 3.3Å; F434-Q442 PolarHBondContact O-NE2 3.48Å; H438-Q442 PolarHBondContact O-N 3.34Å; P439-Q442 CarbonylContact O-C 3.59Å; P439-Q442 WeakPolarHBondContact O-CA 3.49Å; P439-Q442 PolarHBondContact O-N 2.89Å; Q442-F444 VanDerWaalsContact C-N 3.33Å; Q442-F444 PolarHBondContact O-N 3.25Å; Q442-C445 PolarHBondContact O-N 3.48Å; Q442-L446 WeakPolarHBondContact O-CB 3.49Å; Q442-L446 PolarHBondContact O-N 2.8Å
443E74.4Confident79.9Confident48 Ų4853.8 Ų53.822%0.22428%0.281CS..Hα-helixtrans-51.3-52.3168.2-76.4175-131.600110.5T369 P439 L446 F447T369-E443 PolarHBondContact N-OE2 2.9Å; T369-E443 PolarHBondContact OG1-OE1 3.29Å; T369-E443 PolarHBondContact OG1-OE2 3.16Å; T369-E443 VanDerWaalsContact OG1-OE2 3.09Å; P439-E443 PolarHBondContact O-N 2.95Å; E443-L446 PolarHBondContact O-N 3.05Å; E443-F447 WeakPolarHBondContact O-CB 3.4Å; E443-F447 PolarHBondContact O-N 2.97Å
444F78Confident80.3Confident71 Ų7153.2 Ų53.231%0.31127%0.274SS..Hα-helixtrans-60.5-49.3178.3178.2-86.7000112.9F376 T440 Q442 L446 A448F376-F444 HydrophobicContact CD2-CD2 4.27Å; F376-F444 AromaticContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CE2 3.74Å; F376-F444 HydrophobicContact CD2-CZ 4.22Å; T440-F444 WeakPolarHBondContact O-CB 3.38Å; T440-F444 PolarHBondContact O-N 3.03Å; Q442-F444 VanDerWaalsContact C-N 3.33Å; Q442-F444 PolarHBondContact O-N 3.25Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 3.01Å; F444-A448 VanDerWaalsContact O-CB 3.23Å; F444-A448 WeakPolarHBondContact O-CB 3.48Å; F444-A448 PolarHBondContact O-N 3.31Å
445C83.2Confident80.6Confident5 Ų549.5 Ų49.53%0.03426%0.258CS..Hα-helixtrans-67-36.8-177.2-69.80000112F434 M441 Q442 A448 V449F434-C445 HydrophobicContact CB-CB 4.19Å; M441-C445 VanDerWaalsContact O-CB 3.31Å; M441-C445 WeakPolarHBondContact O-CB 3.47Å; M441-C445 PolarHBondContact O-N 2.95Å; M441-C445 PolarHBondContact O-SG 3.48Å; Q442-C445 PolarHBondContact O-N 3.48Å; C445-A448 PolarHBondContact O-N 2.94Å; C445-V449 WeakPolarHBondContact O-CG2 3.45Å; C445-V449 PolarHBondContact O-N 3.45Å
446L82.4Confident80.8Confident59 Ų5946.3 Ų46.331%0.30924%0.24SC..Hα-helixtrans-70.2-44.2179.2-170.4146.5000111.1L365 F434 Q442 E443 F444 A448 V449 V450L365-L446 HydrophobicContact CD1-CD2 3.41Å; L365-L446 VanDerWaalsContact CD1-CD2 3.41Å; L365-L446 HydrophobicContact CD2-CD1 4.38Å; L365-L446 HydrophobicContact CD2-CD2 3.93Å; L365-L446 HydrophobicContact CG-CD2 4.28Å; F434-L446 HydrophobicContact CE2-CB 4.46Å; F434-L446 HydrophobicContact CE2-CD1 4.15Å; Q442-L446 WeakPolarHBondContact O-CB 3.49Å; Q442-L446 PolarHBondContact O-N 2.8Å; E443-L446 PolarHBondContact O-N 3.05Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 3.01Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.29Å; L446-V449 PolarHBondContact O-N 3.09Å; L446-V450 PolarHBondContact O-N 3.03Å; L446-V450 VanDerWaalsContact O-N 3.16Å
447F83Confident81.5Confident22 Ų2244.9 Ų44.910%0.09623%0.227CC..Hα-helixtrans-61.7-39.7171.9-176.1-133.3000112.1I357 F376 E443 V449 V450 G451I357-F447 HydrophobicContact CG1-CE2 3.88Å; I357-F447 HydrophobicContact CG1-CZ 3.71Å; F376-F447 HydrophobicContact CD1-CD1 4.02Å; F376-F447 AromaticContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CE1 3.44Å; F376-F447 VanDerWaalsContact CD1-CE1 3.44Å; F376-F447 HydrophobicContact CD1-CZ 4.29Å; F376-F447 HydrophobicContact CD2-CD1 4.19Å; F376-F447 HydrophobicContact CD2-CE1 4.43Å; F376-F447 AromaticContact CE1-CD1 3.63Å; F376-F447 HydrophobicContact CE1-CD1 3.63Å; F376-F447 AromaticContact CE1-CE1 3.16Å; F376-F447 HydrophobicContact CE1-CE1 3.16Å; F376-F447 AromaticContact CE1-CZ 3.77Å; F376-F447 HydrophobicContact CE1-CZ 3.77Å; F376-F447 AromaticContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CD1 3.82Å; F376-F447 HydrophobicContact CE2-CE1 4.21Å; F376-F447 HydrophobicContact CG-CD1 4.28Å; F376-F447 HydrophobicContact CG-CE1 4.08Å; F376-F447 AromaticContact CZ-CD1 3.52Å; F376-F447 HydrophobicContact CZ-CD1 3.52Å; F376-F447 AromaticContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CE1 3.59Å; F376-F447 HydrophobicContact CZ-CG 4.2Å; F376-F447 HydrophobicContact CZ-CZ 4.3Å; E443-F447 WeakPolarHBondContact O-CB 3.4Å; E443-F447 PolarHBondContact O-N 2.97Å; F447-V449 PolarHBondContact O-N 3.1Å; F447-V450 PolarHBondContact O-N 3.33Å; F447-G451 PolarHBondContact O-N 3.44Å
448A83.2Confident82.3Confident11 Ų1137.6 Ų37.69%0.09120%0.195CC..Hα-helixtrans-64.2-35.3175.300000113.3F376 L430 F444 C445 L446 L452F376-A448 HydrophobicContact CE2-CB 3.97Å; L430-A448 HydrophobicContact CD1-CB 3.72Å; L430-A448 HydrophobicContact CD2-CB 3.65Å; L430-A448 HydrophobicContact CG-CB 4.32Å; F444-A448 VanDerWaalsContact O-CB 3.23Å; F444-A448 WeakPolarHBondContact O-CB 3.48Å; F444-A448 PolarHBondContact O-N 3.31Å; C445-A448 PolarHBondContact O-N 2.94Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.29Å; A448-L452 WeakPolarHBondContact O-CB 3.39Å; A448-L452 PolarHBondContact O-N 2.69Å
449V87.3Confident83.3Confident49 Ų4932.8 Ų32.830%0.29717%0.172SC..Hα-helixtrans-65.5-45173.8165.70000110.4L427 L430 C445 L446 F447 L452 T453L427-V449 HydrophobicContact CD2-CG1 4.01Å; L427-V449 HydrophobicContact CD2-CG2 4.27Å; L430-V449 HydrophobicContact CB-CG2 3.78Å; L430-V449 HydrophobicContact CD1-CG2 3.88Å; L430-V449 HydrophobicContact CG-CG2 4.49Å; C445-V449 WeakPolarHBondContact O-CG2 3.45Å; C445-V449 PolarHBondContact O-N 3.45Å; L446-V449 PolarHBondContact O-N 3.09Å; F447-V449 PolarHBondContact O-N 3.1Å; V449-L452 PolarHBondContact O-N 2.76Å; V449-T453 WeakPolarHBondContact O-CB 3.45Å; V449-T453 WeakPolarHBondContact O-CG2 3.4Å; V449-T453 PolarHBondContact O-N 3.11Å; V449-T453 PolarHBondContact O-OG1 2.91Å
450V88Confident84.5Confident20 Ų2031.6 Ų31.612%0.12116%0.164CC..Hα-helixtrans-61.8-47.7175.4-175.20000110.6L359 L446 F447 L452 T453 T454L359-V450 HydrophobicContact CB-CG1 3.81Å; L359-V450 HydrophobicContact CD1-CG1 3.84Å; L359-V450 HydrophobicContact CG-CG1 4.5Å; L446-V450 PolarHBondContact O-N 3.03Å; L446-V450 VanDerWaalsContact O-N 3.16Å; F447-V450 PolarHBondContact O-N 3.33Å; V450-L452 PolarHBondContact O-N 3.49Å; V450-T453 WeakPolarHBondContact CA-OG1 3.39Å; V450-T453 PolarHBondContact O-N 3.08Å; V450-T453 PolarHBondContact O-OG1 3.49Å; V450-T454 HydrophobicContact CG1-CG2 4.36Å; V450-T454 WeakPolarHBondContact O-CG2 3.48Å; V450-T454 PolarHBondContact O-N 3.12Å; V450-T454 PolarHBondContact O-OG1 3.5Å
451G86.7Confident85.8Confident1 Ų131.8 Ų31.81%0.0116%0.16CC..Hα-helixtrans-60-40.4176.600000114.6F447 T454 D455F447-G451 PolarHBondContact O-N 3.44Å; G451-T454 PolarHBondContact O-OG1 3.46Å; G451-T454 VanDerWaalsContact O-OG1 3.08Å; G451-D455 WeakPolarHBondContact O-CB 3.47Å; G451-D455 PolarHBondContact O-N 3.02Å
452L88.5Confident86.7Confident36 Ų3629.2 Ų29.219%0.18815%0.147CC..Hα-helixtrans-73.3-28.2179.4-177141.5000112.5Y423 L427 L430 A448 V449 V450 F456Y423-L452 HydrophobicContact CD2-CD2 3.52Å; Y423-L452 HydrophobicContact CE2-CD2 3.74Å; Y423-L452 HydrophobicContact CG-CD2 4.44Å; L427-L452 HydrophobicContact CD2-CD2 3.83Å; L427-L452 HydrophobicContact CG-CD2 3.91Å; L430-L452 HydrophobicContact CD1-CD1 4.41Å; A448-L452 WeakPolarHBondContact O-CB 3.39Å; A448-L452 PolarHBondContact O-N 2.69Å; V449-L452 PolarHBondContact O-N 2.76Å; V450-L452 PolarHBondContact O-N 3.49Å; L452-F456 WeakPolarHBondContact O-CB 3.29Å; L452-F456 PolarHBondContact O-N 3.4Å
453T89.5Confident87.2Confident46 Ų4627.2 Ų27.228%0.28214%0.137SC..Hα-helixtrans-78.2-39.3174.2520000112.8Y423 L427 V449 V450 F457Y423-T453 HydrophobicContact CE2-CG2 4.11Å; L427-T453 HydrophobicContact CD2-CG2 4.22Å; V449-T453 WeakPolarHBondContact O-CB 3.45Å; V449-T453 WeakPolarHBondContact O-CG2 3.4Å; V449-T453 PolarHBondContact O-N 3.11Å; V449-T453 PolarHBondContact O-OG1 2.91Å; V450-T453 WeakPolarHBondContact CA-OG1 3.39Å; V450-T453 PolarHBondContact O-N 3.08Å; V450-T453 PolarHBondContact O-OG1 3.49Å; T453-F457 WeakPolarHBondContact O-CB 3.24Å; T453-F457 PolarHBondContact O-N 3.39Å; T453-F457 VanDerWaalsContact O-N 3.14Å
454T90.1Very high88Confident3 Ų325 Ų252%0.01813%0.127CC..Hα-helixtrans-68-40.8174.458.30000111.9S352 M355 L359 V450 G451 F457 L458S352-T454 PolarHBondContact O-OG1 3.19Å; M355-T454 HydrophobicContact CB-CG2 4.14Å; M355-T454 HydrophobicContact CE-CG2 3.89Å; M355-T454 HydrophobicContact CG-CG2 3.63Å; M355-T454 HydrophobicContact SD-CG2 3.7Å; L359-T454 HydrophobicContact CD1-CG2 3.71Å; V450-T454 HydrophobicContact CG1-CG2 4.36Å; V450-T454 WeakPolarHBondContact O-CG2 3.48Å; V450-T454 PolarHBondContact O-N 3.12Å; V450-T454 PolarHBondContact O-OG1 3.5Å; G451-T454 PolarHBondContact O-OG1 3.46Å; G451-T454 VanDerWaalsContact O-OG1 3.08Å; T454-F457 PolarHBondContact O-N 2.77Å; T454-L458 WeakPolarHBondContact O-CG 3.23Å; T454-L458 PolarHBondContact O-N 3.3Å
455D89.9Confident88.6Confident7 Ų721.7 Ų21.74%0.03711%0.113CC..Hα-helixtrans-61.1-47.8177.2-176.155.6000112.5G384 G451 F457 L458 Q459G384-D455 WeakPolarHBondContact CA-OD2 3.4Å; G451-D455 WeakPolarHBondContact O-CB 3.47Å; G451-D455 PolarHBondContact O-N 3.02Å; D455-F457 PolarHBondContact O-N 3.45Å; D455-L458 PolarHBondContact O-N 3.28Å; D455-Q459 WeakPolarHBondContact O-CB 3.23Å; D455-Q459 VanDerWaalsContact O-CG 3.27Å; D455-Q459 WeakPolarHBondContact O-CG 3.27Å; D455-Q459 PolarHBondContact O-N 3.45Å; D455-Q459 PolarHBondContact OD1-NE2 3.27Å; D455-Q459 PolarHBondContact OD2-NE2 2.95Å
456F89.9Confident89Confident40 Ų4023.3 Ų23.318%0.17512%0.121CC..Hα-helixtrans-61-42.8175.6176.1-104.2000112.6H419 Y423 L452 L460H419-F456 AromaticContact CD2-CE2 3.67Å; H419-F456 AromaticContact NE2-CD2 3.72Å; H419-F456 AromaticContact NE2-CE2 3.82Å; Y423-F456 HydrophobicContact CD1-CE1 4.49Å; Y423-F456 HydrophobicContact CD1-CZ 4.46Å; Y423-F456 HydrophobicContact CD2-CB 3.66Å; Y423-F456 AromaticContact CD2-CD1 3.92Å; Y423-F456 HydrophobicContact CD2-CD1 3.92Å; Y423-F456 AromaticContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CD2 3.86Å; Y423-F456 HydrophobicContact CD2-CE2 4.46Å; Y423-F456 AromaticContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CD2-CG 3.54Å; Y423-F456 HydrophobicContact CE1-CD1 4.49Å; Y423-F456 HydrophobicContact CE1-CE1 4.4Å; Y423-F456 HydrophobicContact CE2-CB 3.81Å; Y423-F456 AromaticContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CD1 3.74Å; Y423-F456 HydrophobicContact CE2-CE1 4.42Å; Y423-F456 AromaticContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CE2-CG 3.78Å; Y423-F456 HydrophobicContact CG-CD1 4.36Å; Y423-F456 AromaticContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CD2 3.99Å; Y423-F456 HydrophobicContact CG-CE2 4.18Å; Y423-F456 HydrophobicContact CG-CG 4.08Å; Y423-F456 HydrophobicContact CG-CZ 4.44Å; L452-F456 WeakPolarHBondContact O-CB 3.29Å; L452-F456 PolarHBondContact O-N 3.4Å; F456-L460 HydrophobicContact CD1-CD1 4.29Å; F456-L460 HydrophobicContact CD2-CD1 4.45Å; F456-L460 HydrophobicContact CE1-CD1 3.75Å; F456-L460 HydrophobicContact CE2-CD1 3.94Å; F456-L460 HydrophobicContact CZ-CD1 3.56Å; F456-L460 PolarHBondContact O-N 3.07Å
457F91.8Very high89.2Confident54 Ų5420.7 Ų20.724%0.23711%0.107CC..Hα-helixtrans-61.3-49.1175.5174.2-96.2000111.8L46 M355 T453 T454 D455 Q459 L460 F461L46-F457 HydrophobicContact CD2-CE1 3.74Å; L46-F457 HydrophobicContact CD2-CZ 3.63Å; M355-F457 HydrophobicContact CE-CD1 3.96Å; M355-F457 HydrophobicContact CE-CE1 4.33Å; T453-F457 WeakPolarHBondContact O-CB 3.24Å; T453-F457 PolarHBondContact O-N 3.39Å; T453-F457 VanDerWaalsContact O-N 3.14Å; T454-F457 PolarHBondContact O-N 2.77Å; D455-F457 PolarHBondContact O-N 3.45Å; F457-Q459 PolarHBondContact O-N 2.74Å; F457-L460 PolarHBondContact O-N 3.07Å; F457-F461 AromaticContact CD2-CD2 3.48Å; F457-F461 HydrophobicContact CD2-CD2 3.48Å; F457-F461 VanDerWaalsContact CD2-CD2 3.48Å; F457-F461 AromaticContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CG 4.44Å; F457-F461 AromaticContact CE2-CD2 3.33Å; F457-F461 HydrophobicContact CE2-CD2 3.33Å; F457-F461 AromaticContact CE2-CE2 3.53Å; F457-F461 HydrophobicContact CE2-CE2 3.53Å; F457-F461 AromaticContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CZ 4.3Å; F457-F461 HydrophobicContact CG-CD2 4.21Å; F457-F461 HydrophobicContact CZ-CB 4.34Å; F457-F461 AromaticContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CE2 4.48Å; F457-F461 HydrophobicContact CZ-CG 4.16Å; F457-F461 WeakPolarHBondContact O-CD2 3.49Å; F457-F461 PolarHBondContact O-N 3.04Å
458L91.4Very high89.5Confident1 Ų119.8 Ų19.81%0.00510%0.103CC..Hα-helixtrans-69.3-32.5-178.4-67.7-177.2000112.8V43 M47 T348 A351 M355 T454 D455 L460 F462 F463V43-L458 HydrophobicContact CG1-CD2 3.92Å; M47-L458 HydrophobicContact CE-CD1 4.02Å; M47-L458 HydrophobicContact CE-CD2 3.54Å; M47-L458 HydrophobicContact CE-CG 4.36Å; M47-L458 HydrophobicContact CG-CD2 4.27Å; T348-L458 HydrophobicContact CG2-CB 3.84Å; A351-L458 HydrophobicContact CB-CD1 3.7Å; M355-L458 HydrophobicContact SD-CD1 4.13Å; M355-L458 HydrophobicContact SD-CD2 4.37Å; M355-L458 HydrophobicContact SD-CG 4.2Å; T454-L458 WeakPolarHBondContact O-CG 3.23Å; T454-L458 PolarHBondContact O-N 3.3Å; D455-L458 PolarHBondContact O-N 3.28Å; L458-L460 PolarHBondContact O-N 3.27Å; L458-F462 HydrophobicContact CD2-CB 4.44Å; L458-F462 WeakPolarHBondContact O-CA 3.34Å; L458-F462 WeakPolarHBondContact O-CB 3.26Å; L458-F462 PolarHBondContact O-N 3.07Å; L458-F463 PolarHBondContact O-N 3.18Å
459Q91.4Very high89.7Confident0 Ų022.3 Ų22.30%012%0.117CC..Iπ-helixtrans-62.1-43.2172.9-7516721.200111.7T348 G384 N387 V388 H419 D455 F457 V464T348-Q459 HydrophobicContact CG2-CG 4.15Å; G384-Q459 PolarHBondContact O-NE2 3.19Å; N387-Q459 PolarHBondContact ND2-OE1 3.35Å; V388-Q459 HydrophobicContact CG2-CG 4.07Å; H419-Q459 PolarHBondContact CE1-OE1 3.02Å; D455-Q459 WeakPolarHBondContact O-CB 3.23Å; D455-Q459 VanDerWaalsContact O-CG 3.27Å; D455-Q459 WeakPolarHBondContact O-CG 3.27Å; D455-Q459 PolarHBondContact O-N 3.45Å; D455-Q459 PolarHBondContact OD1-NE2 3.27Å; D455-Q459 PolarHBondContact OD2-NE2 2.95Å; F457-Q459 PolarHBondContact O-N 2.74Å; Q459-V464 WeakPolarHBondContact O-CG2 2.99Å; Q459-V464 PolarHBondContact O-N 3.49Å
460L89.5Confident89.7Confident16 Ų1621.2 Ų21.28%0.08411%0.11CC..Iπ-helixtrans-73.4-40.7179.3-70.5177.2000113.9Y25 I32 L412 F456 F457 L458Y25-L460 HydrophobicContact CE1-CD2 3.81Å; I32-L460 VanDerWaalsContact CD1-O 3.24Å; I32-L460 WeakPolarHBondContact CD1-O 3.27Å; L412-L460 HydrophobicContact CD1-CD2 4.2Å; F456-L460 HydrophobicContact CD1-CD1 4.29Å; F456-L460 HydrophobicContact CD2-CD1 4.45Å; F456-L460 HydrophobicContact CE1-CD1 3.75Å; F456-L460 HydrophobicContact CE2-CD1 3.94Å; F456-L460 HydrophobicContact CZ-CD1 3.56Å; F456-L460 PolarHBondContact O-N 3.07Å; F457-L460 PolarHBondContact O-N 3.07Å; L458-L460 PolarHBondContact O-N 3.27Å
461F91.3Very high89.5Confident64 Ų6420.6 Ų20.628%0.28111%0.106SC..Iπ-helixtrans-99.4-30.4-172.4-76.3-85.3000115H28 I32 V39 V43 F457 T465H28-F461 AromaticContact NE2-CD1 3.97Å; H28-F461 AromaticContact NE2-CE1 3.46Å; H28-F461 WeakPolarHBondContact NE2-CE1 3.2Å; H28-F461 AromaticContact NE2-CE2 3.94Å; H28-F461 AromaticContact NE2-CZ 3.45Å; H28-F461 WeakPolarHBondContact NE2-CZ 3.23Å; I32-F461 HydrophobicContact CD1-CD1 4.44Å; V39-F461 WeakPolarHBondContact CG1-O 3.29Å; V43-F461 HydrophobicContact CG2-CB 3.75Å; F457-F461 AromaticContact CD2-CD2 3.48Å; F457-F461 HydrophobicContact CD2-CD2 3.48Å; F457-F461 VanDerWaalsContact CD2-CD2 3.48Å; F457-F461 AromaticContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CE2 3.71Å; F457-F461 HydrophobicContact CD2-CG 4.44Å; F457-F461 AromaticContact CE2-CD2 3.33Å; F457-F461 HydrophobicContact CE2-CD2 3.33Å; F457-F461 AromaticContact CE2-CE2 3.53Å; F457-F461 HydrophobicContact CE2-CE2 3.53Å; F457-F461 AromaticContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CG 3.97Å; F457-F461 HydrophobicContact CE2-CZ 4.3Å; F457-F461 HydrophobicContact CG-CD2 4.21Å; F457-F461 HydrophobicContact CZ-CB 4.34Å; F457-F461 AromaticContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CD2 3.95Å; F457-F461 HydrophobicContact CZ-CE2 4.48Å; F457-F461 HydrophobicContact CZ-CG 4.16Å; F457-F461 WeakPolarHBondContact O-CD2 3.49Å; F457-F461 PolarHBondContact O-N 3.04Å; F461-T465 PolarHBondContact O-OG1 3.24Å
462F91.4Very high89.3Confident17 Ų1727.9 Ų27.98%0.07513%0.133CC..Iπ-helixtrans-97.9-57.2179.8-171.5-108.4000111.2V43 M47 V347 T348 L458 T465 I466V43-F462 HydrophobicContact CG1-CB 4.04Å; V43-F462 HydrophobicContact CG1-CD2 4.06Å; V43-F462 HydrophobicContact CG1-CG 4.48Å; M47-F462 HydrophobicContact CE-CB 4.17Å; M47-F462 HydrophobicContact CE-CD1 3.99Å; M47-F462 HydrophobicContact CE-CD2 3.59Å; M47-F462 HydrophobicContact CE-CE1 4.2Å; M47-F462 HydrophobicContact CE-CE2 3.83Å; M47-F462 HydrophobicContact CE-CG 3.67Å; M47-F462 HydrophobicContact CE-CZ 4.12Å; M47-F462 HydrophobicContact SD-CE2 4.42Å; V347-F462 HydrophobicContact CB-CE1 4.47Å; V347-F462 HydrophobicContact CG1-CE1 3.85Å; V347-F462 HydrophobicContact CG1-CZ 3.98Å; T348-F462 WeakPolarHBondContact OG1-CD1 3.35Å; L458-F462 HydrophobicContact CD2-CB 4.44Å; L458-F462 WeakPolarHBondContact O-CA 3.34Å; L458-F462 WeakPolarHBondContact O-CB 3.26Å; L458-F462 PolarHBondContact O-N 3.07Å; F462-T465 PolarHBondContact O-N 3.45Å; F462-I466 HydrophobicContact CD1-CD1 3.82Å; F462-I466 HydrophobicContact CD2-CD1 4.24Å; F462-I466 HydrophobicContact CE1-CD1 3.45Å; F462-I466 VanDerWaalsContact CE1-CD1 3.45Å; F462-I466 HydrophobicContact CE2-CD1 3.9Å; F462-I466 HydrophobicContact CG-CD1 4.22Å; F462-I466 HydrophobicContact CZ-CD1 3.49Å; F462-I466 VanDerWaalsContact CZ-CD1 3.49Å; F462-I466 PolarHBondContact O-N 2.78Å
463F91Very high89Confident1 Ų134.7 Ų34.70%0.00416%0.156CC..Iπ-helixtrans-67.5-47.2-171.3-177.2-95.7000113.1L341 A345 T348 V388 L391 T392 L458 T465 I466 L467L341-F463 HydrophobicContact CD1-CE2 3.85Å; L341-F463 HydrophobicContact CD1-CZ 3.69Å; A345-F463 HydrophobicContact CB-CE2 4.29Å; T348-F463 HydrophobicContact CG2-CB 4.29Å; V388-F463 HydrophobicContact CG1-CD1 4.42Å; V388-F463 HydrophobicContact CG1-CD2 4.2Å; V388-F463 HydrophobicContact CG1-CE1 3.89Å; V388-F463 HydrophobicContact CG1-CE2 3.65Å; V388-F463 HydrophobicContact CG1-CZ 3.49Å; V388-F463 VanDerWaalsContact CG1-CZ 3.49Å; V388-F463 HydrophobicContact CG2-CD1 4.39Å; V388-F463 HydrophobicContact CG2-CD2 4.42Å; V388-F463 HydrophobicContact CG2-CG 4.3Å; L391-F463 HydrophobicContact CD2-CD1 4.38Å; T392-F463 WeakPolarHBondContact OG1-CZ 3.21Å; L458-F463 PolarHBondContact O-N 3.18Å; F463-T465 PolarHBondContact O-N 3.46Å; F463-I466 PolarHBondContact O-N 2.82Å; F463-L467 HydrophobicContact CE1-CB 4.45Å; F463-L467 HydrophobicContact CE1-CD2 4.12Å; F463-L467 WeakPolarHBondContact O-CB 3.33Å; F463-L467 PolarHBondContact O-N 3.28Å
464V91Very high88.3Confident3 Ų333.6 Ų33.62%0.01815%0.148CC..Hα-helixtrans-57.1-38.4174.9172.60000111.7I32 L391 I408 L412 Q459 L467 S468I32-V464 HydrophobicContact CG2-CG1 4.15Å; L391-V464 HydrophobicContact CD2-CG2 3.75Å; L391-V464 HydrophobicContact CG-CG2 4.48Å; I408-V464 HydrophobicContact CG2-CG1 3.74Å; L412-V464 HydrophobicContact CD1-CG2 4.41Å; L412-V464 HydrophobicContact CD2-CG1 4.4Å; Q459-V464 WeakPolarHBondContact O-CG2 2.99Å; Q459-V464 PolarHBondContact O-N 3.49Å; V464-L467 PolarHBondContact O-N 3.08Å; V464-S468 PolarHBondContact O-N 3.24Å
465T91.1Very high87.6Confident0 Ų035.8 Ų35.80%016%0.158CC..Hα-helixtrans-67.6-44.4-179.6-47.60000111.6I32 P36 V39 I40 F461 F462 F463 S468 V469I32-T465 HydrophobicContact CG2-CG2 3.93Å; I32-T465 WeakPolarHBondContact CG2-OG1 3.43Å; P36-T465 HydrophobicContact CB-CG2 3.61Å; P36-T465 WeakPolarHBondContact O-CG2 3.12Å; V39-T465 HydrophobicContact CB-CG2 4.18Å; V39-T465 HydrophobicContact CG1-CG2 4.09Å; V39-T465 WeakPolarHBondContact CG1-OG1 3.44Å; I40-T465 HydrophobicContact CD1-CG2 3.9Å; I40-T465 HydrophobicContact CG1-CG2 3.65Å; F461-T465 PolarHBondContact O-OG1 3.24Å; F462-T465 PolarHBondContact O-N 3.45Å; F463-T465 PolarHBondContact O-N 3.46Å; T465-S468 WeakPolarHBondContact O-CB 3.48Å; T465-S468 PolarHBondContact O-N 2.75Å; T465-V469 WeakPolarHBondContact O-CG2 3.27Å; T465-V469 PolarHBondContact O-N 3.4Å; T465-V469 VanDerWaalsContact O-N 3.12Å
466I89.7Confident87.1Confident40 Ų4040 Ų4021%0.20518%0.18CC..Hα-helixtrans-65-42.4174.5-66.7171.9000110.9I40 F462 F463 S468 V469 D470I40-I466 HydrophobicContact CD1-CG1 4.4Å; F462-I466 HydrophobicContact CD1-CD1 3.82Å; F462-I466 HydrophobicContact CD2-CD1 4.24Å; F462-I466 HydrophobicContact CE1-CD1 3.45Å; F462-I466 VanDerWaalsContact CE1-CD1 3.45Å; F462-I466 HydrophobicContact CE2-CD1 3.9Å; F462-I466 HydrophobicContact CG-CD1 4.22Å; F462-I466 HydrophobicContact CZ-CD1 3.49Å; F462-I466 VanDerWaalsContact CZ-CD1 3.49Å; F462-I466 PolarHBondContact O-N 2.78Å; F463-I466 PolarHBondContact O-N 2.82Å; I466-S468 VanDerWaalsContact C-N 3.29Å; I466-S468 PolarHBondContact O-N 3Å; I466-V469 PolarHBondContact O-N 3.01Å; I466-D470 PolarHBondContact O-N 3.49Å
467L88Confident86.1Confident4 Ų438.8 Ų38.82%0.02118%0.176CC..Hα-helixtrans-58.7-40175.4-179.960.9000111.6L341 V395 F463 V464 V469 I471L341-L467 HydrophobicContact CD1-CD1 4.05Å; V395-L467 HydrophobicContact CB-CD2 4.07Å; V395-L467 HydrophobicContact CG1-CD2 4.03Å; V395-L467 HydrophobicContact CG1-CG 4.4Å; V395-L467 HydrophobicContact CG2-CD2 4.07Å; F463-L467 HydrophobicContact CE1-CB 4.45Å; F463-L467 HydrophobicContact CE1-CD2 4.12Å; F463-L467 WeakPolarHBondContact O-CB 3.33Å; F463-L467 PolarHBondContact O-N 3.28Å; V464-L467 PolarHBondContact O-N 3.08Å; L467-V469 VanDerWaalsContact C-N 3.33Å; L467-V469 PolarHBondContact O-N 3.4Å; L467-I471 HydrophobicContact CD1-CD1 3.81Å; L467-I471 HydrophobicContact CD1-CG1 4.23Å; L467-I471 HydrophobicContact CG-CD1 3.96Å; L467-I471 WeakPolarHBondContact O-CB 3.34Å; L467-I471 WeakPolarHBondContact O-CG1 3.41Å; L467-I471 PolarHBondContact O-N 3.42Å
468S88.6Confident85Confident2 Ų240 Ų401%0.01419%0.185CC..Hα-helixtrans-65.2-32.4173.4-173.80000113.6S33 V464 T465 I466 R472S33-S468 WeakPolarHBondContact CB-OG 3.07Å; S33-S468 PolarHBondContact OG-OG 3.41Å; V464-S468 PolarHBondContact O-N 3.24Å; T465-S468 WeakPolarHBondContact O-CB 3.48Å; T465-S468 PolarHBondContact O-N 2.75Å; I466-S468 VanDerWaalsContact C-N 3.29Å; I466-S468 PolarHBondContact O-N 3Å; S468-R472 VanDerWaalsContact O-CB 3.28Å; S468-R472 WeakPolarHBondContact O-CB 3.31Å; S468-R472 PolarHBondContact O-N 2.88Å
469V87.9Confident83.9Confident64 Ų6444.4 Ų44.439%0.38821%0.209SC..Hα-helixtrans-76.9-41.9177.5171.90000110.9P36 I40 T465 I466 L467 R472 R473P36-V469 HydrophobicContact CB-CG2 3.71Å; P36-V469 HydrophobicContact CG-CG2 4.15Å; I40-V469 HydrophobicContact CD1-CG2 4.45Å; T465-V469 WeakPolarHBondContact O-CG2 3.27Å; T465-V469 PolarHBondContact O-N 3.4Å; T465-V469 VanDerWaalsContact O-N 3.12Å; I466-V469 PolarHBondContact O-N 3.01Å; L467-V469 VanDerWaalsContact C-N 3.33Å; L467-V469 PolarHBondContact O-N 3.4Å; V469-R472 PolarHBondContact O-N 3.46Å; V469-R473 WeakPolarHBondContact O-CB 3.35Å; V469-R473 PolarHBondContact O-N 2.89Å
470D86.6Confident82.5Confident27 Ų2750.6 Ų50.614%0.14424%0.239CC..Hα-helixtrans-66.5-43.5179.8-165.639.2000111.6V335 I466 R473 M474V335-D470 VanDerWaalsContact CG1-OD2 3.23Å; V335-D470 WeakPolarHBondContact CG1-OD2 3.46Å; I466-D470 PolarHBondContact O-N 3.49Å; D470-R473 PolarHBondContact O-N 3Å; D470-M474 PolarHBondContact O-N 2.78Å
471I84.2Confident81.1Confident6 Ų655.6 Ų55.63%0.03127%0.265CS..Hα-helixtrans-60.3-47.5172.4-72.4170.5000111.1V395 V404 I408 L467 R473 M474 E475V395-I471 HydrophobicContact CG1-CD1 3.53Å; V404-I471 HydrophobicContact CG1-CG2 4.04Å; V404-I471 HydrophobicContact CG2-CG2 4.35Å; I408-I471 HydrophobicContact CD1-CD1 3.9Å; L467-I471 HydrophobicContact CD1-CD1 3.81Å; L467-I471 HydrophobicContact CD1-CG1 4.23Å; L467-I471 HydrophobicContact CG-CD1 3.96Å; L467-I471 WeakPolarHBondContact O-CB 3.34Å; L467-I471 WeakPolarHBondContact O-CG1 3.41Å; L467-I471 PolarHBondContact O-N 3.42Å; I471-R473 VanDerWaalsContact C-N 3.28Å; I471-R473 PolarHBondContact O-N 3.09Å; I471-M474 WeakPolarHBondContact O-CB 3.48Å; I471-M474 PolarHBondContact O-N 3.14Å; I471-M474 VanDerWaalsContact O-N 3.13Å; I471-E475 PolarHBondContact O-N 3.48Å
472R83.5Confident79.5Confident154 Ų15459.5 Ų59.558%0.58128%0.284SS*.Hα-helixtrans-63.3-33178-173.7175.8176.5-170.8-3.4112.6V404 S468 V469 L476V404-R472 HydrophobicContact CG1-CB 4.3Å; V404-R472 HydrophobicContact CG2-CB 4.06Å; V404-R472 HydrophobicContact CG2-CG 4.33Å; S468-R472 VanDerWaalsContact O-CB 3.28Å; S468-R472 WeakPolarHBondContact O-CB 3.31Å; S468-R472 PolarHBondContact O-N 2.88Å; V469-R472 PolarHBondContact O-N 3.46Å; R472-L476 WeakPolarHBondContact O-CB 3.46Å; R472-L476 PolarHBondContact O-N 3.45Å; R472-L476 VanDerWaalsContact O-N 3.13Å
473R81.9Confident77.5Confident180 Ų18067.8 Ų67.868%0.67932%0.316SS*.Hα-helixtrans-73.9-29.6175.2-172.2178.3-175.6-176.73.3112.5V469 D470 I471 S477V469-R473 WeakPolarHBondContact O-CB 3.35Å; V469-R473 PolarHBondContact O-N 2.89Å; D470-R473 PolarHBondContact O-N 3Å; I471-R473 VanDerWaalsContact C-N 3.28Å; I471-R473 PolarHBondContact O-N 3.09Å; R473-S477 VanDerWaalsContact O-CB 3.23Å; R473-S477 WeakPolarHBondContact O-CB 3.33Å; R473-S477 PolarHBondContact O-N 2.88Å; R473-S477 VanDerWaalsContact O-N 3.07Å; R473-S477 PolarHBondContact O-OG 2.79Å
474M74.7Confident74.9Confident22 Ų2271.3 Ų71.311%0.10834%0.339CS..Hα-helixtrans-71.1-52172.4-174.317571.400111M334 K336 D470 I471 L476 S477 D478M334-M474 HydrophobicContact CB-CE 4.18Å; M334-M474 WeakPolarHBondContact O-CE 3.21Å; M334-M474 VanDerWaalsContact O-SD 3.35Å; K336-M474 HydrophobicContact CB-CG 4.38Å; D470-M474 PolarHBondContact O-N 2.78Å; I471-M474 WeakPolarHBondContact O-CB 3.48Å; I471-M474 PolarHBondContact O-N 3.14Å; I471-M474 VanDerWaalsContact O-N 3.13Å; M474-L476 VanDerWaalsContact C-N 3.33Å; M474-L476 PolarHBondContact O-N 3.26Å; M474-S477 WeakPolarHBondContact O-CA 3.25Å; M474-S477 WeakPolarHBondContact O-CB 3Å; M474-S477 PolarHBondContact O-N 3.47Å; M474-D478 VanDerWaalsContact O-CG 3.29Å; M474-D478 PolarHBondContact O-N 3.02Å
475E75.5Confident72.4Confident50 Ų5077.7 Ų77.723%0.23438%0.378CS..Hα-helixtrans-56.7-45.4176.9-70.9174.2-161.200111.9V404 R407 I471 S477 D478 L479V404-E475 WeakPolarHBondContact CG2-OE2 3.37Å; R407-E475 IonicContact CZ-OE1 3.75Å; R407-E475 IonicContact NH1-OE1 2.66Å; R407-E475 PolarHBondContact NH1-OE1 3.03Å; I471-E475 PolarHBondContact O-N 3.48Å; E475-S477 VanDerWaalsContact C-N 3.27Å; E475-S477 PolarHBondContact O-N 2.9Å; E475-D478 PolarHBondContact O-N 2.78Å; E475-L479 WeakPolarHBondContact O-CB 3.3Å; E475-L479 VanDerWaalsContact O-CG 3.3Å; E475-L479 WeakPolarHBondContact O-CG 3.33Å; E475-L479 PolarHBondContact O-N 3.32Å
476L78Confident69.8Low96 Ų9686.8 Ų86.850%0.50342%0.42SS..Hα-helixtrans-64-30.7174.3-175.363.2000113R472 M474 M480R472-L476 WeakPolarHBondContact O-CB 3.46Å; R472-L476 PolarHBondContact O-N 3.45Å; R472-L476 VanDerWaalsContact O-N 3.13Å; M474-L476 VanDerWaalsContact C-N 3.33Å; M474-L476 PolarHBondContact O-N 3.26Å; L476-M480 HydrophobicContact CD1-CE 4.19Å; L476-M480 HydrophobicContact CD2-CE 4.38Å; L476-M480 HydrophobicContact CG-CE 4.14Å; L476-M480 HydrophobicContact CG-SD 4.4Å; L476-M480 WeakPolarHBondContact O-CB 3.33Å; L476-M480 VanDerWaalsContact O-CG 3.22Å; L476-M480 WeakPolarHBondContact O-CG 3.23Å; L476-M480 PolarHBondContact O-N 3.28Å
477S69.7Low67.4Low13 Ų1389 Ų899%0.09144%0.44CS..Hα-helixtrans-71.3-38.6176.5-77.10000113.2K336 R473 M474 E475 M480 L481K336-S477 VanDerWaalsContact CD-OG 3.29Å; K336-S477 WeakPolarHBondContact CD-OG 3.27Å; K336-S477 PolarHBondContact NZ-OG 3.34Å; R473-S477 VanDerWaalsContact O-CB 3.23Å; R473-S477 WeakPolarHBondContact O-CB 3.33Å; R473-S477 PolarHBondContact O-N 2.88Å; R473-S477 VanDerWaalsContact O-N 3.07Å; R473-S477 PolarHBondContact O-OG 2.79Å; M474-S477 WeakPolarHBondContact O-CA 3.25Å; M474-S477 WeakPolarHBondContact O-CB 3Å; M474-S477 PolarHBondContact O-N 3.47Å; E475-S477 VanDerWaalsContact C-N 3.27Å; E475-S477 PolarHBondContact O-N 2.9Å; S477-M480 PolarHBondContact O-N 3.49Å; S477-L481 WeakPolarHBondContact O-CG 3.38Å; S477-L481 PolarHBondContact O-N 3.37Å; S477-L481 VanDerWaalsContact O-N 3.07Å
478D69.3Low64.7Low80 Ų8098.2 Ų98.243%0.42848%0.479SS..Hα-helixtrans-75.5-41.1-176.8-59.3-23.7000108.7M474 E475 M480 L481 E482M474-D478 VanDerWaalsContact O-CG 3.29Å; M474-D478 PolarHBondContact O-N 3.02Å; E475-D478 PolarHBondContact O-N 2.78Å; D478-M480 VanDerWaalsContact C-N 3.32Å; D478-M480 PolarHBondContact O-N 3.38Å; D478-L481 CarbonylContact O-C 3.6Å; D478-L481 WeakPolarHBondContact O-CA 3.47Å; D478-L481 PolarHBondContact O-N 3.16Å; D478-E482 PolarHBondContact O-N 3.39Å
479L67.3Low61.9Low94 Ų94107.2 Ų107.249%0.49252%0.524SS..Hα-helixtrans-56.3-41.2166.3-69.4168.9000112.7E475 L481 E482 Y483E475-L479 WeakPolarHBondContact O-CB 3.3Å; E475-L479 VanDerWaalsContact O-CG 3.3Å; E475-L479 WeakPolarHBondContact O-CG 3.33Å; E475-L479 PolarHBondContact O-N 3.32Å; L479-L481 VanDerWaalsContact C-N 3.27Å; L479-L481 PolarHBondContact O-N 3.15Å; L479-E482 PolarHBondContact O-N 2.74Å; L479-Y483 WeakPolarHBondContact O-CD2 3.21Å; L479-Y483 PolarHBondContact O-N 2.69Å
480M62.9Low59.2Low129 Ų129113.5 Ų113.564%0.63555%0.549SS*.Hα-helixtrans-69.4-20.3175-79.8178.4174.300114L476 S477 D478L476-M480 HydrophobicContact CD1-CE 4.19Å; L476-M480 HydrophobicContact CD2-CE 4.38Å; L476-M480 HydrophobicContact CG-CE 4.14Å; L476-M480 HydrophobicContact CG-SD 4.4Å; L476-M480 WeakPolarHBondContact O-CB 3.33Å; L476-M480 VanDerWaalsContact O-CG 3.22Å; L476-M480 WeakPolarHBondContact O-CG 3.23Å; L476-M480 PolarHBondContact O-N 3.28Å; S477-M480 PolarHBondContact O-N 3.49Å; D478-M480 VanDerWaalsContact C-N 3.32Å; D478-M480 PolarHBondContact O-N 3.38Å
481L60.1Low56.4Low121 Ų121120.7 Ų120.763%0.63458%0.581SS**Hα-helixtrans-88.8-17.4173.9-74.7168.8000112.8S477 D478 L479 P484S477-L481 WeakPolarHBondContact O-CG 3.38Å; S477-L481 PolarHBondContact O-N 3.37Å; S477-L481 VanDerWaalsContact O-N 3.07Å; D478-L481 CarbonylContact O-C 3.6Å; D478-L481 WeakPolarHBondContact O-CA 3.47Å; D478-L481 PolarHBondContact O-N 3.16Å; L479-L481 VanDerWaalsContact C-N 3.27Å; L479-L481 PolarHBondContact O-N 3.15Å; L481-P484 VanDerWaalsContact O-CD 3.22Å; L481-P484 WeakPolarHBondContact O-CD 3.44Å
482E57.9Low53.8Low146 Ų146125.8 Ų125.868%0.68262%0.615SS**Hα-helixtrans-87.9-9.9176.2-159.5158-137.600112.8D478 L479D478-E482 PolarHBondContact O-N 3.39Å; L479-E482 PolarHBondContact O-N 2.74Å
483Y48.3Very low51.1Low191 Ų191126.5 Ų126.575%0.74963%0.625SS**SBendtrans-106.11.6-177.7-91.4-91.3000119.8L479L479-Y483 WeakPolarHBondContact O-CD2 3.21Å; L479-Y483 PolarHBondContact O-N 2.69Å
484P36.3Very low48.7Very low75 Ų75125.1 Ų125.149%0.48763%0.628SS.*SBendtrans-88.3155.3162.334.9-28000111.5L481L481-P484 VanDerWaalsContact O-CD 3.22Å; L481-P484 WeakPolarHBondContact O-CD 3.44Å
485V39Very low46.5Very low138 Ų138131.4 Ų131.484%0.83666%0.661SS**SBendtrans80.55.9173.7-163.90000116.9
486H37.6Very low44.6Very low191 Ų191134.1 Ų134.188%0.88468%0.682SS**SBendtrans-113.26.3169.1-93.5-58.7000116.5
487S37.4Very low42.5Very low87 Ų87134.3 Ų134.361%0.60869%0.69SS**SBendtrans-112.94.4-175.648.50000115.8
488F32.1Very low40.6Very low196 Ų196141.8 Ų141.886%0.8672%0.721SS**SBendtrans-140.739.7-172-84.9-77000114.8
489M30.9Very low38.7Very low192 Ų192147.8 Ų147.895%0.94674%0.739SS**SBendtrans-138.5132.4162.4-79.5-164.2170.700112.8
490Q30.1Very low36.9Very low196 Ų196147.5 Ų147.592%0.91675%0.745SS**  trans78.973.3167.1-152.5142.216.300118.5
491E28.8Very low35.3Very low177 Ų177150 Ų15083%0.82775%0.752SS**  trans-57.6174.6145.6-107.3-175.3116.900112.9
492P29Very low34.1Very low114 Ų114149.2 Ų149.274%0.7475%0.753SS**SBendtrans-76.1177.4-166.332.1-37.8000115.9
493Q26.5Very low33.1Very low168 Ų168147.1 Ų147.179%0.78575%0.754SS**SBendtrans-11.2129.9170.1-60.7178.9-3.500119.1
494M30.6Very low32.5Very low152 Ų152143.5 Ų143.575%0.74975%0.754SS**  trans65.1105.2148.2-64-170-115.400120.6
495I29.8Very low32.2Very low154 Ų154148 Ų14879%0.7977%0.773SS**  78145.4127-66.3168.2000116.8
496P35.6Very low32.1Very low106 Ų106146.9 Ų146.969%0.68877%0.771SS**  trans-102.4-157.3-165.644.2-33.7000110.9
497P34.1Very low31.8Very low101 Ų101142.8 Ų142.866%0.65676%0.764SS**  cis-142.1-162.92.524.25.4000116.5
498F29.1Very low31.6Very low170 Ų170143.8 Ų143.875%0.74677%0.769SS**  trans89.4111.1161.5-71.4-90.2000122.2
499Y29.7Very low31.9Very low206 Ų206140.4 Ų140.481%0.80876%0.764SS**  32.6145.4113.5-65.3-72.4000120.1
500S28.6Very low32Very low87 Ų87136.2 Ų136.261%0.60875%0.751SS**  cis179-166.117.635.90000113.3
501F30.4Very low31.8Very low182 Ų182134.4 Ų134.480%0.79875%0.747SS**  trans77.7141.2170.5-69.3-107.5000117.7
502T34.5Very low31.7Very low105 Ų105130.2 Ų130.264%0.64474%0.737SS**  cis-159.5139.3-11.713.50000108.9
503S36.5Very low31.6Very low102 Ų102129.4 Ų129.471%0.71374%0.735SS**  6314074.71110000115.1
504P35.2Very low31.7Very low114 Ų114126 Ų12674%0.7473%0.729SS**  -130150.254.510.216000115.8
505L30.7Very low31.6Very low171 Ų171125.6 Ų125.690%0.89573%0.729SS**  78132.891.6-151.771.1000113.4
506S37.4Very low31.5Very low113 Ų113124.2 Ų124.279%0.7972%0.724SS**  cis-141.8168.529.554.60000116.1
507S30.3Very low31Very low105 Ų105126.2 Ų126.273%0.73473%0.725SS**  trans-121.4-173.5167.770.30000108.8
508P34.7Very low30.5Very low109 Ų109128.2 Ų128.271%0.70873%0.728SS**  cis-138-160.247.742-19.9000112.3
509T36.6Very low30.5Very low124 Ų124127.6 Ų127.676%0.76173%0.729SS**  cis-150.3162.111.4-50000109.8
510P33.2Very low30.2Very low105 Ų105123.7 Ų123.768%0.68272%0.722SS**  trans-106.6-149-171.843.3-35.2000113.2
511L25.7Very low30Very low157 Ų157127.5 Ų127.582%0.82273%0.73SS**  trans82.6141.4177-62129.4000114.9
512S28.1Very low29.8Very low90 Ų90124.6 Ų124.663%0.62973%0.733SS**  cis-162.1143.5-847.60000112.5
513S27.3Very low29.2Very low97 Ų97124.4 Ų124.468%0.67874%0.736SS**  trans47.9168.9138.669.40000122
514S28.6Very low28.6Very low95 Ų95125.5 Ų125.566%0.66474%0.742SS**  trans63133.7147.649.20000119.3
515L28.7Very low28Very low145 Ų145128.1 Ų128.176%0.75974%0.742SS**  cis-151.1141.1-6.9-144.485.2000109.3
516D26.6Very low27.7Very low125 Ų125127.1 Ų127.167%0.66874%0.736SS**  trans21.3131.3134.3-55.5-22.1000120.6
517M25.4Very low27Very low147 Ų147130.6 Ų130.672%0.72474%0.739SS**  74.3145.7118.8-175.3172.170.500120.2
518M24Very low26.6Very low144 Ų144133.6 Ų133.671%0.70974%0.739SS**  trans65.1151166.5-75.8163-172.200115.9
519M28.5Very low26.1Very low156 Ų156135.2 Ų135.277%0.76875%0.75SS**  cis-131.5150.9-16.1-103.5166.4-66.900106.5
520N23.6Very low25.4Very low125 Ų125132.5 Ų132.567%0.66874%0.736SS**  47.4135.177.7-126.851.5000113.9
521E24.8Very low24.9Very low166 Ų166133 Ų13378%0.77674%0.741SS**  trans40115.5154.4-62.4174.2131.900117.8
522S25.5Very low24.8Very low122 Ų122133.1 Ų133.185%0.85374%0.742SS**  173.5-159.863.754.90000112.5
523S22.5Very low24.6Very low101 Ų101135 Ų13571%0.70675%0.745SS**  trans-80.5127.7-168.9-620000115.4
524C23.3Very low24.5Very low124 Ų124136.1 Ų136.184%0.83875%0.747SS**  trans-143.9122.7137.1-85.30000106.6
525K21.9Very low24.3Very low170 Ų170140.1 Ų140.174%0.73976%0.755SS**  cis67.5116.511.6-145.5-171.1-174.8-174.80113.5
526I24.6Very low24.2Very low150 Ų150142 Ų14277%0.76976%0.763SS**  trans73.1138.1177.8-53.9149.1000109.3
527E23.9Very low24.2Very low186 Ų186140.9 Ų140.987%0.86976%0.764SS**  cis-110.2155.626.3-71.8175.6142.500117.3
528K22Very low24.2Very low168 Ų168140.7 Ų140.773%0.7377%0.767SS**  trans-99.8143.3152.6-45.3164.1179.9172.10107.1S530K528-S530 VanDerWaalsContact CD-OG 3.3Å; K528-S530 WeakPolarHBondContact CD-OG 3.4Å; K528-S530 PolarHBondContact O-N 3.31Å
529P22.9Very low24.4Very low143 Ų143142.5 Ų142.593%0.92977%0.77SS**  trans-85.270.9147.334-30.1000108.6
530S22.6Very low24.4Very low67 Ų67143.9 Ų143.947%0.46977%0.767SS.*  trans-92.6131.8165.555.60000109K528K528-S530 VanDerWaalsContact CD-OG 3.3Å; K528-S530 WeakPolarHBondContact CD-OG 3.4Å; K528-S530 PolarHBondContact O-N 3.31Å
531S23.2Very low24.6Very low114 Ų114145.1 Ų145.180%0.79777%0.769SS**  trans54.684.4176.961.30000116.4
532L22.7Very low24.8Very low161 Ų161143.8 Ų143.884%0.84377%0.772SS**  -141.4111.1121.4-88.8171.7000105.4
533L23.3Very low24.9Very low130 Ų130145.6 Ų145.668%0.68177%0.767SS**  76.490.996.3-153155.5000109.2
534T25.2Very low25.3Very low120 Ų120148.1 Ų148.174%0.73677%0.771SS**  68.7136.796.5-41.30000111.9
535E25.7Very low25.6Very low178 Ų178146.2 Ų146.283%0.83276%0.759SS**  trans78.1164.5-172-49.3-171.790.900115.3
536M25.9Very low26.7Very low186 Ų186142 Ų14292%0.91675%0.745SS**  trans68.249.6-167.9-57.1-82-81.600115.1
537S27.5Very low27.2Very low100 Ų100142.1 Ų142.170%0.69974%0.74SS**  69.6103.870.9-162.30000115.8
538N25.7Very low27.8Very low144 Ų144140.3 Ų140.377%0.7773%0.726SS**  trans56.9100.9148.1-67.4-48.9000121.6
539K28Very low28.9Very low181 Ų181137.5 Ų137.579%0.78772%0.718SS**  -169.6109.8106.1-103.5163.8-175.5170.60115
540R28.4Very low29.8Very low185 Ų185133.7 Ų133.770%0.69870%0.699SS**  trans60.1112144.9-60-176-171.1167.62.5120.3F668R540-F668 VanDerWaalsContact NH2-CZ 3.33Å
541E26.9Very low30.9Very low151 Ų151138.9 Ų138.971%0.70671%0.71SS**  trans-60.1168.3146.2-52.1161.7108.900110.5
542T28.9Very low32.2Very low138 Ų138138.1 Ų138.185%0.84770%0.695SS**  -137.3144.980.539.90000114.2
543Q27.1Very low33.7Very low161 Ų161135.6 Ų135.675%0.75268%0.682SS**  trans-80.1138.5171.1-56.5175.36.700111
544I32.1Very low35.1Very low153 Ų153132.1 Ų132.179%0.78567%0.669SS**  trans-127.3108.1154.1-62.7-176.5000108.1N546I544-N546 PolarHBondContact O-N 3.11Å; I544-N546 VanDerWaalsContact O-N 3.07Å
545S29.8Very low36.5Very low84 Ų84133 Ų13359%0.58766%0.663SS**  trans-80.790.9-168.568.20000112.9K547S545-K547 PolarHBondContact O-N 3.47Å
546N43.9Very low37.9Very low81 Ų81129.6 Ų129.643%0.43365%0.649SS.*  trans-73.963.9174.6-103.1-35.6000112.6I544 Y548 L549I544-N546 PolarHBondContact O-N 3.11Å; I544-N546 VanDerWaalsContact O-N 3.07Å; N546-Y548 PolarHBondContact O-N 2.8Å; N546-L549 PolarHBondContact O-N 3.32Å
547K35.1Very low39.2Very low153 Ų153123.8 Ų123.867%0.66563%0.627SS**Hα-helixtrans-50.9-30.9174.6-70.7-178.5179.91760112.1S545 L549 A550 Y551S545-K547 PolarHBondContact O-N 3.47Å; K547-L549 PolarHBondContact O-N 2.65Å; K547-A550 PolarHBondContact O-N 3.15Å; K547-Y551 WeakPolarHBondContact O-CB 3.46Å; K547-Y551 PolarHBondContact O-N 2.89Å
548Y37.8Very low40.5Very low149 Ų149123 Ų12358%0.58462%0.615SS**Hα-helixtrans-61.1-38.2174.9-80.1-83.3000114.4N546 Y551 I552N546-Y548 PolarHBondContact O-N 2.8Å; Y548-Y551 WeakPolarHBondContact O-CB 3.48Å; Y548-Y551 PolarHBondContact O-N 3Å; Y548-I552 VanDerWaalsContact O-CG1 3.3Å; Y548-I552 WeakPolarHBondContact O-CG1 3.12Å; Y548-I552 PolarHBondContact O-N 3.14Å
549L44.7Very low41.5Very low108 Ų108120.4 Ų120.457%0.56560%0.6SS**Hα-helixtrans-72.3-39.2-179.2-158.8156000110.3N546 K547 Y551 I552 L553N546-L549 PolarHBondContact O-N 3.32Å; K547-L549 PolarHBondContact O-N 2.65Å; L549-Y551 VanDerWaalsContact C-N 3.34Å; L549-I552 PolarHBondContact O-N 3Å; L549-L553 HydrophobicContact CD2-CD1 3.65Å; L549-L553 HydrophobicContact CD2-CG 4.18Å; L549-L553 WeakPolarHBondContact O-CG 3.39Å; L549-L553 PolarHBondContact O-N 2.87Å
550A42.2Very low42.6Very low64 Ų64114.8 Ų114.853%0.52958%0.584SS.*Hα-helixtrans-61.9-39.9168.100000112K547 S554K547-A550 PolarHBondContact O-N 3.15Å; A550-S554 WeakPolarHBondContact O-CB 3.45Å; A550-S554 PolarHBondContact O-N 3.3Å
551Y45.9Very low43.6Very low176 Ų176111.6 Ų111.669%0.6958%0.575SS**Hα-helixtrans-64.8-41.6175.7-118.6-92.4000112.7K547 Y548 L549 S554 F555K547-Y551 WeakPolarHBondContact O-CB 3.46Å; K547-Y551 PolarHBondContact O-N 2.89Å; Y548-Y551 WeakPolarHBondContact O-CB 3.48Å; Y548-Y551 PolarHBondContact O-N 3Å; L549-Y551 VanDerWaalsContact C-N 3.34Å; Y551-S554 CarbonylContact O-C 3.59Å; Y551-S554 PolarHBondContact O-N 3.39Å; Y551-F555 VanDerWaalsContact O-CB 3.25Å; Y551-F555 WeakPolarHBondContact O-CB 3.39Å; Y551-F555 PolarHBondContact O-N 2.92Å
552I50.5Low44.7Very low97 Ų97111.4 Ų111.450%0.49758%0.576SS.*Hα-helixtrans-69.4-44.4179.3-70.1164.1000110.7Y548 L549 S554 F555 I556Y548-I552 VanDerWaalsContact O-CG1 3.3Å; Y548-I552 WeakPolarHBondContact O-CG1 3.12Å; Y548-I552 PolarHBondContact O-N 3.14Å; L549-I552 PolarHBondContact O-N 3Å; I552-S554 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.82Å; I552-F555 PolarHBondContact O-N 3.49Å; I552-I556 HydrophobicContact CG2-CD1 3.82Å; I552-I556 WeakPolarHBondContact O-CB 3.31Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.2Å; I552-I556 PolarHBondContact O-N 3.26Å
553L52.3Low45.7Very low109 Ų109110.6 Ų110.657%0.57157%0.566SS**Hα-helixtrans-64-39.3173.1-71.7176.2000111.8L549 S557L549-L553 HydrophobicContact CD2-CD1 3.65Å; L549-L553 HydrophobicContact CD2-CG 4.18Å; L549-L553 WeakPolarHBondContact O-CG 3.39Å; L549-L553 PolarHBondContact O-N 2.87Å; L553-S557 WeakPolarHBondContact O-CB 3.2Å; L553-S557 PolarHBondContact O-N 3.22Å
554S54.5Low46.8Very low56 Ų56108.8 Ų108.839%0.39256%0.556SS.*Hα-helixtrans-63.2-40.5172.8-178.90000112A550 Y551 I552 S557 N558A550-S554 WeakPolarHBondContact O-CB 3.45Å; A550-S554 PolarHBondContact O-N 3.3Å; Y551-S554 CarbonylContact O-C 3.59Å; Y551-S554 PolarHBondContact O-N 3.39Å; I552-S554 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.82Å; S554-S557 PolarHBondContact O-N 2.94Å; S554-N558 WeakPolarHBondContact O-CB 3.27Å; S554-N558 PolarHBondContact O-N 3.44Å; S554-N558 PolarHBondContact O-ND2 3.29Å; S554-N558 PolarHBondContact OG-ND2 2.9Å; S554-N558 VanDerWaalsContact OG-ND2 3.15Å
555F54.3Low47.1Very low140 Ų140107.6 Ų107.661%0.61455%0.545SS*.Hα-helixtrans-71.6-43-179.9-167.4-95.1000111.8Y551 I552 N558 L559Y551-F555 VanDerWaalsContact O-CB 3.25Å; Y551-F555 WeakPolarHBondContact O-CB 3.39Å; Y551-F555 PolarHBondContact O-N 2.92Å; I552-F555 PolarHBondContact O-N 3.49Å; F555-N558 PolarHBondContact O-N 2.86Å; F555-L559 HydrophobicContact CE1-CD2 4.33Å; F555-L559 WeakPolarHBondContact O-CB 3.35Å; F555-L559 PolarHBondContact O-N 2.78Å
556I54Low47.8Very low105 Ų105107 Ų10754%0.53854%0.539SS..Hα-helixtrans-63.7-42.7173.6-66.8167.6000110.4I552 S560I552-I556 HydrophobicContact CG2-CD1 3.82Å; I552-I556 WeakPolarHBondContact O-CB 3.31Å; I552-I556 VanDerWaalsContact O-CG1 3.31Å; I552-I556 WeakPolarHBondContact O-CG1 3.2Å; I552-I556 PolarHBondContact O-N 3.26Å; I556-S560 VanDerWaalsContact O-CB 3.26Å; I556-S560 WeakPolarHBondContact O-CB 3.45Å; I556-S560 PolarHBondContact O-N 3.36Å
557S54.6Low48Very low64 Ų64107.1 Ų107.145%0.44854%0.543SS..Hα-helixtrans-59.3-51.3173.5-179.10000111.5L553 S554 S560 F561L553-S557 WeakPolarHBondContact O-CB 3.2Å; L553-S557 PolarHBondContact O-N 3.22Å; S554-S557 PolarHBondContact O-N 2.94Å; S557-S560 WeakPolarHBondContact O-CB 3.27Å; S557-S560 PolarHBondContact O-N 2.81Å; S557-F561 WeakPolarHBondContact O-CB 3.26Å; S557-F561 PolarHBondContact O-N 2.56Å
558N53.5Low48.1Very low85 Ų85106.5 Ų106.546%0.45554%0.54SS..Hα-helixtrans-71.3-34.1-177.1-80.7-58.2000113.6S554 F555 F561 M562S554-N558 WeakPolarHBondContact O-CB 3.27Å; S554-N558 PolarHBondContact O-N 3.44Å; S554-N558 PolarHBondContact O-ND2 3.29Å; S554-N558 PolarHBondContact OG-ND2 2.9Å; S554-N558 VanDerWaalsContact OG-ND2 3.15Å; F555-N558 PolarHBondContact O-N 2.86Å; N558-F561 CarbonylContact O-C 3.59Å; N558-F561 PolarHBondContact O-N 3.25Å; N558-M562 WeakPolarHBondContact O-CB 3.48Å; N558-M562 PolarHBondContact O-N 2.64Å
559L46.8Very low48.2Very low89 Ų89102.2 Ų102.247%0.46654%0.536SS..Hα-helixtrans-68.6-41.3174.6-172.264.2000110.7F555 M562 L563F555-L559 HydrophobicContact CE1-CD2 4.33Å; F555-L559 WeakPolarHBondContact O-CB 3.35Å; F555-L559 PolarHBondContact O-N 2.78Å; L559-M562 PolarHBondContact O-N 2.62Å; L559-L563 HydrophobicContact CG-CD1 4.3Å; L559-L563 WeakPolarHBondContact O-CB 3.47Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 3.15Å
560S50.6Low48.2Very low62 Ų62103.3 Ų103.343%0.43454%0.54SS..Hα-helixtrans-60.1-44.9168-175.10000111.1I556 S557 M562 L563 F564I556-S560 VanDerWaalsContact O-CB 3.26Å; I556-S560 WeakPolarHBondContact O-CB 3.45Å; I556-S560 PolarHBondContact O-N 3.36Å; S557-S560 WeakPolarHBondContact O-CB 3.27Å; S557-S560 PolarHBondContact O-N 2.81Å; S560-M562 PolarHBondContact O-N 3.01Å; S560-L563 PolarHBondContact O-N 2.95Å; S560-F564 WeakPolarHBondContact O-CB 3.48Å; S560-F564 WeakPolarHBondContact O-CD2 3.45Å; S560-F564 PolarHBondContact O-N 3.12Å
561F50.9Low48Very low119 Ų119108.3 Ų108.352%0.52255%0.551SS.*Hα-helixtrans-65-35.4178.1-124.6-80.5000113.2S557 N558 K565S557-F561 WeakPolarHBondContact O-CB 3.26Å; S557-F561 PolarHBondContact O-N 2.56Å; N558-F561 CarbonylContact O-C 3.59Å; N558-F561 PolarHBondContact O-N 3.25Å; F561-K565 HydrophobicContact CD1-CD 3.98Å; F561-K565 HydrophobicContact CD1-CG 4.01Å; F561-K565 HydrophobicContact CE1-CG 4.49Å; F561-K565 WeakPolarHBondContact O-CA 3.32Å; F561-K565 WeakPolarHBondContact O-CB 3.4Å; F561-K565 WeakPolarHBondContact O-CG 3.41Å; F561-K565 PolarHBondContact O-N 3.04Å
562M49.7Very low47.5Very low147 Ų147109.8 Ų109.872%0.72456%0.555SS**Hα-helixtrans-68.9-51175-95.6-163.7166.100111.4N558 L559 S560 F564 K565 P566N558-M562 WeakPolarHBondContact O-CB 3.48Å; N558-M562 PolarHBondContact O-N 2.64Å; L559-M562 PolarHBondContact O-N 2.62Å; S560-M562 PolarHBondContact O-N 3.01Å; M562-F564 VanDerWaalsContact C-N 3.34Å; M562-F564 PolarHBondContact O-N 3.47Å; M562-K565 PolarHBondContact O-N 3.29Å; M562-P566 WeakPolarHBondContact O-CD 3.26Å
563L48.5Very low46.9Very low120 Ų120116.5 Ų116.563%0.62857%0.574SS**Hα-helixtrans-64.6-37.3-178.6-70.4168.9000112L559 S560L559-L563 HydrophobicContact CG-CD1 4.3Å; L559-L563 WeakPolarHBondContact O-CB 3.47Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 3.15Å; S560-L563 PolarHBondContact O-N 2.95Å
564F51Low46.2Very low123 Ų123117 Ų11754%0.53958%0.581SS.*Hα-helixtrans-87.1-18.4178.1-77.9-80.7000115S560 M562 V567 K568S560-F564 WeakPolarHBondContact O-CB 3.48Å; S560-F564 WeakPolarHBondContact O-CD2 3.45Å; S560-F564 PolarHBondContact O-N 3.12Å; M562-F564 VanDerWaalsContact C-N 3.34Å; M562-F564 PolarHBondContact O-N 3.47Å; F564-V567 PolarHBondContact O-N 3.06Å; F564-K568 WeakPolarHBondContact O-CB 3.44Å; F564-K568 PolarHBondContact O-N 3.13Å
565K38.2Very low44.9Very low128 Ų128125.3 Ų125.356%0.55760%0.604SS**Hα-helixtrans-54.9-51.5178.8-106.4169.3173.11690114.2F561 M562 V567 K568 A569F561-K565 HydrophobicContact CD1-CD 3.98Å; F561-K565 HydrophobicContact CD1-CG 4.01Å; F561-K565 HydrophobicContact CE1-CG 4.49Å; F561-K565 WeakPolarHBondContact O-CA 3.32Å; F561-K565 WeakPolarHBondContact O-CB 3.4Å; F561-K565 WeakPolarHBondContact O-CG 3.41Å; F561-K565 PolarHBondContact O-N 3.04Å; M562-K565 PolarHBondContact O-N 3.29Å; K565-V567 VanDerWaalsContact C-N 3.33Å; K565-V567 PolarHBondContact O-N 2.96Å; K565-K568 PolarHBondContact O-N 2.98Å; K565-A569 VanDerWaalsContact O-CB 3.25Å; K565-A569 WeakPolarHBondContact O-CB 3.28Å; K565-A569 PolarHBondContact O-N 2.93Å
566P45.8Very low43.8Very low73 Ų73126.5 Ų126.547%0.47462%0.616SS.*Hα-helixtrans-64.7-39-179.724.2-32000111.5M562 A569 I570M562-P566 WeakPolarHBondContact O-CD 3.26Å; P566-A569 PolarHBondContact O-N 3.17Å; P566-I570 VanDerWaalsContact O-CG1 3.32Å; P566-I570 WeakPolarHBondContact O-CG1 3.38Å; P566-I570 PolarHBondContact O-N 2.94Å
567V47Very low42.6Very low83 Ų83126.2 Ų126.250%0.50362%0.624SS.*Hα-helixtrans-64.2-46.7177.5-173.50000111.3F564 K565 A569 F571F564-V567 PolarHBondContact O-N 3.06Å; K565-V567 VanDerWaalsContact C-N 3.33Å; K565-V567 PolarHBondContact O-N 2.96Å; V567-A569 PolarHBondContact O-N 2.83Å; V567-F571 PolarHBondContact O-N 2.9Å; V567-F571 VanDerWaalsContact O-N 3.1Å
568K37.2Very low41.4Very low139 Ų139132.3 Ų132.360%0.60464%0.642SS**Hα-helixtrans-67.9-30175.1-97.9172.6173.9167.40113.2F564 K565 R572F564-K568 WeakPolarHBondContact O-CB 3.44Å; F564-K568 PolarHBondContact O-N 3.13Å; K565-K568 PolarHBondContact O-N 2.98Å; K568-R572 VanDerWaalsContact O-CB 3.31Å; K568-R572 WeakPolarHBondContact O-CB 3.5Å; K568-R572 WeakPolarHBondContact O-CG 3.42Å; K568-R572 PolarHBondContact O-N 2.68Å
569A40Very low40.4Very low60 Ų60135.8 Ų135.850%0.49666%0.658SS.*Hα-helixtrans-71.2-45.8176.700000111.6K565 P566 V567 F571 R572 R573K565-A569 VanDerWaalsContact O-CB 3.25Å; K565-A569 WeakPolarHBondContact O-CB 3.28Å; K565-A569 PolarHBondContact O-N 2.93Å; P566-A569 PolarHBondContact O-N 3.17Å; V567-A569 PolarHBondContact O-N 2.83Å; A569-F571 VanDerWaalsContact C-N 3.28Å; A569-F571 PolarHBondContact O-N 3.46Å; A569-R572 PolarHBondContact O-N 2.82Å; A569-R572 VanDerWaalsContact O-N 3.07Å; A569-R573 PolarHBondContact O-N 3.16Å
570I44.5Very low39.4Very low130 Ų130141.1 Ų141.167%0.66768%0.677SS**Hα-helixtrans-59.9-40.1174-68.6166.6000110.5P566 R572P566-I570 VanDerWaalsContact O-CG1 3.32Å; P566-I570 WeakPolarHBondContact O-CG1 3.38Å; P566-I570 PolarHBondContact O-N 2.94Å; I570-R572 PolarHBondContact O-N 2.92Å
571F37.8Very low38.4Very low170 Ų170141.6 Ų141.675%0.74669%0.692SS**Hα-helixtrans-74.6-14.8175-115.2-89.5000115.4V567 A569V567-F571 PolarHBondContact O-N 2.9Å; V567-F571 VanDerWaalsContact O-N 3.1Å; A569-F571 VanDerWaalsContact C-N 3.28Å; A569-F571 PolarHBondContact O-N 3.46Å
572R36Very low37.6Very low206 Ų206145.1 Ų145.178%0.77771%0.71SS**Hα-helixtrans-91.6-18.4179.2-88.2-178.1169.4-170-3.3114.1K568 A569 I570 T574K568-R572 VanDerWaalsContact O-CB 3.31Å; K568-R572 WeakPolarHBondContact O-CB 3.5Å; K568-R572 WeakPolarHBondContact O-CG 3.42Å; K568-R572 PolarHBondContact O-N 2.68Å; A569-R572 PolarHBondContact O-N 2.82Å; A569-R572 VanDerWaalsContact O-N 3.07Å; I570-R572 PolarHBondContact O-N 2.92Å; R572-T574 VanDerWaalsContact C-N 3.3Å; R572-T574 PolarHBondContact O-N 2.76Å
573R38.4Very low36.7Very low239 Ų239149.1 Ų149.190%0.90272%0.717SS**SBendtrans-80.9-2.8178.5-112.2177.6-179.9166.30.6114.7A569A569-R573 PolarHBondContact O-N 3.16Å
574T37Very low36.2Very low118 Ų118154.6 Ų154.672%0.72473%0.729SS**  trans-11552.8179.840.70000112.3R572R572-T574 VanDerWaalsContact C-N 3.3Å; R572-T574 PolarHBondContact O-N 2.76Å
575R26.9Very low35.7Very low232 Ų232156.1 Ų156.188%0.87574%0.743SS**  trans-107.689.8-179.2-167.8-174.3-166.2-163.43.8111.7
576L31.7Very low36.2Very low164 Ų164154.6 Ų154.686%0.85974%0.744SS**  trans-139.9135.8165.4-140.876.2000111
577S28.6Very low36.5Very low100 Ų100154.1 Ų154.170%0.69974%0.742SS**  trans-2116.1170.155.10000119.5
578F30Very low36.9Very low191 Ų191154.1 Ų154.184%0.83875%0.751SS**  -162.4123.1118.4-130.2-95.4000111.7
579M31.3Very low38.1Very low159 Ų159150.7 Ų150.778%0.78375%0.749SS**  trans-108.1163.8165.1-79-176.669.100109.3
580K26.9Very low39.1Very low200 Ų200153.7 Ų153.787%0.8775%0.753SS**  trans52.490.9167.4-63.9-179.5178.6-178.30115.1
581G29.2Very low39.8Very low72 Ų72149.7 Ų149.774%0.74273%0.734SS**  trans-149.3139.6168.900000111
582H34.4Very low40.8Very low193 Ų193144.4 Ų144.489%0.89472%0.722SS**  trans-51.2143.9-169.9-109.640.1000115.5R584H582-R584 PolarHBondContact O-N 2.81Å
583R30.6Very low42.2Very low232 Ų232137.5 Ų137.588%0.87571%0.709SS**  trans-65.4129.3163.5-74.7-179.2175.3171.3-2.5109.7
584R37.5Very low43.2Very low234 Ų234129.2 Ų129.288%0.88368%0.678SS**  trans-131.1122.4150.5-80.9-174.3172161-1.6107.7H582 V586H582-R584 PolarHBondContact O-N 2.81Å; R584-V586 PolarHBondContact O-N 3.35Å
585N41Very low44.2Very low155 Ų155127.2 Ų127.283%0.82966%0.662SS**  trans-78.6110.9-179.4-65.3-10000108.6
586V48.6Very low45.8Very low97 Ų97120.1 Ų120.159%0.58865%0.654SS**  trans-86130173.1176.20000108.4R584 Q590R584-V586 PolarHBondContact O-N 3.35Å; V586-Q590 HydrophobicContact CG1-CB 4.12Å
587S52.8Low47.3Very low62 Ų62115.7 Ų115.743%0.43464%0.636SS.*  trans-67.7147.7-176.9174.50000112.3A589 Q590 T591S587-A589 PolarHBondContact O-N 3.26Å; S587-A589 PolarHBondContact OG-N 2.84Å; S587-A589 VanDerWaalsContact OG-N 3.16Å; S587-Q590 PolarHBondContact O-N 2.73Å; S587-T591 PolarHBondContact O-N 2.95Å; S587-T591 VanDerWaalsContact O-N 3.11Å; S587-T591 PolarHBondContact O-OG1 3.43Å; S587-T591 VanDerWaalsContact O-OG1 3.05Å
588A54.1Low48.2Very low83 Ų83116.3 Ų116.369%0.68663%0.632SS**Hα-helixtrans-56.5-34.7169.600000111.6T591 A592A588-T591 WeakPolarHBondContact O-CB 3.26Å; A588-T591 PolarHBondContact O-N 3.02Å; A588-A592 PolarHBondContact O-N 2.78Å
589A62.6Low48.8Very low68 Ų68110.3 Ų110.356%0.56262%0.624SS**Hα-helixtrans-64.3-43.9176.500000112.6S587 T591 A592 A593S587-A589 PolarHBondContact O-N 3.26Å; S587-A589 PolarHBondContact OG-N 2.84Å; S587-A589 VanDerWaalsContact OG-N 3.16Å; A589-T591 VanDerWaalsContact C-N 3.26Å; A589-T591 PolarHBondContact O-N 3.06Å; A589-A592 PolarHBondContact O-N 3.46Å; A589-A593 WeakPolarHBondContact O-CB 3.29Å; A589-A593 PolarHBondContact O-N 2.8Å
590Q62Low49.5Very low123 Ų123112 Ų11258%0.57563%0.63SS**Hα-helixtrans-63.4-34.9174.6-71.4174.4-28.500111.6V586 S587 Y594V586-Q590 HydrophobicContact CG1-CB 4.12Å; S587-Q590 PolarHBondContact O-N 2.73Å; Q590-Y594 PolarHBondContact O-N 3.13Å
591T57.3Low49.9Very low46 Ų46109.3 Ų109.328%0.28263%0.63SS.*Hα-helixtrans-67.8-41.9176.2-53.80000111.6S587 A588 A589 L595 L609S587-T591 PolarHBondContact O-N 2.95Å; S587-T591 VanDerWaalsContact O-N 3.11Å; S587-T591 PolarHBondContact O-OG1 3.43Å; S587-T591 VanDerWaalsContact O-OG1 3.05Å; A588-T591 WeakPolarHBondContact O-CB 3.26Å; A588-T591 PolarHBondContact O-N 3.02Å; A589-T591 VanDerWaalsContact C-N 3.26Å; A589-T591 PolarHBondContact O-N 3.06Å; T591-L595 WeakPolarHBondContact O-CG 3.38Å; T591-L595 PolarHBondContact O-N 3.47Å; T591-L609 HydrophobicContact CG2-CD2 4.29Å
592A60Low50.5Low58 Ų58110.6 Ų110.648%0.47963%0.628SS.*Hα-helixtrans-67.2-45.417600000112.3A588 A589 Y594 L595 A596A588-A592 PolarHBondContact O-N 2.78Å; A589-A592 PolarHBondContact O-N 3.46Å; A592-Y594 VanDerWaalsContact C-N 3.32Å; A592-Y594 PolarHBondContact O-N 3.09Å; A592-L595 PolarHBondContact O-N 3.18Å; A592-A596 PolarHBondContact O-N 3.1Å
593A65.6Low51.2Low61 Ų61109.9 Ų109.950%0.50463%0.625SS.*Hα-helixtrans-58.1-41.4178.600000112.5A589 L595 A596 S597A589-A593 WeakPolarHBondContact O-CB 3.29Å; A589-A593 PolarHBondContact O-N 2.8Å; A593-L595 VanDerWaalsContact C-N 3.31Å; A593-L595 PolarHBondContact O-N 2.72Å; A593-A596 PolarHBondContact O-N 2.93Å; A593-S597 PolarHBondContact O-N 3.49Å
594Y59.7Low52.3Low66 Ų66106.2 Ų106.226%0.25962%0.622SS.*Hα-helixtrans-67.5-28176.4-179-97.4000113.9Q590 A592 V605 L609 R613Q590-Y594 PolarHBondContact O-N 3.13Å; A592-Y594 VanDerWaalsContact C-N 3.32Å; A592-Y594 PolarHBondContact O-N 3.09Å; Y594-V605 HydrophobicContact CD2-CG2 4.45Å; Y594-V605 HydrophobicContact CE1-CG1 4.1Å; Y594-V605 HydrophobicContact CE2-CB 4.45Å; Y594-V605 HydrophobicContact CE2-CG1 4.05Å; Y594-V605 HydrophobicContact CE2-CG2 3.79Å; Y594-L609 HydrophobicContact CD1-CB 4.45Å; Y594-L609 HydrophobicContact CD1-CD2 3.98Å; Y594-L609 HydrophobicContact CE1-CB 4.16Å; Y594-L609 HydrophobicContact CE1-CD2 4.46Å; Y594-R613 PolarHBondContact O-NH1 3.31Å
595L56.4Low53.2Low75 Ų7596.5 Ų96.539%0.39359%0.589SS.*Hα-helixtrans-77.4-27.8174.4-71.2168.4000112.4T591 A592 A593 R613T591-L595 WeakPolarHBondContact O-CG 3.38Å; T591-L595 PolarHBondContact O-N 3.47Å; A592-L595 PolarHBondContact O-N 3.18Å; A593-L595 VanDerWaalsContact C-N 3.31Å; A593-L595 PolarHBondContact O-N 2.72Å; L595-R613 HydrophobicContact CD2-CB 4.45Å
596A62.2Low54.6Low84 Ų8493.1 Ų93.169%0.69458%0.576SS**Hα-helixtrans-85.4-25.617900000114.4A592 A593 D598A592-A596 PolarHBondContact O-N 3.1Å; A593-A596 PolarHBondContact O-N 2.93Å; A596-D598 PolarHBondContact O-N 3.31Å
597S62.6Low55Low70 Ų7098.3 Ų98.349%0.4959%0.585SS.*  trans-77.2101.5-177.9177.60000112.6A593 R613A593-S597 PolarHBondContact O-N 3.49Å; S597-R613 VanDerWaalsContact O-CZ 3.28Å; S597-R613 PolarHBondContact O-NH1 2.96Å; S597-R613 PolarHBondContact O-NH2 2.99Å
598D48.2Very low55.2Low113 Ų113106.3 Ų106.360%0.60461%0.605SS**  trans-87.9122163.5-94.6-16.7000110.1A596 R613 K617A596-D598 PolarHBondContact O-N 3.31Å; D598-R613 IonicContact OD1-CZ 3.89Å; D598-R613 IonicContact OD1-NH2 2.72Å; D598-R613 PolarHBondContact OD1-NH2 3.22Å; D598-K617 VanDerWaalsContact CG-NZ 3.32Å; D598-K617 IonicContact OD1-NZ 2.85Å; D598-K617 PolarHBondContact OD1-NZ 3.44Å; D598-K617 IonicContact OD2-NZ 2.93Å; D598-K617 PolarHBondContact OD2-NZ 3.45Å
599G42.3Very low55.6Low65 Ų65104.2 Ų104.267%0.6758%0.582SS**SBendtrans10169.9166.400000118.5
600Q44.8Very low55.7Low195 Ų195107.5 Ų107.591%0.91158%0.58SS**  trans177.9154.1133.7-99.217620.100111.4
601T36.6Very low55.7Low143 Ų143106.4 Ų106.488%0.87758%0.582SS**  trans-102.186.3-170.249.20000113.6
602S41.9Very low55.9Low99 Ų99108.5 Ų108.569%0.69259%0.591SS**  trans-82.6134.9166.31790000111.3N604S602-N604 PolarHBondContact O-N 3.37Å
603Q47.2Very low55.9Low179 Ų179108.5 Ų108.584%0.83658%0.578SS**SBendtrans-76.8-18.8-162.2-68.9-176.5-15.200115.6V605Q603-V605 PolarHBondContact O-N 3.39Å
604N55Low55.5Low154 Ų154109.9 Ų109.982%0.82458%0.584SS**  trans-95.626.8-162.8-72.6-26.6000116.4S602S602-N604 PolarHBondContact O-N 3.37Å
605V56.5Low55.5Low30 Ų30115.4 Ų115.418%0.18260%0.604CS.*  trans-96.5125.1-176.8-173.20000113Y594 Q603 L609 R610Y594-V605 HydrophobicContact CD2-CG2 4.45Å; Y594-V605 HydrophobicContact CE1-CG1 4.1Å; Y594-V605 HydrophobicContact CE2-CB 4.45Å; Y594-V605 HydrophobicContact CE2-CG1 4.05Å; Y594-V605 HydrophobicContact CE2-CG2 3.79Å; Q603-V605 PolarHBondContact O-N 3.39Å; V605-L609 HydrophobicContact CG1-CB 3.93Å; V605-L609 HydrophobicContact CG1-CD1 4.33Å; V605-R610 PolarHBondContact O-NH2 3.13Å
606P69.9Low55.6Low84 Ų84115.6 Ų115.655%0.54562%0.617SS.*  trans-66.6145.2-175.826.5-35.3000113.2R608 L609P606-R608 PolarHBondContact O-N 2.99Å; P606-L609 HydrophobicContact CG-CD1 4.28Å; P606-L609 PolarHBondContact O-N 2.87Å
607R58Low55.2Low207 Ų207118.1 Ų118.178%0.78161%0.612SS**Hα-helixtrans-53.9-31.7-170.7-66.2-177.1-179.9179.1-0.4114.5L609 R610 V611R607-L609 VanDerWaalsContact C-N 3.34Å; R607-L609 PolarHBondContact O-N 2.81Å; R607-R610 PolarHBondContact O-N 2.8Å; R607-V611 PolarHBondContact O-N 3.34Å; R607-V611 VanDerWaalsContact O-N 3.08Å
608R56.6Low54.8Low229 Ų229116.3 Ų116.386%0.86460%0.599SS**Hα-helixtrans-58.5-39.9177.9-68.3-175.6178.7-178.1-0.1113P606 V611 L612P606-R608 PolarHBondContact O-N 2.99Å; R608-V611 PolarHBondContact O-N 3.03Å; R608-L612 PolarHBondContact O-N 2.76Å
609L62.6Low55.2Low39 Ų39120.4 Ų120.420%0.20461%0.606CS.*Hα-helixtrans-71.8-31.9178.7-91.2157.3000112.7T591 Y594 V605 P606 R607 L612 R613T591-L609 HydrophobicContact CG2-CD2 4.29Å; Y594-L609 HydrophobicContact CD1-CB 4.45Å; Y594-L609 HydrophobicContact CD1-CD2 3.98Å; Y594-L609 HydrophobicContact CE1-CB 4.16Å; Y594-L609 HydrophobicContact CE1-CD2 4.46Å; V605-L609 HydrophobicContact CG1-CB 3.93Å; V605-L609 HydrophobicContact CG1-CD1 4.33Å; P606-L609 HydrophobicContact CG-CD1 4.28Å; P606-L609 PolarHBondContact O-N 2.87Å; R607-L609 VanDerWaalsContact C-N 3.34Å; R607-L609 PolarHBondContact O-N 2.81Å; L609-L612 PolarHBondContact O-N 3.31Å; L609-R613 WeakPolarHBondContact O-CB 3.4Å; L609-R613 PolarHBondContact O-N 3.18Å
610R64.3Low56Low138 Ų138123.5 Ų123.552%0.52161%0.607SS.*Hα-helixtrans-66.1-41.4170.7-86-178.2-90179.8-12.6112.2V605 R607 R613 C614V605-R610 PolarHBondContact O-NH2 3.13Å; R607-R610 PolarHBondContact O-N 2.8Å; R610-R613 PolarHBondContact O-N 2.71Å; R610-C614 WeakPolarHBondContact O-CB 3.49Å; R610-C614 PolarHBondContact O-N 2.93Å
611V62.8Low56.8Low99 Ų99118 Ų11860%0.658%0.583SS**Hα-helixtrans-62.1-44.7173.5176.20000110.8R607 R608 R613 C614 W615R607-V611 PolarHBondContact O-N 3.34Å; R607-V611 VanDerWaalsContact O-N 3.08Å; R608-V611 PolarHBondContact O-N 3.03Å; V611-R613 PolarHBondContact O-N 2.97Å; V611-C614 PolarHBondContact O-N 3.26Å; V611-W615 PolarHBondContact O-N 2.87Å
612L60.9Low57.8Low91 Ų91118 Ų11848%0.47657%0.573SS.*Hα-helixtrans-61.1-44.3178.5-14378.9000112.4R608 L609 C614 W615 A616R608-L612 PolarHBondContact O-N 2.76Å; L609-L612 PolarHBondContact O-N 3.31Å; L612-C614 VanDerWaalsContact C-N 3.35Å; L612-C614 PolarHBondContact O-N 2.85Å; L612-W615 PolarHBondContact O-N 3.09Å; L612-A616 WeakPolarHBondContact O-CB 3.1Å; L612-A616 PolarHBondContact O-N 3.33Å
613R59.1Low58.9Low57 Ų57122.6 Ų122.622%0.21558%0.575CS.*Hα-helixtrans-65-36.7176.2-169.1171.7-179.6157.2-1.8112.2Y594 L595 S597 D598 L609 R610 V611 K617Y594-R613 PolarHBondContact O-NH1 3.31Å; L595-R613 HydrophobicContact CD2-CB 4.45Å; S597-R613 VanDerWaalsContact O-CZ 3.28Å; S597-R613 PolarHBondContact O-NH1 2.96Å; S597-R613 PolarHBondContact O-NH2 2.99Å; D598-R613 IonicContact OD1-CZ 3.89Å; D598-R613 IonicContact OD1-NH2 2.72Å; D598-R613 PolarHBondContact OD1-NH2 3.22Å; L609-R613 WeakPolarHBondContact O-CB 3.4Å; L609-R613 PolarHBondContact O-N 3.18Å; R610-R613 PolarHBondContact O-N 2.71Å; V611-R613 PolarHBondContact O-N 2.97Å; R613-K617 PolarHBondContact O-N 3.29Å; R613-K617 VanDerWaalsContact O-N 3.13Å
614C58.8Low59.9Low91 Ų91117.6 Ų117.662%0.61556%0.557SS**Hα-helixtrans-66.8-41.1174.2-167.50000112.1R610 V611 L612 S618R610-C614 WeakPolarHBondContact O-CB 3.49Å; R610-C614 PolarHBondContact O-N 2.93Å; V611-C614 PolarHBondContact O-N 3.26Å; L612-C614 VanDerWaalsContact C-N 3.35Å; L612-C614 PolarHBondContact O-N 2.85Å; C614-S618 WeakPolarHBondContact O-CB 3.42Å; C614-S618 PolarHBondContact O-OG 2.85Å
615W58.4Low60.6Low181 Ų181114.4 Ų114.469%0.68654%0.539SS*.Hα-helixtrans-61.3-50.7176-153.266000110.3V611 L612 K617 S618V611-W615 PolarHBondContact O-N 2.87Å; L612-W615 PolarHBondContact O-N 3.09Å; W615-K617 PolarHBondContact O-N 2.97Å; W615-S618 PolarHBondContact O-N 3.22Å; W615-S618 PolarHBondContact O-OG 3.44Å
616A58.5Low61.2Low80 Ų80119.1 Ų119.166%0.66156%0.562SS**Hα-helixtrans-61.9-34.6-179.700000114.6L612 S618L612-A616 WeakPolarHBondContact O-CB 3.1Å; L612-A616 PolarHBondContact O-N 3.33Å; A616-S618 VanDerWaalsContact C-N 3.32Å; A616-S618 PolarHBondContact O-N 3.05Å
617K53.9Low61.3Low136 Ų136121.5 Ų121.559%0.59156%0.564SS**THydrogen-bonded Turntrans-84.1-1.2-177.9-140.3158.3-170.4167.70113.5D598 R613 W615 R619D598-K617 VanDerWaalsContact CG-NZ 3.32Å; D598-K617 IonicContact OD1-NZ 2.85Å; D598-K617 PolarHBondContact OD1-NZ 3.44Å; D598-K617 IonicContact OD2-NZ 2.93Å; D598-K617 PolarHBondContact OD2-NZ 3.45Å; R613-K617 PolarHBondContact O-N 3.29Å; R613-K617 VanDerWaalsContact O-N 3.13Å; W615-K617 PolarHBondContact O-N 2.97Å; K617-R619 PolarHBondContact O-N 3.1Å
618S54.7Low61.9Low32 Ų32116.3 Ų116.322%0.22455%0.551CS.*  trans-102.172.2-169.368.20000115.2C614 W615 A616 L620 I621C614-S618 WeakPolarHBondContact O-CB 3.42Å; C614-S618 PolarHBondContact O-OG 2.85Å; W615-S618 PolarHBondContact O-N 3.22Å; W615-S618 PolarHBondContact O-OG 3.44Å; A616-S618 VanDerWaalsContact C-N 3.32Å; A616-S618 PolarHBondContact O-N 3.05Å; S618-L620 PolarHBondContact O-N 2.92Å; S618-I621 PolarHBondContact O-N 3Å; S618-I621 WeakPolarHBondContact OG-CD1 2.95Å
619R57.6Low62.5Low200 Ų200110.8 Ų110.876%0.75553%0.533SS*.Hα-helixtrans-49.2-24176.6-75.4-178.4172.7169.2-2115.2K617 R623K617-R619 PolarHBondContact O-N 3.1Å; R619-R623 PolarHBondContact O-N 2.9Å
620L59.1Low62.7Low130 Ų130111.7 Ų111.768%0.68154%0.543SS*.Hα-helixtrans-67.4-38179-154.5156.2000111.9S618 Q622 R623 V624S618-L620 PolarHBondContact O-N 2.92Å; L620-Q622 PolarHBondContact O-N 2.93Å; L620-R623 PolarHBondContact O-N 2.86Å; L620-V624 HydrophobicContact CD2-CG2 3.99Å; L620-V624 PolarHBondContact O-N 2.91Å
621I60.8Low63Low80 Ų80109.2 Ų109.241%0.4154%0.54SS..Hα-helixtrans-64.5-43.7178.2-59.7-173.4000110.6S618 R623 V624 L625S618-I621 PolarHBondContact O-N 3Å; S618-I621 WeakPolarHBondContact OG-CD1 2.95Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 2.9Å; I621-V624 PolarHBondContact O-N 3.49Å; I621-L625 WeakPolarHBondContact O-CB 3.42Å; I621-L625 PolarHBondContact O-N 3.24Å
622Q57.4Low63.2Low142 Ų142111.7 Ų111.766%0.66454%0.538SS*.Hα-helixtrans-58.8-40.2175.5-75.9-178.1-47.300112.5L620 L625 L626L620-Q622 PolarHBondContact O-N 2.93Å; Q622-L625 PolarHBondContact O-N 3.34Å; Q622-L626 WeakPolarHBondContact O-CB 3.19Å; Q622-L626 PolarHBondContact O-N 3.3Å
623R64Low63.5Low196 Ų196110.9 Ų110.974%0.7454%0.537SS*.Hα-helixtrans-66.5-41.1177.2-72.3-178.5174.3-169.3-3.3112.4R619 L620 I621 L626 F627R619-R623 PolarHBondContact O-N 2.9Å; L620-R623 PolarHBondContact O-N 2.86Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 2.9Å; R623-L626 PolarHBondContact O-N 2.86Å; R623-F627 WeakPolarHBondContact O-CB 3.42Å; R623-F627 PolarHBondContact O-N 2.83Å
624V69.3Low63.9Low74 Ų74112.3 Ų112.345%0.44855%0.548SS..Hα-helixtrans-64.4-43.6174.9171.80000111.1L620 I621 L626 F627 I628L620-V624 HydrophobicContact CD2-CG2 3.99Å; L620-V624 PolarHBondContact O-N 2.91Å; I621-V624 PolarHBondContact O-N 3.49Å; V624-L626 PolarHBondContact O-N 3.11Å; V624-F627 PolarHBondContact O-N 3.04Å; V624-I628 HydrophobicContact CG1-CD1 3.83Å; V624-I628 VanDerWaalsContact O-CG1 3.31Å; V624-I628 WeakPolarHBondContact O-CG1 3.46Å; V624-I628 PolarHBondContact O-N 3.42Å
625L69Low64Low86 Ų86113 Ų11345%0.4554%0.543SS..Hα-helixtrans-63.5-40.9177.6-126.2165.4000111.8I621 Q622 I628 F629I621-L625 WeakPolarHBondContact O-CB 3.42Å; I621-L625 PolarHBondContact O-N 3.24Å; Q622-L625 PolarHBondContact O-N 3.34Å; L625-I628 PolarHBondContact O-N 2.95Å; L625-F629 HydrophobicContact CD2-CD2 3.69Å; L625-F629 HydrophobicContact CD2-CE2 3.7Å; L625-F629 PolarHBondContact O-N 3.01Å
626L69.3Low64.2Low129 Ų129107.3 Ų107.368%0.67553%0.526SS*.Hα-helixtrans-68.3-36.4176.3-168.3150000112.2Q622 R623 V624 F629 S630Q622-L626 WeakPolarHBondContact O-CB 3.19Å; Q622-L626 PolarHBondContact O-N 3.3Å; R623-L626 PolarHBondContact O-N 2.86Å; V624-L626 PolarHBondContact O-N 3.11Å; L626-F629 PolarHBondContact O-N 3.4Å; L626-S630 WeakPolarHBondContact O-CB 3.42Å; L626-S630 PolarHBondContact O-N 3.42Å
627F71.6Confident64.2Low135 Ų135108.7 Ų108.759%0.59252%0.521SS*.Hα-helixtrans-65.9-42.6172.7-176.2-103000112.1R623 V624 S630 L631R623-F627 WeakPolarHBondContact O-CB 3.42Å; R623-F627 PolarHBondContact O-N 2.83Å; V624-F627 PolarHBondContact O-N 3.04Å; F627-S630 PolarHBondContact O-N 2.96Å; F627-L631 HydrophobicContact CD1-CD1 4Å; F627-L631 HydrophobicContact CE1-CD1 3.49Å; F627-L631 VanDerWaalsContact CE1-CD1 3.49Å; F627-L631 HydrophobicContact CE1-CG 4.22Å; F627-L631 HydrophobicContact CZ-CD1 3.97Å; F627-L631 HydrophobicContact CZ-CG 4.34Å; F627-L631 PolarHBondContact O-N 3.23Å
628I71.4Confident64.3Low97 Ų97108.2 Ų108.250%0.49752%0.523SS..Hα-helixtrans-62.6-43.3173.6-69166.4000110.8V624 L625 S630 L631 W632V624-I628 HydrophobicContact CG1-CD1 3.83Å; V624-I628 VanDerWaalsContact O-CG1 3.31Å; V624-I628 WeakPolarHBondContact O-CG1 3.46Å; V624-I628 PolarHBondContact O-N 3.42Å; L625-I628 PolarHBondContact O-N 2.95Å; I628-S630 VanDerWaalsContact C-N 3.34Å; I628-S630 PolarHBondContact O-N 2.73Å; I628-L631 PolarHBondContact O-N 3.02Å; I628-W632 VanDerWaalsContact O-CB 3.29Å; I628-W632 WeakPolarHBondContact O-CB 3.31Å; I628-W632 PolarHBondContact O-N 3.46Å
629F68.8Low64.1Low113 Ų113111.1 Ų111.150%0.49653%0.533SS..Hα-helixtrans-63.6-37.2173.7-99.5-76.7000112.6L625 L626 W632 V633L625-F629 HydrophobicContact CD2-CD2 3.69Å; L625-F629 HydrophobicContact CD2-CE2 3.7Å; L625-F629 PolarHBondContact O-N 3.01Å; L626-F629 PolarHBondContact O-N 3.4Å; F629-W632 AromaticContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CZ3 4.31Å; F629-W632 AromaticContact CE1-CE3 3.83Å; F629-W632 HydrophobicContact CE1-CE3 3.83Å; F629-W632 AromaticContact CE1-CZ3 3.87Å; F629-W632 HydrophobicContact CE1-CZ3 3.87Å; F629-W632 PolarHBondContact O-N 3.25Å; F629-V633 WeakPolarHBondContact O-CB 3.47Å; F629-V633 VanDerWaalsContact O-CG2 3.31Å; F629-V633 WeakPolarHBondContact O-CG2 3.2Å; F629-V633 PolarHBondContact O-N 2.84Å
630S67.6Low63.9Low58 Ų58103.2 Ų103.241%0.40651%0.51SS..Hα-helixtrans-65.1-46.5175.6-1760000111.5L626 F627 I628 W632 V633 I634L626-S630 WeakPolarHBondContact O-CB 3.42Å; L626-S630 PolarHBondContact O-N 3.42Å; F627-S630 PolarHBondContact O-N 2.96Å; I628-S630 VanDerWaalsContact C-N 3.34Å; I628-S630 PolarHBondContact O-N 2.73Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.38Å; S630-V633 PolarHBondContact O-N 2.57Å; S630-I634 VanDerWaalsContact O-CG1 3.28Å; S630-I634 WeakPolarHBondContact O-CG1 3.44Å; S630-I634 PolarHBondContact O-N 2.8Å
631L70.4Confident63.5Low86 Ų86102 Ų10245%0.4551%0.508SS..Hα-helixtrans-61.1-38.5172.1-74.9175.8000112.3F627 I628 I634 M635F627-L631 HydrophobicContact CD1-CD1 4Å; F627-L631 HydrophobicContact CE1-CD1 3.49Å; F627-L631 VanDerWaalsContact CE1-CD1 3.49Å; F627-L631 HydrophobicContact CE1-CG 4.22Å; F627-L631 HydrophobicContact CZ-CD1 3.97Å; F627-L631 HydrophobicContact CZ-CG 4.34Å; F627-L631 PolarHBondContact O-N 3.23Å; I628-L631 PolarHBondContact O-N 3.02Å; L631-I634 PolarHBondContact O-N 3.03Å; L631-M635 VanDerWaalsContact O-CB 3.31Å; L631-M635 WeakPolarHBondContact O-CB 3.05Å; L631-M635 WeakPolarHBondContact O-CG 3.38Å; L631-M635 PolarHBondContact O-N 3.25Å
632W67.1Low62.9Low152 Ų152102.5 Ų102.558%0.57651%0.512SS*.Hα-helixtrans-68.1-38.3177.2-169.964.9000112.3I628 F629 S630 M635 I636I628-W632 VanDerWaalsContact O-CB 3.29Å; I628-W632 WeakPolarHBondContact O-CB 3.31Å; I628-W632 PolarHBondContact O-N 3.46Å; F629-W632 AromaticContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CE3 3.86Å; F629-W632 HydrophobicContact CD1-CZ3 4.31Å; F629-W632 AromaticContact CE1-CE3 3.83Å; F629-W632 HydrophobicContact CE1-CE3 3.83Å; F629-W632 AromaticContact CE1-CZ3 3.87Å; F629-W632 HydrophobicContact CE1-CZ3 3.87Å; F629-W632 PolarHBondContact O-N 3.25Å; S630-W632 VanDerWaalsContact C-N 3.31Å; S630-W632 PolarHBondContact O-N 3.38Å; W632-M635 PolarHBondContact O-N 2.93Å; W632-I636 HydrophobicContact CD2-CD1 3.61Å; W632-I636 VanDerWaalsContact CE2-CD1 3.46Å; W632-I636 HydrophobicContact CE3-CD1 3.82Å; W632-I636 HydrophobicContact CG-CD1 4.27Å; W632-I636 HydrophobicContact CH2-CD1 3.8Å; W632-I636 HydrophobicContact CZ2-CD1 3.58Å; W632-I636 HydrophobicContact CZ3-CD1 3.9Å; W632-I636 VanDerWaalsContact O-CB 3.29Å; W632-I636 WeakPolarHBondContact O-CB 3.44Å; W632-I636 VanDerWaalsContact O-CG1 3.27Å; W632-I636 WeakPolarHBondContact O-CG1 3.42Å; W632-I636 PolarHBondContact O-N 2.86Å
633V66.6Low62.6Low73 Ų7398.9 Ų98.944%0.44250%0.496SS..Hα-helixtrans-69.5-38.9173.41690000111.5F629 S630 I636 L637F629-V633 WeakPolarHBondContact O-CB 3.47Å; F629-V633 VanDerWaalsContact O-CG2 3.31Å; F629-V633 WeakPolarHBondContact O-CG2 3.2Å; F629-V633 PolarHBondContact O-N 2.84Å; S630-V633 PolarHBondContact O-N 2.57Å; V633-I636 CarbonylContact O-C 3.56Å; V633-I636 PolarHBondContact O-N 3.06Å; V633-L637 HydrophobicContact CG1-CD1 4.01Å; V633-L637 WeakPolarHBondContact O-CB 3.4Å; V633-L637 WeakPolarHBondContact O-CG 3.29Å; V633-L637 PolarHBondContact O-N 3.31Å
634I68.6Low62Low88 Ų8894.4 Ų94.445%0.45149%0.49SS..Hα-helixtrans-64.1-45.8172.9-69163.9000110.3S630 L631 I636 L637 M638S630-I634 VanDerWaalsContact O-CG1 3.28Å; S630-I634 WeakPolarHBondContact O-CG1 3.44Å; S630-I634 PolarHBondContact O-N 2.8Å; L631-I634 PolarHBondContact O-N 3.03Å; I634-I636 VanDerWaalsContact C-N 3.32Å; I634-I636 PolarHBondContact O-N 2.59Å; I634-L637 PolarHBondContact O-N 3.42Å; I634-L637 VanDerWaalsContact O-N 3.15Å; I634-M638 HydrophobicContact CG2-CG 4.45Å; I634-M638 VanDerWaalsContact O-CG 3.31Å; I634-M638 WeakPolarHBondContact O-CG 3.42Å; I634-M638 PolarHBondContact O-N 3.42Å
635M60.6Low61Low104 Ų10495 Ų9551%0.51249%0.488SS..Hα-helixtrans-62.2-38.8175-73.4-97.262.500111.8L631 W632 H639L631-M635 VanDerWaalsContact O-CB 3.31Å; L631-M635 WeakPolarHBondContact O-CB 3.05Å; L631-M635 WeakPolarHBondContact O-CG 3.38Å; L631-M635 PolarHBondContact O-N 3.25Å; W632-M635 PolarHBondContact O-N 2.93Å; M635-H639 VanDerWaalsContact O-CB 3.25Å; M635-H639 WeakPolarHBondContact O-CB 3.14Å; M635-H639 PolarHBondContact O-N 2.87Å
636I62.3Low60Low62 Ų6295.1 Ų95.132%0.31849%0.489SS..Hα-helixtrans-69.3-32173.6-77.2171.9000112W632 V633 I634 H639 A640W632-I636 HydrophobicContact CD2-CD1 3.61Å; W632-I636 VanDerWaalsContact CE2-CD1 3.46Å; W632-I636 HydrophobicContact CE3-CD1 3.82Å; W632-I636 HydrophobicContact CG-CD1 4.27Å; W632-I636 HydrophobicContact CH2-CD1 3.8Å; W632-I636 HydrophobicContact CZ2-CD1 3.58Å; W632-I636 HydrophobicContact CZ3-CD1 3.9Å; W632-I636 VanDerWaalsContact O-CB 3.29Å; W632-I636 WeakPolarHBondContact O-CB 3.44Å; W632-I636 VanDerWaalsContact O-CG1 3.27Å; W632-I636 WeakPolarHBondContact O-CG1 3.42Å; W632-I636 PolarHBondContact O-N 2.86Å; V633-I636 CarbonylContact O-C 3.56Å; V633-I636 PolarHBondContact O-N 3.06Å; I634-I636 VanDerWaalsContact C-N 3.32Å; I634-I636 PolarHBondContact O-N 2.59Å; I636-H639 CarbonylContact O-C 3.6Å; I636-A640 VanDerWaalsContact O-CA 3.31Å; I636-A640 WeakPolarHBondContact O-CA 3.33Å; I636-A640 WeakPolarHBondContact O-CB 3.22Å; I636-A640 PolarHBondContact O-N 3.37Å
637L57.4Low59.1Low109 Ų10995.3 Ų95.357%0.57148%0.484SS*.Hα-helixtrans-72.4-45.2175.3-80164.1000111.5V633 I634 A640V633-L637 HydrophobicContact CG1-CD1 4.01Å; V633-L637 WeakPolarHBondContact O-CB 3.4Å; V633-L637 WeakPolarHBondContact O-CG 3.29Å; V633-L637 PolarHBondContact O-N 3.31Å; I634-L637 PolarHBondContact O-N 3.42Å; I634-L637 VanDerWaalsContact O-N 3.15Å; L637-A640 PolarHBondContact O-N 2.82Å
638M56.2Low58.1Low126 Ų12693.8 Ų93.862%0.62148%0.478SS*.Hα-helixtrans-58.6-55.1172.8-67.8-65-67.600110.3I634 A640 V641I634-M638 HydrophobicContact CG2-CG 4.45Å; I634-M638 VanDerWaalsContact O-CG 3.31Å; I634-M638 WeakPolarHBondContact O-CG 3.42Å; I634-M638 PolarHBondContact O-N 3.42Å; M638-A640 VanDerWaalsContact C-N 3.28Å; M638-A640 PolarHBondContact O-N 2.66Å; M638-V641 PolarHBondContact O-N 3.39Å
639H52Low56.9Low94 Ų9493.1 Ų93.144%0.43548%0.475SS..Hα-helixtrans-70.7-13.5175.7-83.8-47.9000113.9M635 I636 V641 D642 I643M635-H639 VanDerWaalsContact O-CB 3.25Å; M635-H639 WeakPolarHBondContact O-CB 3.14Å; M635-H639 PolarHBondContact O-N 2.87Å; I636-H639 CarbonylContact O-C 3.6Å; H639-V641 VanDerWaalsContact C-N 3.28Å; H639-V641 PolarHBondContact O-N 3.19Å; H639-D642 IonicContact ND1-OD2 3.11Å; H639-D642 CarbonylContact O-C 3.54Å; H639-D642 PolarHBondContact O-N 3.08Å; H639-I643 HydrophobicContact CB-CD1 3.79Å; H639-I643 HydrophobicContact CB-CG1 4.18Å; H639-I643 WeakPolarHBondContact O-CA 3.44Å; H639-I643 WeakPolarHBondContact O-CB 3.19Å; H639-I643 WeakPolarHBondContact O-CG1 3.23Å; H639-I643 PolarHBondContact O-N 2.97Å
640A51.4Low56.1Low34 Ų3491.1 Ų91.128%0.28147%0.469SS..Hα-helixtrans-68-34176.600000110.9I636 L637 M638 V644I636-A640 VanDerWaalsContact O-CA 3.31Å; I636-A640 WeakPolarHBondContact O-CA 3.33Å; I636-A640 WeakPolarHBondContact O-CB 3.22Å; I636-A640 PolarHBondContact O-N 3.37Å; L637-A640 PolarHBondContact O-N 2.82Å; M638-A640 VanDerWaalsContact C-N 3.28Å; M638-A640 PolarHBondContact O-N 2.66Å; A640-V644 WeakPolarHBondContact O-CB 3.27Å; A640-V644 VanDerWaalsContact O-CG2 3.25Å; A640-V644 WeakPolarHBondContact O-CG2 3.14Å; A640-V644 PolarHBondContact O-N 2.95Å
641V52.2Low55.2Low103 Ų10394.3 Ų94.362%0.62447%0.473SS*.Hα-helixtrans-61.7-48.5172.1-1760000109.7M638 H639 Q645M638-V641 PolarHBondContact O-N 3.39Å; H639-V641 VanDerWaalsContact C-N 3.28Å; H639-V641 PolarHBondContact O-N 3.19Å; V641-Q645 PolarHBondContact O-N 3.49Å
642D47.5Very low54.2Low92 Ų9293.5 Ų93.549%0.49247%0.469SS..Hα-helixtrans-72.5-31.2178.7-63.1-34.4000113.9H639 Q645 L646H639-D642 IonicContact ND1-OD2 3.11Å; H639-D642 CarbonylContact O-C 3.54Å; H639-D642 PolarHBondContact O-N 3.08Å; D642-Q645 CarbonylContact O-C 3.6Å; D642-Q645 VanDerWaalsContact O-CB 3.25Å; D642-Q645 WeakPolarHBondContact O-CB 3.34Å; D642-Q645 PolarHBondContact O-N 3.36Å; D642-L646 WeakPolarHBondContact O-CB 3.43Å; D642-L646 PolarHBondContact O-N 3.45Å
643I52.2Low53.1Low66 Ų6691.3 Ų91.334%0.33846%0.461SS..Hα-helixtrans-85.1-28.4-176.5-71.7174.3000110.7H639 Q645 L646 F647H639-I643 HydrophobicContact CB-CD1 3.79Å; H639-I643 HydrophobicContact CB-CG1 4.18Å; H639-I643 WeakPolarHBondContact O-CA 3.44Å; H639-I643 WeakPolarHBondContact O-CB 3.19Å; H639-I643 WeakPolarHBondContact O-CG1 3.23Å; H639-I643 PolarHBondContact O-N 2.97Å; I643-Q645 VanDerWaalsContact C-N 3.31Å; I643-L646 PolarHBondContact O-N 2.95Å; I643-F647 HydrophobicContact CG2-CD2 3.66Å; I643-F647 HydrophobicContact CG2-CE2 3.97Å; I643-F647 WeakPolarHBondContact O-CB 3.44Å; I643-F647 WeakPolarHBondContact O-CD2 3.41Å; I643-F647 PolarHBondContact O-N 3.45Å
644V50.7Low52Low101 Ų10192.5 Ų92.561%0.61246%0.463SS*.Hα-helixtrans-64-42.9162.8169.40000108.9A640 L646 F647 F648A640-V644 WeakPolarHBondContact O-CB 3.27Å; A640-V644 VanDerWaalsContact O-CG2 3.25Å; A640-V644 WeakPolarHBondContact O-CG2 3.14Å; A640-V644 PolarHBondContact O-N 2.95Å; V644-L646 VanDerWaalsContact C-N 3.33Å; V644-L646 PolarHBondContact O-N 3.01Å; V644-F647 PolarHBondContact O-N 3.21Å; V644-F648 WeakPolarHBondContact O-CB 3.47Å; V644-F648 PolarHBondContact O-N 3.35Å
645Q48.5Very low51.1Low86 Ų8690.7 Ų90.740%0.40246%0.458SS..Hα-helixtrans-59.8-41.8171.6-144.6108.7-83.200111.9V641 D642 I643 F648 N649V641-Q645 PolarHBondContact O-N 3.49Å; D642-Q645 CarbonylContact O-C 3.6Å; D642-Q645 VanDerWaalsContact O-CB 3.25Å; D642-Q645 WeakPolarHBondContact O-CB 3.34Å; D642-Q645 PolarHBondContact O-N 3.36Å; I643-Q645 VanDerWaalsContact C-N 3.31Å; Q645-F648 PolarHBondContact O-N 2.82Å; Q645-N649 WeakPolarHBondContact O-CB 3.15Å; Q645-N649 PolarHBondContact O-N 2.97Å; Q645-N649 PolarHBondContact O-ND2 3.04Å
646L47.9Very low50.3Low90 Ų9088.3 Ų88.347%0.47145%0.451SS..Hα-helixtrans-70.4-39.6-180-161.380000112.2D642 I643 V644 N649 I650D642-L646 WeakPolarHBondContact O-CB 3.43Å; D642-L646 PolarHBondContact O-N 3.45Å; I643-L646 PolarHBondContact O-N 2.95Å; V644-L646 VanDerWaalsContact C-N 3.33Å; V644-L646 PolarHBondContact O-N 3.01Å; L646-N649 CarbonylContact O-C 3.54Å; L646-N649 PolarHBondContact O-N 2.96Å; L646-I650 HydrophobicContact CD2-CD1 4.05Å; L646-I650 HydrophobicContact CG-CD1 3.89Å; L646-I650 WeakPolarHBondContact O-CB 3.16Å; L646-I650 WeakPolarHBondContact O-CG1 3.07Å; L646-I650 PolarHBondContact O-N 3.26Å
647F49.7Very low49.2Very low132 Ų13289.1 Ų89.158%0.57946%0.456SS*.Hα-helixtrans-72.1-32174-95-92.3000111.6I643 V644 N649 I650 Y651I643-F647 HydrophobicContact CG2-CD2 3.66Å; I643-F647 HydrophobicContact CG2-CE2 3.97Å; I643-F647 WeakPolarHBondContact O-CB 3.44Å; I643-F647 WeakPolarHBondContact O-CD2 3.41Å; I643-F647 PolarHBondContact O-N 3.45Å; V644-F647 PolarHBondContact O-N 3.21Å; F647-N649 VanDerWaalsContact C-N 3.33Å; F647-I650 PolarHBondContact O-N 3.38Å; F647-Y651 WeakPolarHBondContact O-CB 3.31Å; F647-Y651 PolarHBondContact O-N 3.18Å
648F50.9Low48.3Very low104 Ų10490.5 Ų90.546%0.45646%0.463SS..Hα-helixtrans-63.9-41.9168.6-137.8-90.2000110.6V644 Q645 L652V644-F648 WeakPolarHBondContact O-CB 3.47Å; V644-F648 PolarHBondContact O-N 3.35Å; Q645-F648 PolarHBondContact O-N 2.82Å; F648-L652 HydrophobicContact CD1-CD1 3.98Å; F648-L652 HydrophobicContact CD1-CG 4.47Å; F648-L652 VanDerWaalsContact O-CB 3.29Å; F648-L652 WeakPolarHBondContact O-CB 3.43Å; F648-L652 VanDerWaalsContact O-CG 3.27Å; F648-L652 WeakPolarHBondContact O-CG 3.44Å; F648-L652 PolarHBondContact O-N 3.32Å
649N46.4Very low47.3Very low82 Ų8291.8 Ų91.844%0.43947%0.472SS..Hα-helixtrans-68-38174.9-72-13000113Q645 L646 F647 L652 Y653Q645-N649 WeakPolarHBondContact O-CB 3.15Å; Q645-N649 PolarHBondContact O-N 2.97Å; Q645-N649 PolarHBondContact O-ND2 3.04Å; L646-N649 CarbonylContact O-C 3.54Å; L646-N649 PolarHBondContact O-N 2.96Å; F647-N649 VanDerWaalsContact C-N 3.33Å; N649-L652 PolarHBondContact O-N 3.43Å; N649-Y653 VanDerWaalsContact O-CB 3.27Å; N649-Y653 WeakPolarHBondContact O-CB 3.46Å; N649-Y653 PolarHBondContact O-N 3.41Å
650I52.9Low46.3Very low71 Ų7195.3 Ų95.336%0.36449%0.488SS..Hα-helixtrans-74.4-34.1177-71163.9000110.9L646 F647 Y653 M654L646-I650 HydrophobicContact CD2-CD1 4.05Å; L646-I650 HydrophobicContact CG-CD1 3.89Å; L646-I650 WeakPolarHBondContact O-CB 3.16Å; L646-I650 WeakPolarHBondContact O-CG1 3.07Å; L646-I650 PolarHBondContact O-N 3.26Å; F647-I650 PolarHBondContact O-N 3.38Å; I650-Y653 PolarHBondContact O-N 2.92Å; I650-M654 HydrophobicContact CG2-CG 4.4Å; I650-M654 WeakPolarHBondContact O-CB 3.46Å; I650-M654 VanDerWaalsContact O-CG 3.32Å; I650-M654 WeakPolarHBondContact O-CG 3.17Å; I650-M654 PolarHBondContact O-N 2.9Å
651Y48.7Very low45.3Very low126 Ų12697.6 Ų97.649%0.49450%0.502SS..Hα-helixtrans-67.6-42.7171.1-176.7-100.9000110.7F647 Y653 M654 S655F647-Y651 WeakPolarHBondContact O-CB 3.31Å; F647-Y651 PolarHBondContact O-N 3.18Å; Y651-Y653 VanDerWaalsContact C-N 3.33Å; Y651-Y653 PolarHBondContact O-N 3.08Å; Y651-M654 PolarHBondContact O-N 2.66Å; Y651-S655 VanDerWaalsContact O-CB 3.27Å; Y651-S655 WeakPolarHBondContact O-CB 3.25Å; Y651-S655 PolarHBondContact O-N 3.08Å; Y651-S655 PolarHBondContact O-OG 3.08Å
652L47.9Very low44.2Very low69 Ų6997.9 Ų97.936%0.36151%0.509SS..Hα-helixtrans-59.9-41.2169-79165.4000111.8F648 N649 S655 S656F648-L652 HydrophobicContact CD1-CD1 3.98Å; F648-L652 HydrophobicContact CD1-CG 4.47Å; F648-L652 VanDerWaalsContact O-CB 3.29Å; F648-L652 WeakPolarHBondContact O-CB 3.43Å; F648-L652 VanDerWaalsContact O-CG 3.27Å; F648-L652 WeakPolarHBondContact O-CG 3.44Å; F648-L652 PolarHBondContact O-N 3.32Å; N649-L652 PolarHBondContact O-N 3.43Å; L652-S655 WeakPolarHBondContact CA-OG 3.35Å; L652-S655 PolarHBondContact O-OG 3.11Å; L652-S656 WeakPolarHBondContact O-CB 3.09Å; L652-S656 PolarHBondContact O-N 2.98Å; L652-S656 PolarHBondContact O-OG 3Å
653Y44.7Very low43.2Very low106 Ų10698.5 Ų98.542%0.41652%0.516SS..Hα-helixtrans-64.8-48.9177.9-162.6-98.2000111.6N649 I650 Y651 S656 L657N649-Y653 VanDerWaalsContact O-CB 3.27Å; N649-Y653 WeakPolarHBondContact O-CB 3.46Å; N649-Y653 PolarHBondContact O-N 3.41Å; I650-Y653 PolarHBondContact O-N 2.92Å; Y651-Y653 VanDerWaalsContact C-N 3.33Å; Y651-Y653 PolarHBondContact O-N 3.08Å; Y653-S656 WeakPolarHBondContact CA-OG 3.33Å; Y653-S656 PolarHBondContact O-N 3.49Å; Y653-S656 PolarHBondContact O-OG 2.87Å; Y653-L657 WeakPolarHBondContact O-CB 3.47Å; Y653-L657 PolarHBondContact O-N 2.97Å
654M43.6Very low42Very low98 Ų98100 Ų10048%0.48353%0.533SS..Hα-helixtrans-68.4-37178.2-71.3-66.2-178.800112.5I650 Y651 L657 L658I650-M654 HydrophobicContact CG2-CG 4.4Å; I650-M654 WeakPolarHBondContact O-CB 3.46Å; I650-M654 VanDerWaalsContact O-CG 3.32Å; I650-M654 WeakPolarHBondContact O-CG 3.17Å; I650-M654 PolarHBondContact O-N 2.9Å; Y651-M654 PolarHBondContact O-N 2.66Å; M654-L657 PolarHBondContact O-N 3.32Å; M654-L658 WeakPolarHBondContact O-CB 3.35Å; M654-L658 PolarHBondContact O-N 2.7Å
655S49.2Very low40.9Very low50 Ų50102.7 Ų102.735%0.3554%0.538SS..Hα-helixtrans-76.4-18.7174.559.30000113.7Y651 L652Y651-S655 VanDerWaalsContact O-CB 3.27Å; Y651-S655 WeakPolarHBondContact O-CB 3.25Å; Y651-S655 PolarHBondContact O-N 3.08Å; Y651-S655 PolarHBondContact O-OG 3.08Å; L652-S655 WeakPolarHBondContact CA-OG 3.35Å; L652-S655 PolarHBondContact O-OG 3.11Å
656S44.9Very low39.8Very low53 Ų53104 Ų10437%0.37156%0.557SS.*Hα-helixtrans-77.6-38.1161.4540000112.5L652 Y653 L659L652-S656 WeakPolarHBondContact O-CB 3.09Å; L652-S656 PolarHBondContact O-N 2.98Å; L652-S656 PolarHBondContact O-OG 3Å; Y653-S656 WeakPolarHBondContact CA-OG 3.33Å; Y653-S656 PolarHBondContact O-N 3.49Å; Y653-S656 PolarHBondContact O-OG 2.87Å; S656-L659 PolarHBondContact O-N 3.21Å
657L38.2Very low38.9Very low79 Ų79110.5 Ų110.541%0.41458%0.575SS.*Hα-helixtrans-71-31.5-178.4-153.172.7000112.5Y653 M654Y653-L657 WeakPolarHBondContact O-CB 3.47Å; Y653-L657 PolarHBondContact O-N 2.97Å; M654-L657 PolarHBondContact O-N 3.32Å
658L38.5Very low37.7Very low139 Ų139110.6 Ų110.673%0.72858%0.576SS**THydrogen-bonded Turntrans-83-6.3175.7-86.4160.9000114.7M654M654-L658 WeakPolarHBondContact O-CB 3.35Å; M654-L658 PolarHBondContact O-N 2.7Å
659L36.1Very low36.6Very low152 Ų152112 Ų11280%0.79659%0.593SS**THydrogen-bonded Turntrans-10713.7176-145.677.6000113S656S656-L659 PolarHBondContact O-N 3.21Å
660Q31.1Very low35.6Very low168 Ų168115 Ų11579%0.78561%0.608SS**SBendtrans-14032.2-175.5-149.3164.55.200113.8
661S29Very low34.3Very low82 Ų82115.6 Ų115.657%0.57362%0.619SS**SBendtrans-149.448.9172.871.70000114.5T663S661-T663 VanDerWaalsContact C-OG1 3.3Å
662S29.6Very low33.1Very low109 Ų109114.4 Ų114.476%0.76263%0.629SS**  trans-165.267.1164.8600000109.6
663T26.6Very low32.1Very low106 Ų106121.1 Ų121.165%0.6565%0.651SS**  cis56.6117.741.870.90000115S661S661-T663 VanDerWaalsContact C-OG1 3.3Å
664S26.9Very low31.1Very low98 Ų98121.3 Ų121.369%0.68566%0.663SS**  trans74.2152.215995.10000117.6
665H28.7Very low30.2Very low156 Ų156120.8 Ų120.872%0.72267%0.669SS**  cis-144.7141.3-0.7-86.7-69.9000112.3
666S24.9Very low29.2Very low115 Ų115124.5 Ų124.580%0.80469%0.685SS**  trans-145.888.2140.245.40000107.8
667W27.6Very low28.3Very low225 Ų225128.5 Ų128.585%0.85270%0.702SS**  83.7114.6106.7-72.826.4000112.4
668F25Very low27.8Very low135 Ų135130.7 Ų130.759%0.59272%0.715SS**  87.388.960.1-112.7-75.1000115R540R540-F668 VanDerWaalsContact NH2-CZ 3.33Å
669T28Very low27.3Very low132 Ų132130.6 Ų130.681%0.8171%0.71SS**  trans-171.5149.2152.231.10000107.7
670L25Very low26.9Very low146 Ų146131.8 Ų131.876%0.76471%0.705SS**  cis-152.1158-26.9-160.170.9000109.4
671S25.5Very low26.8Very low84 Ų84129.2 Ų129.259%0.58770%0.697SS**  trans41.5133.9148.756.90000123.8
672S25.1Very low26.6Very low101 Ų101130.9 Ų130.971%0.70670%0.704SS**  trans72.1149.5134.168.30000119.8
673Y25.1Very low26.5Very low209 Ų209132.3 Ų132.382%0.8270%0.702SS**  cis-150.9177.5-6.5-134.4-144.7000111.4
674T24.8Very low26.4Very low110 Ų110132.7 Ų132.768%0.67570%0.704SS**  trans-26.6164.8152.755.60000116.4
675S24.8Very low26.3Very low87 Ų87133.3 Ų133.361%0.60870%0.704SS**  cis-175.8-175.8-9.6179.30000105.3
676D28.2Very low26.2Very low128 Ų128131.1 Ų131.168%0.68470%0.702SS**  trans74.1118.8161.2-48.6-25.9000114.2
677N25.2Very low26.3Very low137 Ų137131.8 Ų131.873%0.73370%0.701SS**  85.2153.754.3-70.1-34.6000113.1
678D27.6Very low26.2Very low126 Ų126126.2 Ų126.267%0.67469%0.692SS**  trans64.6104.3170.4-57-15.1000115.6
679H28.2Very low26.2Very low136 Ų136126.4 Ų126.463%0.6370%0.699SS**  107.6153.290.9-84.7-14.1000109.6
680Y29.1Very low26.1Very low177 Ų177125.3 Ų125.369%0.69470%0.696SS**  cis-138.3148.27-109.3-70.5000110.9
681N28Very low26.2Very low114 Ų114122.5 Ų122.561%0.6169%0.689SS**  trans25.3130139.4-67.25.1000120.9
682T24.6Very low26.3Very low118 Ų118124.5 Ų124.572%0.72469%0.693SS**  64.5163.16671.90000115.1
683I27.6Very low26.7Very low139 Ų139128.1 Ų128.171%0.71370%0.701SS**  trans78.693.8-173-50.7171.6000111.8
684T25Very low26.7Very low114 Ų114125.2 Ų125.270%0.69970%0.7SS**  80.6151.158.672.30000116.3
685T25.3Very low27Very low110 Ų110123.2 Ų123.268%0.67570%0.701SS**  trans73.2111149.239.70000121.2
686T25.8Very low27.2Very low111 Ų111126.7 Ų126.768%0.68171%0.707SS**  70.3128.4126.3590000122.8
687T26.4Very low27.4Very low128 Ų128128.4 Ų128.479%0.78571%0.711SS**  trans68.7156134.660.80000118.3
688V26.7Very low27.5Very low109 Ų109128.9 Ų128.966%0.66171%0.712SS**  cis-158.2148-10.6117.90000109.2
689N24.2Very low27.7Very low138 Ų138127.7 Ų127.774%0.73871%0.711SS**  trans36.1162.6156.2-55-7.6000123.6
690S26.4Very low27.5Very low109 Ų109128.7 Ų128.776%0.76272%0.72SS**  trans73144144400000120.3
691S27.7Very low27.3Very low88 Ų88125.2 Ų125.262%0.61572%0.722SS**  cis-169.4173.1-1850.80000112.1
692D27.5Very low27.1Very low126 Ų126126.4 Ų126.467%0.67473%0.733SS**  trans74.6175.6151.6-55.3-44.8000120.7
693M31.6Very low27.1Very low176 Ų176124.7 Ų124.787%0.86773%0.726SS**  trans83.448.1-177.7-52.3-53.2173.200118.3
694N26.8Very low27.1Very low148 Ų148126.7 Ų126.779%0.79173%0.732SS**  3.8134.2127.6-58.4-35.2000119.1
695G30.8Very low27.1Very low68 Ų68128.9 Ų128.970%0.70174%0.739SS**  trans173.383.7162.800000111.1
696H29.2Very low27.3Very low160 Ų160128.4 Ų128.474%0.74174%0.737SS**  68.2139.986.9-85.6-79.7000115.9
697H31.2Very low27.3Very low165 Ų165130.1 Ų130.176%0.76474%0.742SS**  trans72.7152.3172.4-52-63.1000115.7
698I28.8Very low27.3Very low147 Ų147131.1 Ų131.175%0.75474%0.739SS**  cis-164.4163.6-33.7-119166.8000106.2
699P31.6Very low27.5Very low101 Ų101132.1 Ų132.166%0.65674%0.741SS**  trans-94.6-174.3-162.737.7-38.5000116.3
700L22.8Very low27.9Very low156 Ų156129.9 Ų129.982%0.81774%0.736SS**  trans97.3151.2166.8-62.9135.4000118.6
701S24.9Very low28.2Very low105 Ų105129.9 Ų129.973%0.73474%0.736SS**  trans73.3135.5164.42.50000116.4
702V23.9Very low28.3Very low138 Ų138131.2 Ų131.284%0.83674%0.74SS**  68.5125.853.4177.80000109.7
703S25.9Very low28.3Very low82 Ų82134.2 Ų134.257%0.57375%0.748SS**  cis-159.9174.323.7380000115.4
704Q27.5Very low28.1Very low181 Ų181130.2 Ų130.285%0.84674%0.737SS**  trans81.9134.6140.1-83.8150.1-34.800123.6
705L23.3Very low28.2Very low160 Ų160128.3 Ų128.384%0.83874%0.735SS**  trans-61.3173.6155.9-112.581.2000111.6
706P29.6Very low27.9Very low100 Ų100132.8 Ų132.865%0.64974%0.742SS**  cis-156.5-170.643.646.4-25.4000118.5
707L26Very low27.9Very low148 Ų148129.7 Ų129.778%0.77574%0.738SS**  trans62.8159.1161-93.175.8000116.5
708M27.9Very low27.6Very low149 Ų149129.1 Ų129.173%0.73474%0.74SS**  cis-163.6160-28.9-128.6-176.8-175.700105.8
709N30.2Very low27.6Very low129 Ų129128.7 Ų128.769%0.6974%0.744SS**  cis-139.4-152.2-7-151-5.5000104.8
710S32.8Very low27.2Very low92 Ų92130.8 Ų130.864%0.64375%0.75SS**  cis-172.2152.2-1229.90000103.8
711S32.5Very low27.4Very low108 Ų108128.4 Ų128.476%0.75575%0.746SS**  cis-175164.1-11.952.20000104.6
712V28.9Very low27.4Very low117 Ų117128.2 Ų128.271%0.70975%0.745SS**  cis-159160.914.783.10000105.4
713F27.5Very low27.5Very low189 Ų189128.9 Ų128.983%0.82974%0.742SS**  cis-152-143.718-141.7-28.1000112
714S28.9Very low27.4Very low91 Ų91132.9 Ų132.964%0.63675%0.752SS**  trans-60.6162.5172.647.40000117.1
715S28.8Very low27.3Very low108 Ų108129.1 Ų129.176%0.75575%0.745SS**  cis176.3169.6-11.459.30000107.9
716L24.9Very low27.3Very low163 Ų163128.3 Ų128.385%0.85374%0.742SS**  cis-157.3178.1-8.3-127171.2000107.4
717S27.7Very low27.1Very low94 Ų94128.6 Ų128.666%0.65775%0.747SS**  trans-163.4-173.2172.363.90000113.2
718L26.1Very low27.1Very low154 Ų154129.7 Ų129.781%0.80675%0.747SS**  trans78.6147.4-176.8-60.9119.7000114
719V27.3Very low27Very low137 Ų137130.4 Ų130.483%0.8375%0.749SS**  cis-143.1156.946.4162.30000113.9
720N24.8Very low26.8Very low145 Ų145129.6 Ų129.678%0.77575%0.745SS**  trans-88.6147.4171.2-82.6-31.3000112.8
721S26.7Very low26.5Very low106 Ų106133.2 Ų133.274%0.74176%0.756SS**  166.1132.5116.150.90000116
722S24.4Very low26.1Very low102 Ų102135.8 Ų135.871%0.71375%0.754SS**  trans56.6163.4142.462.50000122.8
723I25.7Very low26Very low152 Ų152134.5 Ų134.578%0.77975%0.75SS**  trans72.5117.8173.8-50.8173.9000111.9
724Q23.9Very low26Very low166 Ų166133.3 Ų133.378%0.77675%0.751SS**  cis128.1144.814.2167.7177.9-12.900106.6
725S25.2Very low26.2Very low101 Ų101136.1 Ų136.171%0.70676%0.757SS**  trans59.8155.7-178400000115.7
726D23.7Very low25.9Very low144 Ų144140 Ų14077%0.7776%0.76SS**  cis167.1148.5-29.8-104.4-51.7000105.2
727S24.8Very low26Very low106 Ų106139 Ų13974%0.74176%0.756SS**  trans71.4158.4157.280.20000121
728Q26.4Very low26Very low170 Ų170141.5 Ų141.579%0.79477%0.767SS**  trans65.6109.5169.9-57.6-174.5-30.800115.8
729E25.3Very low25.9Very low165 Ų165138.1 Ų138.177%0.77176%0.756SS**  72.914354.4-65.2-158.2161.200115.9
730N26Very low25.7Very low112 Ų112138.9 Ų138.960%0.59975%0.754SS**  trans67.391.3156.9-57.2-42.9000119.4F732N730-F732 HydrophobicContact CB-CD2 4.38Å; N730-F732 HydrophobicContact CB-CE2 4.49Å
731L26.4Very low25.8Very low167 Ų167137.4 Ų137.487%0.87475%0.75SS**  trans-152.288.4131.2-105.4162.2000107.5
732F25.7Very low25.7Very low163 Ų163139.2 Ų139.272%0.71575%0.751SS**  45.993.393.7-80.8-99.5000112.1N730N730-F732 HydrophobicContact CB-CD2 4.38Å; N730-F732 HydrophobicContact CB-CE2 4.49Å
733S25Very low25.8Very low90 Ų90143.3 Ų143.363%0.62976%0.759SS**  88.8108.275.568.60000113.7
734I29.5Very low25.8Very low164 Ų164143.9 Ų143.984%0.84176%0.758SS**  trans179.9129.2160.9-98.6146.4000105
735I31.5Very low25.9Very low150 Ų150142.3 Ų142.377%0.76976%0.756SS**  cis-132.7152.5-13-93.1161.9000107.7
736K23.5Very low25.9Very low189 Ų189142.2 Ų142.282%0.82276%0.755SS**  trans-125.3167.7166.5-140.3-179-173.4-1780108.4
737N26.3Very low26Very low142 Ų142143.8 Ų143.876%0.75976%0.761SS**  trans79.6150.7-165.2-41.7-24000110.4
738V27.5Very low26.1Very low146 Ų146141.7 Ų141.789%0.88576%0.757SS**  cis-113.617221.3177.80000112.5
739S23.3Very low26Very low84 Ų84141.9 Ų141.959%0.58776%0.757SS**  trans-157.3151.2-165.762.60000114.4
740I23.9Very low26.3Very low152 Ų152141 Ų14178%0.77975%0.753SS**  trans80.3155.6162.8-41.2156.8000116.5
741V26.7Very low26.1Very low115 Ų115142.2 Ų142.270%0.69776%0.759SS**  trans98.387.3162.3-164.90000117.4
742D24.1Very low26Very low144 Ų144142.7 Ų142.777%0.7775%0.754SS**  36.5157.8115.7-51.6-44.5000123.9
743Q27.6Very low26Very low187 Ų187140.7 Ų140.787%0.87476%0.755SS**  trans104.4121.7158.8-57.6-156.9-77.100119.3
744E24.5Very low26Very low164 Ų164141.1 Ų141.177%0.76676%0.757SS**  trans-63172.6179.5-53.3167.913500115.6
745N26.1Very low25.8Very low134 Ų134140.2 Ų140.272%0.71775%0.753SS**  trans100.8115147.5-62.8-50.5000120.2
746S26.4Very low25.5Very low99 Ų99138.5 Ų138.569%0.69275%0.746SS**  89.7117.6125.567.20000121.8
747I25.9Very low25.7Very low177 Ų177136.5 Ų136.591%0.90874%0.739SS**  64.7128.1129.1-57167.2000118.8
748G26.3Very low25.9Very low62 Ų62137 Ų13764%0.63974%0.737SS**  trans129.884137.900000119.3
749E25.5Very low25.8Very low173 Ų173137.2 Ų137.281%0.80873%0.728SS**  trans46.9148.4131.5-61-175.8146.400125
750H29.7Very low26.1Very low147 Ų147139.7 Ų139.768%0.68173%0.734SS**  trans84.2104.5143.6-74.1-41.8000124.3
751L23.4Very low26.3Very low137 Ų137139.8 Ų139.872%0.71774%0.736SS**  84.5109.1117.9-72.9169.9000124.1
752K23.7Very low26.8Very low178 Ų178139.4 Ų139.477%0.77474%0.736SS**  72.9135.6122.3-94.3-166.4174.5-1770123.8
753V25Very low27.3Very low121 Ų121140.8 Ų140.873%0.73374%0.737SS**  trans77.1144.5141.3173.10000115.2
754S25.1Very low27.5Very low98 Ų98138 Ų13869%0.68573%0.728SS**  cis-156.5150.620.617.50000115.7
755L25.9Very low27.7Very low145 Ų145136.7 Ų136.776%0.75973%0.727SS**  trans52.4122137-8178.2000125.3
756N25.2Very low27.8Very low114 Ų114137.4 Ų137.461%0.6173%0.725SS**  80.9116.6115.3-66.421.9000126.5
757Q28Very low27.7Very low147 Ų147141.8 Ų141.869%0.68773%0.732SS**  91.3146.7115.8-72.6178.9-72.400124.8
758H29.5Very low27.7Very low152 Ų152140.5 Ų140.570%0.70473%0.726SS**  trans74157163.9-63.9-74.4000121.6
759E26.5Very low27.6Very low152 Ų152146.6 Ų146.671%0.7174%0.738SS**  cis-178.9172.2-46.1-158.8161.8-15300109.6
760I28.8Very low27.4Very low136 Ų136146.5 Ų146.570%0.69774%0.738SS**  trans79.993.6159.8-50.2-179000119.8
761D27.7Very low27.2Very low153 Ų153150.6 Ų150.682%0.81875%0.747SS**  66.4158122-60.9-16.5000126.4
762P37.4Very low27.1Very low108 Ų108152 Ų15270%0.70176%0.756SS**  trans-125.8-175.2-160.844.9-30.1000115.7
763H34.3Very low27.2Very low172 Ų172150.7 Ų150.780%0.79676%0.756SS**  trans-160.8146.6158.6-104.7-78.1000114.9
764D33.3Very low27.1Very low128 Ų128150.6 Ų150.668%0.68476%0.76SS**  trans65.797144.6-54-11.8000125.4
765D27.8Very low27Very low138 Ų138151.1 Ų151.174%0.73876%0.759SS**  81.4140.2109.6-86.7-1.7000128.8
766H27.6Very low26.9Very low148 Ų148151.7 Ų151.769%0.68576%0.758SS**  trans64102.6147.8-82.1-64.7000123.4
767F26.1Very low26.9Very low191 Ų191154.8 Ų154.884%0.83877%0.766SS**  -175.5168.797.1-116-88.2000113.7
768L24Very low26.7Very low150 Ų150154 Ų15479%0.78577%0.766SS**  trans-84.7148.4-175.6-55.785.8000114
769Q25Very low26.6Very low190 Ų190152.5 Ų152.589%0.88877%0.768SS**  -169.7161.7113.3-159.9154.919.200111.8
770E22.4Very low26.5Very low172 Ų172148.8 Ų148.880%0.80477%0.771SS**  trans-68.4137.9-179.2-56.7166.5110.300114.3
771R23.7Very low26.6Very low232 Ų232148.5 Ų148.588%0.87578%0.775SS**  trans-175.5157.6135-102.1154.2-163.8-175.96.1112.6I773R771-I773 PolarHBondContact O-N 3.26Å
772D22.7Very low26.6Very low167 Ų167148.6 Ų148.689%0.89378%0.775SS**  trans-61.7125.4178.9-54.6-90.4000112.3
773I24.7Very low26.2Very low151 Ų151149.1 Ų149.177%0.77477%0.772SS**  trans-118.3115.1172.2-63.7-179.9000109.6R771R771-I773 PolarHBondContact O-N 3.26Å
774S22.7Very low26.1Very low118 Ų118148.5 Ų148.583%0.82578%0.775SS**  trans-66.1125.6167.951.10000110.8
775V24.6Very low26.1Very low110 Ų110150.4 Ų150.467%0.66778%0.783SS**  trans-107112.4168.7-178.10000109.3F777V775-F777 HydrophobicContact CG1-CD2 4.43Å; V775-F777 HydrophobicContact CG1-CE2 3.9Å; V775-F777 HydrophobicContact CG1-CZ 4.31Å
776Q22.8Very low26.1Very low156 Ų156152 Ų15273%0.72978%0.783SS**  trans-80.9138.4178.2-174.4166.9-47.400109.6D778Q776-D778 PolarHBondContact NE2-OD2 2.84Å
777F26.2Very low26.2Very low179 Ų179149.7 Ų149.779%0.78578%0.784SS**  trans-118.880.4174.5-81.3-83.5000109.4V775V775-F777 HydrophobicContact CG1-CD2 4.43Å; V775-F777 HydrophobicContact CG1-CE2 3.9Å; V775-F777 HydrophobicContact CG1-CZ 4.31Å
778D22.7Very low26.3Very low130 Ų130149.4 Ų149.470%0.69579%0.786SS**  trans-70.3128.3161.4-70.6-63.4000108.9Q776Q776-D778 PolarHBondContact NE2-OD2 2.84Å
779V27.9Very low26.6Very low122 Ų122149.7 Ų149.774%0.73979%0.786SS**  trans-125.799.7170.9179.60000106.7
780G23.7Very low26.6Very low74 Ų74148.2 Ų148.276%0.76378%0.784SS**  trans-64.7151.4167.200000110.5
781V30.6Very low26.9Very low129 Ų129145.3 Ų145.378%0.78278%0.779SS**  trans-136.8125.1175-179.60000107.2
782D29.3Very low26.9Very low156 Ų156140 Ų14083%0.83477%0.774SS**  trans-67.1152-172.6-58.3-70.4000113.6
783D28.1Very low27.2Very low118 Ų118139.7 Ų139.763%0.63177%0.772SS**SBendtrans-91.73-161-117.4-34.2000115.5I785 K786D783-I785 PolarHBondContact O-N 3.08Å; D783-K786 IonicContact OD1-NZ 3.36Å; D783-K786 PolarHBondContact OD1-NZ 3.49Å
784D32.2Very low27.5Very low159 Ų159139.5 Ų139.585%0.8577%0.771SS**  trans-82.4-7.6-164-86.9-28000116.9
785I34Very low27.8Very low169 Ų169140.4 Ų140.487%0.86777%0.772SS**  trans-113.268.6-177.7-46.4-177.2000111.3D783D783-I785 PolarHBondContact O-N 3.08Å
786K27.1Very low28Very low170 Ų170141 Ų14174%0.73977%0.767SS**  trans-133.416.1-175.3-122.9174.8-147.5149.10116D783D783-K786 IonicContact OD1-NZ 3.36Å; D783-K786 PolarHBondContact OD1-NZ 3.49Å
787S29.5Very low28.3Very low101 Ų101142 Ų14271%0.70677%0.772SS**SBendtrans-132.4146.2170.575.50000111.6
788Q27.7Very low28.3Very low185 Ų185140.5 Ų140.586%0.86477%0.771SS**SBendtrans77159.2-171-46.6-175.221.800115.4
789I30.6Very low28.4Very low155 Ų155143.5 Ų143.580%0.79578%0.78SS**  trans67.697.4-171.6-49.3-179.4000115.2
790N25.1Very low28.4Very low160 Ų160143.9 Ų143.986%0.85678%0.778SS**  trans-80.4114.6169-69.8-53.7000111.8
791T28.4Very low28.4Very low111 Ų111146.2 Ų146.268%0.68177%0.773SS**  trans-15480.4161.135.90000113.7N793T791-N793 PolarHBondContact O-N 3.27Å; T791-N793 VanDerWaalsContact O-N 3.14Å
792P25.1Very low28.3Very low121 Ų121148.3 Ų148.379%0.78677%0.774SS**THydrogen-bonded Turntrans-79.793.9174.932-32.9000111.4
793N28Very low28.1Very low159 Ų159147.5 Ų147.585%0.8577%0.767SS**THydrogen-bonded Turntrans-161.8-17.4168-104.9-32.5000117.9T791T791-N793 PolarHBondContact O-N 3.27Å; T791-N793 VanDerWaalsContact O-N 3.14Å
794I30.9Very low28Very low147 Ų147145.4 Ų145.475%0.75476%0.758SS**SBendtrans-98-21.8-160.8-65.6174.6000115H796I794-H796 VanDerWaalsContact C-N 3.28Å; I794-H796 PolarHBondContact O-N 3.17Å; I794-H796 VanDerWaalsContact O-N 3.14Å
795V29.2Very low27.8Very low137 Ų137144 Ų14483%0.8375%0.747SS**G310 helixtrans-75.8-6.1-164.9-173.90000114.6H797V795-H797 PolarHBondContact O-N 2.94Å
796H28.1Very low27.5Very low123 Ų123142.5 Ų142.557%0.56974%0.74SS**G310 helixtrans-87.57.4-164.7-130.9-74.2000117.8I794 K1551I794-H796 VanDerWaalsContact C-N 3.28Å; I794-H796 PolarHBondContact O-N 3.17Å; I794-H796 VanDerWaalsContact O-N 3.14Å; H796-K1551 VanDerWaalsContact NE2-CE 3.26Å; H796-K1551 WeakPolarHBondContact NE2-CE 3.45Å; H796-K1551 PolarHBondContact NE2-NZ 3.44Å
797H30.3Very low27.5Very low178 Ų178139.4 Ų139.482%0.82473%0.732SS**G310 helixtrans-104.35.9-174.5-95.3-73.4000115.9V795V795-H797 PolarHBondContact O-N 2.94Å
798L24.8Very low27.7Very low147 Ų147141.5 Ų141.577%0.7773%0.729SS**  trans-116.859.7-172.3-73.9171.7000114.9
799Q26.6Very low28.1Very low192 Ų192137.2 Ų137.290%0.89772%0.715SS**  trans-13296.4157-90.6-179-54.900109
800L26.2Very low28.6Very low130 Ų130134.9 Ų134.968%0.68170%0.697SS**  trans-148.975-173.3-152.1175.7000110.1
801N25Very low29.6Very low123 Ų123131.3 Ų131.366%0.65868%0.677SS**  trans-143.8131.1166.8-93.3-6.8000106.3L233L233-N801 WeakPolarHBondContact CD2-OD1 3.42Å
802E27.1Very low30.4Very low174 Ų174130.2 Ų130.281%0.81367%0.671SS**  trans90.587-173.4-59.5-174.7178.100117.4
803M26Very low31.4Very low138 Ų138130.2 Ų130.268%0.6866%0.662SS**  trans179.171.6134.5-101.2171.2-79.600110.6Q805 L973M803-Q805 PolarHBondContact O-N 3.41Å; M803-L973 HydrophobicContact CE-CB 3.8Å; M803-L973 HydrophobicContact CE-CD1 3.82Å; M803-L973 HydrophobicContact CE-CG 4.29Å; M803-L973 HydrophobicContact SD-CB 4.06Å; M803-L973 HydrophobicContact SD-CD1 3.75Å; M803-L973 HydrophobicContact SD-CD2 3.93Å; M803-L973 HydrophobicContact SD-CG 4.11Å
804T26.7Very low32.6Very low74 Ų74128.4 Ų128.445%0.45465%0.647SS.*  trans-99.171.4178.444.60000111.8R235R235-T804 WeakPolarHBondContact CD-O 2.93Å; R235-T804 PolarHBondContact NH1-O 3.44Å
805Q27.8Very low33.8Very low130 Ų130123.3 Ų123.361%0.60762%0.62SS**  trans-155.3139.3163.8-124.9168-10.500113.6M803M803-Q805 PolarHBondContact O-N 3.41Å
806N26.8Very low35.2Very low137 Ų137121.9 Ų121.973%0.73360%0.6SS**SBendtrans71113.6163.2-53.3-25000118.3
807N28.6Very low36.6Very low105 Ų105119.7 Ų119.756%0.56159%0.593SS**  trans61.584.1162.2-61.6-9.1000117.4T809N807-T809 VanDerWaalsContact C-N 3.29Å; N807-T809 PolarHBondContact O-N 3.29Å
808F33Very low38.2Very low145 Ų145113.7 Ų113.764%0.63656%0.563SS**  trans-68.675.1171-132.9-95.9000111.9W810F808-W810 HydrophobicContact CD1-CE3 4.44Å; F808-W810 HydrophobicContact CD1-CH2 4.35Å; F808-W810 HydrophobicContact CD1-CZ2 4.44Å; F808-W810 HydrophobicContact CD1-CZ3 4.35Å; F808-W810 HydrophobicContact CE1-CE3 4.46Å; F808-W810 HydrophobicContact CE1-CH2 4.28Å; F808-W810 HydrophobicContact CE1-CZ3 4.1Å; F808-W810 PolarHBondContact O-N 2.91Å
809T34.8Very low40.2Very low95 Ų95106.9 Ų106.958%0.58353%0.527SS*.  trans-76108.617055.40000109.5N807 N811 V1460N807-T809 VanDerWaalsContact C-N 3.29Å; N807-T809 PolarHBondContact O-N 3.29Å; T809-N811 PolarHBondContact O-N 3.13Å; T809-V1460 HydrophobicContact CG2-CG1 4.42Å
810W41.8Very low41.8Very low107 Ų10799.9 Ų99.941%0.40550%0.502SS..  trans-54.699.7178.6-61.7103.6000111.9H103 T243 F808 T812 I815H103-W810 AromaticContact CE1-CE2 3.74Å; H103-W810 AromaticContact CE1-CZ2 3.43Å; H103-W810 VanDerWaalsContact CE1-CZ2 3.43Å; H103-W810 WeakPolarHBondContact CE1-CZ2 3.37Å; H103-W810 AromaticContact ND1-CZ2 3.56Å; T243-W810 HydrophobicContact CG2-CH2 3.72Å; T243-W810 HydrophobicContact CG2-CZ2 3.89Å; F808-W810 HydrophobicContact CD1-CE3 4.44Å; F808-W810 HydrophobicContact CD1-CH2 4.35Å; F808-W810 HydrophobicContact CD1-CZ2 4.44Å; F808-W810 HydrophobicContact CD1-CZ3 4.35Å; F808-W810 HydrophobicContact CE1-CE3 4.46Å; F808-W810 HydrophobicContact CE1-CH2 4.28Å; F808-W810 HydrophobicContact CE1-CZ3 4.1Å; F808-W810 PolarHBondContact O-N 2.91Å; W810-T812 VanDerWaalsContact C-N 3.31Å; W810-T812 PolarHBondContact O-N 2.86Å; W810-I815 HydrophobicContact CB-CD1 4.48Å; W810-I815 HydrophobicContact CE3-CD1 3.77Å; W810-I815 HydrophobicContact CZ3-CD1 4.48Å
811N45.7Very low43.6Very low85 Ų85102.6 Ų102.646%0.45551%0.505SS..  trans-76.188.5169.9-176.312.4000107.8T809 M813 F814 I815T809-N811 PolarHBondContact O-N 3.13Å; N811-M813 PolarHBondContact O-N 3.38Å; N811-M813 VanDerWaalsContact O-N 3.09Å; N811-F814 HydrophobicContact CB-CB 4.15Å; N811-F814 WeakPolarHBondContact O-CB 3.34Å; N811-F814 PolarHBondContact O-N 2.99Å; N811-I815 PolarHBondContact O-N 2.93Å
812T46Very low45.5Very low88 Ų8898.8 Ų98.854%0.5449%0.488SS..Hα-helixtrans-49.1-38.6-178.152.10000112.1W810 F814 I815 W816W810-T812 VanDerWaalsContact C-N 3.31Å; W810-T812 PolarHBondContact O-N 2.86Å; T812-F814 VanDerWaalsContact C-N 3.31Å; T812-F814 PolarHBondContact O-N 3Å; T812-I815 PolarHBondContact O-N 2.72Å; T812-I815 VanDerWaalsContact O-N 3.17Å; T812-W816 PolarHBondContact O-N 3.2Å
813M45.8Very low47.6Very low121 Ų12190.8 Ų90.860%0.59645%0.45SS*.Hα-helixtrans-61.7-32.9176.7-161.5179.1-16300113.6N811 N817N811-M813 PolarHBondContact O-N 3.38Å; N811-M813 VanDerWaalsContact O-N 3.09Å; M813-N817 VanDerWaalsContact O-CB 3.29Å; M813-N817 WeakPolarHBondContact O-CB 3.37Å; M813-N817 PolarHBondContact O-N 3.24Å; M813-N817 PolarHBondContact O-ND2 2.99Å; M813-N817 PolarHBondContact O-OD1 2.81Å
814F53Low49.7Very low121 Ų12185.2 Ų85.253%0.53142%0.422SS..Hα-helixtrans-71.7-40.3174.3178.9-93.1000111.6N811 T812 N817 Y818N811-F814 HydrophobicContact CB-CB 4.15Å; N811-F814 WeakPolarHBondContact O-CB 3.34Å; N811-F814 PolarHBondContact O-N 2.99Å; T812-F814 VanDerWaalsContact C-N 3.31Å; T812-F814 PolarHBondContact O-N 3Å; F814-N817 PolarHBondContact O-N 2.92Å; F814-Y818 PolarHBondContact O-N 2.99Å
815I57.3Low51.8Low40 Ų4084.4 Ų84.421%0.20542%0.418CS..Hα-helixtrans-64.7-51.3177.9-50.5169.7000109.6F223 W810 N811 T812 N817 Y818 L819F223-I815 HydrophobicContact CE1-CG2 3.9Å; W810-I815 HydrophobicContact CB-CD1 4.48Å; W810-I815 HydrophobicContact CE3-CD1 3.77Å; W810-I815 HydrophobicContact CZ3-CD1 4.48Å; N811-I815 PolarHBondContact O-N 2.93Å; T812-I815 PolarHBondContact O-N 2.72Å; T812-I815 VanDerWaalsContact O-N 3.17Å; I815-N817 VanDerWaalsContact C-N 3.29Å; I815-N817 PolarHBondContact O-N 2.96Å; I815-Y818 PolarHBondContact O-N 3.27Å; I815-Y818 VanDerWaalsContact O-N 3.16Å; I815-L819 HydrophobicContact CG2-CD1 3.93Å; I815-L819 HydrophobicContact CG2-CG 4.37Å; I815-L819 WeakPolarHBondContact O-CB 3.46Å; I815-L819 WeakPolarHBondContact O-CG 3.38Å; I815-L819 PolarHBondContact O-N 3.45Å
816W57.7Low53.7Low107 Ų10779.7 Ų79.741%0.40540%0.399SS..Hα-helixtrans-56.6-41.5175.5-80.4114000112.3T812 A820 L842T812-W816 PolarHBondContact O-N 3.2Å; W816-A820 WeakPolarHBondContact O-CB 3.5Å; W816-A820 PolarHBondContact O-N 2.73Å; W816-L842 HydrophobicContact CH2-CB 4.44Å; W816-L842 HydrophobicContact CZ3-CB 4.06Å; W816-L842 HydrophobicContact CZ3-CD1 4.06Å
817N57.7Low55.9Low77 Ų7773.5 Ų73.541%0.41237%0.366SS..Hα-helixtrans-65.2-44.7175.1-73.5-4.7000112.5M813 F814 I815 L819 A820 Y821M813-N817 VanDerWaalsContact O-CB 3.29Å; M813-N817 WeakPolarHBondContact O-CB 3.37Å; M813-N817 PolarHBondContact O-N 3.24Å; M813-N817 PolarHBondContact O-ND2 2.99Å; M813-N817 PolarHBondContact O-OD1 2.81Å; F814-N817 PolarHBondContact O-N 2.92Å; I815-N817 VanDerWaalsContact C-N 3.29Å; I815-N817 PolarHBondContact O-N 2.96Å; N817-L819 PolarHBondContact O-N 2.75Å; N817-A820 PolarHBondContact O-N 3.19Å; N817-Y821 HydrophobicContact CB-CD2 4.22Å; N817-Y821 WeakPolarHBondContact O-CB 3.2Å; N817-Y821 VanDerWaalsContact O-CD2 3.28Å; N817-Y821 WeakPolarHBondContact O-CD2 3.36Å; N817-Y821 PolarHBondContact O-N 2.73Å
818Y64.1Low57.8Low51 Ų5169.1 Ų69.120%0.234%0.344CS..Hα-helixtrans-62-43.7177.4176.2-88.4000111.8D218 P224 F814 I815 S822 Y823D218-Y818 PolarHBondContact OD2-OH 3.24Å; P224-Y818 HydrophobicContact CB-CE1 4.35Å; P224-Y818 HydrophobicContact CB-CE2 3.88Å; P224-Y818 VanDerWaalsContact CD-CE1 3.48Å; P224-Y818 HydrophobicContact CG-CD1 4.25Å; P224-Y818 HydrophobicContact CG-CD2 4.08Å; P224-Y818 HydrophobicContact CG-CE1 3.91Å; P224-Y818 HydrophobicContact CG-CE2 3.69Å; P224-Y818 HydrophobicContact CG-CG 4.35Å; F814-Y818 PolarHBondContact O-N 2.99Å; I815-Y818 PolarHBondContact O-N 3.27Å; I815-Y818 VanDerWaalsContact O-N 3.16Å; Y818-S822 WeakPolarHBondContact CD2-OG 3.19Å; Y818-S822 VanDerWaalsContact CE2-OG 3.27Å; Y818-S822 WeakPolarHBondContact CE2-OG 3.16Å; Y818-S822 PolarHBondContact O-N 2.79Å; Y818-S822 PolarHBondContact O-OG 3.25Å; Y818-Y823 PolarHBondContact O-N 2.84Å; Y818-Y823 VanDerWaalsContact O-N 3.13Å
819L66.2Low59.5Low4 Ų469.8 Ų69.82%0.02135%0.347CS..Iπ-helixtrans-61.3-50.6176.9-69.6172.4000110.5I815 N817 Y823 W824I815-L819 HydrophobicContact CG2-CD1 3.93Å; I815-L819 HydrophobicContact CG2-CG 4.37Å; I815-L819 WeakPolarHBondContact O-CB 3.46Å; I815-L819 WeakPolarHBondContact O-CG 3.38Å; I815-L819 PolarHBondContact O-N 3.45Å; N817-L819 PolarHBondContact O-N 2.75Å; L819-Y823 HydrophobicContact CD2-CG 4.26Å; L819-Y823 PolarHBondContact O-N 2.78Å; L819-W824 VanDerWaalsContact C-CD1 3.5Å; L819-W824 HydrophobicContact CB-CZ2 3.95Å; L819-W824 HydrophobicContact CD1-CZ2 4.15Å; L819-W824 HydrophobicContact CD2-CH2 4.16Å; L819-W824 HydrophobicContact CD2-CZ2 3.96Å; L819-W824 HydrophobicContact CG-CZ2 4.24Å; L819-W824 VanDerWaalsContact O-CG 3.26Å; L819-W824 PolarHBondContact O-N 2.91Å
820A60.3Low61Low45 Ų4568.5 Ų68.537%0.37233%0.334SS..Iπ-helixtrans-65-41.1-17900000114.8W816 N817 P825W816-A820 WeakPolarHBondContact O-CB 3.5Å; W816-A820 PolarHBondContact O-N 2.73Å; N817-A820 PolarHBondContact O-N 3.19Å; A820-P825 WeakPolarHBondContact O-CD 3.46Å; A820-P825 WeakPolarHBondContact O-CG 3.4Å
821Y63.7Low62.2Low188 Ų18865 Ų6574%0.73732%0.321SS*.Iπ-helixtrans-99.3-19.2-171.2-69.6-66.3000115.2N817N817-Y821 HydrophobicContact CB-CD2 4.22Å; N817-Y821 WeakPolarHBondContact O-CB 3.2Å; N817-Y821 VanDerWaalsContact O-CD2 3.28Å; N817-Y821 WeakPolarHBondContact O-CD2 3.36Å; N817-Y821 PolarHBondContact O-N 2.73Å
822S66Low63Low43 Ų4366.8 Ų66.830%0.30133%0.33SS..Iπ-helixtrans-126.6-45.4-179.536.70000114.6Y818 S826Y818-S822 WeakPolarHBondContact CD2-OG 3.19Å; Y818-S822 VanDerWaalsContact CE2-OG 3.27Å; Y818-S822 WeakPolarHBondContact CE2-OG 3.16Å; Y818-S822 PolarHBondContact O-N 2.79Å; Y818-S822 PolarHBondContact O-OG 3.25Å; S822-S826 VanDerWaalsContact O-CB 3.24Å; S822-S826 WeakPolarHBondContact O-CB 3.45Å; S822-S826 PolarHBondContact O-N 3.21Å; S822-S826 PolarHBondContact O-OG 3.03Å
823Y70.7Confident63.8Low5 Ų564.8 Ų64.82%0.0232%0.316CS..Iπ-helixtrans-74.3-58.5-175.4-174-74.4000112.1L184 D218 L219 G222 T247 Y818 L819 S826 L827L184-Y823 WeakPolarHBondContact CD1-OH 3.37Å; D218-Y823 VanDerWaalsContact O-CE2 3.27Å; D218-Y823 WeakPolarHBondContact O-CE2 3.36Å; L219-Y823 HydrophobicContact CD1-CE1 4.23Å; L219-Y823 HydrophobicContact CD1-CE2 4.16Å; L219-Y823 VanDerWaalsContact O-CE2 3.27Å; L219-Y823 WeakPolarHBondContact O-CE2 3.46Å; L219-Y823 VanDerWaalsContact O-CZ 3.32Å; L219-Y823 PolarHBondContact O-OH 2.72Å; G222-Y823 VanDerWaalsContact CA-CE2 3.46Å; T247-Y823 PolarHBondContact OG1-OH 3.03Å; Y818-Y823 PolarHBondContact O-N 2.84Å; Y818-Y823 VanDerWaalsContact O-N 3.13Å; L819-Y823 HydrophobicContact CD2-CG 4.26Å; L819-Y823 PolarHBondContact O-N 2.78Å; Y823-S826 WeakPolarHBondContact O-CB 3.4Å; Y823-S826 PolarHBondContact O-N 2.97Å; Y823-L827 PolarHBondContact O-N 3.06Å
824W71Confident64.3Low22 Ų2262.8 Ų62.88%0.08331%0.314CS..Hα-helixtrans-61.5-39.3-177.4-46.3137.8000112.7M97 Q99 T247 L819 S826 L827 A828 L840 L842M97-W824 HydrophobicContact CE-CD2 4.49Å; M97-W824 HydrophobicContact CE-CE3 3.55Å; M97-W824 HydrophobicContact CE-CH2 4.35Å; M97-W824 HydrophobicContact CE-CZ3 3.49Å; M97-W824 VanDerWaalsContact CE-CZ3 3.49Å; M97-W824 HydrophobicContact CG-CH2 4.05Å; M97-W824 HydrophobicContact CG-CZ3 4.11Å; M97-W824 HydrophobicContact SD-CD2 3.63Å; M97-W824 HydrophobicContact SD-CE3 3.18Å; M97-W824 HydrophobicContact SD-CH2 3.54Å; M97-W824 VanDerWaalsContact SD-CH2 3.54Å; M97-W824 HydrophobicContact SD-CZ2 3.91Å; M97-W824 HydrophobicContact SD-CZ3 3.16Å; M97-W824 WeakPolarHBondContact SD-CZ3 3.49Å; Q99-W824 HydrophobicContact CG-CH2 3.85Å; T247-W824 HydrophobicContact CG2-CZ3 4.08Å; L819-W824 VanDerWaalsContact C-CD1 3.5Å; L819-W824 HydrophobicContact CB-CZ2 3.95Å; L819-W824 HydrophobicContact CD1-CZ2 4.15Å; L819-W824 HydrophobicContact CD2-CH2 4.16Å; L819-W824 HydrophobicContact CD2-CZ2 3.96Å; L819-W824 HydrophobicContact CG-CZ2 4.24Å; L819-W824 VanDerWaalsContact O-CG 3.26Å; L819-W824 PolarHBondContact O-N 2.91Å; W824-S826 PolarHBondContact O-N 3.4Å; W824-L827 PolarHBondContact O-N 2.87Å; W824-A828 WeakPolarHBondContact O-CB 3.4Å; W824-A828 PolarHBondContact O-N 2.78Å; W824-L840 HydrophobicContact CB-CD2 4.49Å; W824-L842 HydrophobicContact CD2-CD2 4.25Å; W824-L842 VanDerWaalsContact CE2-CD2 3.49Å; W824-L842 HydrophobicContact CZ2-CD2 3.7Å; W824-L842 VanDerWaalsContact NE1-CD2 3.33Å
825P69.1Low64.4Low57 Ų5760.6 Ų60.637%0.3731%0.308SS..Hα-helixtrans-64.7-35.2172.7-24.536.7000113.4A820 K829A820-P825 WeakPolarHBondContact O-CD 3.46Å; A820-P825 WeakPolarHBondContact O-CG 3.4Å; P825-K829 WeakPolarHBondContact O-CB 3.16Å; P825-K829 PolarHBondContact O-N 2.83Å
826S69.3Low64Low30 Ų3063.5 Ų63.521%0.2133%0.327CS..Hα-helixtrans-66.1-42.1173.9-64.20000111.3S822 Y823 W824 K829 H830S822-S826 VanDerWaalsContact O-CB 3.24Å; S822-S826 WeakPolarHBondContact O-CB 3.45Å; S822-S826 PolarHBondContact O-N 3.21Å; S822-S826 PolarHBondContact O-OG 3.03Å; Y823-S826 WeakPolarHBondContact O-CB 3.4Å; Y823-S826 PolarHBondContact O-N 2.97Å; W824-S826 PolarHBondContact O-N 3.4Å; S826-K829 PolarHBondContact O-N 2.85Å; S826-H830 PolarHBondContact O-N 2.84Å; S826-H830 VanDerWaalsContact O-N 3.09Å; S826-H830 PolarHBondContact O-ND1 2.84Å
827L72.4Confident63.3Low8 Ų861.6 Ų61.64%0.04234%0.341CS..Hα-helixtrans-60.5-49.1175.1-179.862.4000111.4M97 L184 L219 Y823 W824 K829 H830 Y831M97-L827 HydrophobicContact CE-CD2 3.56Å; L184-L827 HydrophobicContact CD1-CD1 3.75Å; L184-L827 HydrophobicContact CD1-CD2 4.44Å; L219-L827 HydrophobicContact CD1-CB 4.01Å; L219-L827 HydrophobicContact CD1-CD1 4.09Å; Y823-L827 PolarHBondContact O-N 3.06Å; W824-L827 PolarHBondContact O-N 2.87Å; L827-K829 VanDerWaalsContact C-N 3.28Å; L827-K829 PolarHBondContact O-N 3.36Å; L827-H830 PolarHBondContact O-N 2.81Å; L827-H830 VanDerWaalsContact O-N 3.15Å; L827-Y831 HydrophobicContact CD1-CD2 3.66Å; L827-Y831 HydrophobicContact CD1-CE2 3.67Å; L827-Y831 HydrophobicContact CG-CD2 4.47Å; L827-Y831 PolarHBondContact O-N 3.45Å
828A68.2Low62.8Low12 Ų1260.5 Ų60.510%0.09934%0.338CS..Hα-helixtrans-58.9-39.3177.700000112W824 Y831 N832 L833 L835W824-A828 WeakPolarHBondContact O-CB 3.4Å; W824-A828 PolarHBondContact O-N 2.78Å; A828-Y831 PolarHBondContact O-N 2.6Å; A828-N832 PolarHBondContact O-N 3.25Å; A828-L833 HydrophobicContact CB-CB 4.18Å; A828-L833 PolarHBondContact O-N 3.44Å; A828-L835 HydrophobicContact CB-CD1 3.76Å; A828-L835 HydrophobicContact CB-CG 4.37Å
829K69.4Low62.2Low160 Ų16063.8 Ų63.870%0.69636%0.355SS*.Hα-helixtrans-62.2-44.1174.3-166.5-163.2175-150.90112.5P825 S826 L827 Y831 N832P825-K829 WeakPolarHBondContact O-CB 3.16Å; P825-K829 PolarHBondContact O-N 2.83Å; S826-K829 PolarHBondContact O-N 2.85Å; L827-K829 VanDerWaalsContact C-N 3.28Å; L827-K829 PolarHBondContact O-N 3.36Å; K829-Y831 VanDerWaalsContact C-N 3.3Å; K829-Y831 PolarHBondContact O-N 2.98Å; K829-N832 PolarHBondContact O-N 2.77Å
830H66.1Low61.9Low67 Ų6766.3 Ų66.331%0.3137%0.369SS..Hα-helixtrans-68.7-25.7-177.5-76.579.8000113.9S826 L827S826-H830 PolarHBondContact O-N 2.84Å; S826-H830 VanDerWaalsContact O-N 3.09Å; S826-H830 PolarHBondContact O-ND1 2.84Å; L827-H830 PolarHBondContact O-N 2.81Å; L827-H830 VanDerWaalsContact O-N 3.15Å
831Y66Low61.7Low34 Ų3465.7 Ų65.713%0.13336%0.363CS..THydrogen-bonded Turntrans-106.911.7177.7-72.8-83.4000113.5V158 P177 L182 L827 A828 K829 L833V158-Y831 HydrophobicContact CG1-CD1 4.09Å; V158-Y831 HydrophobicContact CG1-CE1 3.96Å; V158-Y831 HydrophobicContact CG2-CD1 4.27Å; V158-Y831 HydrophobicContact CG2-CE1 3.96Å; P177-Y831 WeakPolarHBondContact CD-OH 3.08Å; P177-Y831 PolarHBondContact O-OH 2.79Å; L182-Y831 HydrophobicContact CD1-CD2 4.27Å; L182-Y831 HydrophobicContact CD1-CE1 4.1Å; L182-Y831 HydrophobicContact CD1-CE2 3.67Å; L827-Y831 HydrophobicContact CD1-CD2 3.66Å; L827-Y831 HydrophobicContact CD1-CE2 3.67Å; L827-Y831 HydrophobicContact CG-CD2 4.47Å; L827-Y831 PolarHBondContact O-N 3.45Å; A828-Y831 PolarHBondContact O-N 2.6Å; K829-Y831 VanDerWaalsContact C-N 3.3Å; K829-Y831 PolarHBondContact O-N 2.98Å; Y831-L833 PolarHBondContact O-N 2.93Å; Y831-L833 VanDerWaalsContact O-N 3.14Å
832N62.9Low61.6Low122 Ų12260 Ų6065%0.65235%0.345SS*.THydrogen-bonded Turntrans51.233.6-178.7-159.718.7000114.3A828 K829 S834A828-N832 PolarHBondContact O-N 3.25Å; K829-N832 PolarHBondContact O-N 2.77Å; N832-S834 PolarHBondContact O-N 2.89Å
833L63.1Low61.6Low47 Ų4759.6 Ų59.625%0.24634%0.339CS..  trans-78.7106.8-176.3-67.4173.1000110.5L94 F156 A828 Y831 L835L94-L833 HydrophobicContact CD2-CB 4.48Å; F156-L833 HydrophobicContact CE1-CD2 4.39Å; F156-L833 HydrophobicContact CZ-CD2 4.01Å; A828-L833 HydrophobicContact CB-CB 4.18Å; A828-L833 PolarHBondContact O-N 3.44Å; Y831-L833 PolarHBondContact O-N 2.93Å; Y831-L833 VanDerWaalsContact O-N 3.14Å; L833-L835 PolarHBondContact O-N 3.39Å; L833-L835 VanDerWaalsContact O-N 3.13Å
834S56.5Low61.1Low78 Ų7866.3 Ų66.355%0.54537%0.371SS..  trans-67.3109.9173.1-174.70000111N832 V836N832-S834 PolarHBondContact O-N 2.89Å; S834-V836 PolarHBondContact OG-N 3.05Å
835L54.8Low60.8Low76 Ų7667.1 Ų67.140%0.39838%0.379SS..  trans-84.44.9172.4-70.5164.7000112.7L94 A828 L833 G837 C838L94-L835 HydrophobicContact CD2-CD2 3.81Å; A828-L835 HydrophobicContact CB-CD1 3.76Å; A828-L835 HydrophobicContact CB-CG 4.37Å; L833-L835 PolarHBondContact O-N 3.39Å; L833-L835 VanDerWaalsContact O-N 3.13Å; L835-G837 PolarHBondContact O-N 2.87Å; L835-G837 VanDerWaalsContact O-N 3.12Å; L835-C838 PolarHBondContact O-N 3.48Å
836V48.1Very low60.7Low100 Ų10065.4 Ų65.461%0.60637%0.367SS*.THydrogen-bonded Turntrans-74.5104.5-177-1770000109.9F85 S834F85-V836 HydrophobicContact CE2-CG1 4.31Å; F85-V836 HydrophobicContact CZ-CG1 4.26Å; S834-V836 PolarHBondContact OG-N 3.05Å
837G44.2Very low60.6Low68 Ų6868.2 Ų68.270%0.70138%0.377SS*.THydrogen-bonded Turntrans89.8-7.2-178.300000114.8L835L835-G837 PolarHBondContact O-N 2.87Å; L835-G837 VanDerWaalsContact O-N 3.12Å
838C46.7Very low60.4Low54 Ų5468.4 Ų68.437%0.36538%0.378SS..  trans-105.5148.5-175-640000112.4L94 L835L94-C838 HydrophobicContact CB-CB 4.17Å; L94-C838 HydrophobicContact CD1-CB 4.17Å; L835-C838 PolarHBondContact O-N 3.48Å
839H51.5Low60.3Low119 Ų11972.6 Ų72.655%0.55139%0.394SS*.  trans-110.5133.1176.4-63.5-43.8000112F78 L94F78-H839 AromaticContact CZ-CE1 3.79Å; F78-H839 AromaticContact CZ-NE2 3.55Å; L94-H839 PolarHBondContact N-O 3.17Å
840L59.2Low60.1Low58 Ų5865.8 Ų65.830%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-98.4128.2168.5-176.773.5000108.8M97 W824 L842M97-L840 HydrophobicContact SD-CD2 3.92Å; W824-L840 HydrophobicContact CB-CD2 4.49Å; L840-L842 HydrophobicContact CD2-CD2 4.36Å
841A57Low59.8Low31 Ų3166.8 Ų66.826%0.25637%0.368SS..EExtended strand (participates in β ladder)trans-99.7114.4-178.900000111.1G95 Y96 M97G95-A841 PolarHBondContact O-N 2.89Å; Y96-A841 CarbonylContact C-O 3.45Å; Y96-A841 WeakPolarHBondContact CA-O 3.43Å; Y96-A841 HydrophobicContact CD1-CB 3.33Å; Y96-A841 HydrophobicContact CE1-CB 3.57Å; Y96-A841 HydrophobicContact CG-CB 4.14Å; M97-A841 PolarHBondContact N-O 2.99Å
842L62Low59.7Low70 Ų7066.1 Ų66.137%0.36637%0.366SS..EExtended strand (participates in β ladder)trans-88.9123.3179.9-63.7166.6000110M97 W816 W824 L840M97-L842 HydrophobicContact CB-CD2 4.15Å; M97-L842 HydrophobicContact CG-CD2 4.08Å; M97-L842 HydrophobicContact SD-CD2 3.79Å; W816-L842 HydrophobicContact CH2-CB 4.44Å; W816-L842 HydrophobicContact CZ3-CB 4.06Å; W816-L842 HydrophobicContact CZ3-CD1 4.06Å; W824-L842 HydrophobicContact CD2-CD2 4.25Å; W824-L842 VanDerWaalsContact CE2-CD2 3.49Å; W824-L842 HydrophobicContact CZ2-CD2 3.7Å; W824-L842 VanDerWaalsContact NE1-CD2 3.33Å; L840-L842 HydrophobicContact CD2-CD2 4.36Å
843L65.2Low59.4Low33 Ų3366.6 Ų66.617%0.17336%0.364CS..PPolyproline II helixtrans-91162.8177.9-56.9178.9000111Y96 M97 L98 Y253 F258Y96-L843 HydrophobicContact CD1-CD2 4.45Å; M97-L843 WeakPolarHBondContact O-CB 3.21Å; M97-L843 PolarHBondContact O-N 3.34Å; L98-L843 HydrophobicContact CB-CD1 4.29Å; L98-L843 HydrophobicContact CD1-CB 4.03Å; L98-L843 HydrophobicContact CD1-CD1 4.46Å; Y253-L843 HydrophobicContact CD2-CD1 4.22Å; Y253-L843 HydrophobicContact CD2-CD2 3.81Å; Y253-L843 HydrophobicContact CE2-CD1 4.25Å; Y253-L843 HydrophobicContact CE2-CD2 3.59Å; F258-L843 HydrophobicContact CD1-CD1 4.26Å; F258-L843 HydrophobicContact CE1-CD1 3.69Å; F258-L843 HydrophobicContact CE2-CD1 4.06Å; F258-L843 HydrophobicContact CZ-CD1 3.6Å
844E60.3Low59.2Low146 Ų14666.4 Ų66.468%0.68236%0.363SS*.PPolyproline II helixtrans-67.3133177.5-63.9-173.316000111.1L98L98-E844 WeakPolarHBondContact CD1-O 3.48Å
845P64.7Low58.9Low39 Ų3968.7 Ų68.725%0.25337%0.368SS..PPolyproline II helixtrans-74134.3-176.328.8-34.6000112.4Q99 V101Q99-P845 HydrophobicContact CB-CB 4.21Å; Q99-P845 CarbonylContact O-C 3.45Å; Q99-P845 VanDerWaalsContact O-CA 3.29Å; Q99-P845 WeakPolarHBondContact O-CA 3.32Å; V101-P845 HydrophobicContact CG2-CB 3.98Å
846V66.7Low58.5Low21 Ų2166.6 Ų66.613%0.12736%0.357CS..EExtended strand (participates in β ladder)trans-80.3120.1174.2179.70000109.1L98 Q99 I100 V101 L848L98-V846 HydrophobicContact CD1-CG2 4.34Å; Q99-V846 PolarHBondContact O-N 3.09Å; I100-V846 CarbonylContact C-O 3.53Å; I100-V846 WeakPolarHBondContact CA-O 3.28Å; I100-V846 HydrophobicContact CG1-CB 4.44Å; I100-V846 HydrophobicContact CG2-CB 4.47Å; V101-V846 PolarHBondContact N-O 2.89Å; V846-L848 HydrophobicContact CG1-CD2 4.4Å
847H66.8Low58.1Low89 Ų8967.1 Ų67.141%0.41237%0.365SS..EExtended strand (participates in β ladder)trans-99111.5-179.1-74.5-54000112.7V101 H103 L299V101-H847 WeakPolarHBondContact CB-ND1 3.41Å; V101-H847 WeakPolarHBondContact O-CA 3.16Å; H103-H847 AromaticContact NE2-ND1 3.52Å; L299-H847 VanDerWaalsContact CD1-O 3.3Å; L299-H847 WeakPolarHBondContact CD1-O 3.25Å
848L69.1Low57.6Low13 Ų1370.6 Ų70.67%0.06837%0.368CS..EExtended strand (participates in β ladder)trans-103.1149.6173.3-59.1178.6000110.6I100 V101 T102 H103 I130 V846 Y850I100-L848 HydrophobicContact CG2-CD1 3.59Å; I100-L848 HydrophobicContact CG2-CG 4.06Å; V101-L848 PolarHBondContact O-N 3.17Å; T102-L848 CarbonylContact C-O 3.58Å; T102-L848 WeakPolarHBondContact CA-O 3.46Å; T102-L848 HydrophobicContact CG2-CB 4.42Å; H103-L848 PolarHBondContact CD2-O 3.04Å; H103-L848 PolarHBondContact N-O 3Å; I130-L848 HydrophobicContact CD1-CD1 4.45Å; V846-L848 HydrophobicContact CG1-CD2 4.4Å; L848-Y850 HydrophobicContact CB-CE2 3.79Å
849K64.9Low56.9Low99 Ų9977.6 Ų77.643%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-144.8126.9-174.3-173.4179.5-178.7-1780112.9H103H103-K849 HydrophobicContact CB-CB 4.33Å; H103-K849 HydrophobicContact CB-CG 4.15Å; H103-K849 WeakPolarHBondContact O-CA 3.37Å
850Y66.8Low55.8Low18 Ų1875.8 Ų75.87%0.07141%0.408CS..EExtended strand (participates in β ladder)trans-126.8167.8-171.9-55-95.4000112.1T102 H103 K105 Q126 M269 L848T102-Y850 HydrophobicContact CG2-CE2 4.16Å; H103-Y850 PolarHBondContact O-N 2.76Å; K105-Y850 PolarHBondContact N-O 3.37Å; Q126-Y850 VanDerWaalsContact NE2-CE2 3.33Å; M269-Y850 HydrophobicContact CE-CE1 3.69Å; L848-Y850 HydrophobicContact CB-CE2 3.79Å
851K59.6Low54.4Low88 Ų8881.3 Ų81.338%0.38344%0.436SS..EExtended strand (participates in β ladder)trans-144.494.9-178.2-173.2-169.9176.4-1630110.6K105 I107 H853K105-K851 CarbonylContact O-C 3.55Å; K105-K851 VanDerWaalsContact O-CA 3.29Å; K105-K851 WeakPolarHBondContact O-CA 3.44Å; I107-K851 HydrophobicContact CD1-CD 4.39Å; I107-K851 HydrophobicContact CD1-CG 4.04Å; K851-H853 WeakPolarHBondContact CE-NE2 3.31Å; K851-H853 PolarHBondContact NZ-NE2 3.42Å
852L64Low53Low20 Ų2083.3 Ų83.311%0.10546%0.46CS..EExtended strand (participates in β ladder)trans-80.2136.8172.8-94.674.5000110.2K105 I106 I107K105-L852 PolarHBondContact O-N 2.85Å; I106-L852 HydrophobicContact CG1-CB 4.43Å; I107-L852 PolarHBondContact N-O 2.81Å
853H56.7Low51.4Low131 Ų13188.8 Ų88.861%0.60649%0.486SS*.EExtended strand (participates in β ladder)trans-115.1121.6165.9-77.7-87.6000108.9K851K851-H853 WeakPolarHBondContact CE-NE2 3.31Å; K851-H853 PolarHBondContact NZ-NE2 3.42Å
854I57.4Low49.6Very low43 Ų4391.3 Ų91.322%0.22151%0.507CS..EExtended strand (participates in β ladder)trans-100.4124.6177.7-57.8175.1000108.5I106 I107 T108 T119I106-I854 HydrophobicContact CG2-CD1 3.62Å; I106-I854 HydrophobicContact CG2-CG1 4.26Å; I107-I854 PolarHBondContact O-N 3.01Å; T108-I854 HydrophobicContact CG2-CB 4.37Å; T108-I854 HydrophobicContact CG2-CD1 4.27Å; T119-I854 HydrophobicContact CG2-CD1 4.05Å; T119-I854 VanDerWaalsContact OG1-CD1 3.24Å; T119-I854 WeakPolarHBondContact OG1-CD1 3.35Å
855I51.2Low48.1Very low127 Ų12790.9 Ų90.965%0.65151%0.509SS*.  trans-94.5103.6175.6-57.3178.7000107.8S857I855-S857 PolarHBondContact O-N 2.7Å
856D47.2Very low46.4Very low31 Ų3196 Ų9617%0.16653%0.533CS..  trans-60.4122.9169.3-66.1-42.4000109.7T110 K112 D858T110-D856 PolarHBondContact N-OD2 3.1Å; T110-D856 PolarHBondContact OG1-OD2 2.84Å; K112-D856 WeakPolarHBondContact CE-OD1 3.49Å; K112-D856 IonicContact NZ-OD1 3.65Å; K112-D856 PolarHBondContact NZ-OD1 3.02Å; D856-D858 PolarHBondContact O-N 3.12Å
857S39Very low44.5Very low112 Ų112103.2 Ų103.278%0.78357%0.565SS**  trans-99.159.3-177.759.60000112.6I855I855-S857 PolarHBondContact O-N 2.7Å
858D34.6Very low42.4Very low141 Ų141102.7 Ų102.775%0.75457%0.572SS**  trans-142.272.8-176.9-85.7-52.6000112.2D856D856-D858 PolarHBondContact O-N 3.12Å
859Q31Very low40.3Very low201 Ų201108.7 Ų108.794%0.93960%0.603SS**  trans-149.694.8159.8-75.7-155.8-44.600112.5
860G28.1Very low38.4Very low80 Ų80112.5 Ų112.583%0.82562%0.623SS**  trans66.893.7142.800000120.1
861I30.5Very low36.3Very low174 Ų174121.6 Ų121.689%0.89266%0.663SS**  trans-127.5129135.6-60.3-179.2000106.8
862G26.1Very low34.6Very low73 Ų73126.4 Ų126.475%0.75369%0.687SS**  trans-111.3117172.100000110.2
863M30.2Very low32.6Very low185 Ų185130 Ų13091%0.91171%0.714SS**  trans-153.4155.5163.2-144.569.6179.600107.9
864S27.4Very low30.9Very low87 Ų87130.5 Ų130.561%0.60872%0.719SS**  trans-108.4171-167.254.80000114.3
865D27.4Very low29.3Very low137 Ų137133.3 Ų133.373%0.73374%0.743SS**  trans79158.9154.8-50.1-51.6000119.8
866I29.1Very low28Very low146 Ų146137.3 Ų137.375%0.74975%0.751SS**  trans71.495.1171.9-56.8164.5000112
867Q26.6Very low26.8Very low173 Ų173143.6 Ų143.681%0.80878%0.784SS**  53.9138.393.9-69.8-177.2-95.600113.5
868S23.6Very low26Very low78 Ų78143.1 Ų143.155%0.54578%0.781SS.*  cis167.3167.5-13.2510000103.6
869D25.2Very low25.5Very low138 Ų138146.9 Ų146.974%0.73879%0.79SS**  trans77.9141.3162.4-55.8-62.9000120.9
870Q25.2Very low25.2Very low180 Ų180145.8 Ų145.884%0.84179%0.785SS**  trans59.766.8154.5-64.8178.411.900119.7E872Q870-E872 PolarHBondContact O-N 2.65Å; Q870-E872 VanDerWaalsContact O-N 3.13Å
871K22.2Very low24.9Very low209 Ų209148.7 Ų148.791%0.90978%0.782SS**  14.685.6104.8-172.6-164.6-178.3-178.30115.9
872E23.2Very low24.6Very low189 Ų189146.1 Ų146.188%0.88377%0.766SS**  trans-150.8157.3147.3-132.2165.8-135.100113Q870Q870-E872 PolarHBondContact O-N 2.65Å; Q870-E872 VanDerWaalsContact O-N 3.13Å
873S22Very low24.4Very low96 Ų96151.9 Ų151.967%0.67177%0.765SS**  trans-80155.4-172.251.50000114.2
874I22.7Very low24.1Very low141 Ų141148.1 Ų148.172%0.72375%0.753SS**  -177.8153.5120.2-93.2153000111.3Y876I874-Y876 HydrophobicContact CG2-CD2 4.39Å; I874-Y876 HydrophobicContact CG2-CE2 3.73Å
875S23.7Very low24Very low102 Ų102150.8 Ų150.871%0.71376%0.76SS**  trans-95.1149.6-176.355.60000114.1
876Y23.2Very low23.9Very low210 Ų210150.1 Ų150.182%0.82476%0.756SS**  trans-138.7118162.2-76.9-72.6000114.6I874I874-Y876 HydrophobicContact CG2-CD2 4.39Å; I874-Y876 HydrophobicContact CG2-CE2 3.73Å
877L22.3Very low23.8Very low164 Ų164149.9 Ų149.986%0.85975%0.752SS**  trans-73.8153.1130.7-86.877.1000107.9
878S22.4Very low23.8Very low102 Ų102146.8 Ų146.871%0.71374%0.741SS**  -161.2149.3125.159.10000112.1
879F23.9Very low24Very low219 Ų219148.3 Ų148.396%0.96174%0.743SS**  trans-120.6103.3158.9-150.4-70.4000103.2
880E23.8Very low24.2Very low178 Ų178148.3 Ų148.383%0.83274%0.738SS**  trans-147.8171.1-179.3-141.9160.5-152.900111.5
881N22Very low24.2Very low141 Ų141145.6 Ų145.675%0.75473%0.728SS**  trans-101150.3-136.5-121.7-9.9000115.6
882E23.8Very low24.4Very low121 Ų121141.6 Ų141.657%0.56571%0.713SS**  trans66.7133.2144.6-75.5-154.4111.500122.3
883R22.8Very low24.5Very low194 Ų194139.6 Ų139.673%0.73270%0.702SS**  trans72150.7144.1-64.9169.4-162.2173.812.5116.8
884T24.1Very low24.7Very low106 Ų106140.9 Ų140.965%0.6570%0.7SS**  cis-165.9147.6-4.215.30000109.6
885L24.5Very low25Very low143 Ų143139.8 Ų139.875%0.74970%0.695SS**  trans61.8166.4161.8-8066.1000112.8
886D26.4Very low25.3Very low123 Ų123140.4 Ų140.466%0.65869%0.691SS**  cis-162.1160-22.6-102.1-5.7000105.2
887E27.3Very low25.8Very low141 Ų141137.1 Ų137.166%0.65969%0.687SS**  cis-158.8-164.7-0.2-136.1-175.7165.800107.2
888N26.7Very low26.2Very low107 Ų107135.5 Ų135.557%0.57268%0.68SS**  trans33.2126.5138.1-63.3-23.5000119.1
889N27.6Very low26.5Very low111 Ų111136.2 Ų136.259%0.59468%0.675SS**  cis171.4167.830.1-101.5-21.9000105.7
890H27.6Very low26.5Very low137 Ų137132.1 Ų132.163%0.63466%0.664SS**  cis-141.5144.7-6.3-97.9-48.4000104.6
891L25.7Very low26.7Very low123 Ų123131.2 Ų131.264%0.64466%0.663SS**  45.6112.883.9-72.1156.8000111.1
892H26.3Very low26.8Very low125 Ų125131 Ų13158%0.57966%0.661SS**  170.6166.579.3-95.3-43.4000108.3
893F25.4Very low26.8Very low148 Ų148132.3 Ų132.365%0.64967%0.67SS**  cis-164.9159.78.3-123.9-33.5000110.3
894I27.5Very low26.9Very low123 Ų123127.3 Ų127.363%0.63167%0.665SS**  trans53.2134.8138.1-75161.3000119.1
895N27.1Very low26.9Very low118 Ų118130.2 Ų130.263%0.63168%0.676SS**  cis-176.7-177.9-8.2-108.615.2000105.2
896D30.4Very low27Very low115 Ų115130.2 Ų130.262%0.61568%0.682SS**  cis-153.6175.90.6-116.1-28.6000107.4
897D33.4Very low26.9Very low140 Ų140134.9 Ų134.975%0.74969%0.69SS**  trans59.7128.6153.8-62.8-7.2000120.8
898D32.5Very low26.7Very low131 Ų131138.4 Ų138.470%0.70170%0.698SS**  cis-155.3162.2-16.2-155.86.3000112.3
899N26.9Very low26.6Very low117 Ų117142.1 Ų142.163%0.62671%0.709SS**  trans-20.3131.5171.9-82.1-75.9000119.8
900N25.7Very low26.4Very low133 Ų133147.7 Ų147.771%0.71172%0.721SS**  29.7126.7106.4-60.1-57.2000118
901I26.1Very low26.4Very low159 Ų159148.7 Ų148.782%0.81573%0.731SS**  trans-169.9141131.7-108.4155.2000114.2
902L25Very low26.3Very low136 Ų136151.4 Ų151.471%0.71274%0.74SS**  trans42.7117167.8-83.163.3000119.1
903I24.5Very low26.4Very low149 Ų149150.5 Ų150.576%0.76475%0.754SS**  79.6142.659.9-66.1163.1000114.3
904S24.7Very low26.4Very low88 Ų88146 Ų14662%0.61574%0.741SS**  trans84.996.3163.7710000120.7V906S904-V906 PolarHBondContact O-N 2.8Å
905N23.7Very low26.4Very low167 Ų167145.9 Ų145.989%0.89375%0.751SS**  38.878.4110.2-63.1-20000118.7
906V27.5Very low26.4Very low144 Ų144143.4 Ų143.487%0.87374%0.74SS**  trans-126.5124156.6-175.30000112.4S904S904-V906 PolarHBondContact O-N 2.8Å
907R22.7Very low26.1Very low221 Ų221143.1 Ų143.183%0.83475%0.747SS**  trans-68.3136.3-176.1-70.8168.2162.4162.3-7114
908R24.2Very low25.9Very low215 Ų215140.9 Ų140.981%0.81174%0.74SS**  52.895.2127.5-172.7-157.1-68.9177.4-6117.7
909K23.5Very low25.7Very low185 Ų185137.8 Ų137.880%0.80474%0.739SS**  trans179.8141.8139.2-104.7154.5-174.9174.30114.2
910R24.6Very low25.8Very low227 Ų227135.1 Ų135.186%0.85774%0.74SS**  trans69.6148.7166.8-58.8163.5-179.1158.4-2.5114.2
911L26.2Very low26.2Very low159 Ų159136.8 Ų136.883%0.83274%0.741SS**  cis-145131.72-135.7158.4000109.4
912H24.9Very low26.8Very low180 Ų180134.1 Ų134.183%0.83373%0.732SS**  trans-87.3145.9176.8-69.1-90.5000111.6
913A28.2Very low27.4Very low105 Ų105130.1 Ų130.187%0.86872%0.724SS**  trans-138.7100.2165.300000109.4
914S25.4Very low28Very low55 Ų55132.7 Ų132.739%0.38572%0.724SS.*  trans-96.7128-179.649.80000111
915S26.8Very low28.8Very low119 Ų119131 Ų13183%0.83271%0.71SS**  trans-102.278.7176.560.40000111.8
916T26.6Very low29.4Very low67 Ų67126.5 Ų126.541%0.41170%0.696SS.*  trans-75.6165.7168.240.90000111.5Y307 D310Y307-T916 HydrophobicContact CD2-CG2 4.31Å; D310-T916 PolarHBondContact OD1-OG1 2.84Å
917S25Very low30.1Very low108 Ų108127.4 Ų127.476%0.75568%0.684SS**  trans-91.1137.1-164.149.50000114.2G919S917-G919 VanDerWaalsContact C-N 3.34Å; S917-G919 PolarHBondContact O-N 2.87Å
918P29.7Very low31Very low93 Ų93121.1 Ų121.160%0.60467%0.666SS**  trans-83.274.1176.833.5-34.8000111.8
919G27.7Very low31.9Very low66 Ų66112.7 Ų112.768%0.6865%0.646SS**  trans-113.1126.2170.600000112.1S917S917-G919 VanDerWaalsContact C-N 3.34Å; S917-G919 PolarHBondContact O-N 2.87Å
920G28.8Very low32.6Very low62 Ų62110 Ų11064%0.63964%0.64SS**SBendtrans84145.4166.900000117.5T922G920-T922 VanDerWaalsContact C-N 3.31Å; G920-T922 PolarHBondContact O-N 3.47Å; G920-T922 PolarHBondContact O-OG1 3.41Å
921F34.3Very low33.5Very low167 Ų167103.4 Ų103.473%0.73263%0.625SS**SBendtrans48.5-37.9158-113.5-105.6000123G923 W924F921-G923 PolarHBondContact O-N 2.67Å; F921-W924 PolarHBondContact O-N 2.95Å
922T38.8Very low34.2Very low103 Ų10398.4 Ų98.463%0.63261%0.607SS**THydrogen-bonded Turntrans-65.9-16.7-165.454.90000115.3G920 W924 T925G920-T922 VanDerWaalsContact C-N 3.31Å; G920-T922 PolarHBondContact O-N 3.47Å; G920-T922 PolarHBondContact O-OG1 3.41Å; T922-W924 PolarHBondContact O-N 3.22Å; T922-T925 PolarHBondContact O-OG1 3.47Å
923G36.6Very low35Very low53 Ų5393.1 Ų93.155%0.54659%0.59SS.*THydrogen-bonded Turntrans-76.4-12.5-179.900000116.4F921F921-G923 PolarHBondContact O-N 2.67Å
924W38Very low35.6Very low202 Ų20295.6 Ų95.677%0.76559%0.585SS**THydrogen-bonded Turntrans-93.2-34.1-173.4-84.956000114.2F921 T922 A926 R927 L928F921-W924 PolarHBondContact O-N 2.95Å; T922-W924 PolarHBondContact O-N 3.22Å; W924-A926 PolarHBondContact O-N 3.13Å; W924-R927 PolarHBondContact O-N 2.79Å; W924-L928 PolarHBondContact O-N 2.86Å
925T40.5Very low36.1Very low52 Ų5298.3 Ų98.332%0.31960%0.595SS.*Hα-helixtrans-62.7-42.6-176.951.30000112.5I317 T922 R927 L928 G929I317-T925 HydrophobicContact CD1-CG2 4.4Å; I317-T925 WeakPolarHBondContact CD1-OG1 3.25Å; T922-T925 PolarHBondContact O-OG1 3.47Å; T925-R927 PolarHBondContact O-N 2.83Å; T925-L928 PolarHBondContact O-N 3.33Å; T925-G929 PolarHBondContact O-N 3.23Å
926A37.4Very low36.6Very low73 Ų7396.5 Ų96.560%0.60360%0.596SS**Hα-helixtrans-63.4-23.1178.200000114.1W924W924-A926 PolarHBondContact O-N 3.13Å
927R41.4Very low37.2Very low164 Ų16499.3 Ų99.362%0.61961%0.613SS**Hα-helixtrans-91.3-29.6176-77.2-178.5168.3176.2-2.3113.1W924 T925 G929 L930 T931W924-R927 PolarHBondContact O-N 2.79Å; T925-R927 PolarHBondContact O-N 2.83Å; R927-G929 PolarHBondContact O-N 2.87Å; R927-L930 PolarHBondContact O-N 3.2Å; R927-T931 PolarHBondContact O-N 2.85Å; R927-T931 PolarHBondContact O-OG1 3.03Å
928L42.7Very low38.1Very low88 Ų8897.1 Ų97.146%0.46160%0.597SS.*Hα-helixtrans-61.6-40.6173.3-89.6160.7000112.6W924 T925 L930 T931 A932W924-L928 PolarHBondContact O-N 2.86Å; T925-L928 PolarHBondContact O-N 3.33Å; L928-L930 PolarHBondContact O-N 3.49Å; L928-T931 WeakPolarHBondContact CA-OG1 3.2Å; L928-T931 PolarHBondContact O-N 2.99Å; L928-T931 PolarHBondContact O-OG1 2.88Å; L928-A932 WeakPolarHBondContact O-CB 3.28Å; L928-A932 PolarHBondContact O-N 2.97Å
929G41.8Very low39Very low38 Ų3898.3 Ų98.339%0.39260%0.598SS.*Hα-helixtrans-59.5-30.6176.600000114.1T925 R927T925-G929 PolarHBondContact O-N 3.23Å; R927-G929 PolarHBondContact O-N 2.87Å
930L39.4Very low40Very low129 Ų129102.6 Ų102.668%0.67561%0.605SS**Hα-helixtrans-79.1-38.5176-99.5160.6000112.4R927 L928 S933R927-L930 PolarHBondContact O-N 3.2Å; L928-L930 PolarHBondContact O-N 3.49Å; L930-S933 PolarHBondContact O-N 3.49Å; L930-S933 PolarHBondContact O-OG 3.04Å
931T42.6Very low40.6Very low89 Ų89101 Ų10155%0.54659%0.588SS.*Hα-helixtrans-70.1-33.3176.648.80000113.4R927 L928 S933R927-T931 PolarHBondContact O-N 2.85Å; R927-T931 PolarHBondContact O-OG1 3.03Å; L928-T931 WeakPolarHBondContact CA-OG1 3.2Å; L928-T931 PolarHBondContact O-N 2.99Å; L928-T931 PolarHBondContact O-OG1 2.88Å; T931-S933 PolarHBondContact O-N 2.84Å
932A42Very low41.1Very low54 Ų5495.9 Ų95.945%0.44657%0.572SS.*Hα-helixtrans-61.6-28.3176.100000112.9L928 M934L928-A932 WeakPolarHBondContact O-CB 3.28Å; L928-A932 PolarHBondContact O-N 2.97Å; A932-M934 VanDerWaalsContact C-N 3.25Å; A932-M934 PolarHBondContact O-N 3.48Å
933S41.8Very low41.8Very low68 Ų6894.2 Ų94.248%0.47657%0.565SS.*THydrogen-bonded Turntrans-70.5-9.4-175.174.60000116L930 T931L930-S933 PolarHBondContact O-N 3.49Å; L930-S933 PolarHBondContact O-OG 3.04Å; T931-S933 PolarHBondContact O-N 2.84Å
934M40Very low42.5Very low157 Ų15796.6 Ų96.677%0.77356%0.564SS**THydrogen-bonded Turntrans-118.9-11.8-161.8-84.9-79.216000116.8A932A932-M934 VanDerWaalsContact C-N 3.25Å; A932-M934 PolarHBondContact O-N 3.48Å
935L36.6Very low43.3Very low112 Ų11291.1 Ų91.159%0.58655%0.553SS**  trans-126.744.7-162.4-80.5168.7000116.1T937L935-T937 PolarHBondContact O-N 3.12Å
936G36.6Very low43.9Very low82 Ų8293.9 Ų93.985%0.84557%0.565SS**THydrogen-bonded Turntrans-68.827.2176.300000117
937T38.8Very low44.8Very low126 Ų12694.6 Ų94.677%0.77356%0.559SS**THydrogen-bonded Turntrans-144.630.7-171.963.30000116.7L935L935-T937 PolarHBondContact O-N 3.12Å
938S44.3Very low45.6Very low61 Ų6191.7 Ų91.743%0.42756%0.555SS.*  trans-166.980.516455.60000115.4L940 G941 C942S938-L940 VanDerWaalsContact C-N 3.29Å; S938-L940 PolarHBondContact O-N 3.37Å; S938-G941 PolarHBondContact O-N 3.21Å; S938-C942 PolarHBondContact O-N 2.83Å
939L48.4Very low46.2Very low118 Ų11891 Ų9162%0.61855%0.554SS**Hα-helixtrans-60.9-31.1-178.7-78.187.6000114.5E386 G941 S943E386-L939 WeakPolarHBondContact OE1-CD2 3.4Å; L939-G941 PolarHBondContact O-N 3.03Å; L939-S943 PolarHBondContact O-N 2.76Å; L939-S943 PolarHBondContact O-OG 2.95Å
940L49.8Very low46.8Very low157 Ų15792.4 Ų92.482%0.82256%0.557SS**Hα-helixtrans-69.6-17.4174.1-79.4162.3000113.7S938S938-L940 VanDerWaalsContact C-N 3.29Å; S938-L940 PolarHBondContact O-N 3.37Å
941G40.4Very low47.9Very low28 Ų2890.3 Ų90.329%0.28955%0.546SS..Hα-helixtrans-82.6-51.5174.900000111.7S938 L939 S943 L944 V945S938-G941 PolarHBondContact O-N 3.21Å; L939-G941 PolarHBondContact O-N 3.03Å; G941-S943 PolarHBondContact O-N 3.27Å; G941-L944 PolarHBondContact O-N 2.68Å; G941-V945 WeakPolarHBondContact O-CG2 3.49Å; G941-V945 PolarHBondContact O-N 2.85Å
942C44.4Very low48.2Very low59 Ų5987.4 Ų87.440%0.39953%0.534SS..Hα-helixtrans-63.6-39.4-177.5-64.20000112.7S938 V945 L946S938-C942 PolarHBondContact O-N 2.83Å; C942-V945 PolarHBondContact O-N 3.42Å; C942-L946 VanDerWaalsContact O-CB 3.28Å; C942-L946 WeakPolarHBondContact O-CB 3.18Å; C942-L946 VanDerWaalsContact O-CG 3.31Å; C942-L946 WeakPolarHBondContact O-CG 3.32Å; C942-L946 PolarHBondContact O-N 3.09Å
943S54.1Low48.6Very low68 Ų6890 Ų9048%0.47654%0.538SS..Hα-helixtrans-63.8-41.5174.846.80000112.7L939 G941 L947L939-S943 PolarHBondContact O-N 2.76Å; L939-S943 PolarHBondContact O-OG 2.95Å; G941-S943 PolarHBondContact O-N 3.27Å; S943-L947 WeakPolarHBondContact O-CB 3.19Å; S943-L947 PolarHBondContact O-N 3.5Å
944L52.2Low49Very low104 Ų10491.3 Ų91.355%0.54554%0.539SS..Hα-helixtrans-71.9-35.5176.4-175.1131.9000112.6G941 L948G941-L944 PolarHBondContact O-N 2.68Å; L944-L948 HydrophobicContact CD2-CD1 3.65Å; L944-L948 HydrophobicContact CG-CD1 4.27Å; L944-L948 VanDerWaalsContact O-CB 3.3Å; L944-L948 WeakPolarHBondContact O-CB 3.24Å; L944-L948 VanDerWaalsContact O-CG 3.29Å; L944-L948 WeakPolarHBondContact O-CG 3.27Å; L944-L948 PolarHBondContact O-N 3.26Å
945V53.8Low49.3Very low86 Ų8687.5 Ų87.552%0.52153%0.527SS..Hα-helixtrans-68.5-46.2173.8170.90000111G941 C942 L947 L948 T949G941-V945 WeakPolarHBondContact O-CG2 3.49Å; G941-V945 PolarHBondContact O-N 2.85Å; C942-V945 PolarHBondContact O-N 3.42Å; V945-L947 VanDerWaalsContact C-N 3.34Å; V945-L947 PolarHBondContact O-N 2.91Å; V945-L948 CarbonylContact O-C 3.58Å; V945-L948 PolarHBondContact O-N 2.83Å; V945-L948 VanDerWaalsContact O-N 3.14Å; V945-T949 HydrophobicContact CG1-CG2 4.48Å; V945-T949 PolarHBondContact O-N 3.25Å; V945-T949 PolarHBondContact O-OG1 3.28Å
946L53.1Low49.8Very low110 Ų11088 Ų8858%0.57653%0.53SS*.Hα-helixtrans-63.2-39.5176.2-75170.5000111.7C942 T949 C950C942-L946 VanDerWaalsContact O-CB 3.28Å; C942-L946 WeakPolarHBondContact O-CB 3.18Å; C942-L946 VanDerWaalsContact O-CG 3.31Å; C942-L946 WeakPolarHBondContact O-CG 3.32Å; C942-L946 PolarHBondContact O-N 3.09Å; L946-T949 WeakPolarHBondContact CA-OG1 3.11Å; L946-T949 PolarHBondContact O-N 2.78Å; L946-T949 PolarHBondContact O-OG1 3.31Å; L946-T949 VanDerWaalsContact O-OG1 3.07Å; L946-C950 VanDerWaalsContact O-CB 3.31Å; L946-C950 WeakPolarHBondContact O-CB 3.43Å; L946-C950 PolarHBondContact O-N 3.36Å; L946-C950 PolarHBondContact O-SG 2.87Å
947L56.4Low49.9Very low89 Ų8990.3 Ų90.347%0.46652%0.518SS..Hα-helixtrans-65.2-39172.6-168.4104.9000111.5S943 V945 L951S943-L947 WeakPolarHBondContact O-CB 3.19Å; S943-L947 PolarHBondContact O-N 3.5Å; V945-L947 VanDerWaalsContact C-N 3.34Å; V945-L947 PolarHBondContact O-N 2.91Å; L947-L951 HydrophobicContact CD2-CD1 3.8Å; L947-L951 HydrophobicContact CG-CD1 4.01Å; L947-L951 HydrophobicContact CG-CG 4.46Å; L947-L951 WeakPolarHBondContact O-CB 3.4Å; L947-L951 WeakPolarHBondContact O-CG 3.36Å; L947-L951 PolarHBondContact O-N 2.92Å
948L59.1Low49.9Very low103 Ų10386.8 Ų86.854%0.53950%0.499SS..Hα-helixtrans-71.7-30.4175-78.9170.7000113.3L944 V945 G952L944-L948 HydrophobicContact CD2-CD1 3.65Å; L944-L948 HydrophobicContact CG-CD1 4.27Å; L944-L948 VanDerWaalsContact O-CB 3.3Å; L944-L948 WeakPolarHBondContact O-CB 3.24Å; L944-L948 VanDerWaalsContact O-CG 3.29Å; L944-L948 WeakPolarHBondContact O-CG 3.27Å; L944-L948 PolarHBondContact O-N 3.26Å; V945-L948 CarbonylContact O-C 3.58Å; V945-L948 PolarHBondContact O-N 2.83Å; V945-L948 VanDerWaalsContact O-N 3.14Å; L948-G952 WeakPolarHBondContact O-CA 3.29Å; L948-G952 PolarHBondContact O-N 2.9Å
949T54.8Low49.4Very low72 Ų7292.2 Ų92.244%0.44252%0.515SS..Hα-helixtrans-78.1-35.1172.453.20000111.7V945 L946 G952 M953V945-T949 HydrophobicContact CG1-CG2 4.48Å; V945-T949 PolarHBondContact O-N 3.25Å; V945-T949 PolarHBondContact O-OG1 3.28Å; L946-T949 WeakPolarHBondContact CA-OG1 3.11Å; L946-T949 PolarHBondContact O-N 2.78Å; L946-T949 PolarHBondContact O-OG1 3.31Å; L946-T949 VanDerWaalsContact O-OG1 3.07Å; T949-G952 CarbonylContact O-C 3.6Å; T949-G952 PolarHBondContact O-N 2.86Å; T949-M953 WeakPolarHBondContact O-CB 3.4Å; T949-M953 WeakPolarHBondContact O-CG 3.24Å; T949-M953 PolarHBondContact O-N 3.05Å
950C54.3Low48.8Very low69 Ų6991.2 Ų91.247%0.46652%0.518SS..Hα-helixtrans-68.9-45.5171.4-780000111.2L946 G952 M953 I954L946-C950 VanDerWaalsContact O-CB 3.31Å; L946-C950 WeakPolarHBondContact O-CB 3.43Å; L946-C950 PolarHBondContact O-N 3.36Å; L946-C950 PolarHBondContact O-SG 2.87Å; C950-G952 VanDerWaalsContact C-N 3.26Å; C950-G952 PolarHBondContact O-N 2.92Å; C950-M953 PolarHBondContact O-N 3.11Å; C950-I954 VanDerWaalsContact O-CB 3.22Å; C950-I954 WeakPolarHBondContact O-CB 3.4Å; C950-I954 WeakPolarHBondContact O-CD1 3.29Å; C950-I954 WeakPolarHBondContact O-CG1 3.45Å; C950-I954 PolarHBondContact O-N 2.97Å
951L62.6Low48.1Very low85 Ų8588.4 Ų88.445%0.44551%0.511SS..Hα-helixtrans-62.8-34.9170.4-72169.6000111.3L947 C955L947-L951 HydrophobicContact CD2-CD1 3.8Å; L947-L951 HydrophobicContact CG-CD1 4.01Å; L947-L951 HydrophobicContact CG-CG 4.46Å; L947-L951 WeakPolarHBondContact O-CB 3.4Å; L947-L951 WeakPolarHBondContact O-CG 3.36Å; L947-L951 PolarHBondContact O-N 2.92Å; L951-C955 WeakPolarHBondContact O-CB 3.21Å; L951-C955 PolarHBondContact O-N 3.29Å; L951-C955 PolarHBondContact O-SG 3.01Å
952G48.6Very low47.6Very low28 Ų2893.2 Ų93.229%0.28953%0.53SS..Hα-helixtrans-62.7-48.2172.400000112.5L948 T949 C950 C955 L956L948-G952 WeakPolarHBondContact O-CA 3.29Å; L948-G952 PolarHBondContact O-N 2.9Å; T949-G952 CarbonylContact O-C 3.6Å; T949-G952 PolarHBondContact O-N 2.86Å; C950-G952 VanDerWaalsContact C-N 3.26Å; C950-G952 PolarHBondContact O-N 2.92Å; G952-C955 PolarHBondContact O-N 2.88Å; G952-L956 VanDerWaalsContact O-CB 3.27Å; G952-L956 WeakPolarHBondContact O-CB 3.42Å; G952-L956 WeakPolarHBondContact O-CD1 3.28Å; G952-L956 WeakPolarHBondContact O-CG 3.09Å; G952-L956 PolarHBondContact O-N 3.47Å
953M49.5Very low46.9Very low108 Ų10893.3 Ų93.353%0.53253%0.531SS..Hα-helixtrans-67.1-42.3177.3-67.1-111.4-70.500111.6T949 C950 L956 Q957T949-M953 WeakPolarHBondContact O-CB 3.4Å; T949-M953 WeakPolarHBondContact O-CG 3.24Å; T949-M953 PolarHBondContact O-N 3.05Å; C950-M953 PolarHBondContact O-N 3.11Å; M953-L956 PolarHBondContact O-N 3.23Å; M953-Q957 WeakPolarHBondContact O-CB 3.16Å; M953-Q957 WeakPolarHBondContact O-CG 3.2Å; M953-Q957 PolarHBondContact O-N 3.32Å
954I52Low45.9Very low96 Ų9694.5 Ų94.549%0.49254%0.536SS..Hα-helixtrans-68-37.6175.9-68.8162.8000110.6C950 S958C950-I954 VanDerWaalsContact O-CB 3.22Å; C950-I954 WeakPolarHBondContact O-CB 3.4Å; C950-I954 WeakPolarHBondContact O-CD1 3.29Å; C950-I954 WeakPolarHBondContact O-CG1 3.45Å; C950-I954 PolarHBondContact O-N 2.97Å; I954-S958 WeakPolarHBondContact O-CA 3.42Å; I954-S958 WeakPolarHBondContact O-CB 3.23Å; I954-S958 PolarHBondContact O-N 3.45Å
955C46.5Very low45Very low77 Ų7798.9 Ų98.952%0.5255%0.551SS.*Hα-helixtrans-73.8-28.5172.9-73.30000112.9L951 G952 K959L951-C955 WeakPolarHBondContact O-CB 3.21Å; L951-C955 PolarHBondContact O-N 3.29Å; L951-C955 PolarHBondContact O-SG 3.01Å; G952-C955 PolarHBondContact O-N 2.88Å; C955-K959 VanDerWaalsContact O-CB 3.28Å; C955-K959 WeakPolarHBondContact O-CB 3.36Å; C955-K959 WeakPolarHBondContact O-CG 3.46Å; C955-K959 PolarHBondContact O-N 2.95Å
956L46.2Very low44.3Very low123 Ų123106.1 Ų106.164%0.64457%0.569SS**Hα-helixtrans-73.7-46.7172.5-78.8165.1000111.4G952 M953 K959 S960G952-L956 VanDerWaalsContact O-CB 3.27Å; G952-L956 WeakPolarHBondContact O-CB 3.42Å; G952-L956 WeakPolarHBondContact O-CD1 3.28Å; G952-L956 WeakPolarHBondContact O-CG 3.09Å; G952-L956 PolarHBondContact O-N 3.47Å; M953-L956 PolarHBondContact O-N 3.23Å; L956-K959 CarbonylContact O-C 3.55Å; L956-K959 PolarHBondContact O-N 2.83Å; L956-S960 VanDerWaalsContact O-CB 3.29Å; L956-S960 WeakPolarHBondContact O-CB 3.27Å; L956-S960 PolarHBondContact O-N 3.27Å
957Q39.4Very low43.8Very low130 Ų130102.9 Ų102.961%0.60755%0.55SS**Hα-helixtrans-65.2-40.1172.6-74.9-174.8-67.900111.4M953 K959 S960 S961M953-Q957 WeakPolarHBondContact O-CB 3.16Å; M953-Q957 WeakPolarHBondContact O-CG 3.2Å; M953-Q957 PolarHBondContact O-N 3.32Å; Q957-K959 PolarHBondContact O-N 3.33Å; Q957-S960 CarbonylContact O-C 3.48Å; Q957-S960 VanDerWaalsContact O-C 3.28Å; Q957-S960 WeakPolarHBondContact O-CA 3.35Å; Q957-S960 PolarHBondContact O-N 3.24Å; Q957-S961 WeakPolarHBondContact O-CB 3.48Å; Q957-S961 PolarHBondContact O-N 2.75Å
958S37Very low43.2Very low52 Ų52101.8 Ų101.836%0.36455%0.549SS..Hα-helixtrans-64.5-38.8173.4-175.50000111.6I954 S960 S961 N962I954-S958 WeakPolarHBondContact O-CA 3.42Å; I954-S958 WeakPolarHBondContact O-CB 3.23Å; I954-S958 PolarHBondContact O-N 3.45Å; S958-S960 VanDerWaalsContact C-N 3.26Å; S958-S960 PolarHBondContact O-N 2.97Å; S958-S961 PolarHBondContact O-N 2.71Å; S958-N962 WeakPolarHBondContact O-CA 3.16Å; S958-N962 WeakPolarHBondContact O-CB 3.46Å; S958-N962 PolarHBondContact O-N 2.93Å
959K35Very low42.8Very low175 Ų175101.4 Ų101.476%0.76155%0.546SS*.Hα-helixtrans-68.1-21.1168.5-85-172.4168.8-176.10114.3C955 L956 Q957C955-K959 VanDerWaalsContact O-CB 3.28Å; C955-K959 WeakPolarHBondContact O-CB 3.36Å; C955-K959 WeakPolarHBondContact O-CG 3.46Å; C955-K959 PolarHBondContact O-N 2.95Å; L956-K959 CarbonylContact O-C 3.55Å; L956-K959 PolarHBondContact O-N 2.83Å; Q957-K959 PolarHBondContact O-N 3.33Å
960S35.6Very low42.6Very low97 Ų97100.3 Ų100.368%0.67854%0.537SS*.Hα-helixtrans-95.3-3.3176.1-169.60000114L956 Q957 S958 S963L956-S960 VanDerWaalsContact O-CB 3.29Å; L956-S960 WeakPolarHBondContact O-CB 3.27Å; L956-S960 PolarHBondContact O-N 3.27Å; Q957-S960 CarbonylContact O-C 3.48Å; Q957-S960 VanDerWaalsContact O-C 3.28Å; Q957-S960 WeakPolarHBondContact O-CA 3.35Å; Q957-S960 PolarHBondContact O-N 3.24Å; S958-S960 VanDerWaalsContact C-N 3.26Å; S958-S960 PolarHBondContact O-N 2.97Å; S960-S963 CarbonylContact C-O 3.58Å
961S35Very low42.4Very low97 Ų97104.9 Ų104.968%0.67855%0.545SS*.Hα-helixtrans-127.4-36.1-173.6-168.80000112.3Q957 S958 S963Q957-S961 WeakPolarHBondContact O-CB 3.48Å; Q957-S961 PolarHBondContact O-N 2.75Å; S958-S961 PolarHBondContact O-N 2.71Å; S961-S963 VanDerWaalsContact C-N 3.29Å
962N30.5Very low42Very low129 Ų129101.5 Ų101.569%0.6953%0.527SS*.SBendtrans-94.821.9170.9-71.5-28.8000112.6S958S958-N962 WeakPolarHBondContact O-CA 3.16Å; S958-N962 WeakPolarHBondContact O-CB 3.46Å; S958-N962 PolarHBondContact O-N 2.93Å
963S29.4Very low42.1Very low61 Ų61106.2 Ų106.243%0.42755%0.545SS..SBendtrans-165.5135.9156.5-81.90000107.4S960 S961S960-S963 CarbonylContact C-O 3.58Å; S961-S963 VanDerWaalsContact C-N 3.29Å
964T33Very low42.8Very low93 Ų93102.1 Ų102.157%0.57153%0.527SS*.  cis-123.9171.812.455.80000112.2R966T964-R966 PolarHBondContact O-N 3.2Å
965K32.7Very low43.4Very low197 Ų197100.2 Ų100.286%0.85752%0.517SS*.  trans-49.2133.2147.3-70.7-174.2171.1-166.30106.9E967K965-E967 PolarHBondContact O-N 3.4Å
966R40.3Very low44.3Very low238 Ų238100.5 Ų100.590%0.89852%0.517SS*.  trans-57.3111.5169.7-81.7-175.5174.1173.1-1.2107.2T964T964-R966 PolarHBondContact O-N 3.2Å
967E42.8Very low45.4Very low41 Ų4194.8 Ų94.819%0.19249%0.487CS..  trans-65142.6-178.3-69.8170.3-158.400108.8K965 I969 R1439 Y1448 S1451K965-E967 PolarHBondContact O-N 3.4Å; E967-I969 VanDerWaalsContact C-N 3.34Å; E967-I969 PolarHBondContact O-N 3.12Å; E967-R1439 IonicContact OE2-NH1 2.65Å; E967-Y1448 WeakPolarHBondContact OE1-CD2 3.46Å; E967-S1451 PolarHBondContact OE2-OG 3.44Å; E967-S1451 VanDerWaalsContact OE2-OG 3.05Å
968P43.8Very low46.6Very low67 Ų6792.6 Ų92.644%0.43548%0.479SS..  trans-68.295.6173.328.3-33.3000108.8I970 E1449 R1450P968-I970 PolarHBondContact O-N 3.47Å; P968-I970 VanDerWaalsContact O-N 3.14Å; P968-E1449 WeakPolarHBondContact CG-O 3.48Å; P968-R1450 HydrophobicContact CG-CB 4.49Å; P968-R1450 HydrophobicContact CG-CG 4.02Å
969I49.9Very low47.9Very low95 Ų9590.9 Ų90.949%0.48747%0.466SS..EExtended strand (participates in β ladder)trans-76.995.9175.9-59.1171.1000108.2E967 Y1437 S1451 Q1453E967-I969 VanDerWaalsContact C-N 3.34Å; E967-I969 PolarHBondContact O-N 3.12Å; I969-Y1437 HydrophobicContact CG2-CE1 4.26Å; I969-S1451 WeakPolarHBondContact CA-O 3.42Å; I969-Q1453 HydrophobicContact CG2-CB 4.09Å
970I50.7Low49.2Very low48 Ų4886.3 Ų86.325%0.24645%0.453CS..EExtended strand (participates in β ladder)trans-80.6122.9171.1-53.7179.5000107P968 V972 S1451 V1452 Q1453P968-I970 PolarHBondContact O-N 3.47Å; P968-I970 VanDerWaalsContact O-N 3.14Å; I970-V972 HydrophobicContact CG2-CG2 3.9Å; I970-S1451 PolarHBondContact N-O 3.24Å; I970-S1451 VanDerWaalsContact N-O 3.11Å; I970-V1452 HydrophobicContact CB-CG2 4.45Å; I970-V1452 CarbonylContact O-C 3.55Å; I970-V1452 VanDerWaalsContact O-CA 3.24Å; I970-V1452 WeakPolarHBondContact O-CA 3.27Å; I970-Q1453 PolarHBondContact O-N 3.01Å
971R50.2Low49.9Very low166 Ų16688.2 Ų88.263%0.62646%0.455SS*.EExtended strand (participates in β ladder)trans-87.9111.8167.9-69.9-174.4176.61715.1108Q1453R971-Q1453 HydrophobicContact CG-CB 4.26Å
972V53Low50.1Low13 Ų1390.5 Ų90.58%0.07946%0.46CS..  trans-104.8126170.1176.50000106.8I970 P974 V1452 Q1453 V1545 T1549I970-V972 HydrophobicContact CG2-CG2 3.9Å; V972-P974 WeakPolarHBondContact O-CD 3.21Å; V972-V1452 HydrophobicContact CB-CG1 3.7Å; V972-V1452 HydrophobicContact CG2-CG1 3.49Å; V972-V1452 VanDerWaalsContact CG2-CG1 3.49Å; V972-Q1453 PolarHBondContact N-O 2.95Å; V972-V1545 HydrophobicContact CB-CG1 4.43Å; V972-V1545 HydrophobicContact CG1-CG1 3.85Å; V972-T1549 HydrophobicContact CG1-CG2 4.24Å; V972-T1549 WeakPolarHBondContact CG2-OG1 3.4Å
973L52.3Low50.3Low128 Ų12890.2 Ų90.267%0.6746%0.462SS*.PPolyproline II helixtrans-76.1116.1171.3-90.6146.1000108M803M803-L973 HydrophobicContact CE-CB 3.8Å; M803-L973 HydrophobicContact CE-CD1 3.82Å; M803-L973 HydrophobicContact CE-CG 4.29Å; M803-L973 HydrophobicContact SD-CB 4.06Å; M803-L973 HydrophobicContact SD-CD1 3.75Å; M803-L973 HydrophobicContact SD-CD2 3.93Å; M803-L973 HydrophobicContact SD-CG 4.11Å
974P62.5Low50.2Low22 Ų2293.8 Ų93.814%0.14348%0.482CS..PPolyproline II helixtrans-79.6152.917834.7-36.3000110.6V972 T976 L1454 V1543 V1544 V1545V972-P974 WeakPolarHBondContact O-CD 3.21Å; P974-T976 HydrophobicContact CG-CG2 4.23Å; P974-T976 PolarHBondContact O-N 2.85Å; P974-L1454 WeakPolarHBondContact CD-O 3.36Å; P974-L1454 VanDerWaalsContact CG-O 3.25Å; P974-L1454 WeakPolarHBondContact CG-O 3.27Å; P974-V1543 HydrophobicContact CB-CG1 3.4Å; P974-V1543 VanDerWaalsContact CB-CG1 3.4Å; P974-V1543 HydrophobicContact CG-CG1 3.76Å; P974-V1544 WeakPolarHBondContact CA-O 3.4Å; P974-V1545 HydrophobicContact CB-CG2 4.13Å
975L66.3Low50.2Low55 Ų5595 Ų9529%0.28849%0.489SS..EExtended strand (participates in β ladder)trans-75.6116.9163.6173.366.7000108.1I977 A1050 G1053 V1543 V1544L975-I977 HydrophobicContact CG-CG1 4.38Å; L975-A1050 WeakPolarHBondContact CD2-O 3.34Å; L975-G1053 VanDerWaalsContact CD2-N 3.32Å; L975-V1543 WeakPolarHBondContact O-CA 3.45Å; L975-V1544 HydrophobicContact CB-CB 4.18Å; L975-V1544 HydrophobicContact CD2-CB 4.28Å; L975-V1544 PolarHBondContact N-O 3.48Å; L975-V1544 PolarHBondContact O-N 3.39Å
976T65.7Low50Low83 Ų8392.8 Ų92.851%0.50949%0.492SS..EExtended strand (participates in β ladder)trans-102.8122.6-179.948.90000110.4P974 I1541 L1542 V1543P974-T976 HydrophobicContact CG-CG2 4.23Å; P974-T976 PolarHBondContact O-N 2.85Å; T976-I1541 HydrophobicContact CG2-CG2 4.44Å; T976-L1542 WeakPolarHBondContact CA-O 3.39Å; T976-V1543 HydrophobicContact CG2-CG2 4.44Å
977I67.6Low49.5Very low4 Ų484.9 Ų84.92%0.02149%0.485CS..EExtended strand (participates in β ladder)trans-113.2114.1-177.2-61.2175.2000107.8L975 L979 W1048 I1541 L1542 V1544L975-I977 HydrophobicContact CG-CG1 4.38Å; I977-L979 PolarHBondContact O-N 3.29Å; I977-W1048 HydrophobicContact CD1-CE3 4.44Å; I977-W1048 HydrophobicContact CG2-CD2 3.71Å; I977-W1048 HydrophobicContact CG2-CE3 3.44Å; I977-W1048 VanDerWaalsContact CG2-CE3 3.44Å; I977-W1048 HydrophobicContact CG2-CH2 3.63Å; I977-W1048 HydrophobicContact CG2-CZ2 3.88Å; I977-W1048 HydrophobicContact CG2-CZ3 3.4Å; I977-W1048 VanDerWaalsContact CG2-CZ3 3.4Å; I977-I1541 CarbonylContact O-C 3.5Å; I977-I1541 WeakPolarHBondContact O-CA 3.16Å; I977-L1542 HydrophobicContact CB-CB 4.4Å; I977-L1542 HydrophobicContact CB-CD2 4.46Å; I977-L1542 HydrophobicContact CD1-CD2 3.95Å; I977-L1542 PolarHBondContact N-O 3.03Å; I977-L1542 PolarHBondContact O-N 3.03Å; I977-V1544 HydrophobicContact CD1-CG2 3.95Å
978D64.7Low48.8Very low84 Ų8488.1 Ų88.145%0.44951%0.512SS..EExtended strand (participates in β ladder)trans-76.5119.2174.6-77.2-9.9000110.1V980 I1541D978-V980 PolarHBondContact O-N 3.3Å; D978-I1541 WeakPolarHBondContact OD1-CD1 3.41Å; D978-I1541 WeakPolarHBondContact OD1-CG1 2.74Å
979L64.8Low48.3Very low15 Ų1594 Ų948%0.07954%0.536CS..SBendtrans-80.7-2.3176.9-57.5174.4000112.8I977 W1004 V1028 R1540 L1542I977-L979 PolarHBondContact O-N 3.29Å; L979-W1004 HydrophobicContact CB-CH2 4.04Å; L979-W1004 HydrophobicContact CB-CZ2 4.07Å; L979-W1004 HydrophobicContact CD1-CD2 4.46Å; L979-W1004 HydrophobicContact CD1-CH2 4.35Å; L979-W1004 HydrophobicContact CD1-CZ2 4.04Å; L979-V1028 HydrophobicContact CD2-CG1 4.08Å; L979-R1540 WeakPolarHBondContact CB-O 3.44Å; L979-R1540 PolarHBondContact N-O 2.94Å; L979-L1542 HydrophobicContact CD1-CB 4.36Å; L979-L1542 HydrophobicContact CD2-CB 4.25Å; L979-L1542 HydrophobicContact CG-CB 4.34Å
980V62.6Low47.5Very low80 Ų8096 Ų9649%0.48555%0.548SS..SBendtrans-141.3104-177.6-174.80000110.5D978 N982 R1540D978-V980 PolarHBondContact O-N 3.3Å; V980-N982 PolarHBondContact O-N 3.47Å; V980-R1540 HydrophobicContact CG2-CG 4.24Å
981N50.6Low46.6Very low137 Ų137100.6 Ų100.673%0.73357%0.572SS**  trans-66.1126.5173.6-75-21.4000111.4V983N981-V983 PolarHBondContact O-N 3.11Å; N981-V983 VanDerWaalsContact O-N 3.08Å
982N38.2Very low45.7Very low145 Ų14598.9 Ų98.978%0.77558%0.576SS**  trans-67.3103.9175.8-87.3-52.5000111.3V980 T984V980-N982 PolarHBondContact O-N 3.47Å; N982-T984 PolarHBondContact O-N 2.96Å; N982-T984 VanDerWaalsContact O-N 3.15Å
983V35.2Very low44.7Very low122 Ų122108.8 Ų108.874%0.73961%0.613SS**  trans-74.3102.1175.3175.60000109.9N981 T985N981-V983 PolarHBondContact O-N 3.11Å; N981-V983 VanDerWaalsContact O-N 3.08Å; V983-T985 HydrophobicContact CG1-CG2 3.83Å; V983-T985 PolarHBondContact O-N 2.91Å
984T27.8Very low43.8Very low137 Ų137108.8 Ų108.884%0.8461%0.614SS**  trans-77.596.3171.351.50000110.6N982N982-T984 PolarHBondContact O-N 2.96Å; N982-T984 VanDerWaalsContact O-N 3.15Å
985T32.9Very low42.2Very low117 Ų117115.5 Ų115.572%0.71864%0.643SS**  trans-114.4101.8168.845.90000111.1V983 G987V983-T985 HydrophobicContact CG1-CG2 3.83Å; V983-T985 PolarHBondContact O-N 2.91Å; T985-G987 PolarHBondContact O-N 2.87Å
986T27.6Very low40.4Very low151 Ų151120.5 Ų120.593%0.92667%0.665SS**  trans-64.6115.8159.6460000109.2
987G30.6Very low38.5Very low72 Ų72123 Ų12374%0.74268%0.675SS**  trans-176.8120.5175.300000109.8T985 M989T985-G987 PolarHBondContact O-N 2.87Å; G987-M989 PolarHBondContact O-N 2.85Å
988S28.3Very low36.5Very low110 Ų110128.1 Ų128.177%0.76971%0.71SS**  trans-73.3120.5178.748.20000110.8
989M33.2Very low34.7Very low191 Ų191130.2 Ų130.294%0.94172%0.721SS**  trans-134.4127.6153.3-86.5-167.4157.200109G987G987-M989 PolarHBondContact O-N 2.85Å
990D33.2Very low33.2Very low136 Ų136136.7 Ų136.773%0.72775%0.754SS**  trans-82.4164.5-165.9-59.8-83.8000114.5
991L31.8Very low31.9Very low145 Ų145135.9 Ų135.976%0.75975%0.752SS**  trans62.9133.3147.2-71.6158.3000120.3
992D30.1Very low31.8Very low130 Ų130131.1 Ų131.170%0.69573%0.729SS**  trans50.9107.7146.2-52.2-19.6000119.4
993Y32.6Very low32.8Very low220 Ų220128.5 Ų128.586%0.86371%0.712SS**  -166161.8111.6-116.9-78.5000113.3
994D32.8Very low34.2Very low129 Ų129124.9 Ų124.969%0.6969%0.685SS**  trans-59.5134.5-170.9-60.9-67.3000116.8H996D994-H996 PolarHBondContact O-N 2.84Å
995Q30.2Very low36.3Very low162 Ų162119.4 Ų119.476%0.75765%0.651SS**  1696.9117.4-178.1-178.8-20.400116.5
996H28.2Very low38.2Very low160 Ų160115 Ų11574%0.74163%0.625SS**  trans-179.7166.6131.5-101.3-72000113.7D994D994-H996 PolarHBondContact O-N 2.84Å
997D26.6Very low40.4Very low137 Ų137108.1 Ų108.173%0.73358%0.583SS**  trans-42.2120.8-172.4-53.8-87000119.2
998C25.2Very low42.4Very low111 Ų111106.1 Ų106.175%0.7556%0.557SS**  trans-165.298.2147.1-108.20000113.5
999L27Very low44.2Very low128 Ų128101.3 Ų101.367%0.6753%0.525SS*.  trans-131.369.8168.6-105.5171.6000109.9
1000L32.6Very low45.9Very low150 Ų15093.3 Ų93.379%0.78549%0.485SS*.PPolyproline II helixtrans-78.5128164.6-74.794000109
1001S35.6Very low47.5Very low63 Ų6387 Ų8744%0.44145%0.451SS..PPolyproline II helixtrans-68.4140.3169.438.90000110.5E1003 G1538S1001-E1003 PolarHBondContact O-N 2.82Å; S1001-G1538 VanDerWaalsContact CB-O 3.23Å; S1001-G1538 WeakPolarHBondContact CB-O 3.44Å
1002P47.8Very low49Very low38 Ų3885.7 Ų85.725%0.24744%0.437CS..PPolyproline II helixtrans-63.5130.6167.524.5-31.8000110.6
1003E58.8Low50.5Low90 Ų9084.1 Ų84.142%0.42142%0.422SS..PPolyproline II helixtrans-67.3127.6165-68.6167.1139.500108.2S1001 S1030 V1031 R1032S1001-E1003 PolarHBondContact O-N 2.82Å; E1003-S1030 PolarHBondContact O-OG 3.23Å; E1003-V1031 HydrophobicContact CB-CB 3.99Å; E1003-V1031 HydrophobicContact CB-CG2 4.37Å; E1003-V1031 PolarHBondContact O-N 2.88Å; E1003-R1032 IonicContact OE1-NH1 3.69Å; E1003-R1032 WeakPolarHBondContact OE2-CD 3.29Å; E1003-R1032 IonicContact OE2-CZ 3.91Å; E1003-R1032 IonicContact OE2-NE 2.77Å; E1003-R1032 IonicContact OE2-NH1 2.69Å; E1003-R1032 PolarHBondContact OE2-NH1 2.93Å
1004W65Low51.7Low45 Ų4581.3 Ų81.317%0.1742%0.415CS..EExtended strand (participates in β ladder)trans-114.7142.9176-67.291.5000110.7L979 V1006 V1028 T1029 G1539L979-W1004 HydrophobicContact CB-CH2 4.04Å; L979-W1004 HydrophobicContact CB-CZ2 4.07Å; L979-W1004 HydrophobicContact CD1-CD2 4.46Å; L979-W1004 HydrophobicContact CD1-CH2 4.35Å; L979-W1004 HydrophobicContact CD1-CZ2 4.04Å; W1004-V1006 HydrophobicContact CB-CG2 4.49Å; W1004-V1028 HydrophobicContact CD2-CG1 4.38Å; W1004-V1028 HydrophobicContact CE3-CG1 3.45Å; W1004-V1028 VanDerWaalsContact CE3-CG1 3.45Å; W1004-V1028 HydrophobicContact CZ3-CG1 3.64Å; W1004-T1029 VanDerWaalsContact CE3-C 3.44Å; W1004-G1539 WeakPolarHBondContact CZ2-O 3.37Å; W1004-G1539 PolarHBondContact NE1-O 3.25Å
1005T71.6Confident52.7Low22 Ų2278.4 Ų78.414%0.13540%0.399CS..EExtended strand (participates in β ladder)trans-109.5131.8164.644.30000108.3T1029 V1031 M1088T1005-T1029 PolarHBondContact N-O 2.81Å; T1005-T1029 PolarHBondContact O-N 2.89Å; T1005-T1029 WeakPolarHBondContact OG1-CG2 3.37Å; T1005-T1029 PolarHBondContact OG1-O 2.78Å; T1005-V1031 HydrophobicContact CG2-CG2 3.8Å; T1005-M1088 WeakPolarHBondContact O-CE 3.14Å
1006V73.2Confident54.2Low26 Ų2680.7 Ų80.716%0.15841%0.406CS..EExtended strand (participates in β ladder)trans-133.3134.3-174.6-179.90000108.5W1004 L1026 A1027 V1028 L1487W1004-V1006 HydrophobicContact CB-CG2 4.49Å; V1006-L1026 HydrophobicContact CG1-CD1 3.61Å; V1006-L1026 HydrophobicContact CG1-CG 4.28Å; V1006-A1027 CarbonylContact C-O 3.56Å; V1006-A1027 VanDerWaalsContact CA-O 3.28Å; V1006-A1027 WeakPolarHBondContact CA-O 3.48Å; V1006-V1028 HydrophobicContact CG1-CG2 4.34Å; V1006-V1028 HydrophobicContact CG2-CG1 4.26Å; V1006-V1028 HydrophobicContact CG2-CG2 4.35Å; V1006-L1487 HydrophobicContact CB-CD1 4.33Å; V1006-L1487 HydrophobicContact CG1-CD1 4.08Å; V1006-L1487 HydrophobicContact CG2-CD1 4.23Å
1007A74.3Confident55.6Low5 Ų579.1 Ų79.14%0.04140%0.404CS..EExtended strand (participates in β ladder)trans-120.5151.5167.600000110.8A1027 M1088 F1090 L1096A1007-A1027 HydrophobicContact CB-CB 4.35Å; A1007-A1027 PolarHBondContact N-O 2.79Å; A1007-A1027 PolarHBondContact O-N 2.81Å; A1007-M1088 HydrophobicContact CB-CB 3.65Å; A1007-F1090 HydrophobicContact CB-CD2 3.78Å; A1007-F1090 HydrophobicContact CB-CE2 3.86Å; A1007-L1096 HydrophobicContact CB-CD1 4.08Å
1008C72Confident56.9Low31 Ų3174.8 Ų74.821%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-123.9128.1-175-64.60000108.8T1490 I1533C1008-T1490 HydrophobicContact CB-CG2 3.58Å; C1008-I1533 VanDerWaalsContact SG-CD1 3.56Å
1009G67.3Low57.7Low9 Ų974.3 Ų74.39%0.09338%0.381CS..EExtended strand (participates in β ladder)trans-143.6-176.817800000112.9L1025 T1490G1009-L1025 PolarHBondContact N-O 3.48Å; G1009-L1025 PolarHBondContact O-N 2.84Å; G1009-T1490 WeakPolarHBondContact O-CG2 3.41Å
1010Q67.8Low59Low22 Ų2271 Ų7110%0.10337%0.367CS..EExtended strand (participates in β ladder)trans-132.5146168.4-70.3-178.7-45.900108.9H1023 T1490 G1529Q1010-H1023 CarbonylContact C-O 3.57Å; Q1010-H1023 VanDerWaalsContact CA-O 3.28Å; Q1010-H1023 WeakPolarHBondContact CA-O 3.31Å; Q1010-T1490 PolarHBondContact NE2-O 3.17Å; Q1010-G1529 PolarHBondContact NE2-O 3.09Å
1011V66.1Low59.9Low3 Ų366.3 Ų66.32%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-120.5136.2167.7171.40000109.3Y1013 P1022 H1023 L1025 E1111V1011-Y1013 HydrophobicContact CB-CD2 4.33Å; V1011-Y1013 HydrophobicContact CB-CE2 3.99Å; V1011-Y1013 HydrophobicContact CG1-CD2 3.79Å; V1011-Y1013 HydrophobicContact CG1-CE2 3.49Å; V1011-Y1013 VanDerWaalsContact CG1-CE2 3.49Å; V1011-Y1013 PolarHBondContact O-N 2.64Å; V1011-P1022 WeakPolarHBondContact O-CA 3.37Å; V1011-H1023 PolarHBondContact N-O 2.97Å; V1011-H1023 PolarHBondContact O-N 2.92Å; V1011-L1025 HydrophobicContact CB-CD1 3.72Å; V1011-L1025 HydrophobicContact CG2-CD1 3.29Å; V1011-E1111 HydrophobicContact CG1-CG 4.47Å
1012Y64.5Low61.1Low119 Ų11964.7 Ų64.747%0.46733%0.334SS..EExtended strand (participates in β ladder)trans-94.782.5-174.3-70.7-69.8000111.1V1020 P1022Y1012-V1020 HydrophobicContact CD1-CG1 3.9Å; Y1012-V1020 HydrophobicContact CG-CG1 4.15Å; Y1012-P1022 HydrophobicContact CD1-CB 3.9Å; Y1012-P1022 HydrophobicContact CE1-CB 3.73Å; Y1012-P1022 HydrophobicContact CE1-CG 4.39Å
1013Y61.2Low62Low96 Ų9666.7 Ų66.738%0.37634%0.339SS..EExtended strand (participates in β ladder)trans-71.6147.7174.2-77.3-86.7000111.2V1011 V1020 C1021 H1023V1011-Y1013 HydrophobicContact CB-CD2 4.33Å; V1011-Y1013 HydrophobicContact CB-CE2 3.99Å; V1011-Y1013 HydrophobicContact CG1-CD2 3.79Å; V1011-Y1013 HydrophobicContact CG1-CE2 3.49Å; V1011-Y1013 VanDerWaalsContact CG1-CE2 3.49Å; V1011-Y1013 PolarHBondContact O-N 2.64Å; Y1013-V1020 CarbonylContact O-C 3.6Å; Y1013-V1020 WeakPolarHBondContact O-CA 3.5Å; Y1013-C1021 PolarHBondContact N-O 3.26Å; Y1013-C1021 PolarHBondContact O-N 3.12Å; Y1013-H1023 HydrophobicContact CD2-CB 4.32Å; Y1013-H1023 AromaticContact CD2-CD2 3.73Å
1014K57.1Low62.5Low162 Ų16262.4 Ų62.470%0.70432%0.319SS*.EExtended strand (participates in β ladder)trans-91.2118.6164.4-74.8178.4-179.9176.40109.2N1019 V1020K1014-N1019 CarbonylContact C-O 3.58Å; K1014-N1019 WeakPolarHBondContact CA-O 3.35Å; K1014-V1020 HydrophobicContact CG-CG2 4.06Å
1015D54.8Low63Low68 Ų6860.4 Ų60.436%0.36431%0.312SS..PPolyproline II helixtrans-61.3163.6165.6174.242.3000110.5N1017 G1018 N1019D1015-N1017 PolarHBondContact O-N 2.83Å; D1015-N1017 WeakPolarHBondContact OD2-CB 3.06Å; D1015-N1017 PolarHBondContact OD2-N 3Å; D1015-N1017 PolarHBondContact OD2-ND2 2.92Å; D1015-G1018 WeakPolarHBondContact O-CA 3.48Å; D1015-G1018 PolarHBondContact O-N 2.82Å; D1015-N1019 HydrophobicContact CB-CB 4.39Å; D1015-N1019 PolarHBondContact N-O 2.78Å
1016K61.9Low63.3Low209 Ų20959.3 Ų59.391%0.90931%0.305SS*.THydrogen-bonded Turntrans-51.8-31.1176.5-65.5-179.8178.8178.90112.8G1018K1016-G1018 PolarHBondContact O-N 2.9Å
1017N58.1Low63.6Low128 Ų12858.1 Ų58.168%0.68430%0.298SS*.THydrogen-bonded Turntrans-80.48.1177.2-59.8-40.6000114D1015 N1019D1015-N1017 PolarHBondContact O-N 2.83Å; D1015-N1017 WeakPolarHBondContact OD2-CB 3.06Å; D1015-N1017 PolarHBondContact OD2-N 3Å; D1015-N1017 PolarHBondContact OD2-ND2 2.92Å; N1017-N1019 PolarHBondContact O-N 2.97Å
1018G53.4Low63.9Low46 Ų4657.9 Ų57.947%0.47430%0.296SS..SBendtrans75.4-6.8-175.200000114.8D1015 K1016D1015-G1018 WeakPolarHBondContact O-CA 3.48Å; D1015-G1018 PolarHBondContact O-N 2.82Å; K1016-G1018 PolarHBondContact O-N 2.9Å
1019N41.5Very low64.2Low100 Ų10056.6 Ų56.654%0.53529%0.287SS..  trans-64.1132.2178.6-74.7-37.4000111.3K1014 D1015 N1017 C1021K1014-N1019 CarbonylContact C-O 3.58Å; K1014-N1019 WeakPolarHBondContact CA-O 3.35Å; D1015-N1019 HydrophobicContact CB-CB 4.39Å; D1015-N1019 PolarHBondContact N-O 2.78Å; N1017-N1019 PolarHBondContact O-N 2.97Å; N1019-C1021 PolarHBondContact O-N 2.78Å
1020V55.3Low64.3Low60 Ų6056.4 Ų56.436%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-86.9102.7-179.9-177.90000109.7Y1012 Y1013 K1014Y1012-V1020 HydrophobicContact CD1-CG1 3.9Å; Y1012-V1020 HydrophobicContact CG-CG1 4.15Å; Y1013-V1020 CarbonylContact O-C 3.6Å; Y1013-V1020 WeakPolarHBondContact O-CA 3.5Å; K1014-V1020 HydrophobicContact CG-CG2 4.06Å
1021C51.4Low63.9Low50 Ų5056.6 Ų56.634%0.33829%0.287SS..EExtended strand (participates in β ladder)trans-99.7121.3-179.1-67.10000110.4Y1013 N1019 H1023Y1013-C1021 PolarHBondContact N-O 3.26Å; Y1013-C1021 PolarHBondContact O-N 3.12Å; N1019-C1021 PolarHBondContact O-N 2.78Å; C1021-H1023 PolarHBondContact O-N 3.11Å
1022P60.4Low63.3Low30 Ų3063 Ų6320%0.19531%0.311CS..EExtended strand (participates in β ladder)trans-76.3119.717128.7-29.5000110.5V1011 Y1012V1011-P1022 WeakPolarHBondContact O-CA 3.37Å; Y1012-P1022 HydrophobicContact CD1-CB 3.9Å; Y1012-P1022 HydrophobicContact CE1-CB 3.73Å; Y1012-P1022 HydrophobicContact CE1-CG 4.39Å
1023H65.7Low62.1Low79 Ų7960.5 Ų60.537%0.36631%0.311SS..EExtended strand (participates in β ladder)trans-95.9136.8162.5-77.6-47.6000109.7Q1010 V1011 Y1013 C1021 D1051Q1010-H1023 CarbonylContact C-O 3.57Å; Q1010-H1023 VanDerWaalsContact CA-O 3.28Å; Q1010-H1023 WeakPolarHBondContact CA-O 3.31Å; V1011-H1023 PolarHBondContact N-O 2.97Å; V1011-H1023 PolarHBondContact O-N 2.92Å; Y1013-H1023 HydrophobicContact CD2-CB 4.32Å; Y1013-H1023 AromaticContact CD2-CD2 3.73Å; C1021-H1023 PolarHBondContact O-N 3.11Å; H1023-D1051 IonicContact CE1-OD2 2.79Å; H1023-D1051 IonicContact CG-OD2 3.45Å; H1023-D1051 IonicContact ND1-OD2 3.42Å; H1023-D1051 PolarHBondContact ND1-OD2 3.03Å
1024G69.8Low61Low0 Ų066 Ų660%033%0.333CS..EExtended strand (participates in β ladder)trans-73.8135.6173.100000111.3A1050 D1051G1024-A1050 WeakPolarHBondContact O-CB 3.48Å; G1024-A1050 PolarHBondContact O-N 3.04Å; G1024-D1051 WeakPolarHBondContact CA-OD1 3.45Å; G1024-D1051 PolarHBondContact N-OD1 2.83Å
1025L74.7Confident59.8Low3 Ų364.3 Ų64.32%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-126.1138.2-178.2-111.4151.4000110.7G1009 V1011 L1047 L1056 F1090 T1490G1009-L1025 PolarHBondContact N-O 3.48Å; G1009-L1025 PolarHBondContact O-N 2.84Å; V1011-L1025 HydrophobicContact CB-CD1 3.72Å; V1011-L1025 HydrophobicContact CG2-CD1 3.29Å; L1025-L1047 HydrophobicContact CD2-CB 4.22Å; L1025-L1047 HydrophobicContact CD2-CD2 3.97Å; L1025-L1056 HydrophobicContact CD2-CD1 3.68Å; L1025-L1056 HydrophobicContact CG-CD1 4.15Å; L1025-F1090 HydrophobicContact CB-CE1 4.44Å; L1025-F1090 HydrophobicContact CB-CZ 4.34Å; L1025-T1490 WeakPolarHBondContact O-CG2 3.5Å
1026L78Confident58.8Low0 Ų073 Ų730%036%0.358CS..EExtended strand (participates in β ladder)trans-129.2119.5-173.4-176.988.1000109.6V1006 V1028 L1047 W1048 I1533 L1542V1006-L1026 HydrophobicContact CG1-CD1 3.61Å; V1006-L1026 HydrophobicContact CG1-CG 4.28Å; L1026-V1028 HydrophobicContact CD2-CG2 3.45Å; L1026-V1028 VanDerWaalsContact CD2-CG2 3.45Å; L1026-V1028 HydrophobicContact CG-CG2 3.68Å; L1026-L1047 WeakPolarHBondContact O-CA 3.28Å; L1026-W1048 HydrophobicContact CB-CB 4.28Å; L1026-W1048 HydrophobicContact CD2-CB 4.18Å; L1026-W1048 HydrophobicContact CD2-CG 4.5Å; L1026-W1048 PolarHBondContact N-O 3.31Å; L1026-W1048 PolarHBondContact O-N 2.8Å; L1026-I1533 HydrophobicContact CD1-CD1 3.73Å; L1026-I1533 HydrophobicContact CD1-CG1 4.43Å; L1026-I1533 HydrophobicContact CD1-CG2 4.16Å; L1026-L1542 HydrophobicContact CD1-CD1 4.46Å; L1026-L1542 HydrophobicContact CD2-CD1 3.78Å; L1026-L1542 HydrophobicContact CD2-CD2 3.39Å; L1026-L1542 HydrophobicContact CD2-CG 4.22Å
1027A81Confident57.6Low0 Ų069.8 Ų69.80%035%0.349CS..EExtended strand (participates in β ladder)trans-102119.7174.800000109.8V1006 A1007 I1045 Q1046 L1047 M1088 F1090 L1096V1006-A1027 CarbonylContact C-O 3.56Å; V1006-A1027 VanDerWaalsContact CA-O 3.28Å; V1006-A1027 WeakPolarHBondContact CA-O 3.48Å; A1007-A1027 HydrophobicContact CB-CB 4.35Å; A1007-A1027 PolarHBondContact N-O 2.79Å; A1007-A1027 PolarHBondContact O-N 2.81Å; A1027-I1045 HydrophobicContact CB-CG2 3.83Å; A1027-Q1046 WeakPolarHBondContact CA-O 3.35Å; A1027-L1047 HydrophobicContact CB-CD2 3.77Å; A1027-M1088 HydrophobicContact CB-CE 4.36Å; A1027-F1090 HydrophobicContact CB-CE2 3.76Å; A1027-F1090 HydrophobicContact CB-CZ 3.82Å; A1027-L1096 HydrophobicContact CB-CD1 3.82Å; A1027-L1096 HydrophobicContact CB-CD2 3.76Å; A1027-L1096 HydrophobicContact CB-CG 4.46Å
1028V79.3Confident56.3Low0 Ų072.9 Ų72.90%036%0.356CS..EExtended strand (participates in β ladder)trans-125133.9-175-175.70000111.1L979 W1004 V1006 L1026 Q1046 L1542L979-V1028 HydrophobicContact CD2-CG1 4.08Å; W1004-V1028 HydrophobicContact CD2-CG1 4.38Å; W1004-V1028 HydrophobicContact CE3-CG1 3.45Å; W1004-V1028 VanDerWaalsContact CE3-CG1 3.45Å; W1004-V1028 HydrophobicContact CZ3-CG1 3.64Å; V1006-V1028 HydrophobicContact CG1-CG2 4.34Å; V1006-V1028 HydrophobicContact CG2-CG1 4.26Å; V1006-V1028 HydrophobicContact CG2-CG2 4.35Å; L1026-V1028 HydrophobicContact CD2-CG2 3.45Å; L1026-V1028 VanDerWaalsContact CD2-CG2 3.45Å; L1026-V1028 HydrophobicContact CG-CG2 3.68Å; V1028-Q1046 PolarHBondContact N-O 3.32Å; V1028-Q1046 PolarHBondContact O-N 3.35Å; V1028-L1542 HydrophobicContact CG2-CD1 4.39Å
1029T78.1Confident55.2Low5 Ų575.2 Ų75.23%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-154.6145.4174.1-168.50000112.4W1004 T1005 V1044 I1045 I1085 M1088W1004-T1029 VanDerWaalsContact CE3-C 3.44Å; T1005-T1029 PolarHBondContact N-O 2.81Å; T1005-T1029 PolarHBondContact O-N 2.89Å; T1005-T1029 WeakPolarHBondContact OG1-CG2 3.37Å; T1005-T1029 PolarHBondContact OG1-O 2.78Å; T1029-V1044 WeakPolarHBondContact CB-O 3.49Å; T1029-V1044 PolarHBondContact OG1-O 2.93Å; T1029-I1045 HydrophobicContact CG2-CG1 4.33Å; T1029-I1085 HydrophobicContact CG2-CB 4.32Å; T1029-I1085 HydrophobicContact CG2-CD1 3.57Å; T1029-I1085 HydrophobicContact CG2-CG2 4.4Å; T1029-M1088 HydrophobicContact CG2-CE 3.7Å; T1029-M1088 HydrophobicContact CG2-SD 4.14Å
1030S69.7Low55.3Low5 Ų579.3 Ų79.34%0.03538%0.375CS..EExtended strand (participates in β ladder)trans-98.5131.6-176.6-179.70000112E1003E1003-S1030 PolarHBondContact O-OG 3.23Å
1031V60.1Low55.3Low26 Ų2678.5 Ų78.516%0.15837%0.37CS..SBendtrans-82.8-29.8-173.3-173.40000112E1003 T1005E1003-V1031 HydrophobicContact CB-CB 3.99Å; E1003-V1031 HydrophobicContact CB-CG2 4.37Å; E1003-V1031 PolarHBondContact O-N 2.88Å; T1005-V1031 HydrophobicContact CG2-CG2 3.8Å
1032R52.9Low55.6Low136 Ų13677.6 Ų77.651%0.51336%0.364SS..  trans-150.2135.4-176.2-79.6-171.3176.8124.9-11.1114.8E1003E1003-R1032 IonicContact OE1-NH1 3.69Å; E1003-R1032 WeakPolarHBondContact OE2-CD 3.29Å; E1003-R1032 IonicContact OE2-CZ 3.91Å; E1003-R1032 IonicContact OE2-NE 2.77Å; E1003-R1032 IonicContact OE2-NH1 2.69Å; E1003-R1032 PolarHBondContact OE2-NH1 2.93Å
1033S38.8Very low56.1Low67 Ų6779.5 Ų79.547%0.46937%0.37SS..  trans-143.7118158.961.40000109.9
1034Y39.2Very low56.7Low212 Ų21277.2 Ų77.283%0.83136%0.361SS*.  trans-95.9-1.7180-95.9-79.1000114.4
1035I32.4Very low57.4Low127 Ų12777.2 Ų77.265%0.65136%0.361SS*.  trans-76.4129.6-177.7-62.5172.4000109.7I1037I1035-I1037 HydrophobicContact CG2-CB 4.2Å; I1035-I1037 HydrophobicContact CG2-CD1 4.07Å; I1035-I1037 HydrophobicContact CG2-CG1 3.98Å; I1035-I1037 PolarHBondContact O-N 2.83Å
1036R33.9Very low57.8Low251 Ų25179 Ų7995%0.94737%0.369SS*.  trans-78.220.9-170.5-152.6-175.4-74.2-166-1.3114.5
1037I36.1Very low58.1Low140 Ų14079 Ų7972%0.71837%0.369SS*.SBendtrans-106.7107.9-176.5-56.4174.4000108.5I1035I1035-I1037 HydrophobicContact CG2-CB 4.2Å; I1035-I1037 HydrophobicContact CG2-CD1 4.07Å; I1035-I1037 HydrophobicContact CG2-CG1 3.98Å; I1035-I1037 PolarHBondContact O-N 2.83Å
1038K31.7Very low58Low194 Ų19480.3 Ų80.384%0.84338%0.375SS*.SBendtrans40.878.3176.1-69.5-175.1176.9177.50115.5Y1040K1038-Y1040 PolarHBondContact O-N 2.85Å
1039S29.3Very low57.8Low94 Ų9481 Ų8166%0.65738%0.379SS*.  trans-60.192.4-175.7170.60000116.6
1040Y44.1Very low57.5Low187 Ų18780.8 Ų80.873%0.73338%0.378SS*.  trans-142.8113.2161.3-70.7-90.9000109.8K1038K1038-Y1040 PolarHBondContact O-N 2.85Å
1041P54.3Low57.4Low42 Ų4283 Ų8327%0.27339%0.389SS..SBend-144.1-32.5115.835.5-22.5000117.1K1043 V1044P1041-K1043 PolarHBondContact O-N 3.05Å; P1041-V1044 PolarHBondContact O-N 3.11Å; P1041-V1044 VanDerWaalsContact O-N 3.16Å
1042S58.1Low57.8Low31 Ų3184.3 Ų84.322%0.21740%0.4CS..THydrogen-bonded Turntrans-62.53.6-168.6178.70000116.9
1043K71.7Confident58.5Low71 Ų7178.5 Ų78.531%0.30938%0.382SS..THydrogen-bonded Turntrans-98.1-5.2178.2-62.2-178.1-176.5178.90113.5P1041 R1061 Y1062 F1082P1041-K1043 PolarHBondContact O-N 3.05Å; K1043-R1061 PolarHBondContact O-N 3.36Å; K1043-Y1062 HydrophobicContact CB-CD2 4.42Å; K1043-F1082 HydrophobicContact CD-CD1 4.47Å; K1043-F1082 HydrophobicContact CD-CE1 4.09Å; K1043-F1082 HydrophobicContact CD-CZ 4.36Å; K1043-F1082 VanDerWaalsContact CE-CZ 3.41Å; K1043-F1082 HydrophobicContact CG-CD1 4.26Å; K1043-F1082 HydrophobicContact CG-CE1 4.36Å
1044V77.6Confident60Low30 Ų3080.1 Ų80.118%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-130.1140.8-173.71800000109.6T1029 P1041 Q1046 D1058 L1059T1029-V1044 WeakPolarHBondContact CB-O 3.49Å; T1029-V1044 PolarHBondContact OG1-O 2.93Å; P1041-V1044 PolarHBondContact O-N 3.11Å; P1041-V1044 VanDerWaalsContact O-N 3.16Å; V1044-Q1046 HydrophobicContact CG1-CG 4.11Å; V1044-D1058 HydrophobicContact CG1-CB 3.56Å; V1044-L1059 WeakPolarHBondContact CA-O 3.4Å
1045I84.9Confident61.7Low0 Ų073.4 Ų73.40%036%0.364CS..EExtended strand (participates in β ladder)trans-106.8123.6159.2-55.3164.3000106.5A1027 T1029 L1059 R1061 I1085 M1088 L1096 V1098A1027-I1045 HydrophobicContact CB-CG2 3.83Å; T1029-I1045 HydrophobicContact CG2-CG1 4.33Å; I1045-L1059 HydrophobicContact CB-CB 4.1Å; I1045-L1059 HydrophobicContact CB-CD1 4.31Å; I1045-L1059 PolarHBondContact N-O 2.03Å; I1045-L1059 WeakPolarHBondContact O-CB 3.32Å; I1045-L1059 PolarHBondContact O-N 2.91Å; I1045-R1061 HydrophobicContact CD1-CG 4.28Å; I1045-R1061 HydrophobicContact CG1-CG 4.38Å; I1045-I1085 HydrophobicContact CD1-CD1 3.79Å; I1045-I1085 HydrophobicContact CG1-CD1 3.71Å; I1045-M1088 HydrophobicContact CD1-SD 3.91Å; I1045-M1088 HydrophobicContact CG1-SD 4.27Å; I1045-M1088 HydrophobicContact CG2-CE 4.48Å; I1045-M1088 HydrophobicContact CG2-SD 4.17Å; I1045-L1096 HydrophobicContact CD1-CD2 4.13Å; I1045-L1096 HydrophobicContact CG2-CD2 4.14Å; I1045-V1098 HydrophobicContact CD1-CG1 4.3Å; I1045-V1098 HydrophobicContact CD1-CG2 3.83Å
1046Q83.2Confident63.7Low41 Ų4171.3 Ų71.319%0.19235%0.353CS..EExtended strand (participates in β ladder)trans-89.6124.2180-54.1-156.1-81.700109A1027 V1028 V1044 L1055 D1058A1027-Q1046 WeakPolarHBondContact CA-O 3.35Å; V1028-Q1046 PolarHBondContact N-O 3.32Å; V1028-Q1046 PolarHBondContact O-N 3.35Å; V1044-Q1046 HydrophobicContact CG1-CG 4.11Å; Q1046-L1055 HydrophobicContact CB-CD1 3.84Å; Q1046-D1058 WeakPolarHBondContact CG-OD1 3.39Å; Q1046-D1058 PolarHBondContact NE2-OD1 3.16Å
1047L84.8Confident65.7Low0 Ų062.5 Ų62.50%032%0.322CS..EExtended strand (participates in β ladder)trans-98.9116.5175-73.2173.9000109.8L1025 L1026 A1027 L1056 F1057 L1059 F1090 C1110L1025-L1047 HydrophobicContact CD2-CB 4.22Å; L1025-L1047 HydrophobicContact CD2-CD2 3.97Å; L1026-L1047 WeakPolarHBondContact O-CA 3.28Å; A1027-L1047 HydrophobicContact CB-CD2 3.77Å; L1047-L1056 WeakPolarHBondContact O-CB 3.43Å; L1047-L1056 PolarHBondContact O-N 2.91Å; L1047-F1057 HydrophobicContact CD1-CD2 4.36Å; L1047-F1057 HydrophobicContact CD1-CE1 4.1Å; L1047-F1057 HydrophobicContact CD1-CE2 3.63Å; L1047-F1057 HydrophobicContact CD1-CZ 3.47Å; L1047-F1057 VanDerWaalsContact CD1-CZ 3.47Å; L1047-F1057 PolarHBondContact N-O 3.34Å; L1047-F1057 PolarHBondContact O-N 3.4Å; L1047-L1059 HydrophobicContact CD1-CD1 3.77Å; L1047-L1059 HydrophobicContact CD1-CG 3.9Å; L1047-L1059 HydrophobicContact CG-CD1 4.14Å; L1047-L1059 HydrophobicContact CG-CG 4.37Å; L1047-F1090 HydrophobicContact CD2-CZ 4.12Å; L1047-C1110 HydrophobicContact CD1-CB 4.06Å
1048W78.7Confident67.8Low28 Ų2858.9 Ų58.911%0.10630%0.304CS..EExtended strand (participates in β ladder)trans-110.1143.4178.2-60.883.1000110.5I977 L1026 A1050 G1053 L1055I977-W1048 HydrophobicContact CD1-CE3 4.44Å; I977-W1048 HydrophobicContact CG2-CD2 3.71Å; I977-W1048 HydrophobicContact CG2-CE3 3.44Å; I977-W1048 VanDerWaalsContact CG2-CE3 3.44Å; I977-W1048 HydrophobicContact CG2-CH2 3.63Å; I977-W1048 HydrophobicContact CG2-CZ2 3.88Å; I977-W1048 HydrophobicContact CG2-CZ3 3.4Å; I977-W1048 VanDerWaalsContact CG2-CZ3 3.4Å; L1026-W1048 HydrophobicContact CB-CB 4.28Å; L1026-W1048 HydrophobicContact CD2-CB 4.18Å; L1026-W1048 HydrophobicContact CD2-CG 4.5Å; L1026-W1048 PolarHBondContact N-O 3.31Å; L1026-W1048 PolarHBondContact O-N 2.8Å; W1048-A1050 PolarHBondContact O-N 3.14Å; W1048-G1053 VanDerWaalsContact CE3-O 3.25Å; W1048-G1053 WeakPolarHBondContact CZ3-O 3.37Å; W1048-L1055 HydrophobicContact CD2-CB 4.15Å; W1048-L1055 HydrophobicContact CD2-CD1 3.95Å; W1048-L1055 HydrophobicContact CE3-CB 3.81Å; W1048-L1055 HydrophobicContact CE3-CD1 4.48Å; W1048-L1055 HydrophobicContact CG-CD1 4.29Å; W1048-L1055 HydrophobicContact CH2-CB 4.05Å; W1048-L1055 HydrophobicContact CZ2-CB 4.35Å; W1048-L1055 HydrophobicContact CZ2-CD1 4.06Å; W1048-L1055 HydrophobicContact CZ3-CB 3.75Å
1049C75.1Confident70.3Confident13 Ų1349.8 Ų49.89%0.08827%0.265CS..EExtended strand (participates in β ladder)trans-78115.7167.8178.30000108.9D1051 S1052 G1053 N1054 L1056C1049-D1051 PolarHBondContact O-N 3Å; C1049-S1052 WeakPolarHBondContact CB-OG 3.29Å; C1049-S1052 PolarHBondContact O-N 3.35Å; C1049-S1052 PolarHBondContact SG-OG 3.33Å; C1049-G1053 WeakPolarHBondContact O-CA 3.36Å; C1049-G1053 PolarHBondContact O-N 3.06Å; C1049-N1054 PolarHBondContact N-O 2.88Å; C1049-L1056 HydrophobicContact CB-CD1 3.98Å; C1049-L1056 HydrophobicContact CB-CD2 4.05Å; C1049-L1056 HydrophobicContact CB-CG 3.93Å
1050A70.9Confident72.7Confident2 Ų252 Ų522%0.01726%0.262CS..THydrogen-bonded Turntrans-67-23.5-179.500000112.6L975 G1024 W1048 T1490 V1544L975-A1050 WeakPolarHBondContact CD2-O 3.34Å; G1024-A1050 WeakPolarHBondContact O-CB 3.48Å; G1024-A1050 PolarHBondContact O-N 3.04Å; W1048-A1050 PolarHBondContact O-N 3.14Å; A1050-T1490 HydrophobicContact CB-CG2 4.39Å; A1050-V1544 HydrophobicContact CB-CG1 4.27Å
1051D68.7Low74.5Confident51 Ų5143.1 Ų43.127%0.27323%0.228SC..THydrogen-bonded Turntrans-80.7-34.1-176.9-53.728.8000112.3H1023 G1024 C1049 Y1531H1023-D1051 IonicContact CE1-OD2 2.79Å; H1023-D1051 IonicContact CG-OD2 3.45Å; H1023-D1051 IonicContact ND1-OD2 3.42Å; H1023-D1051 PolarHBondContact ND1-OD2 3.03Å; G1024-D1051 WeakPolarHBondContact CA-OD1 3.45Å; G1024-D1051 PolarHBondContact N-OD1 2.83Å; C1049-D1051 PolarHBondContact O-N 3Å; D1051-Y1531 PolarHBondContact OD1-OH 3.37Å; D1051-Y1531 PolarHBondContact OD2-OH 2.84Å
1052S67.9Low75.7Confident54 Ų5443.4 Ų43.438%0.37822%0.223SC..THydrogen-bonded Turntrans-117.8-14-17367.50000114.9C1049 N1054C1049-S1052 WeakPolarHBondContact CB-OG 3.29Å; C1049-S1052 PolarHBondContact O-N 3.35Å; C1049-S1052 PolarHBondContact SG-OG 3.33Å; S1052-N1054 WeakPolarHBondContact CB-ND2 3.21Å; S1052-N1054 PolarHBondContact O-N 3.45Å; S1052-N1054 PolarHBondContact OG-ND2 3.38Å; S1052-N1054 VanDerWaalsContact OG-ND2 3.11Å
1053G67.9Low76.4Confident13 Ų1343.8 Ų43.813%0.13423%0.226CC..  trans72.83.7-178.400000114.6L975 W1048 C1049L975-G1053 VanDerWaalsContact CD2-N 3.32Å; W1048-G1053 VanDerWaalsContact CE3-O 3.25Å; W1048-G1053 WeakPolarHBondContact CZ3-O 3.37Å; C1049-G1053 WeakPolarHBondContact O-CA 3.36Å; C1049-G1053 PolarHBondContact O-N 3.06Å
1054N70.3Confident76.1Confident102 Ų10248.6 Ų48.655%0.54525%0.25SC..  trans-76.6138.2175.1-65.1-55.9000110.7C1049 S1052 L1056C1049-N1054 PolarHBondContact N-O 2.88Å; S1052-N1054 WeakPolarHBondContact CB-ND2 3.21Å; S1052-N1054 PolarHBondContact O-N 3.45Å; S1052-N1054 PolarHBondContact OG-ND2 3.38Å; S1052-N1054 VanDerWaalsContact OG-ND2 3.11Å; N1054-L1056 PolarHBondContact O-N 2.92Å
1055L73.6Confident75.8Confident71 Ų7152.7 Ų52.737%0.37227%0.267SS..EExtended strand (participates in β ladder)trans-66.4118.3163.6-17970.8000107.4Q1046 W1048Q1046-L1055 HydrophobicContact CB-CD1 3.84Å; W1048-L1055 HydrophobicContact CD2-CB 4.15Å; W1048-L1055 HydrophobicContact CD2-CD1 3.95Å; W1048-L1055 HydrophobicContact CE3-CB 3.81Å; W1048-L1055 HydrophobicContact CE3-CD1 4.48Å; W1048-L1055 HydrophobicContact CG-CD1 4.29Å; W1048-L1055 HydrophobicContact CH2-CB 4.05Å; W1048-L1055 HydrophobicContact CZ2-CB 4.35Å; W1048-L1055 HydrophobicContact CZ2-CD1 4.06Å; W1048-L1055 HydrophobicContact CZ3-CB 3.75Å
1056L74.1Confident75.1Confident82 Ų8253 Ų5343%0.42927%0.269SS..EExtended strand (participates in β ladder)trans-75.2-55.3177.6-68.2166.1000109.5L1025 L1047 C1049 N1054L1025-L1056 HydrophobicContact CD2-CD1 3.68Å; L1025-L1056 HydrophobicContact CG-CD1 4.15Å; L1047-L1056 WeakPolarHBondContact O-CB 3.43Å; L1047-L1056 PolarHBondContact O-N 2.91Å; C1049-L1056 HydrophobicContact CB-CD1 3.98Å; C1049-L1056 HydrophobicContact CB-CD2 4.05Å; C1049-L1056 HydrophobicContact CB-CG 3.93Å; N1054-L1056 PolarHBondContact O-N 2.92Å
1057F77.2Confident74.5Confident66 Ų6653.7 Ų53.729%0.28927%0.274SS..EExtended strand (participates in β ladder)trans-168.7167.1172.257.4-86.5000112.6L1047 L1059 C1110L1047-F1057 HydrophobicContact CD1-CD2 4.36Å; L1047-F1057 HydrophobicContact CD1-CE1 4.1Å; L1047-F1057 HydrophobicContact CD1-CE2 3.63Å; L1047-F1057 HydrophobicContact CD1-CZ 3.47Å; L1047-F1057 VanDerWaalsContact CD1-CZ 3.47Å; L1047-F1057 PolarHBondContact N-O 3.34Å; L1047-F1057 PolarHBondContact O-N 3.4Å; F1057-L1059 HydrophobicContact CD2-CD2 4.38Å; F1057-L1059 HydrophobicContact CD2-CG 4.48Å; F1057-L1059 HydrophobicContact CE2-CD2 3.67Å; F1057-L1059 HydrophobicContact CE2-CG 3.99Å; F1057-C1110 WeakPolarHBondContact CE1-O 3.36Å; F1057-C1110 VanDerWaalsContact CZ-O 3.26Å; F1057-C1110 WeakPolarHBondContact CZ-O 3.31Å
1058D80.1Confident73.7Confident64 Ų6459.2 Ų59.234%0.34230%0.302SS..EExtended strand (participates in β ladder)trans-98.7112.5176.5-84.8-13.1000111.2V1044 Q1046 K1060V1044-D1058 HydrophobicContact CG1-CB 3.56Å; Q1046-D1058 WeakPolarHBondContact CG-OD1 3.39Å; Q1046-D1058 PolarHBondContact NE2-OD1 3.16Å; D1058-K1060 PolarHBondContact O-N 3.23Å
1059L82.8Confident73.1Confident4 Ų462.5 Ų62.52%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-7092.6169.1-74174.8000110.2V1044 I1045 L1047 F1057 R1061 L1096 W1108 G1113V1044-L1059 WeakPolarHBondContact CA-O 3.4Å; I1045-L1059 HydrophobicContact CB-CB 4.1Å; I1045-L1059 HydrophobicContact CB-CD1 4.31Å; I1045-L1059 PolarHBondContact N-O 2.03Å; I1045-L1059 WeakPolarHBondContact O-CB 3.32Å; I1045-L1059 PolarHBondContact O-N 2.91Å; L1047-L1059 HydrophobicContact CD1-CD1 3.77Å; L1047-L1059 HydrophobicContact CD1-CG 3.9Å; L1047-L1059 HydrophobicContact CG-CD1 4.14Å; L1047-L1059 HydrophobicContact CG-CG 4.37Å; F1057-L1059 HydrophobicContact CD2-CD2 4.38Å; F1057-L1059 HydrophobicContact CD2-CG 4.48Å; F1057-L1059 HydrophobicContact CE2-CD2 3.67Å; F1057-L1059 HydrophobicContact CE2-CG 3.99Å; L1059-R1061 PolarHBondContact O-N 3.43Å; L1059-L1096 HydrophobicContact CD1-CD2 4.06Å; L1059-W1108 HydrophobicContact CD1-CB 4.29Å; L1059-W1108 HydrophobicContact CD1-CD2 4.42Å; L1059-W1108 HydrophobicContact CD1-CE3 4.49Å; L1059-W1108 HydrophobicContact CD1-CG 4.37Å; L1059-W1108 HydrophobicContact CD2-CD2 4.36Å; L1059-W1108 HydrophobicContact CD2-CE3 3.64Å; L1059-W1108 HydrophobicContact CD2-CZ3 4.06Å; L1059-G1113 VanDerWaalsContact CD2-O 3.3Å; L1059-G1113 WeakPolarHBondContact CD2-O 3.3Å
1060K81.4Confident72.8Confident141 Ų14163.7 Ų63.761%0.61332%0.32SS*.EExtended strand (participates in β ladder)trans-70.889.7175-68.9170.4-175.9167.10110.2D1058 Y1062 S1063D1058-K1060 PolarHBondContact O-N 3.23Å; K1060-Y1062 PolarHBondContact O-N 2.83Å; K1060-S1063 PolarHBondContact O-N 2.9Å
1061R82.3Confident72.3Confident0 Ų072 Ų720%036%0.355CS..THydrogen-bonded Turntrans-52.9-27.4-175.3-77.5-174.961.9-136.3-2.3114.5K1043 I1045 L1059 T1066 R1070 S1083 C1100 E1106 W1108K1043-R1061 PolarHBondContact O-N 3.36Å; I1045-R1061 HydrophobicContact CD1-CG 4.28Å; I1045-R1061 HydrophobicContact CG1-CG 4.38Å; L1059-R1061 PolarHBondContact O-N 3.43Å; R1061-T1066 PolarHBondContact O-OG1 2.84Å; R1061-R1070 PolarHBondContact O-NH1 2.77Å; R1061-R1070 PolarHBondContact O-NH2 2.92Å; R1061-S1083 PolarHBondContact NH1-O 3.32Å; R1061-S1083 PolarHBondContact NH2-OG 2.91Å; R1061-S1083 VanDerWaalsContact NH2-OG 3.13Å; R1061-C1100 PolarHBondContact NH2-SG 3.04Å; R1061-C1100 VanDerWaalsContact NH2-SG 3.41Å; R1061-E1106 IonicContact CZ-OE1 2.7Å; R1061-E1106 IonicContact CZ-OE2 3.87Å; R1061-E1106 IonicContact NE-OE1 2.75Å; R1061-E1106 PolarHBondContact NE-OE1 2.92Å; R1061-E1106 IonicContact NE-OE2 2.69Å; R1061-E1106 PolarHBondContact NE-OE2 3.28Å; R1061-E1106 VanDerWaalsContact NH2-CD 3.34Å; R1061-E1106 IonicContact NH2-OE1 3.57Å; R1061-E1106 PolarHBondContact NH2-OE1 2.89Å; R1061-E1106 IonicContact NH2-OE2 3.84Å; R1061-W1108 HydrophobicContact CB-CZ2 4.26Å; R1061-W1108 HydrophobicContact CG-CH2 4.44Å; R1061-W1108 HydrophobicContact CG-CZ2 3.83Å
1062Y79Confident71.9Confident47 Ų4774.4 Ų74.418%0.18438%0.376CS..THydrogen-bonded Turntrans-119.737.6-174.8-61.2-91.9000113.1K1043 K1060 N1067 F1082 S1083K1043-Y1062 HydrophobicContact CB-CD2 4.42Å; K1060-Y1062 PolarHBondContact O-N 2.83Å; Y1062-N1067 PolarHBondContact O-ND2 3.32Å; Y1062-F1082 AromaticContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CE1 4.18Å; Y1062-F1082 AromaticContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CE1 4.29Å; Y1062-F1082 AromaticContact CE1-CD1 3.91Å; Y1062-F1082 HydrophobicContact CE1-CD1 3.91Å; Y1062-F1082 AromaticContact CE2-CD1 3.85Å; Y1062-F1082 HydrophobicContact CE2-CD1 3.85Å; Y1062-F1082 AromaticContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CE1 4.04Å; Y1062-F1082 AromaticContact CZ-CD1 3.87Å; Y1062-S1083 PolarHBondContact OH-N 3.09Å; Y1062-S1083 PolarHBondContact OH-OG 3.48Å
1063S72Confident71.5Confident39 Ų3973.4 Ų73.427%0.27337%0.366SS..  trans-62163.8166.467.60000112.4K1060 E1065 T1066 N1067K1060-S1063 PolarHBondContact O-N 2.9Å; S1063-E1065 PolarHBondContact O-N 3.4Å; S1063-T1066 PolarHBondContact N-OG1 2.95Å; S1063-T1066 PolarHBondContact O-N 3.37Å; S1063-T1066 PolarHBondContact O-OG1 2.89Å; S1063-T1066 WeakPolarHBondContact OG-CB 3.37Å; S1063-T1066 WeakPolarHBondContact OG-CG2 3.28Å; S1063-T1066 PolarHBondContact OG-N 2.87Å; S1063-T1066 PolarHBondContact OG-OG1 3.22Å; S1063-N1067 WeakPolarHBondContact O-CB 3.4Å; S1063-N1067 PolarHBondContact O-N 2.89Å; S1063-N1067 PolarHBondContact O-ND2 2.66Å
1064E66.4Low71.1Confident173 Ų17375.3 Ų75.381%0.80838%0.377SS*.Hα-helixtrans-61.8-43.2179.2-61.3-164.4136.100112.4T1066 N1067 I1068E1064-T1066 PolarHBondContact O-N 2.9Å; E1064-N1067 CarbonylContact O-C 3.55Å; E1064-N1067 PolarHBondContact O-N 2.85Å; E1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; E1064-I1068 PolarHBondContact O-N 2.93Å
1065E70.4Confident70.1Confident116 Ų11675.7 Ų75.754%0.54239%0.387SS..Hα-helixtrans-53.8-48.1172.8-63.6176.6-169.700112.9S1063 N1067 I1068 K1069 H1114S1063-E1065 PolarHBondContact O-N 3.4Å; E1065-N1067 VanDerWaalsContact C-N 3.3Å; E1065-N1067 PolarHBondContact O-N 3.2Å; E1065-I1068 WeakPolarHBondContact O-CB 3.49Å; E1065-I1068 PolarHBondContact O-N 2.81Å; E1065-I1068 VanDerWaalsContact O-N 3.12Å; E1065-K1069 PolarHBondContact O-N 3.45Å; E1065-H1114 IonicContact OE2-CE1 3.9Å; E1065-H1114 PolarHBondContact OE2-CE1 3.36Å; E1065-H1114 IonicContact OE2-ND1 2.67Å; E1065-H1114 PolarHBondContact OE2-ND1 2.87Å; E1065-H1114 VanDerWaalsContact OE2-ND1 3.11Å
1066T70.6Confident69Low6 Ų676.8 Ų76.84%0.03740%0.401CS..Hα-helixtrans-74.9-25.4-17759.80000111.5R1061 S1063 E1064 K1069 R1070 W1108 L1115R1061-T1066 PolarHBondContact O-OG1 2.84Å; S1063-T1066 PolarHBondContact N-OG1 2.95Å; S1063-T1066 PolarHBondContact O-N 3.37Å; S1063-T1066 PolarHBondContact O-OG1 2.89Å; S1063-T1066 WeakPolarHBondContact OG-CB 3.37Å; S1063-T1066 WeakPolarHBondContact OG-CG2 3.28Å; S1063-T1066 PolarHBondContact OG-N 2.87Å; S1063-T1066 PolarHBondContact OG-OG1 3.22Å; E1064-T1066 PolarHBondContact O-N 2.9Å; T1066-K1069 PolarHBondContact O-N 3.41Å; T1066-R1070 PolarHBondContact O-N 3.17Å; T1066-R1070 PolarHBondContact O-NH1 2.92Å; T1066-W1108 HydrophobicContact CG2-CH2 3.58Å; T1066-W1108 HydrophobicContact CG2-CZ3 3.9Å; T1066-L1115 HydrophobicContact CG2-CB 3.96Å; T1066-L1115 HydrophobicContact CG2-CD2 4.28Å
1067N70Confident68Low56 Ų5673.8 Ų73.830%0.29939%0.388SS..Hα-helixtrans-72.3-26.6168.7-67.3-34.5000112.5Y1062 S1063 E1064 E1065 K1071Y1062-N1067 PolarHBondContact O-ND2 3.32Å; S1063-N1067 WeakPolarHBondContact O-CB 3.4Å; S1063-N1067 PolarHBondContact O-N 2.89Å; S1063-N1067 PolarHBondContact O-ND2 2.66Å; E1064-N1067 CarbonylContact O-C 3.55Å; E1064-N1067 PolarHBondContact O-N 2.85Å; E1065-N1067 VanDerWaalsContact C-N 3.3Å; E1065-N1067 PolarHBondContact O-N 3.2Å; N1067-K1071 VanDerWaalsContact O-CG 3.29Å; N1067-K1071 WeakPolarHBondContact O-CG 3.23Å; N1067-K1071 PolarHBondContact O-N 3.04Å; N1067-K1071 VanDerWaalsContact O-N 3.11Å
1068I67.9Low66.5Low115 Ų11574.1 Ų74.159%0.5940%0.403SS*.Hα-helixtrans-65.6-49.8168.5-63.6167.5000109.4E1064 E1065 R1070 K1071E1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; E1064-I1068 PolarHBondContact O-N 2.93Å; E1065-I1068 WeakPolarHBondContact O-CB 3.49Å; E1065-I1068 PolarHBondContact O-N 2.81Å; E1065-I1068 VanDerWaalsContact O-N 3.12Å; I1068-R1070 VanDerWaalsContact C-N 3.28Å; I1068-R1070 PolarHBondContact O-N 3.31Å; I1068-K1071 WeakPolarHBondContact O-CB 3.03Å; I1068-K1071 PolarHBondContact O-N 3.4Å
1069K67.6Low64.8Low97 Ų9776.3 Ų76.342%0.42242%0.422SS..Hα-helixtrans-62.5-28.1175.7-76.1-166.5174.8-1750114.1E1065 T1066 S1072 L1115 L1116E1065-K1069 PolarHBondContact O-N 3.45Å; T1066-K1069 PolarHBondContact O-N 3.41Å; K1069-S1072 PolarHBondContact O-OG 2.86Å; K1069-L1115 HydrophobicContact CB-CD2 3.94Å; K1069-L1115 HydrophobicContact CD-CD2 4.12Å; K1069-L1115 HydrophobicContact CD-CG 4.36Å; K1069-L1115 PolarHBondContact NZ-O 2.82Å; K1069-L1116 PolarHBondContact NZ-O 3.13Å
1070R68Low63.3Low39 Ų3983.8 Ų83.815%0.14745%0.45CS..Hα-helixtrans-79.5-18.1171.9-74.3-168.9-16082.8-4.8114.8R1061 T1066 I1068 S1072 L1073 E1106 I1118R1061-R1070 PolarHBondContact O-NH1 2.77Å; R1061-R1070 PolarHBondContact O-NH2 2.92Å; T1066-R1070 PolarHBondContact O-N 3.17Å; T1066-R1070 PolarHBondContact O-NH1 2.92Å; I1068-R1070 VanDerWaalsContact C-N 3.28Å; I1068-R1070 PolarHBondContact O-N 3.31Å; R1070-S1072 PolarHBondContact O-N 3.24Å; R1070-L1073 PolarHBondContact O-N 2.84Å; R1070-E1106 IonicContact CZ-OE1 3.73Å; R1070-E1106 IonicContact NE-OE1 3.35Å; R1070-E1106 PolarHBondContact NE-OE1 3.19Å; R1070-E1106 VanDerWaalsContact NH2-CD 3.32Å; R1070-E1106 IonicContact NH2-OE1 3.92Å; R1070-E1106 PolarHBondContact NH2-OE1 2.97Å; R1070-E1106 IonicContact NH2-OE2 2.72Å; R1070-E1106 PolarHBondContact NH2-OE2 3Å; R1070-I1118 HydrophobicContact CG-CD1 3.4Å
1071K59.4Low62.3Low176 Ų17686.3 Ų86.377%0.76546%0.461SS*.Hα-helixtrans-70.7-16.6176.2-81.3168.6-177.6178.10113.6N1067 I1068N1067-K1071 VanDerWaalsContact O-CG 3.29Å; N1067-K1071 WeakPolarHBondContact O-CG 3.23Å; N1067-K1071 PolarHBondContact O-N 3.04Å; N1067-K1071 VanDerWaalsContact O-N 3.11Å; I1068-K1071 WeakPolarHBondContact O-CB 3.03Å; I1068-K1071 PolarHBondContact O-N 3.4Å
1072S61.6Low61.7Low102 Ų10291.4 Ų91.471%0.71348%0.483SS*.THydrogen-bonded Turntrans-89.6-0.7173.447.50000114.6K1069 R1070K1069-S1072 PolarHBondContact O-OG 2.86Å; R1070-S1072 PolarHBondContact O-N 3.24Å
1073L59.8Low61.6Low32 Ų3289.4 Ų89.417%0.16848%0.476CS..SBendtrans-76.3154178.4-113.669.2000112.5R1070 A1077 T1104 I1118R1070-L1073 PolarHBondContact O-N 2.84Å; L1073-A1077 HydrophobicContact CD2-CB 4.06Å; L1073-T1104 HydrophobicContact CD2-CG2 3.76Å; L1073-I1118 HydrophobicContact CD1-CB 3.93Å; L1073-I1118 HydrophobicContact CD1-CD1 4.42Å; L1073-I1118 HydrophobicContact CD1-CG2 3.96Å; L1073-I1118 HydrophobicContact CD2-CG2 3.84Å
1074P58.5Low61.8Low54 Ų5489.7 Ų89.735%0.35148%0.476SS..  trans-56.2141.9174.8-25.535.5000112.9S1076 A1077 A1078P1074-S1076 PolarHBondContact O-N 3.22Å; P1074-A1077 PolarHBondContact O-N 3.26Å; P1074-A1078 PolarHBondContact O-N 3.45Å
1075S50.2Low62.6Low109 Ų10981.6 Ų81.676%0.76244%0.438SS*.THydrogen-bonded Turntrans-61.7-17.4-171.554.70000115.2
1076S50.4Low63.1Low94 Ų9481.1 Ų81.166%0.65743%0.432SS*.THydrogen-bonded Turntrans-68.2-32.5171.647.90000113.6P1074P1074-S1076 PolarHBondContact O-N 3.22Å
1077A51.6Low63.6Low20 Ų2081.8 Ų81.817%0.16544%0.436CS..THydrogen-bonded Turntrans-83.2-39.1177.500000111.7L1073 P1074 C1079 T1104L1073-A1077 HydrophobicContact CD2-CB 4.06Å; P1074-A1077 PolarHBondContact O-N 3.26Å; A1077-C1079 PolarHBondContact O-N 3.18Å; A1077-T1104 HydrophobicContact CB-CG2 4.3Å
1078A47.5Very low64.3Low72 Ų7280 Ų8060%0.59543%0.426SS*.THydrogen-bonded Turntrans-61.6-10.3-17500000115.7P1074P1074-A1078 PolarHBondContact O-N 3.45Å
1079C43.5Very low65Low110 Ų11076.8 Ų76.874%0.74341%0.41SS*.THydrogen-bonded Turntrans-88.3-7.2-170.5-160.90000115.3A1077A1077-C1079 PolarHBondContact O-N 3.18Å
1080R52.2Low65.6Low162 Ų16272.9 Ų72.961%0.61139%0.393SS*.SBendtrans-99116.4178.5-71.8-176.7174.9177.70.2110.9F1082 S1101R1080-F1082 VanDerWaalsContact C-N 3.28Å; R1080-F1082 PolarHBondContact O-N 2.88Å; R1080-F1082 VanDerWaalsContact O-N 3.13Å; R1080-S1101 PolarHBondContact NH1-O 2.96Å; R1080-S1101 VanDerWaalsContact NH1-O 3.12Å
1081K58.8Low66.1Low193 Ų19371.1 Ų71.184%0.83939%0.387SS*.SBendtrans-57.4-30.9-169-91.2-177172.5177.60115.7
1082F70.2Confident66.5Low108 Ų10864.3 Ų64.347%0.47436%0.36SS..SBendtrans-150.7134.9164.9-59.3-73.6000108K1043 Y1062 R1080K1043-F1082 HydrophobicContact CD-CD1 4.47Å; K1043-F1082 HydrophobicContact CD-CE1 4.09Å; K1043-F1082 HydrophobicContact CD-CZ 4.36Å; K1043-F1082 VanDerWaalsContact CE-CZ 3.41Å; K1043-F1082 HydrophobicContact CG-CD1 4.26Å; K1043-F1082 HydrophobicContact CG-CE1 4.36Å; Y1062-F1082 AromaticContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CD1 3.96Å; Y1062-F1082 HydrophobicContact CD1-CE1 4.18Å; Y1062-F1082 AromaticContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CD1 3.86Å; Y1062-F1082 HydrophobicContact CD2-CE1 4.29Å; Y1062-F1082 AromaticContact CE1-CD1 3.91Å; Y1062-F1082 HydrophobicContact CE1-CD1 3.91Å; Y1062-F1082 AromaticContact CE2-CD1 3.85Å; Y1062-F1082 HydrophobicContact CE2-CD1 3.85Å; Y1062-F1082 AromaticContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CD1 3.94Å; Y1062-F1082 HydrophobicContact CG-CE1 4.04Å; Y1062-F1082 AromaticContact CZ-CD1 3.87Å; R1080-F1082 VanDerWaalsContact C-N 3.28Å; R1080-F1082 PolarHBondContact O-N 2.88Å; R1080-F1082 VanDerWaalsContact O-N 3.13Å
1083S76.6Confident66.9Low5 Ų562.7 Ų62.74%0.03534%0.342CS..PPolyproline II helixtrans-95133.2171.761.90000111.5R1061 Y1062 D1102R1061-S1083 PolarHBondContact NH1-O 3.32Å; R1061-S1083 PolarHBondContact NH2-OG 2.91Å; R1061-S1083 VanDerWaalsContact NH2-OG 3.13Å; Y1062-S1083 PolarHBondContact OH-N 3.09Å; Y1062-S1083 PolarHBondContact OH-OG 3.48Å; S1083-D1102 WeakPolarHBondContact CB-OD2 3.49Å; S1083-D1102 PolarHBondContact OG-OD2 2.93Å
1084T77.2Confident67.5Low44 Ų4461.2 Ų61.227%0.2733%0.334SS..PPolyproline II helixtrans-76.9148.4170.856.80000110.4W1086 S1101T1084-W1086 PolarHBondContact OG1-NE1 3.08Å; T1084-S1101 PolarHBondContact N-OG 3.39Å; T1084-S1101 VanDerWaalsContact O-CB 3.31Å; T1084-S1101 WeakPolarHBondContact O-CB 3.4Å; T1084-S1101 PolarHBondContact O-N 3.5Å; T1084-S1101 PolarHBondContact O-OG 2.84Å; T1084-S1101 WeakPolarHBondContact OG1-CB 3.21Å; T1084-S1101 PolarHBondContact OG1-OG 2.96Å
1085I83.1Confident68.6Low4 Ų458.9 Ų58.92%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-83.6138.1173.6-63.2165000107.9T1029 I1045 M1088 V1098T1029-I1085 HydrophobicContact CG2-CB 4.32Å; T1029-I1085 HydrophobicContact CG2-CD1 3.57Å; T1029-I1085 HydrophobicContact CG2-CG2 4.4Å; I1045-I1085 HydrophobicContact CD1-CD1 3.79Å; I1045-I1085 HydrophobicContact CG1-CD1 3.71Å; I1085-M1088 HydrophobicContact CD1-SD 4.36Å; I1085-M1088 HydrophobicContact CG2-CG 3.57Å; I1085-M1088 HydrophobicContact CG2-SD 4.05Å; I1085-V1098 HydrophobicContact CB-CG1 4.34Å; I1085-V1098 HydrophobicContact CD1-CG1 3.83Å; I1085-V1098 HydrophobicContact CG1-CG1 3.64Å; I1085-V1098 HydrophobicContact CG2-CG1 3.83Å
1086W80.3Confident70.3Confident106 Ų10653.7 Ų53.740%0.40228%0.283SS..EExtended strand (participates in β ladder)trans-113.9-32.4177.5-74-4.2000112.3T1084 G1099 S1101 G1150 I1151 T1152T1084-W1086 PolarHBondContact OG1-NE1 3.08Å; W1086-G1099 PolarHBondContact N-O 2.85Å; W1086-S1101 VanDerWaalsContact CE2-CB 3.41Å; W1086-G1150 VanDerWaalsContact CZ3-CA 3.4Å; W1086-I1151 WeakPolarHBondContact CB-O 3.4Å; W1086-T1152 HydrophobicContact CE3-CG2 4.39Å; W1086-T1152 HydrophobicContact CZ3-CG2 4.48Å
1087C81.1Confident72.1Confident19 Ų1949.2 Ų49.213%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-148.4156.4174.456.70000111.2G1099C1087-G1099 PolarHBondContact N-O 2.65Å; C1087-G1099 PolarHBondContact O-N 2.75Å
1088M85.7Confident73.8Confident20 Ų2048.3 Ų48.310%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-145.2146.2175.7-66.3-170.8-62.500109T1005 A1007 A1027 T1029 I1045 I1085 L1096 V1097 V1098T1005-M1088 WeakPolarHBondContact O-CE 3.14Å; A1007-M1088 HydrophobicContact CB-CB 3.65Å; A1027-M1088 HydrophobicContact CB-CE 4.36Å; T1029-M1088 HydrophobicContact CG2-CE 3.7Å; T1029-M1088 HydrophobicContact CG2-SD 4.14Å; I1045-M1088 HydrophobicContact CD1-SD 3.91Å; I1045-M1088 HydrophobicContact CG1-SD 4.27Å; I1045-M1088 HydrophobicContact CG2-CE 4.48Å; I1045-M1088 HydrophobicContact CG2-SD 4.17Å; I1085-M1088 HydrophobicContact CD1-SD 4.36Å; I1085-M1088 HydrophobicContact CG2-CG 3.57Å; I1085-M1088 HydrophobicContact CG2-SD 4.05Å; M1088-L1096 HydrophobicContact CB-CD1 4.22Å; M1088-L1096 HydrophobicContact SD-CD2 4.44Å; M1088-V1097 CarbonylContact C-O 3.47Å; M1088-V1097 VanDerWaalsContact CA-O 3.29Å; M1088-V1097 WeakPolarHBondContact CA-O 3.43Å; M1088-V1098 HydrophobicContact CG-CB 4.34Å; M1088-V1098 HydrophobicContact CG-CG1 4.03Å; M1088-V1098 HydrophobicContact CG-CG2 4.12Å; M1088-V1098 HydrophobicContact SD-CG1 4.37Å; M1088-V1098 HydrophobicContact SD-CG2 4.18Å
1089D82.9Confident75.7Confident47 Ų4744.9 Ų44.925%0.25122%0.215SC..EExtended strand (participates in β ladder)trans-149.6156.9175.6-158.60.3000110.6V1097 I1154 I1156D1089-V1097 PolarHBondContact N-O 2.88Å; D1089-V1097 PolarHBondContact O-N 3.43Å; D1089-I1154 HydrophobicContact CB-CB 4.34Å; D1089-I1154 HydrophobicContact CB-CG2 3.97Å; D1089-I1156 HydrophobicContact CB-CD1 3.88Å; D1089-I1156 HydrophobicContact CB-CG1 4.46Å; D1089-I1156 VanDerWaalsContact CG-CD1 3.42Å; D1089-I1156 WeakPolarHBondContact OD2-CD1 3.43Å; D1089-I1156 WeakPolarHBondContact OD2-CG1 3.44Å
1090F79Confident77.6Confident15 Ų1539.6 Ų39.67%0.06618%0.18CC..EExtended strand (participates in β ladder)trans-109.5121.5-177.7-84.9-89.8000111.8A1007 L1025 A1027 L1047 L1095 L1096 I1156A1007-F1090 HydrophobicContact CB-CD2 3.78Å; A1007-F1090 HydrophobicContact CB-CE2 3.86Å; L1025-F1090 HydrophobicContact CB-CE1 4.44Å; L1025-F1090 HydrophobicContact CB-CZ 4.34Å; A1027-F1090 HydrophobicContact CB-CE2 3.76Å; A1027-F1090 HydrophobicContact CB-CZ 3.82Å; L1047-F1090 HydrophobicContact CD2-CZ 4.12Å; F1090-L1095 WeakPolarHBondContact CA-O 3.08Å; F1090-L1096 HydrophobicContact CD1-CB 4.38Å; F1090-L1096 HydrophobicContact CD1-CD1 4.4Å; F1090-L1096 HydrophobicContact CD2-CD1 3.96Å; F1090-L1096 HydrophobicContact CE1-CB 4.19Å; F1090-L1096 HydrophobicContact CE1-CD1 4.25Å; F1090-L1096 HydrophobicContact CE2-CD1 3.79Å; F1090-L1096 HydrophobicContact CG-CD1 4.28Å; F1090-L1096 HydrophobicContact CZ-CD1 3.96Å; F1090-I1156 WeakPolarHBondContact O-CD1 3.29Å
1091L78.3Confident79Confident2 Ų232.5 Ų32.51%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-68.7144.9167.5-71.5163.3000109.9Q1093 G1094 L1095 V1097 I1156 F1162 V1176 F1187L1091-Q1093 PolarHBondContact O-N 3.19Å; L1091-G1094 PolarHBondContact O-N 3.07Å; L1091-L1095 HydrophobicContact CB-CB 4.15Å; L1091-L1095 HydrophobicContact CB-CD1 4.49Å; L1091-L1095 HydrophobicContact CD1-CB 4.17Å; L1091-L1095 HydrophobicContact CD1-CD1 3.93Å; L1091-L1095 PolarHBondContact N-O 3.16Å; L1091-V1097 HydrophobicContact CD1-CG2 3.65Å; L1091-V1097 HydrophobicContact CG-CG2 3.87Å; L1091-I1156 HydrophobicContact CD2-CD1 3.91Å; L1091-I1156 HydrophobicContact CD2-CG1 4.07Å; L1091-I1156 HydrophobicContact CD2-CG2 3.92Å; L1091-I1156 HydrophobicContact CG-CD1 4.03Å; L1091-F1162 HydrophobicContact CD2-CD1 4.48Å; L1091-V1176 HydrophobicContact CD1-CG2 4.41Å; L1091-F1187 HydrophobicContact CD1-CE1 4.3Å
1092P69.3Low79.8Confident32 Ų3225.3 Ų25.321%0.20813%0.125CC..THydrogen-bonded Turntrans-54.8-13.6-177.1-28.534.2000116.5E1159 F1494P1092-E1159 HydrophobicContact CB-CG 4.09Å; P1092-E1159 HydrophobicContact CG-CG 4.2Å; P1092-F1494 HydrophobicContact CG-CE2 4.4Å
1093Q69.9Low80Confident69 Ų6920.4 Ų20.432%0.32211%0.106SC..THydrogen-bonded Turntrans-9513.5179.2-57.6-175.7-0.700113.4L1091 E1159 Y1178L1091-Q1093 PolarHBondContact O-N 3.19Å; Q1093-E1159 PolarHBondContact NE2-OE2 3.37Å; Q1093-E1159 VanDerWaalsContact NE2-OE2 3.11Å; Q1093-Y1178 VanDerWaalsContact CD-OH 3.31Å; Q1093-Y1178 PolarHBondContact NE2-OH 3.3Å; Q1093-Y1178 PolarHBondContact OE1-OH 3.17Å; Q1093-Y1178 VanDerWaalsContact OE1-OH 3.04Å
1094G71.7Confident80.3Confident1 Ų120.4 Ų20.41%0.0111%0.106CC..THydrogen-bonded Turntrans84.314.7177.700000115.7L1091 C1110L1091-G1094 PolarHBondContact O-N 3.07Å; G1094-C1110 VanDerWaalsContact O-CB 3.27Å; G1094-C1110 WeakPolarHBondContact O-CB 3.48Å; G1094-C1110 PolarHBondContact O-N 3Å; G1094-C1110 PolarHBondContact O-SG 2.89Å
1095L81.3Confident80.7Confident5 Ų518.3 Ų18.33%0.0269%0.093CC..EExtended strand (participates in β ladder)trans-93.8128.9179.2-44.7169.5000109.8F1090 L1091 I1107 W1108 L1116 F1187F1090-L1095 WeakPolarHBondContact CA-O 3.08Å; L1091-L1095 HydrophobicContact CB-CB 4.15Å; L1091-L1095 HydrophobicContact CB-CD1 4.49Å; L1091-L1095 HydrophobicContact CD1-CB 4.17Å; L1091-L1095 HydrophobicContact CD1-CD1 3.93Å; L1091-L1095 PolarHBondContact N-O 3.16Å; L1095-I1107 HydrophobicContact CB-CG2 4.48Å; L1095-W1108 WeakPolarHBondContact CA-O 3.32Å; L1095-L1116 HydrophobicContact CD2-CD1 3.81Å; L1095-F1187 HydrophobicContact CD1-CZ 4.4Å
1096L86.5Confident80.9Confident0 Ų018.1 Ų18.10%09%0.092CC..EExtended strand (participates in β ladder)trans-92.9121.4175.9177.969.6000109.7A1007 A1027 I1045 L1059 M1088 F1090 V1098 W1108 C1110A1007-L1096 HydrophobicContact CB-CD1 4.08Å; A1027-L1096 HydrophobicContact CB-CD1 3.82Å; A1027-L1096 HydrophobicContact CB-CD2 3.76Å; A1027-L1096 HydrophobicContact CB-CG 4.46Å; I1045-L1096 HydrophobicContact CD1-CD2 4.13Å; I1045-L1096 HydrophobicContact CG2-CD2 4.14Å; L1059-L1096 HydrophobicContact CD1-CD2 4.06Å; M1088-L1096 HydrophobicContact CB-CD1 4.22Å; M1088-L1096 HydrophobicContact SD-CD2 4.44Å; F1090-L1096 HydrophobicContact CD1-CB 4.38Å; F1090-L1096 HydrophobicContact CD1-CD1 4.4Å; F1090-L1096 HydrophobicContact CD2-CD1 3.96Å; F1090-L1096 HydrophobicContact CE1-CB 4.19Å; F1090-L1096 HydrophobicContact CE1-CD1 4.25Å; F1090-L1096 HydrophobicContact CE2-CD1 3.79Å; F1090-L1096 HydrophobicContact CG-CD1 4.28Å; F1090-L1096 HydrophobicContact CZ-CD1 3.96Å; L1096-V1098 HydrophobicContact CD2-CG2 3.98Å; L1096-V1098 HydrophobicContact CG-CG2 3.81Å; L1096-W1108 HydrophobicContact CB-CB 4.35Å; L1096-W1108 PolarHBondContact N-O 3.44Å; L1096-W1108 PolarHBondContact O-N 2.88Å; L1096-C1110 VanDerWaalsContact CB-SG 3.59Å
1097V87.8Confident81.3Confident0 Ų013.1 Ų13.10%07%0.073CC..EExtended strand (participates in β ladder)trans-103.2120.3178.7-172.60000108.6M1088 D1089 L1091 I1105 I1107 I1154M1088-V1097 CarbonylContact C-O 3.47Å; M1088-V1097 VanDerWaalsContact CA-O 3.29Å; M1088-V1097 WeakPolarHBondContact CA-O 3.43Å; D1089-V1097 PolarHBondContact N-O 2.88Å; D1089-V1097 PolarHBondContact O-N 3.43Å; L1091-V1097 HydrophobicContact CD1-CG2 3.65Å; L1091-V1097 HydrophobicContact CG-CG2 3.87Å; V1097-I1105 HydrophobicContact CG1-CG2 3.4Å; V1097-I1107 HydrophobicContact CG1-CG1 4.41Å; V1097-I1154 HydrophobicContact CG1-CD1 4.05Å
1098V87.9Confident81.5Confident0 Ų012.3 Ų12.30%07%0.067CC..EExtended strand (participates in β ladder)trans-119.5111.9-168.6-1780000110.7I1045 I1085 M1088 L1096 I1105 E1106I1045-V1098 HydrophobicContact CD1-CG1 4.3Å; I1045-V1098 HydrophobicContact CD1-CG2 3.83Å; I1085-V1098 HydrophobicContact CB-CG1 4.34Å; I1085-V1098 HydrophobicContact CD1-CG1 3.83Å; I1085-V1098 HydrophobicContact CG1-CG1 3.64Å; I1085-V1098 HydrophobicContact CG2-CG1 3.83Å; M1088-V1098 HydrophobicContact CG-CB 4.34Å; M1088-V1098 HydrophobicContact CG-CG1 4.03Å; M1088-V1098 HydrophobicContact CG-CG2 4.12Å; M1088-V1098 HydrophobicContact SD-CG1 4.37Å; M1088-V1098 HydrophobicContact SD-CG2 4.18Å; L1096-V1098 HydrophobicContact CD2-CG2 3.98Å; L1096-V1098 HydrophobicContact CG-CG2 3.81Å; V1098-I1105 CarbonylContact O-C 3.57Å; V1098-I1105 WeakPolarHBondContact O-CA 3.38Å; V1098-E1106 HydrophobicContact CB-CB 4.22Å; V1098-E1106 PolarHBondContact N-O 2.95Å; V1098-E1106 PolarHBondContact O-N 2.94Å
1099G85.7Confident81.4Confident0 Ų013 Ų130%07%0.071CC..EExtended strand (participates in β ladder)trans-87.5120.5177.900000112.5W1086 C1087W1086-G1099 PolarHBondContact N-O 2.85Å; C1087-G1099 PolarHBondContact N-O 2.65Å; C1087-G1099 PolarHBondContact O-N 2.75Å
1100C84.6Confident81.2Confident0 Ų010.9 Ų10.90%06%0.06CC..EExtended strand (participates in β ladder)trans-106.9154.3-173.9-65.30000114.2R1061 D1102 G1103 T1104 G1150 I1151R1061-C1100 PolarHBondContact NH2-SG 3.04Å; R1061-C1100 VanDerWaalsContact NH2-SG 3.41Å; C1100-D1102 WeakPolarHBondContact CB-OD1 3.4Å; C1100-D1102 PolarHBondContact O-N 3.17Å; C1100-D1102 VanDerWaalsContact O-N 3.08Å; C1100-G1103 PolarHBondContact O-N 3.08Å; C1100-G1103 VanDerWaalsContact O-N 3.08Å; C1100-T1104 WeakPolarHBondContact CB-O 3.35Å; C1100-T1104 PolarHBondContact N-O 2.96Å; C1100-G1150 VanDerWaalsContact O-CA 3.25Å; C1100-G1150 WeakPolarHBondContact O-CA 3.36Å; C1100-I1151 PolarHBondContact O-N 2.77Å
1101S80.4Confident81.1Confident13 Ų1315.8 Ų15.89%0.0918%0.083CC..THydrogen-bonded Turntrans-61.6-6.9178.452.90000116.5R1080 T1084 W1086R1080-S1101 PolarHBondContact NH1-O 2.96Å; R1080-S1101 VanDerWaalsContact NH1-O 3.12Å; T1084-S1101 PolarHBondContact N-OG 3.39Å; T1084-S1101 VanDerWaalsContact O-CB 3.31Å; T1084-S1101 WeakPolarHBondContact O-CB 3.4Å; T1084-S1101 PolarHBondContact O-N 3.5Å; T1084-S1101 PolarHBondContact O-OG 2.84Å; T1084-S1101 WeakPolarHBondContact OG1-CB 3.21Å; T1084-S1101 PolarHBondContact OG1-OG 2.96Å; W1086-S1101 VanDerWaalsContact CE2-CB 3.41Å
1102D75.5Confident81Confident41 Ų4118.5 Ų18.522%0.21910%0.102CC..THydrogen-bonded Turntrans-100.6-9.317751.419.6000113.2S1083 C1100 T1104S1083-D1102 WeakPolarHBondContact CB-OD2 3.49Å; S1083-D1102 PolarHBondContact OG-OD2 2.93Å; C1100-D1102 WeakPolarHBondContact CB-OD1 3.4Å; C1100-D1102 PolarHBondContact O-N 3.17Å; C1100-D1102 VanDerWaalsContact O-N 3.08Å; D1102-T1104 WeakPolarHBondContact OD1-CB 3.24Å; D1102-T1104 WeakPolarHBondContact OD1-CG2 3.32Å; D1102-T1104 PolarHBondContact OD1-N 2.79Å; D1102-T1104 PolarHBondContact OD1-OG1 3.11Å; D1102-T1104 PolarHBondContact OD2-OG1 2.84Å
1103G76.3Confident81.3Confident6 Ų618 Ų186%0.06210%0.102CC..SBendtrans91.612.7-174.900000114C1100 G1149 I1151C1100-G1103 PolarHBondContact O-N 3.08Å; C1100-G1103 VanDerWaalsContact O-N 3.08Å; G1103-G1149 WeakPolarHBondContact CA-O 3.35Å; G1103-I1151 VanDerWaalsContact C-CD1 3.49Å
1104T81.6Confident81.7Confident5 Ų519.2 Ų19.23%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-94.6143.317367.90000112L1073 A1077 C1100 D1102 I1118 L1119 I1151L1073-T1104 HydrophobicContact CD2-CG2 3.76Å; A1077-T1104 HydrophobicContact CB-CG2 4.3Å; C1100-T1104 WeakPolarHBondContact CB-O 3.35Å; C1100-T1104 PolarHBondContact N-O 2.96Å; D1102-T1104 WeakPolarHBondContact OD1-CB 3.24Å; D1102-T1104 WeakPolarHBondContact OD1-CG2 3.32Å; D1102-T1104 PolarHBondContact OD1-N 2.79Å; D1102-T1104 PolarHBondContact OD1-OG1 3.11Å; D1102-T1104 PolarHBondContact OD2-OG1 2.84Å; T1104-I1118 HydrophobicContact CG2-CG2 4.26Å; T1104-L1119 WeakPolarHBondContact CA-O 3.39Å; T1104-I1151 VanDerWaalsContact C-CD1 3.44Å; T1104-I1151 WeakPolarHBondContact O-CD1 3.19Å
1105I86.6Confident82.2Confident0 Ų019.4 Ų19.40%011%0.109CC..EExtended strand (participates in β ladder)trans-107.5114.4170.3-43.9171.2000106.9V1097 V1098 I1107 I1118 L1119 I1151 F1162 I1164 F1174V1097-I1105 HydrophobicContact CG1-CG2 3.4Å; V1098-I1105 CarbonylContact O-C 3.57Å; V1098-I1105 WeakPolarHBondContact O-CA 3.38Å; I1105-I1107 HydrophobicContact CG2-CG1 4.32Å; I1105-I1118 CarbonylContact O-C 3.35Å; I1105-I1118 VanDerWaalsContact O-CA 3.29Å; I1105-I1118 WeakPolarHBondContact O-CA 3.42Å; I1105-L1119 HydrophobicContact CB-CB 4.13Å; I1105-L1119 HydrophobicContact CD1-CB 4.14Å; I1105-L1119 HydrophobicContact CD1-CD1 4.29Å; I1105-L1119 HydrophobicContact CG1-CB 4.38Å; I1105-L1119 PolarHBondContact N-O 2.79Å; I1105-L1119 PolarHBondContact O-N 3.39Å; I1105-I1151 HydrophobicContact CG1-CD1 3.7Å; I1105-I1151 HydrophobicContact CG1-CG1 4.44Å; I1105-F1162 HydrophobicContact CD1-CE2 4.3Å; I1105-I1164 HydrophobicContact CD1-CD1 3.78Å; I1105-I1164 HydrophobicContact CD1-CG2 4.34Å; I1105-F1174 HydrophobicContact CD1-CE2 4.13Å; I1105-F1174 HydrophobicContact CD1-CZ 4.08Å
1106E87.3Confident82.2Confident0 Ų021.8 Ų21.80%012%0.121CC..EExtended strand (participates in β ladder)trans-92.3131.5172.8-50.8-179.1164.900109.3R1061 R1070 V1098 W1108 L1115 I1118R1061-E1106 IonicContact CZ-OE1 2.7Å; R1061-E1106 IonicContact CZ-OE2 3.87Å; R1061-E1106 IonicContact NE-OE1 2.75Å; R1061-E1106 PolarHBondContact NE-OE1 2.92Å; R1061-E1106 IonicContact NE-OE2 2.69Å; R1061-E1106 PolarHBondContact NE-OE2 3.28Å; R1061-E1106 VanDerWaalsContact NH2-CD 3.34Å; R1061-E1106 IonicContact NH2-OE1 3.57Å; R1061-E1106 PolarHBondContact NH2-OE1 2.89Å; R1061-E1106 IonicContact NH2-OE2 3.84Å; R1070-E1106 IonicContact CZ-OE1 3.73Å; R1070-E1106 IonicContact NE-OE1 3.35Å; R1070-E1106 PolarHBondContact NE-OE1 3.19Å; R1070-E1106 VanDerWaalsContact NH2-CD 3.32Å; R1070-E1106 IonicContact NH2-OE1 3.92Å; R1070-E1106 PolarHBondContact NH2-OE1 2.97Å; R1070-E1106 IonicContact NH2-OE2 2.72Å; R1070-E1106 PolarHBondContact NH2-OE2 3Å; V1098-E1106 HydrophobicContact CB-CB 4.22Å; V1098-E1106 PolarHBondContact N-O 2.95Å; V1098-E1106 PolarHBondContact O-N 2.94Å; E1106-W1108 VanDerWaalsContact CB-NE1 3.33Å; E1106-W1108 PolarHBondContact OE2-NE1 2.88Å; E1106-W1108 VanDerWaalsContact OE2-NE1 3.11Å; E1106-L1115 HydrophobicContact CB-CD1 3.93Å; E1106-I1118 HydrophobicContact CG-CG1 4.41Å
1107I87.5Confident81.8Confident0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-115.3118.3179.2-55.6-175000109.3L1095 V1097 I1105 L1116 D1117 L1119 F1187L1095-I1107 HydrophobicContact CB-CG2 4.48Å; V1097-I1107 HydrophobicContact CG1-CG1 4.41Å; I1105-I1107 HydrophobicContact CG2-CG1 4.32Å; I1107-L1116 WeakPolarHBondContact O-CB 3.29Å; I1107-L1116 PolarHBondContact O-N 2.87Å; I1107-D1117 PolarHBondContact N-O 3.1Å; I1107-D1117 PolarHBondContact O-N 3.28Å; I1107-L1119 HydrophobicContact CD1-CD1 3.8Å; I1107-L1119 HydrophobicContact CD1-CG 4.22Å; I1107-F1187 HydrophobicContact CD1-CD1 3.49Å; I1107-F1187 VanDerWaalsContact CD1-CD1 3.49Å; I1107-F1187 HydrophobicContact CD1-CD2 3.94Å; I1107-F1187 HydrophobicContact CD1-CE1 3.47Å; I1107-F1187 VanDerWaalsContact CD1-CE1 3.47Å; I1107-F1187 HydrophobicContact CD1-CE2 3.94Å; I1107-F1187 HydrophobicContact CD1-CG 3.76Å; I1107-F1187 HydrophobicContact CD1-CZ 3.73Å; I1107-F1187 HydrophobicContact CG2-CE1 4.34Å; I1107-F1187 HydrophobicContact CG2-CE2 4.23Å; I1107-F1187 HydrophobicContact CG2-CZ 3.79Å
1108W86.3Confident81.5Confident2 Ų225.5 Ų25.51%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-115.2136.6-171.5-65.586000111.3L1059 R1061 T1066 L1095 L1096 E1106 L1115L1059-W1108 HydrophobicContact CD1-CB 4.29Å; L1059-W1108 HydrophobicContact CD1-CD2 4.42Å; L1059-W1108 HydrophobicContact CD1-CE3 4.49Å; L1059-W1108 HydrophobicContact CD1-CG 4.37Å; L1059-W1108 HydrophobicContact CD2-CD2 4.36Å; L1059-W1108 HydrophobicContact CD2-CE3 3.64Å; L1059-W1108 HydrophobicContact CD2-CZ3 4.06Å; R1061-W1108 HydrophobicContact CB-CZ2 4.26Å; R1061-W1108 HydrophobicContact CG-CH2 4.44Å; R1061-W1108 HydrophobicContact CG-CZ2 3.83Å; T1066-W1108 HydrophobicContact CG2-CH2 3.58Å; T1066-W1108 HydrophobicContact CG2-CZ3 3.9Å; L1095-W1108 WeakPolarHBondContact CA-O 3.32Å; L1096-W1108 HydrophobicContact CB-CB 4.35Å; L1096-W1108 PolarHBondContact N-O 3.44Å; L1096-W1108 PolarHBondContact O-N 2.88Å; E1106-W1108 VanDerWaalsContact CB-NE1 3.33Å; E1106-W1108 PolarHBondContact OE2-NE1 2.88Å; E1106-W1108 VanDerWaalsContact OE2-NE1 3.11Å; W1108-L1115 HydrophobicContact CD2-CB 4.15Å; W1108-L1115 HydrophobicContact CD2-CD1 4.07Å; W1108-L1115 HydrophobicContact CE3-CB 3.83Å; W1108-L1115 HydrophobicContact CG-CD1 4.43Å; W1108-L1115 HydrophobicContact CH2-CB 3.97Å; W1108-L1115 HydrophobicContact CZ2-CB 4.24Å; W1108-L1115 HydrophobicContact CZ2-CD1 4.03Å; W1108-L1115 HydrophobicContact CZ3-CB 3.76Å
1109N83.4Confident81.1Confident34 Ų3426.3 Ų26.318%0.18215%0.145CC..EExtended strand (participates in β ladder)trans-85.5120.2169.8176.8-18.4000109.1E1111 S1112 G1113 H1114 L1116N1109-E1111 WeakPolarHBondContact OD1-CB 3.06Å; N1109-E1111 PolarHBondContact OD1-N 2.91Å; N1109-S1112 PolarHBondContact ND2-OG 2.89Å; N1109-S1112 PolarHBondContact OD1-N 2.97Å; N1109-G1113 WeakPolarHBondContact O-CA 3.47Å; N1109-G1113 PolarHBondContact O-N 2.91Å; N1109-H1114 PolarHBondContact N-O 2.97Å; N1109-L1116 HydrophobicContact CB-CD1 4.19Å; N1109-L1116 HydrophobicContact CB-CD2 4.05Å; N1109-L1116 HydrophobicContact CB-CG 4Å
1110C79.4Confident80.7Confident3 Ų328 Ų282%0.0216%0.156CC..THydrogen-bonded Turntrans-84.2-4.8-176.8-54.20000114.6L1047 F1057 G1094 L1096L1047-C1110 HydrophobicContact CD1-CB 4.06Å; F1057-C1110 WeakPolarHBondContact CE1-O 3.36Å; F1057-C1110 VanDerWaalsContact CZ-O 3.26Å; F1057-C1110 WeakPolarHBondContact CZ-O 3.31Å; G1094-C1110 VanDerWaalsContact O-CB 3.27Å; G1094-C1110 WeakPolarHBondContact O-CB 3.48Å; G1094-C1110 PolarHBondContact O-N 3Å; G1094-C1110 PolarHBondContact O-SG 2.89Å; L1096-C1110 VanDerWaalsContact CB-SG 3.59Å
1111E75.9Confident80.1Confident119 Ų11928.5 Ų28.556%0.55616%0.159SC*.THydrogen-bonded Turntrans-88.4-40.2171.6-58.6-177.1150.900111.6V1011 N1109V1011-E1111 HydrophobicContact CG1-CG 4.47Å; N1109-E1111 WeakPolarHBondContact OD1-CB 3.06Å; N1109-E1111 PolarHBondContact OD1-N 2.91Å
1112S75.3Confident79.1Confident59 Ų5932.2 Ų32.241%0.41318%0.178SC..THydrogen-bonded Turntrans-103-10.5-176.461.10000114.6N1109 H1114N1109-S1112 PolarHBondContact ND2-OG 2.89Å; N1109-S1112 PolarHBondContact OD1-N 2.97Å; S1112-H1114 PolarHBondContact O-N 3.04Å; S1112-H1114 VanDerWaalsContact O-N 3.07Å
1113G76.2Confident77.9Confident20 Ų2033.6 Ų33.621%0.20619%0.185CC..  trans70.1-4.7-177.900000115.3L1059 N1109L1059-G1113 VanDerWaalsContact CD2-O 3.3Å; L1059-G1113 WeakPolarHBondContact CD2-O 3.3Å; N1109-G1113 WeakPolarHBondContact O-CA 3.47Å; N1109-G1113 PolarHBondContact O-N 2.91Å
1114H79.7Confident76.3Confident95 Ų9539.3 Ų39.344%0.4421%0.213SC..  trans-79.4139.9177.9-64.4-67.9000112E1065 N1109 S1112 L1116E1065-H1114 IonicContact OE2-CE1 3.9Å; E1065-H1114 PolarHBondContact OE2-CE1 3.36Å; E1065-H1114 IonicContact OE2-ND1 2.67Å; E1065-H1114 PolarHBondContact OE2-ND1 2.87Å; E1065-H1114 VanDerWaalsContact OE2-ND1 3.11Å; N1109-H1114 PolarHBondContact N-O 2.97Å; S1112-H1114 PolarHBondContact O-N 3.04Å; S1112-H1114 VanDerWaalsContact O-N 3.07Å; H1114-L1116 PolarHBondContact O-N 2.88Å
1115L82.2Confident73.9Confident5 Ų545.7 Ų45.73%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-63.8120.616317473.3000109.3T1066 K1069 E1106 W1108 D1117 I1118T1066-L1115 HydrophobicContact CG2-CB 3.96Å; T1066-L1115 HydrophobicContact CG2-CD2 4.28Å; K1069-L1115 HydrophobicContact CB-CD2 3.94Å; K1069-L1115 HydrophobicContact CD-CD2 4.12Å; K1069-L1115 HydrophobicContact CD-CG 4.36Å; K1069-L1115 PolarHBondContact NZ-O 2.82Å; E1106-L1115 HydrophobicContact CB-CD1 3.93Å; W1108-L1115 HydrophobicContact CD2-CB 4.15Å; W1108-L1115 HydrophobicContact CD2-CD1 4.07Å; W1108-L1115 HydrophobicContact CE3-CB 3.83Å; W1108-L1115 HydrophobicContact CG-CD1 4.43Å; W1108-L1115 HydrophobicContact CH2-CB 3.97Å; W1108-L1115 HydrophobicContact CZ2-CB 4.24Å; W1108-L1115 HydrophobicContact CZ2-CD1 4.03Å; W1108-L1115 HydrophobicContact CZ3-CB 3.76Å; L1115-D1117 WeakPolarHBondContact CD1-O 3.45Å; L1115-I1118 HydrophobicContact CD1-CG1 3.94Å; L1115-I1118 HydrophobicContact CD2-CD1 3.74Å; L1115-I1118 HydrophobicContact CD2-CG1 3.87Å; L1115-I1118 HydrophobicContact CG-CG1 4.31Å
1116L80.2Confident71.1Confident56 Ų5653.3 Ų53.329%0.29329%0.288SS..EExtended strand (participates in β ladder)trans-77.1-60.1175.7-65-178.4000110.8K1069 L1095 I1107 N1109 H1114K1069-L1116 PolarHBondContact NZ-O 3.13Å; L1095-L1116 HydrophobicContact CD2-CD1 3.81Å; I1107-L1116 WeakPolarHBondContact O-CB 3.29Å; I1107-L1116 PolarHBondContact O-N 2.87Å; N1109-L1116 HydrophobicContact CB-CD1 4.19Å; N1109-L1116 HydrophobicContact CB-CD2 4.05Å; N1109-L1116 HydrophobicContact CB-CG 4Å; H1114-L1116 PolarHBondContact O-N 2.88Å
1117D78.2Confident68.3Low62 Ų6260.2 Ų60.233%0.33233%0.325SS..EExtended strand (participates in β ladder)trans-147.7161.4-171.3-160.32.4000111.6I1107 L1115 L1119 F1187I1107-D1117 PolarHBondContact N-O 3.1Å; I1107-D1117 PolarHBondContact O-N 3.28Å; L1115-D1117 WeakPolarHBondContact CD1-O 3.45Å; D1117-L1119 WeakPolarHBondContact OD2-CD2 3.47Å; D1117-F1187 HydrophobicContact CB-CD2 4.34Å
1118I80.5Confident65.5Low15 Ų1569.3 Ų69.38%0.07737%0.367CS..EExtended strand (participates in β ladder)trans-129.6107.7170.7-58176.7000109.6R1070 L1073 T1104 I1105 E1106 L1115R1070-I1118 HydrophobicContact CG-CD1 3.4Å; L1073-I1118 HydrophobicContact CD1-CB 3.93Å; L1073-I1118 HydrophobicContact CD1-CD1 4.42Å; L1073-I1118 HydrophobicContact CD1-CG2 3.96Å; L1073-I1118 HydrophobicContact CD2-CG2 3.84Å; T1104-I1118 HydrophobicContact CG2-CG2 4.26Å; I1105-I1118 CarbonylContact O-C 3.35Å; I1105-I1118 VanDerWaalsContact O-CA 3.29Å; I1105-I1118 WeakPolarHBondContact O-CA 3.42Å; E1106-I1118 HydrophobicContact CG-CG1 4.41Å; L1115-I1118 HydrophobicContact CD1-CG1 3.94Å; L1115-I1118 HydrophobicContact CD2-CD1 3.74Å; L1115-I1118 HydrophobicContact CD2-CG1 3.87Å; L1115-I1118 HydrophobicContact CG-CG1 4.31Å
1119L81.5Confident62.7Low18 Ų1876.3 Ų76.39%0.09440%0.404CS..EExtended strand (participates in β ladder)trans-84.9126.3178.7-47.1177.6000109.9T1104 I1105 I1107 D1117 F1162 F1174 F1187T1104-L1119 WeakPolarHBondContact CA-O 3.39Å; I1105-L1119 HydrophobicContact CB-CB 4.13Å; I1105-L1119 HydrophobicContact CD1-CB 4.14Å; I1105-L1119 HydrophobicContact CD1-CD1 4.29Å; I1105-L1119 HydrophobicContact CG1-CB 4.38Å; I1105-L1119 PolarHBondContact N-O 2.79Å; I1105-L1119 PolarHBondContact O-N 3.39Å; I1107-L1119 HydrophobicContact CD1-CD1 3.8Å; I1107-L1119 HydrophobicContact CD1-CG 4.22Å; D1117-L1119 WeakPolarHBondContact OD2-CD2 3.47Å; L1119-F1162 HydrophobicContact CD1-CZ 4.25Å; L1119-F1174 HydrophobicContact CB-CE1 4.49Å; L1119-F1174 HydrophobicContact CD1-CD1 3.9Å; L1119-F1174 HydrophobicContact CD1-CE1 3.91Å; L1119-F1187 HydrophobicContact CD1-CB 3.67Å; L1119-F1187 HydrophobicContact CD1-CG 4.2Å; L1119-F1187 HydrophobicContact CD2-CB 3.77Å; L1119-F1187 HydrophobicContact CG-CB 4.32Å
1120C75.8Confident59.9Low35 Ų3582.1 Ų82.124%0.23643%0.434CS..EExtended strand (participates in β ladder)trans-101.6133.3167.6-65.60000109.2N1122C1120-N1122 PolarHBondContact O-N 2.74Å
1121L71.6Confident57.4Low11 Ų1187.2 Ų87.26%0.05847%0.465CS..  trans-70.577.2162-80.6171.9000109.5P1148 I1164 T1166 A1172 F1174L1121-P1148 HydrophobicContact CB-CB 4.05Å; L1121-P1148 HydrophobicContact CB-CG 3.58Å; L1121-P1148 HydrophobicContact CD1-CB 3.87Å; L1121-P1148 HydrophobicContact CD1-CG 4.21Å; L1121-I1164 HydrophobicContact CD1-CD1 3.65Å; L1121-I1164 HydrophobicContact CD2-CD1 4.23Å; L1121-I1164 HydrophobicContact CG-CD1 4.04Å; L1121-T1166 HydrophobicContact CD1-CG2 3.51Å; L1121-A1172 HydrophobicContact CD2-CB 3.71Å; L1121-F1174 HydrophobicContact CD2-CE2 4.4Å; L1121-F1174 HydrophobicContact CD2-CZ 4.1Å
1122N61.3Low55Low90 Ų9090.5 Ų90.548%0.48148%0.477SS..  trans-67.7138169.9-72.9-22.1000109.2C1120 I1124C1120-N1122 PolarHBondContact O-N 2.74Å; N1122-I1124 PolarHBondContact O-N 2.89Å
1123N49.8Very low52.6Low71 Ų7196.4 Ų96.438%0.3850%0.495SS..  trans-68.488.9164.1-76-25.2000108.5N1125 I1146N1123-N1125 PolarHBondContact O-N 2.98Å; N1123-I1146 PolarHBondContact ND2-O 3.36Å
1124I42.1Very low50.3Low126 Ų126103 Ų10365%0.64652%0.521SS*.  trans-67.3100.8164.6-60177.1000105.7N1122 N1126 L1189N1122-I1124 PolarHBondContact O-N 2.89Å; I1124-N1126 PolarHBondContact O-N 2.85Å; I1124-L1189 HydrophobicContact CD1-CD2 4.16Å
1125N31.6Very low48Very low139 Ų139103.5 Ų103.574%0.74353%0.531SS*.  trans-56.1139.5166.1-76.5-10.1000108.5N1123 D1127N1123-N1125 PolarHBondContact O-N 2.98Å; N1125-D1127 PolarHBondContact O-N 2.85Å
1126N28.4Very low45.3Very low159 Ų159111.1 Ų111.185%0.8557%0.566SS**SBendtrans-60.6101171.7-66.3-25.2000109.8I1124I1124-N1126 PolarHBondContact O-N 2.85Å
1127D28.1Very low42.8Very low146 Ų146115 Ų11578%0.78159%0.587SS**  trans-167.890.3160.5-99.5-34.5000109.8N1125N1125-D1127 PolarHBondContact O-N 2.85Å
1128H28.5Very low40.3Very low190 Ų190117 Ų11788%0.8861%0.606SS**SBendtrans177.762.9145.4-93.6-57.9000111.9
1129L26.7Very low37.7Very low150 Ų150121.9 Ų121.979%0.78564%0.642SS**SBend168.4122.6124-108.587.7000111
1130L24.9Very low35Very low155 Ų155126.4 Ų126.481%0.81268%0.675SS**  trans65.9134.7158.9-46.7168000117.7
1131V26.5Very low32.8Very low110 Ų110130.2 Ų130.267%0.66770%0.697SS**  cis-158.7144.9-8.5128.80000108.8
1132K26.9Very low30.6Very low188 Ų188135 Ų13582%0.81773%0.732SS**  trans64.1126176.1-71.7164.1-179.6-177.40115.3
1133K24.2Very low29.3Very low183 Ų183139.1 Ų139.180%0.79675%0.748SS**  58.4128.565.6-65.4-171.3173.7-174.10111.7
1134E28.2Very low28.6Very low160 Ų160140.1 Ų140.175%0.74876%0.76SS**  cis-151.3146.745.4-130.2126.3-119.300115.7
1135T29.9Very low28.7Very low105 Ų105143.1 Ų143.164%0.64477%0.768SS**  trans34.8124.314853.30000124.2
1136Q27.6Very low29.8Very low165 Ų165141.5 Ų141.577%0.77176%0.758SS**  49.2124.5125.7-57.2178.5-2.800118.8
1137N26.7Very low31.5Very low137 Ų137138.9 Ų138.973%0.73374%0.744SS**  -168.7163.458.5-107-42000114.2
1138S25.9Very low33.4Very low105 Ų105132.6 Ų132.673%0.73471%0.712SS**  trans6.4117.8159.460.90000120.5
1139S25.9Very low35.7Very low117 Ų117124.1 Ų124.182%0.81868%0.676SS**  -168.4165114.956.30000112.4T1141S1139-T1141 PolarHBondContact O-N 2.94Å
1140S25.6Very low38.4Very low113 Ų113117.1 Ų117.179%0.7964%0.64SS**  trans-57.5115.3-176.749.70000116.2
1141T28.5Very low41.3Very low114 Ų114109.7 Ų109.770%0.69960%0.601SS**  trans-155.9141.6134.910.50000110.7S1139 H1143S1139-T1141 PolarHBondContact O-N 2.94Å; T1141-H1143 PolarHBondContact O-N 3.4Å
1142S25Very low44Very low113 Ų113106.6 Ų106.679%0.7958%0.582SS**  trans-72.798.2171.653.90000109.5S1144S1142-S1144 PolarHBondContact O-N 2.83Å
1143H33.8Very low46.8Very low176 Ų17699.2 Ų99.282%0.81555%0.551SS**  trans-66.281.2168.5-72.7-80.7000109.7T1141 K1145T1141-H1143 PolarHBondContact O-N 3.4Å; H1143-K1145 PolarHBondContact O-N 2.9Å
1144S35.8Very low49.8Very low91 Ų9191.1 Ų91.164%0.63652%0.517SS*.  trans-54.3126.8173.152.80000109S1142 I1146S1142-S1144 PolarHBondContact O-N 2.83Å; S1144-I1146 WeakPolarHBondContact O-CG1 3.41Å; S1144-I1146 PolarHBondContact O-N 3.32Å
1145K44.3Very low52.5Low190 Ų19087.7 Ų87.783%0.82650%0.497SS*.  trans-51.1105.6175.7-67.1177.8178.1179.80109H1143 N1147H1143-K1145 PolarHBondContact O-N 2.9Å; K1145-N1147 PolarHBondContact O-N 3.11Å
1146I53.9Low54.9Low104 Ų10483.8 Ų83.853%0.53347%0.472SS..  trans-73.198.4179.8-55.8-179.5000106.2N1123 S1144N1123-I1146 PolarHBondContact ND2-O 3.36Å; S1144-I1146 WeakPolarHBondContact O-CG1 3.41Å; S1144-I1146 PolarHBondContact O-N 3.32Å
1147N65.2Low57.3Low104 Ų10476.3 Ų76.356%0.55644%0.437SS*.  trans-64.6137.4165.7-69.2-21.3000107.3K1145 G1149 H1168K1145-N1147 PolarHBondContact O-N 3.11Å; N1147-G1149 PolarHBondContact O-N 3.03Å; N1147-H1168 PolarHBondContact O-CD2 3.07Å
1148P66.8Low59.5Low14 Ų1471 Ų719%0.09141%0.408CS..  trans-64.6-20.5176.427.3-35.9000112.4L1121 T1166 H1168 V1170L1121-P1148 HydrophobicContact CB-CB 4.05Å; L1121-P1148 HydrophobicContact CB-CG 3.58Å; L1121-P1148 HydrophobicContact CD1-CB 3.87Å; L1121-P1148 HydrophobicContact CD1-CG 4.21Å; P1148-T1166 HydrophobicContact CB-CG2 4.42Å; P1148-T1166 VanDerWaalsContact O-CB 3.31Å; P1148-T1166 WeakPolarHBondContact O-CB 3.42Å; P1148-T1166 PolarHBondContact O-OG1 2.94Å; P1148-H1168 WeakPolarHBondContact O-CB 3.18Å; P1148-H1168 PolarHBondContact O-N 3.45Å; P1148-V1170 HydrophobicContact CB-CG2 4.28Å
1149G77.5Confident61.6Low13 Ų1370.7 Ų70.713%0.13440%0.396CS..  trans80-177.9-177.800000111.8G1103 N1147G1103-G1149 WeakPolarHBondContact CA-O 3.35Å; N1147-G1149 PolarHBondContact O-N 3.03Å
1150G82.6Confident63.8Low2 Ų266.6 Ų66.62%0.02137%0.367CS..SBendtrans-64.2147.4174.900000112.1W1086 C1100 S1167W1086-G1150 VanDerWaalsContact CZ3-CA 3.4Å; C1100-G1150 VanDerWaalsContact O-CA 3.25Å; C1100-G1150 WeakPolarHBondContact O-CA 3.36Å; G1150-S1167 PolarHBondContact N-OG 3.23Å; G1150-S1167 PolarHBondContact O-N 3.31Å; G1150-S1167 PolarHBondContact O-OG 2.87Å
1151I86.5Confident66.4Low0 Ų062 Ų620%033%0.332CS..EExtended strand (participates in β ladder)trans-75.3124.8178.8-61.3121.2000108.9W1086 C1100 G1103 T1104 I1105 I1154 I1164 G1165 T1166W1086-I1151 WeakPolarHBondContact CB-O 3.4Å; C1100-I1151 PolarHBondContact O-N 2.77Å; G1103-I1151 VanDerWaalsContact C-CD1 3.49Å; T1104-I1151 VanDerWaalsContact C-CD1 3.44Å; T1104-I1151 WeakPolarHBondContact O-CD1 3.19Å; I1105-I1151 HydrophobicContact CG1-CD1 3.7Å; I1105-I1151 HydrophobicContact CG1-CG1 4.44Å; I1151-I1154 HydrophobicContact CG2-CG1 4.08Å; I1151-I1164 HydrophobicContact CG1-CD1 4.26Å; I1151-I1164 HydrophobicContact CG2-CB 4.16Å; I1151-I1164 HydrophobicContact CG2-CG2 4.44Å; I1151-G1165 CarbonylContact C-O 3.5Å; I1151-G1165 WeakPolarHBondContact CA-O 3.3Å; I1151-G1165 WeakPolarHBondContact CG2-O 3.4Å; I1151-T1166 HydrophobicContact CG1-CG2 4.45Å
1152T84.3Confident69.1Low44 Ų4456.5 Ų56.527%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-93.7-30.1-175.750.10000112.8W1086 G1165 A1199 I1200W1086-T1152 HydrophobicContact CE3-CG2 4.39Å; W1086-T1152 HydrophobicContact CZ3-CG2 4.48Å; T1152-G1165 PolarHBondContact N-O 2.94Å; T1152-G1165 PolarHBondContact OG1-O 3.25Å; T1152-A1199 HydrophobicContact CG2-CB 4.46Å; T1152-I1200 PolarHBondContact OG1-O 2.67Å
1153I85.1Confident72.1Confident34 Ų3451.2 Ų51.217%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-153.3144.5-176.1-174.5168.5000110.2I1164 G1165 I1200 L1203I1153-I1164 WeakPolarHBondContact O-CA 3.39Å; I1153-G1165 PolarHBondContact N-O 3.49Å; I1153-G1165 PolarHBondContact O-N 2.78Å; I1153-I1200 HydrophobicContact CG2-CG2 4.24Å; I1153-L1203 HydrophobicContact CG2-CD1 3.75Å
1154I86.4Confident74.7Confident13 Ų1342.9 Ų42.97%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-119.6144.5170.1-64.7159.2000106.6D1089 V1097 I1151 F1162 I1164D1089-I1154 HydrophobicContact CB-CB 4.34Å; D1089-I1154 HydrophobicContact CB-CG2 3.97Å; V1097-I1154 HydrophobicContact CG1-CD1 4.05Å; I1151-I1154 HydrophobicContact CG2-CG1 4.08Å; I1154-F1162 HydrophobicContact CG2-CD2 4.45Å; I1154-I1164 HydrophobicContact CB-CG2 4.46Å; I1154-I1164 HydrophobicContact CG1-CG2 3.87Å; I1154-I1164 HydrophobicContact CG2-CG2 4.5Å
1155R85Confident77.1Confident87 Ų8738.5 Ų38.533%0.32819%0.192SC..EExtended strand (participates in β ladder)trans-141109179-109.7-64.7-147-175.19.3109.7F1162 F1163 L1203 D1204R1155-F1162 CarbonylContact O-C 3.56Å; R1155-F1162 WeakPolarHBondContact O-CA 3.38Å; R1155-F1163 HydrophobicContact CB-CB 4.46Å; R1155-F1163 PolarHBondContact N-O 3.09Å; R1155-F1163 PolarHBondContact O-N 2.99Å; R1155-L1203 HydrophobicContact CG-CB 4.34Å; R1155-L1203 WeakPolarHBondContact CG-O 3.38Å; R1155-L1203 PolarHBondContact NE-O 2.97Å; R1155-D1204 IonicContact CZ-OD1 3.16Å; R1155-D1204 IonicContact NE-OD1 2.79Å; R1155-D1204 IonicContact NH2-OD1 2.73Å; R1155-D1204 PolarHBondContact NH2-OD1 2.89Å
1156I81.7Confident79.2Confident23 Ų2329.5 Ų29.512%0.11815%0.153CC..EExtended strand (participates in β ladder)trans-80.5145.6177.1-63.2169.7000110.5D1089 F1090 L1091 D1158 F1162 Y1205D1089-I1156 HydrophobicContact CB-CD1 3.88Å; D1089-I1156 HydrophobicContact CB-CG1 4.46Å; D1089-I1156 VanDerWaalsContact CG-CD1 3.42Å; D1089-I1156 WeakPolarHBondContact OD2-CD1 3.43Å; D1089-I1156 WeakPolarHBondContact OD2-CG1 3.44Å; F1090-I1156 WeakPolarHBondContact O-CD1 3.29Å; L1091-I1156 HydrophobicContact CD2-CD1 3.91Å; L1091-I1156 HydrophobicContact CD2-CG1 4.07Å; L1091-I1156 HydrophobicContact CD2-CG2 3.92Å; L1091-I1156 HydrophobicContact CG-CD1 4.03Å; I1156-D1158 WeakPolarHBondContact CG2-O 3.36Å; I1156-F1162 HydrophobicContact CG1-CB 4.03Å; I1156-Y1205 WeakPolarHBondContact O-CE1 3.29Å
1157I77.7Confident80.8Confident9 Ų925.9 Ų25.95%0.04614%0.137CC..  trans-114.6-40.8-173.1-51.7164.6000111.5R1161 F1163 Y1173 Y1205 K1207I1157-R1161 HydrophobicContact CB-CB 4.17Å; I1157-R1161 WeakPolarHBondContact CB-O 3.41Å; I1157-R1161 HydrophobicContact CD1-CB 3.84Å; I1157-R1161 PolarHBondContact N-O 3.21Å; I1157-F1163 HydrophobicContact CD1-CD1 4.31Å; I1157-F1163 HydrophobicContact CD1-CD2 3.43Å; I1157-F1163 VanDerWaalsContact CD1-CD2 3.43Å; I1157-F1163 HydrophobicContact CD1-CE1 4.04Å; I1157-F1163 HydrophobicContact CD1-CE2 3.1Å; I1157-F1163 HydrophobicContact CD1-CG 4.04Å; I1157-F1163 HydrophobicContact CD1-CZ 3.44Å; I1157-F1163 VanDerWaalsContact CD1-CZ 3.44Å; I1157-F1163 HydrophobicContact CG1-CD2 3.69Å; I1157-F1163 HydrophobicContact CG1-CE2 3.6Å; I1157-F1163 HydrophobicContact CG1-CZ 4.42Å; I1157-Y1173 HydrophobicContact CD1-CD2 4.28Å; I1157-Y1173 HydrophobicContact CD1-CE2 3.84Å; I1157-Y1205 HydrophobicContact CB-CE1 4.39Å; I1157-Y1205 HydrophobicContact CG1-CD1 4.25Å; I1157-Y1205 HydrophobicContact CG1-CE1 4.18Å; I1157-Y1205 HydrophobicContact CG2-CD2 4.29Å; I1157-Y1205 HydrophobicContact CG2-CE1 4.48Å; I1157-Y1205 HydrophobicContact CG2-CE2 3.99Å; I1157-K1207 VanDerWaalsContact CG2-CE 3.44Å; I1157-K1207 WeakPolarHBondContact O-CE 3.29Å; I1157-K1207 PolarHBondContact O-NZ 2.91Å
1158D71.4Confident81.7Confident24 Ų2426.2 Ų26.213%0.12814%0.135CC..SBendtrans-163-173.717655.850.1000109.1I1156 S1160 R1161I1156-D1158 WeakPolarHBondContact CG2-O 3.36Å; D1158-S1160 PolarHBondContact O-N 3.19Å; D1158-S1160 WeakPolarHBondContact OD1-CA 3.41Å; D1158-S1160 PolarHBondContact OD1-N 2.88Å; D1158-S1160 PolarHBondContact OD1-OG 2.88Å; D1158-R1161 PolarHBondContact O-N 2.79Å; D1158-R1161 PolarHBondContact OD1-N 3.01Å; D1158-R1161 IonicContact OD1-NE 3.32Å; D1158-R1161 IonicContact OD2-CZ 2.9Å; D1158-R1161 IonicContact OD2-NE 3.51Å; D1158-R1161 PolarHBondContact OD2-NE 2.87Å; D1158-R1161 IonicContact OD2-NH2 3.58Å; D1158-R1161 PolarHBondContact OD2-NH2 2.95Å
1159E71.1Confident82.4Confident100 Ų10025.6 Ų25.647%0.46713%0.131SC..SBendtrans-56.7-19.8179.5-54.7-170.2-162.400115P1092 Q1093 Y1178P1092-E1159 HydrophobicContact CB-CG 4.09Å; P1092-E1159 HydrophobicContact CG-CG 4.2Å; Q1093-E1159 PolarHBondContact NE2-OE2 3.37Å; Q1093-E1159 VanDerWaalsContact NE2-OE2 3.11Å; E1159-Y1178 PolarHBondContact O-OH 2.99Å
1160S71.8Confident82.9Confident30 Ų3025 Ų2521%0.2113%0.125CC..SBendtrans-115.7-17.6-172.660.50000113.7D1158 N1175 V1176D1158-S1160 PolarHBondContact O-N 3.19Å; D1158-S1160 WeakPolarHBondContact OD1-CA 3.41Å; D1158-S1160 PolarHBondContact OD1-N 2.88Å; D1158-S1160 PolarHBondContact OD1-OG 2.88Å; S1160-N1175 CarbonylContact O-C 3.6Å; S1160-N1175 VanDerWaalsContact O-CA 3.24Å; S1160-N1175 WeakPolarHBondContact O-CA 3.43Å; S1160-N1175 PolarHBondContact O-OD1 3.11Å; S1160-V1176 WeakPolarHBondContact O-CG2 3.5Å; S1160-V1176 PolarHBondContact O-N 3.49Å
1161R79.5Confident83Confident16 Ų1625 Ų256%0.0612%0.124CC..EExtended strand (participates in β ladder)trans-131.9139.5-167.7-62.1-179.9-75.9-170.7-9.9113.8I1157 D1158 Y1173 F1174 N1175 I1229I1157-R1161 HydrophobicContact CB-CB 4.17Å; I1157-R1161 WeakPolarHBondContact CB-O 3.41Å; I1157-R1161 HydrophobicContact CD1-CB 3.84Å; I1157-R1161 PolarHBondContact N-O 3.21Å; D1158-R1161 PolarHBondContact O-N 2.79Å; D1158-R1161 PolarHBondContact OD1-N 3.01Å; D1158-R1161 IonicContact OD1-NE 3.32Å; D1158-R1161 IonicContact OD2-CZ 2.9Å; D1158-R1161 IonicContact OD2-NE 3.51Å; D1158-R1161 PolarHBondContact OD2-NE 2.87Å; D1158-R1161 IonicContact OD2-NH2 3.58Å; D1158-R1161 PolarHBondContact OD2-NH2 2.95Å; R1161-Y1173 HydrophobicContact CB-CE2 4.18Å; R1161-Y1173 WeakPolarHBondContact CD-OH 3.48Å; R1161-Y1173 HydrophobicContact CG-CE2 4.41Å; R1161-F1174 WeakPolarHBondContact CA-O 3.35Å; R1161-N1175 HydrophobicContact CG-CB 4.3Å; R1161-I1229 PolarHBondContact NH1-O 3.34Å
1162F85.7Confident83Confident0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-145.8153.7174.666-90.8000112.9L1091 I1105 L1119 I1154 R1155 I1156 I1164 F1174 F1187L1091-F1162 HydrophobicContact CD2-CD1 4.48Å; I1105-F1162 HydrophobicContact CD1-CE2 4.3Å; L1119-F1162 HydrophobicContact CD1-CZ 4.25Å; I1154-F1162 HydrophobicContact CG2-CD2 4.45Å; R1155-F1162 CarbonylContact O-C 3.56Å; R1155-F1162 WeakPolarHBondContact O-CA 3.38Å; I1156-F1162 HydrophobicContact CG1-CB 4.03Å; F1162-I1164 HydrophobicContact CD2-CG2 3.95Å; F1162-I1164 HydrophobicContact CE2-CG2 4.02Å; F1162-F1174 HydrophobicContact CD1-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CD2 4.29Å; F1162-F1174 HydrophobicContact CD2-CG 4.48Å; F1162-F1174 HydrophobicContact CE1-CB 3.69Å; F1162-F1174 HydrophobicContact CE1-CG 4.47Å; F1162-F1174 HydrophobicContact CE2-CB 3.68Å; F1162-F1174 AromaticContact CE2-CD2 3.73Å; F1162-F1174 HydrophobicContact CE2-CD2 3.73Å; F1162-F1174 AromaticContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CG-CB 4.27Å; F1162-F1174 HydrophobicContact CZ-CB 3.47Å; F1162-F1174 VanDerWaalsContact CZ-CB 3.47Å; F1162-F1174 HydrophobicContact CZ-CD1 4.34Å; F1162-F1174 HydrophobicContact CZ-CD2 4.21Å; F1162-F1174 AromaticContact CZ-CG 3.77Å; F1162-F1174 HydrophobicContact CZ-CG 3.77Å; F1162-F1174 PolarHBondContact N-O 3.21Å; F1162-F1174 VanDerWaalsContact N-O 3.11Å; F1162-F1174 PolarHBondContact O-N 2.95Å; F1162-F1187 HydrophobicContact CE1-CD1 4.17Å
1163F88Confident83.1Confident2 Ų223.3 Ų23.31%0.00911%0.113CC..EExtended strand (participates in β ladder)trans-108.6155.5171.3-60.2-65000110.8R1155 I1157 A1172 Y1173 Y1205 V1231 L1233R1155-F1163 HydrophobicContact CB-CB 4.46Å; R1155-F1163 PolarHBondContact N-O 3.09Å; R1155-F1163 PolarHBondContact O-N 2.99Å; I1157-F1163 HydrophobicContact CD1-CD1 4.31Å; I1157-F1163 HydrophobicContact CD1-CD2 3.43Å; I1157-F1163 VanDerWaalsContact CD1-CD2 3.43Å; I1157-F1163 HydrophobicContact CD1-CE1 4.04Å; I1157-F1163 HydrophobicContact CD1-CE2 3.1Å; I1157-F1163 HydrophobicContact CD1-CG 4.04Å; I1157-F1163 HydrophobicContact CD1-CZ 3.44Å; I1157-F1163 VanDerWaalsContact CD1-CZ 3.44Å; I1157-F1163 HydrophobicContact CG1-CD2 3.69Å; I1157-F1163 HydrophobicContact CG1-CE2 3.6Å; I1157-F1163 HydrophobicContact CG1-CZ 4.42Å; F1163-A1172 CarbonylContact C-O 3.52Å; F1163-A1172 VanDerWaalsContact CA-O 3.31Å; F1163-A1172 WeakPolarHBondContact CA-O 3.24Å; F1163-Y1173 AromaticContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CE2 4.41Å; F1163-Y1173 AromaticContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CE1-CD1 4.17Å; F1163-Y1173 AromaticContact CE1-CD2 3.19Å; F1163-Y1173 HydrophobicContact CE1-CD2 3.19Å; F1163-Y1173 AromaticContact CE1-CE2 3.74Å; F1163-Y1173 HydrophobicContact CE1-CE2 3.74Å; F1163-Y1173 AromaticContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CE1-CG 3.45Å; F1163-Y1173 VanDerWaalsContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CZ-CD2 4.01Å; F1163-Y1173 HydrophobicContact CZ-CE2 4.11Å; F1163-Y1205 HydrophobicContact CD2-CD1 4.49Å; F1163-Y1205 HydrophobicContact CE2-CD1 4.38Å; F1163-Y1205 HydrophobicContact CE2-CG 4.33Å; F1163-V1231 HydrophobicContact CE2-CG1 3.89Å; F1163-V1231 HydrophobicContact CZ-CB 4.38Å; F1163-V1231 HydrophobicContact CZ-CG1 3.77Å; F1163-L1233 HydrophobicContact CB-CD1 4.37Å; F1163-L1233 HydrophobicContact CD1-CD1 4.09Å; F1163-L1233 HydrophobicContact CD1-CD2 3.55Å; F1163-L1233 HydrophobicContact CD1-CG 4.38Å; F1163-L1233 HydrophobicContact CD2-CD1 3.39Å; F1163-L1233 HydrophobicContact CD2-CD2 4.43Å; F1163-L1233 HydrophobicContact CD2-CG 4.45Å; F1163-L1233 HydrophobicContact CE1-CB 4.4Å; F1163-L1233 HydrophobicContact CE1-CD1 4.17Å; F1163-L1233 HydrophobicContact CE1-CD2 3.59Å; F1163-L1233 HydrophobicContact CE1-CG 4.27Å; F1163-L1233 HydrophobicContact CE2-CB 4.41Å; F1163-L1233 HydrophobicContact CE2-CD1 3.48Å; F1163-L1233 VanDerWaalsContact CE2-CD1 3.48Å; F1163-L1233 HydrophobicContact CE2-CD2 4.44Å; F1163-L1233 HydrophobicContact CE2-CG 4.32Å; F1163-L1233 HydrophobicContact CG-CD1 3.71Å; F1163-L1233 HydrophobicContact CG-CD2 4Å; F1163-L1233 HydrophobicContact CG-CG 4.47Å; F1163-L1233 HydrophobicContact CZ-CB 4.09Å; F1163-L1233 HydrophobicContact CZ-CD1 3.88Å; F1163-L1233 HydrophobicContact CZ-CD2 4.05Å; F1163-L1233 HydrophobicContact CZ-CG 4.23Å
1164I88.9Confident83.1Confident0 Ų022 Ų220%011%0.106CC..EExtended strand (participates in β ladder)trans-133.115117065.3170.9000112I1105 L1121 I1151 I1153 I1154 F1162 V1171 A1172 F1174I1105-I1164 HydrophobicContact CD1-CD1 3.78Å; I1105-I1164 HydrophobicContact CD1-CG2 4.34Å; L1121-I1164 HydrophobicContact CD1-CD1 3.65Å; L1121-I1164 HydrophobicContact CD2-CD1 4.23Å; L1121-I1164 HydrophobicContact CG-CD1 4.04Å; I1151-I1164 HydrophobicContact CG1-CD1 4.26Å; I1151-I1164 HydrophobicContact CG2-CB 4.16Å; I1151-I1164 HydrophobicContact CG2-CG2 4.44Å; I1153-I1164 WeakPolarHBondContact O-CA 3.39Å; I1154-I1164 HydrophobicContact CB-CG2 4.46Å; I1154-I1164 HydrophobicContact CG1-CG2 3.87Å; I1154-I1164 HydrophobicContact CG2-CG2 4.5Å; F1162-I1164 HydrophobicContact CD2-CG2 3.95Å; F1162-I1164 HydrophobicContact CE2-CG2 4.02Å; I1164-V1171 WeakPolarHBondContact O-CA 3.46Å; I1164-A1172 HydrophobicContact CD1-CB 4.21Å; I1164-A1172 HydrophobicContact CG1-CB 3.81Å; I1164-A1172 PolarHBondContact N-O 2.84Å; I1164-A1172 PolarHBondContact O-N 3.21Å; I1164-A1172 VanDerWaalsContact O-N 3.08Å; I1164-F1174 HydrophobicContact CD1-CE2 3.7Å; I1164-F1174 HydrophobicContact CD1-CZ 4.4Å; I1164-F1174 HydrophobicContact CG1-CE2 3.99Å
1165G86.7Confident82.8Confident0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-115.9152.816800000111.2I1151 T1152 I1153I1151-G1165 CarbonylContact C-O 3.5Å; I1151-G1165 WeakPolarHBondContact CA-O 3.3Å; I1151-G1165 WeakPolarHBondContact CG2-O 3.4Å; T1152-G1165 PolarHBondContact N-O 2.94Å; T1152-G1165 PolarHBondContact OG1-O 3.25Å; I1153-G1165 PolarHBondContact N-O 3.49Å; I1153-G1165 PolarHBondContact O-N 2.78Å
1166T88.5Confident82.4Confident0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-130.8161.2-174.861.20000112.9L1121 P1148 I1151 H1168 G1169 V1170 A1199 I1200L1121-T1166 HydrophobicContact CD1-CG2 3.51Å; P1148-T1166 HydrophobicContact CB-CG2 4.42Å; P1148-T1166 VanDerWaalsContact O-CB 3.31Å; P1148-T1166 WeakPolarHBondContact O-CB 3.42Å; P1148-T1166 PolarHBondContact O-OG1 2.94Å; I1151-T1166 HydrophobicContact CG1-CG2 4.45Å; T1166-H1168 VanDerWaalsContact C-N 3.28Å; T1166-H1168 PolarHBondContact O-N 3.38Å; T1166-G1169 PolarHBondContact O-N 3.49Å; T1166-V1170 PolarHBondContact N-O 3.38Å; T1166-V1170 WeakPolarHBondContact OG1-CA 3.4Å; T1166-V1170 VanDerWaalsContact OG1-CB 3.31Å; T1166-V1170 WeakPolarHBondContact OG1-CB 3.33Å; T1166-V1170 PolarHBondContact OG1-N 2.88Å; T1166-V1170 PolarHBondContact OG1-O 2.78Å; T1166-A1199 WeakPolarHBondContact O-CA 3.38Å; T1166-I1200 PolarHBondContact O-N 3.09Å
1167S86.2Confident81.7Confident28 Ų2820.7 Ų20.720%0.19611%0.108CC..THydrogen-bonded Turntrans-68.1-18.2179.743.50000114.9G1150 A1199G1150-S1167 PolarHBondContact N-OG 3.23Å; G1150-S1167 PolarHBondContact O-N 3.31Å; G1150-S1167 PolarHBondContact O-OG 2.87Å; S1167-A1199 WeakPolarHBondContact O-CA 3.48Å; S1167-A1199 PolarHBondContact O-N 2.94Å
1168H84.4Confident81Confident111 Ų11124.5 Ų24.551%0.51412%0.123SC..THydrogen-bonded Turntrans-105.425.4170.1-66.7-61.6000114N1147 P1148 T1166 V1170N1147-H1168 PolarHBondContact O-CD2 3.07Å; P1148-H1168 WeakPolarHBondContact O-CB 3.18Å; P1148-H1168 PolarHBondContact O-N 3.45Å; T1166-H1168 VanDerWaalsContact C-N 3.28Å; T1166-H1168 PolarHBondContact O-N 3.38Å; H1168-V1170 VanDerWaalsContact C-N 3.34Å; H1168-V1170 PolarHBondContact O-N 2.94Å
1169G82.7Confident80.4Confident1 Ų126.3 Ų26.31%0.0114%0.135CC..SBendtrans77.913.9166.500000115.9T1166 H1196 R1198 I1200T1166-G1169 PolarHBondContact O-N 3.49Å; G1169-H1196 PolarHBondContact O-N 2.76Å; G1169-R1198 WeakPolarHBondContact CA-O 3.49Å; G1169-R1198 PolarHBondContact N-O 2.75Å; G1169-I1200 VanDerWaalsContact C-CD1 3.43Å
1170V86.2Confident79.3Confident2 Ų232 Ų321%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-87.6124.4174.2-167.90000109.9P1148 T1166 H1168 Q1192 I1200P1148-V1170 HydrophobicContact CB-CG2 4.28Å; T1166-V1170 PolarHBondContact N-O 3.38Å; T1166-V1170 WeakPolarHBondContact OG1-CA 3.4Å; T1166-V1170 VanDerWaalsContact OG1-CB 3.31Å; T1166-V1170 WeakPolarHBondContact OG1-CB 3.33Å; T1166-V1170 PolarHBondContact OG1-N 2.88Å; T1166-V1170 PolarHBondContact OG1-O 2.78Å; H1168-V1170 VanDerWaalsContact C-N 3.34Å; H1168-V1170 PolarHBondContact O-N 2.94Å; V1170-Q1192 HydrophobicContact CG1-CG 3.45Å; V1170-Q1192 VanDerWaalsContact CG1-CG 3.45Å; V1170-I1200 WeakPolarHBondContact O-CD1 3.32Å
1171V86.5Confident78.4Confident0 Ų034.4 Ų34.40%019%0.187CC..EExtended strand (participates in β ladder)trans-98.3137.1169.1-176.40000108.3I1164 Q1192 W1193 I1200 L1203 L1233 F1245I1164-V1171 WeakPolarHBondContact O-CA 3.46Å; V1171-Q1192 CarbonylContact O-C 3.59Å; V1171-Q1192 WeakPolarHBondContact O-CA 3.5Å; V1171-W1193 HydrophobicContact CB-CB 4.48Å; V1171-W1193 HydrophobicContact CB-CE3 4.27Å; V1171-W1193 HydrophobicContact CG1-CE3 4.05Å; V1171-W1193 HydrophobicContact CG1-CZ3 4.45Å; V1171-W1193 PolarHBondContact N-O 3.18Å; V1171-W1193 VanDerWaalsContact N-O 3.11Å; V1171-W1193 PolarHBondContact O-N 3.5Å; V1171-I1200 HydrophobicContact CB-CD1 4.4Å; V1171-I1200 HydrophobicContact CG2-CD1 3.47Å; V1171-I1200 VanDerWaalsContact CG2-CD1 3.47Å; V1171-I1200 HydrophobicContact CG2-CG1 4.17Å; V1171-L1203 HydrophobicContact CG1-CD2 3.92Å; V1171-L1233 HydrophobicContact CG1-CD2 3.55Å; V1171-F1245 HydrophobicContact CB-CE2 4.48Å; V1171-F1245 HydrophobicContact CG2-CE2 4.16Å
1172A85.8Confident76.7Confident0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-138.4152.1177.100000112.8L1121 F1163 I1164 F1174 L1189 Q1192L1121-A1172 HydrophobicContact CD2-CB 3.71Å; F1163-A1172 CarbonylContact C-O 3.52Å; F1163-A1172 VanDerWaalsContact CA-O 3.31Å; F1163-A1172 WeakPolarHBondContact CA-O 3.24Å; I1164-A1172 HydrophobicContact CD1-CB 4.21Å; I1164-A1172 HydrophobicContact CG1-CB 3.81Å; I1164-A1172 PolarHBondContact N-O 2.84Å; I1164-A1172 PolarHBondContact O-N 3.21Å; I1164-A1172 VanDerWaalsContact O-N 3.08Å; A1172-F1174 HydrophobicContact CB-CE2 3.83Å; A1172-L1189 HydrophobicContact CB-CD1 3.87Å; A1172-Q1192 HydrophobicContact CB-CB 4.46Å; A1172-Q1192 HydrophobicContact CB-CG 4.4Å
1173Y85.8Confident74.8Confident9 Ų947.8 Ų47.84%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-126.2121.8-171.8174.5-149.2000110.5I1157 R1161 F1163 I1190 R1191 W1193I1157-Y1173 HydrophobicContact CD1-CD2 4.28Å; I1157-Y1173 HydrophobicContact CD1-CE2 3.84Å; R1161-Y1173 HydrophobicContact CB-CE2 4.18Å; R1161-Y1173 WeakPolarHBondContact CD-OH 3.48Å; R1161-Y1173 HydrophobicContact CG-CE2 4.41Å; F1163-Y1173 AromaticContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CD2 3.54Å; F1163-Y1173 HydrophobicContact CD1-CE2 4.41Å; F1163-Y1173 AromaticContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CD1-CG 3.85Å; F1163-Y1173 HydrophobicContact CE1-CD1 4.17Å; F1163-Y1173 AromaticContact CE1-CD2 3.19Å; F1163-Y1173 HydrophobicContact CE1-CD2 3.19Å; F1163-Y1173 AromaticContact CE1-CE2 3.74Å; F1163-Y1173 HydrophobicContact CE1-CE2 3.74Å; F1163-Y1173 AromaticContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CE1-CG 3.45Å; F1163-Y1173 VanDerWaalsContact CE1-CG 3.45Å; F1163-Y1173 HydrophobicContact CZ-CD2 4.01Å; F1163-Y1173 HydrophobicContact CZ-CE2 4.11Å; Y1173-I1190 HydrophobicContact CD1-CB 3.64Å; Y1173-I1190 HydrophobicContact CD1-CD1 4.31Å; Y1173-I1190 HydrophobicContact CD1-CG2 3.54Å; Y1173-I1190 HydrophobicContact CE1-CB 3.99Å; Y1173-I1190 HydrophobicContact CE1-CD1 3.84Å; Y1173-I1190 HydrophobicContact CE1-CG2 3.65Å; Y1173-I1190 HydrophobicContact CG-CB 4.2Å; Y1173-I1190 PolarHBondContact O-N 3.34Å; Y1173-R1191 PolarHBondContact N-O 2.92Å; Y1173-W1193 HydrophobicContact CD1-CH2 4.42Å
1174F85.5Confident73.1Confident8 Ų853.5 Ų53.54%0.03529%0.289CS..EExtended strand (participates in β ladder)trans-118.2151.2-175.7-69.6-97.3000112I1105 L1119 L1121 R1161 F1162 I1164 A1172 R1188 L1189I1105-F1174 HydrophobicContact CD1-CE2 4.13Å; I1105-F1174 HydrophobicContact CD1-CZ 4.08Å; L1119-F1174 HydrophobicContact CB-CE1 4.49Å; L1119-F1174 HydrophobicContact CD1-CD1 3.9Å; L1119-F1174 HydrophobicContact CD1-CE1 3.91Å; L1121-F1174 HydrophobicContact CD2-CE2 4.4Å; L1121-F1174 HydrophobicContact CD2-CZ 4.1Å; R1161-F1174 WeakPolarHBondContact CA-O 3.35Å; F1162-F1174 HydrophobicContact CD1-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CB 4.08Å; F1162-F1174 HydrophobicContact CD2-CD2 4.29Å; F1162-F1174 HydrophobicContact CD2-CG 4.48Å; F1162-F1174 HydrophobicContact CE1-CB 3.69Å; F1162-F1174 HydrophobicContact CE1-CG 4.47Å; F1162-F1174 HydrophobicContact CE2-CB 3.68Å; F1162-F1174 AromaticContact CE2-CD2 3.73Å; F1162-F1174 HydrophobicContact CE2-CD2 3.73Å; F1162-F1174 AromaticContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CE2-CG 3.77Å; F1162-F1174 HydrophobicContact CG-CB 4.27Å; F1162-F1174 HydrophobicContact CZ-CB 3.47Å; F1162-F1174 VanDerWaalsContact CZ-CB 3.47Å; F1162-F1174 HydrophobicContact CZ-CD1 4.34Å; F1162-F1174 HydrophobicContact CZ-CD2 4.21Å; F1162-F1174 AromaticContact CZ-CG 3.77Å; F1162-F1174 HydrophobicContact CZ-CG 3.77Å; F1162-F1174 PolarHBondContact N-O 3.21Å; F1162-F1174 VanDerWaalsContact N-O 3.11Å; F1162-F1174 PolarHBondContact O-N 2.95Å; I1164-F1174 HydrophobicContact CD1-CE2 3.7Å; I1164-F1174 HydrophobicContact CD1-CZ 4.4Å; I1164-F1174 HydrophobicContact CG1-CE2 3.99Å; A1172-F1174 HydrophobicContact CB-CE2 3.83Å; F1174-R1188 WeakPolarHBondContact CA-O 3.48Å; F1174-L1189 HydrophobicContact CD1-CB 4.26Å; F1174-L1189 HydrophobicContact CD1-CD1 4.43Å; F1174-L1189 HydrophobicContact CD2-CD1 4.28Å; F1174-L1189 HydrophobicContact CE1-CB 3.98Å; F1174-L1189 HydrophobicContact CE1-CD1 4.02Å; F1174-L1189 HydrophobicContact CE2-CD1 3.83Å; F1174-L1189 HydrophobicContact CZ-CB 4.48Å; F1174-L1189 HydrophobicContact CZ-CD1 3.69Å
1175N80.7Confident71.7Confident34 Ų3455.6 Ų55.618%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-133.4135.7174.5-175.619.5000111S1160 R1161 R1188 I1190S1160-N1175 CarbonylContact O-C 3.6Å; S1160-N1175 VanDerWaalsContact O-CA 3.24Å; S1160-N1175 WeakPolarHBondContact O-CA 3.43Å; S1160-N1175 PolarHBondContact O-OD1 3.11Å; R1161-N1175 HydrophobicContact CG-CB 4.3Å; N1175-R1188 PolarHBondContact N-O 3.44Å; N1175-R1188 PolarHBondContact O-N 2.95Å; N1175-I1190 HydrophobicContact CB-CD1 3.51Å; N1175-I1190 HydrophobicContact CB-CG1 3.99Å
1176V75.5Confident70.5Confident2 Ų258.6 Ų58.61%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-91.4107.5177-165.30000108.1L1091 S1160 Y1178 Q1185 F1187L1091-V1176 HydrophobicContact CD1-CG2 4.41Å; S1160-V1176 WeakPolarHBondContact O-CG2 3.5Å; S1160-V1176 PolarHBondContact O-N 3.49Å; V1176-Y1178 HydrophobicContact CB-CE2 3.99Å; V1176-Y1178 HydrophobicContact CG1-CE1 3.95Å; V1176-Y1178 HydrophobicContact CG1-CE2 4Å; V1176-Y1178 WeakPolarHBondContact O-CD2 3.21Å; V1176-Y1178 WeakPolarHBondContact O-CE2 3.42Å; V1176-Q1185 HydrophobicContact CG1-CB 3.99Å; V1176-Q1185 HydrophobicContact CG1-CG 4.42Å; V1176-F1187 HydrophobicContact CB-CD1 4.3Å; V1176-F1187 HydrophobicContact CB-CE1 4.13Å; V1176-F1187 HydrophobicContact CG1-CD1 4.11Å; V1176-F1187 HydrophobicContact CG1-CE1 3.69Å; V1176-F1187 HydrophobicContact CG1-CZ 3.94Å; V1176-F1187 HydrophobicContact CG2-CD1 3.63Å; V1176-F1187 HydrophobicContact CG2-CE1 3.39Å; V1176-F1187 HydrophobicContact CG2-CZ 4.4Å
1177V67.6Low69.7Low59 Ų5959.8 Ų59.836%0.35832%0.322SS..EExtended strand (participates in β ladder)trans-93.6110.8178.5-179.40000108.9T1179 T1186V1177-T1179 PolarHBondContact O-N 2.64Å; V1177-T1186 PolarHBondContact N-O 3.43Å; V1177-T1186 PolarHBondContact O-N 2.88Å; V1177-T1186 VanDerWaalsContact O-N 3.09Å; V1177-T1186 PolarHBondContact O-OG1 3.37Å
1178Y62.9Low69Low88 Ų8866.9 Ų66.935%0.34535%0.345SS..EExtended strand (participates in β ladder)trans-82.4106.1175.9-58-83.8000110.1Q1093 E1159 V1176 K1180 Q1185Q1093-Y1178 VanDerWaalsContact CD-OH 3.31Å; Q1093-Y1178 PolarHBondContact NE2-OH 3.3Å; Q1093-Y1178 PolarHBondContact OE1-OH 3.17Å; Q1093-Y1178 VanDerWaalsContact OE1-OH 3.04Å; E1159-Y1178 PolarHBondContact O-OH 2.99Å; V1176-Y1178 HydrophobicContact CB-CE2 3.99Å; V1176-Y1178 HydrophobicContact CG1-CE1 3.95Å; V1176-Y1178 HydrophobicContact CG1-CE2 4Å; V1176-Y1178 WeakPolarHBondContact O-CD2 3.21Å; V1176-Y1178 WeakPolarHBondContact O-CE2 3.42Å; Y1178-K1180 PolarHBondContact O-N 3.22Å; Y1178-Q1185 HydrophobicContact CD1-CG 3.95Å; Y1178-Q1185 HydrophobicContact CE1-CG 3.75Å
1179T59Low68.6Low63 Ų6363.8 Ų63.839%0.38733%0.332SS..  trans-77109175.752.50000110.6V1177 G1181 N1182 L1184V1177-T1179 PolarHBondContact O-N 2.64Å; T1179-G1181 PolarHBondContact O-N 2.69Å; T1179-G1181 VanDerWaalsContact O-N 3.09Å; T1179-N1182 PolarHBondContact O-N 2.98Å; T1179-N1182 VanDerWaalsContact O-O 3.1Å; T1179-L1184 PolarHBondContact OG1-O 3.25Å
1180K48.1Very low68.3Low220 Ų22067.1 Ų67.196%0.95735%0.349SS*.THydrogen-bonded Turntrans-50.1119.3170.8-90.1-172.5173.5-178.50110.1Y1178Y1178-K1180 PolarHBondContact O-N 3.22Å
1181G53.3Low67.9Low80 Ų8069.8 Ų69.883%0.82536%0.359SS*.THydrogen-bonded Turntrans117.6-21.5176.500000115.1T1179T1179-G1181 PolarHBondContact O-N 2.69Å; T1179-G1181 VanDerWaalsContact O-N 3.09Å
1182N42.2Very low67.6Low116 Ų11671.6 Ų71.662%0.6237%0.367SS*.SBendtrans-134.8143174.8-85.3-42.8000110.9T1179 L1184T1179-N1182 PolarHBondContact O-N 2.98Å; T1179-N1182 VanDerWaalsContact O-O 3.1Å; N1182-L1184 HydrophobicContact CB-CB 4.4Å; N1182-L1184 PolarHBondContact O-N 2.73Å; N1182-L1184 VanDerWaalsContact O-N 3.07Å
1183L47.1Very low67.4Low181 Ų18172.1 Ų72.195%0.94837%0.369SS*.SBendtrans-705173-80.3161.1000113.8Q1185L1183-Q1185 PolarHBondContact O-N 2.77Å
1184L51.3Low67.2Low122 Ų12277.3 Ų77.364%0.63939%0.394SS*.  trans-78.6105.5176.8-71.5168.4000110.2T1179 N1182T1179-L1184 PolarHBondContact OG1-O 3.25Å; N1182-L1184 HydrophobicContact CB-CB 4.4Å; N1182-L1184 PolarHBondContact O-N 2.73Å; N1182-L1184 VanDerWaalsContact O-N 3.07Å
1185Q59.6Low66.6Low43 Ų4378.1 Ų78.120%0.20140%0.4CS..EExtended strand (participates in β ladder)trans-74.6132.2171.5-64.8160.4-15.800109.2V1176 Y1178 L1183 F1187V1176-Q1185 HydrophobicContact CG1-CB 3.99Å; V1176-Q1185 HydrophobicContact CG1-CG 4.42Å; Y1178-Q1185 HydrophobicContact CD1-CG 3.95Å; Y1178-Q1185 HydrophobicContact CE1-CG 3.75Å; L1183-Q1185 PolarHBondContact O-N 2.77Å; Q1185-F1187 HydrophobicContact CB-CE2 3.95Å; Q1185-F1187 HydrophobicContact CB-CZ 4.15Å
1186T62Low66.7Low64 Ų6477.2 Ų77.239%0.39340%0.395SS..EExtended strand (participates in β ladder)trans-113.8119.7179.258.30000110.7V1177V1177-T1186 PolarHBondContact N-O 3.43Å; V1177-T1186 PolarHBondContact O-N 2.88Å; V1177-T1186 VanDerWaalsContact O-N 3.09Å; V1177-T1186 PolarHBondContact O-OG1 3.37Å
1187F70.5Confident67Low24 Ų2481.7 Ų81.711%0.10543%0.426CS..EExtended strand (participates in β ladder)trans-94.8118.8-175-62.5-92.3000110.4L1091 L1095 I1107 D1117 L1119 F1162 V1176 Q1185L1091-F1187 HydrophobicContact CD1-CE1 4.3Å; L1095-F1187 HydrophobicContact CD1-CZ 4.4Å; I1107-F1187 HydrophobicContact CD1-CD1 3.49Å; I1107-F1187 VanDerWaalsContact CD1-CD1 3.49Å; I1107-F1187 HydrophobicContact CD1-CD2 3.94Å; I1107-F1187 HydrophobicContact CD1-CE1 3.47Å; I1107-F1187 VanDerWaalsContact CD1-CE1 3.47Å; I1107-F1187 HydrophobicContact CD1-CE2 3.94Å; I1107-F1187 HydrophobicContact CD1-CG 3.76Å; I1107-F1187 HydrophobicContact CD1-CZ 3.73Å; I1107-F1187 HydrophobicContact CG2-CE1 4.34Å; I1107-F1187 HydrophobicContact CG2-CE2 4.23Å; I1107-F1187 HydrophobicContact CG2-CZ 3.79Å; D1117-F1187 HydrophobicContact CB-CD2 4.34Å; L1119-F1187 HydrophobicContact CD1-CB 3.67Å; L1119-F1187 HydrophobicContact CD1-CG 4.2Å; L1119-F1187 HydrophobicContact CD2-CB 3.77Å; L1119-F1187 HydrophobicContact CG-CB 4.32Å; F1162-F1187 HydrophobicContact CE1-CD1 4.17Å; V1176-F1187 HydrophobicContact CB-CD1 4.3Å; V1176-F1187 HydrophobicContact CB-CE1 4.13Å; V1176-F1187 HydrophobicContact CG1-CD1 4.11Å; V1176-F1187 HydrophobicContact CG1-CE1 3.69Å; V1176-F1187 HydrophobicContact CG1-CZ 3.94Å; V1176-F1187 HydrophobicContact CG2-CD1 3.63Å; V1176-F1187 HydrophobicContact CG2-CE1 3.39Å; V1176-F1187 HydrophobicContact CG2-CZ 4.4Å; Q1185-F1187 HydrophobicContact CB-CE2 3.95Å; Q1185-F1187 HydrophobicContact CB-CZ 4.15Å
1188R72.4Confident67.8Low177 Ų17785 Ų8567%0.66843%0.432SS*.EExtended strand (participates in β ladder)trans-117.5125-175.8-177.3172.6178.4175.81.2111.3F1174 N1175 I1190F1174-R1188 WeakPolarHBondContact CA-O 3.48Å; N1175-R1188 PolarHBondContact N-O 3.44Å; N1175-R1188 PolarHBondContact O-N 2.95Å; R1188-I1190 PolarHBondContact O-N 3.41Å
1189L76.3Confident68.9Low46 Ų4681.4 Ų81.424%0.24142%0.421CS..EExtended strand (participates in β ladder)trans-64.5126.3164.6-178.570.6000109.5I1124 A1172 F1174 R1191 Q1192I1124-L1189 HydrophobicContact CD1-CD2 4.16Å; A1172-L1189 HydrophobicContact CB-CD1 3.87Å; F1174-L1189 HydrophobicContact CD1-CB 4.26Å; F1174-L1189 HydrophobicContact CD1-CD1 4.43Å; F1174-L1189 HydrophobicContact CD2-CD1 4.28Å; F1174-L1189 HydrophobicContact CE1-CB 3.98Å; F1174-L1189 HydrophobicContact CE1-CD1 4.02Å; F1174-L1189 HydrophobicContact CE2-CD1 3.83Å; F1174-L1189 HydrophobicContact CZ-CB 4.48Å; F1174-L1189 HydrophobicContact CZ-CD1 3.69Å; L1189-R1191 WeakPolarHBondContact CD1-O 3.29Å; L1189-Q1192 HydrophobicContact CD2-CB 4.41Å
1190I75.7Confident70.2Confident71 Ų7178.5 Ų78.536%0.36440%0.403SS..EExtended strand (participates in β ladder)trans-91.9-53.7174.5-69.8-177.5000110.8Y1173 N1175 R1188Y1173-I1190 HydrophobicContact CD1-CB 3.64Å; Y1173-I1190 HydrophobicContact CD1-CD1 4.31Å; Y1173-I1190 HydrophobicContact CD1-CG2 3.54Å; Y1173-I1190 HydrophobicContact CE1-CB 3.99Å; Y1173-I1190 HydrophobicContact CE1-CD1 3.84Å; Y1173-I1190 HydrophobicContact CE1-CG2 3.65Å; Y1173-I1190 HydrophobicContact CG-CB 4.2Å; Y1173-I1190 PolarHBondContact O-N 3.34Å; N1175-I1190 HydrophobicContact CB-CD1 3.51Å; N1175-I1190 HydrophobicContact CB-CG1 3.99Å; R1188-I1190 PolarHBondContact O-N 3.41Å
1191R78Confident71.8Confident58 Ų5869.8 Ų69.822%0.21937%0.369CS..EExtended strand (participates in β ladder)trans-147.3156.8180-75.6-174.8-144.8-98.49111.5Y1173 L1189 W1193 S1247 E1248 D1250Y1173-R1191 PolarHBondContact N-O 2.92Å; L1189-R1191 WeakPolarHBondContact CD1-O 3.29Å; R1191-W1193 HydrophobicContact CB-CH2 3.94Å; R1191-W1193 HydrophobicContact CB-CZ2 3.91Å; R1191-W1193 HydrophobicContact CB-CZ3 4.28Å; R1191-W1193 HydrophobicContact CG-CZ2 4.46Å; R1191-S1247 VanDerWaalsContact CZ-O 3.3Å; R1191-S1247 PolarHBondContact NE-O 3Å; R1191-S1247 PolarHBondContact NH2-O 3.13Å; R1191-E1248 PolarHBondContact NH2-O 2.7Å; R1191-D1250 WeakPolarHBondContact CD-OD1 3.37Å; R1191-D1250 IonicContact CZ-OD1 2.67Å; R1191-D1250 IonicContact NE-OD1 3.67Å; R1191-D1250 IonicContact NH1-OD1 3.2Å; R1191-D1250 PolarHBondContact NH1-OD1 2.74Å; R1191-D1250 IonicContact NH1-OD2 3.27Å; R1191-D1250 PolarHBondContact NH1-OD2 2.87Å
1192Q80.3Confident73.2Confident38 Ų3868 Ų6818%0.17834%0.34CS..EExtended strand (participates in β ladder)trans-141.8121179.1179.4171.8-30.400110V1170 V1171 A1172 L1189 H1194V1170-Q1192 HydrophobicContact CG1-CG 3.45Å; V1170-Q1192 VanDerWaalsContact CG1-CG 3.45Å; V1171-Q1192 CarbonylContact O-C 3.59Å; V1171-Q1192 WeakPolarHBondContact O-CA 3.5Å; A1172-Q1192 HydrophobicContact CB-CB 4.46Å; A1172-Q1192 HydrophobicContact CB-CG 4.4Å; L1189-Q1192 HydrophobicContact CD2-CB 4.41Å; Q1192-H1194 PolarHBondContact NE2-CE1 2.73Å; Q1192-H1194 PolarHBondContact NE2-NE2 2.89Å
1193W82.4Confident75.3Confident12 Ų1262.7 Ų62.75%0.04531%0.311CS..EExtended strand (participates in β ladder)trans-110.7106.9-175.7-60.7-85.5000111.3V1171 Y1173 R1191 S1195 L1233 F1245 C1249 D1250V1171-W1193 HydrophobicContact CB-CB 4.48Å; V1171-W1193 HydrophobicContact CB-CE3 4.27Å; V1171-W1193 HydrophobicContact CG1-CE3 4.05Å; V1171-W1193 HydrophobicContact CG1-CZ3 4.45Å; V1171-W1193 PolarHBondContact N-O 3.18Å; V1171-W1193 VanDerWaalsContact N-O 3.11Å; V1171-W1193 PolarHBondContact O-N 3.5Å; Y1173-W1193 HydrophobicContact CD1-CH2 4.42Å; R1191-W1193 HydrophobicContact CB-CH2 3.94Å; R1191-W1193 HydrophobicContact CB-CZ2 3.91Å; R1191-W1193 HydrophobicContact CB-CZ3 4.28Å; R1191-W1193 HydrophobicContact CG-CZ2 4.46Å; W1193-S1195 VanDerWaalsContact C-N 3.28Å; W1193-S1195 PolarHBondContact O-N 3.29Å; W1193-L1233 HydrophobicContact CE3-CD2 4.35Å; W1193-L1233 HydrophobicContact CH2-CD2 4.34Å; W1193-L1233 HydrophobicContact CZ3-CD2 3.77Å; W1193-F1245 HydrophobicContact CB-CD1 4.21Å; W1193-F1245 HydrophobicContact CB-CE1 3.83Å; W1193-F1245 HydrophobicContact CB-CE2 4.45Å; W1193-F1245 HydrophobicContact CB-CZ 3.99Å; W1193-F1245 AromaticContact CD1-CD1 3.45Å; W1193-F1245 VanDerWaalsContact CD1-CD1 3.45Å; W1193-F1245 AromaticContact CD1-CE1 3.81Å; W1193-F1245 HydrophobicContact CD2-CB 4.22Å; W1193-F1245 AromaticContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD2 4.25Å; W1193-F1245 HydrophobicContact CD2-CE1 4.49Å; W1193-F1245 AromaticContact CD2-CG 3.89Å; W1193-F1245 HydrophobicContact CD2-CG 3.89Å; W1193-F1245 AromaticContact CE2-CD1 3.98Å; W1193-F1245 AromaticContact CE2-CG 3.86Å; W1193-F1245 HydrophobicContact CE3-CD2 4.4Å; W1193-F1245 HydrophobicContact CE3-CG 4.42Å; W1193-F1245 AromaticContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD2 4.46Å; W1193-F1245 AromaticContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CG 4.03Å; W1193-F1245 HydrophobicContact CG-CZ 4.29Å; W1193-F1245 HydrophobicContact CH2-CB 4.26Å; W1193-F1245 HydrophobicContact CZ2-CB 3.74Å; W1193-F1245 HydrophobicContact CZ2-CG 4.33Å; W1193-F1245 AromaticContact NE1-CD1 3.65Å; W1193-F1245 AromaticContact NE1-CG 3.99Å; W1193-C1249 PolarHBondContact NE1-O 3.07Å; W1193-D1250 PolarHBondContact NE1-O 3.22Å
1194H81Confident77Confident118 Ų11854.7 Ų54.755%0.54627%0.269SS..EExtended strand (participates in β ladder)trans-81.170.3174.6-61.895.8000110.6Q1192Q1192-H1194 PolarHBondContact NE2-CE1 2.73Å; Q1192-H1194 PolarHBondContact NE2-NE2 2.89Å
1195S72.6Confident78.6Confident25 Ų2551.6 Ų51.618%0.17525%0.25CC..  trans-111.9-32.6-160.362.70000115.2W1193 K1243 F1245W1193-S1195 VanDerWaalsContact C-N 3.28Å; W1193-S1195 PolarHBondContact O-N 3.29Å; S1195-K1243 PolarHBondContact O-NZ 2.82Å; S1195-F1245 WeakPolarHBondContact OG-CZ 3.46Å
1196H83.4Confident79.4Confident14 Ų1450.1 Ų50.17%0.06524%0.243CC..  trans-103.8154.2-176-65.5-74.2000111.8G1169 S1235 S1237 D1239G1169-H1196 PolarHBondContact O-N 2.76Å; H1196-S1235 WeakPolarHBondContact NE2-CB 3.4Å; H1196-S1235 PolarHBondContact NE2-OG 3.02Å; H1196-S1237 WeakPolarHBondContact ND1-CB 3.48Å; H1196-D1239 IonicContact ND1-OD1 3.31Å
1197S81.9Confident80Confident96 Ų9649.4 Ų49.467%0.67123%0.234SC*.SBendtrans-93.1-9.3-177.565.80000113.9D1239S1197-D1239 WeakPolarHBondContact CB-OD2 3.45Å; S1197-D1239 PolarHBondContact N-OD2 3.06Å; S1197-D1239 WeakPolarHBondContact OG-CB 3.49Å; S1197-D1239 PolarHBondContact OG-OD2 2.83Å
1198R84.7Confident79.9Confident130 Ų13048.9 Ų48.949%0.49123%0.232SC..SBendtrans-140.5176.6178.4-64.5-179.6175.5166.6-2.3110.9G1169 S1237 E1238 D1239G1169-R1198 WeakPolarHBondContact CA-O 3.49Å; G1169-R1198 PolarHBondContact N-O 2.75Å; R1198-S1237 PolarHBondContact O-OG 2.77Å; R1198-E1238 HydrophobicContact CB-CB 3.84Å; R1198-E1238 WeakPolarHBondContact CD-O 3.37Å; R1198-E1238 PolarHBondContact NH1-O 3.35Å; R1198-D1239 HydrophobicContact CB-CB 4.29Å; R1198-D1239 HydrophobicContact CG-CB 4.1Å
1199A84.7Confident79.4Confident12 Ų1242.2 Ų42.210%0.09921%0.208CC..  trans-48.9140.8178.300000112.7T1152 T1166 S1167 S1201 S1237 E1238T1152-A1199 HydrophobicContact CG2-CB 4.46Å; T1166-A1199 WeakPolarHBondContact O-CA 3.38Å; S1167-A1199 WeakPolarHBondContact O-CA 3.48Å; S1167-A1199 PolarHBondContact O-N 2.94Å; A1199-S1201 PolarHBondContact O-N 3.39Å; A1199-S1237 WeakPolarHBondContact O-CA 3.46Å; A1199-S1237 PolarHBondContact O-OG 2.91Å; A1199-E1238 HydrophobicContact CB-CG 4.26Å; A1199-E1238 PolarHBondContact O-N 2.77Å
1200I86.2Confident78.4Confident1 Ų141.7 Ų41.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-80.8116.7170.2-69.3140.4000107.8T1152 I1153 T1166 G1169 V1170 V1171 L1203 G1236T1152-I1200 PolarHBondContact OG1-O 2.67Å; I1153-I1200 HydrophobicContact CG2-CG2 4.24Å; T1166-I1200 PolarHBondContact O-N 3.09Å; G1169-I1200 VanDerWaalsContact C-CD1 3.43Å; V1170-I1200 WeakPolarHBondContact O-CD1 3.32Å; V1171-I1200 HydrophobicContact CB-CD1 4.4Å; V1171-I1200 HydrophobicContact CG2-CD1 3.47Å; V1171-I1200 VanDerWaalsContact CG2-CD1 3.47Å; V1171-I1200 HydrophobicContact CG2-CG1 4.17Å; I1200-L1203 HydrophobicContact CG2-CD1 3.72Å; I1200-L1203 HydrophobicContact CG2-CG 3.89Å; I1200-G1236 WeakPolarHBondContact CA-O 3.34Å
1201S82.4Confident77.1Confident37 Ų3744 Ų4426%0.25921%0.213SC..EExtended strand (participates in β ladder)trans-89-29.217956.20000112.2A1199 G1236 V1263A1199-S1201 PolarHBondContact O-N 3.39Å; S1201-G1236 PolarHBondContact N-O 3.32Å; S1201-G1236 PolarHBondContact OG-O 3.44Å; S1201-V1263 WeakPolarHBondContact CB-O 3.07Å; S1201-V1263 PolarHBondContact OG-O 3.4Å
1202Q83.6Confident75.7Confident44 Ų4445.8 Ų45.821%0.20623%0.227CC..EExtended strand (participates in β ladder)trans-146.1143.8-172.5-66.4-65.6-10.500112.4G1236 L1264 M1266Q1202-G1236 PolarHBondContact N-O 3.49Å; Q1202-G1236 PolarHBondContact O-N 2.92Å; Q1202-L1264 PolarHBondContact NE2-O 2.92Å; Q1202-M1266 HydrophobicContact CB-CE 3.87Å; Q1202-M1266 HydrophobicContact CB-CG 4.12Å
1203L85.1Confident74.1Confident4 Ų447.4 Ų47.42%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-143.4132.1177.8-96.1156.5000110.4I1153 R1155 V1171 I1200 L1233 I1234I1153-L1203 HydrophobicContact CG2-CD1 3.75Å; R1155-L1203 HydrophobicContact CG-CB 4.34Å; R1155-L1203 WeakPolarHBondContact CG-O 3.38Å; R1155-L1203 PolarHBondContact NE-O 2.97Å; V1171-L1203 HydrophobicContact CG1-CD2 3.92Å; I1200-L1203 HydrophobicContact CG2-CD1 3.72Å; I1200-L1203 HydrophobicContact CG2-CG 3.89Å; L1203-L1233 HydrophobicContact CD2-CD1 3.49Å; L1203-L1233 VanDerWaalsContact CD2-CD1 3.49Å; L1203-L1233 HydrophobicContact CD2-CD2 4.17Å; L1203-L1233 HydrophobicContact CD2-CG 3.94Å; L1203-I1234 WeakPolarHBondContact CA-O 3.39Å
1204D84.1Confident72.3Confident12 Ų1249.5 Ų49.56%0.06425%0.253CS..EExtended strand (participates in β ladder)trans-147.2161.9-178.5-148.38.5000111.4R1155 L1233 I1234 M1266 L1268R1155-D1204 IonicContact CZ-OD1 3.16Å; R1155-D1204 IonicContact NE-OD1 2.79Å; R1155-D1204 IonicContact NH2-OD1 2.73Å; R1155-D1204 PolarHBondContact NH2-OD1 2.89Å; D1204-L1233 WeakPolarHBondContact O-CD1 3.22Å; D1204-I1234 PolarHBondContact N-O 3.26Å; D1204-I1234 PolarHBondContact O-N 3.17Å; D1204-M1266 HydrophobicContact CB-CG 4.26Å; D1204-M1266 HydrophobicContact CB-SD 4.09Å; D1204-L1268 PolarHBondContact OD2-N 3.34Å
1205Y84.3Confident70.5Confident58 Ų5851.9 Ų51.923%0.22727%0.27CS..EExtended strand (participates in β ladder)trans-146.4159.4-174.969.7-97.7000115.3I1156 I1157 F1163 K1207 V1231 L1232I1156-Y1205 WeakPolarHBondContact O-CE1 3.29Å; I1157-Y1205 HydrophobicContact CB-CE1 4.39Å; I1157-Y1205 HydrophobicContact CG1-CD1 4.25Å; I1157-Y1205 HydrophobicContact CG1-CE1 4.18Å; I1157-Y1205 HydrophobicContact CG2-CD2 4.29Å; I1157-Y1205 HydrophobicContact CG2-CE1 4.48Å; I1157-Y1205 HydrophobicContact CG2-CE2 3.99Å; F1163-Y1205 HydrophobicContact CD2-CD1 4.49Å; F1163-Y1205 HydrophobicContact CE2-CD1 4.38Å; F1163-Y1205 HydrophobicContact CE2-CG 4.33Å; Y1205-K1207 HydrophobicContact CD2-CG 4.45Å; Y1205-K1207 HydrophobicContact CE2-CG 4.34Å; Y1205-V1231 HydrophobicContact CD2-CG1 4.22Å; Y1205-V1231 HydrophobicContact CG-CG1 4.27Å; Y1205-L1232 CarbonylContact C-O 3.19Å; Y1205-L1232 VanDerWaalsContact CA-O 3.27Å; Y1205-L1232 WeakPolarHBondContact CA-O 3.48Å
1206L76Confident69Low12 Ų1254.7 Ų54.76%0.06328%0.283CS..EExtended strand (participates in β ladder)trans-125136.2167.6-170.381.5000110.3V1231 L1232 L1268 L1502L1206-V1231 CarbonylContact O-C 3.52Å; L1206-V1231 WeakPolarHBondContact O-CA 3.32Å; L1206-L1232 HydrophobicContact CB-CB 4.3Å; L1206-L1232 PolarHBondContact N-O 3.37Å; L1206-L1232 PolarHBondContact O-N 3.17Å; L1206-L1268 HydrophobicContact CB-CD2 3.79Å; L1206-L1502 HydrophobicContact CD2-CB 4.43Å; L1206-L1502 HydrophobicContact CD2-CD1 4.02Å
1207K73.8Confident67.3Low48 Ų4858.7 Ų58.721%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-87.9129.5167.2-68.3175.5-179.7178.70108.9I1157 Y1205 I1229 V1231I1157-K1207 VanDerWaalsContact CG2-CE 3.44Å; I1157-K1207 WeakPolarHBondContact O-CE 3.29Å; I1157-K1207 PolarHBondContact O-NZ 2.91Å; Y1205-K1207 HydrophobicContact CD2-CG 4.45Å; Y1205-K1207 HydrophobicContact CE2-CG 4.34Å; K1207-I1229 HydrophobicContact CB-CG2 3.77Å; K1207-I1229 HydrophobicContact CD-CG2 4.1Å; K1207-I1229 HydrophobicContact CG-CG2 3.88Å; K1207-V1231 HydrophobicContact CG-CG2 4.47Å
1208Y69.2Low65.5Low13 Ų1360.1 Ų60.15%0.05131%0.31CS..EExtended strand (participates in β ladder)trans-126.5155.8173.268.1-87.5000111S1230 L1232 S1246 E1248 L1310Y1208-S1230 VanDerWaalsContact CE2-OG 3.24Å; Y1208-S1230 WeakPolarHBondContact CE2-OG 3.42Å; Y1208-S1230 PolarHBondContact N-O 3.33Å; Y1208-S1230 PolarHBondContact O-N 3.28Å; Y1208-L1232 HydrophobicContact CD1-CB 4.18Å; Y1208-L1232 HydrophobicContact CE1-CB 4.14Å; Y1208-S1246 PolarHBondContact OH-OG 2.89Å; Y1208-E1248 PolarHBondContact OH-OE2 3.14Å; Y1208-L1310 HydrophobicContact CE2-CD1 3.66Å
1209F61.9Low63.6Low37 Ų3758.5 Ų58.516%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-105.8116.3178.1-118-71.4000110.1K1211 I1224 H1228 I1229F1209-K1211 PolarHBondContact O-N 3.12Å; F1209-I1224 HydrophobicContact CE2-CG2 4.21Å; F1209-I1224 HydrophobicContact CZ-CG2 3.67Å; F1209-H1228 HydrophobicContact CE1-CB 3.99Å; F1209-I1229 HydrophobicContact CE2-CG1 3.85Å; F1209-I1229 HydrophobicContact CZ-CG1 3.96Å
1210N55.2Low61.4Low35 Ų3561.8 Ų61.819%0.18733%0.327CS..  trans-80.2114.3171.5-168.3-25.6000108.8N1212 E1248N1210-N1212 PolarHBondContact O-N 3.14Å; N1210-N1212 WeakPolarHBondContact OD1-CB 3.5Å; N1210-N1212 PolarHBondContact OD1-N 3.02Å; N1210-E1248 PolarHBondContact ND2-OE1 3.38Å
1211K48.6Very low59.2Low121 Ų12169 Ų6953%0.52637%0.365SS..G310 helixtrans-74.2-14.6-172.8-138.7-178.9-175.8-172.40113.4F1209 T1213 V1214F1209-K1211 PolarHBondContact O-N 3.12Å; K1211-T1213 PolarHBondContact O-N 2.83Å; K1211-V1214 PolarHBondContact O-N 2.91Å
1212N47.6Very low57.2Low95 Ų9572.4 Ų72.451%0.50838%0.384SS..G310 helixtrans-7610.9-171.4-59.7-7.6000114.3N1210 E1308N1210-N1212 PolarHBondContact O-N 3.14Å; N1210-N1212 WeakPolarHBondContact OD1-CB 3.5Å; N1210-N1212 PolarHBondContact OD1-N 3.02Å; N1212-E1308 PolarHBondContact ND2-OE2 2.68Å
1213T46.8Very low54.9Low72 Ų7277 Ų7744%0.44241%0.41SS..G310 helixtrans-120.916.9174.569.90000113.2K1211 H1228K1211-T1213 PolarHBondContact O-N 2.83Å; T1213-H1228 PolarHBondContact OG1-ND1 2.82Å
1214V44.5Very low52.8Low55 Ų5580.8 Ų80.833%0.33343%0.429SS..  trans-127.688.1-178.6-175.30000109.1K1211 N1216K1211-V1214 PolarHBondContact O-N 2.91Å; V1214-N1216 VanDerWaalsContact CG1-O 3.31Å; V1214-N1216 WeakPolarHBondContact CG1-O 3.24Å; V1214-N1216 PolarHBondContact O-N 3.3Å
1215D44.2Very low50.9Low169 Ų16985.1 Ų85.190%0.90445%0.452SS*.SBendtrans-68.9-11.2-178-70.5-49.9000113.8
1216N41.5Very low49.3Very low84 Ų8485.9 Ų85.945%0.44946%0.464SS..  trans-134.8122.5-174-122.1-9.7000111.2V1214 N1218 D1219V1214-N1216 VanDerWaalsContact CG1-O 3.31Å; V1214-N1216 WeakPolarHBondContact CG1-O 3.24Å; V1214-N1216 PolarHBondContact O-N 3.3Å; N1216-N1218 PolarHBondContact O-N 3Å; N1216-D1219 HydrophobicContact CB-CB 4.45Å; N1216-D1219 WeakPolarHBondContact CB-OD2 3.26Å; N1216-D1219 PolarHBondContact ND2-OD2 2.69Å; N1216-D1219 PolarHBondContact O-N 3.01Å
1217P46.6Very low48.1Very low97 Ų9792 Ų9263%0.6350%0.497SS*.THydrogen-bonded Turntrans-68.8-18.4-179.828.3-34.9000113.7
1218N43.8Very low47.2Very low126 Ų12693.5 Ų93.567%0.67451%0.505SS*.THydrogen-bonded Turntrans-81.2-24.7-177.4-65-13.3000113.4N1216 L1220 L1221N1216-N1218 PolarHBondContact O-N 3Å; N1218-L1220 PolarHBondContact O-N 3.3Å; N1218-L1221 PolarHBondContact O-N 3Å
1219D45.8Very low46.9Very low96 Ų9694.3 Ų94.351%0.51351%0.51SS..G310 helixtrans-74.2-9.3-176.9-68.6-43.8000113.1N1216 L1221N1216-D1219 HydrophobicContact CB-CB 4.45Å; N1216-D1219 WeakPolarHBondContact CB-OD2 3.26Å; N1216-D1219 PolarHBondContact ND2-OD2 2.69Å; N1216-D1219 PolarHBondContact O-N 3.01Å; D1219-L1221 PolarHBondContact O-N 3.07Å; D1219-L1221 VanDerWaalsContact O-N 3.16Å
1220L39.3Very low47.2Very low81 Ų8192.9 Ų92.942%0.42450%0.504SS..G310 helixtrans-60.9-17.1173.1-85.4161.9000114.3N1218N1218-L1220 PolarHBondContact O-N 3.3Å
1221L38.8Very low48.2Very low154 Ų15491.2 Ų91.281%0.80650%0.496SS*.G310 helixtrans-82.5-19.1-175.1-96.987.2000115.6N1218 D1219N1218-L1221 PolarHBondContact O-N 3Å; D1219-L1221 PolarHBondContact O-N 3.07Å; D1219-L1221 VanDerWaalsContact O-N 3.16Å
1222T41.4Very low49.7Very low108 Ų10885.9 Ų85.966%0.66347%0.472SS*.THydrogen-bonded Turntrans-131.6-30-159.959.10000117.6
1223N35.1Very low51.4Low140 Ų14081.4 Ų81.475%0.74945%0.449SS*.  trans-15190.1-179.5-93.8-57000113.5N1225N1223-N1225 PolarHBondContact O-N 3.08Å
1224I40.6Very low53.3Low83 Ų8378 Ų7843%0.42643%0.427SS..  trans-79.4108.3166.6-71.3172.8000109.4F1209F1209-I1224 HydrophobicContact CE2-CG2 4.21Å; F1209-I1224 HydrophobicContact CZ-CG2 3.67Å
1225N44.4Very low55.3Low103 Ų10375.3 Ų75.355%0.55141%0.412SS*.  trans-69.3122.5169.5-97.7-38.8000110N1223 N1227 H1228N1223-N1225 PolarHBondContact O-N 3.08Å; N1225-N1227 PolarHBondContact O-N 3.38Å; N1225-H1228 PolarHBondContact O-N 2.86Å; N1225-H1228 VanDerWaalsContact O-N 3.1Å
1226P49.7Very low57.2Low74 Ų7467.3 Ų67.348%0.48137%0.369SS..G310 helixtrans-64.2-17.6-173.124.7-34.6000114.2H1228 I1229P1226-H1228 PolarHBondContact O-N 2.84Å; P1226-I1229 PolarHBondContact O-N 3.4Å
1227N52.1Low59.3Low142 Ų14263.3 Ų63.376%0.75935%0.347SS*.G310 helixtrans-66.3-18.7175.6-68.9-15.8000114N1225 I1229N1225-N1227 PolarHBondContact O-N 3.38Å; N1227-I1229 VanDerWaalsContact C-N 3.3Å
1228H55Low61.1Low78 Ų7863 Ų6336%0.36134%0.338SS..G310 helixtrans-84.7-3.2179.6-67.3-103.3000113.6F1209 T1213 N1225 P1226 S1230F1209-H1228 HydrophobicContact CE1-CB 3.99Å; T1213-H1228 PolarHBondContact OG1-ND1 2.82Å; N1225-H1228 PolarHBondContact O-N 2.86Å; N1225-H1228 VanDerWaalsContact O-N 3.1Å; P1226-H1228 PolarHBondContact O-N 2.84Å; H1228-S1230 PolarHBondContact O-N 2.03Å
1229I61.2Low63Low31 Ų3158.3 Ų58.316%0.15931%0.312CS..EExtended strand (participates in β ladder)trans-86.598.5178.5-55172.3000108.8R1161 K1207 F1209 P1226 N1227R1161-I1229 PolarHBondContact NH1-O 3.34Å; K1207-I1229 HydrophobicContact CB-CG2 3.77Å; K1207-I1229 HydrophobicContact CD-CG2 4.1Å; K1207-I1229 HydrophobicContact CG-CG2 3.88Å; F1209-I1229 HydrophobicContact CE2-CG1 3.85Å; F1209-I1229 HydrophobicContact CZ-CG1 3.96Å; P1226-I1229 PolarHBondContact O-N 3.4Å; N1227-I1229 VanDerWaalsContact C-N 3.3Å
1230S69.8Low64.6Low7 Ų753.7 Ų53.75%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-78153.8168.329.70000111.6Y1208 H1228 S1247 E1248Y1208-S1230 VanDerWaalsContact CE2-OG 3.24Å; Y1208-S1230 WeakPolarHBondContact CE2-OG 3.42Å; Y1208-S1230 PolarHBondContact N-O 3.33Å; Y1208-S1230 PolarHBondContact O-N 3.28Å; H1228-S1230 PolarHBondContact O-N 2.03Å; S1230-S1247 WeakPolarHBondContact CA-OG 3.29Å; S1230-S1247 WeakPolarHBondContact CB-OG 3.38Å; S1230-E1248 WeakPolarHBondContact CB-OE1 3.4Å; S1230-E1248 PolarHBondContact OG-OE1 3.13Å
1231V74.7Confident66.8Low0 Ų051.1 Ų51.10%028%0.276CS..EExtended strand (participates in β ladder)trans-129.8124-167.9-174.40000109.6F1163 Y1205 L1206 K1207 S1247F1163-V1231 HydrophobicContact CE2-CG1 3.89Å; F1163-V1231 HydrophobicContact CZ-CB 4.38Å; F1163-V1231 HydrophobicContact CZ-CG1 3.77Å; Y1205-V1231 HydrophobicContact CD2-CG1 4.22Å; Y1205-V1231 HydrophobicContact CG-CG1 4.27Å; L1206-V1231 CarbonylContact O-C 3.52Å; L1206-V1231 WeakPolarHBondContact O-CA 3.32Å; K1207-V1231 HydrophobicContact CG-CG2 4.47Å; V1231-S1247 PolarHBondContact N-OG 3.48Å; V1231-S1247 PolarHBondContact O-N 2.98Å
1232L80.9Confident69Low8 Ų843.9 Ų43.94%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-90.5112.3169.9-179.769.9000108.4Y1205 L1206 Y1208 F1244 F1245 L1253 I1312Y1205-L1232 CarbonylContact C-O 3.19Å; Y1205-L1232 VanDerWaalsContact CA-O 3.27Å; Y1205-L1232 WeakPolarHBondContact CA-O 3.48Å; L1206-L1232 HydrophobicContact CB-CB 4.3Å; L1206-L1232 PolarHBondContact N-O 3.37Å; L1206-L1232 PolarHBondContact O-N 3.17Å; Y1208-L1232 HydrophobicContact CD1-CB 4.18Å; Y1208-L1232 HydrophobicContact CE1-CB 4.14Å; L1232-F1244 HydrophobicContact CD1-CB 4.37Å; L1232-F1244 HydrophobicContact CD1-CD1 4.31Å; L1232-F1244 HydrophobicContact CD2-CD1 4.21Å; L1232-F1244 HydrophobicContact CG-CD1 4.36Å; L1232-F1245 CarbonylContact C-O 3.24Å; L1232-F1245 WeakPolarHBondContact CA-O 3.49Å; L1232-L1253 HydrophobicContact CD1-CD1 4.03Å; L1232-I1312 HydrophobicContact CD1-CD1 3.66Å; L1232-I1312 HydrophobicContact CD2-CD1 4.01Å; L1232-I1312 HydrophobicContact CG-CD1 4.48Å
1233L83.8Confident71.2Confident1 Ų140.5 Ų40.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-96.1134.3-179.9-178.359000110.5F1163 V1171 W1193 L1203 D1204 F1244 F1245F1163-L1233 HydrophobicContact CB-CD1 4.37Å; F1163-L1233 HydrophobicContact CD1-CD1 4.09Å; F1163-L1233 HydrophobicContact CD1-CD2 3.55Å; F1163-L1233 HydrophobicContact CD1-CG 4.38Å; F1163-L1233 HydrophobicContact CD2-CD1 3.39Å; F1163-L1233 HydrophobicContact CD2-CD2 4.43Å; F1163-L1233 HydrophobicContact CD2-CG 4.45Å; F1163-L1233 HydrophobicContact CE1-CB 4.4Å; F1163-L1233 HydrophobicContact CE1-CD1 4.17Å; F1163-L1233 HydrophobicContact CE1-CD2 3.59Å; F1163-L1233 HydrophobicContact CE1-CG 4.27Å; F1163-L1233 HydrophobicContact CE2-CB 4.41Å; F1163-L1233 HydrophobicContact CE2-CD1 3.48Å; F1163-L1233 VanDerWaalsContact CE2-CD1 3.48Å; F1163-L1233 HydrophobicContact CE2-CD2 4.44Å; F1163-L1233 HydrophobicContact CE2-CG 4.32Å; F1163-L1233 HydrophobicContact CG-CD1 3.71Å; F1163-L1233 HydrophobicContact CG-CD2 4Å; F1163-L1233 HydrophobicContact CG-CG 4.47Å; F1163-L1233 HydrophobicContact CZ-CB 4.09Å; F1163-L1233 HydrophobicContact CZ-CD1 3.88Å; F1163-L1233 HydrophobicContact CZ-CD2 4.05Å; F1163-L1233 HydrophobicContact CZ-CG 4.23Å; V1171-L1233 HydrophobicContact CG1-CD2 3.55Å; W1193-L1233 HydrophobicContact CE3-CD2 4.35Å; W1193-L1233 HydrophobicContact CH2-CD2 4.34Å; W1193-L1233 HydrophobicContact CZ3-CD2 3.77Å; L1203-L1233 HydrophobicContact CD2-CD1 3.49Å; L1203-L1233 VanDerWaalsContact CD2-CD1 3.49Å; L1203-L1233 HydrophobicContact CD2-CD2 4.17Å; L1203-L1233 HydrophobicContact CD2-CG 3.94Å; D1204-L1233 WeakPolarHBondContact O-CD1 3.22Å; L1233-F1244 CarbonylContact O-C 3.24Å; L1233-F1244 VanDerWaalsContact O-CA 3.29Å; L1233-F1244 WeakPolarHBondContact O-CA 3.47Å; L1233-F1245 HydrophobicContact CB-CB 4.45Å; L1233-F1245 HydrophobicContact CB-CD2 4.48Å; L1233-F1245 HydrophobicContact CD2-CD2 4.16Å; L1233-F1245 HydrophobicContact CG-CD2 4.34Å; L1233-F1245 PolarHBondContact N-O 2.96Å; L1233-F1245 PolarHBondContact O-N 2.8Å
1234I86Confident73.6Confident0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-116.8135.8172.3-48.8-175.1000109L1203 D1204 I1242 F1244 M1266 L1268 L1273L1203-I1234 WeakPolarHBondContact CA-O 3.39Å; D1204-I1234 PolarHBondContact N-O 3.26Å; D1204-I1234 PolarHBondContact O-N 3.17Å; I1234-I1242 HydrophobicContact CG2-CG2 3.48Å; I1234-I1242 VanDerWaalsContact CG2-CG2 3.48Å; I1234-F1244 HydrophobicContact CD1-CD1 3.8Å; I1234-F1244 HydrophobicContact CD1-CE1 3.25Å; I1234-F1244 HydrophobicContact CD1-CZ 3.71Å; I1234-F1244 HydrophobicContact CG1-CD1 3.69Å; I1234-F1244 HydrophobicContact CG1-CE1 3.71Å; I1234-F1244 HydrophobicContact CG1-CG 4.28Å; I1234-F1244 HydrophobicContact CG1-CZ 4.3Å; I1234-F1244 HydrophobicContact CG2-CE2 4.34Å; I1234-F1244 HydrophobicContact CG2-CZ 4.39Å; I1234-M1266 HydrophobicContact CB-SD 3.93Å; I1234-M1266 HydrophobicContact CG2-CE 4.05Å; I1234-M1266 HydrophobicContact CG2-SD 3.51Å; I1234-M1266 VanDerWaalsContact CG2-SD 3.51Å; I1234-L1268 HydrophobicContact CD1-CB 4.15Å; I1234-L1268 HydrophobicContact CD1-CD1 3.65Å; I1234-L1268 HydrophobicContact CD1-CD2 3.53Å; I1234-L1268 HydrophobicContact CD1-CG 3.96Å; I1234-L1268 HydrophobicContact CG1-CD2 4.21Å; I1234-L1273 HydrophobicContact CD1-CD1 4.06Å; I1234-L1273 HydrophobicContact CD1-CD2 4.4Å; I1234-L1273 HydrophobicContact CG2-CD2 4.47Å
1235S86.8Confident75.7Confident0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-131.1137.9-178.659.30000110.8H1196 I1242 K1243 F1245 M1266H1196-S1235 WeakPolarHBondContact NE2-CB 3.4Å; H1196-S1235 PolarHBondContact NE2-OG 3.02Å; S1235-I1242 WeakPolarHBondContact O-CA 3.35Å; S1235-K1243 PolarHBondContact N-O 3.31Å; S1235-K1243 PolarHBondContact O-N 3.45Å; S1235-K1243 PolarHBondContact OG-O 2.86Å; S1235-F1245 VanDerWaalsContact OG-CE2 3.24Å; S1235-F1245 WeakPolarHBondContact OG-CE2 3.34Å; S1235-M1266 VanDerWaalsContact C-CE 3.49Å
1236G84.7Confident77.4Confident0 Ų025.1 Ų25.10%013%0.133CC..EExtended strand (participates in β ladder)trans-124.6134.6179.700000110.2I1200 S1201 Q1202 M1266I1200-G1236 WeakPolarHBondContact CA-O 3.34Å; S1201-G1236 PolarHBondContact N-O 3.32Å; S1201-G1236 PolarHBondContact OG-O 3.44Å; Q1202-G1236 PolarHBondContact N-O 3.49Å; Q1202-G1236 PolarHBondContact O-N 2.92Å; G1236-M1266 VanDerWaalsContact CA-CE 3.47Å
1237S85.9Confident78.6Confident0 Ų022.5 Ų22.50%012%0.116CC..EExtended strand (participates in β ladder)trans-118.1160.1-176.3179.50000112.5H1196 R1198 A1199 D1239 G1240 C1241 V1263H1196-S1237 WeakPolarHBondContact ND1-CB 3.48Å; R1198-S1237 PolarHBondContact O-OG 2.77Å; A1199-S1237 WeakPolarHBondContact O-CA 3.46Å; A1199-S1237 PolarHBondContact O-OG 2.91Å; S1237-D1239 WeakPolarHBondContact CB-OD1 3.39Å; S1237-D1239 PolarHBondContact O-N 2.83Å; S1237-D1239 VanDerWaalsContact O-N 3.11Å; S1237-D1239 PolarHBondContact OG-N 2.94Å; S1237-G1240 PolarHBondContact O-N 3.34Å; S1237-G1240 VanDerWaalsContact O-N 3.08Å; S1237-C1241 PolarHBondContact N-O 3.37Å; S1237-V1263 PolarHBondContact O-N 2.83Å
1238E84.4Confident79.6Confident92 Ų9219.3 Ų19.343%0.4310%0.097SC..THydrogen-bonded Turntrans-62.5-6.2167.4-64.2-177.7157.200114R1198 A1199 G1240 P1262R1198-E1238 HydrophobicContact CB-CB 3.84Å; R1198-E1238 WeakPolarHBondContact CD-O 3.37Å; R1198-E1238 PolarHBondContact NH1-O 3.35Å; A1199-E1238 HydrophobicContact CB-CG 4.26Å; A1199-E1238 PolarHBondContact O-N 2.77Å; E1238-G1240 VanDerWaalsContact C-N 3.33Å; E1238-P1262 HydrophobicContact CB-CB 4.04Å; E1238-P1262 HydrophobicContact CG-CB 4.32Å
1239D83.6Confident80.3Confident26 Ų2617.4 Ų17.414%0.1399%0.092CC..THydrogen-bonded Turntrans-85.7-0.71717218.4000114.3H1196 S1197 R1198 S1237 C1241H1196-D1239 IonicContact ND1-OD1 3.31Å; S1197-D1239 WeakPolarHBondContact CB-OD2 3.45Å; S1197-D1239 PolarHBondContact N-OD2 3.06Å; S1197-D1239 WeakPolarHBondContact OG-CB 3.49Å; S1197-D1239 PolarHBondContact OG-OD2 2.83Å; R1198-D1239 HydrophobicContact CB-CB 4.29Å; R1198-D1239 HydrophobicContact CG-CB 4.1Å; S1237-D1239 WeakPolarHBondContact CB-OD1 3.39Å; S1237-D1239 PolarHBondContact O-N 2.83Å; S1237-D1239 VanDerWaalsContact O-N 3.11Å; S1237-D1239 PolarHBondContact OG-N 2.94Å; D1239-C1241 VanDerWaalsContact C-N 3.29Å; D1239-C1241 PolarHBondContact O-N 2.79Å; D1239-C1241 WeakPolarHBondContact OD1-CB 3.44Å; D1239-C1241 PolarHBondContact OD1-N 2.84Å; D1239-C1241 PolarHBondContact OD1-SG 2.77Å; D1239-C1241 VanDerWaalsContact OD1-SG 3.36Å
1240G79.5Confident80.6Confident0 Ų021.5 Ų21.50%011%0.114CC..SBendtrans83.8-2.5178.200000114.2S1237 E1238 D1259S1237-G1240 PolarHBondContact O-N 3.34Å; S1237-G1240 VanDerWaalsContact O-N 3.08Å; E1238-G1240 VanDerWaalsContact C-N 3.33Å; G1240-D1259 WeakPolarHBondContact CA-O 3.28Å
1241C84.5Confident80.6Confident27 Ų2724.7 Ų24.718%0.18214%0.137CC..EExtended strand (participates in β ladder)trans-84.1142.4176.7-59.20000112.3S1237 D1239S1237-C1241 PolarHBondContact N-O 3.37Å; D1239-C1241 VanDerWaalsContact C-N 3.29Å; D1239-C1241 PolarHBondContact O-N 2.79Å; D1239-C1241 WeakPolarHBondContact OD1-CB 3.44Å; D1239-C1241 PolarHBondContact OD1-N 2.84Å; D1239-C1241 PolarHBondContact OD1-SG 2.77Å; D1239-C1241 VanDerWaalsContact OD1-SG 3.36Å
1242I86.2Confident80.4Confident2 Ų227.1 Ų27.11%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-110.8130.6165.7-53.9176.4000107.8I1234 S1235 F1244 H1255 C1256 V1263 L1273 V1275I1234-I1242 HydrophobicContact CG2-CG2 3.48Å; I1234-I1242 VanDerWaalsContact CG2-CG2 3.48Å; S1235-I1242 WeakPolarHBondContact O-CA 3.35Å; I1242-F1244 HydrophobicContact CG2-CD2 4.4Å; I1242-F1244 HydrophobicContact CG2-CE2 3.92Å; I1242-H1255 VanDerWaalsContact O-CA 3.32Å; I1242-H1255 WeakPolarHBondContact O-CA 3.4Å; I1242-C1256 PolarHBondContact N-O 3.29Å; I1242-C1256 PolarHBondContact O-N 2.83Å; I1242-V1263 HydrophobicContact CG1-CG2 4.34Å; I1242-L1273 HydrophobicContact CD1-CD2 4.23Å; I1242-L1273 HydrophobicContact CG2-CD2 4.14Å; I1242-V1275 HydrophobicContact CD1-CB 4.23Å; I1242-V1275 HydrophobicContact CD1-CG1 3.7Å; I1242-V1275 HydrophobicContact CD1-CG2 3.46Å; I1242-V1275 VanDerWaalsContact CD1-CG2 3.46Å
1243K87Confident80.1Confident36 Ų3628.8 Ų28.816%0.15716%0.161CC..EExtended strand (participates in β ladder)trans-132.4131.5-178.6-60.1-176.9-168.3-1720110.9S1195 S1235 F1245 H1255S1195-K1243 PolarHBondContact O-NZ 2.82Å; S1235-K1243 PolarHBondContact N-O 3.31Å; S1235-K1243 PolarHBondContact O-N 3.45Å; S1235-K1243 PolarHBondContact OG-O 2.86Å; K1243-F1245 HydrophobicContact CB-CE1 4.44Å; K1243-F1245 HydrophobicContact CB-CE2 4.32Å; K1243-F1245 HydrophobicContact CB-CZ 3.83Å; K1243-H1255 HydrophobicContact CG-CB 3.96Å
1244F85.8Confident79.8Confident3 Ų331 Ų311%0.01317%0.171CC..EExtended strand (participates in β ladder)trans-102.8128-179.2-68.6-114.1000109.3L1232 L1233 I1234 I1242 P1252 L1253 F1254 L1273 L1287 I1312L1232-F1244 HydrophobicContact CD1-CB 4.37Å; L1232-F1244 HydrophobicContact CD1-CD1 4.31Å; L1232-F1244 HydrophobicContact CD2-CD1 4.21Å; L1232-F1244 HydrophobicContact CG-CD1 4.36Å; L1233-F1244 CarbonylContact O-C 3.24Å; L1233-F1244 VanDerWaalsContact O-CA 3.29Å; L1233-F1244 WeakPolarHBondContact O-CA 3.47Å; I1234-F1244 HydrophobicContact CD1-CD1 3.8Å; I1234-F1244 HydrophobicContact CD1-CE1 3.25Å; I1234-F1244 HydrophobicContact CD1-CZ 3.71Å; I1234-F1244 HydrophobicContact CG1-CD1 3.69Å; I1234-F1244 HydrophobicContact CG1-CE1 3.71Å; I1234-F1244 HydrophobicContact CG1-CG 4.28Å; I1234-F1244 HydrophobicContact CG1-CZ 4.3Å; I1234-F1244 HydrophobicContact CG2-CE2 4.34Å; I1234-F1244 HydrophobicContact CG2-CZ 4.39Å; I1242-F1244 HydrophobicContact CG2-CD2 4.4Å; I1242-F1244 HydrophobicContact CG2-CE2 3.92Å; F1244-P1252 CarbonylContact O-C 3.57Å; F1244-P1252 WeakPolarHBondContact O-CA 3.25Å; F1244-P1252 WeakPolarHBondContact O-CB 3.37Å; F1244-L1253 PolarHBondContact O-N 2.9Å; F1244-F1254 HydrophobicContact CB-CB 4.18Å; F1244-F1254 HydrophobicContact CD2-CB 4.11Å; F1244-F1254 AromaticContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CG 4.44Å; F1244-F1254 AromaticContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CE1 4.4Å; F1244-F1254 HydrophobicContact CG-CB 4.25Å; F1244-F1254 HydrophobicContact CZ-CD1 4.48Å; F1244-F1254 PolarHBondContact N-O 3.39Å; F1244-L1273 HydrophobicContact CE2-CD2 4.33Å; F1244-L1273 HydrophobicContact CZ-CD2 3.86Å; F1244-L1287 HydrophobicContact CE1-CD1 3.55Å; F1244-L1287 HydrophobicContact CZ-CD1 3.61Å; F1244-L1287 HydrophobicContact CZ-CD2 4.34Å; F1244-I1312 HydrophobicContact CB-CD1 4.15Å; F1244-I1312 HydrophobicContact CD1-CD1 3.84Å; F1244-I1312 HydrophobicContact CG-CD1 4.26Å
1245F84.7Confident79.5Confident0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-121.1144.7171.9-44.5-79.1000109.3V1171 W1193 S1195 L1232 L1233 S1235 K1243 P1252V1171-F1245 HydrophobicContact CB-CE2 4.48Å; V1171-F1245 HydrophobicContact CG2-CE2 4.16Å; W1193-F1245 HydrophobicContact CB-CD1 4.21Å; W1193-F1245 HydrophobicContact CB-CE1 3.83Å; W1193-F1245 HydrophobicContact CB-CE2 4.45Å; W1193-F1245 HydrophobicContact CB-CZ 3.99Å; W1193-F1245 AromaticContact CD1-CD1 3.45Å; W1193-F1245 VanDerWaalsContact CD1-CD1 3.45Å; W1193-F1245 AromaticContact CD1-CE1 3.81Å; W1193-F1245 HydrophobicContact CD2-CB 4.22Å; W1193-F1245 AromaticContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD1 4Å; W1193-F1245 HydrophobicContact CD2-CD2 4.25Å; W1193-F1245 HydrophobicContact CD2-CE1 4.49Å; W1193-F1245 AromaticContact CD2-CG 3.89Å; W1193-F1245 HydrophobicContact CD2-CG 3.89Å; W1193-F1245 AromaticContact CE2-CD1 3.98Å; W1193-F1245 AromaticContact CE2-CG 3.86Å; W1193-F1245 HydrophobicContact CE3-CD2 4.4Å; W1193-F1245 HydrophobicContact CE3-CG 4.42Å; W1193-F1245 AromaticContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD1 3.65Å; W1193-F1245 HydrophobicContact CG-CD2 4.46Å; W1193-F1245 AromaticContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CE1 3.8Å; W1193-F1245 HydrophobicContact CG-CG 4.03Å; W1193-F1245 HydrophobicContact CG-CZ 4.29Å; W1193-F1245 HydrophobicContact CH2-CB 4.26Å; W1193-F1245 HydrophobicContact CZ2-CB 3.74Å; W1193-F1245 HydrophobicContact CZ2-CG 4.33Å; W1193-F1245 AromaticContact NE1-CD1 3.65Å; W1193-F1245 AromaticContact NE1-CG 3.99Å; S1195-F1245 WeakPolarHBondContact OG-CZ 3.46Å; L1232-F1245 CarbonylContact C-O 3.24Å; L1232-F1245 WeakPolarHBondContact CA-O 3.49Å; L1233-F1245 HydrophobicContact CB-CB 4.45Å; L1233-F1245 HydrophobicContact CB-CD2 4.48Å; L1233-F1245 HydrophobicContact CD2-CD2 4.16Å; L1233-F1245 HydrophobicContact CG-CD2 4.34Å; L1233-F1245 PolarHBondContact N-O 2.96Å; L1233-F1245 PolarHBondContact O-N 2.8Å; S1235-F1245 VanDerWaalsContact OG-CE2 3.24Å; S1235-F1245 WeakPolarHBondContact OG-CE2 3.34Å; K1243-F1245 HydrophobicContact CB-CE1 4.44Å; K1243-F1245 HydrophobicContact CB-CE2 4.32Å; K1243-F1245 HydrophobicContact CB-CZ 3.83Å; F1245-P1252 HydrophobicContact CD1-CB 3.87Å; F1245-P1252 HydrophobicContact CE1-CB 3.66Å; F1245-P1252 HydrophobicContact CE1-CG 4.28Å
1246S78.8Confident79.1Confident0 Ų038.7 Ų38.70%021%0.209CC..EExtended strand (participates in β ladder)trans-95.5147.1161.7167.60000109.5Y1208 E1248 C1249Y1208-S1246 PolarHBondContact OH-OG 2.89Å; S1246-E1248 PolarHBondContact O-N 2.9Å; S1246-E1248 WeakPolarHBondContact OG-CB 3.43Å; S1246-E1248 PolarHBondContact OG-N 2.85Å; S1246-C1249 PolarHBondContact O-N 3.42Å; S1246-C1249 VanDerWaalsContact O-O 3.09Å
1247S75.3Confident78.8Confident19 Ų1942.2 Ų42.213%0.13324%0.238CC..THydrogen-bonded Turntrans-53.2-20.8164.857.20000113.5R1191 S1230 V1231R1191-S1247 VanDerWaalsContact CZ-O 3.3Å; R1191-S1247 PolarHBondContact NE-O 3Å; R1191-S1247 PolarHBondContact NH2-O 3.13Å; S1230-S1247 WeakPolarHBondContact CA-OG 3.29Å; S1230-S1247 WeakPolarHBondContact CB-OG 3.38Å; V1231-S1247 PolarHBondContact N-OG 3.48Å; V1231-S1247 PolarHBondContact O-N 2.98Å
1248E72.4Confident78Confident75 Ų7543.6 Ų43.635%0.3525%0.247SC..THydrogen-bonded Turntrans-86.1-21178.9-60.7166.8165.100112.8R1191 Y1208 N1210 S1230 S1246R1191-E1248 PolarHBondContact NH2-O 2.7Å; Y1208-E1248 PolarHBondContact OH-OE2 3.14Å; N1210-E1248 PolarHBondContact ND2-OE1 3.38Å; S1230-E1248 WeakPolarHBondContact CB-OE1 3.4Å; S1230-E1248 PolarHBondContact OG-OE1 3.13Å; S1246-E1248 PolarHBondContact O-N 2.9Å; S1246-E1248 WeakPolarHBondContact OG-CB 3.43Å; S1246-E1248 PolarHBondContact OG-N 2.85Å
1249C69.8Low77.3Confident39 Ų3941.1 Ų41.126%0.26424%0.236SC..  trans-123.2136.9-168.7-63.50000114.3W1193 S1246 L1253W1193-C1249 PolarHBondContact NE1-O 3.07Å; S1246-C1249 PolarHBondContact O-N 3.42Å; S1246-C1249 VanDerWaalsContact O-O 3.09Å; C1249-L1253 HydrophobicContact CB-CD2 4.16Å
1250D68.7Low77Confident116 Ų11645.7 Ų45.762%0.6227%0.265SS*.SBendtrans-81.4-25.5177-63.6-63.4000113.8R1191 W1193R1191-D1250 WeakPolarHBondContact CD-OD1 3.37Å; R1191-D1250 IonicContact CZ-OD1 2.67Å; R1191-D1250 IonicContact NE-OD1 3.67Å; R1191-D1250 IonicContact NH1-OD1 3.2Å; R1191-D1250 PolarHBondContact NH1-OD1 2.74Å; R1191-D1250 IonicContact NH1-OD2 3.27Å; R1191-D1250 PolarHBondContact NH1-OD2 2.87Å; W1193-D1250 PolarHBondContact NE1-O 3.22Å
1251S69.5Low77.1Confident75 Ų7547.3 Ų47.352%0.52428%0.276SS..SBendtrans-87150.7171.251.30000111.6L1253S1251-L1253 PolarHBondContact O-N 3.05Å
1252P70.8Confident76.8Confident51 Ų5148.1 Ų48.133%0.33128%0.28SS..  trans-62.6126.2165.224.8-31.1000110.1F1244 F1245 F1254F1244-P1252 CarbonylContact O-C 3.57Å; F1244-P1252 WeakPolarHBondContact O-CA 3.25Å; F1244-P1252 WeakPolarHBondContact O-CB 3.37Å; F1245-P1252 HydrophobicContact CD1-CB 3.87Å; F1245-P1252 HydrophobicContact CE1-CB 3.66Å; F1245-P1252 HydrophobicContact CE1-CG 4.28Å; P1252-F1254 VanDerWaalsContact C-N 3.3Å; P1252-F1254 PolarHBondContact O-N 2.87Å
1253L73.6Confident76.5Confident43 Ų4348.1 Ų48.123%0.22528%0.28CS..SBendtrans-65.1-36.3177-68.7-178.7000112L1232 F1244 C1249 S1251 L1310 I1312L1232-L1253 HydrophobicContact CD1-CD1 4.03Å; F1244-L1253 PolarHBondContact O-N 2.9Å; C1249-L1253 HydrophobicContact CB-CD2 4.16Å; S1251-L1253 PolarHBondContact O-N 3.05Å; L1253-L1310 HydrophobicContact CD1-CD2 3.88Å; L1253-I1312 HydrophobicContact CB-CD1 4.12Å; L1253-I1312 HydrophobicContact CD1-CD1 4.14Å
1254F77.5Confident76.1Confident46 Ų4649.2 Ų49.220%0.20229%0.288CS..EExtended strand (participates in β ladder)trans-149144.8-179.1-173.3-106.6000109.9F1244 P1252 C1256 I1312 L1314F1244-F1254 HydrophobicContact CB-CB 4.18Å; F1244-F1254 HydrophobicContact CD2-CB 4.11Å; F1244-F1254 AromaticContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CD1 3.76Å; F1244-F1254 HydrophobicContact CD2-CG 4.44Å; F1244-F1254 AromaticContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CD1 3.73Å; F1244-F1254 HydrophobicContact CE2-CE1 4.4Å; F1244-F1254 HydrophobicContact CG-CB 4.25Å; F1244-F1254 HydrophobicContact CZ-CD1 4.48Å; F1244-F1254 PolarHBondContact N-O 3.39Å; P1252-F1254 VanDerWaalsContact C-N 3.3Å; P1252-F1254 PolarHBondContact O-N 2.87Å; F1254-C1256 HydrophobicContact CE1-CB 3.87Å; F1254-C1256 HydrophobicContact CZ-CB 4.41Å; F1254-I1312 HydrophobicContact CB-CB 4.08Å; F1254-I1312 HydrophobicContact CB-CD1 4.49Å; F1254-I1312 WeakPolarHBondContact CD2-O 3.38Å; F1254-I1312 HydrophobicContact CG-CB 4.48Å; F1254-L1314 HydrophobicContact CZ-CB 4.35Å
1255H80.2Confident75.7Confident134 Ų13449.2 Ų49.262%0.6229%0.288SS*.EExtended strand (participates in β ladder)trans-137.1141.6171.767.5-82.7000109.8I1242 K1243I1242-H1255 VanDerWaalsContact O-CA 3.32Å; I1242-H1255 WeakPolarHBondContact O-CA 3.4Å; K1243-H1255 HydrophobicContact CG-CB 3.96Å
1256C78.2Confident75.7Confident28 Ų2849.7 Ų49.719%0.18929%0.29CS..EExtended strand (participates in β ladder)trans-138.6129.3178.1-166.90000109.4I1242 F1254 V1258I1242-C1256 PolarHBondContact N-O 3.29Å; I1242-C1256 PolarHBondContact O-N 2.83Å; F1254-C1256 HydrophobicContact CE1-CB 3.87Å; F1254-C1256 HydrophobicContact CZ-CB 4.41Å; C1256-V1258 HydrophobicContact CB-CG2 4.46Å; C1256-V1258 VanDerWaalsContact SG-CG2 3.58Å
1257A77.8Confident75.9Confident74 Ų7451.1 Ų51.161%0.61230%0.298SS*.EExtended strand (participates in β ladder)trans-109.897.7170.800000107.2
1258V70.3Confident76.1Confident29 Ų2951.1 Ų51.118%0.17630%0.296CS..  trans-84-37.6-171.4-174.90000111.3C1256 Y1283C1256-V1258 HydrophobicContact CB-CG2 4.46Å; C1256-V1258 VanDerWaalsContact SG-CG2 3.58Å; V1258-Y1283 HydrophobicContact CG1-CD1 3.5Å; V1258-Y1283 HydrophobicContact CG1-CD2 3.67Å; V1258-Y1283 HydrophobicContact CG1-CE1 3.44Å; V1258-Y1283 VanDerWaalsContact CG1-CE1 3.44Å; V1258-Y1283 HydrophobicContact CG1-CE2 3.63Å; V1258-Y1283 HydrophobicContact CG1-CG 3.6Å
1259D70.3Confident76.3Confident40 Ų4049.2 Ų49.221%0.21429%0.289CS..  trans-149.4160173.2179.926.8000109.6G1240 T1261 S1279G1240-D1259 WeakPolarHBondContact CA-O 3.28Å; D1259-T1261 VanDerWaalsContact C-N 3.27Å; D1259-T1261 PolarHBondContact O-N 2.98Å; D1259-T1261 WeakPolarHBondContact OD2-CB 3.49Å; D1259-T1261 WeakPolarHBondContact OD2-CG2 3.43Å; D1259-T1261 PolarHBondContact OD2-OG1 3.16Å; D1259-S1279 WeakPolarHBondContact OD2-CB 3.37Å; D1259-S1279 PolarHBondContact OD2-OG 3.16Å
1260T77.1Confident76.4Confident122 Ų12250.4 Ų50.475%0.74829%0.288SS*.SBendtrans-78.9-3.4178.558.50000114.4
1261T80.5Confident76.5Confident35 Ų3547.1 Ų47.122%0.21527%0.27CS..SBendtrans-97.1148.4179.170.10000111.2D1259 H1277 A1278 S1279D1259-T1261 VanDerWaalsContact C-N 3.27Å; D1259-T1261 PolarHBondContact O-N 2.98Å; D1259-T1261 WeakPolarHBondContact OD2-CB 3.49Å; D1259-T1261 WeakPolarHBondContact OD2-CG2 3.43Å; D1259-T1261 PolarHBondContact OD2-OG1 3.16Å; T1261-H1277 PolarHBondContact O-ND1 2.84Å; T1261-A1278 PolarHBondContact OG1-N 2.84Å; T1261-S1279 WeakPolarHBondContact OG1-CB 3.46Å; T1261-S1279 PolarHBondContact OG1-N 2.89Å; T1261-S1279 PolarHBondContact OG1-OG 2.71Å
1262P78.4Confident76.8Confident44 Ų4443.6 Ų43.629%0.28625%0.245SC..  trans-57.8141.5-173.223.1-35.8000112.4E1238 L1264 A1278E1238-P1262 HydrophobicContact CB-CB 4.04Å; E1238-P1262 HydrophobicContact CG-CB 4.32Å; P1262-L1264 PolarHBondContact O-N 3.26Å; P1262-A1278 HydrophobicContact CG-CB 3.75Å; P1262-A1278 PolarHBondContact O-N 3.01Å
1263V79.9Confident77.3Confident1 Ų141.3 Ų41.31%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-70113.3172.5-179.90000108.2S1201 S1237 I1242 V1275S1201-V1263 WeakPolarHBondContact CB-O 3.07Å; S1201-V1263 PolarHBondContact OG-O 3.4Å; S1237-V1263 PolarHBondContact O-N 2.83Å; I1242-V1263 HydrophobicContact CG1-CG2 4.34Å; V1263-V1275 HydrophobicContact CG1-CG1 4.17Å
1264L77.8Confident77.8Confident59 Ų5939.2 Ų39.231%0.30922%0.219SC..EExtended strand (participates in β ladder)trans-77-44.3176.8-67.6179000111Q1202 P1262 S1276 A1278 S1356Q1202-L1264 PolarHBondContact NE2-O 2.92Å; P1262-L1264 PolarHBondContact O-N 3.26Å; L1264-S1276 PolarHBondContact N-O 2.92Å; L1264-A1278 HydrophobicContact CD1-CB 4.25Å; L1264-A1278 HydrophobicContact CD2-CB 4.14Å; L1264-A1278 HydrophobicContact CG-CB 4.09Å; L1264-S1356 WeakPolarHBondContact CB-O 3.26Å
1265C78.6Confident78Confident4 Ų437 Ų373%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-148.9148.4-177.1-167.50000111.4S1276 I1357 N1358 L1359C1265-S1276 PolarHBondContact N-O 3.26Å; C1265-S1276 PolarHBondContact O-N 2.86Å; C1265-I1357 WeakPolarHBondContact CB-O 3.48Å; C1265-N1358 VanDerWaalsContact SG-CA 3.6Å; C1265-L1359 HydrophobicContact CB-CD1 4.01Å; C1265-L1359 HydrophobicContact CB-CG 3.84Å; C1265-L1359 PolarHBondContact SG-N 3.48Å
1266M84.1Confident78.1Confident9 Ų930.7 Ų30.74%0.04418%0.18CC..EExtended strand (participates in β ladder)trans-132.4160.5162.381173.672.300110.6Q1202 D1204 I1234 S1235 G1236 L1273 G1274Q1202-M1266 HydrophobicContact CB-CE 3.87Å; Q1202-M1266 HydrophobicContact CB-CG 4.12Å; D1204-M1266 HydrophobicContact CB-CG 4.26Å; D1204-M1266 HydrophobicContact CB-SD 4.09Å; I1234-M1266 HydrophobicContact CB-SD 3.93Å; I1234-M1266 HydrophobicContact CG2-CE 4.05Å; I1234-M1266 HydrophobicContact CG2-SD 3.51Å; I1234-M1266 VanDerWaalsContact CG2-SD 3.51Å; S1235-M1266 VanDerWaalsContact C-CE 3.49Å; G1236-M1266 VanDerWaalsContact CA-CE 3.47Å; M1266-L1273 HydrophobicContact CB-CD1 4.2Å; M1266-L1273 HydrophobicContact CG-CD1 4.47Å; M1266-L1273 HydrophobicContact SD-CD1 4.22Å; M1266-G1274 CarbonylContact C-O 3.44Å; M1266-G1274 WeakPolarHBondContact CA-O 3.18Å
1267N83.7Confident78.1Confident30 Ų3029.3 Ų29.316%0.1617%0.171CC..EExtended strand (participates in β ladder)trans-150128.8166.4-173.6-101.8000109.9G1274 L1359 L1361N1267-G1274 PolarHBondContact N-O 2.75Å; N1267-G1274 PolarHBondContact O-N 3.01Å; N1267-L1359 HydrophobicContact CB-CB 4.02Å; N1267-L1359 WeakPolarHBondContact CB-O 3.23Å; N1267-L1361 WeakPolarHBondContact O-CD1 3.22Å; N1267-L1361 PolarHBondContact OD1-N 3.03Å
1268L79.8Confident78Confident19 Ų1928.2 Ų28.210%0.09916%0.162CC..EExtended strand (participates in β ladder)trans-103.8128.2176.8-178.669.9000110.7D1204 L1206 I1234 L1273D1204-L1268 PolarHBondContact OD2-N 3.34Å; L1206-L1268 HydrophobicContact CB-CD2 3.79Å; I1234-L1268 HydrophobicContact CD1-CB 4.15Å; I1234-L1268 HydrophobicContact CD1-CD1 3.65Å; I1234-L1268 HydrophobicContact CD1-CD2 3.53Å; I1234-L1268 HydrophobicContact CD1-CG 3.96Å; I1234-L1268 HydrophobicContact CG1-CD2 4.21Å; L1268-L1273 HydrophobicContact CB-CD1 4.22Å; L1268-L1273 HydrophobicContact CD1-CB 4.16Å; L1268-L1273 HydrophobicContact CD1-CD1 4.39Å
1269N75Confident78.1Confident36 Ų3627.9 Ų27.919%0.19316%0.161CC..EExtended strand (participates in β ladder)trans-131108.8167.8-166.8-32.1000110.4L1271 A1272 L1361N1269-L1271 VanDerWaalsContact C-N 3.32Å; N1269-L1271 PolarHBondContact O-N 2.79Å; N1269-A1272 PolarHBondContact N-O 2.87Å; N1269-A1272 PolarHBondContact O-N 2.76Å; N1269-L1361 HydrophobicContact CB-CB 3.71Å; N1269-L1361 HydrophobicContact CB-CD1 4.4Å; N1269-L1361 PolarHBondContact ND2-O 2.83Å
1270R73.3Confident78.1Confident64 Ų6427.5 Ų27.524%0.24217%0.166CC..THydrogen-bonded Turntrans51.5-81.6-168.5-61.3-157.2-167.3159.8-4.6114.2M1363 S1499 L1502R1270-M1363 HydrophobicContact CB-CE 4.21Å; R1270-M1363 HydrophobicContact CG-CE 3.8Å; R1270-S1499 PolarHBondContact NE-O 3.22Å; R1270-S1499 PolarHBondContact NH2-O 3.26Å; R1270-L1502 HydrophobicContact CB-CD1 4.24Å
1271L70.8Confident77.9Confident47 Ų4722.6 Ų22.625%0.24614%0.137CC..THydrogen-bonded Turntrans-1344.4-175.8-68.7174.8000112.8N1269 L1287 V1289 L1502N1269-L1271 VanDerWaalsContact C-N 3.32Å; N1269-L1271 PolarHBondContact O-N 2.79Å; L1271-L1287 HydrophobicContact CB-CB 4.48Å; L1271-L1287 WeakPolarHBondContact CB-O 3.46Å; L1271-L1287 HydrophobicContact CD2-CB 4.3Å; L1271-L1287 WeakPolarHBondContact O-CB 3.37Å; L1271-L1287 PolarHBondContact O-N 3.4Å; L1271-V1289 HydrophobicContact CD2-CG2 3.76Å; L1271-L1502 HydrophobicContact CD1-CD1 4.08Å; L1271-L1502 HydrophobicContact CD2-CD1 4.2Å; L1271-L1502 HydrophobicContact CG-CD1 3.82Å
1272A74.5Confident77.9Confident1 Ų121.3 Ų21.31%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-99125.9167.800000109N1269 C1285 L1361 Y1385N1269-A1272 PolarHBondContact N-O 2.87Å; N1269-A1272 PolarHBondContact O-N 2.76Å; A1272-C1285 WeakPolarHBondContact CA-O 3.43Å; A1272-L1361 HydrophobicContact CB-CD1 3.88Å; A1272-L1361 WeakPolarHBondContact O-CD1 3.18Å; A1272-Y1385 HydrophobicContact CB-CD1 3.99Å; A1272-Y1385 HydrophobicContact CB-CD2 4.42Å; A1272-Y1385 HydrophobicContact CB-CE1 3.77Å; A1272-Y1385 HydrophobicContact CB-CE2 4.24Å; A1272-Y1385 HydrophobicContact CB-CG 4.3Å
1273L82.4Confident78Confident2 Ų220.9 Ų20.91%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-114.6116.9174.2175.570000109.1I1234 I1242 F1244 M1266 L1268 V1275 V1284 C1285 L1287I1234-L1273 HydrophobicContact CD1-CD1 4.06Å; I1234-L1273 HydrophobicContact CD1-CD2 4.4Å; I1234-L1273 HydrophobicContact CG2-CD2 4.47Å; I1242-L1273 HydrophobicContact CD1-CD2 4.23Å; I1242-L1273 HydrophobicContact CG2-CD2 4.14Å; F1244-L1273 HydrophobicContact CE2-CD2 4.33Å; F1244-L1273 HydrophobicContact CZ-CD2 3.86Å; M1266-L1273 HydrophobicContact CB-CD1 4.2Å; M1266-L1273 HydrophobicContact CG-CD1 4.47Å; M1266-L1273 HydrophobicContact SD-CD1 4.22Å; L1268-L1273 HydrophobicContact CB-CD1 4.22Å; L1268-L1273 HydrophobicContact CD1-CB 4.16Å; L1268-L1273 HydrophobicContact CD1-CD1 4.39Å; L1273-V1275 HydrophobicContact CD2-CG2 4.06Å; L1273-V1275 HydrophobicContact CG-CG2 3.91Å; L1273-V1284 WeakPolarHBondContact O-CA 3.38Å; L1273-C1285 HydrophobicContact CB-CB 4.29Å; L1273-C1285 PolarHBondContact N-O 3.46Å; L1273-C1285 PolarHBondContact O-N 2.74Å; L1273-L1287 HydrophobicContact CB-CD1 4.38Å
1274G82.6Confident78.1Confident0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-89.6138.7169.700000110.7M1266 N1267M1266-G1274 CarbonylContact C-O 3.44Å; M1266-G1274 WeakPolarHBondContact CA-O 3.18Å; N1267-G1274 PolarHBondContact N-O 2.75Å; N1267-G1274 PolarHBondContact O-N 3.01Å
1275V82.9Confident78.3Confident0 Ų018.4 Ų18.40%011%0.109CC..EExtended strand (participates in β ladder)trans-138.7130-175.6-171.60000110.3I1242 V1263 L1273 H1277 Y1283I1242-V1275 HydrophobicContact CD1-CB 4.23Å; I1242-V1275 HydrophobicContact CD1-CG1 3.7Å; I1242-V1275 HydrophobicContact CD1-CG2 3.46Å; I1242-V1275 VanDerWaalsContact CD1-CG2 3.46Å; V1263-V1275 HydrophobicContact CG1-CG1 4.17Å; L1273-V1275 HydrophobicContact CD2-CG2 4.06Å; L1273-V1275 HydrophobicContact CG-CG2 3.91Å; V1275-H1277 WeakPolarHBondContact CG1-NE2 3.36Å; V1275-Y1283 PolarHBondContact N-O 2.73Å; V1275-Y1283 PolarHBondContact O-N 2.74Å
1276S81Confident78.3Confident0 Ų018.5 Ų18.50%011%0.11CC..EExtended strand (participates in β ladder)trans-116.3130.7171.8-167.50000111.4L1264 C1265 S1356L1264-S1276 PolarHBondContact N-O 2.92Å; C1265-S1276 PolarHBondContact N-O 3.26Å; C1265-S1276 PolarHBondContact O-N 2.86Å; S1276-S1356 WeakPolarHBondContact CB-OG 3.11Å; S1276-S1356 PolarHBondContact OG-N 2.72Å; S1276-S1356 PolarHBondContact OG-O 2.9Å; S1276-S1356 PolarHBondContact OG-OG 3.12Å
1277H78.6Confident77.8Confident0 Ų018.4 Ų18.40%011%0.11CC..EExtended strand (participates in β ladder)trans-111.3148.8179.3-77.6-92.8000111.6T1261 V1275 S1279 G1280 S1281 Y1283T1261-H1277 PolarHBondContact O-ND1 2.84Å; V1275-H1277 WeakPolarHBondContact CG1-NE2 3.36Å; H1277-S1279 PolarHBondContact O-N 2.82Å; H1277-G1280 PolarHBondContact O-N 2.64Å; H1277-S1281 PolarHBondContact N-O 3.41Å; H1277-S1281 VanDerWaalsContact N-O 3.08Å; H1277-Y1283 AromaticContact CD2-CD2 3.9Å; H1277-Y1283 AromaticContact CD2-CE2 3.94Å
1278A75.5Confident77.2Confident50 Ų5021.1 Ų21.141%0.41312%0.121SC..THydrogen-bonded Turntrans-63.5-11.2179.800000115T1261 P1262 L1264 G1280T1261-A1278 PolarHBondContact OG1-N 2.84Å; P1262-A1278 HydrophobicContact CG-CB 3.75Å; P1262-A1278 PolarHBondContact O-N 3.01Å; L1264-A1278 HydrophobicContact CD1-CB 4.25Å; L1264-A1278 HydrophobicContact CD2-CB 4.14Å; L1264-A1278 HydrophobicContact CG-CB 4.09Å; A1278-G1280 PolarHBondContact O-N 3.4Å
1279S72.3Confident76.7Confident23 Ų2321.5 Ų21.516%0.16112%0.124CC..THydrogen-bonded Turntrans-66.7-8.6166.853.80000114.9D1259 T1261 H1277 R1353D1259-S1279 WeakPolarHBondContact OD2-CB 3.37Å; D1259-S1279 PolarHBondContact OD2-OG 3.16Å; T1261-S1279 WeakPolarHBondContact OG1-CB 3.46Å; T1261-S1279 PolarHBondContact OG1-N 2.89Å; T1261-S1279 PolarHBondContact OG1-OG 2.71Å; H1277-S1279 PolarHBondContact O-N 2.82Å; S1279-R1353 VanDerWaalsContact O-CD 3.24Å; S1279-R1353 WeakPolarHBondContact O-CD 3.01Å; S1279-R1353 PolarHBondContact O-NH1 3.46Å; S1279-R1353 VanDerWaalsContact O-NH1 3.15Å
1280G70.5Confident76.1Confident31 Ų3122.3 Ų22.332%0.3213%0.128SC..THydrogen-bonded Turntrans8317.1-172.900000113.4H1277 A1278H1277-G1280 PolarHBondContact O-N 2.64Å; A1278-G1280 PolarHBondContact O-N 3.4Å
1281S73.6Confident75.4Confident20 Ų2021.2 Ų21.214%0.1413%0.126CC..EExtended strand (participates in β ladder)trans-102.4129.8-179.2-690000111.7H1277 Y1283H1277-S1281 PolarHBondContact N-O 3.41Å; H1277-S1281 VanDerWaalsContact N-O 3.08Å; S1281-Y1283 VanDerWaalsContact CB-CE2 3.47Å
1282L80.5Confident74.4Confident8 Ų823.6 Ų23.64%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-111.9121.6-178-175.570000109.2L1320 L1359 L1387 T1389 W1399L1282-L1320 HydrophobicContact CB-CB 4.34Å; L1282-L1320 HydrophobicContact CD2-CB 4.08Å; L1282-L1320 HydrophobicContact CD2-CD1 3.71Å; L1282-L1320 HydrophobicContact CG-CB 4.36Å; L1282-L1320 HydrophobicContact CG-CD1 4.09Å; L1282-L1320 PolarHBondContact O-N 2.73Å; L1282-L1359 HydrophobicContact CD1-CD1 4.41Å; L1282-L1359 HydrophobicContact CD1-CD2 3.65Å; L1282-L1387 HydrophobicContact CD1-CD2 4.1Å; L1282-L1387 HydrophobicContact CD2-CD2 3.85Å; L1282-L1387 HydrophobicContact CG-CD2 4.08Å; L1282-T1389 HydrophobicContact CD1-CG2 3.97Å; L1282-T1389 HydrophobicContact CD2-CG2 3.65Å; L1282-T1389 HydrophobicContact CG-CG2 4.48Å; L1282-W1399 HydrophobicContact CD2-CD2 4.11Å; L1282-W1399 HydrophobicContact CD2-CG 4.43Å; L1282-W1399 HydrophobicContact CD2-CZ2 3.85Å
1283Y80.7Confident73Confident35 Ų3526.9 Ų26.914%0.13715%0.154CC..EExtended strand (participates in β ladder)trans-119.7142.8-177.5-60-98.7000110.6V1258 V1275 H1277 S1281 L1317 S1318 L1319V1258-Y1283 HydrophobicContact CG1-CD1 3.5Å; V1258-Y1283 HydrophobicContact CG1-CD2 3.67Å; V1258-Y1283 HydrophobicContact CG1-CE1 3.44Å; V1258-Y1283 VanDerWaalsContact CG1-CE1 3.44Å; V1258-Y1283 HydrophobicContact CG1-CE2 3.63Å; V1258-Y1283 HydrophobicContact CG1-CG 3.6Å; V1275-Y1283 PolarHBondContact N-O 2.73Å; V1275-Y1283 PolarHBondContact O-N 2.74Å; H1277-Y1283 AromaticContact CD2-CD2 3.9Å; H1277-Y1283 AromaticContact CD2-CE2 3.94Å; S1281-Y1283 VanDerWaalsContact CB-CE2 3.47Å; Y1283-L1317 HydrophobicContact CD1-CD1 4.07Å; Y1283-L1317 HydrophobicContact CD1-CG 4.5Å; Y1283-S1318 CarbonylContact C-O 3.54Å; Y1283-S1318 WeakPolarHBondContact CA-O 3.38Å; Y1283-L1319 HydrophobicContact CD1-CB 4.32Å; Y1283-L1319 HydrophobicContact CD1-CD1 3.94Å; Y1283-L1319 HydrophobicContact CD2-CD1 4.44Å; Y1283-L1319 HydrophobicContact CE1-CB 4.34Å; Y1283-L1319 HydrophobicContact CE1-CD1 3.62Å; Y1283-L1319 HydrophobicContact CE1-CG 4.5Å; Y1283-L1319 HydrophobicContact CE2-CD1 4.14Å; Y1283-L1319 HydrophobicContact CG-CD1 4.36Å
1284V82.6Confident71.1Confident1 Ų130.5 Ų30.51%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-122.7120.2165.9179.20000109.6L1273 S1318 L1320 L1387 L1401L1273-V1284 WeakPolarHBondContact O-CA 3.38Å; V1284-S1318 WeakPolarHBondContact CB-OG 3.16Å; V1284-S1318 PolarHBondContact N-O 3.49Å; V1284-S1318 PolarHBondContact O-N 3.06Å; V1284-S1318 PolarHBondContact O-OG 3.23Å; V1284-L1320 HydrophobicContact CG2-CD1 3.97Å; V1284-L1387 HydrophobicContact CG2-CD2 3.64Å; V1284-L1401 HydrophobicContact CB-CD2 4.48Å; V1284-L1401 HydrophobicContact CG1-CD1 4.32Å; V1284-L1401 HydrophobicContact CG2-CD2 3.86Å
1285C81.4Confident69Low6 Ų636.8 Ų36.84%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-99.3121.7178.5-58.10000109.1A1272 L1273 L1314 D1316 L1317A1272-C1285 WeakPolarHBondContact CA-O 3.43Å; L1273-C1285 HydrophobicContact CB-CB 4.29Å; L1273-C1285 PolarHBondContact N-O 3.46Å; L1273-C1285 PolarHBondContact O-N 2.74Å; C1285-L1314 HydrophobicContact CB-CD1 3.61Å; C1285-D1316 WeakPolarHBondContact CA-O 3.45Å; C1285-L1317 WeakPolarHBondContact SG-CD1 3.44Å
1286C78.3Confident66.9Low7 Ų743.5 Ų43.55%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-91.9130.7165.8-73.80000109.2I1315 D1316 L1382C1286-I1315 HydrophobicContact CB-CB 4.16Å; C1286-I1315 PolarHBondContact O-N 3.06Å; C1286-D1316 HydrophobicContact CB-CB 4.37Å; C1286-D1316 PolarHBondContact N-O 3.24Å; C1286-L1382 VanDerWaalsContact SG-CD2 3.55Å
1287L74.4Confident64.5Low7 Ų749.7 Ų49.74%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-114.2149.8-173.5-57167.9000111.3F1244 L1271 L1273 I1312 R1313 L1314 I1315F1244-L1287 HydrophobicContact CE1-CD1 3.55Å; F1244-L1287 HydrophobicContact CZ-CD1 3.61Å; F1244-L1287 HydrophobicContact CZ-CD2 4.34Å; L1271-L1287 HydrophobicContact CB-CB 4.48Å; L1271-L1287 WeakPolarHBondContact CB-O 3.46Å; L1271-L1287 HydrophobicContact CD2-CB 4.3Å; L1271-L1287 WeakPolarHBondContact O-CB 3.37Å; L1271-L1287 PolarHBondContact O-N 3.4Å; L1273-L1287 HydrophobicContact CB-CD1 4.38Å; L1287-I1312 HydrophobicContact CB-CG2 4.34Å; L1287-I1312 HydrophobicContact CD2-CG2 4.19Å; L1287-R1313 CarbonylContact C-O 3.56Å; L1287-R1313 VanDerWaalsContact CA-O 3.25Å; L1287-R1313 WeakPolarHBondContact CA-O 3.34Å; L1287-L1314 HydrophobicContact CD2-CD1 4.06Å; L1287-I1315 WeakPolarHBondContact O-CD1 3.34Å
1288E71.5Confident62.3Low87 Ų8752.1 Ų52.141%0.40732%0.315SS..EExtended strand (participates in β ladder)trans-116.5135.4167.3-153173.9-162.600108.6L1290 I1312 R1313 I1315E1288-L1290 HydrophobicContact CG-CD2 4.41Å; E1288-L1290 HydrophobicContact CG-CG 4.09Å; E1288-I1312 CarbonylContact O-C 3.42Å; E1288-I1312 WeakPolarHBondContact O-CA 3.25Å; E1288-R1313 HydrophobicContact CB-CB 4.29Å; E1288-R1313 PolarHBondContact N-O 3.02Å; E1288-R1313 PolarHBondContact O-N 3.48Å; E1288-I1315 HydrophobicContact CB-CD1 3.79Å; E1288-I1315 HydrophobicContact CB-CG1 3.78Å; E1288-I1315 HydrophobicContact CG-CD1 4.26Å
1289V67.7Low60.3Low26 Ų2656.3 Ų56.316%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-103.3109.7169.2172.60000107.5L1271 L1310 I1312 L1504L1271-V1289 HydrophobicContact CD2-CG2 3.76Å; V1289-L1310 HydrophobicContact CG1-CD2 3.61Å; V1289-L1310 HydrophobicContact CG1-CG 4.01Å; V1289-I1312 HydrophobicContact CG2-CG1 4.47Å; V1289-L1504 HydrophobicContact CG1-CD1 4.4Å; V1289-L1504 HydrophobicContact CG1-CD2 4.02Å
1290L62.5Low58.2Low53 Ų5363.2 Ų63.228%0.27737%0.37SS..EExtended strand (participates in β ladder)trans-107.9119.4179.9-72.7162.3000109.8E1288 K1292 E1311 R1313E1288-L1290 HydrophobicContact CG-CD2 4.41Å; E1288-L1290 HydrophobicContact CG-CG 4.09Å; L1290-K1292 PolarHBondContact O-N 3.49Å; L1290-E1311 PolarHBondContact N-O 3.49Å; L1290-E1311 PolarHBondContact O-N 3.31Å; L1290-R1313 HydrophobicContact CD1-CG 3.99Å
1291H58.9Low56.4Low42 Ų4269.6 Ų69.619%0.19440%0.396CS..EExtended strand (participates in β ladder)trans-73.8116.8162.8-95.7-124.3000109.2E1308 T1506H1291-E1308 IonicContact CE1-OE2 2.74Å; H1291-E1308 PolarHBondContact CE1-OE2 2.93Å; H1291-E1308 IonicContact CG-OE2 2.75Å; H1291-E1308 IonicContact ND1-OE2 3.94Å; H1291-E1308 PolarHBondContact ND1-OE2 3.18Å; H1291-T1506 HydrophobicContact CB-CG2 4.15Å
1292K49.9Very low54.3Low96 Ų9678.4 Ų78.442%0.41743%0.431SS..EExtended strand (participates in β ladder)trans-100.392179.3-165.1-174.6-152.2164.60109.6L1290 T1294 S1309 E1311L1290-K1292 PolarHBondContact O-N 3.49Å; K1292-T1294 PolarHBondContact O-N 2.82Å; K1292-S1309 WeakPolarHBondContact CB-O 3.31Å; K1292-S1309 PolarHBondContact N-O 3.4Å; K1292-S1309 PolarHBondContact O-N 3.48Å; K1292-E1311 WeakPolarHBondContact CD-OE2 3.28Å; K1292-E1311 WeakPolarHBondContact CE-OE2 3.22Å; K1292-E1311 IonicContact NZ-OE2 3.94Å; K1292-E1311 PolarHBondContact NZ-OE2 3.46Å
1293T46.1Very low51.9Low71 Ų7182.9 Ų82.944%0.43647%0.47SS..EExtended strand (participates in β ladder)trans-73.8101.3169.9400000109.8N1295 E1308T1293-N1295 VanDerWaalsContact C-N 3.31Å; T1293-N1295 PolarHBondContact O-N 2.82Å; T1293-E1308 HydrophobicContact CG2-CG 4.03Å; T1293-E1308 WeakPolarHBondContact CG2-OE1 3.46Å
1294T41.3Very low49.3Very low78 Ų7891 Ų9148%0.47951%0.506SS..  trans-75.982.7175.754.60000110.5K1292 N1296K1292-T1294 PolarHBondContact O-N 2.82Å; T1294-N1296 VanDerWaalsContact C-N 3.31Å; T1294-N1296 PolarHBondContact O-N 3.16Å
1295N38.6Very low46.9Very low131 Ų13198.2 Ų98.270%0.70154%0.544SS*.  trans-68.488.6169.9-81.8-4.6000109.9T1293 S1297T1293-N1295 VanDerWaalsContact C-N 3.31Å; T1293-N1295 PolarHBondContact O-N 2.82Å; N1295-S1297 PolarHBondContact O-N 2.77Å
1296N38.7Very low44.6Very low142 Ų142105.1 Ų105.176%0.75958%0.576SS**  trans-66.794170.7-75.9-9000109.5T1294 G1298T1294-N1296 VanDerWaalsContact C-N 3.31Å; T1294-N1296 PolarHBondContact O-N 3.16Å; N1296-G1298 PolarHBondContact O-N 2.98Å
1297S31.6Very low42.8Very low129 Ų129111 Ų11190%0.90261%0.606SS**  trans-74.471.3173.559.50000110.6N1295N1295-S1297 PolarHBondContact O-N 2.77Å
1298G31.1Very low41.5Very low52 Ų52113.3 Ų113.354%0.53662%0.617SS.*SBendtrans164.1144.6178.500000113.4N1296N1296-G1298 PolarHBondContact O-N 2.98Å
1299V34Very low40.6Very low138 Ų138111.6 Ų111.684%0.83661%0.614SS**  trans70.1111.9179.2-169.40000115.1L1301V1299-L1301 PolarHBondContact O-N 3.43Å
1300N28.9Very low40.4Very low168 Ų168111.2 Ų111.290%0.89861%0.611SS**  trans-64.3122.3169.8-72.2-51.5000111.3
1301L32.5Very low40.6Very low165 Ų165111.1 Ų111.186%0.86461%0.609SS**  trans-148.6136.5157.3-107.7156.4000109.8V1299V1299-L1301 PolarHBondContact O-N 3.43Å
1302K28.4Very low41.1Very low204 Ų204109.5 Ų109.589%0.88760%0.602SS**  trans-81.3169.8179.7-66.7178.5178.8177.50110.7
1303A31.1Very low41.8Very low103 Ų103110.9 Ų110.985%0.85160%0.604SS**SBendtrans83.2115-176.500000114.5N1305A1303-N1305 PolarHBondContact O-N 3.21Å
1304K25.7Very low43Very low204 Ų204110.6 Ų110.689%0.88760%0.6SS**  trans-58.2125177.9-63.3173.7173.5-175.90110.8
1305N33.4Very low44.3Very low153 Ų153110.2 Ų110.282%0.81859%0.594SS**  trans-162.487.9147.7-98.3-19.5000107.7A1303 I1307A1303-N1305 PolarHBondContact O-N 3.21Å; N1305-I1307 PolarHBondContact O-N 3.07Å
1306Q31.9Very low45.7Very low151 Ų151105.6 Ų105.671%0.70657%0.57SS**  trans-70.9107.1167.9-76.1171.8-7300107.4E1308Q1306-E1308 VanDerWaalsContact C-N 3.29Å; Q1306-E1308 PolarHBondContact O-N 2.92Å
1307I39.7Very low47.3Very low132 Ų132102.5 Ų102.568%0.67755%0.553SS**  trans-7786.8175.5-57.7174.6000107.3N1305 S1309N1305-I1307 PolarHBondContact O-N 3.07Å; I1307-S1309 PolarHBondContact O-N 3.31Å
1308E47.3Very low49.2Very low55 Ų5596.4 Ų96.426%0.25751%0.51SS..EExtended strand (participates in β ladder)trans-73.7109.1171.3-59.8-159.7157.600109.1N1212 H1291 T1293 Q1306N1212-E1308 PolarHBondContact ND2-OE2 2.68Å; H1291-E1308 IonicContact CE1-OE2 2.74Å; H1291-E1308 PolarHBondContact CE1-OE2 2.93Å; H1291-E1308 IonicContact CG-OE2 2.75Å; H1291-E1308 IonicContact ND1-OE2 3.94Å; H1291-E1308 PolarHBondContact ND1-OE2 3.18Å; T1293-E1308 HydrophobicContact CG2-CG 4.03Å; T1293-E1308 WeakPolarHBondContact CG2-OE1 3.46Å; Q1306-E1308 VanDerWaalsContact C-N 3.29Å; Q1306-E1308 PolarHBondContact O-N 2.92Å
1309S54.2Low51.2Low51 Ų5197.3 Ų97.336%0.35750%0.502SS..EExtended strand (participates in β ladder)trans-89.8126.3174.950.90000110K1292 I1307 E1311K1292-S1309 WeakPolarHBondContact CB-O 3.31Å; K1292-S1309 PolarHBondContact N-O 3.4Å; K1292-S1309 PolarHBondContact O-N 3.48Å; I1307-S1309 PolarHBondContact O-N 3.31Å; S1309-E1311 PolarHBondContact O-N 3.27Å
1310L62.5Low52.7Low17 Ų1791 Ų919%0.08946%0.464CS..EExtended strand (participates in β ladder)trans-88.489.8-176.1-160.5156000108.5Y1208 L1253 V1289 I1312Y1208-L1310 HydrophobicContact CE2-CD1 3.66Å; L1253-L1310 HydrophobicContact CD1-CD2 3.88Å; V1289-L1310 HydrophobicContact CG1-CD2 3.61Å; V1289-L1310 HydrophobicContact CG1-CG 4.01Å; L1310-I1312 HydrophobicContact CD2-CG1 4.26Å
1311E66.7Low54.1Low52 Ų5288.9 Ų88.924%0.24345%0.452CS..EExtended strand (participates in β ladder)trans-88.4115.4-174.7-172177.7127.300110.3L1290 K1292 S1309 R1313L1290-E1311 PolarHBondContact N-O 3.49Å; L1290-E1311 PolarHBondContact O-N 3.31Å; K1292-E1311 WeakPolarHBondContact CD-OE2 3.28Å; K1292-E1311 WeakPolarHBondContact CE-OE2 3.22Å; K1292-E1311 IonicContact NZ-OE2 3.94Å; K1292-E1311 PolarHBondContact NZ-OE2 3.46Å; S1309-E1311 PolarHBondContact O-N 3.27Å; E1311-R1313 HydrophobicContact CG-CG 4.46Å; E1311-R1313 IonicContact OE1-CZ 3.56Å; E1311-R1313 IonicContact OE1-NE 3.55Å; E1311-R1313 PolarHBondContact OE1-NE 2.99Å; E1311-R1313 IonicContact OE1-NH2 2.7Å; E1311-R1313 PolarHBondContact OE1-NH2 3.28Å
1312I70.4Confident54.8Low8 Ų885.9 Ų85.94%0.04144%0.437CS..EExtended strand (participates in β ladder)trans-90.1123.2174-53.5177000108.9L1232 F1244 L1253 F1254 L1287 E1288 V1289 L1310L1232-I1312 HydrophobicContact CD1-CD1 3.66Å; L1232-I1312 HydrophobicContact CD2-CD1 4.01Å; L1232-I1312 HydrophobicContact CG-CD1 4.48Å; F1244-I1312 HydrophobicContact CB-CD1 4.15Å; F1244-I1312 HydrophobicContact CD1-CD1 3.84Å; F1244-I1312 HydrophobicContact CG-CD1 4.26Å; L1253-I1312 HydrophobicContact CB-CD1 4.12Å; L1253-I1312 HydrophobicContact CD1-CD1 4.14Å; F1254-I1312 HydrophobicContact CB-CB 4.08Å; F1254-I1312 HydrophobicContact CB-CD1 4.49Å; F1254-I1312 WeakPolarHBondContact CD2-O 3.38Å; F1254-I1312 HydrophobicContact CG-CB 4.48Å; L1287-I1312 HydrophobicContact CB-CG2 4.34Å; L1287-I1312 HydrophobicContact CD2-CG2 4.19Å; E1288-I1312 CarbonylContact O-C 3.42Å; E1288-I1312 WeakPolarHBondContact O-CA 3.25Å; V1289-I1312 HydrophobicContact CG2-CG1 4.47Å; L1310-I1312 HydrophobicContact CD2-CG1 4.26Å
1313R64.7Low55.1Low124 Ų12479.3 Ų79.347%0.46843%0.427SS..EExtended strand (participates in β ladder)trans-109.6154173.5-68-167.6-180172.9-0.2112L1287 E1288 L1290 E1311L1287-R1313 CarbonylContact C-O 3.56Å; L1287-R1313 VanDerWaalsContact CA-O 3.25Å; L1287-R1313 WeakPolarHBondContact CA-O 3.34Å; E1288-R1313 HydrophobicContact CB-CB 4.29Å; E1288-R1313 PolarHBondContact N-O 3.02Å; E1288-R1313 PolarHBondContact O-N 3.48Å; L1290-R1313 HydrophobicContact CD1-CG 3.99Å; E1311-R1313 HydrophobicContact CG-CG 4.46Å; E1311-R1313 IonicContact OE1-CZ 3.56Å; E1311-R1313 IonicContact OE1-NE 3.55Å; E1311-R1313 PolarHBondContact OE1-NE 2.99Å; E1311-R1313 IonicContact OE1-NH2 2.7Å; E1311-R1313 PolarHBondContact OE1-NH2 3.28Å
1314L70.5Confident54.8Low65 Ų6584.7 Ų84.734%0.3443%0.432SS..EExtended strand (participates in β ladder)trans-95.2115.8170.8-174.365.2000108.7F1254 C1285 L1287 L1317F1254-L1314 HydrophobicContact CZ-CB 4.35Å; C1285-L1314 HydrophobicContact CB-CD1 3.61Å; L1287-L1314 HydrophobicContact CD2-CD1 4.06Å; L1314-L1317 HydrophobicContact CD2-CB 4.2Å
1315I69.2Low54.8Low70 Ų7078.5 Ų78.536%0.35943%0.426SS..EExtended strand (participates in β ladder)trans-83.6-48-178.7-53.6174.4000111.2C1286 L1287 E1288C1286-I1315 HydrophobicContact CB-CB 4.16Å; C1286-I1315 PolarHBondContact O-N 3.06Å; L1287-I1315 WeakPolarHBondContact O-CD1 3.34Å; E1288-I1315 HydrophobicContact CB-CD1 3.79Å; E1288-I1315 HydrophobicContact CB-CG1 3.78Å; E1288-I1315 HydrophobicContact CG-CD1 4.26Å
1316D67.8Low54.4Low35 Ų3578.8 Ų78.819%0.18743%0.426CS..EExtended strand (participates in β ladder)trans-143.7146.8177.3-171.110.1000108.9C1285 C1286 L1382 K1404C1285-D1316 WeakPolarHBondContact CA-O 3.45Å; C1286-D1316 HydrophobicContact CB-CB 4.37Å; C1286-D1316 PolarHBondContact N-O 3.24Å; D1316-L1382 WeakPolarHBondContact OD2-CD1 3.42Å; D1316-K1404 IonicContact OD2-NZ 2.92Å; D1316-K1404 PolarHBondContact OD2-NZ 3.46Å
1317L72.4Confident54.2Low77 Ų7774.6 Ų74.640%0.40341%0.414SS..EExtended strand (participates in β ladder)trans-126.199.5173.517863000108Y1283 C1285 L1314Y1283-L1317 HydrophobicContact CD1-CD1 4.07Å; Y1283-L1317 HydrophobicContact CD1-CG 4.5Å; C1285-L1317 WeakPolarHBondContact SG-CD1 3.44Å; L1314-L1317 HydrophobicContact CD2-CB 4.2Å
1318S70.9Confident53.6Low1 Ų173.3 Ų73.31%0.00742%0.416CS..EExtended strand (participates in β ladder)trans-99.6115.6-177.761.30000111.5Y1283 V1284 K1404Y1283-S1318 CarbonylContact C-O 3.54Å; Y1283-S1318 WeakPolarHBondContact CA-O 3.38Å; V1284-S1318 WeakPolarHBondContact CB-OG 3.16Å; V1284-S1318 PolarHBondContact N-O 3.49Å; V1284-S1318 PolarHBondContact O-N 3.06Å; V1284-S1318 PolarHBondContact O-OG 3.23Å; S1318-K1404 VanDerWaalsContact CB-CE 3.45Å
1319L72.6Confident52.8Low70 Ų7077.5 Ų77.537%0.36644%0.436SS..EExtended strand (participates in β ladder)trans-83.1120.6167.3177.773.1000109.1Y1283 N1321Y1283-L1319 HydrophobicContact CD1-CB 4.32Å; Y1283-L1319 HydrophobicContact CD1-CD1 3.94Å; Y1283-L1319 HydrophobicContact CD2-CD1 4.44Å; Y1283-L1319 HydrophobicContact CE1-CB 4.34Å; Y1283-L1319 HydrophobicContact CE1-CD1 3.62Å; Y1283-L1319 HydrophobicContact CE1-CG 4.5Å; Y1283-L1319 HydrophobicContact CE2-CD1 4.14Å; Y1283-L1319 HydrophobicContact CG-CD1 4.36Å; L1319-N1321 HydrophobicContact CD2-CB 4Å; L1319-N1321 HydrophobicContact CG-CB 4.07Å; L1319-N1321 PolarHBondContact O-N 2.97Å
1320L65.9Low51.8Low7 Ų781.5 Ų81.54%0.03745%0.452CS..  trans-90.380.3177-67.4169.8000109.5L1282 V1284 L1387 W1399 L1401 K1404L1282-L1320 HydrophobicContact CB-CB 4.34Å; L1282-L1320 HydrophobicContact CD2-CB 4.08Å; L1282-L1320 HydrophobicContact CD2-CD1 3.71Å; L1282-L1320 HydrophobicContact CG-CB 4.36Å; L1282-L1320 HydrophobicContact CG-CD1 4.09Å; L1282-L1320 PolarHBondContact O-N 2.73Å; V1284-L1320 HydrophobicContact CG2-CD1 3.97Å; L1320-L1387 HydrophobicContact CD1-CD2 3.79Å; L1320-W1399 HydrophobicContact CB-CD2 4.49Å; L1320-W1399 HydrophobicContact CB-CE3 3.89Å; L1320-W1399 HydrophobicContact CB-CH2 4.35Å; L1320-W1399 HydrophobicContact CB-CZ3 3.81Å; L1320-W1399 HydrophobicContact CD1-CB 4.34Å; L1320-W1399 HydrophobicContact CD1-CD2 4.27Å; L1320-W1399 HydrophobicContact CD1-CE3 4.27Å; L1320-W1399 HydrophobicContact CD1-CG 4.33Å; L1320-W1399 HydrophobicContact CD2-CE3 4.18Å; L1320-W1399 HydrophobicContact CG-CE3 4.34Å; L1320-L1401 HydrophobicContact CD1-CD2 3.7Å; L1320-L1401 HydrophobicContact CD2-CD2 4.16Å; L1320-L1401 HydrophobicContact CG-CD2 4.48Å; L1320-K1404 HydrophobicContact CD2-CB 3.98Å; L1320-K1404 HydrophobicContact CD2-CG 4.31Å
1321N58.2Low50.4Low122 Ų12289 Ų8965%0.65249%0.487SS*.  trans-102.2126.4-175.2-153.60.9000111.7L1319 G1323L1319-N1321 HydrophobicContact CD2-CB 4Å; L1319-N1321 HydrophobicContact CG-CB 4.07Å; L1319-N1321 PolarHBondContact O-N 2.97Å; N1321-G1323 PolarHBondContact O-N 2.83Å; N1321-G1323 VanDerWaalsContact O-N 3.17Å
1322N48.1Very low48.7Very low103 Ų10394.8 Ų94.855%0.55151%0.514SS*.  trans-71.9109.6-173.9-87.7-34.4000112.8I1406N1322-I1406 WeakPolarHBondContact OD1-CD1 3.19Å
1323G33.4Very low46.7Very low66 Ų66102.7 Ų102.768%0.6855%0.548SS*.PPolyproline II helixtrans-83.9121174.200000113.3N1321N1321-G1323 PolarHBondContact O-N 2.83Å; N1321-G1323 VanDerWaalsContact O-N 3.17Å
1324F25.7Very low45.1Very low215 Ų215101.7 Ų101.794%0.94357%0.566SS**SBend-92.7123.3124-98.9-93.3000106.5
1325G24.5Very low43Very low75 Ų75103 Ų10377%0.77359%0.587SS**PPolyproline II helixtrans-73.4149.3-150.100000117.1
1326I26.1Very low41Very low159 Ų159104 Ų10482%0.81560%0.599SS**  trans-128.7161.8162.5-68.4177.5000107.5
1327S27Very low39Very low63 Ų63107.1 Ų107.144%0.44162%0.624SS.*  trans-50.3158.8-164.146.40000118.5E1329S1327-E1329 WeakPolarHBondContact CB-OE2 3.34Å; S1327-E1329 PolarHBondContact O-N 2.7Å; S1327-E1329 PolarHBondContact OG-OE2 3.1Å
1328S27.1Very low36.8Very low105 Ų105112 Ų11273%0.73465%0.65SS**THydrogen-bonded Turntrans-7120.6179.752.70000115.6
1329E31.7Very low34.7Very low142 Ų142118 Ų11866%0.66469%0.686SS**THydrogen-bonded Turntrans-90.2-14.2-170.2-67.9165.412300113.5S1327S1327-E1329 WeakPolarHBondContact CB-OE2 3.34Å; S1327-E1329 PolarHBondContact O-N 2.7Å; S1327-E1329 PolarHBondContact OG-OE2 3.1Å
1330I33.6Very low32.5Very low136 Ų136121 Ų12170%0.69771%0.713SS**G310 helixtrans-85.3-15.5-175.5-62.6177000112.6Q1332 F1333I1330-Q1332 PolarHBondContact O-N 2.9Å; I1330-Q1332 VanDerWaalsContact O-N 3.09Å; I1330-F1333 PolarHBondContact O-N 3.13Å
1331Q32.4Very low30.5Very low175 Ų175123.7 Ų123.782%0.81874%0.743SS**G310 helixtrans-67.4-9.8-174.6-82.9-175.5-38.900115.7
1332Q30.3Very low28.9Very low173 Ų173128 Ų12881%0.80876%0.755SS**G310 helixtrans-94.1-16.5179.8-73.4-176-30.300115I1330I1330-Q1332 PolarHBondContact O-N 2.9Å; I1330-Q1332 VanDerWaalsContact O-N 3.09Å
1333F28.4Very low27.9Very low174 Ų174130 Ų13076%0.76377%0.771SS**G310 helixtrans-84.4-14.2-172.2-85.9-82.6000115.5I1330 A1335I1330-F1333 PolarHBondContact O-N 3.13Å; F1333-A1335 VanDerWaalsContact C-N 3.29Å; F1333-A1335 PolarHBondContact O-N 2.92Å
1334A31.3Very low27.6Very low102 Ų102135.4 Ų135.484%0.84378%0.779SS**G310 helixtrans-81.2-0.9-176.800000114.9
1335A27.7Very low27.5Very low94 Ų94133.2 Ų133.278%0.77778%0.777SS**G310 helixtrans-100.67.1-170.100000115.2F1333F1333-A1335 VanDerWaalsContact C-N 3.29Å; F1333-A1335 PolarHBondContact O-N 2.92Å
1336S25.8Very low27.5Very low89 Ų89139.1 Ų139.162%0.62278%0.781SS**SBendtrans-154.9167.2-179.268.10000113.5
1337S27.1Very low27.4Very low101 Ų101141.5 Ų141.571%0.70679%0.786SS**  trans64.370.3177.663.10000117T1339S1337-T1339 PolarHBondContact O-N 2.73Å; S1337-T1339 VanDerWaalsContact O-N 3.12Å
1338L24.8Very low27.3Very low180 Ų180145.7 Ų145.794%0.94280%0.801SS**  trans-6594.7144.1-146.489000108.3
1339T27.9Very low27.3Very low127 Ų127145.5 Ų145.578%0.77980%0.8SS**SBendtrans-177.1144.7158.424.60000113.1S1337 G1341S1337-T1339 PolarHBondContact O-N 2.73Å; S1337-T1339 VanDerWaalsContact O-N 3.12Å; T1339-G1341 PolarHBondContact O-N 2.72Å
1340S25Very low27.1Very low132 Ų132143.8 Ų143.892%0.92380%0.804SS**  trans-9.9108.5160.5-172.40000117.7
1341G24.9Very low26.8Very low64 Ų64147.4 Ų147.466%0.6681%0.81SS**  trans-158.3125.1173.300000113.6T1339 V1343T1339-G1341 PolarHBondContact O-N 2.72Å; G1341-V1343 PolarHBondContact O-N 2.7Å
1342K23.5Very low26.9Very low212 Ų212145.9 Ų145.992%0.92281%0.808SS**  trans-79.3106.5176.3-70.8176.9179.1173.30110.8
1343V27.5Very low27.6Very low145 Ų145146.1 Ų146.188%0.87980%0.801SS**PPolyproline II helixtrans-84.7124.7169.4-177.70000109.7G1341G1341-V1343 PolarHBondContact O-N 2.7Å
1344Q27Very low28.7Very low181 Ų181141.3 Ų141.385%0.84678%0.783SS**PPolyproline II helixtrans-81.9147.3-178.4-73.8-174.3-18.500113.2K1346Q1344-K1346 PolarHBondContact O-N 2.92Å
1345N24.4Very low30.1Very low168 Ų168137 Ų13790%0.89875%0.748SS**PPolyproline II helixtrans-57.7125.8178.7-73.9-50.9000113.3
1346K23.6Very low32.2Very low199 Ų199132.8 Ų132.887%0.86571%0.713SS**  trans-119.3108.2161.2-153.6169.9-172.1175.80109Q1344 I1348Q1344-K1346 PolarHBondContact O-N 2.92Å; K1346-I1348 PolarHBondContact O-N 3.02Å
1347K24.4Very low34.3Very low210 Ų210130.4 Ų130.491%0.91369%0.693SS**  trans-63.2107.4-176.5-73.4-178.2175.7179.60110.8
1348I26Very low36.6Very low150 Ų150126.2 Ų126.277%0.76966%0.663SS**PPolyproline II helixtrans-83127.1162.3-64176.5000107.4K1346 S1350K1346-I1348 PolarHBondContact O-N 3.02Å; I1348-S1350 PolarHBondContact O-N 3.05Å
1349S26.7Very low39.3Very low102 Ų102117.8 Ų117.871%0.71362%0.619SS**PPolyproline II helixtrans-69.4126.6-171.550.70000112.6Y1351S1349-Y1351 PolarHBondContact O-N 2.87Å
1350S26.2Very low41.9Very low106 Ų106114.6 Ų114.674%0.74159%0.592SS**PPolyproline II helixtrans-54120.3178.3510000114.6I1348I1348-S1350 PolarHBondContact O-N 3.05Å
1351Y27.9Very low44.7Very low212 Ų212108.7 Ų108.783%0.83155%0.55SS**SBendtrans-135.2121.6142.5-83.7-78.3000108.2S1349 R1353S1349-Y1351 PolarHBondContact O-N 2.87Å; Y1351-R1353 PolarHBondContact O-N 2.9Å
1352N33.8Very low47.4Very low143 Ų143106.3 Ų106.377%0.76552%0.522SS*.  trans26.979.3171.1-62.513.7000117.1L1354N1352-L1354 HydrophobicContact CB-CD1 3.99Å
1353R45Very low49.8Very low178 Ų17897.9 Ų97.967%0.67249%0.486SS*.  trans-82128.5153.1-63.7-170.9-174.4-172.30.2108.6S1279 Y1351S1279-R1353 VanDerWaalsContact O-CD 3.24Å; S1279-R1353 WeakPolarHBondContact O-CD 3.01Å; S1279-R1353 PolarHBondContact O-NH1 3.46Å; S1279-R1353 VanDerWaalsContact O-NH1 3.15Å; Y1351-R1353 PolarHBondContact O-N 2.9Å
1354L52.4Low51.9Low73 Ų7395.4 Ų95.438%0.38246%0.461SS..  trans-122.5129.7172.8-72.4116.6000107.1N1352 M1392 D1393N1352-L1354 HydrophobicContact CB-CD1 3.99Å; L1354-M1392 HydrophobicContact CB-CB 4.06Å; L1354-M1392 HydrophobicContact CD2-CB 3.84Å; L1354-D1393 HydrophobicContact CD1-CB 4.23Å; L1354-D1393 HydrophobicContact CD2-CB 4.09Å
1355G61.2Low53.6Low10 Ų1094.5 Ų94.510%0.10345%0.45CS..  trans-77167.8177.600000111.9M1392G1355-M1392 WeakPolarHBondContact O-CB 3.02Å; G1355-M1392 WeakPolarHBondContact O-CG 3.46Å; G1355-M1392 PolarHBondContact O-N 2.87Å
1356S70.8Confident55.1Low7 Ų792 Ų925%0.04944%0.437CS..EExtended strand (participates in β ladder)trans-99.9132.2172.516.10000112L1264 S1276 Y1390 D1391L1264-S1356 WeakPolarHBondContact CB-O 3.26Å; S1276-S1356 WeakPolarHBondContact CB-OG 3.11Å; S1276-S1356 PolarHBondContact OG-N 2.72Å; S1276-S1356 PolarHBondContact OG-O 2.9Å; S1276-S1356 PolarHBondContact OG-OG 3.12Å; S1356-Y1390 CarbonylContact C-O 3.53Å; S1356-Y1390 WeakPolarHBondContact CA-O 3.39Å; S1356-Y1390 WeakPolarHBondContact CB-O 3.41Å; S1356-D1391 WeakPolarHBondContact CB-OD1 3.46Å
1357I70.3Confident56Low38 Ų3889.7 Ų89.720%0.19542%0.422CS..EExtended strand (participates in β ladder)trans-86.3-31.9-177.1-40.7177.2000111.1C1265 Y1390 M1392 L1422C1265-I1357 WeakPolarHBondContact CB-O 3.48Å; I1357-Y1390 HydrophobicContact CD1-CD1 4.2Å; I1357-Y1390 HydrophobicContact CD1-CE1 4.43Å; I1357-Y1390 PolarHBondContact N-O 3.13Å; I1357-M1392 HydrophobicContact CD1-CG 4.13Å; I1357-M1392 HydrophobicContact CD1-SD 3.45Å; I1357-M1392 WeakPolarHBondContact CD1-SD 3.45Å; I1357-M1392 HydrophobicContact CG1-CG 3.77Å; I1357-M1392 HydrophobicContact CG1-SD 3.54Å; I1357-M1392 VanDerWaalsContact CG1-SD 3.54Å; I1357-L1422 HydrophobicContact CB-CD1 4.13Å; I1357-L1422 HydrophobicContact CD1-CD1 4.07Å; I1357-L1422 HydrophobicContact CG2-CD1 3.92Å
1358N76Confident57Low13 Ų1388.6 Ų88.67%0.0741%0.414CS..EExtended strand (participates in β ladder)trans-140147-174-151.4-73.5000111.4C1265 T1389 Y1390 S1420 L1422 L1423C1265-N1358 VanDerWaalsContact SG-CA 3.6Å; N1358-T1389 CarbonylContact O-C 3.58Å; N1358-T1389 WeakPolarHBondContact O-CA 3.48Å; N1358-Y1390 PolarHBondContact O-N 2.79Å; N1358-S1420 PolarHBondContact ND2-O 3.15Å; N1358-L1422 HydrophobicContact CB-CB 4.22Å; N1358-L1423 HydrophobicContact CB-CD1 4.21Å; N1358-L1423 HydrophobicContact CB-CG 4.24Å
1359L80.3Confident57.6Low3 Ų387 Ų872%0.01642%0.416CS..EExtended strand (participates in β ladder)trans-139.7136.3-176.7-58177.3000109.9C1265 N1267 L1282 L1387 V1388 T1389C1265-L1359 HydrophobicContact CB-CD1 4.01Å; C1265-L1359 HydrophobicContact CB-CG 3.84Å; C1265-L1359 PolarHBondContact SG-N 3.48Å; N1267-L1359 HydrophobicContact CB-CB 4.02Å; N1267-L1359 WeakPolarHBondContact CB-O 3.23Å; L1282-L1359 HydrophobicContact CD1-CD1 4.41Å; L1282-L1359 HydrophobicContact CD1-CD2 3.65Å; L1359-L1387 HydrophobicContact CB-CD1 4.27Å; L1359-L1387 HydrophobicContact CD2-CD1 4.36Å; L1359-V1388 CarbonylContact C-O 3.53Å; L1359-V1388 WeakPolarHBondContact CA-O 3.27Å; L1359-T1389 HydrophobicContact CD2-CG2 3.3Å
1360R83.3Confident57.9Low60 Ų6087.6 Ų87.623%0.22641%0.411CS..EExtended strand (participates in β ladder)trans-133132.8160.7-76.9-155.7-176-138.3-4.2111.5F1362 V1388 L1423 S1425 D1493R1360-F1362 HydrophobicContact CB-CE2 3.73Å; R1360-F1362 HydrophobicContact CB-CZ 4.09Å; R1360-V1388 PolarHBondContact N-O 3.07Å; R1360-V1388 PolarHBondContact O-N 3.08Å; R1360-L1423 PolarHBondContact NE-O 3.23Å; R1360-S1425 WeakPolarHBondContact CD-OG 3.25Å; R1360-S1425 PolarHBondContact NH1-OG 2.92Å; R1360-D1493 IonicContact NH2-OD2 3.32Å
1361L83Confident58.2Low8 Ų890.1 Ų90.14%0.04241%0.409CS..EExtended strand (participates in β ladder)trans-95.6128.4171.2-80.4170000111.1N1267 N1269 A1272 R1386 L1387 L1401N1267-L1361 WeakPolarHBondContact O-CD1 3.22Å; N1267-L1361 PolarHBondContact OD1-N 3.03Å; N1269-L1361 HydrophobicContact CB-CB 3.71Å; N1269-L1361 HydrophobicContact CB-CD1 4.4Å; N1269-L1361 PolarHBondContact ND2-O 2.83Å; A1272-L1361 HydrophobicContact CB-CD1 3.88Å; A1272-L1361 WeakPolarHBondContact O-CD1 3.18Å; L1361-R1386 WeakPolarHBondContact CA-O 3.31Å; L1361-L1387 HydrophobicContact CD2-CB 3.86Å; L1361-L1387 HydrophobicContact CD2-CD1 3.89Å; L1361-L1387 HydrophobicContact CD2-CG 4.41Å; L1361-L1387 HydrophobicContact CG-CD1 3.99Å; L1361-L1401 HydrophobicContact CD2-CD1 3.88Å
1362F81.5Confident58.4Low15 Ų1585.7 Ų85.77%0.06640%0.404CS..EExtended strand (participates in β ladder)trans-111.7135.3177.4-64.8-91.8000110.6R1360 Y1385 R1386 V1388 G1428 V1430 P1443 W1444R1360-F1362 HydrophobicContact CB-CE2 3.73Å; R1360-F1362 HydrophobicContact CB-CZ 4.09Å; F1362-Y1385 CarbonylContact O-C 3.52Å; F1362-Y1385 VanDerWaalsContact O-CA 3.29Å; F1362-Y1385 WeakPolarHBondContact O-CA 3.46Å; F1362-R1386 PolarHBondContact N-O 2.57Å; F1362-R1386 PolarHBondContact O-N 2.86Å; F1362-V1388 HydrophobicContact CD2-CG2 3.88Å; F1362-V1388 HydrophobicContact CE2-CB 4.18Å; F1362-V1388 HydrophobicContact CE2-CG2 3.69Å; F1362-G1428 WeakPolarHBondContact CE1-O 3.49Å; F1362-V1430 HydrophobicContact CE2-CG2 3.68Å; F1362-V1430 HydrophobicContact CZ-CG2 3.56Å; F1362-P1443 HydrophobicContact CB-CG 4.16Å; F1362-P1443 HydrophobicContact CD1-CG 3.79Å; F1362-P1443 HydrophobicContact CD2-CB 4.05Å; F1362-P1443 HydrophobicContact CD2-CG 4.04Å; F1362-P1443 HydrophobicContact CE1-CG 4.17Å; F1362-P1443 HydrophobicContact CE2-CB 4.46Å; F1362-P1443 HydrophobicContact CE2-CG 4.4Å; F1362-P1443 HydrophobicContact CG-CB 4.16Å; F1362-P1443 HydrophobicContact CG-CG 3.71Å; F1362-P1443 HydrophobicContact CZ-CG 4.46Å; F1362-W1444 HydrophobicContact CB-CZ2 4.33Å
1363M75.5Confident58.3Low35 Ų3588.4 Ų88.417%0.17241%0.412CS..EExtended strand (participates in β ladder)trans-102.9142.2174.1-177-178.2-61.300111.2R1270 R1365 N1384 Y1385 W1444R1270-M1363 HydrophobicContact CB-CE 4.21Å; R1270-M1363 HydrophobicContact CG-CE 3.8Å; M1363-R1365 PolarHBondContact O-N 3.11Å; M1363-N1384 WeakPolarHBondContact CA-O 3.29Å; M1363-Y1385 HydrophobicContact CB-CD1 4.39Å; M1363-Y1385 HydrophobicContact CB-CE1 4.38Å; M1363-Y1385 HydrophobicContact CE-CD1 4.5Å; M1363-Y1385 HydrophobicContact CE-CE1 3.52Å; M1363-Y1385 WeakPolarHBondContact CE-OH 3.42Å; M1363-W1444 VanDerWaalsContact C-CZ2 3.48Å
1364R71.2Confident57.7Low92 Ų9288.9 Ų88.935%0.34742%0.419SS..  trans-79.9113.3175.6-166170.8-175.5161.54.7111.3D1366 N1384 W1444R1364-D1366 IonicContact CZ-OD2 2.74Å; R1364-D1366 IonicContact NE-OD2 2.84Å; R1364-D1366 PolarHBondContact NE-OD2 2.84Å; R1364-D1366 IonicContact NH2-OD2 3.4Å; R1364-D1366 PolarHBondContact NH2-OD2 2.81Å; R1364-D1366 VanDerWaalsContact NH2-OD2 3.13Å; R1364-N1384 PolarHBondContact N-O 2.84Å; R1364-W1444 HydrophobicContact CB-CE3 4.43Å; R1364-W1444 HydrophobicContact CB-CH2 3.66Å; R1364-W1444 HydrophobicContact CB-CZ2 3.72Å; R1364-W1444 HydrophobicContact CB-CZ3 4.01Å; R1364-W1444 HydrophobicContact CG-CD2 4.46Å; R1364-W1444 HydrophobicContact CG-CE3 4.42Å; R1364-W1444 HydrophobicContact CG-CH2 4.49Å; R1364-W1444 HydrophobicContact CG-CZ3 4.42Å; R1364-W1444 VanDerWaalsContact N-CZ2 3.29Å
1365R62.8Low56.7Low162 Ų16289.5 Ų89.561%0.61143%0.43SS*.G310 helixtrans-72.3-35.2-178.1-66.1178.5176.9165.2-2.6112.8M1363 R1367M1363-R1365 PolarHBondContact O-N 3.11Å; R1365-R1367 VanDerWaalsContact C-N 3.26Å; R1365-R1367 PolarHBondContact O-N 2.76Å
1366D54.6Low55.2Low116 Ų11694.6 Ų94.662%0.6246%0.462SS*.G310 helixtrans-64.7-11.7-165.2-15.6-40.1000117R1364R1364-D1366 IonicContact CZ-OD2 2.74Å; R1364-D1366 IonicContact NE-OD2 2.84Å; R1364-D1366 PolarHBondContact NE-OD2 2.84Å; R1364-D1366 IonicContact NH2-OD2 3.4Å; R1364-D1366 PolarHBondContact NH2-OD2 2.81Å; R1364-D1366 VanDerWaalsContact NH2-OD2 3.13Å
1367R43.3Very low53.5Low150 Ų15099.6 Ų99.657%0.56649%0.488SS*.G310 helixtrans-97.6-3.9-171.7-81.7-169.5173.5175.1-2.1115.7R1365 S1369R1365-R1367 VanDerWaalsContact C-N 3.26Å; R1365-R1367 PolarHBondContact O-N 2.76Å; R1367-S1369 VanDerWaalsContact C-N 3.29Å; R1367-S1369 PolarHBondContact O-N 3.18Å
1368Y44.8Very low52.4Low188 Ų188100.3 Ų100.374%0.73750%0.497SS*.THydrogen-bonded Turntrans-82.76.2-167.4-123-86.2000116
1369S38.2Very low50.9Low116 Ų116105.8 Ų105.881%0.81153%0.525SS*.THydrogen-bonded Turntrans-103.3-4.6-168.4-166.30000116R1367R1367-S1369 VanDerWaalsContact C-N 3.29Å; R1367-S1369 PolarHBondContact O-N 3.18Å
1370D33.6Very low49.6Very low114 Ų114108.9 Ų108.961%0.6155%0.547SS*.SBendtrans-146.9130.7-170-146.9-7.4000115.1
1371K31.9Very low48.5Very low160 Ų160107.4 Ų107.470%0.69655%0.545SS*.  trans58.495.3164.6-71.5140.4-165.3141.20120.6
1372T32.7Very low47.8Very low118 Ų118107.2 Ų107.272%0.72454%0.544SS*.  58.9107.4128.152.60000120.8K1374T1372-K1374 PolarHBondContact O-N 3.14Å
1373Q31.8Very low47.2Very low200 Ų200107.4 Ų107.494%0.93555%0.548SS*.  trans-390142.4-64.8170.4-33.300116.8
1374K32.1Very low47.1Very low188 Ų188108.3 Ų108.382%0.81755%0.554SS**  trans-138.8122154.6-73.9-167.5175.8-1800110T1372T1372-K1374 PolarHBondContact O-N 3.14Å
1375S32.5Very low47.4Very low87 Ų87105.3 Ų105.361%0.60854%0.542SS*.  trans26.4110.6163.855.80000117.4N1377S1375-N1377 PolarHBondContact O-N 2.8Å
1376C29.4Very low48.4Very low116 Ų11699.3 Ų99.378%0.78452%0.52SS*.  trans-67.875.1163.3-750000111.2S1378C1376-S1378 PolarHBondContact O-N 2.93Å; C1376-S1378 VanDerWaalsContact O-N 3.12Å
1377N34.3Very low49.9Very low112 Ų11293.8 Ų93.860%0.59949%0.49SS*.  trans-62.5111.2161.9-67.3-7.5000106.4S1375 L1379 S1380S1375-N1377 PolarHBondContact O-N 2.8Å; N1377-L1379 PolarHBondContact O-N 3.44Å; N1377-S1380 PolarHBondContact O-N 3.09Å; N1377-S1380 PolarHBondContact O-OG 2.71Å; N1377-S1380 VanDerWaalsContact O-OG 3.08Å
1378S46.6Very low51.9Low53 Ų5386.6 Ų86.637%0.37146%0.463SS..G310 helixtrans-41.1-43.3-165.451.40000114.6C1376 S1380 T1381C1376-S1378 PolarHBondContact O-N 2.93Å; C1376-S1378 VanDerWaalsContact O-N 3.12Å; S1378-S1380 PolarHBondContact O-N 2.88Å; S1378-S1380 VanDerWaalsContact O-N 3.14Å; S1378-T1381 PolarHBondContact O-N 3.02Å; S1378-T1381 PolarHBondContact O-OG1 2.77Å
1379L44.4Very low53.8Low129 Ų12977.7 Ų77.768%0.67543%0.428SS*.G310 helixtrans-56.2-24.9-179.6-141.776.7000115.6N1377N1377-L1379 PolarHBondContact O-N 3.44Å
1380S54Low55.7Low67 Ų6772.6 Ų72.647%0.46939%0.391SS..G310 helixtrans-81.1-21.5-17969.70000113.7N1377 S1378 A1383N1377-S1380 PolarHBondContact O-N 3.09Å; N1377-S1380 PolarHBondContact O-OG 2.71Å; N1377-S1380 VanDerWaalsContact O-OG 3.08Å; S1378-S1380 PolarHBondContact O-N 2.88Å; S1378-S1380 VanDerWaalsContact O-N 3.14Å; S1380-A1383 WeakPolarHBondContact O-CB 3.46Å; S1380-A1383 PolarHBondContact O-N 3.28Å
1381T61.1Low57.7Low30 Ų3068.4 Ų68.418%0.18437%0.369CS..G310 helixtrans-68.8-39.3-174.362.40000112.5S1378 A1383 N1384 Y1385S1378-T1381 PolarHBondContact O-N 3.02Å; S1378-T1381 PolarHBondContact O-OG1 2.77Å; T1381-A1383 PolarHBondContact O-N 2.89Å; T1381-N1384 PolarHBondContact O-N 3.04Å; T1381-Y1385 WeakPolarHBondContact O-CD2 3.37Å
1382L67.1Low59.4Low3 Ų365.1 Ų65.12%0.01636%0.357CS..G310 helixtrans-61.4-26.7179.5-67.7168.5000113.1C1286 D1316 N1384 Y1385 L1401C1286-L1382 VanDerWaalsContact SG-CD2 3.55Å; D1316-L1382 WeakPolarHBondContact OD2-CD1 3.42Å; L1382-N1384 PolarHBondContact O-N 3.28Å; L1382-N1384 VanDerWaalsContact O-N 3.14Å; L1382-Y1385 PolarHBondContact O-N 3.29Å; L1382-Y1385 VanDerWaalsContact O-N 3.13Å; L1382-L1401 HydrophobicContact CB-CB 4.2Å; L1382-L1401 HydrophobicContact CD2-CB 4.21Å
1383A69.2Low61Low19 Ų1963 Ų6316%0.15734%0.341CS..G310 helixtrans-66.2-13-179.800000114.7S1380 T1381 Q1402S1380-A1383 WeakPolarHBondContact O-CB 3.46Å; S1380-A1383 PolarHBondContact O-N 3.28Å; T1381-A1383 PolarHBondContact O-N 2.89Å; A1383-Q1402 HydrophobicContact CB-CB 4.18Å; A1383-Q1402 HydrophobicContact CB-CG 4.14Å
1384N74.1Confident62.7Low54 Ų5453.5 Ų53.529%0.28930%0.297SS..G310 helixtrans-94.1-3177.2-65.9-28.4000113.3M1363 R1364 T1381 L1382M1363-N1384 WeakPolarHBondContact CA-O 3.29Å; R1364-N1384 PolarHBondContact N-O 2.84Å; T1381-N1384 PolarHBondContact O-N 3.04Å; L1382-N1384 PolarHBondContact O-N 3.28Å; L1382-N1384 VanDerWaalsContact O-N 3.14Å
1385Y77.3Confident64.6Low29 Ų2944.9 Ų44.911%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-123.1148.6-175.1-64.7-88.4000112.7A1272 F1362 M1363 T1381 L1382A1272-Y1385 HydrophobicContact CB-CD1 3.99Å; A1272-Y1385 HydrophobicContact CB-CD2 4.42Å; A1272-Y1385 HydrophobicContact CB-CE1 3.77Å; A1272-Y1385 HydrophobicContact CB-CE2 4.24Å; A1272-Y1385 HydrophobicContact CB-CG 4.3Å; F1362-Y1385 CarbonylContact O-C 3.52Å; F1362-Y1385 VanDerWaalsContact O-CA 3.29Å; F1362-Y1385 WeakPolarHBondContact O-CA 3.46Å; M1363-Y1385 HydrophobicContact CB-CD1 4.39Å; M1363-Y1385 HydrophobicContact CB-CE1 4.38Å; M1363-Y1385 HydrophobicContact CE-CD1 4.5Å; M1363-Y1385 HydrophobicContact CE-CE1 3.52Å; M1363-Y1385 WeakPolarHBondContact CE-OH 3.42Å; T1381-Y1385 WeakPolarHBondContact O-CD2 3.37Å; L1382-Y1385 PolarHBondContact O-N 3.29Å; L1382-Y1385 VanDerWaalsContact O-N 3.13Å
1386R84.1Confident66.8Low36 Ų3640.8 Ų40.814%0.13623%0.232CC..EExtended strand (participates in β ladder)trans-131.2144164.8-78.4-173.4172.41801.6110.9L1361 F1362 D1400 I1407 P1443 W1444L1361-R1386 WeakPolarHBondContact CA-O 3.31Å; F1362-R1386 PolarHBondContact N-O 2.57Å; F1362-R1386 PolarHBondContact O-N 2.86Å; R1386-D1400 IonicContact CZ-OD2 3.91Å; R1386-D1400 IonicContact NE-OD2 3.45Å; R1386-D1400 PolarHBondContact NE-OD2 3.36Å; R1386-D1400 IonicContact NH2-OD2 3.47Å; R1386-D1400 PolarHBondContact NH2-OD2 3.42Å; R1386-I1407 VanDerWaalsContact NE-CD1 3.3Å; R1386-P1443 WeakPolarHBondContact CD-O 3.45Å; R1386-P1443 PolarHBondContact NH1-O 3.46Å; R1386-W1444 HydrophobicContact CB-CH2 4.13Å; R1386-W1444 HydrophobicContact CB-CZ2 4.4Å; R1386-W1444 HydrophobicContact CB-CZ3 4.46Å; R1386-W1444 HydrophobicContact CG-CE3 4.25Å; R1386-W1444 HydrophobicContact CG-CH2 3.79Å; R1386-W1444 HydrophobicContact CG-CZ2 4.47Å; R1386-W1444 HydrophobicContact CG-CZ3 3.69Å; R1386-W1444 VanDerWaalsContact NH1-C 3.31Å; R1386-W1444 PolarHBondContact NH1-O 2.89Å
1387L85.4Confident69.3Low0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-110.1136.7178.7176.163.4000109.5L1282 V1284 L1320 L1359 L1361 T1389 W1399 L1401L1282-L1387 HydrophobicContact CD1-CD2 4.1Å; L1282-L1387 HydrophobicContact CD2-CD2 3.85Å; L1282-L1387 HydrophobicContact CG-CD2 4.08Å; V1284-L1387 HydrophobicContact CG2-CD2 3.64Å; L1320-L1387 HydrophobicContact CD1-CD2 3.79Å; L1359-L1387 HydrophobicContact CB-CD1 4.27Å; L1359-L1387 HydrophobicContact CD2-CD1 4.36Å; L1361-L1387 HydrophobicContact CD2-CB 3.86Å; L1361-L1387 HydrophobicContact CD2-CD1 3.89Å; L1361-L1387 HydrophobicContact CD2-CG 4.41Å; L1361-L1387 HydrophobicContact CG-CD1 3.99Å; L1387-T1389 HydrophobicContact CD1-CG2 4.47Å; L1387-T1389 HydrophobicContact CD2-CG2 4.17Å; L1387-T1389 HydrophobicContact CG-CG2 3.97Å; L1387-W1399 HydrophobicContact CB-CB 4.31Å; L1387-W1399 PolarHBondContact N-O 3.44Å; L1387-W1399 PolarHBondContact O-N 2.98Å; L1387-L1401 HydrophobicContact CB-CD1 4.24Å; L1387-L1401 HydrophobicContact CB-CD2 4.03Å; L1387-L1401 HydrophobicContact CB-CG 4.38Å
1388V86Confident71.8Confident0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-121.1128.3173.9-173.20000108.9L1359 R1360 F1362 V1396 V1397 I1398 L1423 V1430 P1443L1359-V1388 CarbonylContact C-O 3.53Å; L1359-V1388 WeakPolarHBondContact CA-O 3.27Å; R1360-V1388 PolarHBondContact N-O 3.07Å; R1360-V1388 PolarHBondContact O-N 3.08Å; F1362-V1388 HydrophobicContact CD2-CG2 3.88Å; F1362-V1388 HydrophobicContact CE2-CB 4.18Å; F1362-V1388 HydrophobicContact CE2-CG2 3.69Å; V1388-V1396 HydrophobicContact CG1-CG1 3.79Å; V1388-V1397 CarbonylContact C-O 3.54Å; V1388-V1397 VanDerWaalsContact CA-O 3.31Å; V1388-V1397 WeakPolarHBondContact CA-O 3.4Å; V1388-I1398 HydrophobicContact CG1-CG1 4.26Å; V1388-I1398 HydrophobicContact CG2-CG1 4.1Å; V1388-I1398 HydrophobicContact CG2-CG2 4.4Å; V1388-L1423 HydrophobicContact CG1-CD1 4.2Å; V1388-V1430 HydrophobicContact CB-CG2 4.33Å; V1388-V1430 HydrophobicContact CG1-CG1 4.3Å; V1388-V1430 HydrophobicContact CG1-CG2 4.12Å; V1388-V1430 HydrophobicContact CG2-CG2 3.94Å; V1388-P1443 HydrophobicContact CG2-CB 4.19Å
1389T84.4Confident73.6Confident0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-119.2148.8-177.271.10000111.3L1282 N1358 L1359 L1387 D1391 V1396 V1397 W1399L1282-T1389 HydrophobicContact CD1-CG2 3.97Å; L1282-T1389 HydrophobicContact CD2-CG2 3.65Å; L1282-T1389 HydrophobicContact CG-CG2 4.48Å; N1358-T1389 CarbonylContact O-C 3.58Å; N1358-T1389 WeakPolarHBondContact O-CA 3.48Å; L1359-T1389 HydrophobicContact CD2-CG2 3.3Å; L1387-T1389 HydrophobicContact CD1-CG2 4.47Å; L1387-T1389 HydrophobicContact CD2-CG2 4.17Å; L1387-T1389 HydrophobicContact CG-CG2 3.97Å; T1389-D1391 WeakPolarHBondContact CB-OD1 3.34Å; T1389-D1391 PolarHBondContact OG1-OD1 2.91Å; T1389-V1396 CarbonylContact O-C 3.59Å; T1389-V1396 WeakPolarHBondContact O-CA 3.21Å; T1389-V1397 PolarHBondContact N-O 3.14Å; T1389-V1397 PolarHBondContact O-N 3.2Å; T1389-W1399 PolarHBondContact OG1-NE1 2.8Å
1390Y79Confident75.4Confident10 Ų1022.9 Ų22.94%0.03912%0.124CC..EExtended strand (participates in β ladder)trans-109.3109.1167.5-166.2-73.5000108.1S1356 I1357 N1358 V1396 L1414 L1422 L1423S1356-Y1390 CarbonylContact C-O 3.53Å; S1356-Y1390 WeakPolarHBondContact CA-O 3.39Å; S1356-Y1390 WeakPolarHBondContact CB-O 3.41Å; I1357-Y1390 HydrophobicContact CD1-CD1 4.2Å; I1357-Y1390 HydrophobicContact CD1-CE1 4.43Å; I1357-Y1390 PolarHBondContact N-O 3.13Å; N1358-Y1390 PolarHBondContact O-N 2.79Å; Y1390-V1396 HydrophobicContact CD2-CG2 3.64Å; Y1390-V1396 HydrophobicContact CE2-CG2 3.92Å; Y1390-L1414 WeakPolarHBondContact OH-CB 3.48Å; Y1390-L1414 PolarHBondContact OH-O 3.03Å; Y1390-L1422 HydrophobicContact CD1-CD1 4.17Å; Y1390-L1422 HydrophobicContact CD2-CB 4.32Å; Y1390-L1422 HydrophobicContact CE1-CD1 4.35Å; Y1390-L1422 HydrophobicContact CG-CB 4.4Å; Y1390-L1423 HydrophobicContact CD2-CD2 4.2Å; Y1390-L1423 HydrophobicContact CD2-CG 4.44Å
1391D74.2Confident76.6Confident25 Ų2519.7 Ų19.713%0.13410%0.102CC..EExtended strand (participates in β ladder)trans-89.2149.4-174.3-67.113.6000110.5S1356 T1389 D1393 G1394 S1395S1356-D1391 WeakPolarHBondContact CB-OD1 3.46Å; T1389-D1391 WeakPolarHBondContact CB-OD1 3.34Å; T1389-D1391 PolarHBondContact OG1-OD1 2.91Å; D1391-D1393 PolarHBondContact O-N 3.46Å; D1391-G1394 PolarHBondContact O-N 3.01Å; D1391-S1395 PolarHBondContact N-O 3.38Å
1392M68.6Low77.3Confident92 Ų9223.1 Ų23.145%0.45312%0.116SC..THydrogen-bonded Turntrans-62-5.2-175.6-78.8-81.9-57.400114.8L1354 G1355 I1357 G1394L1354-M1392 HydrophobicContact CB-CB 4.06Å; L1354-M1392 HydrophobicContact CD2-CB 3.84Å; G1355-M1392 WeakPolarHBondContact O-CB 3.02Å; G1355-M1392 WeakPolarHBondContact O-CG 3.46Å; G1355-M1392 PolarHBondContact O-N 2.87Å; I1357-M1392 HydrophobicContact CD1-CG 4.13Å; I1357-M1392 HydrophobicContact CD1-SD 3.45Å; I1357-M1392 WeakPolarHBondContact CD1-SD 3.45Å; I1357-M1392 HydrophobicContact CG1-CG 3.77Å; I1357-M1392 HydrophobicContact CG1-SD 3.54Å; I1357-M1392 VanDerWaalsContact CG1-SD 3.54Å; M1392-G1394 VanDerWaalsContact C-N 3.3Å
1393D65.9Low77.6Confident73 Ų7329.1 Ų29.139%0.3914%0.144SC..THydrogen-bonded Turntrans-87.80.517178.5-32.2000113.4L1354 D1391 S1395L1354-D1393 HydrophobicContact CD1-CB 4.23Å; L1354-D1393 HydrophobicContact CD2-CB 4.09Å; D1391-D1393 PolarHBondContact O-N 3.46Å; D1393-S1395 WeakPolarHBondContact OD1-CB 3.47Å; D1393-S1395 PolarHBondContact OD1-N 2.88Å; D1393-S1395 PolarHBondContact OD1-OG 2.72Å
1394G67.4Low77.9Confident0 Ų031.8 Ų31.80%015%0.152CC..SBendtrans87.37.5-174.100000113.7D1391 M1392 A1412 L1414D1391-G1394 PolarHBondContact O-N 3.01Å; M1392-G1394 VanDerWaalsContact C-N 3.3Å; G1394-A1412 CarbonylContact C-O 3.59Å; G1394-A1412 WeakPolarHBondContact CA-O 3.29Å; G1394-A1412 CarbonylContact O-C 3.43Å; G1394-A1412 WeakPolarHBondContact O-CA 3.38Å; G1394-A1412 VanDerWaalsContact O-CB 3.27Å; G1394-A1412 WeakPolarHBondContact O-CB 3.18Å; G1394-A1412 PolarHBondContact O-N 2.81Å; G1394-L1414 VanDerWaalsContact CA-O 3.27Å; G1394-L1414 WeakPolarHBondContact CA-O 3.49Å
1395S71.8Confident77.9Confident8 Ų831.9 Ų31.96%0.05616%0.156CC..EExtended strand (participates in β ladder)trans-90.2135-178.5740000113.9D1391 D1393 S1409 F1410D1391-S1395 PolarHBondContact N-O 3.38Å; D1393-S1395 WeakPolarHBondContact OD1-CB 3.47Å; D1393-S1395 PolarHBondContact OD1-N 2.88Å; D1393-S1395 PolarHBondContact OD1-OG 2.72Å; S1395-S1409 WeakPolarHBondContact CB-OG 3.19Å; S1395-F1410 CarbonylContact C-O 3.5Å; S1395-F1410 VanDerWaalsContact CA-O 3.26Å; S1395-F1410 WeakPolarHBondContact CA-O 3.46Å
1396V79Confident78.1Confident1 Ų133.3 Ų33.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-94.2115.8171.6178.30000108.4V1388 T1389 Y1390 S1409 F1410 L1423 F1432V1388-V1396 HydrophobicContact CG1-CG1 3.79Å; T1389-V1396 CarbonylContact O-C 3.59Å; T1389-V1396 WeakPolarHBondContact O-CA 3.21Å; Y1390-V1396 HydrophobicContact CD2-CG2 3.64Å; Y1390-V1396 HydrophobicContact CE2-CG2 3.92Å; V1396-S1409 CarbonylContact O-C 3.54Å; V1396-S1409 WeakPolarHBondContact O-CA 3.42Å; V1396-F1410 HydrophobicContact CB-CB 4.47Å; V1396-F1410 PolarHBondContact N-O 3.36Å; V1396-F1410 PolarHBondContact O-N 3.32Å; V1396-L1423 HydrophobicContact CG1-CD2 3.91Å; V1396-L1423 HydrophobicContact CG2-CD2 4.04Å; V1396-F1432 HydrophobicContact CB-CD1 4.28Å; V1396-F1432 HydrophobicContact CB-CE1 4.14Å; V1396-F1432 HydrophobicContact CB-CZ 4.3Å; V1396-F1432 HydrophobicContact CG1-CD1 4.1Å; V1396-F1432 HydrophobicContact CG1-CE1 4.07Å; V1396-F1432 HydrophobicContact CG2-CB 4.19Å; V1396-F1432 HydrophobicContact CG2-CD1 3.94Å; V1396-F1432 HydrophobicContact CG2-CD2 3.9Å; V1396-F1432 HydrophobicContact CG2-CE1 4.21Å; V1396-F1432 HydrophobicContact CG2-CE2 4.18Å; V1396-F1432 HydrophobicContact CG2-CG 3.77Å; V1396-F1432 HydrophobicContact CG2-CZ 4.32Å
1397V82.5Confident77.9Confident3 Ų334.4 Ų34.42%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-116.1126.6-170.9-170.40000110.6V1388 T1389 W1399 I1406V1388-V1397 CarbonylContact C-O 3.54Å; V1388-V1397 VanDerWaalsContact CA-O 3.31Å; V1388-V1397 WeakPolarHBondContact CA-O 3.4Å; T1389-V1397 PolarHBondContact N-O 3.14Å; T1389-V1397 PolarHBondContact O-N 3.2Å; V1397-W1399 HydrophobicContact CG1-CD2 4.4Å; V1397-W1399 HydrophobicContact CG1-CZ2 4.12Å; V1397-I1406 HydrophobicContact CG1-CB 4.21Å; V1397-I1406 HydrophobicContact CG1-CD1 3.55Å; V1397-I1406 HydrophobicContact CG1-CG1 3.59Å; V1397-I1406 HydrophobicContact CG1-CG2 3.64Å
1398I86.4Confident77.8Confident1 Ų138.9 Ų38.91%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-101.1124.2174.8-55.3-179.6000109V1388 I1407 R1408 F1410 V1441 A1446V1388-I1398 HydrophobicContact CG1-CG1 4.26Å; V1388-I1398 HydrophobicContact CG2-CG1 4.1Å; V1388-I1398 HydrophobicContact CG2-CG2 4.4Å; I1398-I1407 HydrophobicContact CG2-CB 4.41Å; I1398-I1407 HydrophobicContact CG2-CD1 3.98Å; I1398-I1407 HydrophobicContact CG2-CG1 4.41Å; I1398-I1407 PolarHBondContact O-N 3.39Å; I1398-R1408 PolarHBondContact N-O 3.43Å; I1398-F1410 HydrophobicContact CD1-CE2 3.74Å; I1398-F1410 HydrophobicContact CD1-CZ 4.43Å; I1398-F1410 HydrophobicContact CG1-CE2 4.19Å; I1398-V1441 HydrophobicContact CD1-CG1 3.67Å; I1398-A1446 HydrophobicContact CD1-CB 4.04Å
1399W83.9Confident77.5Confident8 Ų841.9 Ų41.93%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-108.4134.7-178.4-59.381.7000111.4L1282 L1320 L1387 T1389 V1397 C1405 I1406L1282-W1399 HydrophobicContact CD2-CD2 4.11Å; L1282-W1399 HydrophobicContact CD2-CG 4.43Å; L1282-W1399 HydrophobicContact CD2-CZ2 3.85Å; L1320-W1399 HydrophobicContact CB-CD2 4.49Å; L1320-W1399 HydrophobicContact CB-CE3 3.89Å; L1320-W1399 HydrophobicContact CB-CH2 4.35Å; L1320-W1399 HydrophobicContact CB-CZ3 3.81Å; L1320-W1399 HydrophobicContact CD1-CB 4.34Å; L1320-W1399 HydrophobicContact CD1-CD2 4.27Å; L1320-W1399 HydrophobicContact CD1-CE3 4.27Å; L1320-W1399 HydrophobicContact CD1-CG 4.33Å; L1320-W1399 HydrophobicContact CD2-CE3 4.18Å; L1320-W1399 HydrophobicContact CG-CE3 4.34Å; L1387-W1399 HydrophobicContact CB-CB 4.31Å; L1387-W1399 PolarHBondContact N-O 3.44Å; L1387-W1399 PolarHBondContact O-N 2.98Å; T1389-W1399 PolarHBondContact OG1-NE1 2.8Å; V1397-W1399 HydrophobicContact CG1-CD2 4.4Å; V1397-W1399 HydrophobicContact CG1-CZ2 4.12Å; W1399-C1405 CarbonylContact C-O 3.28Å; W1399-C1405 WeakPolarHBondContact CA-O 3.47Å; W1399-I1406 HydrophobicContact CD2-CG1 3.9Å; W1399-I1406 HydrophobicContact CE3-CG1 3.66Å; W1399-I1406 HydrophobicContact CH2-CD1 3.83Å; W1399-I1406 HydrophobicContact CH2-CG1 3.71Å; W1399-I1406 HydrophobicContact CZ2-CD1 3.97Å; W1399-I1406 HydrophobicContact CZ2-CG1 3.91Å; W1399-I1406 HydrophobicContact CZ3-CD1 4.18Å; W1399-I1406 HydrophobicContact CZ3-CG1 3.57Å
1400D82.2Confident77.1Confident21 Ų2142.4 Ų42.411%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-89.1119.5166.6-156.4-73.5000109.3R1386 Q1402 H1403 K1404 C1405 I1407R1386-D1400 IonicContact CZ-OD2 3.91Å; R1386-D1400 IonicContact NE-OD2 3.45Å; R1386-D1400 PolarHBondContact NE-OD2 3.36Å; R1386-D1400 IonicContact NH2-OD2 3.47Å; R1386-D1400 PolarHBondContact NH2-OD2 3.42Å; D1400-Q1402 WeakPolarHBondContact OD1-CB 3.27Å; D1400-Q1402 PolarHBondContact OD1-N 2.99Å; D1400-Q1402 VanDerWaalsContact OD1-N 3.1Å; D1400-H1403 HydrophobicContact CB-CB 4.38Å; D1400-H1403 IonicContact OD1-CD2 3.71Å; D1400-H1403 PolarHBondContact OD1-N 3.13Å; D1400-K1404 VanDerWaalsContact O-CA 3.28Å; D1400-K1404 WeakPolarHBondContact O-CA 3.47Å; D1400-K1404 PolarHBondContact O-N 3.12Å; D1400-C1405 PolarHBondContact N-O 3.47Å; D1400-C1405 PolarHBondContact O-N 3.49Å; D1400-I1407 HydrophobicContact CB-CD1 3.68Å; D1400-I1407 HydrophobicContact CB-CG1 3.7Å
1401L79.1Confident76.8Confident0 Ų048.2 Ų48.20%024%0.239CC..THydrogen-bonded Turntrans-82.2-21.8-175.1-61.8179.8000112.6V1284 L1320 L1361 L1382 L1387V1284-L1401 HydrophobicContact CB-CD2 4.48Å; V1284-L1401 HydrophobicContact CG1-CD1 4.32Å; V1284-L1401 HydrophobicContact CG2-CD2 3.86Å; L1320-L1401 HydrophobicContact CD1-CD2 3.7Å; L1320-L1401 HydrophobicContact CD2-CD2 4.16Å; L1320-L1401 HydrophobicContact CG-CD2 4.48Å; L1361-L1401 HydrophobicContact CD2-CD1 3.88Å; L1382-L1401 HydrophobicContact CB-CB 4.2Å; L1382-L1401 HydrophobicContact CD2-CB 4.21Å; L1387-L1401 HydrophobicContact CB-CD1 4.24Å; L1387-L1401 HydrophobicContact CB-CD2 4.03Å; L1387-L1401 HydrophobicContact CB-CG 4.38Å
1402Q76.9Confident76.4Confident103 Ų10347.1 Ų47.148%0.48123%0.233SC..THydrogen-bonded Turntrans-71.3-43.4172.2-174.6-179.3-17.300110.9A1383 D1400A1383-Q1402 HydrophobicContact CB-CB 4.18Å; A1383-Q1402 HydrophobicContact CB-CG 4.14Å; D1400-Q1402 WeakPolarHBondContact OD1-CB 3.27Å; D1400-Q1402 PolarHBondContact OD1-N 2.99Å; D1400-Q1402 VanDerWaalsContact OD1-N 3.1Å
1403H73.1Confident75.7Confident128 Ų12846.1 Ų46.159%0.59323%0.229SC*.THydrogen-bonded Turntrans-95-3.2-177.4-64.4-68.7000114.2D1400 C1405D1400-H1403 HydrophobicContact CB-CB 4.38Å; D1400-H1403 IonicContact OD1-CD2 3.71Å; D1400-H1403 PolarHBondContact OD1-N 3.13Å; H1403-C1405 VanDerWaalsContact CB-SG 3.56Å; H1403-C1405 PolarHBondContact O-N 3.37Å
1404K74.1Confident75.1Confident76 Ų7643.5 Ų43.533%0.3322%0.215SC..THydrogen-bonded Turntrans50.741-179.7-60.1-175.6179.8-177.30112.4D1316 S1318 L1320 D1400D1316-K1404 IonicContact OD2-NZ 2.92Å; D1316-K1404 PolarHBondContact OD2-NZ 3.46Å; S1318-K1404 VanDerWaalsContact CB-CE 3.45Å; L1320-K1404 HydrophobicContact CD2-CB 3.98Å; L1320-K1404 HydrophobicContact CD2-CG 4.31Å; D1400-K1404 VanDerWaalsContact O-CA 3.28Å; D1400-K1404 WeakPolarHBondContact O-CA 3.47Å; D1400-K1404 PolarHBondContact O-N 3.12Å
1405C75.6Confident74.2Confident55 Ų5547.7 Ų47.737%0.37224%0.244SC..EExtended strand (participates in β ladder)trans-138160.8-171.671.10000113.4W1399 D1400 H1403W1399-C1405 CarbonylContact C-O 3.28Å; W1399-C1405 WeakPolarHBondContact CA-O 3.47Å; D1400-C1405 PolarHBondContact N-O 3.47Å; D1400-C1405 PolarHBondContact O-N 3.49Å; H1403-C1405 VanDerWaalsContact CB-SG 3.56Å; H1403-C1405 PolarHBondContact O-N 3.37Å
1406I79.8Confident72.9Confident59 Ų5952.1 Ų52.130%0.30327%0.271SS..EExtended strand (participates in β ladder)trans-77.5124.9172.2-63.9176.5000109.7N1322 V1397 W1399N1322-I1406 WeakPolarHBondContact OD1-CD1 3.19Å; V1397-I1406 HydrophobicContact CG1-CB 4.21Å; V1397-I1406 HydrophobicContact CG1-CD1 3.55Å; V1397-I1406 HydrophobicContact CG1-CG1 3.59Å; V1397-I1406 HydrophobicContact CG1-CG2 3.64Å; W1399-I1406 HydrophobicContact CD2-CG1 3.9Å; W1399-I1406 HydrophobicContact CE3-CG1 3.66Å; W1399-I1406 HydrophobicContact CH2-CD1 3.83Å; W1399-I1406 HydrophobicContact CH2-CG1 3.71Å; W1399-I1406 HydrophobicContact CZ2-CD1 3.97Å; W1399-I1406 HydrophobicContact CZ2-CG1 3.91Å; W1399-I1406 HydrophobicContact CZ3-CD1 4.18Å; W1399-I1406 HydrophobicContact CZ3-CG1 3.57Å
1407I81.7Confident71.2Confident60 Ų6054.8 Ų54.831%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-80.2-44.7171.4-47-176.4000110R1386 I1398 D1400 A1446R1386-I1407 VanDerWaalsContact NE-CD1 3.3Å; I1398-I1407 HydrophobicContact CG2-CB 4.41Å; I1398-I1407 HydrophobicContact CG2-CD1 3.98Å; I1398-I1407 HydrophobicContact CG2-CG1 4.41Å; I1398-I1407 PolarHBondContact O-N 3.39Å; D1400-I1407 HydrophobicContact CB-CD1 3.68Å; D1400-I1407 HydrophobicContact CB-CG1 3.7Å; I1407-A1446 HydrophobicContact CB-CB 4.39Å; I1407-A1446 HydrophobicContact CG2-CB 3.66Å
1408R81.6Confident69.4Low94 Ų9461.7 Ų61.736%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-159.9146.6179.1-135.7165.5-171-170.5-1.3110.8I1398 F1410 A1446I1398-R1408 PolarHBondContact N-O 3.43Å; R1408-F1410 HydrophobicContact CB-CE2 4.21Å; R1408-F1410 HydrophobicContact CB-CZ 4.11Å; R1408-F1410 HydrophobicContact CG-CE1 4.26Å; R1408-F1410 HydrophobicContact CG-CZ 4.15Å; R1408-A1446 HydrophobicContact CB-CB 4.21Å; R1408-A1446 WeakPolarHBondContact CD-O 3.39Å; R1408-A1446 PolarHBondContact NH1-O 3.2Å
1409S80.1Confident67.8Low63 Ų6363.3 Ų63.344%0.44133%0.327SS..EExtended strand (participates in β ladder)trans-118.4140.5164.5169.40000108.6S1395 V1396S1395-S1409 WeakPolarHBondContact CB-OG 3.19Å; V1396-S1409 CarbonylContact O-C 3.54Å; V1396-S1409 WeakPolarHBondContact O-CA 3.42Å
1410F76.9Confident66.1Low10 Ų1067.6 Ų67.64%0.04436%0.359CS..EExtended strand (participates in β ladder)trans-121.1128.6176.5-53.2-80.9000108.3S1395 V1396 I1398 R1408 F1432 V1441 Y1448S1395-F1410 CarbonylContact C-O 3.5Å; S1395-F1410 VanDerWaalsContact CA-O 3.26Å; S1395-F1410 WeakPolarHBondContact CA-O 3.46Å; V1396-F1410 HydrophobicContact CB-CB 4.47Å; V1396-F1410 PolarHBondContact N-O 3.36Å; V1396-F1410 PolarHBondContact O-N 3.32Å; I1398-F1410 HydrophobicContact CD1-CE2 3.74Å; I1398-F1410 HydrophobicContact CD1-CZ 4.43Å; I1398-F1410 HydrophobicContact CG1-CE2 4.19Å; R1408-F1410 HydrophobicContact CB-CE2 4.21Å; R1408-F1410 HydrophobicContact CB-CZ 4.11Å; R1408-F1410 HydrophobicContact CG-CE1 4.26Å; R1408-F1410 HydrophobicContact CG-CZ 4.15Å; F1410-F1432 HydrophobicContact CB-CE1 4.49Å; F1410-F1432 HydrophobicContact CB-CE2 4.35Å; F1410-F1432 HydrophobicContact CB-CZ 3.67Å; F1410-F1432 HydrophobicContact CD2-CE1 4.42Å; F1410-F1432 HydrophobicContact CD2-CZ 4.35Å; F1410-F1432 HydrophobicContact CG-CZ 4.08Å; F1410-V1441 HydrophobicContact CD2-CG2 4.45Å; F1410-V1441 HydrophobicContact CE1-CG2 4.39Å; F1410-V1441 HydrophobicContact CE2-CB 4.47Å; F1410-V1441 HydrophobicContact CE2-CG1 3.74Å; F1410-V1441 HydrophobicContact CE2-CG2 4.04Å; F1410-V1441 HydrophobicContact CZ-CG1 3.78Å; F1410-V1441 HydrophobicContact CZ-CG2 3.98Å; F1410-Y1448 HydrophobicContact CD1-CD2 4.47Å; F1410-Y1448 AromaticContact CD1-CE1 3.84Å; F1410-Y1448 HydrophobicContact CD1-CE1 3.84Å; F1410-Y1448 AromaticContact CD1-CE2 3.63Å; F1410-Y1448 HydrophobicContact CD1-CE2 3.63Å; F1410-Y1448 AromaticContact CD1-CZ 3.26Å; F1410-Y1448 VanDerWaalsContact CD1-OH 3.23Å; F1410-Y1448 WeakPolarHBondContact CD1-OH 3.2Å; F1410-Y1448 HydrophobicContact CE1-CD2 4.21Å; F1410-Y1448 HydrophobicContact CE1-CE1 4.07Å; F1410-Y1448 AromaticContact CE1-CE2 3.79Å; F1410-Y1448 HydrophobicContact CE1-CE2 3.79Å; F1410-Y1448 AromaticContact CE1-CZ 3.73Å; F1410-Y1448 HydrophobicContact CG-CE1 4.32Å; F1410-Y1448 AromaticContact CG-CZ 3.98Å
1411K71.1Confident64.9Low133 Ų13368 Ų6858%0.57836%0.364SS*.EExtended strand (participates in β ladder)trans-84.7122.2177.6-175.4165.8-175.7162.90110.4
1412A66Low64Low1 Ų168.4 Ų68.41%0.00837%0.365CS..  trans-102137.2161.200000110G1394 L1414 F1432 G1433 D1434G1394-A1412 CarbonylContact C-O 3.59Å; G1394-A1412 WeakPolarHBondContact CA-O 3.29Å; G1394-A1412 CarbonylContact O-C 3.43Å; G1394-A1412 WeakPolarHBondContact O-CA 3.38Å; G1394-A1412 VanDerWaalsContact O-CB 3.27Å; G1394-A1412 WeakPolarHBondContact O-CB 3.18Å; G1394-A1412 PolarHBondContact O-N 2.81Å; A1412-L1414 VanDerWaalsContact C-N 3.29Å; A1412-L1414 PolarHBondContact O-N 3.39Å; A1412-F1432 HydrophobicContact CB-CD2 4.17Å; A1412-F1432 HydrophobicContact CB-CE2 4.36Å; A1412-G1433 WeakPolarHBondContact CB-O 3.45Å; A1412-D1434 WeakPolarHBondContact CA-OD1 3.3Å; A1412-D1434 HydrophobicContact CB-CB 3.95Å
1413N53.8Low63.5Low72 Ų7263.6 Ų63.639%0.38534%0.343SS..SBendtrans-81.571.7175-78.5-16.9000111.9D1434 Q1435N1413-D1434 PolarHBondContact N-OD1 3.41Å; N1413-Q1435 HydrophobicContact CB-CG 4.01Å; N1413-Q1435 VanDerWaalsContact ND2-CG 3.26Å; N1413-Q1435 WeakPolarHBondContact ND2-CG 3.43Å; N1413-Q1435 PolarHBondContact ND2-NE2 3Å
1414L55.1Low63.3Low18 Ų1857.8 Ų57.89%0.09432%0.316CS..  trans-149.3127171.7-108.7160.4000111.6Y1390 G1394 A1412 L1484 V1485Y1390-L1414 WeakPolarHBondContact OH-CB 3.48Å; Y1390-L1414 PolarHBondContact OH-O 3.03Å; G1394-L1414 VanDerWaalsContact CA-O 3.27Å; G1394-L1414 WeakPolarHBondContact CA-O 3.49Å; A1412-L1414 VanDerWaalsContact C-N 3.29Å; A1412-L1414 PolarHBondContact O-N 3.39Å; L1414-L1484 WeakPolarHBondContact CD1-O 3.28Å; L1414-V1485 HydrophobicContact CD1-CB 3.99Å; L1414-V1485 HydrophobicContact CD1-CG1 4.18Å; L1414-V1485 HydrophobicContact CD1-CG2 3.75Å; L1414-V1485 HydrophobicContact CD2-CG2 3.73Å; L1414-V1485 HydrophobicContact CG-CG2 4.39Å
1415S47Very low62.9Low87 Ų8755.1 Ų55.161%0.60831%0.307SS*.  trans-141.512.2-17662.30000114.2
1416T44.5Very low62.3Low101 Ų10153.7 Ų53.762%0.6230%0.297SS*.SBendtrans-147.540.1-164.858.20000115.5
1417F44.6Very low61.5Low57 Ų5756.5 Ų56.525%0.2531%0.312CS..  trans-147138.3160.6-94.6-69.9000111.6V1485F1417-V1485 HydrophobicContact CB-CG2 4.33Å; F1417-V1485 HydrophobicContact CD2-CG2 4.19Å
1418N43.8Very low60.8Low148 Ų14855 Ų5579%0.79131%0.312SS*.  trans-87.2116.6170.8-17815.8000109
1419M52.2Low60.4Low35 Ų3552.5 Ų52.517%0.17230%0.302CS..  trans-145.4140.4174.2-85.2-13463.800111.1S1421 L1422 L1487M1419-S1421 PolarHBondContact O-N 2.77Å; M1419-L1422 HydrophobicContact CB-CD2 4.37Å; M1419-L1422 HydrophobicContact CB-CG 4.41Å; M1419-L1487 HydrophobicContact CE-CB 3.9Å; M1419-L1487 WeakPolarHBondContact CE-O 3.4Å; M1419-L1487 VanDerWaalsContact SD-CA 3.59Å; M1419-L1487 HydrophobicContact SD-CB 3.65Å; M1419-L1487 HydrophobicContact SD-CD2 3.46Å; M1419-L1487 WeakPolarHBondContact SD-CD2 3.44Å; M1419-L1487 HydrophobicContact SD-CG 4.04Å
1420S49.8Very low60.2Low99 Ų9949.6 Ų49.669%0.69228%0.282SS*.THydrogen-bonded Turntrans-62.4-24.9-176.938.30000114.3N1358N1358-S1420 PolarHBondContact ND2-O 3.15Å
1421S56.2Low60.1Low30 Ų3049.2 Ų49.221%0.2128%0.28CS..THydrogen-bonded Turntrans-13038.4-167.225.60000114.8M1419 L1423 L1487M1419-S1421 PolarHBondContact O-N 2.77Å; S1421-L1423 PolarHBondContact O-N 3.09Å; S1421-L1423 VanDerWaalsContact O-N 3.12Å; S1421-L1487 PolarHBondContact OG-O 3.12Å
1422L59.8Low60.2Low7 Ų742.9 Ų42.94%0.03725%0.253CS..SBendtrans-54.3-27.2174.1-70.4171.5000114.3I1357 N1358 Y1390 M1419 V1485I1357-L1422 HydrophobicContact CB-CD1 4.13Å; I1357-L1422 HydrophobicContact CD1-CD1 4.07Å; I1357-L1422 HydrophobicContact CG2-CD1 3.92Å; N1358-L1422 HydrophobicContact CB-CB 4.22Å; Y1390-L1422 HydrophobicContact CD1-CD1 4.17Å; Y1390-L1422 HydrophobicContact CD2-CB 4.32Å; Y1390-L1422 HydrophobicContact CE1-CD1 4.35Å; Y1390-L1422 HydrophobicContact CG-CB 4.4Å; M1419-L1422 HydrophobicContact CB-CD2 4.37Å; M1419-L1422 HydrophobicContact CB-CG 4.41Å; L1422-V1485 HydrophobicContact CD2-CG1 3.44Å; L1422-V1485 VanDerWaalsContact CD2-CG1 3.44Å
1423L67.2Low60.3Low2 Ų243 Ų431%0.0125%0.254CS..SBendtrans-110.1100.9169.3-67.8173.1000110.4N1358 R1360 V1388 Y1390 V1396 S1421 V1430 F1432N1358-L1423 HydrophobicContact CB-CD1 4.21Å; N1358-L1423 HydrophobicContact CB-CG 4.24Å; R1360-L1423 PolarHBondContact NE-O 3.23Å; V1388-L1423 HydrophobicContact CG1-CD1 4.2Å; Y1390-L1423 HydrophobicContact CD2-CD2 4.2Å; Y1390-L1423 HydrophobicContact CD2-CG 4.44Å; V1396-L1423 HydrophobicContact CG1-CD2 3.91Å; V1396-L1423 HydrophobicContact CG2-CD2 4.04Å; S1421-L1423 PolarHBondContact O-N 3.09Å; S1421-L1423 VanDerWaalsContact O-N 3.12Å; L1423-V1430 HydrophobicContact CD2-CG1 3.9Å; L1423-F1432 HydrophobicContact CD2-CB 4.5Å
1424L67.6Low60.9Low6 Ų639.7 Ų39.73%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-77.3151.1166.7-57.2175.2000109.1V1431 P1486 I1489 V1532L1424-V1431 HydrophobicContact CB-CB 4.18Å; L1424-V1431 PolarHBondContact N-O 3.34Å; L1424-V1431 PolarHBondContact O-N 3.34Å; L1424-P1486 HydrophobicContact CD1-CB 3.9Å; L1424-P1486 HydrophobicContact CG-CB 4.46Å; L1424-I1489 HydrophobicContact CB-CD1 4.18Å; L1424-I1489 HydrophobicContact CD1-CD1 4.11Å; L1424-I1489 HydrophobicContact CD1-CG1 3.95Å; L1424-I1489 HydrophobicContact CD2-CD1 4.17Å; L1424-I1489 HydrophobicContact CD2-CG1 4.1Å; L1424-I1489 HydrophobicContact CG-CD1 4.39Å; L1424-V1532 HydrophobicContact CD1-CG1 3.7Å; L1424-V1532 HydrophobicContact CD1-CG2 4.37Å
1425S66Low61.2Low20 Ų2043.5 Ų43.514%0.1425%0.254CS..EExtended strand (participates in β ladder)trans-139.7129.3162.878.80000112.1R1360 R1429R1360-S1425 WeakPolarHBondContact CD-OG 3.25Å; R1360-S1425 PolarHBondContact NH1-OG 2.92Å; S1425-R1429 CarbonylContact C-O 3.5Å; S1425-R1429 WeakPolarHBondContact CA-O 3.02Å; S1425-R1429 VanDerWaalsContact CB-O 3.24Å; S1425-R1429 WeakPolarHBondContact CB-O 3.42Å
1426V63.1Low61.9Low26 Ų2639.6 Ų39.616%0.15823%0.227CC..EExtended strand (participates in β ladder)trans-123.4133-179.2-167.20000107.7G1428 R1429 V1431 I1489 V1547 F1552V1426-G1428 PolarHBondContact O-N 2.9Å; V1426-R1429 PolarHBondContact N-O 3.49Å; V1426-R1429 WeakPolarHBondContact O-CB 3.09Å; V1426-R1429 PolarHBondContact O-N 3.14Å; V1426-V1431 HydrophobicContact CG2-CG2 4.4Å; V1426-I1489 HydrophobicContact CG2-CD1 3.6Å; V1426-V1547 HydrophobicContact CG1-CG1 4.25Å; V1426-F1552 HydrophobicContact CB-CE2 3.84Å; V1426-F1552 HydrophobicContact CB-CZ 3.85Å; V1426-F1552 HydrophobicContact CG1-CD2 4.35Å; V1426-F1552 HydrophobicContact CG1-CE2 3.51Å; V1426-F1552 HydrophobicContact CG1-CZ 4.05Å
1427D63.4Low62.9Low117 Ų11737.7 Ų37.763%0.62621%0.209SC*.THydrogen-bonded Turntrans49.433.2-178.5-60.7-39.1000115.2R1429 F1552D1427-R1429 VanDerWaalsContact C-N 3.3Å; D1427-R1429 PolarHBondContact O-N 3.05Å; D1427-F1552 WeakPolarHBondContact OD2-CD2 3.31Å
1428G68.2Low64.1Low29 Ų2935 Ų3530%0.29920%0.197SC..THydrogen-bonded Turntrans77.98.2-178.300000115.2F1362 V1426 P1443F1362-G1428 WeakPolarHBondContact CE1-O 3.49Å; V1426-G1428 PolarHBondContact O-N 2.9Å; G1428-P1443 WeakPolarHBondContact O-CD 3.4Å; G1428-P1443 VanDerWaalsContact O-CG 3.3Å; G1428-P1443 WeakPolarHBondContact O-CG 3.42Å
1429R71.9Confident65.5Low41 Ų4130.2 Ų30.216%0.15517%0.168CC..EExtended strand (participates in β ladder)trans-104.3142.2176.2-53.3163.5-161.8-130.211.5109S1425 V1426 D1427 V1440 E1449 F1552 D1553S1425-R1429 CarbonylContact C-O 3.5Å; S1425-R1429 WeakPolarHBondContact CA-O 3.02Å; S1425-R1429 VanDerWaalsContact CB-O 3.24Å; S1425-R1429 WeakPolarHBondContact CB-O 3.42Å; V1426-R1429 PolarHBondContact N-O 3.49Å; V1426-R1429 WeakPolarHBondContact O-CB 3.09Å; V1426-R1429 PolarHBondContact O-N 3.14Å; D1427-R1429 VanDerWaalsContact C-N 3.3Å; D1427-R1429 PolarHBondContact O-N 3.05Å; R1429-V1440 HydrophobicContact CB-CG1 4.04Å; R1429-E1449 VanDerWaalsContact CD-OE2 3.31Å; R1429-E1449 WeakPolarHBondContact CD-OE2 3.25Å; R1429-E1449 IonicContact CZ-OE2 2.72Å; R1429-E1449 IonicContact NE-OE2 2.7Å; R1429-E1449 IonicContact NH1-OE1 3.98Å; R1429-E1449 IonicContact NH1-OE2 3.69Å; R1429-E1449 PolarHBondContact NH1-OE2 2.91Å; R1429-F1552 VanDerWaalsContact CD-CD1 3.49Å; R1429-D1553 PolarHBondContact NH1-O 3.26Å; R1429-D1553 PolarHBondContact NH2-O 3.2Å
1430V76.8Confident66.7Low2 Ų228.6 Ų28.61%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-81.9140.2176.7-176.60000109.6F1362 V1388 L1423 F1432 V1440 V1441 P1443F1362-V1430 HydrophobicContact CE2-CG2 3.68Å; F1362-V1430 HydrophobicContact CZ-CG2 3.56Å; V1388-V1430 HydrophobicContact CB-CG2 4.33Å; V1388-V1430 HydrophobicContact CG1-CG1 4.3Å; V1388-V1430 HydrophobicContact CG1-CG2 4.12Å; V1388-V1430 HydrophobicContact CG2-CG2 3.94Å; L1423-V1430 HydrophobicContact CD2-CG1 3.9Å; V1430-F1432 HydrophobicContact CG1-CD1 4.31Å; V1430-V1440 WeakPolarHBondContact O-CA 3.21Å; V1430-V1441 WeakPolarHBondContact CB-O 3.39Å; V1430-V1441 PolarHBondContact N-O 2.87Å; V1430-V1441 PolarHBondContact O-N 3.46Å; V1430-P1443 HydrophobicContact CG2-CB 4.46Å
1431V73.8Confident68Low2 Ų224 Ų241%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-130.3127.4175.8-172.70000110.1L1424 V1426 L1438 R1439 V1440L1424-V1431 HydrophobicContact CB-CB 4.18Å; L1424-V1431 PolarHBondContact N-O 3.34Å; L1424-V1431 PolarHBondContact O-N 3.34Å; V1426-V1431 HydrophobicContact CG2-CG2 4.4Å; V1431-L1438 HydrophobicContact CG1-CD1 3.9Å; V1431-L1438 HydrophobicContact CG1-CD2 3.69Å; V1431-L1438 HydrophobicContact CG1-CG 3.56Å; V1431-R1439 WeakPolarHBondContact CA-O 3.5Å; V1431-V1440 HydrophobicContact CG2-CG2 4.26Å
1432F74.4Confident69.2Low0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-145.2157.4-179.966.1-93.2000112.5V1396 F1410 A1412 L1423 V1430 D1434 L1438 R1439 V1441 Y1448V1396-F1432 HydrophobicContact CB-CD1 4.28Å; V1396-F1432 HydrophobicContact CB-CE1 4.14Å; V1396-F1432 HydrophobicContact CB-CZ 4.3Å; V1396-F1432 HydrophobicContact CG1-CD1 4.1Å; V1396-F1432 HydrophobicContact CG1-CE1 4.07Å; V1396-F1432 HydrophobicContact CG2-CB 4.19Å; V1396-F1432 HydrophobicContact CG2-CD1 3.94Å; V1396-F1432 HydrophobicContact CG2-CD2 3.9Å; V1396-F1432 HydrophobicContact CG2-CE1 4.21Å; V1396-F1432 HydrophobicContact CG2-CE2 4.18Å; V1396-F1432 HydrophobicContact CG2-CG 3.77Å; V1396-F1432 HydrophobicContact CG2-CZ 4.32Å; F1410-F1432 HydrophobicContact CB-CE1 4.49Å; F1410-F1432 HydrophobicContact CB-CE2 4.35Å; F1410-F1432 HydrophobicContact CB-CZ 3.67Å; F1410-F1432 HydrophobicContact CD2-CE1 4.42Å; F1410-F1432 HydrophobicContact CD2-CZ 4.35Å; F1410-F1432 HydrophobicContact CG-CZ 4.08Å; A1412-F1432 HydrophobicContact CB-CD2 4.17Å; A1412-F1432 HydrophobicContact CB-CE2 4.36Å; L1423-F1432 HydrophobicContact CD2-CB 4.5Å; V1430-F1432 HydrophobicContact CG1-CD1 4.31Å; F1432-D1434 HydrophobicContact CE2-CB 4.47Å; F1432-L1438 CarbonylContact O-C 3.55Å; F1432-R1439 HydrophobicContact CD2-CB 4.5Å; F1432-R1439 HydrophobicContact CE1-CB 4.35Å; F1432-R1439 HydrophobicContact CE2-CB 4.17Å; F1432-R1439 HydrophobicContact CE2-CG 4.39Å; F1432-R1439 HydrophobicContact CZ-CB 4.1Å; F1432-R1439 PolarHBondContact N-O 3.32Å; F1432-R1439 VanDerWaalsContact N-O 3.11Å; F1432-R1439 PolarHBondContact O-N 3.29Å; F1432-V1441 HydrophobicContact CE1-CB 4.49Å; F1432-V1441 HydrophobicContact CE1-CG2 3.75Å; F1432-V1441 HydrophobicContact CZ-CG2 4.38Å; F1432-Y1448 HydrophobicContact CE1-CE1 4.3Å; F1432-Y1448 AromaticContact CZ-CE1 3.8Å; F1432-Y1448 HydrophobicContact CZ-CE1 3.8Å
1433G68.1Low70.2Confident3 Ų323.6 Ų23.63%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-93.6140.1177.500000113.2A1412 Y1437A1412-G1433 WeakPolarHBondContact CB-O 3.45Å; G1433-Y1437 CarbonylContact C-O 3.56Å; G1433-Y1437 WeakPolarHBondContact CA-O 3.32Å
1434D65.2Low70.9Confident4 Ų426.7 Ų26.72%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-150.2124.2171.1169.345.7000110.6A1412 N1413 F1432 S1436 Y1437 R1439A1412-D1434 WeakPolarHBondContact CA-OD1 3.3Å; A1412-D1434 HydrophobicContact CB-CB 3.95Å; N1413-D1434 PolarHBondContact N-OD1 3.41Å; F1432-D1434 HydrophobicContact CE2-CB 4.47Å; D1434-S1436 VanDerWaalsContact C-N 3.3Å; D1434-S1436 PolarHBondContact O-N 3Å; D1434-Y1437 PolarHBondContact N-O 3.27Å; D1434-Y1437 WeakPolarHBondContact O-CA 3.41Å; D1434-Y1437 WeakPolarHBondContact O-CB 3.31Å; D1434-Y1437 PolarHBondContact O-N 2.89Å; D1434-R1439 IonicContact OD2-CZ 3.28Å; D1434-R1439 IonicContact OD2-NE 3.64Å; D1434-R1439 PolarHBondContact OD2-NE 2.96Å; D1434-R1439 VanDerWaalsContact OD2-NE 3.1Å; D1434-R1439 IonicContact OD2-NH2 3.17Å; D1434-R1439 PolarHBondContact OD2-NH2 3.46Å
1435Q62.8Low71.5Confident97 Ų9729.4 Ų29.445%0.45315%0.152SC..THydrogen-bonded Turntrans50.743.3171.4-70.6166.488.200114.5N1413 Y1437N1413-Q1435 HydrophobicContact CB-CG 4.01Å; N1413-Q1435 VanDerWaalsContact ND2-CG 3.26Å; N1413-Q1435 WeakPolarHBondContact ND2-CG 3.43Å; N1413-Q1435 PolarHBondContact ND2-NE2 3Å; Q1435-Y1437 VanDerWaalsContact C-N 3.25Å; Q1435-Y1437 VanDerWaalsContact O-CD2 3.26Å; Q1435-Y1437 WeakPolarHBondContact O-CD2 3.21Å; Q1435-Y1437 PolarHBondContact O-N 2.89Å
1436S61Low72Confident6 Ų628.7 Ų28.74%0.04215%0.147CC..THydrogen-bonded Turntrans66.710.6-173.576.10000117.2D1434 L1454D1434-S1436 VanDerWaalsContact C-N 3.3Å; D1434-S1436 PolarHBondContact O-N 3Å; S1436-L1454 PolarHBondContact O-N 2.6Å
1437Y65.8Low72.5Confident61 Ų6133.7 Ų33.724%0.23917%0.166CC..EExtended strand (participates in β ladder)trans-102.5134.9166.6-60-92.9000110.5I969 G1433 D1434 Q1435 V1452 Q1453I969-Y1437 HydrophobicContact CG2-CE1 4.26Å; G1433-Y1437 CarbonylContact C-O 3.56Å; G1433-Y1437 WeakPolarHBondContact CA-O 3.32Å; D1434-Y1437 PolarHBondContact N-O 3.27Å; D1434-Y1437 WeakPolarHBondContact O-CA 3.41Å; D1434-Y1437 WeakPolarHBondContact O-CB 3.31Å; D1434-Y1437 PolarHBondContact O-N 2.89Å; Q1435-Y1437 VanDerWaalsContact C-N 3.25Å; Q1435-Y1437 VanDerWaalsContact O-CD2 3.26Å; Q1435-Y1437 WeakPolarHBondContact O-CD2 3.21Å; Q1435-Y1437 PolarHBondContact O-N 2.89Å; Y1437-V1452 CarbonylContact C-O 3.53Å; Y1437-V1452 VanDerWaalsContact CA-O 3.28Å; Y1437-V1452 WeakPolarHBondContact CA-O 3.43Å; Y1437-Q1453 HydrophobicContact CD1-CB 3.75Å; Y1437-Q1453 HydrophobicContact CD1-CG 4.16Å; Y1437-Q1453 HydrophobicContact CE1-CB 3.6Å; Y1437-Q1453 HydrophobicContact CE1-CG 3.75Å; Y1437-Q1453 PolarHBondContact OH-NE2 2.83Å
1438L69.1Low73Confident1 Ų130.4 Ų30.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-91.6114164.6-167.281.2000108.1V1431 F1432 V1452 L1454 P1486 V1532 I1550V1431-L1438 HydrophobicContact CG1-CD1 3.9Å; V1431-L1438 HydrophobicContact CG1-CD2 3.69Å; V1431-L1438 HydrophobicContact CG1-CG 3.56Å; F1432-L1438 CarbonylContact O-C 3.55Å; L1438-V1452 HydrophobicContact CB-CB 4.31Å; L1438-V1452 PolarHBondContact N-O 3.03Å; L1438-V1452 PolarHBondContact O-N 3Å; L1438-L1454 HydrophobicContact CB-CD1 3.94Å; L1438-L1454 HydrophobicContact CB-CG 4.33Å; L1438-P1486 HydrophobicContact CD1-CB 4.38Å; L1438-V1532 HydrophobicContact CD1-CG1 4.07Å; L1438-V1532 HydrophobicContact CD2-CB 4.32Å; L1438-V1532 HydrophobicContact CD2-CG1 4.15Å; L1438-V1532 HydrophobicContact CD2-CG2 4.04Å; L1438-I1550 HydrophobicContact CD2-CD1 3.58Å
1439R72.7Confident73.2Confident46 Ų4631.4 Ų31.417%0.17414%0.143CC..EExtended strand (participates in β ladder)trans-100.9130.6-173.6-56.8-168.9-178.1-111.610111E967 V1431 F1432 D1434 Y1448E967-R1439 IonicContact OE2-NH1 2.65Å; V1431-R1439 WeakPolarHBondContact CA-O 3.5Å; F1432-R1439 HydrophobicContact CD2-CB 4.5Å; F1432-R1439 HydrophobicContact CE1-CB 4.35Å; F1432-R1439 HydrophobicContact CE2-CB 4.17Å; F1432-R1439 HydrophobicContact CE2-CG 4.39Å; F1432-R1439 HydrophobicContact CZ-CB 4.1Å; F1432-R1439 PolarHBondContact N-O 3.32Å; F1432-R1439 VanDerWaalsContact N-O 3.11Å; F1432-R1439 PolarHBondContact O-N 3.29Å; D1434-R1439 IonicContact OD2-CZ 3.28Å; D1434-R1439 IonicContact OD2-NE 3.64Å; D1434-R1439 PolarHBondContact OD2-NE 2.96Å; D1434-R1439 VanDerWaalsContact OD2-NE 3.1Å; D1434-R1439 IonicContact OD2-NH2 3.17Å; D1434-R1439 PolarHBondContact OD2-NH2 3.46Å; R1439-Y1448 HydrophobicContact CB-CD1 4.05Å; R1439-Y1448 HydrophobicContact CB-CE1 3.76Å; R1439-Y1448 VanDerWaalsContact CD-OH 3.31Å; R1439-Y1448 WeakPolarHBondContact CD-OH 3.24Å; R1439-Y1448 HydrophobicContact CG-CE1 4.15Å
1440V78.1Confident73.1Confident1 Ų131.6 Ų31.61%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-99.4123173.5-177.70000109.2R1429 V1430 V1431 Y1448 E1449 R1450 I1550 F1552R1429-V1440 HydrophobicContact CB-CG1 4.04Å; V1430-V1440 WeakPolarHBondContact O-CA 3.21Å; V1431-V1440 HydrophobicContact CG2-CG2 4.26Å; V1440-Y1448 WeakPolarHBondContact O-CA 3.28Å; V1440-E1449 HydrophobicContact CG1-CB 4.48Å; V1440-E1449 PolarHBondContact O-N 3.28Å; V1440-R1450 HydrophobicContact CB-CB 4.43Å; V1440-R1450 WeakPolarHBondContact CB-O 3.37Å; V1440-R1450 HydrophobicContact CG2-CB 4.39Å; V1440-R1450 PolarHBondContact N-O 3.21Å; V1440-I1550 HydrophobicContact CG2-CG2 4.01Å; V1440-F1552 HydrophobicContact CG1-CD1 4.21Å; V1440-F1552 HydrophobicContact CG1-CE1 3.76Å; V1440-F1552 HydrophobicContact CG2-CE1 4.01Å
1441V76.9Confident72.8Confident2 Ų231.7 Ų31.71%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-125.3128.1176.5175.70000110.8I1398 F1410 V1430 F1432 K1447 Y1448I1398-V1441 HydrophobicContact CD1-CG1 3.67Å; F1410-V1441 HydrophobicContact CD2-CG2 4.45Å; F1410-V1441 HydrophobicContact CE1-CG2 4.39Å; F1410-V1441 HydrophobicContact CE2-CB 4.47Å; F1410-V1441 HydrophobicContact CE2-CG1 3.74Å; F1410-V1441 HydrophobicContact CE2-CG2 4.04Å; F1410-V1441 HydrophobicContact CZ-CG1 3.78Å; F1410-V1441 HydrophobicContact CZ-CG2 3.98Å; V1430-V1441 WeakPolarHBondContact CB-O 3.39Å; V1430-V1441 PolarHBondContact N-O 2.87Å; V1430-V1441 PolarHBondContact O-N 3.46Å; F1432-V1441 HydrophobicContact CE1-CB 4.49Å; F1432-V1441 HydrophobicContact CE1-CG2 3.75Å; F1432-V1441 HydrophobicContact CZ-CG2 4.38Å; V1441-K1447 WeakPolarHBondContact CA-O 3.38Å; V1441-Y1448 HydrophobicContact CG2-CD1 3.21Å; V1441-Y1448 HydrophobicContact CG2-CE1 3.39Å; V1441-Y1448 HydrophobicContact CG2-CG 4.19Å
1442N81.4Confident72.4Confident30 Ų3031.6 Ų31.616%0.1614%0.143CC..EExtended strand (participates in β ladder)trans-83.3122.5171.7169.8-22.3000110.3W1444 T1445 A1446 K1447 E1449N1442-W1444 PolarHBondContact O-N 2.85Å; N1442-W1444 WeakPolarHBondContact OD1-CA 3.48Å; N1442-W1444 WeakPolarHBondContact OD1-CB 3.49Å; N1442-W1444 PolarHBondContact OD1-N 2.75Å; N1442-T1445 WeakPolarHBondContact CB-OG1 3.32Å; N1442-T1445 PolarHBondContact O-N 2.84Å; N1442-T1445 PolarHBondContact O-OG1 3.36Å; N1442-T1445 PolarHBondContact OD1-N 2.95Å; N1442-A1446 WeakPolarHBondContact O-CA 3.49Å; N1442-A1446 PolarHBondContact O-N 2.7Å; N1442-K1447 PolarHBondContact N-O 2.7Å; N1442-E1449 HydrophobicContact CB-CG 3.99Å; N1442-E1449 WeakPolarHBondContact CB-OE1 3.27Å; N1442-E1449 PolarHBondContact ND2-OE1 3.21Å
1443P80.5Confident72Confident0 Ų032 Ų320%015%0.146CC..THydrogen-bonded Turntrans-67.7-22-174.426.7-33.9000113.4F1362 R1386 V1388 G1428 V1430F1362-P1443 HydrophobicContact CB-CG 4.16Å; F1362-P1443 HydrophobicContact CD1-CG 3.79Å; F1362-P1443 HydrophobicContact CD2-CB 4.05Å; F1362-P1443 HydrophobicContact CD2-CG 4.04Å; F1362-P1443 HydrophobicContact CE1-CG 4.17Å; F1362-P1443 HydrophobicContact CE2-CB 4.46Å; F1362-P1443 HydrophobicContact CE2-CG 4.4Å; F1362-P1443 HydrophobicContact CG-CB 4.16Å; F1362-P1443 HydrophobicContact CG-CG 3.71Å; F1362-P1443 HydrophobicContact CZ-CG 4.46Å; R1386-P1443 WeakPolarHBondContact CD-O 3.45Å; R1386-P1443 PolarHBondContact NH1-O 3.46Å; V1388-P1443 HydrophobicContact CG2-CB 4.19Å; G1428-P1443 WeakPolarHBondContact O-CD 3.4Å; G1428-P1443 VanDerWaalsContact O-CG 3.3Å; G1428-P1443 WeakPolarHBondContact O-CG 3.42Å; V1430-P1443 HydrophobicContact CG2-CB 4.46Å
1444W82.2Confident71.7Confident66 Ų6632.1 Ų32.125%0.2515%0.145CC..THydrogen-bonded Turntrans-83.8-34.7178.9-63.5104.1000112.8F1362 M1363 R1364 R1386 N1442F1362-W1444 HydrophobicContact CB-CZ2 4.33Å; M1363-W1444 VanDerWaalsContact C-CZ2 3.48Å; R1364-W1444 HydrophobicContact CB-CE3 4.43Å; R1364-W1444 HydrophobicContact CB-CH2 3.66Å; R1364-W1444 HydrophobicContact CB-CZ2 3.72Å; R1364-W1444 HydrophobicContact CB-CZ3 4.01Å; R1364-W1444 HydrophobicContact CG-CD2 4.46Å; R1364-W1444 HydrophobicContact CG-CE3 4.42Å; R1364-W1444 HydrophobicContact CG-CH2 4.49Å; R1364-W1444 HydrophobicContact CG-CZ3 4.42Å; R1364-W1444 VanDerWaalsContact N-CZ2 3.29Å; R1386-W1444 HydrophobicContact CB-CH2 4.13Å; R1386-W1444 HydrophobicContact CB-CZ2 4.4Å; R1386-W1444 HydrophobicContact CB-CZ3 4.46Å; R1386-W1444 HydrophobicContact CG-CE3 4.25Å; R1386-W1444 HydrophobicContact CG-CH2 3.79Å; R1386-W1444 HydrophobicContact CG-CZ2 4.47Å; R1386-W1444 HydrophobicContact CG-CZ3 3.69Å; R1386-W1444 VanDerWaalsContact NH1-C 3.31Å; R1386-W1444 PolarHBondContact NH1-O 2.89Å; N1442-W1444 PolarHBondContact O-N 2.85Å; N1442-W1444 WeakPolarHBondContact OD1-CA 3.48Å; N1442-W1444 WeakPolarHBondContact OD1-CB 3.49Å; N1442-W1444 PolarHBondContact OD1-N 2.75Å
1445T80.4Confident71.1Confident64 Ų6433.3 Ų33.339%0.39315%0.152SC..THydrogen-bonded Turntrans-88.6-20.617566.80000113.3N1442 K1447N1442-T1445 WeakPolarHBondContact CB-OG1 3.32Å; N1442-T1445 PolarHBondContact O-N 2.84Å; N1442-T1445 PolarHBondContact O-OG1 3.36Å; N1442-T1445 PolarHBondContact OD1-N 2.95Å; T1445-K1447 PolarHBondContact O-N 2.97Å; T1445-K1447 PolarHBondContact OG1-N 3.34Å
1446A75.9Confident70.2Confident4 Ų433 Ų333%0.03316%0.158CC..THydrogen-bonded Turntrans49.834-168.500000112.9I1398 I1407 R1408 N1442I1398-A1446 HydrophobicContact CD1-CB 4.04Å; I1407-A1446 HydrophobicContact CB-CB 4.39Å; I1407-A1446 HydrophobicContact CG2-CB 3.66Å; R1408-A1446 HydrophobicContact CB-CB 4.21Å; R1408-A1446 WeakPolarHBondContact CD-O 3.39Å; R1408-A1446 PolarHBondContact NH1-O 3.2Å; N1442-A1446 WeakPolarHBondContact O-CA 3.49Å; N1442-A1446 PolarHBondContact O-N 2.7Å
1447K73.2Confident69.3Low131 Ų13135.2 Ų35.257%0.5717%0.172SC*.EExtended strand (participates in β ladder)trans-118.4146.3178.2-70167.7-171.8174.20109.8V1441 N1442 T1445 E1449V1441-K1447 WeakPolarHBondContact CA-O 3.38Å; N1442-K1447 PolarHBondContact N-O 2.7Å; T1445-K1447 PolarHBondContact O-N 2.97Å; T1445-K1447 PolarHBondContact OG1-N 3.34Å; K1447-E1449 PolarHBondContact O-N 2.67Å
1448Y74.4Confident67.9Low48 Ų4836.4 Ų36.419%0.18819%0.189CC..EExtended strand (participates in β ladder)trans-60.7132.3160.9-64.9-61.1000108.8E967 F1410 F1432 R1439 V1440 V1441E967-Y1448 WeakPolarHBondContact OE1-CD2 3.46Å; F1410-Y1448 HydrophobicContact CD1-CD2 4.47Å; F1410-Y1448 AromaticContact CD1-CE1 3.84Å; F1410-Y1448 HydrophobicContact CD1-CE1 3.84Å; F1410-Y1448 AromaticContact CD1-CE2 3.63Å; F1410-Y1448 HydrophobicContact CD1-CE2 3.63Å; F1410-Y1448 AromaticContact CD1-CZ 3.26Å; F1410-Y1448 VanDerWaalsContact CD1-OH 3.23Å; F1410-Y1448 WeakPolarHBondContact CD1-OH 3.2Å; F1410-Y1448 HydrophobicContact CE1-CD2 4.21Å; F1410-Y1448 HydrophobicContact CE1-CE1 4.07Å; F1410-Y1448 AromaticContact CE1-CE2 3.79Å; F1410-Y1448 HydrophobicContact CE1-CE2 3.79Å; F1410-Y1448 AromaticContact CE1-CZ 3.73Å; F1410-Y1448 HydrophobicContact CG-CE1 4.32Å; F1410-Y1448 AromaticContact CG-CZ 3.98Å; F1432-Y1448 HydrophobicContact CE1-CE1 4.3Å; F1432-Y1448 AromaticContact CZ-CE1 3.8Å; F1432-Y1448 HydrophobicContact CZ-CE1 3.8Å; R1439-Y1448 HydrophobicContact CB-CD1 4.05Å; R1439-Y1448 HydrophobicContact CB-CE1 3.76Å; R1439-Y1448 VanDerWaalsContact CD-OH 3.31Å; R1439-Y1448 WeakPolarHBondContact CD-OH 3.24Å; R1439-Y1448 HydrophobicContact CG-CE1 4.15Å; V1440-Y1448 WeakPolarHBondContact O-CA 3.28Å; V1441-Y1448 HydrophobicContact CG2-CD1 3.21Å; V1441-Y1448 HydrophobicContact CG2-CE1 3.39Å; V1441-Y1448 HydrophobicContact CG2-CG 4.19Å
1449E71.9Confident66.3Low51 Ų5140.7 Ų40.724%0.23822%0.219CC..EExtended strand (participates in β ladder)trans-101.5-45.7174.5-66.4-174.6153.600110.3P968 R1429 V1440 N1442 K1447P968-E1449 WeakPolarHBondContact CG-O 3.48Å; R1429-E1449 VanDerWaalsContact CD-OE2 3.31Å; R1429-E1449 WeakPolarHBondContact CD-OE2 3.25Å; R1429-E1449 IonicContact CZ-OE2 2.72Å; R1429-E1449 IonicContact NE-OE2 2.7Å; R1429-E1449 IonicContact NH1-OE1 3.98Å; R1429-E1449 IonicContact NH1-OE2 3.69Å; R1429-E1449 PolarHBondContact NH1-OE2 2.91Å; V1440-E1449 HydrophobicContact CG1-CB 4.48Å; V1440-E1449 PolarHBondContact O-N 3.28Å; N1442-E1449 HydrophobicContact CB-CG 3.99Å; N1442-E1449 WeakPolarHBondContact CB-OE1 3.27Å; N1442-E1449 PolarHBondContact ND2-OE1 3.21Å; K1447-E1449 PolarHBondContact O-N 2.67Å
1450R70Confident64.5Low44 Ų4442.4 Ų42.417%0.16624%0.235CC..EExtended strand (participates in β ladder)trans-142.3150.3176.3-63-173.4165.2-161.3-9.8110.4P968 V1440 K1551 D1553P968-R1450 HydrophobicContact CG-CB 4.49Å; P968-R1450 HydrophobicContact CG-CG 4.02Å; V1440-R1450 HydrophobicContact CB-CB 4.43Å; V1440-R1450 WeakPolarHBondContact CB-O 3.37Å; V1440-R1450 HydrophobicContact CG2-CB 4.39Å; V1440-R1450 PolarHBondContact N-O 3.21Å; R1450-K1551 WeakPolarHBondContact CD-O 3.49Å; R1450-K1551 PolarHBondContact NH1-O 2.89Å; R1450-D1553 IonicContact CZ-OD1 2.71Å; R1450-D1553 IonicContact CZ-OD2 3.43Å; R1450-D1553 IonicContact NE-OD2 3.13Å; R1450-D1553 IonicContact NH1-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD1 2.95Å; R1450-D1553 PolarHBondContact NH2-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD2 2.75Å; R1450-D1553 PolarHBondContact NH2-OD2 3.24Å
1451S70.5Confident62.1Low4 Ų449.1 Ų49.13%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-128.7121.9169.843.40000109.4E967 I969 I970E967-S1451 PolarHBondContact OE2-OG 3.44Å; E967-S1451 VanDerWaalsContact OE2-OG 3.05Å; I969-S1451 WeakPolarHBondContact CA-O 3.42Å; I970-S1451 PolarHBondContact N-O 3.24Å; I970-S1451 VanDerWaalsContact N-O 3.11Å
1452V66Low59.9Low0 Ų056.5 Ų56.50%031%0.307CS..EExtended strand (participates in β ladder)trans-101.8117.3-176.4-177.20000108.7I970 V972 Y1437 L1438 L1454 I1550I970-V1452 HydrophobicContact CB-CG2 4.45Å; I970-V1452 CarbonylContact O-C 3.55Å; I970-V1452 VanDerWaalsContact O-CA 3.24Å; I970-V1452 WeakPolarHBondContact O-CA 3.27Å; V972-V1452 HydrophobicContact CB-CG1 3.7Å; V972-V1452 HydrophobicContact CG2-CG1 3.49Å; V972-V1452 VanDerWaalsContact CG2-CG1 3.49Å; Y1437-V1452 CarbonylContact C-O 3.53Å; Y1437-V1452 VanDerWaalsContact CA-O 3.28Å; Y1437-V1452 WeakPolarHBondContact CA-O 3.43Å; L1438-V1452 HydrophobicContact CB-CB 4.31Å; L1438-V1452 PolarHBondContact N-O 3.03Å; L1438-V1452 PolarHBondContact O-N 3Å; V1452-L1454 HydrophobicContact CG1-CD2 3.82Å; V1452-I1550 HydrophobicContact CG2-CG1 4.32Å; V1452-I1550 HydrophobicContact CG2-CG2 4.3Å
1453Q67Low57.6Low10 Ų1063.6 Ų63.65%0.04733%0.331CS..EExtended strand (participates in β ladder)trans-82.8121.5175.8-176.4162.317.800109.9I969 I970 R971 V972 Y1437 L1455I969-Q1453 HydrophobicContact CG2-CB 4.09Å; I970-Q1453 PolarHBondContact O-N 3.01Å; R971-Q1453 HydrophobicContact CG-CB 4.26Å; V972-Q1453 PolarHBondContact N-O 2.95Å; Y1437-Q1453 HydrophobicContact CD1-CB 3.75Å; Y1437-Q1453 HydrophobicContact CD1-CG 4.16Å; Y1437-Q1453 HydrophobicContact CE1-CB 3.6Å; Y1437-Q1453 HydrophobicContact CE1-CG 3.75Å; Y1437-Q1453 PolarHBondContact OH-NE2 2.83Å; Q1453-L1455 WeakPolarHBondContact CG-O 3.37Å; Q1453-L1455 PolarHBondContact NE2-O 2.88Å
1454L59.7Low55.5Low4 Ų470.5 Ų70.52%0.02137%0.368CS..  trans-101-27.8-175.7-60.4-177.5000113.8P974 S1436 L1438 V1452 L1484 V1545P974-L1454 WeakPolarHBondContact CD-O 3.36Å; P974-L1454 VanDerWaalsContact CG-O 3.25Å; P974-L1454 WeakPolarHBondContact CG-O 3.27Å; S1436-L1454 PolarHBondContact O-N 2.6Å; L1438-L1454 HydrophobicContact CB-CD1 3.94Å; L1438-L1454 HydrophobicContact CB-CG 4.33Å; V1452-L1454 HydrophobicContact CG1-CD2 3.82Å; L1454-L1484 HydrophobicContact CB-CD1 4.23Å; L1454-L1484 HydrophobicContact CD1-CD2 3.73Å; L1454-V1545 HydrophobicContact CD1-CG2 3.91Å; L1454-V1545 HydrophobicContact CD2-CB 4.32Å; L1454-V1545 HydrophobicContact CD2-CG1 3.71Å; L1454-V1545 HydrophobicContact CD2-CG2 3.6Å; L1454-V1545 HydrophobicContact CG-CG2 4.36Å
1455L52.8Low53Low30 Ų3072 Ų7216%0.15739%0.387CS..SBendtrans-117.8141.5170.8-64.7172.7000110.7Q1453 I1481 L1484Q1453-L1455 WeakPolarHBondContact CG-O 3.37Å; Q1453-L1455 PolarHBondContact NE2-O 2.88Å; L1455-I1481 HydrophobicContact CD1-CG1 4.17Å; L1455-L1484 HydrophobicContact CD1-CD1 3.81Å; L1455-L1484 HydrophobicContact CG-CD1 3.93Å
1456P45.6Very low50.9Low90 Ų9077.4 Ų77.458%0.58441%0.413SS*.  trans-61.6144.817426.9-34.1000110.4
1457P40.2Very low49.1Very low53 Ų5381.6 Ų81.634%0.34444%0.442SS..  trans-65149.8177.430-33.1000110.1S1459P1457-S1459 PolarHBondContact O-N 2.94Å
1458S37.6Very low47.4Very low85 Ų8580.8 Ų80.859%0.59445%0.453SS*.THydrogen-bonded Turntrans-76.452.8-168.261.40000114.5
1459S34.9Very low45.7Very low92 Ų9284 Ų8464%0.64347%0.474SS*.THydrogen-bonded Turntrans-130.72.5-176.456.60000114.8P1457P1457-S1459 PolarHBondContact O-N 2.94Å
1460V34.2Very low44.3Very low81 Ų8185.1 Ų85.149%0.49149%0.487SS..  trans-82.7118.8177.4-1770000110.7T809 M1462T809-V1460 HydrophobicContact CG2-CG1 4.42Å; V1460-M1462 PolarHBondContact O-N 2.73Å
1461N29.7Very low43.2Very low142 Ų14286.7 Ų86.776%0.75951%0.505SS*.  trans-73.487-176.3-80.6-44.2000113.4R1463N1461-R1463 VanDerWaalsContact C-N 3.3Å; N1461-R1463 PolarHBondContact O-N 2.76Å; N1461-R1463 VanDerWaalsContact O-N 3.11Å
1462M29.1Very low41.9Very low157 Ų15793.4 Ų93.477%0.77354%0.535SS*.  trans-79.577.8159.3-74-170.774.600111V1460V1460-M1462 PolarHBondContact O-N 2.73Å
1463R34.4Very low40.5Very low179 Ų17997.8 Ų97.868%0.67556%0.558SS**  trans-113.387.3158.9-84.6-169.4176.7-178.50.4109.6N1461 P1465N1461-R1463 VanDerWaalsContact C-N 3.3Å; N1461-R1463 PolarHBondContact O-N 2.76Å; N1461-R1463 VanDerWaalsContact O-N 3.11Å; R1463-P1465 WeakPolarHBondContact O-CD 3.39Å
1464N34.9Very low39.2Very low146 Ų146100.3 Ų100.378%0.78158%0.577SS**  trans-85.9110.8150.7-168.811.7000106.5N1466N1464-N1466 PolarHBondContact O-N 2.9Å
1465P30.6Very low38.3Very low98 Ų98103 Ų10364%0.63660%0.6SS**THydrogen-bonded Turntrans-74.4116.3-177.329.6-32.1000109.7R1463R1463-P1465 WeakPolarHBondContact O-CD 3.39Å
1466N36.1Very low37.6Very low176 Ų176104.5 Ų104.594%0.94161%0.608SS**THydrogen-bonded Turntrans165.71.7152.9-85.9-12.9000114.2N1464N1464-N1466 PolarHBondContact O-N 2.9Å
1467S37.8Very low37.3Very low92 Ų92103.7 Ų103.764%0.64360%0.598SS**  trans-117.2133.8172.266.70000113.3N1469S1467-N1469 VanDerWaalsContact C-N 3.32Å; S1467-N1469 PolarHBondContact O-N 3.03Å
1468S37.6Very low37.3Very low114 Ų114106 Ų10680%0.79760%0.6SS**THydrogen-bonded Turntrans-83.29.2-166.237.10000115.7
1469N39.4Very low37.6Very low117 Ų117107.6 Ų107.663%0.62659%0.593SS**THydrogen-bonded Turntrans-1014.1-170.5-68.4-16.8000115.3S1467 S1471 L1473S1467-N1469 VanDerWaalsContact C-N 3.32Å; S1467-N1469 PolarHBondContact O-N 3.03Å; N1469-S1471 PolarHBondContact O-N 2.97Å; N1469-L1473 PolarHBondContact O-N 2.97Å
1470S42.2Very low38.2Very low73 Ų73106.7 Ų106.751%0.5158%0.575SS.*Hα-helixtrans-69.8-22.3-167.255.60000115.9L1473 S1474S1470-L1473 PolarHBondContact O-N 3.43Å; S1470-S1474 PolarHBondContact O-N 3.31Å; S1470-S1474 VanDerWaalsContact O-N 3.08Å
1471S47.7Very low38.9Very low78 Ų78104.7 Ų104.755%0.54556%0.562SS.*Hα-helixtrans-66.8-52.817755.60000111.8N1469 L1473 S1474 A1475N1469-S1471 PolarHBondContact O-N 2.97Å; S1471-L1473 VanDerWaalsContact C-N 3.28Å; S1471-L1473 PolarHBondContact O-N 3.33Å; S1471-S1474 PolarHBondContact O-N 3.46Å; S1471-S1474 PolarHBondContact O-OG 3.48Å; S1471-A1475 PolarHBondContact O-N 2.84Å
1472H42.2Very low39.7Very low144 Ų144105.1 Ų105.167%0.66756%0.557SS**Hα-helixtrans-57-41.6172.7-88.3-98.8000111.6S1474 A1475 L1476H1472-S1474 VanDerWaalsContact C-N 3.33Å; H1472-S1474 PolarHBondContact O-N 2.67Å; H1472-A1475 PolarHBondContact O-N 2.74Å; H1472-A1475 VanDerWaalsContact O-N 3.15Å; H1472-L1476 WeakPolarHBondContact O-CB 3.37Å; H1472-L1476 VanDerWaalsContact O-CG 3.29Å; H1472-L1476 WeakPolarHBondContact O-CG 3.48Å; H1472-L1476 PolarHBondContact O-N 2.84Å
1473L37.3Very low40.9Very low93 Ų9399.7 Ų99.749%0.48753%0.529SS..Hα-helixtrans-60.5-41.2178.9-131.6164.2000111.9N1469 S1470 S1471 A1475 L1476 L1477N1469-L1473 PolarHBondContact O-N 2.97Å; S1470-L1473 PolarHBondContact O-N 3.43Å; S1471-L1473 VanDerWaalsContact C-N 3.28Å; S1471-L1473 PolarHBondContact O-N 3.33Å; L1473-A1475 PolarHBondContact O-N 3.07Å; L1473-L1476 PolarHBondContact O-N 3.49Å; L1473-L1477 HydrophobicContact CD2-CD1 3.75Å; L1473-L1477 HydrophobicContact CD2-CG 4.05Å; L1473-L1477 WeakPolarHBondContact O-CB 3.4Å; L1473-L1477 VanDerWaalsContact O-CG 3.3Å; L1473-L1477 WeakPolarHBondContact O-CG 3.48Å; L1473-L1477 PolarHBondContact O-N 2.79Å
1474S39.4Very low41.8Very low62 Ų6291.4 Ų91.443%0.43450%0.499SS..Hα-helixtrans-67.9-32175.4780000113.9S1470 S1471 H1472 R1478S1470-S1474 PolarHBondContact O-N 3.31Å; S1470-S1474 VanDerWaalsContact O-N 3.08Å; S1471-S1474 PolarHBondContact O-N 3.46Å; S1471-S1474 PolarHBondContact O-OG 3.48Å; H1472-S1474 VanDerWaalsContact C-N 3.33Å; H1472-S1474 PolarHBondContact O-N 2.67Å; S1474-R1478 WeakPolarHBondContact O-CG 3.37Å; S1474-R1478 PolarHBondContact O-N 2.83Å
1475A40.2Very low42.8Very low61 Ų6184.6 Ų84.650%0.50446%0.462SS..Hα-helixtrans-76.3-38.1175.800000112.1S1471 H1472 L1473 R1478 R1479S1471-A1475 PolarHBondContact O-N 2.84Å; H1472-A1475 PolarHBondContact O-N 2.74Å; H1472-A1475 VanDerWaalsContact O-N 3.15Å; L1473-A1475 PolarHBondContact O-N 3.07Å; A1475-R1478 PolarHBondContact O-N 3.11Å; A1475-R1479 PolarHBondContact O-N 2.85Å; A1475-R1479 VanDerWaalsContact O-N 3.16Å
1476L38.3Very low44Very low62 Ų6280.1 Ų80.133%0.32543%0.433SS..Hα-helixtrans-60.3-52.1171-75.5164.5000110.4H1472 L1473 R1478 R1479 W1480H1472-L1476 WeakPolarHBondContact O-CB 3.37Å; H1472-L1476 VanDerWaalsContact O-CG 3.29Å; H1472-L1476 WeakPolarHBondContact O-CG 3.48Å; H1472-L1476 PolarHBondContact O-N 2.84Å; L1473-L1476 PolarHBondContact O-N 3.49Å; L1476-R1478 VanDerWaalsContact C-N 3.29Å; L1476-R1478 PolarHBondContact O-N 3.02Å; L1476-R1479 CarbonylContact O-C 3.57Å; L1476-R1479 VanDerWaalsContact O-CA 3.27Å; L1476-R1479 WeakPolarHBondContact O-CA 3.45Å; L1476-R1479 WeakPolarHBondContact O-CB 3.24Å; L1476-R1479 PolarHBondContact O-N 2.84Å; L1476-W1480 PolarHBondContact O-N 2.75Å
1477L39.1Very low45Very low72 Ų7272 Ų7238%0.37739%0.389SS..Hα-helixtrans-59.1-36.1178.6-72166.9000113.2L1473 R1479 W1480 I1481L1473-L1477 HydrophobicContact CD2-CD1 3.75Å; L1473-L1477 HydrophobicContact CD2-CG 4.05Å; L1473-L1477 WeakPolarHBondContact O-CB 3.4Å; L1473-L1477 VanDerWaalsContact O-CG 3.3Å; L1473-L1477 WeakPolarHBondContact O-CG 3.48Å; L1473-L1477 PolarHBondContact O-N 2.79Å; L1477-R1479 VanDerWaalsContact C-N 3.25Å; L1477-R1479 PolarHBondContact O-N 3.07Å; L1477-W1480 HydrophobicContact CD2-CD2 4.11Å; L1477-W1480 HydrophobicContact CD2-CE3 3.81Å; L1477-W1480 HydrophobicContact CD2-CZ3 4.19Å; L1477-W1480 PolarHBondContact O-N 3.14Å; L1477-I1481 WeakPolarHBondContact O-CD1 3.48Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.33Å; L1477-I1481 PolarHBondContact O-N 3.36Å
1478R41.5Very low45.8Very low101 Ų10167.9 Ų67.938%0.38136%0.362SS..Hα-helixtrans-70.2-18.4171.7-71.1-177.6-165.2-135.66.7114S1474 A1475 L1476S1474-R1478 WeakPolarHBondContact O-CG 3.37Å; S1474-R1478 PolarHBondContact O-N 2.83Å; A1475-R1478 PolarHBondContact O-N 3.11Å; L1476-R1478 VanDerWaalsContact C-N 3.29Å; L1476-R1478 PolarHBondContact O-N 3.02Å
1479R43.9Very low46.6Very low120 Ų12064.1 Ų64.145%0.45333%0.333SS..Hα-helixtrans-82.9-45.4171.6-155.3172.7-174.9158.9-0.7110.3A1475 L1476 L1477 I1481 K1482A1475-R1479 PolarHBondContact O-N 2.85Å; A1475-R1479 VanDerWaalsContact O-N 3.16Å; L1476-R1479 CarbonylContact O-C 3.57Å; L1476-R1479 VanDerWaalsContact O-CA 3.27Å; L1476-R1479 WeakPolarHBondContact O-CA 3.45Å; L1476-R1479 WeakPolarHBondContact O-CB 3.24Å; L1476-R1479 PolarHBondContact O-N 2.84Å; L1477-R1479 VanDerWaalsContact C-N 3.25Å; L1477-R1479 PolarHBondContact O-N 3.07Å; R1479-I1481 VanDerWaalsContact C-N 3.3Å; R1479-I1481 PolarHBondContact O-N 3.02Å; R1479-K1482 WeakPolarHBondContact O-CB 3.41Å; R1479-K1482 PolarHBondContact O-N 3.45Å
1480W47.2Very low47Very low72 Ų7258.6 Ų58.627%0.27330%0.303SS..Hα-helixtrans-52.9-44.8177-6516.8000112.2L1476 L1477 K1482 E1483 D1537 I1541L1476-W1480 PolarHBondContact O-N 2.75Å; L1477-W1480 HydrophobicContact CD2-CD2 4.11Å; L1477-W1480 HydrophobicContact CD2-CE3 3.81Å; L1477-W1480 HydrophobicContact CD2-CZ3 4.19Å; L1477-W1480 PolarHBondContact O-N 3.14Å; W1480-K1482 PolarHBondContact O-N 2.88Å; W1480-E1483 PolarHBondContact O-N 3.06Å; W1480-D1537 VanDerWaalsContact CD1-CB 3.45Å; W1480-D1537 HydrophobicContact CD2-CB 4.06Å; W1480-D1537 HydrophobicContact CG-CB 3.92Å; W1480-D1537 HydrophobicContact CZ2-CB 4.35Å; W1480-D1537 PolarHBondContact NE1-OD1 3.11Å; W1480-D1537 PolarHBondContact NE1-OD2 3.36Å; W1480-I1541 HydrophobicContact CD2-CD1 4.49Å; W1480-I1541 HydrophobicContact CE3-CD1 4.01Å; W1480-I1541 HydrophobicContact CH2-CD1 3.29Å; W1480-I1541 HydrophobicContact CZ2-CD1 3.83Å; W1480-I1541 HydrophobicContact CZ3-CD1 3.4Å
1481I47.9Very low47.1Very low40 Ų4055.6 Ų55.621%0.20528%0.284CS..THydrogen-bonded Turntrans-64.7-18.6-178-68.9165.1000113.3L1455 L1477 R1479L1455-I1481 HydrophobicContact CD1-CG1 4.17Å; L1477-I1481 WeakPolarHBondContact O-CD1 3.48Å; L1477-I1481 WeakPolarHBondContact O-CG1 3.33Å; L1477-I1481 PolarHBondContact O-N 3.36Å; R1479-I1481 VanDerWaalsContact C-N 3.3Å; R1479-I1481 PolarHBondContact O-N 3.02Å
1482K48.1Very low46.7Very low151 Ų15154.2 Ų54.266%0.65728%0.282SS*.THydrogen-bonded Turntrans-87.3-12-176-77.7-171.3172.1-172.40115.4R1479 W1480R1479-K1482 WeakPolarHBondContact O-CB 3.41Å; R1479-K1482 PolarHBondContact O-N 3.45Å; W1480-K1482 PolarHBondContact O-N 2.88Å
1483E53.2Low46.5Very low42 Ų4253.3 Ų53.320%0.19628%0.282CS..  trans-118.311.8-160.5-65.3174.7-174.500114W1480 V1485 I1535 G1538W1480-E1483 PolarHBondContact O-N 3.06Å; E1483-V1485 VanDerWaalsContact O-CG2 3.26Å; E1483-V1485 WeakPolarHBondContact O-CG2 3.4Å; E1483-V1485 PolarHBondContact O-N 3.39Å; E1483-I1535 VanDerWaalsContact O-O 3.06Å; E1483-G1538 VanDerWaalsContact OE2-CA 3.23Å; E1483-G1538 WeakPolarHBondContact OE2-CA 3.43Å; E1483-G1538 PolarHBondContact OE2-N 3.36Å
1484L53.8Low46.3Very low6 Ų655.3 Ų55.33%0.03129%0.287CS..  trans-74.185.2-170.9-156.8149000113.2L1414 L1454 L1455 S1534 I1535L1414-L1484 WeakPolarHBondContact CD1-O 3.28Å; L1454-L1484 HydrophobicContact CB-CD1 4.23Å; L1454-L1484 HydrophobicContact CD1-CD2 3.73Å; L1455-L1484 HydrophobicContact CD1-CD1 3.81Å; L1455-L1484 HydrophobicContact CG-CD1 3.93Å; L1484-S1534 WeakPolarHBondContact CD2-OG 3.49Å; L1484-S1534 VanDerWaalsContact CG-OG 3.28Å; L1484-S1534 WeakPolarHBondContact CG-OG 3.37Å; L1484-I1535 WeakPolarHBondContact CA-O 3.38Å
1485V55Low46.2Very low2 Ų257 Ų571%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-87.5128.3-179.6-156.70000111.2L1414 F1417 L1422 E1483 L1487 S1534 I1535L1414-V1485 HydrophobicContact CD1-CB 3.99Å; L1414-V1485 HydrophobicContact CD1-CG1 4.18Å; L1414-V1485 HydrophobicContact CD1-CG2 3.75Å; L1414-V1485 HydrophobicContact CD2-CG2 3.73Å; L1414-V1485 HydrophobicContact CG-CG2 4.39Å; F1417-V1485 HydrophobicContact CB-CG2 4.33Å; F1417-V1485 HydrophobicContact CD2-CG2 4.19Å; L1422-V1485 HydrophobicContact CD2-CG1 3.44Å; L1422-V1485 VanDerWaalsContact CD2-CG1 3.44Å; E1483-V1485 VanDerWaalsContact O-CG2 3.26Å; E1483-V1485 WeakPolarHBondContact O-CG2 3.4Å; E1483-V1485 PolarHBondContact O-N 3.39Å; V1485-L1487 HydrophobicContact CB-CD2 4.41Å; V1485-L1487 WeakPolarHBondContact O-CD2 3.35Å; V1485-L1487 PolarHBondContact O-N 3.49Å; V1485-S1534 VanDerWaalsContact C-OG 3.22Å; V1485-S1534 PolarHBondContact N-OG 3.48Å; V1485-S1534 WeakPolarHBondContact O-CA 3.34Å; V1485-S1534 WeakPolarHBondContact O-CB 3.36Å; V1485-S1534 PolarHBondContact O-OG 3.43Å; V1485-I1535 PolarHBondContact O-N 3.23Å
1486P56.3Low45.7Very low5 Ų557.4 Ų57.43%0.03229%0.287CS..EExtended strand (participates in β ladder)trans-68.1122.3165.729.1-32.9000109.9L1424 L1438 V1532L1424-P1486 HydrophobicContact CD1-CB 3.9Å; L1424-P1486 HydrophobicContact CG-CB 4.46Å; L1438-P1486 HydrophobicContact CD1-CB 4.38Å; P1486-V1532 HydrophobicContact CB-CG1 4.42Å
1487L56.5Low45.3Very low4 Ų459.3 Ų59.32%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-84.8-47.8-178.9-43.2-171.8000111.8V1006 M1419 S1421 V1485 I1533 I1535 L1542V1006-L1487 HydrophobicContact CB-CD1 4.33Å; V1006-L1487 HydrophobicContact CG1-CD1 4.08Å; V1006-L1487 HydrophobicContact CG2-CD1 4.23Å; M1419-L1487 HydrophobicContact CE-CB 3.9Å; M1419-L1487 WeakPolarHBondContact CE-O 3.4Å; M1419-L1487 VanDerWaalsContact SD-CA 3.59Å; M1419-L1487 HydrophobicContact SD-CB 3.65Å; M1419-L1487 HydrophobicContact SD-CD2 3.46Å; M1419-L1487 WeakPolarHBondContact SD-CD2 3.44Å; M1419-L1487 HydrophobicContact SD-CG 4.04Å; S1421-L1487 PolarHBondContact OG-O 3.12Å; V1485-L1487 HydrophobicContact CB-CD2 4.41Å; V1485-L1487 WeakPolarHBondContact O-CD2 3.35Å; V1485-L1487 PolarHBondContact O-N 3.49Å; L1487-I1533 HydrophobicContact CD1-CG2 3.67Å; L1487-I1533 HydrophobicContact CG-CG2 4.13Å; L1487-I1533 PolarHBondContact N-O 3.33Å; L1487-I1535 HydrophobicContact CD1-CD1 3.89Å; L1487-I1535 HydrophobicContact CD1-CG1 3.92Å; L1487-I1535 HydrophobicContact CD2-CB 4.01Å; L1487-I1535 HydrophobicContact CD2-CD1 3.84Å; L1487-I1535 HydrophobicContact CD2-CG1 3.87Å; L1487-I1535 HydrophobicContact CG-CG1 4.45Å; L1487-L1542 HydrophobicContact CD1-CD1 3.9Å
1488G55.1Low44.9Very low7 Ų762.6 Ų62.67%0.07232%0.317CS..EExtended strand (participates in β ladder)trans176.4-178.8-164.800000111.4I1533G1488-I1533 PolarHBondContact O-N 3.31Å; G1488-I1533 VanDerWaalsContact O-N 3.09Å
1489I53.5Low44.5Very low35 Ų3558.9 Ų58.918%0.17931%0.306CS..EExtended strand (participates in β ladder)trans-121.6120.9175.3-69.2167.4000109.2L1424 V1426 G1491 Y1531 V1532L1424-I1489 HydrophobicContact CB-CD1 4.18Å; L1424-I1489 HydrophobicContact CD1-CD1 4.11Å; L1424-I1489 HydrophobicContact CD1-CG1 3.95Å; L1424-I1489 HydrophobicContact CD2-CD1 4.17Å; L1424-I1489 HydrophobicContact CD2-CG1 4.1Å; L1424-I1489 HydrophobicContact CG-CD1 4.39Å; V1426-I1489 HydrophobicContact CG2-CD1 3.6Å; I1489-G1491 PolarHBondContact O-N 3.19Å; I1489-Y1531 CarbonylContact C-O 3.5Å; I1489-Y1531 WeakPolarHBondContact CA-O 3.41Å; I1489-V1532 HydrophobicContact CG1-CG2 4.25Å
1490T48.7Very low44.3Very low0 Ų055.6 Ų55.60%030%0.302CS..SBendtrans-78.172.416636.30000109.3C1008 G1009 Q1010 L1025 A1050 S1530 Y1531 I1533C1008-T1490 HydrophobicContact CB-CG2 3.58Å; G1009-T1490 WeakPolarHBondContact O-CG2 3.41Å; Q1010-T1490 PolarHBondContact NE2-O 3.17Å; L1025-T1490 WeakPolarHBondContact O-CG2 3.5Å; A1050-T1490 HydrophobicContact CB-CG2 4.39Å; T1490-S1530 WeakPolarHBondContact O-CA 3.42Å; T1490-Y1531 PolarHBondContact N-O 3.27Å; T1490-Y1531 PolarHBondContact O-N 3.08Å; T1490-Y1531 WeakPolarHBondContact OG1-CB 3.28Å; T1490-Y1531 WeakPolarHBondContact OG1-CD2 3.46Å; T1490-Y1531 PolarHBondContact OG1-O 3.24Å; T1490-I1533 HydrophobicContact CG2-CD1 3.5Å; T1490-I1533 VanDerWaalsContact CG2-CD1 3.5Å; T1490-I1533 WeakPolarHBondContact OG1-CD1 3.46Å
1491G45.2Very low43.9Very low11 Ų1155.8 Ų55.811%0.11331%0.306CS..SBendtrans-171.3121.7-174.600000108.5I1489 D1493 S1530I1489-G1491 PolarHBondContact O-N 3.19Å; G1491-D1493 PolarHBondContact O-N 2.93Å; G1491-D1493 VanDerWaalsContact O-N 3.16Å; G1491-S1530 WeakPolarHBondContact CA-OG 3.21Å
1492G37.6Very low43.4Very low49 Ų4955.3 Ų55.351%0.50530%0.304SS..  trans-53.4121.4-167.200000113F1494G1492-F1494 PolarHBondContact O-N 2.97Å
1493D38.7Very low42.9Very low124 Ų12454.4 Ų54.466%0.66330%0.297SS*.  trans-71.138169.6-122.4-1.3000110.7R1360 G1491 E1495R1360-D1493 IonicContact NH2-OD2 3.32Å; G1491-D1493 PolarHBondContact O-N 2.93Å; G1491-D1493 VanDerWaalsContact O-N 3.16Å; D1493-E1495 VanDerWaalsContact C-N 3.3Å; D1493-E1495 PolarHBondContact O-N 3.41Å
1494F33.4Very low42Very low135 Ų13554 Ų5459%0.59230%0.296SS*.  trans-74.587.1164.1-91.2-84.6000108P1092 G1492 S1496P1092-F1494 HydrophobicContact CG-CE2 4.4Å; G1492-F1494 PolarHBondContact O-N 2.97Å; F1494-S1496 PolarHBondContact O-N 3.37Å
1495E36.4Very low40.9Very low99 Ų9960.6 Ų60.646%0.46333%0.33SS..  trans-43.1125.8155.7-86.9-147.1143.600109.3D1493 S1497 S1499D1493-E1495 VanDerWaalsContact C-N 3.3Å; D1493-E1495 PolarHBondContact O-N 3.41Å; E1495-S1497 VanDerWaalsContact C-N 3.3Å; E1495-S1497 PolarHBondContact O-N 3.4Å; E1495-S1499 WeakPolarHBondContact CB-OG 3.45Å; E1495-S1499 WeakPolarHBondContact OE2-CB 3.42Å; E1495-S1499 PolarHBondContact OE2-OG 2.74Å
1496S31.4Very low39.7Very low69 Ų6963.5 Ų63.548%0.48335%0.347SS..  trans-73.678.1-163.544.50000113.6F1494 K1498F1494-S1496 PolarHBondContact O-N 3.37Å; S1496-K1498 PolarHBondContact O-N 2.81Å
1497S29.7Very low38.5Very low102 Ų10270.8 Ų70.871%0.71339%0.386SS*.SBendtrans51.415.1161.358.60000118.1E1495E1495-S1497 VanDerWaalsContact C-N 3.3Å; E1495-S1497 PolarHBondContact O-N 3.4Å
1498K29.6Very low37.1Very low140 Ų14081.4 Ų81.461%0.60943%0.426SS*.SBendtrans-144-6.6-175.3-66.3-167.2175.5-173.10116.7S1496S1496-K1498 PolarHBondContact O-N 2.81Å
1499S33Very low35.8Very low23 Ų2387.7 Ų87.716%0.16146%0.458CS..SBendtrans-101.8-21.1-164.636.70000116.9R1270 E1495R1270-S1499 PolarHBondContact NE-O 3.22Å; R1270-S1499 PolarHBondContact NH2-O 3.26Å; E1495-S1499 WeakPolarHBondContact CB-OG 3.45Å; E1495-S1499 WeakPolarHBondContact OE2-CB 3.42Å; E1495-S1499 PolarHBondContact OE2-OG 2.74Å
1500S39.3Very low34.7Very low52 Ų5292.4 Ų92.436%0.36448%0.484SS..SBendtrans-122.810.9-17354.30000116
1501E38.7Very low33.9Very low75 Ų75100.7 Ų100.735%0.3552%0.522SS..  trans-82118.9170.2-66.5-171.7152.400111.3Y1503E1501-Y1503 HydrophobicContact CB-CD2 4.14Å; E1501-Y1503 HydrophobicContact CB-CE2 3.61Å; E1501-Y1503 VanDerWaalsContact OE2-CE2 3.27Å; E1501-Y1503 WeakPolarHBondContact OE2-CE2 3.26Å; E1501-Y1503 VanDerWaalsContact OE2-CZ 3.31Å; E1501-Y1503 PolarHBondContact OE2-OH 3.46Å
1502L39.1Very low33Very low30 Ų30108 Ų10816%0.15755%0.554CS.*BIsolated β-bridgetrans-100.192.1177.5-154.3155.7000110.3L1206 R1270 L1271 L1504L1206-L1502 HydrophobicContact CD2-CB 4.43Å; L1206-L1502 HydrophobicContact CD2-CD1 4.02Å; R1270-L1502 HydrophobicContact CB-CD1 4.24Å; L1271-L1502 HydrophobicContact CD1-CD1 4.08Å; L1271-L1502 HydrophobicContact CD2-CD1 4.2Å; L1271-L1502 HydrophobicContact CG-CD1 3.82Å; L1502-L1504 HydrophobicContact CD2-CD1 3.88Å; L1502-L1504 HydrophobicContact CD2-CG 4.01Å; L1502-L1504 PolarHBondContact O-N 3.26Å
1503Y36.4Very low32.7Very low133 Ų133115.1 Ų115.152%0.52257%0.574SS.*  trans-69.495.7174.3-70.4-95.3000110.5E1501 I1505E1501-Y1503 HydrophobicContact CB-CD2 4.14Å; E1501-Y1503 HydrophobicContact CB-CE2 3.61Å; E1501-Y1503 VanDerWaalsContact OE2-CE2 3.27Å; E1501-Y1503 WeakPolarHBondContact OE2-CE2 3.26Å; E1501-Y1503 VanDerWaalsContact OE2-CZ 3.31Å; E1501-Y1503 PolarHBondContact OE2-OH 3.46Å; Y1503-I1505 PolarHBondContact O-N 3.02Å
1504L34.5Very low32.1Very low33 Ų33118.7 Ų118.717%0.17358%0.583CS.*  trans-69.2113.5170.5-87.8115.2000110.1V1289 L1502 T1506V1289-L1504 HydrophobicContact CG1-CD1 4.4Å; V1289-L1504 HydrophobicContact CG1-CD2 4.02Å; L1502-L1504 HydrophobicContact CD2-CD1 3.88Å; L1502-L1504 HydrophobicContact CD2-CG 4.01Å; L1502-L1504 PolarHBondContact O-N 3.26Å; L1504-T1506 HydrophobicContact CB-CG2 4.44Å; L1504-T1506 HydrophobicContact CD2-CG2 4.31Å; L1504-T1506 PolarHBondContact O-N 3.37Å
1505I31.3Very low31.8Very low144 Ų144120.7 Ų120.774%0.73860%0.599SS**  trans-96.188.7173.5-57179.4000108.2Y1503 N1507Y1503-I1505 PolarHBondContact O-N 3.02Å; I1505-N1507 PolarHBondContact O-N 3.33Å
1506T29.7Very low31.3Very low63 Ų63119.7 Ų119.739%0.38760%0.603SS.*  trans-95.463.4-177.643.40000112.6H1291 L1504H1291-T1506 HydrophobicContact CB-CG2 4.15Å; L1504-T1506 HydrophobicContact CB-CG2 4.44Å; L1504-T1506 HydrophobicContact CD2-CG2 4.31Å; L1504-T1506 PolarHBondContact O-N 3.37Å
1507N31.4Very low31.3Very low158 Ų158123 Ų12385%0.84562%0.623SS**  trans-161.3158141.3-116.7-36.4000113.9I1505I1505-N1507 PolarHBondContact O-N 3.33Å
1508R26.5Very low31.2Very low227 Ų227124.1 Ų124.186%0.85762%0.62SS**  trans-131.497.4-179174.5-171.5-175.6172.11107.5
1509N28.7Very low31Very low140 Ų140124.6 Ų124.675%0.74963%0.627SS**  trans-174.1144.5155.7-101.813.7000109.8
1510D30.5Very low30.6Very low133 Ų133128.1 Ų128.171%0.71165%0.652SS**  trans61.5122.8149.4-47.5-32000122.2
1511E31.8Very low29.9Very low174 Ų174133.2 Ų133.281%0.81367%0.672SS**  trans73.2156147.7-60.5-100.791.700121.2
1512Q26.4Very low29.1Very low166 Ų166138.9 Ų138.978%0.77670%0.695SS**  trans-80.1141-160.6-51.6157.639.500112.3
1513E30.6Very low28.4Very low198 Ų198142.7 Ų142.793%0.92571%0.714SS**  -164.1170.2129-117.3176.6-171.900114.2
1514K25Very low28Very low198 Ų198141.6 Ų141.686%0.86172%0.723SS**  trans-97.4131.3-175.9-63.8168.3-178.2165.90111
1515L28.8Very low27.5Very low178 Ų178147.6 Ų147.693%0.93275%0.754SS**  trans-141.9128.4158.9-102.4137.4000110.6
1516S25.1Very low27.5Very low77 Ų77150.4 Ų150.454%0.53876%0.755SS.*  trans-94.3147.3176.7430000110.7I1518S1516-I1518 VanDerWaalsContact C-N 3.3Å; S1516-I1518 PolarHBondContact O-N 3.1Å; S1516-I1518 WeakPolarHBondContact OG-CD1 3.48Å
1517P31.6Very low27.4Very low138 Ų138153.7 Ų153.790%0.89678%0.775SS**  trans-75.382.617631-34.3000110.5
1518I27Very low27.8Very low127 Ų127147.7 Ų147.765%0.65175%0.751SS**  trans-84115.5-177.9-79.9176.4000111.3S1516S1516-I1518 VanDerWaalsContact C-N 3.3Å; S1516-I1518 PolarHBondContact O-N 3.1Å; S1516-I1518 WeakPolarHBondContact OG-CD1 3.48Å
1519I25.9Very low28.8Very low150 Ų150137.7 Ų137.777%0.76972%0.718SS**  trans65.5134142.1-65.4177.7000119.9
1520S24Very low30Very low97 Ų97132.7 Ų132.768%0.67869%0.694SS**  trans44.9105.2153-169.40000119.6
1521M24.6Very low31.4Very low159 Ų159127.9 Ų127.978%0.78367%0.666SS**  trans-128107.9140.8-158.1179.5-160.300108M1523M1521-M1523 PolarHBondContact O-N 3.06Å; M1521-M1523 VanDerWaalsContact O-N 3.13Å
1522K23Very low32.9Very low194 Ų194119.7 Ų119.784%0.84363%0.628SS**  trans-59.7113.9177.2-76179.9175.8176.50108.9
1523M24.5Very low34.7Very low110 Ų110111.8 Ų111.854%0.54259%0.591SS.*  trans-65.4132.2166-82.6-174.1161.700108.9M1521 I1525M1521-M1523 PolarHBondContact O-N 3.06Å; M1521-M1523 VanDerWaalsContact O-N 3.13Å; M1523-I1525 PolarHBondContact O-N 3.03Å; M1523-I1525 VanDerWaalsContact O-N 3.08Å
1524P26.5Very low36.2Very low110 Ų110102.5 Ų102.571%0.71455%0.548SS*.  trans-67.7107.8166.928.2-31.6000108.1R1526P1524-R1526 PolarHBondContact O-N 3.29Å
1525I24.4Very low38Very low159 Ų15993.6 Ų93.682%0.81551%0.51SS*.  trans-70.185.8173.1-56.5175.1000107.6M1523 T1527M1523-I1525 PolarHBondContact O-N 3.03Å; M1523-I1525 VanDerWaalsContact O-N 3.08Å; I1525-T1527 HydrophobicContact CG2-CG2 4.39Å
1526R30.9Very low39.4Very low202 Ų20285.3 Ų85.376%0.76247%0.467SS*.  trans-110.393.1171.6-79.2-169.6169.5-172.5-2.8109.2P1524 G1528P1524-R1526 PolarHBondContact O-N 3.29Å; R1526-G1528 PolarHBondContact O-N 3.27Å
1527T28.2Very low40.8Very low132 Ų13282.4 Ų82.481%0.8145%0.445SS*.  trans-70.974.2172.249.90000110.4I1525I1525-T1527 HydrophobicContact CG2-CG2 4.39Å
1528G39.4Very low41.9Very low33 Ų3376.8 Ų76.834%0.3441%0.412SS..  trans-66138.6167.200000110.4R1526 S1530R1526-G1528 PolarHBondContact O-N 3.27Å; G1528-S1530 PolarHBondContact O-N 2.63Å
1529G47.5Very low43.3Very low16 Ų1670.8 Ų70.817%0.16538%0.382CS..  trans-68.699.6178.500000111.1Q1010 Y1531Q1010-G1529 PolarHBondContact NE2-O 3.09Å; G1529-Y1531 VanDerWaalsContact O-CD2 3.25Å; G1529-Y1531 WeakPolarHBondContact O-CD2 3.48Å; G1529-Y1531 WeakPolarHBondContact O-CE2 3.28Å
1530S55Low45Very low35 Ų3569 Ų6925%0.24537%0.365CS..  trans-79.4135.4162.5-63.80000108.9T1490 G1491 G1528 V1547T1490-S1530 WeakPolarHBondContact O-CA 3.42Å; G1491-S1530 WeakPolarHBondContact CA-OG 3.21Å; G1528-S1530 PolarHBondContact O-N 2.63Å; S1530-V1547 WeakPolarHBondContact O-CA 3.15Å; S1530-V1547 WeakPolarHBondContact O-CB 3.33Å; S1530-V1547 WeakPolarHBondContact O-CG2 3.27Å; S1530-V1547 PolarHBondContact O-N 3.24Å
1531Y59.8Low46.9Very low32 Ų3265 Ų6513%0.12534%0.336CS..EExtended strand (participates in β ladder)trans-128127.9174.6-46.6-115.3000111.3D1051 I1489 T1490 G1529 V1544 V1545 P1546D1051-Y1531 PolarHBondContact OD1-OH 3.37Å; D1051-Y1531 PolarHBondContact OD2-OH 2.84Å; I1489-Y1531 CarbonylContact C-O 3.5Å; I1489-Y1531 WeakPolarHBondContact CA-O 3.41Å; T1490-Y1531 PolarHBondContact N-O 3.27Å; T1490-Y1531 PolarHBondContact O-N 3.08Å; T1490-Y1531 WeakPolarHBondContact OG1-CB 3.28Å; T1490-Y1531 WeakPolarHBondContact OG1-CD2 3.46Å; T1490-Y1531 PolarHBondContact OG1-O 3.24Å; G1529-Y1531 VanDerWaalsContact O-CD2 3.25Å; G1529-Y1531 WeakPolarHBondContact O-CD2 3.48Å; G1529-Y1531 WeakPolarHBondContact O-CE2 3.28Å; Y1531-V1544 HydrophobicContact CD1-CG1 3.95Å; Y1531-V1544 HydrophobicContact CG-CG1 4.1Å; Y1531-V1545 CarbonylContact C-O 3.56Å; Y1531-V1545 VanDerWaalsContact CA-O 3.29Å; Y1531-V1545 WeakPolarHBondContact CA-O 3.47Å; Y1531-P1546 HydrophobicContact CD1-CB 3.63Å; Y1531-P1546 HydrophobicContact CD1-CG 4.25Å; Y1531-P1546 HydrophobicContact CE1-CB 3.77Å; Y1531-P1546 HydrophobicContact CE1-CG 4.37Å; Y1531-P1546 HydrophobicContact CG-CB 4.48Å
1532V63Low49Very low2 Ų257.4 Ų57.41%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-74.4128167.9-174.30000108.4L1424 L1438 P1486 I1489 V1545 V1547 I1550L1424-V1532 HydrophobicContact CD1-CG1 3.7Å; L1424-V1532 HydrophobicContact CD1-CG2 4.37Å; L1438-V1532 HydrophobicContact CD1-CG1 4.07Å; L1438-V1532 HydrophobicContact CD2-CB 4.32Å; L1438-V1532 HydrophobicContact CD2-CG1 4.15Å; L1438-V1532 HydrophobicContact CD2-CG2 4.04Å; P1486-V1532 HydrophobicContact CB-CG1 4.42Å; I1489-V1532 HydrophobicContact CG1-CG2 4.25Å; V1532-V1545 HydrophobicContact CB-CB 4.32Å; V1532-V1545 PolarHBondContact N-O 3.35Å; V1532-V1545 WeakPolarHBondContact O-CB 3.26Å; V1532-V1545 PolarHBondContact O-N 3.18Å; V1532-V1547 HydrophobicContact CG2-CG2 3.66Å; V1532-I1550 HydrophobicContact CG2-CD1 3.98Å
1533I63.9Low51.1Low0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-110.7147.3177.9-62.8142.2000109.4C1008 L1026 L1487 G1488 T1490 L1542 V1543 V1544C1008-I1533 VanDerWaalsContact SG-CD1 3.56Å; L1026-I1533 HydrophobicContact CD1-CD1 3.73Å; L1026-I1533 HydrophobicContact CD1-CG1 4.43Å; L1026-I1533 HydrophobicContact CD1-CG2 4.16Å; L1487-I1533 HydrophobicContact CD1-CG2 3.67Å; L1487-I1533 HydrophobicContact CG-CG2 4.13Å; L1487-I1533 PolarHBondContact N-O 3.33Å; G1488-I1533 PolarHBondContact O-N 3.31Å; G1488-I1533 VanDerWaalsContact O-N 3.09Å; T1490-I1533 HydrophobicContact CG2-CD1 3.5Å; T1490-I1533 VanDerWaalsContact CG2-CD1 3.5Å; T1490-I1533 WeakPolarHBondContact OG1-CD1 3.46Å; I1533-L1542 HydrophobicContact CG2-CD1 3.79Å; I1533-L1542 HydrophobicContact CG2-CD2 3.66Å; I1533-L1542 HydrophobicContact CG2-CG 3.66Å; I1533-V1543 CarbonylContact C-O 3.6Å; I1533-V1543 WeakPolarHBondContact CA-O 3.39Å; I1533-V1544 HydrophobicContact CG1-CB 4.44Å; I1533-V1544 HydrophobicContact CG1-CG1 3.93Å; I1533-V1544 HydrophobicContact CG1-CG2 4.17Å; I1533-V1544 HydrophobicContact CG2-CG2 4.5Å
1534S62.1Low53.3Low3 Ų343.1 Ų43.12%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-141.7162.6178.9-174.10000112.8L1484 V1485 L1542 V1543L1484-S1534 WeakPolarHBondContact CD2-OG 3.49Å; L1484-S1534 VanDerWaalsContact CG-OG 3.28Å; L1484-S1534 WeakPolarHBondContact CG-OG 3.37Å; V1485-S1534 VanDerWaalsContact C-OG 3.22Å; V1485-S1534 PolarHBondContact N-OG 3.48Å; V1485-S1534 WeakPolarHBondContact O-CA 3.34Å; V1485-S1534 WeakPolarHBondContact O-CB 3.36Å; V1485-S1534 PolarHBondContact O-OG 3.43Å; S1534-L1542 CarbonylContact O-C 3.56Å; S1534-L1542 VanDerWaalsContact O-CA 3.32Å; S1534-L1542 WeakPolarHBondContact O-CA 3.33Å; S1534-V1543 PolarHBondContact N-O 3.3Å; S1534-V1543 PolarHBondContact O-N 3.33Å
1535I63.6Low55.2Low12 Ų1237.9 Ų37.96%0.06220%0.2CC..EExtended strand (participates in β ladder)trans-113.4146174.1-84.1166.7000110.4E1483 L1484 V1485 L1487 I1541 L1542E1483-I1535 VanDerWaalsContact O-O 3.06Å; L1484-I1535 WeakPolarHBondContact CA-O 3.38Å; V1485-I1535 PolarHBondContact O-N 3.23Å; L1487-I1535 HydrophobicContact CD1-CD1 3.89Å; L1487-I1535 HydrophobicContact CD1-CG1 3.92Å; L1487-I1535 HydrophobicContact CD2-CB 4.01Å; L1487-I1535 HydrophobicContact CD2-CD1 3.84Å; L1487-I1535 HydrophobicContact CD2-CG1 3.87Å; L1487-I1535 HydrophobicContact CG-CG1 4.45Å; I1535-I1541 CarbonylContact C-O 3.54Å; I1535-I1541 WeakPolarHBondContact CA-O 3.24Å; I1535-L1542 HydrophobicContact CG1-CD1 4.36Å
1536A57.8Low57.1Low4 Ų432 Ų323%0.03317%0.172CC..EExtended strand (participates in β ladder)trans-139174.6172.800000112.1G1538 G1539 R1540 I1541 V1543A1536-G1538 PolarHBondContact O-N 3.31Å; A1536-G1539 PolarHBondContact O-N 3.01Å; A1536-R1540 PolarHBondContact O-N 2.88Å; A1536-R1540 VanDerWaalsContact O-N 3.09Å; A1536-I1541 HydrophobicContact CB-CB 4.4Å; A1536-I1541 PolarHBondContact N-O 2.87Å; A1536-I1541 PolarHBondContact O-N 3.41Å; A1536-I1541 VanDerWaalsContact O-N 3.13Å; A1536-V1543 HydrophobicContact CB-CG2 4.21Å
1537D55.2Low58.6Low15 Ų1523 Ų238%0.0814%0.139CC..THydrogen-bonded Turntrans43.160.8-174.9-167.435.2000114.6W1480 G1539 R1540 I1541W1480-D1537 VanDerWaalsContact CD1-CB 3.45Å; W1480-D1537 HydrophobicContact CD2-CB 4.06Å; W1480-D1537 HydrophobicContact CG-CB 3.92Å; W1480-D1537 HydrophobicContact CZ2-CB 4.35Å; W1480-D1537 PolarHBondContact NE1-OD1 3.11Å; W1480-D1537 PolarHBondContact NE1-OD2 3.36Å; D1537-G1539 PolarHBondContact O-N 2.85Å; D1537-R1540 HydrophobicContact CB-CB 4.16Å; D1537-R1540 VanDerWaalsContact O-CB 3.29Å; D1537-R1540 WeakPolarHBondContact O-CB 3.35Å; D1537-R1540 VanDerWaalsContact O-CD 3.27Å; D1537-R1540 WeakPolarHBondContact O-CD 3.44Å; D1537-R1540 VanDerWaalsContact O-CG 3.27Å; D1537-R1540 WeakPolarHBondContact O-CG 3.37Å; D1537-R1540 PolarHBondContact O-N 2.72Å; D1537-R1540 VanDerWaalsContact O-N 3.07Å; D1537-R1540 IonicContact OD1-NH1 2.88Å; D1537-R1540 WeakPolarHBondContact OD2-CD 3.39Å; D1537-R1540 IonicContact OD2-CZ 3.66Å; D1537-R1540 IonicContact OD2-NE 3.52Å; D1537-R1540 IonicContact OD2-NH1 3.77Å; D1537-R1540 PolarHBondContact OD2-NH1 2.91Å; D1537-I1541 HydrophobicContact CB-CG1 4.43Å
1538G53.9Low60.1Low20 Ų2020.5 Ų20.521%0.20613%0.128CC..THydrogen-bonded Turntrans62.120.9173.800000115S1001 E1483 A1536S1001-G1538 VanDerWaalsContact CB-O 3.23Å; S1001-G1538 WeakPolarHBondContact CB-O 3.44Å; E1483-G1538 VanDerWaalsContact OE2-CA 3.23Å; E1483-G1538 WeakPolarHBondContact OE2-CA 3.43Å; E1483-G1538 PolarHBondContact OE2-N 3.36Å; A1536-G1538 PolarHBondContact O-N 3.31Å
1539G55.9Low60.9Low1 Ų121.5 Ų21.51%0.0113%0.127CC..THydrogen-bonded Turntrans88.838.3-171.400000113.4W1004 A1536 D1537W1004-G1539 WeakPolarHBondContact CZ2-O 3.37Å; W1004-G1539 PolarHBondContact NE1-O 3.25Å; A1536-G1539 PolarHBondContact O-N 3.01Å; D1537-G1539 PolarHBondContact O-N 2.85Å
1540R61.3Low61.3Low113 Ų11320.9 Ų20.943%0.42612%0.12SC..THydrogen-bonded Turntrans-117.2-18.9175.9-68.1163.6166.4-176-4.3114.2L979 V980 A1536 D1537L979-R1540 WeakPolarHBondContact CB-O 3.44Å; L979-R1540 PolarHBondContact N-O 2.94Å; V980-R1540 HydrophobicContact CG2-CG 4.24Å; A1536-R1540 PolarHBondContact O-N 2.88Å; A1536-R1540 VanDerWaalsContact O-N 3.09Å; D1537-R1540 HydrophobicContact CB-CB 4.16Å; D1537-R1540 VanDerWaalsContact O-CB 3.29Å; D1537-R1540 WeakPolarHBondContact O-CB 3.35Å; D1537-R1540 VanDerWaalsContact O-CD 3.27Å; D1537-R1540 WeakPolarHBondContact O-CD 3.44Å; D1537-R1540 VanDerWaalsContact O-CG 3.27Å; D1537-R1540 WeakPolarHBondContact O-CG 3.37Å; D1537-R1540 PolarHBondContact O-N 2.72Å; D1537-R1540 VanDerWaalsContact O-N 3.07Å; D1537-R1540 IonicContact OD1-NH1 2.88Å; D1537-R1540 WeakPolarHBondContact OD2-CD 3.39Å; D1537-R1540 IonicContact OD2-CZ 3.66Å; D1537-R1540 IonicContact OD2-NE 3.52Å; D1537-R1540 IonicContact OD2-NH1 3.77Å; D1537-R1540 PolarHBondContact OD2-NH1 2.91Å
1541I64.4Low61.2Low13 Ų1324.1 Ų24.17%0.06713%0.13CC..EExtended strand (participates in β ladder)trans-130.1138.9-178.9-55.8-175.6000108.4T976 I977 D978 W1480 I1535 A1536 D1537 V1543T976-I1541 HydrophobicContact CG2-CG2 4.44Å; I977-I1541 CarbonylContact O-C 3.5Å; I977-I1541 WeakPolarHBondContact O-CA 3.16Å; D978-I1541 WeakPolarHBondContact OD1-CD1 3.41Å; D978-I1541 WeakPolarHBondContact OD1-CG1 2.74Å; W1480-I1541 HydrophobicContact CD2-CD1 4.49Å; W1480-I1541 HydrophobicContact CE3-CD1 4.01Å; W1480-I1541 HydrophobicContact CH2-CD1 3.29Å; W1480-I1541 HydrophobicContact CZ2-CD1 3.83Å; W1480-I1541 HydrophobicContact CZ3-CD1 3.4Å; I1535-I1541 CarbonylContact C-O 3.54Å; I1535-I1541 WeakPolarHBondContact CA-O 3.24Å; A1536-I1541 HydrophobicContact CB-CB 4.4Å; A1536-I1541 PolarHBondContact N-O 2.87Å; A1536-I1541 PolarHBondContact O-N 3.41Å; A1536-I1541 VanDerWaalsContact O-N 3.13Å; D1537-I1541 HydrophobicContact CB-CG1 4.43Å; I1541-V1543 HydrophobicContact CG2-CG2 4.31Å
1542L69.1Low60.7Low0 Ų024.5 Ų24.50%013%0.132CC..EExtended strand (participates in β ladder)trans-117.1135.1176.1-176.5135.9000109.6T976 I977 L979 L1026 V1028 L1487 I1533 S1534 I1535 V1544T976-L1542 WeakPolarHBondContact CA-O 3.39Å; I977-L1542 HydrophobicContact CB-CB 4.4Å; I977-L1542 HydrophobicContact CB-CD2 4.46Å; I977-L1542 HydrophobicContact CD1-CD2 3.95Å; I977-L1542 PolarHBondContact N-O 3.03Å; I977-L1542 PolarHBondContact O-N 3.03Å; L979-L1542 HydrophobicContact CD1-CB 4.36Å; L979-L1542 HydrophobicContact CD2-CB 4.25Å; L979-L1542 HydrophobicContact CG-CB 4.34Å; L1026-L1542 HydrophobicContact CD1-CD1 4.46Å; L1026-L1542 HydrophobicContact CD2-CD1 3.78Å; L1026-L1542 HydrophobicContact CD2-CD2 3.39Å; L1026-L1542 HydrophobicContact CD2-CG 4.22Å; V1028-L1542 HydrophobicContact CG2-CD1 4.39Å; L1487-L1542 HydrophobicContact CD1-CD1 3.9Å; I1533-L1542 HydrophobicContact CG2-CD1 3.79Å; I1533-L1542 HydrophobicContact CG2-CD2 3.66Å; I1533-L1542 HydrophobicContact CG2-CG 3.66Å; S1534-L1542 CarbonylContact O-C 3.56Å; S1534-L1542 VanDerWaalsContact O-CA 3.32Å; S1534-L1542 WeakPolarHBondContact O-CA 3.33Å; I1535-L1542 HydrophobicContact CG1-CD1 4.36Å; L1542-V1544 HydrophobicContact CD2-CG2 3.56Å
1543V67.5Low59.4Low2 Ų232.1 Ų32.11%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-123.7104.1-161.1-179.40000107.8P974 L975 T976 I1533 S1534 A1536 I1541P974-V1543 HydrophobicContact CB-CG1 3.4Å; P974-V1543 VanDerWaalsContact CB-CG1 3.4Å; P974-V1543 HydrophobicContact CG-CG1 3.76Å; L975-V1543 WeakPolarHBondContact O-CA 3.45Å; T976-V1543 HydrophobicContact CG2-CG2 4.44Å; I1533-V1543 CarbonylContact C-O 3.6Å; I1533-V1543 WeakPolarHBondContact CA-O 3.39Å; S1534-V1543 PolarHBondContact N-O 3.3Å; S1534-V1543 PolarHBondContact O-N 3.33Å; A1536-V1543 HydrophobicContact CB-CG2 4.21Å; I1541-V1543 HydrophobicContact CG2-CG2 4.31Å
1544V69.3Low59.2Low1 Ų133.8 Ų33.81%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-102.3135.1-174.5-168.60000110.7P974 L975 I977 A1050 Y1531 I1533 L1542P974-V1544 WeakPolarHBondContact CA-O 3.4Å; L975-V1544 HydrophobicContact CB-CB 4.18Å; L975-V1544 HydrophobicContact CD2-CB 4.28Å; L975-V1544 PolarHBondContact N-O 3.48Å; L975-V1544 PolarHBondContact O-N 3.39Å; I977-V1544 HydrophobicContact CD1-CG2 3.95Å; A1050-V1544 HydrophobicContact CB-CG1 4.27Å; Y1531-V1544 HydrophobicContact CD1-CG1 3.95Å; Y1531-V1544 HydrophobicContact CG-CG1 4.1Å; I1533-V1544 HydrophobicContact CG1-CB 4.44Å; I1533-V1544 HydrophobicContact CG1-CG1 3.93Å; I1533-V1544 HydrophobicContact CG1-CG2 4.17Å; I1533-V1544 HydrophobicContact CG2-CG2 4.5Å; L1542-V1544 HydrophobicContact CD2-CG2 3.56Å
1545V66.7Low59.1Low1 Ų135.4 Ų35.41%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-136.6105.3-169.4-1700000110V972 P974 L1454 Y1531 V1532 V1547V972-V1545 HydrophobicContact CB-CG1 4.43Å; V972-V1545 HydrophobicContact CG1-CG1 3.85Å; P974-V1545 HydrophobicContact CB-CG2 4.13Å; L1454-V1545 HydrophobicContact CD1-CG2 3.91Å; L1454-V1545 HydrophobicContact CD2-CB 4.32Å; L1454-V1545 HydrophobicContact CD2-CG1 3.71Å; L1454-V1545 HydrophobicContact CD2-CG2 3.6Å; L1454-V1545 HydrophobicContact CG-CG2 4.36Å; Y1531-V1545 CarbonylContact C-O 3.56Å; Y1531-V1545 VanDerWaalsContact CA-O 3.29Å; Y1531-V1545 WeakPolarHBondContact CA-O 3.47Å; V1532-V1545 HydrophobicContact CB-CB 4.32Å; V1532-V1545 PolarHBondContact N-O 3.35Å; V1532-V1545 WeakPolarHBondContact O-CB 3.26Å; V1532-V1545 PolarHBondContact O-N 3.18Å; V1545-V1547 PolarHBondContact O-N 3.13Å
1546P64.4Low58.8Low34 Ų3436.7 Ų36.722%0.22120%0.197CC..EExtended strand (participates in β ladder)trans-62.4120.717915.8-24.8000112.1Y1531 S1548 T1549Y1531-P1546 HydrophobicContact CD1-CB 3.63Å; Y1531-P1546 HydrophobicContact CD1-CG 4.25Å; Y1531-P1546 HydrophobicContact CE1-CB 3.77Å; Y1531-P1546 HydrophobicContact CE1-CG 4.37Å; Y1531-P1546 HydrophobicContact CG-CB 4.48Å; P1546-S1548 PolarHBondContact O-N 2.75Å; P1546-T1549 HydrophobicContact CB-CG2 4.43Å; P1546-T1549 HydrophobicContact CG-CG2 3.93Å; P1546-T1549 WeakPolarHBondContact O-CB 3.47Å; P1546-T1549 PolarHBondContact O-N 2.92Å; P1546-T1549 PolarHBondContact O-OG1 3.39Å
1547V62.7Low58.9Low13 Ų1338.6 Ų38.68%0.07921%0.207CC..G310 helixtrans-60-24.4177.6178.40000111.5V1426 S1530 V1532 V1545 T1549 I1550 F1552V1426-V1547 HydrophobicContact CG1-CG1 4.25Å; S1530-V1547 WeakPolarHBondContact O-CA 3.15Å; S1530-V1547 WeakPolarHBondContact O-CB 3.33Å; S1530-V1547 WeakPolarHBondContact O-CG2 3.27Å; S1530-V1547 PolarHBondContact O-N 3.24Å; V1532-V1547 HydrophobicContact CG2-CG2 3.66Å; V1545-V1547 PolarHBondContact O-N 3.13Å; V1547-T1549 PolarHBondContact O-N 3.23Å; V1547-T1549 VanDerWaalsContact O-N 3.16Å; V1547-I1550 CarbonylContact O-C 3.57Å; V1547-I1550 VanDerWaalsContact O-C 3.24Å; V1547-I1550 VanDerWaalsContact O-CA 3.25Å; V1547-I1550 WeakPolarHBondContact O-CA 3.3Å; V1547-I1550 WeakPolarHBondContact O-CB 3.21Å; V1547-I1550 PolarHBondContact O-N 3.16Å; V1547-F1552 HydrophobicContact CG1-CE2 4.08Å
1548S59.3Low59.1Low81 Ų8140.1 Ų40.157%0.56622%0.215SC*.G310 helixtrans-58.7-23.4172.154.20000113.7P1546P1546-S1548 PolarHBondContact O-N 2.75Å
1549T56.8Low59.4Low54 Ų5441.4 Ų41.433%0.33122%0.215SC..G310 helixtrans-78.3-29169.6680000112.3V972 P1546 V1547 K1551V972-T1549 HydrophobicContact CG1-CG2 4.24Å; V972-T1549 WeakPolarHBondContact CG2-OG1 3.4Å; P1546-T1549 HydrophobicContact CB-CG2 4.43Å; P1546-T1549 HydrophobicContact CG-CG2 3.93Å; P1546-T1549 WeakPolarHBondContact O-CB 3.47Å; P1546-T1549 PolarHBondContact O-N 2.92Å; P1546-T1549 PolarHBondContact O-OG1 3.39Å; V1547-T1549 PolarHBondContact O-N 3.23Å; V1547-T1549 VanDerWaalsContact O-N 3.16Å; T1549-K1551 PolarHBondContact O-N 3.24Å
1550I56.3Low59.7Low3 Ų344.3 Ų44.32%0.01523%0.23CC..SBendtrans-82.460.8172.8-40.4175.6000108.4L1438 V1440 V1452 V1532 V1547 F1552L1438-I1550 HydrophobicContact CD2-CD1 3.58Å; V1440-I1550 HydrophobicContact CG2-CG2 4.01Å; V1452-I1550 HydrophobicContact CG2-CG1 4.32Å; V1452-I1550 HydrophobicContact CG2-CG2 4.3Å; V1532-I1550 HydrophobicContact CG2-CD1 3.98Å; V1547-I1550 CarbonylContact O-C 3.57Å; V1547-I1550 VanDerWaalsContact O-C 3.24Å; V1547-I1550 VanDerWaalsContact O-CA 3.25Å; V1547-I1550 WeakPolarHBondContact O-CA 3.3Å; V1547-I1550 WeakPolarHBondContact O-CB 3.21Å; V1547-I1550 PolarHBondContact O-N 3.16Å; I1550-F1552 HydrophobicContact CB-CZ 4.38Å; I1550-F1552 HydrophobicContact CG2-CE1 3.84Å; I1550-F1552 HydrophobicContact CG2-CZ 3.76Å; I1550-F1552 WeakPolarHBondContact O-CD2 3.04Å; I1550-F1552 WeakPolarHBondContact O-CE2 3.49Å; I1550-F1552 PolarHBondContact O-N 3.5Å
1551K52.6Low59.6Low102 Ų10239 Ų3944%0.44322%0.215SC..  trans-58.3139.7172.9-74.7-154.8162.8-169.80110.1H796 R1450 T1549H796-K1551 VanDerWaalsContact NE2-CE 3.26Å; H796-K1551 WeakPolarHBondContact NE2-CE 3.45Å; H796-K1551 PolarHBondContact NE2-NZ 3.44Å; R1450-K1551 WeakPolarHBondContact CD-O 3.49Å; R1450-K1551 PolarHBondContact NH1-O 2.89Å; T1549-K1551 PolarHBondContact O-N 3.24Å
1552F49.1Very low59.2Low40 Ų4041.2 Ų41.218%0.17523%0.227CC..  trans-107.6114.3175.8-61.5-68.4000108.1V1426 D1427 R1429 V1440 V1547 I1550V1426-F1552 HydrophobicContact CB-CE2 3.84Å; V1426-F1552 HydrophobicContact CB-CZ 3.85Å; V1426-F1552 HydrophobicContact CG1-CD2 4.35Å; V1426-F1552 HydrophobicContact CG1-CE2 3.51Å; V1426-F1552 HydrophobicContact CG1-CZ 4.05Å; D1427-F1552 WeakPolarHBondContact OD2-CD2 3.31Å; R1429-F1552 VanDerWaalsContact CD-CD1 3.49Å; V1440-F1552 HydrophobicContact CG1-CD1 4.21Å; V1440-F1552 HydrophobicContact CG1-CE1 3.76Å; V1440-F1552 HydrophobicContact CG2-CE1 4.01Å; V1547-F1552 HydrophobicContact CG1-CE2 4.08Å; I1550-F1552 HydrophobicContact CB-CZ 4.38Å; I1550-F1552 HydrophobicContact CG2-CE1 3.84Å; I1550-F1552 HydrophobicContact CG2-CZ 3.76Å; I1550-F1552 WeakPolarHBondContact O-CD2 3.04Å; I1550-F1552 WeakPolarHBondContact O-CE2 3.49Å; I1550-F1552 PolarHBondContact O-N 3.5Å
1553D36.3Very low58.3Low163 Ų16344.9 Ų44.987%0.87225%0.248SC*.  trans-78.20167.7-45.5-26.6000109.5R1429 R1450R1429-D1553 PolarHBondContact NH1-O 3.26Å; R1429-D1553 PolarHBondContact NH2-O 3.2Å; R1450-D1553 IonicContact CZ-OD1 2.71Å; R1450-D1553 IonicContact CZ-OD2 3.43Å; R1450-D1553 IonicContact NE-OD2 3.13Å; R1450-D1553 IonicContact NH1-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD1 2.95Å; R1450-D1553 PolarHBondContact NH2-OD1 3.47Å; R1450-D1553 IonicContact NH2-OD2 2.75Å; R1450-D1553 PolarHBondContact NH2-OD2 3.24Å

Retrieved 1,553 of 1,553 residues in 611.3 ms (Link to these results)