A0A087Y0A2_POEFO Loading...

Y box binding protein 1

AlphaFold DB , UniProt , Accession A0A087Y0A2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.2Very low54.6Low235 Ų235153.6 Ų153.6100%1.15884%0.837SS**  086.20-67.8178.6162.300105
2S50.1Low54.4Low116 Ų116151.6 Ų151.681%0.81184%0.837SS**  78.6135.190.5-62.20000111.2
3S50.2Low54.9Low106 Ų106153.8 Ų153.874%0.74184%0.838SS**  trans102126.2170.975.10000114.9
4E57.4Low54.4Low189 Ų189151.3 Ų151.388%0.88383%0.833SS**  cis-161.7148.45.3-109.6160.3131.700107.5
5A56.4Low54.1Low97 Ų97147.3 Ų147.380%0.80283%0.828SS**  trans-90.1126.7176.400000109.5
6E53.6Low53.8Low174 Ų174144.2 Ų144.281%0.81383%0.826SS**  trans-122.1102.4165-159.5173.8124.700108.5
7T53.3Low53.4Low128 Ų128145 Ų14579%0.78583%0.828SS**  trans-89.9103.7175.3-62.10000107.9
8Q61.9Low53Low169 Ų169142.4 Ų142.479%0.7983%0.827SS**  trans-88111.1172.8-152.2165.775.900109
9Q50.6Low52.4Low183 Ų183144.6 Ų144.686%0.85583%0.828SS**PPolyproline II helixtrans-68.5123176.3-85.3168.4-29.100111.4
10Q58.4Low52.1Low182 Ų182142.5 Ų142.585%0.8582%0.823SS**PPolyproline II helixtrans-85.1143.8160.3-88.1179-10.700110.6
11P63.7Low52Low111 Ų111141.6 Ų141.672%0.72182%0.822SS**PPolyproline II helixtrans-75.4147174.531-33.7000111.8Q13P11-Q13 PolarHBondContact O-N 2.79Å
12P52.4Low51.8Low129 Ų129135.1 Ų135.184%0.83880%0.8SS**PPolyproline II helixtrans-73.1127.9174.529.3-32.4000110.9
13Q60.1Low52Low180 Ų180135.4 Ų135.484%0.84180%0.802SS**PPolyproline II helixtrans-66147.3169.7-66.1-114.5-20.300110.8P11 A15P11-Q13 PolarHBondContact O-N 2.79Å; Q13-A15 PolarHBondContact O-N 3.37Å
14P48.6Very low52.1Low119 Ų119136 Ų13677%0.77380%0.803SS**PPolyproline II helixtrans-70.4129.4178.729.2-32.8000110.6A16P14-A16 PolarHBondContact O-N 3.18Å; P14-A16 VanDerWaalsContact O-N 3.15Å
15A49.3Very low51.4Low91 Ų91131.4 Ų131.475%0.75280%0.797SS**PPolyproline II helixtrans-58.2116.417200000109.8Q13 D17Q13-A15 PolarHBondContact O-N 3.37Å; A15-D17 PolarHBondContact O-N 3.22Å
16A49.4Very low50.8Low98 Ų98132.3 Ų132.381%0.8181%0.805SS**  trans-67.8111.8162.100000107.7P14 A18P14-A16 PolarHBondContact O-N 3.18Å; P14-A16 VanDerWaalsContact O-N 3.15Å; A16-A18 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact O-N 3.08Å
17D46.8Very low50.3Low158 Ų158128.2 Ų128.285%0.84580%0.801SS**  trans-56110.3168.8-76.2-65.6000109.4A15 E19A15-D17 PolarHBondContact O-N 3.22Å; D17-E19 PolarHBondContact O-N 2.65Å
18A46.8Very low49.9Very low98 Ų98127.1 Ų127.181%0.8180%0.804SS**  trans-70.885.9166.800000108.7A16 S20A16-A18 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact O-N 3.08Å; A18-S20 PolarHBondContact O-N 2.74Å
19E41.2Very low49.1Very low184 Ų184124.2 Ų124.286%0.8680%0.803SS**  trans-65.799.9169.1-156.4173.6-171.900108.4D17 P21D17-E19 PolarHBondContact O-N 2.65Å; E19-P21 WeakPolarHBondContact O-CD 3.24Å
20S47.1Very low49.2Very low102 Ų102120.2 Ų120.271%0.71380%0.801SS**  trans-60.7122.8168.4-63.20000108.6A18 S22A18-S20 PolarHBondContact O-N 2.74Å; S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 2.87Å
21P49.1Very low49Very low124 Ų124113.7 Ų113.781%0.80578%0.783SS**  trans-71.795.6174.928.4-32.2000108.7E19 S23E19-P21 WeakPolarHBondContact O-CD 3.24Å; P21-S23 PolarHBondContact O-N 3.14Å; P21-S23 VanDerWaalsContact O-N 3.12Å
22S42.5Very low49.2Very low99 Ų99116.7 Ų116.769%0.69279%0.793SS**  trans-61.8106.3163.254.80000108S20 P24S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 2.87Å; S22-P24 WeakPolarHBondContact O-CD 3.42Å; S22-P24 VanDerWaalsContact O-CG 3.24Å; S22-P24 WeakPolarHBondContact O-CG 3.4Å
23S53.5Low50.6Low123 Ų123114.4 Ų114.486%0.8677%0.769SS**  trans-57.9115.9175.4-64.20000112.1P21P21-S23 PolarHBondContact O-N 3.14Å; P21-S23 VanDerWaalsContact O-N 3.12Å
24P52.3Low52.1Low119 Ų119112.7 Ų112.777%0.77376%0.759SS**  trans-129.467.6170.232.4-6.5000108.5S22S22-P24 WeakPolarHBondContact O-CD 3.42Å; S22-P24 VanDerWaalsContact O-CG 3.24Å; S22-P24 WeakPolarHBondContact O-CG 3.4Å
25A42.7Very low54.2Low91 Ų91110.8 Ų110.875%0.75275%0.746SS**  trans-158.275.5-178.600000112.6
26A42.8Very low56.3Low116 Ų116110.9 Ų110.996%0.95973%0.732SS**SBendtrans-115.521.7161.300000111.6
27A44.3Very low58.3Low88 Ų88107.3 Ų107.373%0.72770%0.703SS**SBendtrans-122.9126168.500000107
28A44Very low60.5Low105 Ų105104.3 Ų104.387%0.86869%0.69SS**  trans75.269.4177.600000116.7
29S45.7Very low62.7Low108 Ų108106.8 Ų106.876%0.75568%0.683SS**  trans-115.159.2139.460.20000109.3G31S29-G31 PolarHBondContact O-N 3.47Å
30A52.6Low65.2Low100 Ų10098.3 Ų98.383%0.82664%0.644SS**  trans-73.960.3146.600000106.8
31G53.6Low67.5Low44 Ų4497.1 Ų97.145%0.45463%0.629SS.*  trans-63151.8162.800000107.1S29 K33S29-G31 PolarHBondContact O-N 3.47Å; G31-K33 PolarHBondContact O-N 2.89Å
32D69.4Low69.8Low175 Ų17591.2 Ų91.294%0.93659%0.59SS**  trans-62.974.4179.7-57.1-62.9000110.4K34D32-K34 PolarHBondContact O-N 2.67Å
33K81.8Confident72.3Confident80 Ų8088.8 Ų88.835%0.34857%0.572SS.*PPolyproline II helixtrans-68.4129.3172.9-68.6-177.3179.4-179.20106.7G31 V35 V95 E102G31-K33 PolarHBondContact O-N 2.89Å; K33-V35 PolarHBondContact O-N 2.79Å; K33-V35 VanDerWaalsContact O-N 3.14Å; K33-V95 HydrophobicContact CB-CB 4.1Å; K33-V95 HydrophobicContact CB-CG2 4.38Å; K33-V95 HydrophobicContact CD-CG2 4.18Å; K33-E102 IonicContact NZ-OE1 3.71Å; K33-E102 IonicContact NZ-OE2 2.69Å; K33-E102 PolarHBondContact NZ-OE2 2.77Å
34K91.3Very high74.4Confident144 Ų14483 Ų8363%0.62653%0.531SS*.PPolyproline II helixtrans-59.8118.4-178.7-176.8160.2167.8-830109.7D32 I36 V95 E96D32-K34 PolarHBondContact O-N 2.67Å; K34-I36 PolarHBondContact O-N 2.81Å; K34-V95 CarbonylContact O-C 3.6Å; K34-V95 WeakPolarHBondContact O-CA 3.38Å; K34-E96 HydrophobicContact CB-CB 4.3Å; K34-E96 IonicContact NZ-OE2 3.94Å; K34-E96 PolarHBondContact O-N 3.45Å
35V92.2Very high76.5Confident80 Ų8082.9 Ų82.949%0.48552%0.518SS..EExtended strand (participates in β ladder)trans-78.7119177-173.50000108.2K33 A37 T38 V94 V95K33-V35 PolarHBondContact O-N 2.79Å; K33-V35 VanDerWaalsContact O-N 3.14Å; V35-A37 WeakPolarHBondContact CG1-O 3.37Å; V35-T38 HydrophobicContact CG1-CG2 3.61Å; V35-V94 CarbonylContact C-O 3.48Å; V35-V95 HydrophobicContact CB-CG1 4.48Å; V35-V95 HydrophobicContact CG2-CG1 4.04Å
36I92.3Very high79.1Confident93 Ų9383.1 Ų83.148%0.47750%0.5SS..EExtended strand (participates in β ladder)trans-86.5-41.5-179.8-55.4167.9000109.9K34 V94 E96K34-I36 PolarHBondContact O-N 2.81Å; I36-V94 HydrophobicContact CB-CB 4.4Å; I36-V94 HydrophobicContact CB-CG1 4.26Å; I36-V94 HydrophobicContact CD1-CG1 4.2Å; I36-V94 PolarHBondContact N-O 3.5Å; I36-E96 HydrophobicContact CD1-CB 4.05Å; I36-E96 HydrophobicContact CG1-CB 4.35Å
37A91.8Very high81.6Confident22 Ų2278 Ų7818%0.18246%0.456CS..EExtended strand (participates in β ladder)trans-148151.9178.100000110.5V35 V40 D93 V94V35-A37 WeakPolarHBondContact CG1-O 3.37Å; A37-V40 HydrophobicContact CB-CG2 3.62Å; A37-D93 CarbonylContact O-C 3.53Å; A37-D93 WeakPolarHBondContact O-CA 3.44Å; A37-V94 HydrophobicContact CB-CB 4.12Å; A37-V94 HydrophobicContact CB-CG2 4.11Å; A37-V94 PolarHBondContact N-O 2.75Å; A37-V94 PolarHBondContact O-N 3.43Å
38T93.5Very high84.1Confident95 Ų9576.7 Ų76.758%0.58344%0.437SS*.EExtended strand (participates in β ladder)trans-119.1147.7179.156.70000111V35 V40 D93V35-T38 HydrophobicContact CG1-CG2 3.61Å; T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 3.39Å; T38-D93 VanDerWaalsContact CA-OD1 3.24Å; T38-D93 WeakPolarHBondContact CA-OD1 3.03Å
39K92.8Very high86.5Confident150 Ų15072.9 Ų72.965%0.65240%0.403SS*.EExtended strand (participates in β ladder)trans49.542.3174.1-58.6-177.5-179.3175.60114.3E91 F92 D93K39-E91 HydrophobicContact CB-CG 4.28Å; K39-F92 CarbonylContact C-O 3.54Å; K39-F92 PolarHBondContact N-O 2.95Å; K39-D93 PolarHBondContact N-OD1 3.4Å
40V94.8Very high88.8Confident7 Ų778.8 Ų78.84%0.04241%0.408CS..EExtended strand (participates in β ladder)trans-78.5139.3177.3177.70000109.6A37 T38 R58 D60 E91 F92 V94A37-V40 HydrophobicContact CB-CG2 3.62Å; T38-V40 VanDerWaalsContact C-N 3.25Å; T38-V40 PolarHBondContact O-N 3.39Å; V40-R58 HydrophobicContact CG1-CG 4.1Å; V40-D60 WeakPolarHBondContact CG1-OD2 3.45Å; V40-E91 WeakPolarHBondContact O-CA 3.31Å; V40-F92 HydrophobicContact CG1-CZ 4.37Å; V40-F92 PolarHBondContact N-O 2.85Å; V40-F92 WeakPolarHBondContact O-CD1 3.38Å; V40-F92 PolarHBondContact O-N 2.82Å; V40-V94 HydrophobicContact CG2-CG2 4.24Å
41L95.6Very high90.8Very high76 Ų7677.5 Ų77.540%0.39839%0.388SS..EExtended strand (participates in β ladder)trans-90.2138.3170.6-64.2177.4000110.7N59 V90 E91L41-N59 PolarHBondContact O-N 2.85Å; L41-N59 VanDerWaalsContact O-N 3.12Å; L41-V90 WeakPolarHBondContact CA-O 3.19Å; L41-E91 HydrophobicContact CD2-CB 3.85Å; L41-E91 HydrophobicContact CD2-CG 4.14Å
42G96.1Very high92.8Very high0 Ų075.5 Ų75.50%037%0.367CS..EExtended strand (participates in β ladder)trans-153.1165.1174.500000112.3N57 T89 V90G42-N57 CarbonylContact C-O 3.59Å; G42-N57 WeakPolarHBondContact CA-O 3.48Å; G42-T89 CarbonylContact O-C 3.59Å; G42-T89 WeakPolarHBondContact O-CA 3.19Å; G42-V90 PolarHBondContact N-O 3.16Å; G42-V90 PolarHBondContact O-N 3.47Å
43T96.2Very high94Very high49 Ų4971.2 Ų71.230%0.30134%0.338SS..EExtended strand (participates in β ladder)trans-106.2127.2178.9-51.50000109K45 N57 N59T43-K45 PolarHBondContact O-N 3.49Å; T43-K45 VanDerWaalsContact O-N 3.16Å; T43-N57 PolarHBondContact N-O 3.33Å; T43-N57 PolarHBondContact O-N 2.85Å; T43-N59 PolarHBondContact OG1-OD1 2.95Å
44V96.8Very high94.7Very high2 Ų267.4 Ų67.41%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-64.9118.5178.5178.40000109F47 I56 V84 G85 G87 E88 V90V44-F47 HydrophobicContact CG1-CB 4.4Å; V44-I56 HydrophobicContact CG2-CG1 4.19Å; V44-V84 HydrophobicContact CG1-CG2 3.75Å; V44-V84 HydrophobicContact CG2-CB 4Å; V44-V84 HydrophobicContact CG2-CG2 3.92Å; V44-G85 WeakPolarHBondContact CB-O 3.46Å; V44-G85 VanDerWaalsContact CG1-O 3.31Å; V44-G85 WeakPolarHBondContact CG1-O 3.28Å; V44-G87 WeakPolarHBondContact O-CA 3.38Å; V44-G87 PolarHBondContact O-N 3.05Å; V44-E88 HydrophobicContact CG2-CB 4.32Å; V44-E88 WeakPolarHBondContact CG2-O 3.5Å; V44-E88 PolarHBondContact N-O 3.38Å; V44-V90 HydrophobicContact CG2-CG1 4.04Å; V44-V90 HydrophobicContact CG2-CG2 3.94Å
45K96.1Very high95Very high116 Ų11663.5 Ų63.550%0.50431%0.305SS..EExtended strand (participates in β ladder)trans-72.4-50.1178.4-166.8-176.2-173.91700110.3T43 F55 D64T43-K45 PolarHBondContact O-N 3.49Å; T43-K45 VanDerWaalsContact O-N 3.16Å; K45-F55 HydrophobicContact CB-CB 4.49Å; K45-F55 WeakPolarHBondContact CB-O 3.14Å; K45-F55 PolarHBondContact N-O 3.15Å; K45-D64 IonicContact NZ-OD1 3.87Å; K45-D64 IonicContact NZ-OD2 2.69Å; K45-D64 PolarHBondContact NZ-OD2 3.02Å
46W96.6Very high95.2Very high95 Ų9559.7 Ų59.736%0.3628%0.282SS..EExtended strand (participates in β ladder)trans-164.7154173.855.5-95.3000110.4N48 Y53 G54 F55 D86W46-N48 HydrophobicContact CZ3-CB 4.3Å; W46-Y53 AromaticContact CH2-CD2 3.85Å; W46-Y53 HydrophobicContact CH2-CD2 3.85Å; W46-Y53 AromaticContact CH2-CE2 3.65Å; W46-Y53 HydrophobicContact CH2-CE2 3.65Å; W46-Y53 AromaticContact CZ3-CD2 3.83Å; W46-Y53 HydrophobicContact CZ3-CD2 3.83Å; W46-Y53 AromaticContact CZ3-CE2 3.81Å; W46-Y53 HydrophobicContact CZ3-CE2 3.81Å; W46-G54 CarbonylContact O-C 3.58Å; W46-G54 WeakPolarHBondContact O-CA 3.47Å; W46-F55 AromaticContact CE2-CD2 3.66Å; W46-F55 AromaticContact CH2-CD2 3.58Å; W46-F55 HydrophobicContact CH2-CD2 3.58Å; W46-F55 AromaticContact CH2-CE2 3.7Å; W46-F55 HydrophobicContact CH2-CE2 3.7Å; W46-F55 AromaticContact CZ2-CD2 3.15Å; W46-F55 HydrophobicContact CZ2-CD2 3.15Å; W46-F55 AromaticContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CE2 3.46Å; W46-F55 VanDerWaalsContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CG 4.32Å; W46-F55 HydrophobicContact CZ3-CD2 4.46Å; W46-F55 PolarHBondContact N-O 3.13Å; W46-F55 PolarHBondContact O-N 3.33Å; W46-D86 WeakPolarHBondContact CA-OD1 3.37Å
47F96.8Very high95.4Very high8 Ų857.6 Ų57.64%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-138.3122.9172.2-174.5-92.9000112.3V44 V49 V67 Q69 I72 V84 D86V44-F47 HydrophobicContact CG1-CB 4.4Å; F47-V49 HydrophobicContact CD1-CG2 4.06Å; F47-V49 HydrophobicContact CE1-CG2 4.28Å; F47-V49 PolarHBondContact O-N 3.12Å; F47-V67 HydrophobicContact CD2-CG1 4.36Å; F47-Q69 HydrophobicContact CZ-CB 4.26Å; F47-I72 HydrophobicContact CZ-CD1 4.45Å; F47-V84 HydrophobicContact CB-CG2 3.57Å; F47-V84 HydrophobicContact CD1-CG2 4.38Å; F47-V84 HydrophobicContact CD2-CG2 3.53Å; F47-V84 HydrophobicContact CE2-CG2 4.3Å; F47-V84 HydrophobicContact CG-CG2 3.57Å; F47-D86 PolarHBondContact N-OD1 2.83Å
48N96.4Very high95.6Very high61 Ų6157.7 Ų57.733%0.32627%0.267SS..EExtended strand (participates in β ladder)trans-89104.3176-172.4-30.8000110.2W46 R50 N51 G52 Y53W46-N48 HydrophobicContact CZ3-CB 4.3Å; N48-R50 VanDerWaalsContact C-N 3.25Å; N48-R50 PolarHBondContact O-N 3.34Å; N48-R50 WeakPolarHBondContact OD1-CB 3.36Å; N48-R50 PolarHBondContact OD1-N 2.79Å; N48-N51 HydrophobicContact CB-CB 4.33Å; N48-N51 PolarHBondContact ND2-ND2 2.95Å; N48-N51 PolarHBondContact O-N 2.79Å; N48-N51 PolarHBondContact OD1-N 3.38Å; N48-N51 VanDerWaalsContact OD1-N 3.16Å; N48-G52 WeakPolarHBondContact O-CA 3.38Å; N48-G52 PolarHBondContact O-N 2.99Å; N48-Y53 PolarHBondContact N-O 2.99Å; N48-Y53 PolarHBondContact O-N 3.29Å
49V94.5Very high95.4Very high25 Ų2557 Ų5715%0.15226%0.26CS..THydrogen-bonded Turntrans-61.9-30.9180-176.30000113.2F47 L81 S117 A120F47-V49 HydrophobicContact CD1-CG2 4.06Å; F47-V49 HydrophobicContact CE1-CG2 4.28Å; F47-V49 PolarHBondContact O-N 3.12Å; V49-L81 HydrophobicContact CG1-CD1 3.7Å; V49-S117 VanDerWaalsContact CG2-OG 3.32Å; V49-S117 WeakPolarHBondContact CG2-OG 3.45Å; V49-A120 HydrophobicContact CG1-CB 4.1Å; V49-A120 HydrophobicContact CG2-CB 4.46Å
50R93.3Very high95.2Very high233 Ų23355.1 Ų55.188%0.87926%0.256SS*.THydrogen-bonded Turntrans-72.1-42.2-179.3-176.3179.1-179.5-175-1111.1N48N48-R50 VanDerWaalsContact C-N 3.25Å; N48-R50 PolarHBondContact O-N 3.34Å; N48-R50 WeakPolarHBondContact OD1-CB 3.36Å; N48-R50 PolarHBondContact OD1-N 2.79Å
51N94.9Very high94.9Very high73 Ų7357.9 Ų57.939%0.3927%0.274SS..THydrogen-bonded Turntrans-88.4-18.8-178.8-58.7-5.8000112.5N48 Y53N48-N51 HydrophobicContact CB-CB 4.33Å; N48-N51 PolarHBondContact ND2-ND2 2.95Å; N48-N51 PolarHBondContact O-N 2.79Å; N48-N51 PolarHBondContact OD1-N 3.38Å; N48-N51 VanDerWaalsContact OD1-N 3.16Å; N51-Y53 HydrophobicContact CB-CD1 3.5Å; N51-Y53 VanDerWaalsContact CB-CD1 3.5Å; N51-Y53 HydrophobicContact CB-CE1 3.18Å; N51-Y53 HydrophobicContact CB-CG 4.42Å; N51-Y53 PolarHBondContact ND2-OH 2.71Å
52G95.2Very high94.7Very high1 Ų162.1 Ų62.11%0.0129%0.289CS..THydrogen-bonded Turntrans76.422.2178.300000114.3N48 H68 Q69N48-G52 WeakPolarHBondContact O-CA 3.38Å; N48-G52 PolarHBondContact O-N 2.99Å; G52-H68 CarbonylContact O-C 3.52Å; G52-H68 PolarHBondContact O-CD2 2.86Å; G52-H68 VanDerWaalsContact O-CD2 3.31Å; G52-Q69 WeakPolarHBondContact O-CB 3.42Å; G52-Q69 PolarHBondContact O-N 2.87Å
53Y95.9Very high94.5Very high86 Ų8667.2 Ų67.234%0.33731%0.313SS..EExtended strand (participates in β ladder)trans-137.4161.8177.566-102.8000112.3W46 N48 N51 F66 V67W46-Y53 AromaticContact CH2-CD2 3.85Å; W46-Y53 HydrophobicContact CH2-CD2 3.85Å; W46-Y53 AromaticContact CH2-CE2 3.65Å; W46-Y53 HydrophobicContact CH2-CE2 3.65Å; W46-Y53 AromaticContact CZ3-CD2 3.83Å; W46-Y53 HydrophobicContact CZ3-CD2 3.83Å; W46-Y53 AromaticContact CZ3-CE2 3.81Å; W46-Y53 HydrophobicContact CZ3-CE2 3.81Å; N48-Y53 PolarHBondContact N-O 2.99Å; N48-Y53 PolarHBondContact O-N 3.29Å; N51-Y53 HydrophobicContact CB-CD1 3.5Å; N51-Y53 VanDerWaalsContact CB-CD1 3.5Å; N51-Y53 HydrophobicContact CB-CE1 3.18Å; N51-Y53 HydrophobicContact CB-CG 4.42Å; N51-Y53 PolarHBondContact ND2-OH 2.71Å; Y53-F66 HydrophobicContact CD2-CE2 4.29Å; Y53-F66 HydrophobicContact CG-CE2 4.2Å; Y53-V67 CarbonylContact C-O 3.56Å; Y53-V67 VanDerWaalsContact CA-O 3.25Å; Y53-V67 WeakPolarHBondContact CA-O 3.01Å
54G96.3Very high94.5Very high0 Ų068 Ų680%032%0.315CS..EExtended strand (participates in β ladder)trans-162.9-169.5179.800000112.2W46 V67W46-G54 CarbonylContact O-C 3.58Å; W46-G54 WeakPolarHBondContact O-CA 3.47Å; G54-V67 PolarHBondContact N-O 2.8Å; G54-V67 WeakPolarHBondContact O-CG1 3.4Å; G54-V67 PolarHBondContact O-N 2.98Å
55F96.9Very high94.4Very high62 Ų6267.9 Ų67.927%0.27232%0.315SS..EExtended strand (participates in β ladder)trans-132144.3172.8-72.6-97.3000110.7K45 W46 D64 V65 F66K45-F55 HydrophobicContact CB-CB 4.49Å; K45-F55 WeakPolarHBondContact CB-O 3.14Å; K45-F55 PolarHBondContact N-O 3.15Å; W46-F55 AromaticContact CE2-CD2 3.66Å; W46-F55 AromaticContact CH2-CD2 3.58Å; W46-F55 HydrophobicContact CH2-CD2 3.58Å; W46-F55 AromaticContact CH2-CE2 3.7Å; W46-F55 HydrophobicContact CH2-CE2 3.7Å; W46-F55 AromaticContact CZ2-CD2 3.15Å; W46-F55 HydrophobicContact CZ2-CD2 3.15Å; W46-F55 AromaticContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CE2 3.46Å; W46-F55 VanDerWaalsContact CZ2-CE2 3.46Å; W46-F55 HydrophobicContact CZ2-CG 4.32Å; W46-F55 HydrophobicContact CZ3-CD2 4.46Å; W46-F55 PolarHBondContact N-O 3.13Å; W46-F55 PolarHBondContact O-N 3.33Å; F55-D64 HydrophobicContact CD1-CB 4.09Å; F55-V65 WeakPolarHBondContact CA-O 3.27Å; F55-F66 HydrophobicContact CE1-CB 4.15Å; F55-F66 HydrophobicContact CE1-CD2 4.31Å; F55-F66 HydrophobicContact CE2-CD2 4.35Å; F55-F66 HydrophobicContact CZ-CD2 4.04Å
56I96.8Very high94.5Very high0 Ų064.7 Ų64.70%030%0.301CS..EExtended strand (participates in β ladder)trans-116.1128.3174.8-56.2166.2000107.1V44 V65 V67 V90 F92 A103 V106V44-I56 HydrophobicContact CG2-CG1 4.19Å; I56-V65 PolarHBondContact N-O 2.82Å; I56-V65 PolarHBondContact O-N 2.8Å; I56-V67 HydrophobicContact CD1-CB 3.8Å; I56-V67 HydrophobicContact CD1-CG1 3.97Å; I56-V67 HydrophobicContact CD1-CG2 4.06Å; I56-V67 HydrophobicContact CG1-CB 4.13Å; I56-V67 HydrophobicContact CG1-CG1 3.79Å; I56-V90 HydrophobicContact CD1-CG2 3.83Å; I56-V90 HydrophobicContact CG1-CG2 4.3Å; I56-V90 HydrophobicContact CG2-CG2 3.95Å; I56-F92 HydrophobicContact CB-CE1 4.32Å; I56-F92 HydrophobicContact CB-CZ 4.24Å; I56-F92 HydrophobicContact CD1-CD1 4.25Å; I56-F92 HydrophobicContact CD1-CE1 4.36Å; I56-F92 HydrophobicContact CD1-CG 4.46Å; I56-F92 HydrophobicContact CG2-CD1 4.31Å; I56-F92 HydrophobicContact CG2-CE1 3.49Å; I56-F92 VanDerWaalsContact CG2-CE1 3.49Å; I56-F92 HydrophobicContact CG2-CZ 3.77Å; I56-A103 HydrophobicContact CD1-CB 4.22Å; I56-V106 HydrophobicContact CD1-CG1 4.38Å; I56-V106 HydrophobicContact CD1-CG2 4.46Å
57N96.4Very high94.5Very high48 Ų4860.1 Ų60.126%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-85.4123172.1-166.1-86.7000108.8G42 T43 K62 D64G42-N57 CarbonylContact C-O 3.59Å; G42-N57 WeakPolarHBondContact CA-O 3.48Å; T43-N57 PolarHBondContact N-O 3.33Å; T43-N57 PolarHBondContact O-N 2.85Å; N57-K62 PolarHBondContact ND2-O 3.25Å; N57-D64 PolarHBondContact ND2-OD1 3.19Å
58R95.2Very high94.4Very high25 Ų2562.2 Ų62.29%0.09429%0.293CS..EExtended strand (participates in β ladder)trans-70.3132.2176-74.9179.267.7179.43.9110.1V40 D60 K62 E63 V65 F92V40-R58 HydrophobicContact CG1-CG 4.1Å; R58-D60 IonicContact NH2-OD2 3.73Å; R58-D60 PolarHBondContact O-N 3.16Å; R58-K62 WeakPolarHBondContact O-CA 2.82Å; R58-K62 PolarHBondContact O-N 3.29Å; R58-E63 PolarHBondContact N-O 2.84Å; R58-E63 IonicContact NH1-OE2 3.66Å; R58-V65 HydrophobicContact CG-CG2 3.64Å; R58-F92 HydrophobicContact CG-CE2 4.35Å; R58-F92 HydrophobicContact CG-CZ 3.8Å
59N90.9Very high94.4Very high80 Ų8062.7 Ų62.743%0.42829%0.293SS..THydrogen-bonded Turntrans-70.3-26176.8-64.4-16000112L41 T43L41-N59 PolarHBondContact O-N 2.85Å; L41-N59 VanDerWaalsContact O-N 3.12Å; T43-N59 PolarHBondContact OG1-OD1 2.95Å
60D88Confident94.4Very high110 Ų11066.3 Ų66.359%0.58832%0.316SS*.THydrogen-bonded Turntrans-75.4-61-178.5-52.8-28.2000112.6V40 R58V40-D60 WeakPolarHBondContact CG1-OD2 3.45Å; R58-D60 IonicContact NH2-OD2 3.73Å; R58-D60 PolarHBondContact O-N 3.16Å
61T88.9Confident94.5Very high66 Ų6655.9 Ų55.941%0.40528%0.279SS..THydrogen-bonded Turntrans-99.7-5.9-172.257.60000113.3E63T61-E63 WeakPolarHBondContact CB-OE2 3.28Å; T61-E63 PolarHBondContact O-N 2.75Å; T61-E63 VanDerWaalsContact O-N 3.07Å; T61-E63 WeakPolarHBondContact OG1-CG 3.25Å; T61-E63 PolarHBondContact OG1-OE2 2.77Å
62K91Very high94.5Very high164 Ų16452.4 Ų52.471%0.71326%0.261SS*.  trans57.512.6-172.3-59.7178.4-178.3172.80114.6N57 R58N57-K62 PolarHBondContact ND2-O 3.25Å; R58-K62 WeakPolarHBondContact O-CA 2.82Å; R58-K62 PolarHBondContact O-N 3.29Å
63E92.4Very high94.4Very high107 Ų10758.7 Ų58.750%0.529%0.288SS..PPolyproline II helixtrans-75.5144.4176.4-66.3167.2154.100110.7R58 T61R58-E63 PolarHBondContact N-O 2.84Å; R58-E63 IonicContact NH1-OE2 3.66Å; T61-E63 WeakPolarHBondContact CB-OE2 3.28Å; T61-E63 PolarHBondContact O-N 2.75Å; T61-E63 VanDerWaalsContact O-N 3.07Å; T61-E63 WeakPolarHBondContact OG1-CG 3.25Å; T61-E63 PolarHBondContact OG1-OE2 2.77Å
64D94.6Very high94.2Very high65 Ų6559.8 Ų59.835%0.34829%0.294SS..EExtended strand (participates in β ladder)trans-84.3118.4174.7-75.9-14.4000109.4K45 F55 N57K45-D64 IonicContact NZ-OD1 3.87Å; K45-D64 IonicContact NZ-OD2 2.69Å; K45-D64 PolarHBondContact NZ-OD2 3.02Å; F55-D64 HydrophobicContact CD1-CB 4.09Å; N57-D64 PolarHBondContact ND2-OD1 3.19Å
65V95.8Very high94Very high1 Ų161 Ų611%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-101.8131.2177.5-179.50000109.5F55 I56 R58 F92 V94 A101 A103F55-V65 WeakPolarHBondContact CA-O 3.27Å; I56-V65 PolarHBondContact N-O 2.82Å; I56-V65 PolarHBondContact O-N 2.8Å; R58-V65 HydrophobicContact CG-CG2 3.64Å; V65-F92 HydrophobicContact CB-CE2 4.06Å; V65-F92 HydrophobicContact CB-CZ 4.47Å; V65-F92 HydrophobicContact CG1-CE2 3.94Å; V65-F92 HydrophobicContact CG2-CE2 4.09Å; V65-F92 HydrophobicContact CG2-CZ 4.43Å; V65-V94 HydrophobicContact CG2-CG1 4.5Å; V65-V94 HydrophobicContact CG2-CG2 4.47Å; V65-A101 HydrophobicContact CG1-CB 4.5Å; V65-A101 HydrophobicContact CG2-CB 4.42Å; V65-A103 HydrophobicContact CG1-CB 3.8Å
66F96.7Very high93.8Very high48 Ų4859.5 Ų59.521%0.21130%0.295CS..EExtended strand (participates in β ladder)trans-70.3132.2177.6175.1-106.4000110.7Y53 F55 H68 A101 E102 A103Y53-F66 HydrophobicContact CD2-CE2 4.29Å; Y53-F66 HydrophobicContact CG-CE2 4.2Å; F55-F66 HydrophobicContact CE1-CB 4.15Å; F55-F66 HydrophobicContact CE1-CD2 4.31Å; F55-F66 HydrophobicContact CE2-CD2 4.35Å; F55-F66 HydrophobicContact CZ-CD2 4.04Å; F66-H68 HydrophobicContact CE1-CB 4.03Å; F66-H68 HydrophobicContact CZ-CB 4.3Å; F66-A101 PolarHBondContact N-O 3.26Å; F66-E102 HydrophobicContact CD1-CB 4.48Å; F66-E102 HydrophobicContact CD1-CG 4.09Å; F66-E102 CarbonylContact O-C 3.45Å; F66-E102 WeakPolarHBondContact O-CA 3.48Å; F66-A103 PolarHBondContact O-N 3.31Å
67V96.5Very high93.5Very high0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-122.8132.3174.858.90000111.1F47 Y53 G54 I56 A103 V106F47-V67 HydrophobicContact CD2-CG1 4.36Å; Y53-V67 CarbonylContact C-O 3.56Å; Y53-V67 VanDerWaalsContact CA-O 3.25Å; Y53-V67 WeakPolarHBondContact CA-O 3.01Å; G54-V67 PolarHBondContact N-O 2.8Å; G54-V67 WeakPolarHBondContact O-CG1 3.4Å; G54-V67 PolarHBondContact O-N 2.98Å; I56-V67 HydrophobicContact CD1-CB 3.8Å; I56-V67 HydrophobicContact CD1-CG1 3.97Å; I56-V67 HydrophobicContact CD1-CG2 4.06Å; I56-V67 HydrophobicContact CG1-CB 4.13Å; I56-V67 HydrophobicContact CG1-CG1 3.79Å; V67-A103 HydrophobicContact CB-CB 4.17Å; V67-A103 HydrophobicContact CG2-CB 4.39Å; V67-V106 HydrophobicContact CG2-CG2 3.93Å
68H96.6Very high93.1Very high51 Ų5171 Ų7124%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-111.2153.4172.4-169.4-111.5000111.4G52 F66 T70 A71G52-H68 CarbonylContact O-C 3.52Å; G52-H68 PolarHBondContact O-CD2 2.86Å; G52-H68 VanDerWaalsContact O-CD2 3.31Å; F66-H68 HydrophobicContact CE1-CB 4.03Å; F66-H68 HydrophobicContact CZ-CB 4.3Å; H68-T70 PolarHBondContact ND1-N 2.82Å; H68-T70 PolarHBondContact ND1-OG1 3.03Å; H68-T70 PolarHBondContact O-N 2.97Å; H68-T70 VanDerWaalsContact O-N 3.08Å; H68-A71 VanDerWaalsContact O-CB 3.29Å; H68-A71 WeakPolarHBondContact O-CB 3.42Å; H68-A71 PolarHBondContact O-N 3.45Å
69Q95.1Very high92.9Very high71 Ų7170.9 Ų70.933%0.33235%0.348SS..THydrogen-bonded Turntrans-58.3-25.8-179.362.5171.14.700113.6F47 G52 A71 R82F47-Q69 HydrophobicContact CZ-CB 4.26Å; G52-Q69 WeakPolarHBondContact O-CB 3.42Å; G52-Q69 PolarHBondContact O-N 2.87Å; Q69-A71 VanDerWaalsContact C-N 3.34Å; Q69-R82 HydrophobicContact CB-CB 4.3Å; Q69-R82 VanDerWaalsContact O-CD 3.28Å; Q69-R82 WeakPolarHBondContact O-CD 3.1Å
70T94.8Very high92.7Very high102 Ų10275 Ų7563%0.62636%0.359SS*.THydrogen-bonded Turntrans-74.7-25.2177.454.50000112.4H68 I72H68-T70 PolarHBondContact ND1-N 2.82Å; H68-T70 PolarHBondContact ND1-OG1 3.03Å; H68-T70 PolarHBondContact O-N 2.97Å; H68-T70 VanDerWaalsContact O-N 3.08Å; T70-I72 PolarHBondContact O-N 3.07Å
71A94.6Very high92.9Very high13 Ų1372.8 Ų72.811%0.10735%0.347CS..THydrogen-bonded Turntrans-73.1-18.9176.800000112.9H68 Q69 K73 A103 N105 V106H68-A71 VanDerWaalsContact O-CB 3.29Å; H68-A71 WeakPolarHBondContact O-CB 3.42Å; H68-A71 PolarHBondContact O-N 3.45Å; Q69-A71 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 3.32Å; A71-K73 VanDerWaalsContact O-N 3.09Å; A71-A103 WeakPolarHBondContact CB-O 3.25Å; A71-N105 PolarHBondContact O-N 3.48Å; A71-V106 HydrophobicContact CB-CG2 4.18Å; A71-V106 PolarHBondContact O-N 3.3Å
72I95.1Very high93.1Very high1 Ų175.1 Ų75.11%0.00535%0.348CS..BIsolated β-bridgetrans-71.5104.3178.5-55.8171.3000109F47 T70 R82 V84 V114F47-I72 HydrophobicContact CZ-CD1 4.45Å; T70-I72 PolarHBondContact O-N 3.07Å; I72-R82 HydrophobicContact CB-CB 4.39Å; I72-R82 HydrophobicContact CD1-CB 4.1Å; I72-R82 PolarHBondContact O-NH1 2.92Å; I72-V84 HydrophobicContact CD1-CG1 3.93Å; I72-V84 HydrophobicContact CG1-CG1 4.28Å; I72-V114 HydrophobicContact CG2-CG2 4.03Å
73K93.2Very high93.3Very high132 Ų13267.3 Ų67.357%0.57431%0.314SS*.  trans-74.4-54.6179-91.4-169166.6165.70111.6A71 R82 N105 V106 T107A71-K73 PolarHBondContact O-N 3.32Å; A71-K73 VanDerWaalsContact O-N 3.09Å; K73-R82 PolarHBondContact O-NH1 2.9Å; K73-N105 HydrophobicContact CD-CB 3.94Å; K73-N105 VanDerWaalsContact CD-OD1 3.25Å; K73-N105 WeakPolarHBondContact CD-OD1 3.32Å; K73-N105 WeakPolarHBondContact CE-OD1 3.2Å; K73-N105 VanDerWaalsContact NZ-CG 3.31Å; K73-N105 PolarHBondContact NZ-OD1 3.04Å; K73-V106 PolarHBondContact N-O 2.74Å; K73-V106 VanDerWaalsContact N-O 3.09Å; K73-T107 HydrophobicContact CB-CG2 4.33Å
74K91.8Very high93.5Very high109 Ų10962.2 Ų62.247%0.47429%0.29SS..SBendtrans-104.292.1-175.9-65.1-176.8-177.4-1770111.4T107 G111 A113 V114K74-T107 HydrophobicContact CB-CG2 4.03Å; K74-T107 HydrophobicContact CD-CG2 3.89Å; K74-T107 HydrophobicContact CG-CG2 3.86Å; K74-G111 WeakPolarHBondContact CD-O 3.33Å; K74-G111 WeakPolarHBondContact CE-O 3.43Å; K74-G111 PolarHBondContact NZ-O 2.7Å; K74-A113 HydrophobicContact CB-CB 4.46Å; K74-V114 PolarHBondContact O-N 3.09Å; K74-V114 VanDerWaalsContact O-N 3.11Å
75N93.2Very high93.5Very high27 Ų2759.6 Ų59.614%0.14428%0.279CS..  trans-79.8151.6176.6178.952.8000112.7K79 L81 R82N75-K79 PolarHBondContact ND2-O 3.09Å; N75-L81 PolarHBondContact OD1-O 3.48Å; N75-R82 HydrophobicContact CB-CG 4.11Å; N75-R82 WeakPolarHBondContact OD1-CA 3.36Å
76N92.4Very high93.5Very high29 Ų2963 Ų6316%0.15530%0.297CS..  trans-59.3122.6172.1-164.9-36.5000111.1R78 K79 V114 Q115N76-R78 PolarHBondContact O-N 3.44Å; N76-R78 VanDerWaalsContact O-N 3.12Å; N76-R78 VanDerWaalsContact OD1-CB 3.32Å; N76-R78 WeakPolarHBondContact OD1-CB 3.39Å; N76-R78 PolarHBondContact OD1-N 2.95Å; N76-K79 HydrophobicContact CB-CB 4.1Å; N76-K79 HydrophobicContact CB-CG 3.91Å; N76-K79 PolarHBondContact O-N 2.69Å; N76-K79 VanDerWaalsContact O-N 3.09Å; N76-V114 VanDerWaalsContact CB-O 3.27Å; N76-V114 WeakPolarHBondContact CB-O 3.17Å; N76-Q115 PolarHBondContact ND2-O 3.4Å
77P89.3Confident93.4Very high96 Ų9663.1 Ų63.162%0.62331%0.312SS*.THydrogen-bonded Turntrans-62.6-2117825.6-35.1000113.3R123P77-R123 WeakPolarHBondContact O-CD 3.34Å
78R88.6Confident93.4Very high193 Ų19364.3 Ų64.373%0.72832%0.317SS*.THydrogen-bonded Turntrans-81.4-22.9177.9-62.4-177.9168.5160.4-1.5113N76 D122 R123N76-R78 PolarHBondContact O-N 3.44Å; N76-R78 VanDerWaalsContact O-N 3.12Å; N76-R78 VanDerWaalsContact OD1-CB 3.32Å; N76-R78 WeakPolarHBondContact OD1-CB 3.39Å; N76-R78 PolarHBondContact OD1-N 2.95Å; R78-D122 CarbonylContact O-C 3.56Å; R78-D122 WeakPolarHBondContact O-CA 3.42Å; R78-R123 PolarHBondContact O-N 2.93Å
79K90.6Very high93.3Very high23 Ų2364.9 Ų64.910%0.132%0.324CS..BIsolated β-bridgetrans-95.6139.7-178.8-63-66.9-173.5-175.40111.2N75 N76 A120 D122 R123N75-K79 PolarHBondContact ND2-O 3.09Å; N76-K79 HydrophobicContact CB-CB 4.1Å; N76-K79 HydrophobicContact CB-CG 3.91Å; N76-K79 PolarHBondContact O-N 2.69Å; N76-K79 VanDerWaalsContact O-N 3.09Å; K79-A120 HydrophobicContact CD-CB 4.06Å; K79-A120 WeakPolarHBondContact CD-O 3.37Å; K79-A120 PolarHBondContact NZ-O 3.11Å; K79-D122 WeakPolarHBondContact CD-OD1 3.36Å; K79-D122 WeakPolarHBondContact CE-OD1 3.44Å; K79-D122 IonicContact NZ-OD1 2.7Å; K79-D122 PolarHBondContact NZ-OD1 3.08Å; K79-D122 IonicContact NZ-OD2 3.8Å; K79-R123 PolarHBondContact O-NE 3.02Å; K79-R123 PolarHBondContact O-NH2 2.85Å
80Y87.6Confident93.4Very high167 Ų16761.5 Ų61.566%0.65531%0.308SS*.SBendtrans-74-46177.3-176-98.7000111.1A121 R123Y80-A121 PolarHBondContact N-O 3.15Å; Y80-R123 HydrophobicContact CD2-CG 4.4Å
81L91.8Very high93.4Very high64 Ų6458.4 Ų58.434%0.33529%0.287SS..SBendtrans-89.3146.6-178.3-61172.2000111.4V49 N75 S83V49-L81 HydrophobicContact CG1-CD1 3.7Å; N75-L81 PolarHBondContact OD1-O 3.48Å; L81-S83 PolarHBondContact O-N 2.75Å
82R94.4Very high93.5Very high115 Ų11557.8 Ų57.843%0.43428%0.282SS..  trans-74.3114.2168.5-61.3-175.6-177-101.6-1.7108.1Q69 I72 K73 N75Q69-R82 HydrophobicContact CB-CB 4.3Å; Q69-R82 VanDerWaalsContact O-CD 3.28Å; Q69-R82 WeakPolarHBondContact O-CD 3.1Å; I72-R82 HydrophobicContact CB-CB 4.39Å; I72-R82 HydrophobicContact CD1-CB 4.1Å; I72-R82 PolarHBondContact O-NH1 2.92Å; K73-R82 PolarHBondContact O-NH1 2.9Å; N75-R82 HydrophobicContact CB-CG 4.11Å; N75-R82 WeakPolarHBondContact OD1-CA 3.36Å
83S94.8Very high93.5Very high0 Ų059 Ų590%029%0.288CS..  trans-150.5160.2-179.859.40000109.3L81 V114 G116 S117 A120L81-S83 PolarHBondContact O-N 2.75Å; S83-V114 WeakPolarHBondContact O-CG2 3.19Å; S83-G116 WeakPolarHBondContact O-CA 3.49Å; S83-S117 PolarHBondContact OG-N 3.28Å; S83-A120 WeakPolarHBondContact OG-CB 3.29Å
84V95.8Very high93.6Very high0 Ų052.8 Ų52.80%026%0.261CS..  trans-115.5152.2171.3-67.90000109.5V44 F47 I72 V106 V114 S117V44-V84 HydrophobicContact CG1-CG2 3.75Å; V44-V84 HydrophobicContact CG2-CB 4Å; V44-V84 HydrophobicContact CG2-CG2 3.92Å; F47-V84 HydrophobicContact CB-CG2 3.57Å; F47-V84 HydrophobicContact CD1-CG2 4.38Å; F47-V84 HydrophobicContact CD2-CG2 3.53Å; F47-V84 HydrophobicContact CE2-CG2 4.3Å; F47-V84 HydrophobicContact CG-CG2 3.57Å; I72-V84 HydrophobicContact CD1-CG1 3.93Å; I72-V84 HydrophobicContact CG1-CG1 4.28Å; V84-V106 HydrophobicContact CG1-CG1 4.39Å; V84-V114 HydrophobicContact CG1-CB 4.41Å; V84-V114 HydrophobicContact CG1-CG1 4.23Å; V84-V114 HydrophobicContact CG1-CG2 4.45Å; V84-S117 WeakPolarHBondContact O-CA 3.37Å; V84-S117 WeakPolarHBondContact O-CB 3.27Å; V84-S117 PolarHBondContact O-N 3Å
85G95.3Very high93.7Very high10 Ų1048.1 Ų48.110%0.10324%0.242CC..  trans-76.3141.4174.300000111.4V44 E88V44-G85 WeakPolarHBondContact CB-O 3.46Å; V44-G85 VanDerWaalsContact CG1-O 3.31Å; V44-G85 WeakPolarHBondContact CG1-O 3.28Å; G85-E88 WeakPolarHBondContact CA-OE2 3.38Å; G85-E88 PolarHBondContact N-OE2 2.86Å; G85-E88 WeakPolarHBondContact O-CB 3.33Å; G85-E88 PolarHBondContact O-N 2.91Å
86D95.3Very high93.8Very high72 Ų7251.8 Ų51.839%0.38526%0.258SS..THydrogen-bonded Turntrans-66.5133.4170.1-48.5-49.6000108.8W46 F47 E88W46-D86 WeakPolarHBondContact CA-OD1 3.37Å; F47-D86 PolarHBondContact N-OD1 2.83Å; D86-E88 PolarHBondContact O-N 3.23Å
87G95.1Very high93.8Very high51 Ų5151.1 Ų51.153%0.52626%0.258SS..THydrogen-bonded Turntrans74.54.4-174.400000115V44V44-G87 WeakPolarHBondContact O-CA 3.38Å; V44-G87 PolarHBondContact O-N 3.05Å
88E95.3Very high93.8Very high24 Ų2455.6 Ų55.611%0.11227%0.271CS..  trans-73.3133.6176.4-171.7179.9166.900110.2V44 G85 D86 V90 V114 Q115 G116V44-E88 HydrophobicContact CG2-CB 4.32Å; V44-E88 WeakPolarHBondContact CG2-O 3.5Å; V44-E88 PolarHBondContact N-O 3.38Å; G85-E88 WeakPolarHBondContact CA-OE2 3.38Å; G85-E88 PolarHBondContact N-OE2 2.86Å; G85-E88 WeakPolarHBondContact O-CB 3.33Å; G85-E88 PolarHBondContact O-N 2.91Å; D86-E88 PolarHBondContact O-N 3.23Å; E88-V90 HydrophobicContact CG-CG1 4.09Å; E88-V114 VanDerWaalsContact OE1-CA 3.28Å; E88-V114 WeakPolarHBondContact OE1-CA 3.39Å; E88-V114 WeakPolarHBondContact OE1-CB 3.45Å; E88-Q115 PolarHBondContact OE1-N 2.95Å; E88-Q115 PolarHBondContact OE2-N 3.07Å; E88-G116 PolarHBondContact OE2-N 2.94Å
89T95.8Very high93.7Very high63 Ų6355.1 Ų55.139%0.38727%0.274SS..EExtended strand (participates in β ladder)trans-78.8128.7169.1-50.10000109.2G42 P109G42-T89 CarbonylContact O-C 3.59Å; G42-T89 WeakPolarHBondContact O-CA 3.19Å; T89-P109 WeakPolarHBondContact O-CD 3.42Å
90V96.3Very high93.8Very high0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-133.3153.3-176.6-66.40000110.9L41 G42 V44 I56 E88 F92 V106 T107 V114L41-V90 WeakPolarHBondContact CA-O 3.19Å; G42-V90 PolarHBondContact N-O 3.16Å; G42-V90 PolarHBondContact O-N 3.47Å; V44-V90 HydrophobicContact CG2-CG1 4.04Å; V44-V90 HydrophobicContact CG2-CG2 3.94Å; I56-V90 HydrophobicContact CD1-CG2 3.83Å; I56-V90 HydrophobicContact CG1-CG2 4.3Å; I56-V90 HydrophobicContact CG2-CG2 3.95Å; E88-V90 HydrophobicContact CG-CG1 4.09Å; V90-F92 HydrophobicContact CG2-CD1 4.11Å; V90-F92 HydrophobicContact CG2-CE1 4.45Å; V90-V106 HydrophobicContact CB-CG1 4.16Å; V90-V106 HydrophobicContact CG1-CG1 4.47Å; V90-V106 HydrophobicContact CG2-CG1 4.31Å; V90-T107 CarbonylContact C-O 3.6Å; V90-T107 WeakPolarHBondContact CA-O 3.19Å; V90-T107 WeakPolarHBondContact CB-O 3.34Å; V90-V114 HydrophobicContact CG1-CG1 4.37Å
91E96.4Very high94.1Very high37 Ų3749.7 Ų49.717%0.17327%0.271CS..EExtended strand (participates in β ladder)trans-108.1127.9174.6-171.7-176.6144.700109.2K39 V40 L41 T107 G110K39-E91 HydrophobicContact CB-CG 4.28Å; V40-E91 WeakPolarHBondContact O-CA 3.31Å; L41-E91 HydrophobicContact CD2-CB 3.85Å; L41-E91 HydrophobicContact CD2-CG 4.14Å; E91-T107 PolarHBondContact N-O 2.85Å; E91-T107 PolarHBondContact O-N 2.85Å; E91-T107 VanDerWaalsContact O-O 3.13Å; E91-T107 PolarHBondContact O-OG1 3.12Å; E91-G110 PolarHBondContact OE2-N 2.79Å
92F95.8Very high94.3Very high1 Ų148 Ų480%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-152.5162.8-174.663.1-80.2000112.6K39 V40 I56 R58 V65 V90 V94 A103 V106K39-F92 CarbonylContact C-O 3.54Å; K39-F92 PolarHBondContact N-O 2.95Å; V40-F92 HydrophobicContact CG1-CZ 4.37Å; V40-F92 PolarHBondContact N-O 2.85Å; V40-F92 WeakPolarHBondContact O-CD1 3.38Å; V40-F92 PolarHBondContact O-N 2.82Å; I56-F92 HydrophobicContact CB-CE1 4.32Å; I56-F92 HydrophobicContact CB-CZ 4.24Å; I56-F92 HydrophobicContact CD1-CD1 4.25Å; I56-F92 HydrophobicContact CD1-CE1 4.36Å; I56-F92 HydrophobicContact CD1-CG 4.46Å; I56-F92 HydrophobicContact CG2-CD1 4.31Å; I56-F92 HydrophobicContact CG2-CE1 3.49Å; I56-F92 VanDerWaalsContact CG2-CE1 3.49Å; I56-F92 HydrophobicContact CG2-CZ 3.77Å; R58-F92 HydrophobicContact CG-CE2 4.35Å; R58-F92 HydrophobicContact CG-CZ 3.8Å; V65-F92 HydrophobicContact CB-CE2 4.06Å; V65-F92 HydrophobicContact CB-CZ 4.47Å; V65-F92 HydrophobicContact CG1-CE2 3.94Å; V65-F92 HydrophobicContact CG2-CE2 4.09Å; V65-F92 HydrophobicContact CG2-CZ 4.43Å; V90-F92 HydrophobicContact CG2-CD1 4.11Å; V90-F92 HydrophobicContact CG2-CE1 4.45Å; F92-V94 HydrophobicContact CD2-CG2 4.23Å; F92-V94 HydrophobicContact CE2-CG2 3.79Å; F92-A103 HydrophobicContact CB-CB 4.41Å; F92-A103 HydrophobicContact CD2-CB 3.64Å; F92-A103 HydrophobicContact CE2-CB 4.2Å; F92-A103 HydrophobicContact CG-CB 4.23Å; F92-V106 HydrophobicContact CB-CB 4.35Å; F92-V106 HydrophobicContact CB-CG1 4.5Å; F92-V106 HydrophobicContact CB-CG2 3.89Å
93D95.1Very high94.3Very high27 Ų2742.5 Ų42.514%0.14424%0.241CC..EExtended strand (participates in β ladder)trans-97.6141.4171.3-57.8-34.8000109.1A37 T38 K39 A103 A104 N105A37-D93 CarbonylContact O-C 3.53Å; A37-D93 WeakPolarHBondContact O-CA 3.44Å; T38-D93 VanDerWaalsContact CA-OD1 3.24Å; T38-D93 WeakPolarHBondContact CA-OD1 3.03Å; K39-D93 PolarHBondContact N-OD1 3.4Å; D93-A103 CarbonylContact O-C 3.58Å; D93-A103 WeakPolarHBondContact O-CA 3.37Å; D93-A104 HydrophobicContact CB-CB 4.43Å; D93-A104 PolarHBondContact N-O 2.69Å; D93-A104 PolarHBondContact O-N 2.85Å; D93-N105 WeakPolarHBondContact OD2-CB 3.43Å; D93-N105 PolarHBondContact OD2-ND2 2.8Å
94V95.3Very high94.3Very high1 Ų143.5 Ų43.51%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-95.7120.7175-1720000107.8V35 I36 A37 V40 V65 F92 A101V35-V94 CarbonylContact C-O 3.48Å; I36-V94 HydrophobicContact CB-CB 4.4Å; I36-V94 HydrophobicContact CB-CG1 4.26Å; I36-V94 HydrophobicContact CD1-CG1 4.2Å; I36-V94 PolarHBondContact N-O 3.5Å; A37-V94 HydrophobicContact CB-CB 4.12Å; A37-V94 HydrophobicContact CB-CG2 4.11Å; A37-V94 PolarHBondContact N-O 2.75Å; A37-V94 PolarHBondContact O-N 3.43Å; V40-V94 HydrophobicContact CG2-CG2 4.24Å; V65-V94 HydrophobicContact CG2-CG1 4.5Å; V65-V94 HydrophobicContact CG2-CG2 4.47Å; F92-V94 HydrophobicContact CD2-CG2 4.23Å; F92-V94 HydrophobicContact CE2-CG2 3.79Å; V94-A101 HydrophobicContact CG1-CB 3.94Å
95V94.8Very high94.3Very high10 Ų1046.2 Ų46.26%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-117.7151.9176.6-59.30000110.5K33 K34 V35 G97 E102 A104K33-V95 HydrophobicContact CB-CB 4.1Å; K33-V95 HydrophobicContact CB-CG2 4.38Å; K33-V95 HydrophobicContact CD-CG2 4.18Å; K34-V95 CarbonylContact O-C 3.6Å; K34-V95 WeakPolarHBondContact O-CA 3.38Å; V35-V95 HydrophobicContact CB-CG1 4.48Å; V35-V95 HydrophobicContact CG2-CG1 4.04Å; V95-G97 PolarHBondContact O-N 3.08Å; V95-E102 HydrophobicContact CG2-CB 4.05Å; V95-E102 HydrophobicContact CG2-CG 4.34Å; V95-E102 VanDerWaalsContact CG2-O 3.28Å; V95-E102 WeakPolarHBondContact CG2-O 3.28Å; V95-E102 PolarHBondContact N-O 2.79Å; V95-E102 PolarHBondContact O-N 3.37Å; V95-A104 HydrophobicContact CG1-CB 3.69Å; V95-A104 HydrophobicContact CG2-CB 3.97Å
96E94.3Very high94.3Very high105 Ų10545.7 Ų45.749%0.49126%0.259SS..EExtended strand (participates in β ladder)trans-74.7112.3172.1-163.9170.3177.100109.2K34 I36K34-E96 HydrophobicContact CB-CB 4.3Å; K34-E96 IonicContact NZ-OE2 3.94Å; K34-E96 PolarHBondContact O-N 3.45Å; I36-E96 HydrophobicContact CD1-CB 4.05Å; I36-E96 HydrophobicContact CG1-CB 4.35Å
97G91.3Very high94.4Very high15 Ų1543 Ų4316%0.15525%0.245CC..EExtended strand (participates in β ladder)trans-109174.1178.800000112.5V95 K99 G100V95-G97 PolarHBondContact O-N 3.08Å; G97-K99 PolarHBondContact O-N 3.12Å; G97-K99 VanDerWaalsContact O-N 3.13Å; G97-G100 CarbonylContact C-O 3.58Å; G97-G100 VanDerWaalsContact CA-O 3.27Å; G97-G100 WeakPolarHBondContact CA-O 3.38Å; G97-G100 PolarHBondContact N-O 3.09Å; G97-G100 PolarHBondContact O-N 2.88Å; G97-G100 VanDerWaalsContact O-N 3.15Å
98E89.3Confident94.4Very high189 Ų18940.7 Ų40.788%0.88322%0.221SC*.THydrogen-bonded Turntrans-59.3-27.9-177.8-61.5173.4178.300113.5
99K88.3Confident94.3Very high184 Ų18442.9 Ų42.980%0.824%0.237SC*.THydrogen-bonded Turntrans-111.120.2-176.4-61.8-177.9-179.3178.70112.5G97G97-K99 PolarHBondContact O-N 3.12Å; G97-K99 VanDerWaalsContact O-N 3.13Å
100G91.5Very high94.1Very high38 Ų3843.4 Ų43.439%0.39226%0.255SS..EExtended strand (participates in β ladder)trans100.8-151.5-173.100000112.4G97 E102G97-G100 CarbonylContact C-O 3.58Å; G97-G100 VanDerWaalsContact CA-O 3.27Å; G97-G100 WeakPolarHBondContact CA-O 3.38Å; G97-G100 PolarHBondContact N-O 3.09Å; G97-G100 PolarHBondContact O-N 2.88Å; G97-G100 VanDerWaalsContact O-N 3.15Å; G100-E102 PolarHBondContact O-N 3.41Å
101A93.9Very high93.8Very high37 Ų3744.1 Ų44.131%0.30626%0.262SS..EExtended strand (participates in β ladder)trans-62.6118.3-176.100000111.9V65 F66 V94V65-A101 HydrophobicContact CG1-CB 4.5Å; V65-A101 HydrophobicContact CG2-CB 4.42Å; F66-A101 PolarHBondContact N-O 3.26Å; V94-A101 HydrophobicContact CG1-CB 3.94Å
102E95.6Very high93.7Very high29 Ų2946.8 Ų46.814%0.13628%0.281CS..EExtended strand (participates in β ladder)trans-112.9140.8177.1177.8177.3-171.200109.5K33 F66 V95 G100K33-E102 IonicContact NZ-OE1 3.71Å; K33-E102 IonicContact NZ-OE2 2.69Å; K33-E102 PolarHBondContact NZ-OE2 2.77Å; F66-E102 HydrophobicContact CD1-CB 4.48Å; F66-E102 HydrophobicContact CD1-CG 4.09Å; F66-E102 CarbonylContact O-C 3.45Å; F66-E102 WeakPolarHBondContact O-CA 3.48Å; V95-E102 HydrophobicContact CG2-CB 4.05Å; V95-E102 HydrophobicContact CG2-CG 4.34Å; V95-E102 VanDerWaalsContact CG2-O 3.28Å; V95-E102 WeakPolarHBondContact CG2-O 3.28Å; V95-E102 PolarHBondContact N-O 2.79Å; V95-E102 PolarHBondContact O-N 3.37Å; G100-E102 PolarHBondContact O-N 3.41Å
103A95.8Very high93.7Very high0 Ų048.7 Ų48.70%030%0.297CS..EExtended strand (participates in β ladder)trans-81.4132.7173.800000109.5I56 V65 F66 V67 A71 F92 D93 V106I56-A103 HydrophobicContact CD1-CB 4.22Å; V65-A103 HydrophobicContact CG1-CB 3.8Å; F66-A103 PolarHBondContact O-N 3.31Å; V67-A103 HydrophobicContact CB-CB 4.17Å; V67-A103 HydrophobicContact CG2-CB 4.39Å; A71-A103 WeakPolarHBondContact CB-O 3.25Å; F92-A103 HydrophobicContact CB-CB 4.41Å; F92-A103 HydrophobicContact CD2-CB 3.64Å; F92-A103 HydrophobicContact CE2-CB 4.2Å; F92-A103 HydrophobicContact CG-CB 4.23Å; D93-A103 CarbonylContact O-C 3.58Å; D93-A103 WeakPolarHBondContact O-CA 3.37Å; A103-V106 HydrophobicContact CB-CG2 3.85Å
104A95.2Very high93.7Very high20 Ų2047.5 Ų47.517%0.16529%0.29CS..EExtended strand (participates in β ladder)trans-116.9159.9168.900000110D93 V95 V106D93-A104 HydrophobicContact CB-CB 4.43Å; D93-A104 PolarHBondContact N-O 2.69Å; D93-A104 PolarHBondContact O-N 2.85Å; V95-A104 HydrophobicContact CG1-CB 3.69Å; V95-A104 HydrophobicContact CG2-CB 3.97Å; A104-V106 VanDerWaalsContact C-N 3.26Å; A104-V106 PolarHBondContact O-N 3.28Å; A104-V106 VanDerWaalsContact O-N 3.16Å
105N94.9Very high93.5Very high57 Ų5754.2 Ų54.231%0.30532%0.322SS..EExtended strand (participates in β ladder)trans55.836.1171.5-56.7-27.7000114.9A71 K73 D93 T107A71-N105 PolarHBondContact O-N 3.48Å; K73-N105 HydrophobicContact CD-CB 3.94Å; K73-N105 VanDerWaalsContact CD-OD1 3.25Å; K73-N105 WeakPolarHBondContact CD-OD1 3.32Å; K73-N105 WeakPolarHBondContact CE-OD1 3.2Å; K73-N105 VanDerWaalsContact NZ-CG 3.31Å; K73-N105 PolarHBondContact NZ-OD1 3.04Å; D93-N105 WeakPolarHBondContact OD2-CB 3.43Å; D93-N105 PolarHBondContact OD2-ND2 2.8Å; N105-T107 PolarHBondContact O-N 3.02Å
106V95.9Very high93.4Very high0 Ų054 Ų540%032%0.322CS..EExtended strand (participates in β ladder)trans-65.4126.4-174.7-173.20000110.6I56 V67 A71 K73 V84 V90 F92 A103 A104I56-V106 HydrophobicContact CD1-CG1 4.38Å; I56-V106 HydrophobicContact CD1-CG2 4.46Å; V67-V106 HydrophobicContact CG2-CG2 3.93Å; A71-V106 HydrophobicContact CB-CG2 4.18Å; A71-V106 PolarHBondContact O-N 3.3Å; K73-V106 PolarHBondContact N-O 2.74Å; K73-V106 VanDerWaalsContact N-O 3.09Å; V84-V106 HydrophobicContact CG1-CG1 4.39Å; V90-V106 HydrophobicContact CB-CG1 4.16Å; V90-V106 HydrophobicContact CG1-CG1 4.47Å; V90-V106 HydrophobicContact CG2-CG1 4.31Å; F92-V106 HydrophobicContact CB-CB 4.35Å; F92-V106 HydrophobicContact CB-CG1 4.5Å; F92-V106 HydrophobicContact CB-CG2 3.89Å; A103-V106 HydrophobicContact CB-CG2 3.85Å; A104-V106 VanDerWaalsContact C-N 3.26Å; A104-V106 PolarHBondContact O-N 3.28Å; A104-V106 VanDerWaalsContact O-N 3.16Å
107T96.3Very high93.4Very high16 Ų1649 Ų4910%0.09830%0.298CS..EExtended strand (participates in β ladder)trans-139.2166.317856.90000110.6K73 K74 V90 E91 N105K73-T107 HydrophobicContact CB-CG2 4.33Å; K74-T107 HydrophobicContact CB-CG2 4.03Å; K74-T107 HydrophobicContact CD-CG2 3.89Å; K74-T107 HydrophobicContact CG-CG2 3.86Å; V90-T107 CarbonylContact C-O 3.6Å; V90-T107 WeakPolarHBondContact CA-O 3.19Å; V90-T107 WeakPolarHBondContact CB-O 3.34Å; E91-T107 PolarHBondContact N-O 2.85Å; E91-T107 PolarHBondContact O-N 2.85Å; E91-T107 VanDerWaalsContact O-O 3.13Å; E91-T107 PolarHBondContact O-OG1 3.12Å; N105-T107 PolarHBondContact O-N 3.02Å
108G95.4Very high93.4Very high2 Ų255.7 Ų55.72%0.02132%0.323CS..SBendtrans-70.6169.2166.800000111G110 G111 V112G108-G110 PolarHBondContact O-N 2.87Å; G108-G111 WeakPolarHBondContact O-CA 3.13Å; G108-G111 PolarHBondContact O-N 3.16Å; G108-V112 WeakPolarHBondContact CA-O 3.24Å; G108-V112 PolarHBondContact N-O 3.48Å; G108-V112 PolarHBondContact O-N 2.84Å
109P93.7Very high93.4Very high70 Ų7054 Ų5446%0.45531%0.31SS..G310 helixtrans-56.7134.2-17924.9-34.3000110.8T89 G111 V112T89-P109 WeakPolarHBondContact O-CD 3.42Å; P109-G111 PolarHBondContact O-N 3.3Å; P109-V112 WeakPolarHBondContact O-CG2 2.88Å; P109-V112 PolarHBondContact O-N 3.38Å
110G91.2Very high93.6Very high73 Ų7345.4 Ų45.475%0.75327%0.273SS*.G310 helixtrans70.620.6-176.400000113.2E91 G108 V112E91-G110 PolarHBondContact OE2-N 2.79Å; G108-G110 PolarHBondContact O-N 2.87Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 2.77Å
111G90.8Very high93.5Very high15 Ų1545.3 Ų45.316%0.15527%0.268CS..G310 helixtrans70.522.9-178.600000114.1K74 G108 P109K74-G111 WeakPolarHBondContact CD-O 3.33Å; K74-G111 WeakPolarHBondContact CE-O 3.43Å; K74-G111 PolarHBondContact NZ-O 2.7Å; G108-G111 WeakPolarHBondContact O-CA 3.13Å; G108-G111 PolarHBondContact O-N 3.16Å; P109-G111 PolarHBondContact O-N 3.3Å
112V94.2Very high93.3Very high93 Ų9346.7 Ų46.756%0.56427%0.271SS*.PPolyproline II helixtrans-69.5161.8173.5-177.80000109.8G108 P109 G110G108-V112 WeakPolarHBondContact CA-O 3.24Å; G108-V112 PolarHBondContact N-O 3.48Å; G108-V112 PolarHBondContact O-N 2.84Å; P109-V112 WeakPolarHBondContact O-CG2 2.88Å; P109-V112 PolarHBondContact O-N 3.38Å; G110-V112 VanDerWaalsContact C-N 3.31Å; G110-V112 PolarHBondContact O-N 2.77Å
113A94.1Very high92.7Very high42 Ų4251.6 Ų51.635%0.34729%0.288SS..PPolyproline II helixtrans-66.4139.317100000110.3K74K74-A113 HydrophobicContact CB-CB 4.46Å
114V95.1Very high91.7Very high1 Ų156.6 Ų56.61%0.00632%0.315CS..PPolyproline II helixtrans-61.4147176.6-59.20000110.5I72 K74 N76 S83 V84 E88 V90 G116I72-V114 HydrophobicContact CG2-CG2 4.03Å; K74-V114 PolarHBondContact O-N 3.09Å; K74-V114 VanDerWaalsContact O-N 3.11Å; N76-V114 VanDerWaalsContact CB-O 3.27Å; N76-V114 WeakPolarHBondContact CB-O 3.17Å; S83-V114 WeakPolarHBondContact O-CG2 3.19Å; V84-V114 HydrophobicContact CG1-CB 4.41Å; V84-V114 HydrophobicContact CG1-CG1 4.23Å; V84-V114 HydrophobicContact CG1-CG2 4.45Å; E88-V114 VanDerWaalsContact OE1-CA 3.28Å; E88-V114 WeakPolarHBondContact OE1-CA 3.39Å; E88-V114 WeakPolarHBondContact OE1-CB 3.45Å; V90-V114 HydrophobicContact CG1-CG1 4.37Å; V114-G116 VanDerWaalsContact C-N 3.31Å
115Q92.4Very high90.1Very high143 Ų14363.6 Ų63.667%0.66834%0.337SS*.  trans-65.8-40.1176.5-175.2173.1-23.600110.4N76 E88N76-Q115 PolarHBondContact ND2-O 3.4Å; E88-Q115 PolarHBondContact OE1-N 2.95Å; E88-Q115 PolarHBondContact OE2-N 3.07Å
116G93.1Very high88.2Confident6 Ų671.2 Ų71.26%0.06236%0.363CS..  trans82.3162.6177.300000113.7S83 E88 V114S83-G116 WeakPolarHBondContact O-CA 3.49Å; E88-G116 PolarHBondContact OE2-N 2.94Å; V114-G116 VanDerWaalsContact C-N 3.31Å
117S93.6Very high86.4Confident0 Ų081.3 Ų81.30%040%0.401CS..  trans-65.3142.2-171.9-177.60000112.1V49 S83 V84 Y119 A120V49-S117 VanDerWaalsContact CG2-OG 3.32Å; V49-S117 WeakPolarHBondContact CG2-OG 3.45Å; S83-S117 PolarHBondContact OG-N 3.28Å; V84-S117 WeakPolarHBondContact O-CA 3.37Å; V84-S117 WeakPolarHBondContact O-CB 3.27Å; V84-S117 PolarHBondContact O-N 3Å; S117-Y119 PolarHBondContact O-N 3.16Å; S117-Y119 VanDerWaalsContact O-N 3.16Å; S117-Y119 WeakPolarHBondContact OG-CD2 3.47Å; S117-Y119 PolarHBondContact OG-N 3.21Å; S117-A120 WeakPolarHBondContact O-CB 3.32Å; S117-A120 PolarHBondContact O-N 3.47Å
118K90.9Very high84.5Confident155 Ų15591.1 Ų91.167%0.67444%0.436SS*.THydrogen-bonded Turntrans-58.1-25.4170.268.9-174.2-175.1-174.50112.7
119Y90.1Very high82.3Confident154 Ų154100.7 Ų100.760%0.60447%0.473SS*.THydrogen-bonded Turntrans-87.1-14179.9-53.3-68.5000113.4S117S117-Y119 PolarHBondContact O-N 3.16Å; S117-Y119 VanDerWaalsContact O-N 3.16Å; S117-Y119 WeakPolarHBondContact OG-CD2 3.47Å; S117-Y119 PolarHBondContact OG-N 3.21Å
120A91.3Very high80.6Confident2 Ų2102.2 Ų102.22%0.01748%0.483CS..SBendtrans-72.5138.717900000111.7V49 K79 S83 S117 D122V49-A120 HydrophobicContact CG1-CB 4.1Å; V49-A120 HydrophobicContact CG2-CB 4.46Å; K79-A120 HydrophobicContact CD-CB 4.06Å; K79-A120 WeakPolarHBondContact CD-O 3.37Å; K79-A120 PolarHBondContact NZ-O 3.11Å; S83-A120 WeakPolarHBondContact OG-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.32Å; S117-A120 PolarHBondContact O-N 3.47Å; A120-D122 PolarHBondContact O-N 3.25Å
121A89.6Confident78.9Confident36 Ų36110 Ų11030%0.29849%0.489SS..PPolyproline II helixtrans-69.6131.1-177.200000112.4Y80Y80-A121 PolarHBondContact N-O 3.15Å
122D89.5Confident77.1Confident67 Ų67120.6 Ų120.636%0.35853%0.525SS..BIsolated β-bridgetrans-74139.6172.3-59.6-47.3000111.8R78 K79 A120 N124R78-D122 CarbonylContact O-C 3.56Å; R78-D122 WeakPolarHBondContact O-CA 3.42Å; K79-D122 WeakPolarHBondContact CD-OD1 3.36Å; K79-D122 WeakPolarHBondContact CE-OD1 3.44Å; K79-D122 IonicContact NZ-OD1 2.7Å; K79-D122 PolarHBondContact NZ-OD1 3.08Å; K79-D122 IonicContact NZ-OD2 3.8Å; A120-D122 PolarHBondContact O-N 3.25Å; D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.16Å
123R83.4Confident75.2Confident132 Ų132127.7 Ų127.750%0.49854%0.542SS..G310 helixtrans-65.2-28.5175.1-63.7-173.4-172.5-163.9-7112.6P77 R78 K79 Y80P77-R123 WeakPolarHBondContact O-CD 3.34Å; R78-R123 PolarHBondContact O-N 2.93Å; K79-R123 PolarHBondContact O-NE 3.02Å; K79-R123 PolarHBondContact O-NH2 2.85Å; Y80-R123 HydrophobicContact CD2-CG 4.4Å
124N75.3Confident73.3Confident105 Ų105128 Ų12856%0.56155%0.548SS*.G310 helixtrans-87.40.5-171.2-102.411.9000115.5D122 Y126 R127D122-N124 VanDerWaalsContact C-N 3.25Å; D122-N124 PolarHBondContact O-N 3.16Å; N124-Y126 PolarHBondContact O-N 3.08Å; N124-Y126 VanDerWaalsContact O-N 3.08Å; N124-R127 PolarHBondContact O-N 3.37Å; N124-R127 VanDerWaalsContact O-N 3.16Å
125R61.6Low71.6Confident166 Ų166133.6 Ų133.663%0.62659%0.585SS**G310 helixtrans-60.2-21.8179.2-89.2-165.6-82.4-157.3-2.6113.9
126Y54.3Low69.8Low217 Ų217132.6 Ų132.685%0.85159%0.59SS**G310 helixtrans-95.5-10179.2-76.3-81.8000115.5N124N124-Y126 PolarHBondContact O-N 3.08Å; N124-Y126 VanDerWaalsContact O-N 3.08Å
127R58.5Low68.1Low212 Ų212144.3 Ų144.380%0.863%0.633SS**THydrogen-bonded Turntrans-92-3.5176.7-70.9-171.4-176.5-178.92.6113.7N124N124-R127 PolarHBondContact O-N 3.37Å; N124-R127 VanDerWaalsContact O-N 3.16Å
128R56.3Low66.2Low222 Ų222147.8 Ų147.884%0.83867%0.669SS**  trans-97.614.4-176-134.1-178.1-153.7-111.94.9114.8P130R128-P130 WeakPolarHBondContact O-CD 3.18Å
129Y48.7Very low64.1Low204 Ų204143.2 Ų143.280%0.867%0.665SS**SBendtrans-88.5101.5146.5-84.5-87.6000106.2R131Y129-R131 VanDerWaalsContact C-N 3.34Å; Y129-R131 PolarHBondContact O-N 3.44Å
130P59.4Low62.1Low102 Ų102143.4 Ų143.466%0.66268%0.677SS**  trans-51.6116.2152.123.9-29.6000104.3R128 R132R128-P130 WeakPolarHBondContact O-CD 3.18Å; P130-R132 VanDerWaalsContact C-N 3.27Å; P130-R132 PolarHBondContact O-N 3.48Å
131R53.8Low59.5Low235 Ų235154.2 Ų154.289%0.88772%0.719SS**  trans-49.2112158.6-70.8-171.4-178.6-173.21102.7Y129 R133Y129-R131 VanDerWaalsContact C-N 3.34Å; Y129-R131 PolarHBondContact O-N 3.44Å; R131-R133 PolarHBondContact O-N 2.66Å
132R53.3Low57.5Low238 Ų238158.4 Ų158.490%0.89874%0.743SS**  trans-57.394163.4-80.7-148.6-167.4-97.68.5103.4P130 G134P130-R132 VanDerWaalsContact C-N 3.27Å; P130-R132 PolarHBondContact O-N 3.48Å; R132-G134 PolarHBondContact O-N 2.93Å
133R55.5Low55.3Low243 Ų243164.5 Ų164.592%0.91777%0.769SS**  trans-51108.8154-166.1168.8-173.7164.1-0.7101.3R131R131-R133 PolarHBondContact O-N 2.66Å
134G52.6Low53.1Low47 Ų47164.3 Ų164.349%0.48578%0.778SS.*PPolyproline II helixtrans-50159.3178.800000109.2R132R132-G134 PolarHBondContact O-N 2.93Å
135P59.5Low51.3Low120 Ų120170.6 Ų170.678%0.77980%0.796SS**SBendtrans-46.7131.5178.520.1-31000108.9R137P135-R137 PolarHBondContact O-N 2.81Å
136P54.6Low50.1Low121 Ų121170.8 Ų170.879%0.78680%0.803SS**PPolyproline II helixtrans-54.9116.7-178.221.2-30.2000108.2G138P136-G138 PolarHBondContact O-N 3.44Å
137R58.8Low49Very low253 Ų253166 Ų16696%0.95580%0.802SS**SBendtrans-71.6111.4163.5-96.6-173.5172.4169.7-3.3106.2P135P135-R137 PolarHBondContact O-N 2.81Å
138G52.7Low47.9Very low73 Ų73162.6 Ų162.675%0.75380%0.8SS**  trans96.2123.2167.400000113.5P136P136-G138 PolarHBondContact O-N 3.44Å
139G47.7Very low46.8Very low58 Ų58160.1 Ų160.160%0.59880%0.797SS**  trans148.283.4169.500000112.2
140D47.1Very low46Very low158 Ų158154.3 Ų154.385%0.84580%0.8SS**  trans72.887.1141.8-38.9-52.1000117.7
141Y36.7Very low44.5Very low230 Ų230158.2 Ų158.290%0.90281%0.809SS**  trans-75.5126150.7-91.2-95.6000107.9E143Y141-E143 PolarHBondContact O-N 3.02Å
142P48.5Very low44Very low123 Ų123151.9 Ų151.980%0.79980%0.799SS**  trans-70.3113.7166.827-29.5000109.1N144P142-N144 PolarHBondContact O-N 3.26Å
143E42.2Very low43.1Very low195 Ų195144.1 Ų144.191%0.91179%0.793SS**  trans-6599.1167-177163.5-161.500108.9Y141Y141-E143 PolarHBondContact O-N 3.02Å
144N38.1Very low42Very low129 Ų129138.7 Ų138.769%0.6979%0.792SS**  trans-161.593.7155.7-157.38.5000110.8P142P142-N144 PolarHBondContact O-N 3.26Å
145Y37.6Very low41Very low237 Ų237140 Ų14093%0.92981%0.806SS**  trans-153.5103.8140.3-103.2-78.7000108.1
146Q36.1Very low39.8Very low169 Ų169138.2 Ų138.279%0.7981%0.808SS**  trans9123.4151.1-138.1103.6-31.300117.9
147S30.8Very low38.6Very low116 Ų116144.3 Ų144.381%0.81182%0.816SS**  trans-55.1139.1169.4-450000114.1
148D34.9Very low37.2Very low142 Ų142138.1 Ų138.176%0.75980%0.802SS**  trans-160.2124.2145-143.1-132.1000108.8
149E33.5Very low36.4Very low169 Ų169142.5 Ų142.579%0.7980%0.8SS**SBendtrans66.2108159.9-37.1-64.597.300121.6
150G32.2Very low35.6Very low82 Ų82144.8 Ų144.885%0.84581%0.807SS**  trans112.998.3136.600000120.8
151E29.3Very low34.9Very low184 Ų184147 Ų14786%0.8680%0.803SS**  trans-33.7175.6159.7-83.7-109.2129.800119.6
152P41.9Very low34.7Very low103 Ų103143.3 Ų143.367%0.66980%0.795SS**  cis-135.5-175.4-43.537.9-19.3000113.3
153G33.8Very low33.8Very low75 Ų75141.6 Ų141.677%0.77380%0.799SS**  trans-62.7155.6-167.500000119.2G155G153-G155 PolarHBondContact O-N 3.3Å
154S33.8Very low33.3Very low128 Ų128135.5 Ų135.590%0.89579%0.789SS**  trans-76.6113166.662.10000110.8
155G32.2Very low32.9Very low76 Ų76138 Ų13878%0.78480%0.796SS**  trans-160.4118.1168.700000112.3G153G153-G155 PolarHBondContact O-N 3.3Å
156G32.6Very low32.7Very low81 Ų81134.4 Ų134.484%0.83579%0.793SS**  trans91.6100.615000000118
157R30.2Very low32.4Very low250 Ų250130.8 Ų130.894%0.94379%0.792SS**  trans-74.1132.1147.7-75.6174.6179.7169.8-1108.5
158D30.3Very low33Very low123 Ų123130.4 Ų130.466%0.65879%0.787SS**  -174143.2115.3-146.7-5.2000112.7
159K35Very low32.8Very low164 Ų164132.9 Ų132.971%0.71379%0.794SS**  trans50.7118.9148.3-87.3160.4-153.9144.10124.6
160S31.4Very low32.7Very low106 Ų106128.7 Ų128.774%0.74180%0.796SS**  90.2115.8115.571.90000121
161R31.6Very low32.8Very low204 Ų204132.3 Ų132.377%0.7780%0.796SS**  104.2121.9118.7-163.4169.7-176.1173.5-0.4119.5
162E32.7Very low33.1Very low154 Ų154128.1 Ų128.172%0.7279%0.787SS**  trans82.6122.1147.7-84.4162.9-168.200123.2
163G30.3Very low32.9Very low87 Ų87131.9 Ų131.990%0.89780%0.795SS**  trans80.2131.1147.100000116.8
164G32.1Very low33.3Very low67 Ų67136.2 Ų136.269%0.69180%0.796SS**  cis161.7140.75.400000107.9
165E29.2Very low33.7Very low180 Ų180139.2 Ų139.284%0.84180%0.795SS**  trans76.599152.3-50.1179166.700120.2
166N32.9Very low34.1Very low163 Ų163142.5 Ų142.587%0.87279%0.79SS**  171.3132.6104.4-87.7-69.2000110.9
167A29.1Very low34.2Very low93 Ų93149.4 Ų149.477%0.76979%0.791SS**  trans-95-178.917500000109.4
168P44.8Very low34.4Very low107 Ų107149.1 Ų149.170%0.69579%0.79SS**  cis-148-170.817.441.3-17.9000117.3
169E29.5Very low34.7Very low194 Ų194149.1 Ų149.191%0.90780%0.797SS**  trans89.8112.7156.7-69.5175-176.800119.6
170G32.2Very low34.9Very low81 Ų81144.7 Ų144.784%0.83580%0.798SS**  trans159.2102.3168.300000113.7
171D34.5Very low35.2Very low159 Ų159150.7 Ų150.785%0.8581%0.806SS**  trans-48.7143.3-167-91.6-52.5000121.4
172S35Very low35.7Very low96 Ų96147 Ų14767%0.67181%0.808SS**  trans23.3117.3144.966.50000122.4
173Q37Very low36.4Very low181 Ų181142.1 Ų142.185%0.84680%0.8SS**  18.5115.4126.1-61.3176.517.400118.8
174Q43Very low36.9Very low166 Ų166149.3 Ų149.378%0.77680%0.8SS**  -171.1104.4110.3-102.4170.743.400111.7
175Q42.2Very low37.7Very low191 Ų191157.8 Ų157.889%0.89381%0.811SS**  trans-69.6119162-67.7167.213.700109.1
176Q40.8Very low38.1Very low145 Ų145160.6 Ų160.668%0.67881%0.814SS**  trans-142.3102.6157.6-68.8-161.747.400112.9
177R33.6Very low38.3Very low227 Ų227163 Ų16386%0.85781%0.812SS**  trans84.299.8143.8-52.7-160.6-176.5-129.70.2120.6
178R36.5Very low39.1Very low243 Ų243163.8 Ų163.892%0.91781%0.809SS**PPolyproline II helixtrans-72.1141.7147.1-67.8179.3169.5-173.2-3.9110.6
179P35.9Very low39.1Very low123 Ų123163.9 Ų163.980%0.79981%0.81SS**PPolyproline II helixtrans-77.9122157.6-10.126.8000110.2
180G37.8Very low39.7Very low71 Ų71163.9 Ų163.973%0.73280%0.803SS**PPolyproline II helixtrans-75.6130.8173.500000111.8P182G180-P182 WeakPolarHBondContact O-CD 3.35Å
181Y38.1Very low40.3Very low233 Ų233168.9 Ų168.991%0.91480%0.802SS**PPolyproline II helixtrans-66120.4167.5-79.6-92.4000110.1G183Y181-G183 PolarHBondContact O-N 3.2Å
182P42.7Very low40.7Very low125 Ų125168.4 Ų168.481%0.81280%0.804SS**  trans-87.9102.6172.832.8-26.1000108.7G180 R184G180-P182 WeakPolarHBondContact O-CD 3.35Å; P182-R184 PolarHBondContact O-N 2.98Å
183G46.5Very low40.9Very low53 Ų53175.1 Ų175.155%0.54682%0.815SS.*  trans-70.1121.3162.100000109.9Y181Y181-G183 PolarHBondContact O-N 3.2Å
184R41.1Very low40.8Very low238 Ų238178.4 Ų178.490%0.89882%0.82SS**  trans-154128.3150-80.3-51.5175.8-100.48112.1P182P182-R184 PolarHBondContact O-N 2.98Å
185R49.6Very low40.4Very low244 Ų244181.2 Ų181.292%0.92182%0.823SS**  trans-32.7134.8154.9-62.2172.3175-147.2-2.4112
186R38.3Very low40.3Very low240 Ų240183 Ų18391%0.90682%0.823SS**  trans-126106.9164.9-150.5174.3-121.3-135.11.2109.3
187Y37Very low40.2Very low214 Ų214179.7 Ų179.784%0.83983%0.828SS**PPolyproline II helixtrans-57.9146.8160.5-113.7-102.4000109.2P189Y187-P189 WeakPolarHBondContact O-CD 3.37Å
188P45.7Very low40.4Very low108 Ų108180.2 Ų180.270%0.70183%0.83SS**PPolyproline II helixtrans-76.3122.7173.729.2-29.6000110
189P44.9Very low40.5Very low109 Ų109179.6 Ų179.671%0.70883%0.828SS**PPolyproline II helixtrans-79.7128.9166.432.3-29.3000109Y187Y187-P189 WeakPolarHBondContact O-CD 3.37Å
190Y40.5Very low40.7Very low194 Ų194179.4 Ų179.476%0.76183%0.827SS**PPolyproline II helixtrans-60.7145.816140.1-98.8000111.2
191F45.4Very low41.1Very low186 Ų186181.5 Ų181.582%0.81683%0.828SS**  trans66.1101.4164.2-52.6-71.8000119.4
192V44.2Very low41Very low149 Ų149181.3 Ų181.390%0.90383%0.827SS**  trans-126.3126.1136.7-177.50000109.5
193R37.7Very low40.8Very low237 Ų237181.5 Ų181.589%0.89483%0.826SS**  trans-62.1127.7-178.7-64.2163.8174.1-102.60.8110.6
194R35.4Very low40.4Very low251 Ų251186.8 Ų186.895%0.94784%0.842SS**  trans-85.8114.8167.9-167.9171.8-101.2-119.10.4108.6
195R34.9Very low40.4Very low224 Ų224180 Ų18085%0.84584%0.836SS**  trans-73.2144.2171.9-175.5179.6-86.5-110.22.2109.3
196Y39.3Very low40.2Very low228 Ų228174.1 Ų174.189%0.89483%0.83SS**  trans-32.8146-175.8-59.8-94000119.7
197G39.6Very low40Very low76 Ų76174.6 Ų174.678%0.78483%0.832SS**  trans120.796.8143.200000117.8
198R37.4Very low39.9Very low239 Ų239167.9 Ų167.990%0.90283%0.827SS**  163.3118.9128.5-102.1-174170.7-93.52.7111.5
199R37.9Very low39.3Very low229 Ų229171.3 Ų171.386%0.86483%0.834SS**PPolyproline II helixtrans-68.9145.6162.3-83.7167.7138.6-177.8-7.3109.9
200P40.5Very low39.2Very low120 Ų120173.7 Ų173.778%0.77984%0.837SS**PPolyproline II helixtrans-76144.1166.4-7.124.1000111.2
201P47.3Very low39Very low115 Ų115171.3 Ų171.375%0.74784%0.843SS**PPolyproline II helixtrans-78.8138.8176.932-31.8000111.5
202Y35.5Very low38.8Very low229 Ų229171.8 Ų171.890%0.89885%0.848SS**PPolyproline II helixtrans-72.7127.6165.7-118.4-99.8000108.6
203T38.8Very low38.3Very low129 Ų129168.4 Ų168.479%0.79184%0.843SS**PPolyproline II helixtrans-85.4125.1172.5420000110.2
204N37.8Very low38Very low164 Ų164160.4 Ų160.488%0.87783%0.834SS**PPolyproline II helixtrans-72.6147.4170.2-76.1-41.6000111.5
205A39.8Very low37.9Very low94 Ų94158.2 Ų158.278%0.77784%0.835SS**  trans-124160.416200000108.8
206P45.6Very low37.8Very low122 Ų122151.1 Ų151.179%0.79283%0.831SS**  trans-102.7154.1-132.837.3-35.9000117.3
207R35.2Very low37.6Very low250 Ų250148 Ų14894%0.94383%0.83SS**  trans23.5117.6141.7-164.3180-173.91551.9119.9
208G34Very low37.6Very low72 Ų72152.5 Ų152.574%0.74283%0.831SS**  127.3105.3124.900000116.2
209E33.1Very low37.7Very low180 Ų180144.9 Ų144.984%0.84183%0.827SS**  -168.6130.9124.8-142.6164.6177.800110.1
210M42.1Very low37.6Very low160 Ų160143.3 Ų143.379%0.78883%0.829SS**  trans-60.7140.4173.944-122151.300113.1
211T38.3Very low37.3Very low143 Ų143141.3 Ų141.388%0.87783%0.83SS**  trans-173116.7132.5-68.70000109
212E39.4Very low36.6Very low197 Ų197139.5 Ų139.592%0.92183%0.832SS**  trans-87.8136.4169.5178.3177.7179.300108.5
213G34.2Very low37.4Very low78 Ų78134.8 Ų134.880%0.80483%0.83SS**  trans172.4122.4169.600000114.8
214G32Very low37.2Very low68 Ų68135.4 Ų135.470%0.70183%0.828SS**  trans102.391.1161.200000113.9
215E33Very low37.3Very low205 Ų205136.3 Ų136.396%0.95883%0.827SS**  55.1121.279.9-62-173.7148.900113.6
216G32.8Very low37Very low75 Ų75135.2 Ų135.277%0.77383%0.825SS**  trans149.890.3160.900000117.2
217D36Very low36.7Very low163 Ų163136.7 Ų136.787%0.87283%0.826SS**  92.6134.4122.9-151.2-131000121.4
218E39Very low37.1Very low171 Ų171134.4 Ų134.480%0.79982%0.823SS**  trans-90.3143.6-168.5-52.5177.9151.800110.5
219G38.8Very low37.5Very low79 Ų79136 Ų13681%0.81482%0.821SS**  trans-160.687.9177.100000113
220Q36.2Very low38.3Very low195 Ų195133.7 Ų133.791%0.91182%0.818SS**  trans-62.6148.4174.9-62.8166.840.200112.4
221G33.4Very low38.2Very low78 Ų78137.3 Ų137.380%0.80482%0.823SS**  trans172.8107.7164.500000114
222G32.9Very low38.2Very low77 Ų77137.5 Ų137.579%0.79481%0.814SS**  trans-71-168-167.700000119
223P52.3Low38.1Very low130 Ų130135.9 Ų135.984%0.84481%0.812SS**  trans-99.5141.2-155.636.5-29.9000113.1
224D35.5Very low38.2Very low143 Ų143141.5 Ų141.577%0.76581%0.81SS**  trans-155.4153149.5-153.114.2000113.7
225Q39.9Very low38.6Very low182 Ų182149.4 Ų149.485%0.8582%0.82SS**  trans-67.7154.6-164.9-60.415364.200113.9
226G32.6Very low38.9Very low71 Ų71149.8 Ų149.873%0.73281%0.813SS**  trans162.688.1161.700000117
227N39.5Very low39.3Very low153 Ų153149.7 Ų149.782%0.81881%0.813SS**  trans46.6101.2140.1-93.2-30.6000119.9
228K43.5Very low39.3Very low203 Ų203150.3 Ų150.388%0.88381%0.808SS**  trans-13999141.9-68.8-174.7-177172.90110.5V230K228-V230 PolarHBondContact O-N 2.94Å
229P43.1Very low39.5Very low106 Ų106152.8 Ų152.869%0.68881%0.81SS**  trans-76.9121.8167.629.7-29.3000109.7R231P229-R231 PolarHBondContact O-N 3.18Å
230V49.6Very low39.9Very low130 Ų130155.2 Ų155.279%0.78881%0.811SS**  trans-41.4119.4160.5-179.60000109.9K228K228-V230 PolarHBondContact O-N 2.94Å
231R39.2Very low40Very low237 Ų237151.3 Ų151.389%0.89481%0.805SS**  trans-113.4107.9162.6-80.8-164.4177.9-1151.4111.1P229P229-R231 PolarHBondContact O-N 3.18Å
232Q40.2Very low40.9Very low146 Ų146159.5 Ų159.568%0.68281%0.812SS**  trans-49.9135.3169.7-69.9156.3-10.400112.1Y234Q232-Y234 HydrophobicContact CB-CE2 4.43Å; Q232-Y234 PolarHBondContact O-N 3.2Å
233N36.9Very low41.6Very low163 Ų163158.9 Ų158.987%0.87281%0.805SS**  trans-52.5113.4160-102.214.3000110.5
234Y34.8Very low41.9Very low196 Ų196158.5 Ų158.577%0.76980%0.803SS**  trans-106.2108.3155.5-85.5-86.8000109.2Q232 R236Q232-Y234 HydrophobicContact CB-CE2 4.43Å; Q232-Y234 PolarHBondContact O-N 3.2Å; Y234-R236 PolarHBondContact O-N 3.2Å
235Y42.2Very low42.3Very low234 Ų234157.9 Ų157.992%0.91881%0.807SS**  trans-59.4101.7159.7-134.2-98.6000107.5
236R37.8Very low42.8Very low213 Ų213160.5 Ų160.580%0.80481%0.809SS**  trans-120.2103.4171.9-147.8177-149.8-1354.6107.9Y234 F238Y234-R236 PolarHBondContact O-N 3.2Å; R236-F238 PolarHBondContact O-N 3.37Å
237G42.3Very low43.5Very low74 Ų74163 Ų16376%0.76381%0.813SS**  trans-57.3132168.400000109.6
238F34.7Very low43.7Very low175 Ų175166.9 Ų166.977%0.76882%0.815SS**  trans-128.7116.1176-143.8-98.4000109.9R236R236-F238 PolarHBondContact O-N 3.37Å
239R44.4Very low43.6Very low223 Ų223163.3 Ų163.384%0.84281%0.813SS**  trans-67139.8167.6-66.7174.7176.5-161.6-1.5108.6S241R239-S241 PolarHBondContact O-N 3.4Å; R239-S241 VanDerWaalsContact O-N 3.09Å
240P45.9Very low43.6Very low131 Ų131164.2 Ų164.285%0.85182%0.816SS**  trans-77.799.7169.829.4-28.7000109.4R242P240-R242 PolarHBondContact O-N 3.21Å
241S39.9Very low43.1Very low112 Ų112169.8 Ų169.878%0.78382%0.823SS**  trans-68.7122159-1070000108.6R239 G243R239-S241 PolarHBondContact O-N 3.4Å; R239-S241 VanDerWaalsContact O-N 3.09Å; S241-G243 PolarHBondContact O-N 3.49Å
242R52Low42.9Very low251 Ų251165 Ų16595%0.94782%0.815SS**  trans-62.3109.1166.1-72.2173.5175.1163.6-2.9108.6P240P240-R242 PolarHBondContact O-N 3.21Å
243G47.6Very low42.8Very low63 Ų63163 Ų16365%0.64982%0.818SS**PPolyproline II helixtrans-85.8155.8164.500000111.2S241S241-G243 PolarHBondContact O-N 3.49Å
244P57.8Low42.7Very low123 Ų123164.3 Ų164.380%0.79982%0.819SS**PPolyproline II helixtrans-70.9157.4-179.330.9-33.6000111.6
245P45Very low43Very low130 Ų130163.8 Ų163.884%0.84482%0.823SS**PPolyproline II helixtrans-71.2142.3-172.829.6-33.5000112.1
246R50.5Low42.9Very low236 Ų236160.6 Ų160.689%0.89182%0.822SS**PPolyproline II helixtrans-76.9144.4172.9-69.8-179.4165.9-176.2-5.9111
247P46.9Very low43.3Very low125 Ų125159.6 Ų159.681%0.81282%0.823SS**PPolyproline II helixtrans-74.4152.6172.730.9-31.7000111.5
248R43Very low43Very low233 Ų233165 Ų16588%0.87983%0.829SS**PPolyproline II helixtrans-78.3149179.4-66.3179175.8174.2-1.9110.8
249P41Very low43Very low129 Ų129164.5 Ų164.584%0.83883%0.834SS**PPolyproline II helixtrans-72.3142.5175.929.6-32.2000111.6
250V43.5Very low42.8Very low124 Ų124163 Ų16375%0.75284%0.837SS**PPolyproline II helixtrans-73.1137.8174.4-1790000108.7
251R39.4Very low42.1Very low247 Ų247160.8 Ų160.893%0.93284%0.837SS**  trans-103.6101.3175.3-160.5-178.5-162.7-175.62.3106.6
252D35.7Very low41.7Very low137 Ų137159 Ų15973%0.73384%0.836SS**  trans-77.5128.2167-69.7-38.2000108.3
253S36.8Very low40.8Very low105 Ų105156.8 Ų156.873%0.73484%0.837SS**  trans177.3130.1132.3-670000109.8
254E36.1Very low40.1Very low190 Ų190157.7 Ų157.789%0.88885%0.846SS**  trans101.5110.6152.4-68.9155.6173.500118
255E40.8Very low38.9Very low184 Ų184155.2 Ų155.286%0.8684%0.843SS**  trans-56.8135.3172.5-60.216813500111
256D39.9Very low38.4Very low167 Ų167157.9 Ų157.989%0.89384%0.844SS**  -158.2140.3126.9-97-34.4000110
257K45.3Very low37.9Very low192 Ų192154 Ų15484%0.83584%0.841SS**  trans-76.4171.1-169.5-69.9172.1176.9166.60112.1
258E36.6Very low37.8Very low189 Ų189157.1 Ų157.188%0.88385%0.845SS**  trans83.6113.3168.3-51.9179.316700113.2
259N34.8Very low37.6Very low163 Ų163154.3 Ų154.387%0.87284%0.842SS**  cis-164.2145.149.8-156.1-8.9000110.1
260Q39.6Very low37.7Very low192 Ų192154.2 Ų154.290%0.89784%0.841SS**  trans-87156.2177.8-71.6179.1800112.2
261G31.4Very low37.6Very low84 Ų84159.9 Ų159.987%0.86685%0.849SS**  trans117132.5162.700000112.2
262G31.7Very low37.8Very low74 Ų74157 Ų15776%0.76385%0.847SS**  cis175.71455.400000107.1
263E33.6Very low38.1Very low206 Ų206161.8 Ų161.896%0.96385%0.854SS**  trans0.4141.5164-60.6174.5129.400121.7
264G32.8Very low38.1Very low81 Ų81167.5 Ų167.584%0.83586%0.86SS**  trans13794.2135.900000118.6
265G32.5Very low38Very low72 Ų72169.2 Ų169.274%0.74286%0.86SS**  89.8121124.800000122.2
266Q35.7Very low38Very low185 Ų185171.4 Ų171.486%0.86486%0.86SS**  trans91.382.1134.6-53-176.9-0.500120.6
267N39.8Very low37.8Very low155 Ų155173.1 Ų173.183%0.82985%0.854SS**  34.596.6112.2-158.115.9000118.9
268Q43.3Very low37.3Very low191 Ų191171 Ų17189%0.89385%0.852SS**  trans-145135.3151.1-66.3-168.337.100112.3
269Q40Very low37.2Very low174 Ų174170.4 Ų170.481%0.81384%0.843SS**PPolyproline II helixtrans-66.5156.4-173.8-64.4177.7-6.300114.4R271Q269-R271 PolarHBondContact O-N 3.48Å
270P42.3Very low37.7Very low127 Ų127168.9 Ų168.983%0.82583%0.834SS**PPolyproline II helixtrans-78.1120.3-174.530.3-33.1000112.7Q272P270-Q272 PolarHBondContact O-N 3.09Å
271R41.8Very low37.7Very low243 Ų243171 Ų17192%0.91784%0.836SS**PPolyproline II helixtrans-71119.5169.9-71.2-167.9173.4-166.1-0.6110.5Q269 R273Q269-R271 PolarHBondContact O-N 3.48Å; R271-R273 PolarHBondContact O-N 3.05Å
272Q43.9Very low38.2Very low187 Ų187178.4 Ų178.487%0.87484%0.838SS**  trans-61.3113.8175.7-62.1-168.57.400111.5P270 R274P270-Q272 PolarHBondContact O-N 3.09Å; Q272-R274 PolarHBondContact O-N 3.42Å
273R41.1Very low38.6Very low237 Ų237185.1 Ų185.189%0.89484%0.84SS**  trans-73.1103.8169.9-92.4-178.5173.1-168.6-1.5109.9R271 Y275R271-R273 PolarHBondContact O-N 3.05Å; R273-Y275 PolarHBondContact O-N 3.21Å
274R37.8Very low38.8Very low225 Ų225184.5 Ų184.585%0.84983%0.829SS**  trans-65.8111.6164.6-69.6-174.6-179.6-158.71.7109.2Q272 R276Q272-R274 PolarHBondContact O-N 3.42Å; R274-R276 PolarHBondContact O-N 3.29Å
275Y33.8Very low39Very low226 Ų226191.9 Ų191.989%0.88683%0.831SS**  trans-66.896.8165-85.8-91.8000109.5R273 R277R273-Y275 PolarHBondContact O-N 3.21Å; Y275-R277 PolarHBondContact O-N 3.38Å
276R41.2Very low39.3Very low230 Ų230196.6 Ų196.687%0.86883%0.834SS**  trans-83.9100.5160.6-79.3-170.1171.7-165.7-0.7108.1R274 N278R274-R276 PolarHBondContact O-N 3.29Å; R276-N278 PolarHBondContact O-N 3.41Å
277R36Very low39.4Very low203 Ų203196.6 Ų196.677%0.76683%0.834SS**  trans-84.3104.7171.9-164.5162.5-141.5177.71108.6Y275 Y279Y275-R277 PolarHBondContact O-N 3.38Å; R277-Y279 HydrophobicContact CG-CD2 3.78Å; R277-Y279 HydrophobicContact CG-CE2 4Å
278N33Very low39.4Very low148 Ų148196.2 Ų196.279%0.79184%0.838SS**  trans-94.6103.7172.9-151.722.9000108.3R276R276-N278 PolarHBondContact O-N 3.41Å
279Y36.2Very low39Very low175 Ų175190.9 Ų190.969%0.68683%0.834SS**  trans-113.1102.7165.8-90.5-67.5000108.1R277R277-Y279 HydrophobicContact CG-CD2 3.78Å; R277-Y279 HydrophobicContact CG-CE2 4Å
280N45.3Very low38.7Very low131 Ų131186.3 Ų186.370%0.70183%0.834SS**  trans-139.590.2161.7-89.9-26.6000108.8
281Y37.8Very low38.8Very low236 Ų236190.2 Ų190.293%0.92584%0.838SS**  trans-123.985.9150.4-80.3-71.3000108.4
282R43.1Very low38.8Very low241 Ų241184.6 Ų184.691%0.90983%0.833SS**  trans-108.190163.4-153.5-176.5-138.3-173.75.7107.1
283R38.9Very low38.4Very low215 Ų215179 Ų17981%0.81183%0.825SS**  trans-176.6136.8163.6-106.8178.5-162-142.82.8105.5
284R39.7Very low38.3Very low193 Ų193177 Ų17773%0.72883%0.826SS**  cis-166.2122.421.4166.1179.7-88.8-139.4-5.2107.1
285R35.3Very low38.2Very low235 Ų235175.1 Ų175.189%0.88783%0.827SS**  trans-79.1116.4166.5-174.3177.8-170.4-120.32.5106.8Q287R285-Q287 PolarHBondContact O-N 3.32Å
286Q39.4Very low38.3Very low172 Ų172172.4 Ų172.480%0.80483%0.827SS**  trans-73.1124.1170.7-65.1-159.33500108.6
287Q38Very low38.4Very low184 Ų184170.3 Ų170.386%0.8682%0.824SS**  trans-77.4114.7170.8-68172.1-5.800107.1R285R285-Q287 PolarHBondContact O-N 3.32Å
288T39.6Very low38.4Very low148 Ų148169.1 Ų169.191%0.90883%0.828SS**  trans-88.3108.2161.545.20000107.6
289G35.4Very low38.6Very low79 Ų79167.4 Ų167.481%0.81483%0.834SS**  trans-161.3103175.200000109.9
290G33.5Very low38.8Very low78 Ų78168.4 Ų168.480%0.80484%0.842SS**  trans-179.799.317400000111.3
291K43.8Very low38.3Very low208 Ų208169 Ų16990%0.90485%0.851SS**  trans-70.1161.5165.2-69.8177.7173.5-179.20110.2
292P43.1Very low38.1Very low126 Ų126161.7 Ų161.782%0.81885%0.846SS**  -133.4149125.925.7-8.4000113.9
293G34.5Very low37.6Very low68 Ų68154.1 Ų154.170%0.70184%0.844SS**  trans-70.1146.517200000112.1
294Q39.1Very low37.6Very low197 Ų197151.7 Ų151.792%0.92185%0.847SS**  59.595.488.8-79-167.6-14.900114.6
295E35.8Very low38.5Very low185 Ų185147.8 Ų147.886%0.86485%0.847SS**  trans-167.5116.8140.1-110.2172.8-170.900109.5
296N35.7Very low38.4Very low169 Ų169142 Ų14290%0.90484%0.842SS**  trans179.5126.6132.1-90.4-26.9000111.3
297K43.1Very low38.6Very low185 Ų185138.2 Ų138.280%0.80484%0.84SS**  trans-87.8142.3176.6-81-179173.3-179.40111.3
298E36.7Very low38.7Very low179 Ų179137.7 Ų137.784%0.83684%0.837SS**  trans39.8115.9136.3-61.3173.4147.800120.5
299A37.1Very low38.8Very low111 Ų111139.6 Ų139.692%0.91783%0.833SS**  -147.8137.9128.100000110.1
300K40Very low39.1Very low196 Ų196142.7 Ų142.785%0.85284%0.837SS**  trans-103159.3-169.1178.5178.3-177.9177.80109.4
301T35.5Very low39.5Very low145 Ų145144.9 Ų144.989%0.8984%0.839SS**  trans112.6124.2168.365.70000111.7
302G33.3Very low39.8Very low81 Ų81139.6 Ų139.684%0.83584%0.835SS**  cis154.7144.57.900000107.4
303G31.4Very low40.6Very low83 Ų83139.5 Ų139.586%0.85683%0.834SS**  trans102.893.2160.200000118
304D39.3Very low40.7Very low164 Ų164144.2 Ų144.288%0.87784%0.838SS**  trans-76.2172.8136.8-89.5-49000109
305P58.4Low41.2Very low111 Ų111140 Ų14072%0.72184%0.837SS**  cis-136.7173.75.532.6-11.8000114.5
306S34.3Very low41.7Very low114 Ų114139.1 Ų139.180%0.79783%0.833SS**  163.8114126.1-720000114.6
307A43.2Very low42.4Very low91 Ų91140.4 Ų140.475%0.75283%0.833SS**  trans22.9149.4135.900000124.7
308E39Very low42.8Very low173 Ų173135.5 Ų135.581%0.80884%0.836SS**  trans77.8135.1159.2-44-164.4148.400116.6
309K42.6Very low43.5Very low189 Ų189130.4 Ų130.482%0.82283%0.831SS**  cis-151.1142.537.1-81.6177.6174.5174.70113.4
310T41.1Very low44.4Very low144 Ų144130 Ų13088%0.88383%0.827SS**  trans-77.9148.8166.3390000112.8
311S42.4Very low44.7Very low123 Ų123133.4 Ų133.486%0.8685%0.847SS**  trans-78.2146.2178.318.40000114
312A49.3Very low45.2Very low98 Ų98132.9 Ų132.981%0.8184%0.844SS**  trans-157.6137.7154.900000110.1
313P60.4Low45.8Very low124 Ų124135.6 Ų135.681%0.80585%0.845SS**  trans-103.1136.4174.135.5-27.2000113.6
314E37.7Very low46.6Very low167 Ų167138.5 Ų138.578%0.7884%0.844SS**  30.6114.5129.6-149.8170.2169.300119.9
315A48.4Very low47.1Very low109 Ų109137 Ų13790%0.90184%0.842SS**  trans-136.8128.5154.700000109.4
316Q47.3Very low46.3Very low166 Ų166138.6 Ų138.678%0.77685%0.85SS**  trans-117.7129.1-170.7-149.6170.647.700108.2
317Q51.1Low47.1Very low195 Ų195140.3 Ų140.391%0.91185%0.853SS**  trans-176.8108.8161.1-98.4163.337.900103.5
318G50.6Low47.4Very low83 Ų83143.8 Ų143.886%0.85686%0.861SS**  67.7117.661.700000108.8
319G51.8Low48.1Very low72 Ų72141.5 Ų141.574%0.74287%0.865SS**  cis1761713.200000106.5
320A56.3Low48.5Very low102 Ų102137.6 Ų137.684%0.84387%0.868SS**  trans33.9131.4154.200000119.4
321E46.1Very low49.2Very low268 Ų268137 Ų137100%1.25287%0.867SS**  cis-162.9030.3-111.8173.6148.300107.5

Retrieved 321 of 321 residues in 265 ms (Link to these results)