A0A096MNW6_PAPAN Loading...

E2F transcription factor 5

AlphaFold DB , UniProt , Accession A0A096MNW6, Species PAPAN (Papio anubis, Olive baboon), Gene E2F5, Length 346 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
1M36.2Very low38.2Very low248 Ų248128.5 Ų128.5100%1.22284%0.835SS**  0134.80-63167170.800107.2
2A37.5Very low38Very low90 Ų90132 Ų13274%0.74483%0.832SS**  cis-151.2129.1-17.100000105
3A36Very low37.9Very low103 Ų103128.9 Ų128.985%0.85183%0.826SS**  54.2104.182.100000114.4
4A38.9Very low38.5Very low101 Ų101128.5 Ų128.584%0.83582%0.824SS**  trans178.1123.6140.300000112.5
5E40.3Very low39.1Very low187 Ų187128.4 Ų128.487%0.87482%0.824SS**  trans-81.3165.8144.3-68.1-176107.700109
6P54.5Low38.9Very low124 Ų124125.3 Ų125.381%0.80582%0.823SS**  -144.1131.1128.932.8-16.5000116.7
7A37.8Very low38.8Very low92 Ų92129.6 Ų129.676%0.7683%0.83SS**  trans39.4109.6132.700000121.9
8S36.8Very low38.8Very low110 Ų110126.7 Ų126.777%0.76983%0.828SS**  22.4125.3116.1-172.50000120.1
9S36.8Very low38.7Very low117 Ų117130.7 Ų130.782%0.81883%0.834SS**  169.8132.8111.8-75.60000115.6
10G32.7Very low38.7Very low67 Ų67128 Ų12869%0.69183%0.831SS**  94109.8126.700000122.2
11Q32.8Very low38.7Very low174 Ų174131.4 Ų131.481%0.81384%0.836SS**  trans70.1161.8146-52.8-174.320.900117
12Q35.6Very low38.9Very low171 Ų171130.8 Ų130.880%0.79982%0.82SS**  cis-149.8166.57.7-147.7169.576.100110.7
13A36.3Very low39.1Very low92 Ų92132.3 Ų132.376%0.7682%0.823SS**  trans-146.1138.917500000112.9
14P46.6Very low39.4Very low123 Ų123136.2 Ų136.280%0.79982%0.823SS**  trans-103.8168.416736.4-27.8000112.9
15P47.4Very low39.4Very low127 Ų127137.3 Ų137.383%0.82582%0.822SS**  trans-116.6166.8-144.940.5-32.6000116.9
16G36.6Very low39.7Very low78 Ų78137.1 Ų137.180%0.80482%0.821SS**  trans-130.6135.1163.400000110.9
17Q37.5Very low39Very low200 Ų200136.9 Ų136.994%0.93582%0.82SS**  trans-97.4144.6-174.8-64.4178-7.400112.2
18G37.9Very low39.3Very low77 Ų77138.6 Ų138.679%0.79482%0.823SS**  trans-166115.1170.300000111
19Q37.8Very low39.6Very low203 Ų203142 Ų14295%0.94983%0.827SS**  trans-91.2140.1-177.1-64.2-178.50.700111.7
20G37.8Very low39.8Very low76 Ų76141.5 Ų141.578%0.78483%0.83SS**  trans-168.4106.8172.200000111.2
21Q38.8Very low40.2Very low200 Ų200147 Ų14794%0.93584%0.837SS**  trans-83.3139.1-174.9-61.8178.25.700112.1
22R39.6Very low40.8Very low234 Ų234143 Ų14388%0.88383%0.834SS**  trans-150.8140.1156.4-153.7171.1-174.2-147-0.7110.6
23P42.5Very low41.1Very low123 Ų123141 Ų14180%0.79984%0.836SS**PPolyproline II helixtrans-72.1155-172.8-19.933.8000114.8
24Q42.3Very low41.5Very low185 Ų185145.2 Ų145.286%0.86484%0.84SS**PPolyproline II helixtrans-80146.6170-66.5-180-7.800111.7
25P39.2Very low41.7Very low124 Ų124144.8 Ų144.881%0.80584%0.837SS**PPolyproline II helixtrans-81.5146.8169.733.6-33.4000112.1
26Q45.6Very low42Very low183 Ų183144.3 Ų144.386%0.85583%0.834SS**PPolyproline II helixtrans-82.7152.2170.2-69.9177.6-14.800111.3
27P41.5Very low42.7Very low119 Ų119145.9 Ų145.977%0.77383%0.83SS**PPolyproline II helixtrans-72.2135.2175.129.9-34.1000111.3
28P43.3Very low43.2Very low128 Ų128142.5 Ų142.583%0.83183%0.826SS**PPolyproline II helixtrans-73.8136.1178.429.6-33.9000111.8
29Q42.5Very low43.7Very low181 Ų181147.9 Ų147.985%0.84683%0.83SS**PPolyproline II helixtrans-73.1144.7169.9-67.8177.8-1600110.6Q31Q29-Q31 PolarHBondContact O-N 3.1Å
30A41.1Very low43.8Very low107 Ų107147.4 Ų147.488%0.88483%0.828SS**PPolyproline II helixtrans-72.6127.7176.800000111.3
31Q40.6Very low44.1Very low181 Ų181152.8 Ų152.885%0.84684%0.838SS**  trans-118.8140.9166-69.4-173.2-7.200109.4Q29Q29-Q31 PolarHBondContact O-N 3.1Å
32A45.7Very low44.1Very low90 Ų90147 Ų14774%0.74483%0.831SS**PPolyproline II helixtrans-70.3145.417900000111.3Q34A32-Q34 PolarHBondContact O-N 2.82Å
33P42Very low43.9Very low130 Ų130139.6 Ų139.684%0.84483%0.828SS**PPolyproline II helixtrans-69.5128.9-177.828.1-34.5000111.7
34Q45.1Very low44.2Very low181 Ų181139.3 Ų139.385%0.84684%0.836SS**PPolyproline II helixtrans-81.6151.8166.8-70.5-163-4.700111.2A32A32-Q34 PolarHBondContact O-N 2.82Å
35P50.3Low44.5Very low113 Ų113134.4 Ų134.473%0.73484%0.835SS**PPolyproline II helixtrans-69.1149.6176.729.6-35.5000111.9
36P54.6Low44.7Very low117 Ų117131.4 Ų131.476%0.7683%0.826SS**PPolyproline II helixtrans-71.9151.4177.830.7-35.4000112.1
37P51Low44.7Very low111 Ų111126.1 Ų126.172%0.72182%0.821SS**PPolyproline II helixtrans-69.6151.8176.329.9-35.4000112Q39P37-Q39 PolarHBondContact O-N 2.96Å
38P48.6Very low45.2Very low130 Ų130124.3 Ų124.384%0.84481%0.812SS**PPolyproline II helixtrans-69.1124.3-177.828-34.5000111.7
39Q47.4Very low45.8Very low190 Ų190120.6 Ų120.689%0.88879%0.788SS**PPolyproline II helixtrans-77.2140.7171-66.9-174.4-800110.6P37P37-Q39 PolarHBondContact O-N 2.96Å
40Q39.7Very low46.6Very low193 Ų193122.4 Ų122.490%0.90279%0.788SS**PPolyproline II helixtrans-67.4150.2-178.8-74.5176.7-37.300112.5G42Q40-G42 PolarHBondContact O-N 3.49Å
41L46Very low47.5Very low189 Ų189124 Ų12499%0.9978%0.776SS**PPolyproline II helixtrans-64.6117.9172.3-74.7120.5000111
42G38.6Very low48.6Very low77 Ų77120.7 Ų120.779%0.79476%0.761SS**  trans-163.6117.1170.800000111.9Q40Q40-G42 PolarHBondContact O-N 3.49Å
43G35.3Very low49.9Very low80 Ų80123.1 Ų123.183%0.82576%0.755SS**  trans96.368.7171.600000116.1G45G43-G45 PolarHBondContact O-N 3.3Å
44A49Very low51.8Low117 Ų117119.4 Ų119.497%0.96773%0.732SS**  trans-74.5100.6162.200000110.2
45G47Very low53.7Low81 Ų81114.2 Ų114.284%0.83571%0.709SS**  trans156.298.7173.600000114G43G43-G45 PolarHBondContact O-N 3.3Å
46G44.5Very low55.5Low61 Ų61110.6 Ų110.663%0.62969%0.693SS**  trans160.4-18.5171.500000117.4S48G46-S48 PolarHBondContact O-N 2.94Å
47G44.9Very low57Low72 Ų72107.9 Ų107.974%0.74267%0.672SS**SBendtrans-62.2-33.2-170.700000116.2
48S52.3Low58.8Low82 Ų82103.9 Ų103.957%0.57364%0.644SS**Hα-helixtrans-62.8-46.6-176.344.10000113.2G46 R50 H51G46-S48 PolarHBondContact O-N 2.94Å; S48-R50 PolarHBondContact O-N 3.4Å; S48-H51 PolarHBondContact O-N 3.14Å; S48-H51 VanDerWaalsContact O-N 3.11Å
49S54.9Low60.8Low49 Ų4999.9 Ų99.934%0.34362%0.617SS.*Hα-helixtrans-783.4-164.1-146.50000115.8E52 K53S49-E52 WeakPolarHBondContact CA-OE2 3.21Å; S49-E52 PolarHBondContact OG-OE2 3.2Å; S49-K53 PolarHBondContact O-NZ 3.2Å; S49-K53 PolarHBondContact OG-NZ 2.6Å
50R59.3Low62.7Low220 Ų22095.1 Ų95.183%0.8360%0.602SS**Hα-helixtrans-88.7-37.3167.5-168.9178.8-178.4-165.20.2112.1S48 K53 S54S48-R50 PolarHBondContact O-N 3.4Å; R50-K53 PolarHBondContact O-N 3.47Å; R50-S54 PolarHBondContact O-N 2.84Å
51H61.2Low64.9Low139 Ų13991.3 Ų91.364%0.64458%0.582SS**Hα-helixtrans-69.8-42.1-178-172.989.1000111.6S48 K53 S54S48-H51 PolarHBondContact O-N 3.14Å; S48-H51 VanDerWaalsContact O-N 3.11Å; H51-K53 PolarHBondContact O-N 3.14Å; H51-S54 WeakPolarHBondContact O-CB 3.46Å; H51-S54 PolarHBondContact O-N 2.72Å
52E64.3Low67Low113 Ų11382.3 Ų82.353%0.52854%0.535SS..THydrogen-bonded Turntrans-54.9-20.5174.2-63.9165.117500114.3S49S49-E52 WeakPolarHBondContact CA-OE2 3.21Å; S49-E52 PolarHBondContact OG-OE2 3.2Å
53K71.4Confident69.3Low141 Ų14180.2 Ų80.261%0.61351%0.506SS*.THydrogen-bonded Turntrans-112.711.5-177.7-55.6-176.5-170.7102.30112.5S49 R50 H51S49-K53 PolarHBondContact O-NZ 3.2Å; S49-K53 PolarHBondContact OG-NZ 2.6Å; R50-K53 PolarHBondContact O-N 3.47Å; H51-K53 PolarHBondContact O-N 3.14Å
54S82.3Confident71.7Confident52 Ų5278.6 Ų78.636%0.36448%0.483SS..  trans-65.7140179.1-177.20000111.4R50 H51 G56 L57 L58R50-S54 PolarHBondContact O-N 2.84Å; H51-S54 WeakPolarHBondContact O-CB 3.46Å; H51-S54 PolarHBondContact O-N 2.72Å; S54-G56 PolarHBondContact O-N 3.06Å; S54-G56 PolarHBondContact OG-N 3.41Å; S54-L57 PolarHBondContact O-N 3.28Å; S54-L58 PolarHBondContact O-N 2.96Å
55L85.7Confident73.6Confident71 Ų7174.7 Ų74.737%0.37245%0.445SS..Hα-helixtrans-57.3-38.9173.9-174.365.7000111.1L57 L58 T59 D93 I94L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 2.85Å; L55-L58 CarbonylContact O-C 3.56Å; L55-L58 WeakPolarHBondContact O-CA 2.93Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.77Å; L55-L58 VanDerWaalsContact O-N 3.11Å; L55-T59 PolarHBondContact O-N 2.83Å; L55-T59 PolarHBondContact O-OG1 2.94Å; L55-D93 HydrophobicContact CD1-CB 3.99Å; L55-D93 HydrophobicContact CD2-CB 4.02Å; L55-I94 HydrophobicContact CD1-CD1 4.28Å; L55-I94 HydrophobicContact CD1-CG1 3.89Å
56G87.1Confident75.4Confident38 Ų3871 Ų7139%0.39241%0.407SS..Hα-helixtrans-60.4-39.6178.800000113.7S54 L58 T59 T60S54-G56 PolarHBondContact O-N 3.06Å; S54-G56 PolarHBondContact OG-N 3.41Å; G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 2.89Å; G56-T59 WeakPolarHBondContact O-CB 3.25Å; G56-T59 PolarHBondContact O-N 3.48Å; G56-T60 PolarHBondContact O-N 2.87Å; G56-T60 PolarHBondContact O-OG1 3.42Å; G56-T60 VanDerWaalsContact O-OG1 3.13Å
57L86.4Confident77.2Confident60 Ų6073.5 Ų73.531%0.31440%0.402SS..Hα-helixtrans-69.1-32.7176.7-176.762.6000111.8S54 L55 K61S54-L57 PolarHBondContact O-N 3.28Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 2.85Å; L57-K61 WeakPolarHBondContact O-CG 3.38Å; L57-K61 PolarHBondContact O-N 3.42Å
58L88.3Confident78.9Confident26 Ų2677.1 Ų77.114%0.13640%0.399CS..Hα-helixtrans-68.7-41.8170.3-63.3177.4000111.1S54 L55 G56 K61 F62 V85 R90 I94S54-L58 PolarHBondContact O-N 2.96Å; L55-L58 CarbonylContact O-C 3.56Å; L55-L58 WeakPolarHBondContact O-CA 2.93Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.77Å; L55-L58 VanDerWaalsContact O-N 3.11Å; G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 2.89Å; L58-K61 PolarHBondContact O-N 2.84Å; L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.19Å; L58-V85 HydrophobicContact CD1-CG2 4.21Å; L58-V85 HydrophobicContact CD2-CG2 3.84Å; L58-R90 HydrophobicContact CD1-CB 4.08Å; L58-R90 HydrophobicContact CD1-CG 4.28Å; L58-I94 HydrophobicContact CB-CD1 3.97Å
59T90.2Very high80.3Confident46 Ų4673.8 Ų73.828%0.28238%0.377SS..Hα-helixtrans-59.5-48.6175.5-52.60000111.4L55 G56 K61 F62 V63 I94L55-T59 PolarHBondContact O-N 2.83Å; L55-T59 PolarHBondContact O-OG1 2.94Å; G56-T59 WeakPolarHBondContact O-CB 3.25Å; G56-T59 PolarHBondContact O-N 3.48Å; T59-K61 PolarHBondContact O-N 3.49Å; T59-F62 PolarHBondContact O-N 3.08Å; T59-V63 HydrophobicContact CG2-CG2 4.34Å; T59-V63 WeakPolarHBondContact O-CB 3.42Å; T59-V63 WeakPolarHBondContact O-CG2 3.39Å; T59-V63 PolarHBondContact O-N 3.44Å; T59-I94 HydrophobicContact CG2-CG2 4.32Å
60T88Confident81.1Confident91 Ų9179.9 Ų79.956%0.55840%0.397SS*.Hα-helixtrans-56.3-50.7178.4-54.70000111.2G56 F62 V63 S64G56-T60 PolarHBondContact O-N 2.87Å; G56-T60 PolarHBondContact O-OG1 3.42Å; G56-T60 VanDerWaalsContact O-OG1 3.13Å; T60-F62 PolarHBondContact O-N 2.87Å; T60-V63 PolarHBondContact O-N 2.84Å; T60-S64 PolarHBondContact O-N 2.87Å; T60-S64 PolarHBondContact O-OG 2.88Å
61K86.8Confident81.7Confident113 Ų11374.5 Ų74.549%0.49139%0.385SS..Hα-helixtrans-67-35.7179.3-66.9-180176.1-172.30113L57 L58 T59 S64 L65 L83L57-K61 WeakPolarHBondContact O-CG 3.38Å; L57-K61 PolarHBondContact O-N 3.42Å; L58-K61 PolarHBondContact O-N 2.84Å; T59-K61 PolarHBondContact O-N 3.49Å; K61-S64 PolarHBondContact O-N 3.49Å; K61-L65 WeakPolarHBondContact O-CG 3.41Å; K61-L65 PolarHBondContact O-N 3.36Å; K61-L83 HydrophobicContact CB-CD2 3.26Å; K61-L83 HydrophobicContact CD-CD2 4.25Å; K61-L83 HydrophobicContact CG-CD2 4.4Å
62F88.9Confident82.5Confident0 Ų068 Ų680%036%0.355CS..Hα-helixtrans-64.8-40.8175.5-175.8-86.5000111.3L58 T59 T60 L65 L66 L74 L76 A79 L83 I91 I94 T95 L98 I112L58-F62 WeakPolarHBondContact O-CB 3.47Å; L58-F62 PolarHBondContact O-N 3.19Å; T59-F62 PolarHBondContact O-N 3.08Å; T60-F62 PolarHBondContact O-N 2.87Å; F62-L65 PolarHBondContact O-N 3.27Å; F62-L66 HydrophobicContact CE1-CD2 4.11Å; F62-L66 VanDerWaalsContact O-CB 3.32Å; F62-L66 WeakPolarHBondContact O-CB 3.39Å; F62-L66 PolarHBondContact O-N 3.35Å; F62-L74 HydrophobicContact CD2-CD2 4.47Å; F62-L74 HydrophobicContact CE1-CD2 4.37Å; F62-L74 HydrophobicContact CE2-CD2 4.07Å; F62-L74 HydrophobicContact CZ-CD2 4.03Å; F62-L76 HydrophobicContact CE2-CD2 4.14Å; F62-L76 HydrophobicContact CZ-CD2 4.02Å; F62-A79 HydrophobicContact CD2-CB 4.49Å; F62-A79 HydrophobicContact CE2-CB 4.35Å; F62-L83 HydrophobicContact CB-CD1 3.95Å; F62-L83 HydrophobicContact CD2-CD1 3.74Å; F62-L83 HydrophobicContact CG-CD1 4.35Å; F62-I91 HydrophobicContact CD2-CD1 4.19Å; F62-I91 HydrophobicContact CE2-CD1 4.3Å; F62-I91 HydrophobicContact CE2-CG2 4.01Å; F62-I94 HydrophobicContact CB-CD1 4.2Å; F62-I94 HydrophobicContact CB-CG2 4.44Å; F62-I94 HydrophobicContact CD1-CG2 3.6Å; F62-I94 HydrophobicContact CE1-CG2 3.93Å; F62-I94 HydrophobicContact CG-CD1 4.39Å; F62-I94 HydrophobicContact CG-CG2 4.01Å; F62-T95 HydrophobicContact CZ-CG2 3.86Å; F62-L98 HydrophobicContact CD1-CD1 4.3Å; F62-L98 HydrophobicContact CE1-CD1 4.07Å; F62-I112 HydrophobicContact CE1-CD1 3.88Å; F62-I112 HydrophobicContact CZ-CD1 3.61Å
63V87.8Confident83.5Confident32 Ų3264.7 Ų64.719%0.19434%0.343CS..Hα-helixtrans-67-40.21751710000111.3T59 T60 L66 Q67T59-V63 HydrophobicContact CG2-CG2 4.34Å; T59-V63 WeakPolarHBondContact O-CB 3.42Å; T59-V63 WeakPolarHBondContact O-CG2 3.39Å; T59-V63 PolarHBondContact O-N 3.44Å; T60-V63 PolarHBondContact O-N 2.84Å; V63-L66 PolarHBondContact O-N 3.05Å; V63-Q67 HydrophobicContact CG1-CG 4.4Å; V63-Q67 WeakPolarHBondContact O-CG 3.48Å; V63-Q67 PolarHBondContact O-N 3.44Å
64S86.4Confident84.3Confident47 Ų4758.7 Ų58.733%0.32932%0.317SS..Hα-helixtrans-58-49.1172-58.60000111.9T60 K61 L66 Q67 E68T60-S64 PolarHBondContact O-N 2.87Å; T60-S64 PolarHBondContact O-OG 2.88Å; K61-S64 PolarHBondContact O-N 3.49Å; S64-L66 PolarHBondContact O-N 3.11Å; S64-Q67 PolarHBondContact O-N 3.36Å; S64-Q67 VanDerWaalsContact O-N 3.12Å; S64-E68 WeakPolarHBondContact O-CB 3.44Å; S64-E68 WeakPolarHBondContact O-CG 3.31Å; S64-E68 PolarHBondContact O-N 3.24Å
65L87.6Confident84.6Confident35 Ų3559.5 Ų59.518%0.18332%0.318CS..Hα-helixtrans-62-31.3176.7-68.4173.4000113K61 F62 A69 L74 A79 T82 L83K61-L65 WeakPolarHBondContact O-CG 3.41Å; K61-L65 PolarHBondContact O-N 3.36Å; F62-L65 PolarHBondContact O-N 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.44Å; L65-A69 PolarHBondContact O-N 3.43Å; L65-A69 VanDerWaalsContact O-N 3.08Å; L65-L74 HydrophobicContact CB-CD1 4.21Å; L65-L74 HydrophobicContact CB-CD2 4.49Å; L65-A79 HydrophobicContact CD1-CB 4.49Å; L65-T82 HydrophobicContact CD1-CG2 3.94Å; L65-T82 HydrophobicContact CD2-CG2 4Å; L65-L83 HydrophobicContact CD1-CD1 4.32Å; L65-L83 HydrophobicContact CD1-CD2 3.9Å; L65-L83 HydrophobicContact CD1-CG 3.82Å
66L85.8Confident84.8Confident4 Ų457.5 Ų57.52%0.02131%0.307CS..Hα-helixtrans-77.4-23.9177.6-171.353.2000113F62 V63 S64 L74 I104 I112 W114F62-L66 HydrophobicContact CE1-CD2 4.11Å; F62-L66 VanDerWaalsContact O-CB 3.32Å; F62-L66 WeakPolarHBondContact O-CB 3.39Å; F62-L66 PolarHBondContact O-N 3.35Å; V63-L66 PolarHBondContact O-N 3.05Å; S64-L66 PolarHBondContact O-N 3.11Å; L66-L74 HydrophobicContact CB-CD2 4.06Å; L66-L74 HydrophobicContact CD1-CB 3.59Å; L66-L74 HydrophobicContact CD1-CD2 4.12Å; L66-L74 HydrophobicContact CD1-CG 4.49Å; L66-I104 HydrophobicContact CD2-CG2 3.82Å; L66-I112 HydrophobicContact CD1-CD1 4.2Å; L66-I112 HydrophobicContact CD1-CG1 4.43Å; L66-I112 HydrophobicContact CD2-CD1 4.15Å; L66-W114 HydrophobicContact CD1-CB 4.23Å; L66-W114 HydrophobicContact CD2-CD2 4.47Å; L66-W114 HydrophobicContact CD2-CE3 3.5Å; L66-W114 HydrophobicContact CD2-CZ3 4.03Å; L66-W114 HydrophobicContact CG-CB 4.31Å; L66-W114 HydrophobicContact CG-CD2 4.48Å; L66-W114 HydrophobicContact CG-CE3 3.94Å
67Q81.9Confident84.7Confident112 Ų11261 Ų6152%0.52331%0.311SS..Hα-helixtrans-86.6-31.2172.8-70.6172.1-6.400112.4V63 S64 A69V63-Q67 HydrophobicContact CG1-CG 4.4Å; V63-Q67 WeakPolarHBondContact O-CG 3.48Å; V63-Q67 PolarHBondContact O-N 3.44Å; S64-Q67 PolarHBondContact O-N 3.36Å; S64-Q67 VanDerWaalsContact O-N 3.12Å; Q67-A69 VanDerWaalsContact C-N 3.29Å
68E80.5Confident84.6Confident148 Ų14860.5 Ų60.569%0.69232%0.316SS*.Hα-helixtrans-76.9-16.4171.8-70.3170.4-166.600112.5S64 K70S64-E68 WeakPolarHBondContact O-CB 3.44Å; S64-E68 WeakPolarHBondContact O-CG 3.31Å; S64-E68 PolarHBondContact O-N 3.24Å; E68-K70 PolarHBondContact O-N 2.9Å
69A81.6Confident84.6Confident13 Ų1359.3 Ų59.311%0.10731%0.31CS..SBendtrans-67.4124.3177.600000112L65 Q67 G72 L74L65-A69 WeakPolarHBondContact O-CB 3.44Å; L65-A69 PolarHBondContact O-N 3.43Å; L65-A69 VanDerWaalsContact O-N 3.08Å; Q67-A69 VanDerWaalsContact C-N 3.29Å; A69-G72 PolarHBondContact O-N 3.44Å; A69-L74 HydrophobicContact CB-CB 4.43Å; A69-L74 HydrophobicContact CB-CD1 4.47Å
70K71.4Confident84.4Confident177 Ų17757.5 Ų57.577%0.7730%0.3SS*.G310 helixtrans-62.4142.5174-61.6-174.3-179-177.20110.6E68 G72 V73E68-K70 PolarHBondContact O-N 2.9Å; K70-G72 PolarHBondContact O-N 2.86Å; K70-V73 PolarHBondContact O-N 3.33Å; K70-V73 VanDerWaalsContact O-N 3.12Å
71D72.1Confident84.2Confident107 Ų10758.6 Ų58.657%0.57230%0.302SS*.G310 helixtrans56.417.9-177.5-45-48.7000114V73 G120D71-V73 HydrophobicContact CB-CG2 4.43Å; D71-V73 PolarHBondContact O-N 3.3Å; D71-G120 CarbonylContact C-O 3.57Å; D71-G120 VanDerWaalsContact CA-O 3.23Å; D71-G120 WeakPolarHBondContact CA-O 3.29Å; D71-G120 PolarHBondContact N-O 3.29Å
72G77.7Confident84Confident2 Ų258 Ų582%0.02131%0.308CS..G310 helixtrans67.513.3-174.800000114.9A69 K70 Q113 W114 G120A69-G72 PolarHBondContact O-N 3.44Å; K70-G72 PolarHBondContact O-N 2.86Å; G72-Q113 CarbonylContact O-C 3.42Å; G72-Q113 WeakPolarHBondContact O-CA 3.46Å; G72-W114 PolarHBondContact O-N 3.33Å; G72-G120 PolarHBondContact N-O 2.99Å
73V85.3Confident83.5Confident43 Ų4358.8 Ų58.826%0.26131%0.312SS..EExtended strand (participates in β ladder)trans-102.9114-172.7-1770000111.8K70 D71 K107 S111 I112 Q113K70-V73 PolarHBondContact O-N 3.33Å; K70-V73 VanDerWaalsContact O-N 3.12Å; D71-V73 HydrophobicContact CB-CG2 4.43Å; D71-V73 PolarHBondContact O-N 3.3Å; V73-K107 HydrophobicContact CG1-CD 4.08Å; V73-K107 HydrophobicContact CG2-CD 3.93Å; V73-S111 WeakPolarHBondContact CG1-OG 2.86Å; V73-I112 WeakPolarHBondContact CA-O 3.42Å; V73-Q113 HydrophobicContact CG2-CB 4.36Å; V73-Q113 HydrophobicContact CG2-CG 4.21Å
74L88.1Confident82.6Confident16 Ų1661 Ų618%0.08433%0.334CS..EExtended strand (participates in β ladder)trans-107.1130.8179.5-174.464.7000111.9F62 L65 L66 A69 A79 S111 I112F62-L74 HydrophobicContact CD2-CD2 4.47Å; F62-L74 HydrophobicContact CE1-CD2 4.37Å; F62-L74 HydrophobicContact CE2-CD2 4.07Å; F62-L74 HydrophobicContact CZ-CD2 4.03Å; L65-L74 HydrophobicContact CB-CD1 4.21Å; L65-L74 HydrophobicContact CB-CD2 4.49Å; L66-L74 HydrophobicContact CB-CD2 4.06Å; L66-L74 HydrophobicContact CD1-CB 3.59Å; L66-L74 HydrophobicContact CD1-CD2 4.12Å; L66-L74 HydrophobicContact CD1-CG 4.49Å; A69-L74 HydrophobicContact CB-CB 4.43Å; A69-L74 HydrophobicContact CB-CD1 4.47Å; L74-A79 HydrophobicContact CD1-CB 4.17Å; L74-A79 HydrophobicContact CD2-CB 3.95Å; L74-A79 HydrophobicContact CG-CB 4.08Å; L74-S111 WeakPolarHBondContact O-CA 3.39Å; L74-I112 HydrophobicContact CB-CG1 4.09Å; L74-I112 PolarHBondContact N-O 2.8Å; L74-I112 PolarHBondContact O-N 3.48Å; L74-I112 VanDerWaalsContact O-N 3.08Å
75D89.3Confident81.7Confident69 Ų6959.7 Ų59.737%0.36932%0.324SS..EExtended strand (participates in β ladder)trans-81.6118.7166-178.82.4000109.9K77 A78 A79 N110D75-K77 PolarHBondContact O-N 2.69Å; D75-K77 WeakPolarHBondContact OD1-CB 3.24Å; D75-K77 PolarHBondContact OD1-N 2.87Å; D75-A78 HydrophobicContact CB-CB 4.23Å; D75-A78 PolarHBondContact O-N 2.63Å; D75-A79 WeakPolarHBondContact O-CB 3.28Å; D75-A79 PolarHBondContact O-N 3.39Å; D75-N110 VanDerWaalsContact OD1-O 3.12Å
76L89Confident80.5Confident28 Ų2870 Ų7015%0.14736%0.361CS..Hα-helixtrans-63.5-21.6178.4-60.9176.9000113F62 A80 I91 T95 N110 I112F62-L76 HydrophobicContact CE2-CD2 4.14Å; F62-L76 HydrophobicContact CZ-CD2 4.02Å; L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.36Å; L76-A80 PolarHBondContact O-N 3.37Å; L76-A80 VanDerWaalsContact O-N 3.09Å; L76-I91 HydrophobicContact CD2-CG2 3.94Å; L76-T95 HydrophobicContact CD2-CG2 4Å; L76-N110 WeakPolarHBondContact CB-O 3.26Å; L76-N110 WeakPolarHBondContact CG-O 3.27Å; L76-N110 PolarHBondContact N-O 3.36Å; L76-I112 HydrophobicContact CD1-CG2 4.16Å; L76-I112 HydrophobicContact CD2-CD1 4.06Å; L76-I112 HydrophobicContact CD2-CG1 4.01Å; L76-I112 HydrophobicContact CD2-CG2 4.09Å; L76-I112 HydrophobicContact CG-CG2 4.34Å
77K85.9Confident79.7Confident111 Ų11175.3 Ų75.348%0.48339%0.385SS..Hα-helixtrans-72-59.3172.1-66176.2177.9176.40110.6D75 A79 A80 D81 N110D75-K77 PolarHBondContact O-N 2.69Å; D75-K77 WeakPolarHBondContact OD1-CB 3.24Å; D75-K77 PolarHBondContact OD1-N 2.87Å; K77-A79 PolarHBondContact O-N 3.45Å; K77-A80 PolarHBondContact O-N 3.38Å; K77-D81 PolarHBondContact O-N 3.33Å; K77-N110 WeakPolarHBondContact CE-OD1 3.41Å; K77-N110 HydrophobicContact CG-CB 4.4Å
78A85.2Confident79.3Confident51 Ų5176.3 Ų76.342%0.42139%0.388SS..Hα-helixtrans-54.9-41.1177.700000111.6D75 D81 T82D75-A78 HydrophobicContact CB-CB 4.23Å; D75-A78 PolarHBondContact O-N 2.63Å; A78-D81 PolarHBondContact O-N 3.33Å; A78-T82 WeakPolarHBondContact O-CB 3.38Å; A78-T82 PolarHBondContact O-N 3.21Å; A78-T82 PolarHBondContact O-OG1 2.78Å
79A86.8Confident79.6Confident1 Ų175.1 Ų75.11%0.00838%0.377CS..Hα-helixtrans-62.8-45.5173.500000112.8F62 L65 L74 D75 K77 D81 L83F62-A79 HydrophobicContact CD2-CB 4.49Å; F62-A79 HydrophobicContact CE2-CB 4.35Å; L65-A79 HydrophobicContact CD1-CB 4.49Å; L74-A79 HydrophobicContact CD1-CB 4.17Å; L74-A79 HydrophobicContact CD2-CB 3.95Å; L74-A79 HydrophobicContact CG-CB 4.08Å; D75-A79 WeakPolarHBondContact O-CB 3.28Å; D75-A79 PolarHBondContact O-N 3.39Å; K77-A79 PolarHBondContact O-N 3.45Å; A79-D81 VanDerWaalsContact C-N 3.3Å; A79-D81 PolarHBondContact O-N 3.18Å; A79-L83 WeakPolarHBondContact O-CB 3.16Å; A79-L83 WeakPolarHBondContact O-CD1 3.39Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.39Å
80A85.6Confident79.8Confident7 Ų778.1 Ų78.16%0.05839%0.385CS..Hα-helixtrans-62.8-36.617900000113L76 K77 A84 V85 I91L76-A80 VanDerWaalsContact O-CB 3.23Å; L76-A80 WeakPolarHBondContact O-CB 3.36Å; L76-A80 PolarHBondContact O-N 3.37Å; L76-A80 VanDerWaalsContact O-N 3.09Å; K77-A80 PolarHBondContact O-N 3.38Å; A80-A84 PolarHBondContact O-N 3.12Å; A80-V85 PolarHBondContact O-N 3.48Å; A80-V85 VanDerWaalsContact O-N 3.13Å; A80-I91 HydrophobicContact CB-CD1 4.46Å; A80-I91 HydrophobicContact CB-CG1 4.19Å
81D84.3Confident80.6Confident115 Ų11570 Ų7062%0.61535%0.35SS*.Hα-helixtrans-73.2-49.1179-62-30.4000110.8K77 A78 A79 L83 A84K77-D81 PolarHBondContact O-N 3.33Å; A78-D81 PolarHBondContact O-N 3.33Å; A79-D81 VanDerWaalsContact C-N 3.3Å; A79-D81 PolarHBondContact O-N 3.18Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 2.94Å; D81-A84 PolarHBondContact O-N 2.97Å
82T82.3Confident81.5Confident100 Ų10070.8 Ų70.861%0.61335%0.346SS*.Hα-helixtrans-62.2-34.9176.4-61.20000113.1L65 A78 A84L65-T82 HydrophobicContact CD1-CG2 3.94Å; L65-T82 HydrophobicContact CD2-CG2 4Å; A78-T82 WeakPolarHBondContact O-CB 3.38Å; A78-T82 PolarHBondContact O-N 3.21Å; A78-T82 PolarHBondContact O-OG1 2.78Å; T82-A84 PolarHBondContact O-N 2.93Å
83L78.6Confident82.1Confident16 Ų1672.3 Ų72.38%0.08435%0.354CS..THydrogen-bonded Turntrans-78.2-0.8175.9-64.6169.8000113.3K61 F62 L65 A79 D81 V85 I91K61-L83 HydrophobicContact CB-CD2 3.26Å; K61-L83 HydrophobicContact CD-CD2 4.25Å; K61-L83 HydrophobicContact CG-CD2 4.4Å; F62-L83 HydrophobicContact CB-CD1 3.95Å; F62-L83 HydrophobicContact CD2-CD1 3.74Å; F62-L83 HydrophobicContact CG-CD1 4.35Å; L65-L83 HydrophobicContact CD1-CD1 4.32Å; L65-L83 HydrophobicContact CD1-CD2 3.9Å; L65-L83 HydrophobicContact CD1-CG 3.82Å; A79-L83 WeakPolarHBondContact O-CB 3.16Å; A79-L83 WeakPolarHBondContact O-CD1 3.39Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.39Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 2.94Å; L83-V85 HydrophobicContact CB-CG2 3.55Å; L83-V85 PolarHBondContact O-N 3.46Å; L83-I91 HydrophobicContact CD1-CD1 4Å
84A70.3Confident82.4Confident80 Ų8070.5 Ų70.566%0.66134%0.343SS*.THydrogen-bonded Turntrans52.233.6-177.400000113.9A80 D81 T82 R86A80-A84 PolarHBondContact O-N 3.12Å; D81-A84 PolarHBondContact O-N 2.97Å; T82-A84 PolarHBondContact O-N 2.93Å; A84-R86 PolarHBondContact O-N 3.43Å
85V66.5Low82.5Confident19 Ų1970.1 Ų70.112%0.11534%0.341CS..  trans-77.593.4-168.9172.70000110.6L58 A80 L83 Q87 R90 I91L58-V85 HydrophobicContact CD1-CG2 4.21Å; L58-V85 HydrophobicContact CD2-CG2 3.84Å; A80-V85 PolarHBondContact O-N 3.48Å; A80-V85 VanDerWaalsContact O-N 3.13Å; L83-V85 HydrophobicContact CB-CG2 3.55Å; L83-V85 PolarHBondContact O-N 3.46Å; V85-Q87 WeakPolarHBondContact CG1-O 3.24Å; V85-Q87 PolarHBondContact O-N 3.48Å; V85-R90 HydrophobicContact CG1-CB 4.02Å; V85-R90 HydrophobicContact CG1-CG 4.44Å; V85-I91 HydrophobicContact CG2-CD1 4.35Å
86R63.3Low82.7Confident252 Ų25271.4 Ų71.495%0.95135%0.348SS*.SBendtrans-56.6-9.4174-66.9-170.3-180-1680.2114.8A84A84-R86 PolarHBondContact O-N 3.43Å
87Q67.6Low82.9Confident114 Ų11474.2 Ų74.253%0.53337%0.366SS..  trans-13592.3-180-67.9-179.2-4.500110.7V85 R89 R90V85-Q87 WeakPolarHBondContact CG1-O 3.24Å; V85-Q87 PolarHBondContact O-N 3.48Å; Q87-R89 PolarHBondContact O-N 2.87Å; Q87-R90 HydrophobicContact CB-CG 4.17Å; Q87-R90 WeakPolarHBondContact O-CG 3.31Å; Q87-R90 PolarHBondContact O-N 3.27Å
88K74.8Confident83.1Confident133 Ų13369.7 Ų69.758%0.57835%0.347SS*.THydrogen-bonded Turntrans-51-25-178.1-67.2-170174.3-171.60114.4R90 I91K88-R90 PolarHBondContact O-N 3.05Å; K88-R90 VanDerWaalsContact O-N 3.16Å; K88-I91 PolarHBondContact O-N 3.12Å
89R85.4Confident83.4Confident123 Ų12371.5 Ų71.546%0.46435%0.347SS..Hα-helixtrans-51.7-32171.6-177.861.6-169.876.29.7114.1Q87 I91 Y92 D93Q87-R89 PolarHBondContact O-N 2.87Å; R89-I91 VanDerWaalsContact C-N 3.34Å; R89-I91 PolarHBondContact O-N 3.17Å; R89-Y92 PolarHBondContact O-N 3.26Å; R89-D93 IonicContact CZ-OD1 2.95Å; R89-D93 IonicContact CZ-OD2 2.68Å; R89-D93 IonicContact NH1-OD1 3.94Å; R89-D93 PolarHBondContact NH1-OD1 3.37Å; R89-D93 IonicContact NH1-OD2 2.81Å; R89-D93 PolarHBondContact NH1-OD2 3.28Å; R89-D93 IonicContact NH2-OD1 2.65Å; R89-D93 PolarHBondContact NH2-OD1 2.88Å; R89-D93 PolarHBondContact O-N 3.15Å
90R86.6Confident83.6Confident76 Ų7674.7 Ų74.729%0.28738%0.38SS..Hα-helixtrans-67.5-30.2-178.6-60.5-70.477.6101.3-11113.4L58 V85 Q87 K88 Y92 D93 I94L58-R90 HydrophobicContact CD1-CB 4.08Å; L58-R90 HydrophobicContact CD1-CG 4.28Å; V85-R90 HydrophobicContact CG1-CB 4.02Å; V85-R90 HydrophobicContact CG1-CG 4.44Å; Q87-R90 HydrophobicContact CB-CG 4.17Å; Q87-R90 WeakPolarHBondContact O-CG 3.31Å; Q87-R90 PolarHBondContact O-N 3.27Å; K88-R90 PolarHBondContact O-N 3.05Å; K88-R90 VanDerWaalsContact O-N 3.16Å; R90-Y92 VanDerWaalsContact C-N 3.3Å; R90-Y92 PolarHBondContact O-N 3.02Å; R90-D93 IonicContact CZ-OD2 3.32Å; R90-D93 IonicContact NE-OD2 2.77Å; R90-D93 PolarHBondContact NE-OD2 3.31Å; R90-D93 IonicContact NH2-OD2 3.11Å; R90-D93 PolarHBondContact NH2-OD2 2.96Å; R90-D93 PolarHBondContact O-N 2.84Å; R90-I94 PolarHBondContact O-N 2.88Å
91I88.4Confident83.8Confident7 Ų779.5 Ų79.54%0.03640%0.403CS..Hα-helixtrans-62.3-42.9174.1-58.6-59.8000109.8F62 L76 A80 L83 V85 K88 R89 D93 I94 T95F62-I91 HydrophobicContact CD2-CD1 4.19Å; F62-I91 HydrophobicContact CE2-CD1 4.3Å; F62-I91 HydrophobicContact CE2-CG2 4.01Å; L76-I91 HydrophobicContact CD2-CG2 3.94Å; A80-I91 HydrophobicContact CB-CD1 4.46Å; A80-I91 HydrophobicContact CB-CG1 4.19Å; L83-I91 HydrophobicContact CD1-CD1 4Å; V85-I91 HydrophobicContact CG2-CD1 4.35Å; K88-I91 PolarHBondContact O-N 3.12Å; R89-I91 VanDerWaalsContact C-N 3.34Å; R89-I91 PolarHBondContact O-N 3.17Å; I91-D93 VanDerWaalsContact C-N 3.31Å; I91-D93 PolarHBondContact O-N 3.15Å; I91-I94 PolarHBondContact O-N 3.37Å; I91-T95 HydrophobicContact CG2-CG2 4.17Å; I91-T95 PolarHBondContact O-N 2.64Å; I91-T95 PolarHBondContact O-OG1 3.36Å
92Y90.1Very high83.9Confident124 Ų12478.5 Ų78.549%0.48640%0.398SS..Hα-helixtrans-67.5-26.2176.6-49.6-49.9000113.8R89 R90 I94 T95 N96R89-Y92 PolarHBondContact O-N 3.26Å; R90-Y92 VanDerWaalsContact C-N 3.3Å; R90-Y92 PolarHBondContact O-N 3.02Å; Y92-I94 VanDerWaalsContact C-N 3.27Å; Y92-I94 PolarHBondContact O-N 3.2Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.37Å; Y92-N96 WeakPolarHBondContact O-CB 3.44Å; Y92-N96 PolarHBondContact O-N 3.03Å; Y92-N96 VanDerWaalsContact O-N 3.1Å; Y92-N96 PolarHBondContact O-OD1 3.32Å
93D90.8Very high84.1Confident33 Ų3376.6 Ų76.618%0.17638%0.384CS..Hα-helixtrans-67.4-30.7171-66.5-48.1000112L55 R89 R90 I91 V97L55-D93 HydrophobicContact CD1-CB 3.99Å; L55-D93 HydrophobicContact CD2-CB 4.02Å; R89-D93 IonicContact CZ-OD1 2.95Å; R89-D93 IonicContact CZ-OD2 2.68Å; R89-D93 IonicContact NH1-OD1 3.94Å; R89-D93 PolarHBondContact NH1-OD1 3.37Å; R89-D93 IonicContact NH1-OD2 2.81Å; R89-D93 PolarHBondContact NH1-OD2 3.28Å; R89-D93 IonicContact NH2-OD1 2.65Å; R89-D93 PolarHBondContact NH2-OD1 2.88Å; R89-D93 PolarHBondContact O-N 3.15Å; R90-D93 IonicContact CZ-OD2 3.32Å; R90-D93 IonicContact NE-OD2 2.77Å; R90-D93 PolarHBondContact NE-OD2 3.31Å; R90-D93 IonicContact NH2-OD2 3.11Å; R90-D93 PolarHBondContact NH2-OD2 2.96Å; R90-D93 PolarHBondContact O-N 2.84Å; I91-D93 VanDerWaalsContact C-N 3.31Å; I91-D93 PolarHBondContact O-N 3.15Å; D93-V97 WeakPolarHBondContact O-CG2 3.46Å
94I91.1Very high84.6Confident5 Ų575.9 Ų75.93%0.02638%0.38CS..Hα-helixtrans-81.8-49.8178-59.7167.1000110.2L55 L58 T59 F62 R90 I91 Y92 N96 V97 L98L55-I94 HydrophobicContact CD1-CD1 4.28Å; L55-I94 HydrophobicContact CD1-CG1 3.89Å; L58-I94 HydrophobicContact CB-CD1 3.97Å; T59-I94 HydrophobicContact CG2-CG2 4.32Å; F62-I94 HydrophobicContact CB-CD1 4.2Å; F62-I94 HydrophobicContact CB-CG2 4.44Å; F62-I94 HydrophobicContact CD1-CG2 3.6Å; F62-I94 HydrophobicContact CE1-CG2 3.93Å; F62-I94 HydrophobicContact CG-CD1 4.39Å; F62-I94 HydrophobicContact CG-CG2 4.01Å; R90-I94 PolarHBondContact O-N 2.88Å; I91-I94 PolarHBondContact O-N 3.37Å; Y92-I94 VanDerWaalsContact C-N 3.27Å; Y92-I94 PolarHBondContact O-N 3.2Å; I94-N96 PolarHBondContact O-N 3.33Å; I94-V97 PolarHBondContact O-N 3.38Å; I94-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CG 4.46Å; I94-L98 WeakPolarHBondContact O-CG 3.49Å; I94-L98 PolarHBondContact O-N 3.03Å; I94-L98 VanDerWaalsContact O-N 3.07Å
95T91.8Very high85.5Confident9 Ų976 Ų766%0.05537%0.367CS..Hα-helixtrans-64-43.5-177.258.80000111.9F62 L76 I91 Y92 V97 L98 E99 I104 I112F62-T95 HydrophobicContact CZ-CG2 3.86Å; L76-T95 HydrophobicContact CD2-CG2 4Å; I91-T95 HydrophobicContact CG2-CG2 4.17Å; I91-T95 PolarHBondContact O-N 2.64Å; I91-T95 PolarHBondContact O-OG1 3.36Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.37Å; T95-V97 PolarHBondContact O-N 2.97Å; T95-L98 PolarHBondContact O-N 2.82Å; T95-E99 WeakPolarHBondContact O-CB 3.39Å; T95-E99 PolarHBondContact O-N 3.33Å; T95-I104 HydrophobicContact CG2-CD1 4.11Å; T95-I112 HydrophobicContact CG2-CD1 4.35Å
96N93.1Very high86.7Confident95 Ų9582 Ų8251%0.50839%0.392SS..Hα-helixtrans-64.2-27.8-178.3-66.121.8000112.5Y92 I94 G100Y92-N96 WeakPolarHBondContact O-CB 3.44Å; Y92-N96 PolarHBondContact O-N 3.03Å; Y92-N96 VanDerWaalsContact O-N 3.1Å; Y92-N96 PolarHBondContact O-OD1 3.32Å; I94-N96 PolarHBondContact O-N 3.33Å; N96-G100 PolarHBondContact O-N 2.89Å
97V93.1Very high87.8Confident87 Ų8775.6 Ų75.653%0.52737%0.37SS..Hα-helixtrans-77.9-43.3174.9172.90000110.9D93 I94 T95 G100 I101D93-V97 WeakPolarHBondContact O-CG2 3.46Å; I94-V97 PolarHBondContact O-N 3.38Å; T95-V97 PolarHBondContact O-N 2.97Å; V97-G100 PolarHBondContact O-N 2.66Å; V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 WeakPolarHBondContact O-CD1 3.48Å; V97-I101 VanDerWaalsContact O-CG1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.04Å; V97-I101 VanDerWaalsContact O-N 3.13Å
98L90.2Very high88.8Confident17 Ų1773 Ų739%0.08937%0.365CS..Hα-helixtrans-68.2-36.4177.3-66.3175.3000112.5F62 I94 T95 I101 D102 L103 I104F62-L98 HydrophobicContact CD1-CD1 4.3Å; F62-L98 HydrophobicContact CE1-CD1 4.07Å; I94-L98 HydrophobicContact CG2-CD1 3.9Å; I94-L98 HydrophobicContact CG2-CG 4.46Å; I94-L98 WeakPolarHBondContact O-CG 3.49Å; I94-L98 PolarHBondContact O-N 3.03Å; I94-L98 VanDerWaalsContact O-N 3.07Å; T95-L98 PolarHBondContact O-N 2.82Å; L98-I101 CarbonylContact O-C 3.58Å; L98-I101 PolarHBondContact O-N 3.43Å; L98-D102 PolarHBondContact O-N 3.08Å; L98-L103 HydrophobicContact CD2-CB 4.48Å; L98-L103 HydrophobicContact CD2-CD1 4.05Å; L98-L103 PolarHBondContact O-N 3.46Å; L98-I104 HydrophobicContact CB-CD1 3.76Å; L98-I104 HydrophobicContact CB-CG1 3.72Å; L98-I104 HydrophobicContact CB-CG2 4.14Å; L98-I104 HydrophobicContact CD1-CG2 4.36Å
99E91.4Very high89.3Confident89 Ų8975.6 Ų75.642%0.41638%0.376SS..Hα-helixtrans-69.6-39.3173.9-173.2172.8-15900110.4T95 I101 D102 I104T95-E99 WeakPolarHBondContact O-CB 3.39Å; T95-E99 PolarHBondContact O-N 3.33Å; E99-I101 PolarHBondContact O-N 3Å; E99-D102 PolarHBondContact O-N 2.9Å; E99-I104 HydrophobicContact CB-CD1 4.5Å; E99-I104 HydrophobicContact CB-CG1 4.11Å
100G90.1Very high89.4Confident67 Ų6772.7 Ų72.769%0.69137%0.37SS*.Hα-helixtrans-69.5-11.2173.200000115.5N96 V97N96-G100 PolarHBondContact O-N 2.89Å; V97-G100 PolarHBondContact O-N 2.66Å
101I89.3Confident89.5Confident108 Ų10870 Ų7055%0.55436%0.362SS*.THydrogen-bonded Turntrans-108.25171.8-55.8162000110V97 L98 E99 L103V97-I101 HydrophobicContact CG1-CD1 3.83Å; V97-I101 WeakPolarHBondContact O-CD1 3.48Å; V97-I101 VanDerWaalsContact O-CG1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.04Å; V97-I101 VanDerWaalsContact O-N 3.13Å; L98-I101 CarbonylContact O-C 3.58Å; L98-I101 PolarHBondContact O-N 3.43Å; E99-I101 PolarHBondContact O-N 3Å; I101-L103 HydrophobicContact CB-CD1 4.43Å; I101-L103 HydrophobicContact CB-CG 4.32Å; I101-L103 HydrophobicContact CG2-CD1 4.03Å; I101-L103 HydrophobicContact CG2-CG 3.98Å; I101-L103 PolarHBondContact O-N 3.27Å
102D87.8Confident89.5Confident94 Ų9470 Ų7050%0.50336%0.362SS..THydrogen-bonded Turntrans53.426.6-176.1-150.944.9000115.8L98 E99 I104 K115L98-D102 PolarHBondContact O-N 3.08Å; E99-D102 PolarHBondContact O-N 2.9Å; D102-I104 VanDerWaalsContact C-N 3.34Å; D102-K115 WeakPolarHBondContact O-CB 3.31Å; D102-K115 WeakPolarHBondContact O-CD 3.19Å; D102-K115 IonicContact OD1-NZ 2.7Å; D102-K115 PolarHBondContact OD1-NZ 3.41Å; D102-K115 IonicContact OD2-NZ 2.68Å; D102-K115 PolarHBondContact OD2-NZ 3.33Å
103L86.8Confident89.4Confident60 Ų6066.2 Ų66.231%0.31435%0.349SS..SBendtrans-80.6-16.6175-64.5176.7000113L98 I101 W114 K115L98-L103 HydrophobicContact CD2-CB 4.48Å; L98-L103 HydrophobicContact CD2-CD1 4.05Å; L98-L103 PolarHBondContact O-N 3.46Å; I101-L103 HydrophobicContact CB-CD1 4.43Å; I101-L103 HydrophobicContact CB-CG 4.32Å; I101-L103 HydrophobicContact CG2-CD1 4.03Å; I101-L103 HydrophobicContact CG2-CG 3.98Å; I101-L103 PolarHBondContact O-N 3.27Å; L103-W114 HydrophobicContact CB-CH2 4.3Å; L103-W114 HydrophobicContact CB-CZ3 4.12Å; L103-W114 HydrophobicContact CD1-CH2 4.48Å; L103-K115 PolarHBondContact O-N 3.37Å
104I87.9Confident89.3Confident2 Ų266.6 Ų66.61%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-137.3157.8174.766.5171.9000110.9L66 T95 L98 E99 D102 I112 Q113 W114L66-I104 HydrophobicContact CD2-CG2 3.82Å; T95-I104 HydrophobicContact CG2-CD1 4.11Å; L98-I104 HydrophobicContact CB-CD1 3.76Å; L98-I104 HydrophobicContact CB-CG1 3.72Å; L98-I104 HydrophobicContact CB-CG2 4.14Å; L98-I104 HydrophobicContact CD1-CG2 4.36Å; E99-I104 HydrophobicContact CB-CD1 4.5Å; E99-I104 HydrophobicContact CB-CG1 4.11Å; D102-I104 VanDerWaalsContact C-N 3.34Å; I104-I112 HydrophobicContact CD1-CB 4.42Å; I104-I112 HydrophobicContact CD1-CD1 3.77Å; I104-I112 HydrophobicContact CD1-CG2 4.29Å; I104-I112 HydrophobicContact CG2-CD1 4.36Å; I104-Q113 CarbonylContact C-O 3.39Å; I104-Q113 VanDerWaalsContact CA-O 3.23Å; I104-Q113 WeakPolarHBondContact CA-O 3.28Å; I104-Q113 WeakPolarHBondContact CB-O 3.38Å; I104-W114 HydrophobicContact CG2-CE3 3.75Å; I104-W114 HydrophobicContact CG2-CZ3 4.29Å
105E89.8Confident88.7Confident83 Ų8370.5 Ų70.539%0.38837%0.365SS..EExtended strand (participates in β ladder)trans-129.4162.1167.460.5173.5-147.800112.4K107 I112 Q113 K115E105-K107 PolarHBondContact O-N 3.18Å; E105-I112 CarbonylContact O-C 3.57Å; E105-I112 VanDerWaalsContact O-CA 3.23Å; E105-I112 WeakPolarHBondContact O-CA 3.2Å; E105-I112 WeakPolarHBondContact O-CB 3.28Å; E105-Q113 HydrophobicContact CG-CB 4.19Å; E105-Q113 PolarHBondContact N-O 3.25Å; E105-Q113 PolarHBondContact O-N 3.04Å; E105-K115 HydrophobicContact CB-CD 4.23Å; E105-K115 HydrophobicContact CB-CG 4.35Å; E105-K115 HydrophobicContact CG-CD 4.47Å; E105-K115 HydrophobicContact CG-CG 4.09Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å
106K90.7Very high87.5Confident145 Ų14570.9 Ų70.963%0.6337%0.371SS*.EExtended strand (participates in β ladder)trans-9486.5-174.8-175.2-176.7175-177.60111.8S108K106-S108 VanDerWaalsContact C-N 3.35Å; K106-S108 PolarHBondContact O-N 2.95Å
107K86.3Confident85.9Confident116 Ų11672.9 Ų72.950%0.50439%0.386SS..EExtended strand (participates in β ladder)trans-62.6-34.5178.1-164.6168.7-164.4156.30113.8V73 E105 S111 Q113V73-K107 HydrophobicContact CG1-CD 4.08Å; V73-K107 HydrophobicContact CG2-CD 3.93Å; E105-K107 PolarHBondContact O-N 3.18Å; K107-S111 PolarHBondContact N-O 3.48Å; K107-S111 VanDerWaalsContact N-O 3.07Å; K107-Q113 HydrophobicContact CB-CB 4.34Å; K107-Q113 HydrophobicContact CD-CB 4.27Å
108S90.1Very high84.1Confident59 Ų5970 Ų7041%0.41337%0.373SS..EExtended strand (participates in β ladder)trans-159.1-178.8173.192.10000113.2K106 N110 S111K106-S108 VanDerWaalsContact C-N 3.35Å; K106-S108 PolarHBondContact O-N 2.95Å; S108-N110 PolarHBondContact O-N 3.45Å; S108-N110 VanDerWaalsContact O-N 3.08Å; S108-N110 PolarHBondContact OG-N 2.92Å; S108-S111 PolarHBondContact N-O 2.97Å; S108-S111 PolarHBondContact O-N 3.43Å; S108-S111 VanDerWaalsContact O-O 3.1Å; S108-S111 VanDerWaalsContact OG-CB 3.3Å; S108-S111 WeakPolarHBondContact OG-CB 3.43Å; S108-S111 PolarHBondContact OG-N 3.35Å
109K84.9Confident82.2Confident188 Ų18873.6 Ų73.682%0.81741%0.406SS*.THydrogen-bonded Turntrans-57.1-23.4179.6-172.6172.1-179.4176.50114.5
110N87.6Confident80.5Confident62 Ų6271.2 Ų71.233%0.33241%0.406SS..THydrogen-bonded Turntrans-1287.9175.4-47.7-86.7000112.6D75 L76 K77 S108D75-N110 VanDerWaalsContact OD1-O 3.12Å; L76-N110 WeakPolarHBondContact CB-O 3.26Å; L76-N110 WeakPolarHBondContact CG-O 3.27Å; L76-N110 PolarHBondContact N-O 3.36Å; K77-N110 WeakPolarHBondContact CE-OD1 3.41Å; K77-N110 HydrophobicContact CG-CB 4.4Å; S108-N110 PolarHBondContact O-N 3.45Å; S108-N110 VanDerWaalsContact O-N 3.08Å; S108-N110 PolarHBondContact OG-N 2.92Å
111S88.1Confident78.8Confident19 Ų1969.2 Ų69.213%0.13338%0.381CS..EExtended strand (participates in β ladder)trans-127.6131.7-173-179.90000110.6V73 L74 K107 S108V73-S111 WeakPolarHBondContact CG1-OG 2.86Å; L74-S111 WeakPolarHBondContact O-CA 3.39Å; K107-S111 PolarHBondContact N-O 3.48Å; K107-S111 VanDerWaalsContact N-O 3.07Å; S108-S111 PolarHBondContact N-O 2.97Å; S108-S111 PolarHBondContact O-N 3.43Å; S108-S111 VanDerWaalsContact O-O 3.1Å; S108-S111 VanDerWaalsContact OG-CB 3.3Å; S108-S111 WeakPolarHBondContact OG-CB 3.43Å; S108-S111 PolarHBondContact OG-N 3.35Å
112I89.4Confident77.4Confident7 Ų767.1 Ų67.14%0.03637%0.37CS..EExtended strand (participates in β ladder)trans-112.3155168.260.5167.5000109.5F62 L66 V73 L74 L76 T95 I104 E105F62-I112 HydrophobicContact CE1-CD1 3.88Å; F62-I112 HydrophobicContact CZ-CD1 3.61Å; L66-I112 HydrophobicContact CD1-CD1 4.2Å; L66-I112 HydrophobicContact CD1-CG1 4.43Å; L66-I112 HydrophobicContact CD2-CD1 4.15Å; V73-I112 WeakPolarHBondContact CA-O 3.42Å; L74-I112 HydrophobicContact CB-CG1 4.09Å; L74-I112 PolarHBondContact N-O 2.8Å; L74-I112 PolarHBondContact O-N 3.48Å; L74-I112 VanDerWaalsContact O-N 3.08Å; L76-I112 HydrophobicContact CD1-CG2 4.16Å; L76-I112 HydrophobicContact CD2-CD1 4.06Å; L76-I112 HydrophobicContact CD2-CG1 4.01Å; L76-I112 HydrophobicContact CD2-CG2 4.09Å; L76-I112 HydrophobicContact CG-CG2 4.34Å; T95-I112 HydrophobicContact CG2-CD1 4.35Å; I104-I112 HydrophobicContact CD1-CB 4.42Å; I104-I112 HydrophobicContact CD1-CD1 3.77Å; I104-I112 HydrophobicContact CD1-CG2 4.29Å; I104-I112 HydrophobicContact CG2-CD1 4.36Å; E105-I112 CarbonylContact O-C 3.57Å; E105-I112 VanDerWaalsContact O-CA 3.23Å; E105-I112 WeakPolarHBondContact O-CA 3.2Å; E105-I112 WeakPolarHBondContact O-CB 3.28Å
113Q88.1Confident76.3Confident46 Ų4665.6 Ų65.622%0.21537%0.365CS..EExtended strand (participates in β ladder)trans-120.6137.5170-179.6166.7-23.600109.3G72 V73 I104 E105 K107G72-Q113 CarbonylContact O-C 3.42Å; G72-Q113 WeakPolarHBondContact O-CA 3.46Å; V73-Q113 HydrophobicContact CG2-CB 4.36Å; V73-Q113 HydrophobicContact CG2-CG 4.21Å; I104-Q113 CarbonylContact C-O 3.39Å; I104-Q113 VanDerWaalsContact CA-O 3.23Å; I104-Q113 WeakPolarHBondContact CA-O 3.28Å; I104-Q113 WeakPolarHBondContact CB-O 3.38Å; E105-Q113 HydrophobicContact CG-CB 4.19Å; E105-Q113 PolarHBondContact N-O 3.25Å; E105-Q113 PolarHBondContact O-N 3.04Å; K107-Q113 HydrophobicContact CB-CB 4.34Å; K107-Q113 HydrophobicContact CD-CB 4.27Å
114W88Confident75.6Confident40 Ų4070.4 Ų70.415%0.15238%0.383CS..EExtended strand (participates in β ladder)trans-69.8135170.7-175.3-104.5000110.2L66 G72 L103 I104 G116 C121L66-W114 HydrophobicContact CD1-CB 4.23Å; L66-W114 HydrophobicContact CD2-CD2 4.47Å; L66-W114 HydrophobicContact CD2-CE3 3.5Å; L66-W114 HydrophobicContact CD2-CZ3 4.03Å; L66-W114 HydrophobicContact CG-CB 4.31Å; L66-W114 HydrophobicContact CG-CD2 4.48Å; L66-W114 HydrophobicContact CG-CE3 3.94Å; G72-W114 PolarHBondContact O-N 3.33Å; L103-W114 HydrophobicContact CB-CH2 4.3Å; L103-W114 HydrophobicContact CB-CZ3 4.12Å; L103-W114 HydrophobicContact CD1-CH2 4.48Å; I104-W114 HydrophobicContact CG2-CE3 3.75Å; I104-W114 HydrophobicContact CG2-CZ3 4.29Å; W114-G116 PolarHBondContact NE1-O 2.96Å; W114-C121 PolarHBondContact O-SG 2.91Å
115K78.3Confident75Confident88 Ų8877.3 Ų77.338%0.38342%0.416SS..  trans-97.8-22.8175.9-79-178.6148.9-177.60113.2D102 L103 E105D102-K115 WeakPolarHBondContact O-CB 3.31Å; D102-K115 WeakPolarHBondContact O-CD 3.19Å; D102-K115 IonicContact OD1-NZ 2.7Å; D102-K115 PolarHBondContact OD1-NZ 3.41Å; D102-K115 IonicContact OD2-NZ 2.68Å; D102-K115 PolarHBondContact OD2-NZ 3.33Å; L103-K115 PolarHBondContact O-N 3.37Å; E105-K115 HydrophobicContact CB-CD 4.23Å; E105-K115 HydrophobicContact CB-CG 4.35Å; E105-K115 HydrophobicContact CG-CD 4.47Å; E105-K115 HydrophobicContact CG-CG 4.09Å; E105-K115 WeakPolarHBondContact OE2-CE 3.46Å
116G67.6Low74.5Confident17 Ų1776.6 Ų76.618%0.17542%0.416CS..SBendtrans-71.7151.2-173.600000113.5W114 G118W114-G116 PolarHBondContact NE1-O 2.96Å; G116-G118 PolarHBondContact O-N 3.48Å
117V59.4Low74.1Confident137 Ų13773.3 Ų73.383%0.8341%0.405SS*.SBendtrans-66.7108.2171.9-1740000108.9
118G55.3Low74.2Confident25 Ų2570.4 Ų70.426%0.25840%0.395SS..  trans-156.2158.5-174.400000113.1G116 G120 C121G116-G118 PolarHBondContact O-N 3.48Å; G118-G120 PolarHBondContact O-N 2.94Å; G118-C121 PolarHBondContact O-N 3.37Å; G118-C121 VanDerWaalsContact O-N 3.14Å
119A50.4Low74Confident93 Ų9375.6 Ų75.677%0.76941%0.405SS*.THydrogen-bonded Turntrans-56.8129.3174.700000109.9
120G54.1Low74.2Confident40 Ų4071 Ų7141%0.41239%0.39SS..THydrogen-bonded Turntrans92.8-17.5-176.900000116D71 G72 G118D71-G120 CarbonylContact C-O 3.57Å; D71-G120 VanDerWaalsContact CA-O 3.23Å; D71-G120 WeakPolarHBondContact CA-O 3.29Å; D71-G120 PolarHBondContact N-O 3.29Å; G72-G120 PolarHBondContact N-O 2.99Å; G118-G120 PolarHBondContact O-N 2.94Å
121C54.3Low74.4Confident25 Ų2575.3 Ų75.317%0.16940%0.401CS..THydrogen-bonded Turntrans-99.3-28.4-177.1-165.10000114.6W114 G118 T123W114-C121 PolarHBondContact O-SG 2.91Å; G118-C121 PolarHBondContact O-N 3.37Å; G118-C121 VanDerWaalsContact O-N 3.14Å; C121-T123 PolarHBondContact O-N 3.5Å
122N60.4Low74.7Confident63 Ų6381.6 Ų81.634%0.33742%0.423SS..SBendtrans-76.7115.8169.5-62.8-28.1000108.4I127N122-I127 HydrophobicContact CB-CD1 3.86Å; N122-I127 HydrophobicContact CB-CG1 3.57Å
123T66Low75Confident63 Ų6384.5 Ų84.539%0.38744%0.438SS..  trans-60.8147.8168.862.70000109.2C121 E125 V126 I127C121-T123 PolarHBondContact O-N 3.5Å; T123-E125 PolarHBondContact O-N 3.49Å; T123-E125 VanDerWaalsContact O-N 3.16Å; T123-V126 PolarHBondContact O-N 2.9Å; T123-V126 WeakPolarHBondContact OG1-CG2 3.45Å; T123-V126 PolarHBondContact OG1-N 2.85Å; T123-I127 PolarHBondContact O-N 3.43Å; T123-I127 VanDerWaalsContact O-N 3.16Å
124K70.4Confident75.4Confident161 Ų16189.5 Ų89.570%0.746%0.459SS*.Hα-helixtrans-52.3-41.9-179.9-178.5-175.1171.1-169.40111.4V126 I127 D128K124-V126 PolarHBondContact O-N 3.22Å; K124-I127 PolarHBondContact O-N 2.82Å; K124-D128 WeakPolarHBondContact CE-OD2 3.41Å; K124-D128 WeakPolarHBondContact CG-OD2 3.35Å; K124-D128 PolarHBondContact O-N 3.32Å
125E75.8Confident75.8Confident147 Ų14790.2 Ų90.269%0.68747%0.474SS*.Hα-helixtrans-53.9-45.3174.4-174.3-174.7169.100113.3T123 D128 R129T123-E125 PolarHBondContact O-N 3.49Å; T123-E125 VanDerWaalsContact O-N 3.16Å; E125-D128 PolarHBondContact O-N 3.34Å; E125-R129 WeakPolarHBondContact O-CB 3.42Å; E125-R129 PolarHBondContact O-N 2.73Å
126V80.4Confident76.7Confident67 Ų6789.6 Ų89.641%0.40647%0.472SS..Hα-helixtrans-67.3-38.7177.1168.60000111.4T123 K124 L130T123-V126 PolarHBondContact O-N 2.9Å; T123-V126 WeakPolarHBondContact OG1-CG2 3.45Å; T123-V126 PolarHBondContact OG1-N 2.85Å; K124-V126 PolarHBondContact O-N 3.22Å; V126-L130 HydrophobicContact CG1-CD1 3.88Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CB 3.28Å; V126-L130 WeakPolarHBondContact O-CB 3.35Å; V126-L130 WeakPolarHBondContact O-CD1 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.02Å
127I82.1Confident78.2Confident77 Ų7793.1 Ų93.140%0.39549%0.486SS..Hα-helixtrans-65.9-46.4176.5-54.3176000111N122 T123 K124 L130 R131N122-I127 HydrophobicContact CB-CD1 3.86Å; N122-I127 HydrophobicContact CB-CG1 3.57Å; T123-I127 PolarHBondContact O-N 3.43Å; T123-I127 VanDerWaalsContact O-N 3.16Å; K124-I127 PolarHBondContact O-N 2.82Å; I127-L130 PolarHBondContact O-N 2.97Å; I127-R131 PolarHBondContact O-N 3.02Å
128D86.6Confident80Confident54 Ų5493.3 Ų93.329%0.28948%0.478SS..Hα-helixtrans-69.9-37.7-178.6-72.1-29.7000111.1K124 E125 R131 Y132K124-D128 WeakPolarHBondContact CE-OD2 3.41Å; K124-D128 WeakPolarHBondContact CG-OD2 3.35Å; K124-D128 PolarHBondContact O-N 3.32Å; E125-D128 PolarHBondContact O-N 3.34Å; D128-R131 WeakPolarHBondContact O-CB 3.29Å; D128-R131 PolarHBondContact O-N 3.08Å; D128-R131 IonicContact OD1-CZ 3.19Å; D128-R131 IonicContact OD1-NH1 2.91Å; D128-R131 PolarHBondContact OD1-NH1 2.98Å; D128-R131 IonicContact OD1-NH2 2.7Å; D128-R131 PolarHBondContact OD1-NH2 3.02Å; D128-Y132 PolarHBondContact O-N 3.21Å
129R87.8Confident82Confident168 Ų16895.2 Ų95.263%0.63448%0.482SS*.Hα-helixtrans-65.2-40.2172.1-173174.6-177.4173.91.7112.6E125 R131 Y132 L133E125-R129 WeakPolarHBondContact O-CB 3.42Å; E125-R129 PolarHBondContact O-N 2.73Å; R129-R131 VanDerWaalsContact C-N 3.25Å; R129-R131 PolarHBondContact O-N 3.37Å; R129-Y132 PolarHBondContact O-N 2.65Å; R129-L133 HydrophobicContact CG-CD1 3.95Å; R129-L133 HydrophobicContact CG-CG 4.32Å; R129-L133 WeakPolarHBondContact O-CB 3.38Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.42Å
130L88.6Confident84.3Confident93 Ų9395.4 Ų95.449%0.48747%0.47SS..Hα-helixtrans-65.7-27173.2-78.1168.6000112.7V126 I127 K134V126-L130 HydrophobicContact CG1-CD1 3.88Å; V126-L130 HydrophobicContact CG1-CG 4.46Å; V126-L130 VanDerWaalsContact O-CB 3.28Å; V126-L130 WeakPolarHBondContact O-CB 3.35Å; V126-L130 WeakPolarHBondContact O-CD1 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.41Å; V126-L130 PolarHBondContact O-N 3.02Å; I127-L130 PolarHBondContact O-N 2.97Å; L130-K134 VanDerWaalsContact O-CG 3.25Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L130-K134 PolarHBondContact O-N 3.44Å
131R91.8Very high86.4Confident152 Ų15298.6 Ų98.657%0.57447%0.474SS*.Hα-helixtrans-74.9-45.5172.5-164.2-173-50.9120.522111.2I127 D128 R129 K134 A135I127-R131 PolarHBondContact O-N 3.02Å; D128-R131 WeakPolarHBondContact O-CB 3.29Å; D128-R131 PolarHBondContact O-N 3.08Å; D128-R131 IonicContact OD1-CZ 3.19Å; D128-R131 IonicContact OD1-NH1 2.91Å; D128-R131 PolarHBondContact OD1-NH1 2.98Å; D128-R131 IonicContact OD1-NH2 2.7Å; D128-R131 PolarHBondContact OD1-NH2 3.02Å; R129-R131 VanDerWaalsContact C-N 3.25Å; R129-R131 PolarHBondContact O-N 3.37Å; R131-K134 PolarHBondContact O-N 3.07Å; R131-A135 PolarHBondContact O-N 2.95Å; R131-A135 VanDerWaalsContact O-N 3.14Å
132Y94.6Very high88.5Confident151 Ų151102 Ų10259%0.59249%0.49SS*.Hα-helixtrans-58.6-54.5177178.5-97.5000111.6D128 R129 K134 A135 E136D128-Y132 PolarHBondContact O-N 3.21Å; R129-Y132 PolarHBondContact O-N 2.65Å; Y132-K134 PolarHBondContact O-N 3.04Å; Y132-K134 VanDerWaalsContact O-N 3.15Å; Y132-A135 PolarHBondContact O-N 3.48Å; Y132-E136 VanDerWaalsContact CE1-OE2 3.24Å; Y132-E136 WeakPolarHBondContact CE1-OE2 3.47Å; Y132-E136 WeakPolarHBondContact O-CB 3.33Å; Y132-E136 PolarHBondContact O-N 2.83Å
133L95.5Very high90.2Very high68 Ų68104 Ų10436%0.35650%0.496SS..Hα-helixtrans-59.6-29.2-179.9-69.8169.8000113R129 E136 I137R129-L133 HydrophobicContact CG-CD1 3.95Å; R129-L133 HydrophobicContact CG-CG 4.32Å; R129-L133 WeakPolarHBondContact O-CB 3.38Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.42Å; L133-E136 WeakPolarHBondContact CD2-OE2 3.48Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.13Å; L133-I137 PolarHBondContact O-N 2.91Å
134K96.1Very high91.8Very high150 Ų150107.3 Ų107.365%0.65251%0.507SS*.Hα-helixtrans-72.6-42.8174.6-80.1-178.9175.1-161.80112.8L130 R131 Y132 E136 I137 E138L130-K134 VanDerWaalsContact O-CG 3.25Å; L130-K134 WeakPolarHBondContact O-CG 3.17Å; L130-K134 PolarHBondContact O-N 3.44Å; R131-K134 PolarHBondContact O-N 3.07Å; Y132-K134 PolarHBondContact O-N 3.04Å; Y132-K134 VanDerWaalsContact O-N 3.15Å; K134-E136 VanDerWaalsContact C-N 3.32Å; K134-I137 PolarHBondContact O-N 3.5Å; K134-E138 WeakPolarHBondContact O-CB 3.46Å; K134-E138 PolarHBondContact O-N 3.26Å
135A96.8Very high93.1Very high55 Ų55106.5 Ų106.546%0.45550%0.499SS..Hα-helixtrans-67.7-34.4175.300000111.8R131 Y132 E138 D139R131-A135 PolarHBondContact O-N 2.95Å; R131-A135 VanDerWaalsContact O-N 3.14Å; Y132-A135 PolarHBondContact O-N 3.48Å; A135-E138 PolarHBondContact O-N 3.37Å; A135-D139 WeakPolarHBondContact O-CB 3.49Å; A135-D139 PolarHBondContact O-N 3.1Å
136E97.1Very high94.1Very high76 Ų76103.5 Ų103.536%0.35549%0.485SS..Hα-helixtrans-65-42.5172.9-172.8176.6-164.600111.6Y132 L133 K134 D139 L140Y132-E136 VanDerWaalsContact CE1-OE2 3.24Å; Y132-E136 WeakPolarHBondContact CE1-OE2 3.47Å; Y132-E136 WeakPolarHBondContact O-CB 3.33Å; Y132-E136 PolarHBondContact O-N 2.83Å; L133-E136 WeakPolarHBondContact CD2-OE2 3.48Å; K134-E136 VanDerWaalsContact C-N 3.32Å; E136-D139 PolarHBondContact O-N 3.38Å; E136-L140 HydrophobicContact CG-CD1 4.23Å; E136-L140 WeakPolarHBondContact O-CB 3.13Å; E136-L140 WeakPolarHBondContact O-CG 3.3Å; E136-L140 PolarHBondContact O-N 3.38Å
137I98Very high94.9Very high91 Ų91105.5 Ų105.547%0.46749%0.493SS..Hα-helixtrans-62.7-43.7172.3-71.5163.6000111.3L133 K134 D139 L140 E141L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.29Å; L133-I137 WeakPolarHBondContact O-CG1 3.13Å; L133-I137 PolarHBondContact O-N 2.91Å; K134-I137 PolarHBondContact O-N 3.5Å; I137-D139 PolarHBondContact O-N 3.2Å; I137-L140 PolarHBondContact O-N 2.85Å; I137-E141 HydrophobicContact CG2-CG 4.29Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.37Å; I137-E141 WeakPolarHBondContact O-CB 3.36Å; I137-E141 WeakPolarHBondContact O-CG 3.48Å; I137-E141 PolarHBondContact O-N 2.99Å
138E97.9Very high95.6Very high140 Ų140105.6 Ų105.665%0.65450%0.495SS*.Hα-helixtrans-64.1-38.1179.6-172.2170.6-165.900112.7K134 A135 L142K134-E138 WeakPolarHBondContact O-CB 3.46Å; K134-E138 PolarHBondContact O-N 3.26Å; A135-E138 PolarHBondContact O-N 3.37Å; E138-L142 WeakPolarHBondContact O-CB 3.43Å; E138-L142 PolarHBondContact O-N 3.15Å; E138-L142 VanDerWaalsContact O-N 3.1Å
139D98Very high96.1Very high66 Ų66106.6 Ų106.635%0.35350%0.497SS..Hα-helixtrans-68-40.3172169.973000112.6A135 E136 I137 L142 K143A135-D139 WeakPolarHBondContact O-CB 3.49Å; A135-D139 PolarHBondContact O-N 3.1Å; E136-D139 PolarHBondContact O-N 3.38Å; I137-D139 PolarHBondContact O-N 3.2Å; D139-L142 WeakPolarHBondContact O-CB 3.4Å; D139-L142 PolarHBondContact O-N 2.99Å; D139-K143 WeakPolarHBondContact O-CG 3.49Å; D139-K143 PolarHBondContact O-N 2.68Å; D139-K143 WeakPolarHBondContact OD1-CE 3.33Å; D139-K143 IonicContact OD1-NZ 2.73Å; D139-K143 PolarHBondContact OD1-NZ 3.16Å; D139-K143 WeakPolarHBondContact OD2-CE 3.33Å; D139-K143 IonicContact OD2-NZ 3.16Å; D139-K143 PolarHBondContact OD2-NZ 3.34Å
140L98.1Very high96.4Very high97 Ų97100.9 Ų100.951%0.50848%0.478SS..Hα-helixtrans-67.9-41.9175.4-71.6169.3000112.1E136 I137 L142 K143 E144E136-L140 HydrophobicContact CG-CD1 4.23Å; E136-L140 WeakPolarHBondContact O-CB 3.13Å; E136-L140 WeakPolarHBondContact O-CG 3.3Å; E136-L140 PolarHBondContact O-N 3.38Å; I137-L140 PolarHBondContact O-N 2.85Å; L140-L142 PolarHBondContact O-N 3.13Å; L140-K143 PolarHBondContact O-N 2.95Å; L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 3.06Å
141E98.3Very high96.7Very high106 Ų106101.7 Ų101.750%0.49548%0.478SS..Hα-helixtrans-63.1-30.4173.5-75.8179.9-170.900112.2I137 R145I137-E141 HydrophobicContact CG2-CG 4.29Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.37Å; I137-E141 WeakPolarHBondContact O-CB 3.36Å; I137-E141 WeakPolarHBondContact O-CG 3.48Å; I137-E141 PolarHBondContact O-N 2.99Å; E141-R145 WeakPolarHBondContact O-CB 3.19Å; E141-R145 PolarHBondContact O-N 3.42Å; E141-R145 PolarHBondContact O-NH2 3.4Å
142L98Very high96.9Very high98 Ų9899.1 Ų99.151%0.51348%0.475SS..Hα-helixtrans-70.4-45172178.760.4000111.7E138 D139 L140 R145 E146E138-L142 WeakPolarHBondContact O-CB 3.43Å; E138-L142 PolarHBondContact O-N 3.15Å; E138-L142 VanDerWaalsContact O-N 3.1Å; D139-L142 WeakPolarHBondContact O-CB 3.4Å; D139-L142 PolarHBondContact O-N 2.99Å; L140-L142 PolarHBondContact O-N 3.13Å; L142-R145 PolarHBondContact O-N 3.32Å; L142-E146 PolarHBondContact O-N 2.87Å
143K97.1Very high96.8Very high105 Ų10596.4 Ų96.446%0.45746%0.463SS..Hα-helixtrans-67.5-39.4178.8-73.7164.7-179.9166.10113.2D139 L140 R145 E146 L147D139-K143 WeakPolarHBondContact O-CG 3.49Å; D139-K143 PolarHBondContact O-N 2.68Å; D139-K143 WeakPolarHBondContact OD1-CE 3.33Å; D139-K143 IonicContact OD1-NZ 2.73Å; D139-K143 PolarHBondContact OD1-NZ 3.16Å; D139-K143 WeakPolarHBondContact OD2-CE 3.33Å; D139-K143 IonicContact OD2-NZ 3.16Å; D139-K143 PolarHBondContact OD2-NZ 3.34Å; L140-K143 PolarHBondContact O-N 2.95Å; K143-R145 VanDerWaalsContact C-N 3.34Å; K143-R145 PolarHBondContact O-N 2.76Å; K143-E146 PolarHBondContact O-N 3.12Å; K143-L147 WeakPolarHBondContact O-CB 3.21Å; K143-L147 WeakPolarHBondContact O-CG 3.4Å; K143-L147 PolarHBondContact O-N 3.11Å
144E98.1Very high96.8Very high132 Ų13296.9 Ų96.962%0.61747%0.466SS*.Hα-helixtrans-60.2-45.4174.5-177.1172.4-156.500111.1L140 E146 L147 D148L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 3.06Å; E144-E146 PolarHBondContact O-N 3.17Å; E144-L147 PolarHBondContact O-N 3.01Å; E144-D148 PolarHBondContact O-N 3.26Å
145R98Very high96.7Very high143 Ų14395.3 Ų95.354%0.5446%0.461SS..Hα-helixtrans-63.3-40.2177.8-167.5-174.2-47.9111.513.5112.9E141 L142 K143 Q149E141-R145 WeakPolarHBondContact O-CB 3.19Å; E141-R145 PolarHBondContact O-N 3.42Å; E141-R145 PolarHBondContact O-NH2 3.4Å; L142-R145 PolarHBondContact O-N 3.32Å; K143-R145 VanDerWaalsContact C-N 3.34Å; K143-R145 PolarHBondContact O-N 2.76Å; R145-Q149 WeakPolarHBondContact O-CB 3.42Å; R145-Q149 PolarHBondContact O-N 2.81Å
146E97.1Very high96.5Very high84 Ų8496.6 Ų96.639%0.39346%0.457SS..Hα-helixtrans-66.8-45.3176.7-177.953.8-144.600111.3L142 K143 E144 D148 Q149 Q150L142-E146 PolarHBondContact O-N 2.87Å; K143-E146 PolarHBondContact O-N 3.12Å; E144-E146 PolarHBondContact O-N 3.17Å; E146-D148 PolarHBondContact O-N 2.94Å; E146-Q149 WeakPolarHBondContact O-CB 3.34Å; E146-Q149 PolarHBondContact O-N 2.97Å; E146-Q149 VanDerWaalsContact O-N 3.15Å; E146-Q150 WeakPolarHBondContact O-CG 3.49Å; E146-Q150 PolarHBondContact O-N 3.49Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.4Å; E146-Q150 PolarHBondContact OE1-NE2 3.32Å
147L97.1Very high96.4Very high109 Ų10994 Ų9457%0.57145%0.448SS*.Hα-helixtrans-62.3-39.5175.4-72.1170.3000112.4K143 E144 Q150 K151K143-L147 WeakPolarHBondContact O-CB 3.21Å; K143-L147 WeakPolarHBondContact O-CG 3.4Å; K143-L147 PolarHBondContact O-N 3.11Å; E144-L147 PolarHBondContact O-N 3.01Å; L147-Q150 PolarHBondContact O-N 3.1Å; L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 PolarHBondContact O-N 2.68Å
148D97.3Very high96.2Very high80 Ų8093.7 Ų93.743%0.42845%0.446SS..Hα-helixtrans-67-35.4174.1-106.9-9.9000112.3E144 E146 K151 L152E144-D148 PolarHBondContact O-N 3.26Å; E146-D148 PolarHBondContact O-N 2.94Å; D148-K151 WeakPolarHBondContact OD1-CD 3.18Å; D148-K151 WeakPolarHBondContact OD1-CE 3.24Å; D148-K151 IonicContact OD1-NZ 2.64Å; D148-K151 PolarHBondContact OD1-NZ 3.03Å; D148-L152 WeakPolarHBondContact O-CB 3.49Å; D148-L152 PolarHBondContact O-N 3.21Å
149Q96.3Very high95.9Very high74 Ų7491.8 Ų91.835%0.34644%0.436SS..Hα-helixtrans-67-43.9174.9-178.157.894.800112R145 E146 L152 W153R145-Q149 WeakPolarHBondContact O-CB 3.42Å; R145-Q149 PolarHBondContact O-N 2.81Å; E146-Q149 WeakPolarHBondContact O-CB 3.34Å; E146-Q149 PolarHBondContact O-N 2.97Å; E146-Q149 VanDerWaalsContact O-N 3.15Å; Q149-L152 PolarHBondContact O-N 3.13Å; Q149-W153 HydrophobicContact CG-CD2 4.25Å; Q149-W153 HydrophobicContact CG-CE3 4.46Å; Q149-W153 HydrophobicContact CG-CH2 3.85Å; Q149-W153 HydrophobicContact CG-CZ2 3.61Å; Q149-W153 HydrophobicContact CG-CZ3 4.27Å; Q149-W153 VanDerWaalsContact NE2-NE1 3.14Å; Q149-W153 PolarHBondContact O-N 3.07Å
150Q94.3Very high95.7Very high49 Ų4992 Ų9223%0.22944%0.437CS..Hα-helixtrans-65-43.8175.7-69.1172.313.400111.9E146 L147 L152 W153 L154E146-Q150 WeakPolarHBondContact O-CG 3.49Å; E146-Q150 PolarHBondContact O-N 3.49Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.4Å; E146-Q150 PolarHBondContact OE1-NE2 3.32Å; L147-Q150 PolarHBondContact O-N 3.1Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.39Å; Q150-W153 HydrophobicContact CG-CE3 4.4Å; Q150-W153 HydrophobicContact CG-CZ3 4.43Å; Q150-W153 PolarHBondContact O-N 3.17Å; Q150-L154 WeakPolarHBondContact O-CB 3.47Å; Q150-L154 PolarHBondContact O-N 3.41Å
151K94.9Very high95.4Very high110 Ų11090.8 Ų90.848%0.47843%0.433SS..Hα-helixtrans-57.1-43.2172.9167.2-180147.7-1560111.9L147 D148 L154 Q155L147-K151 WeakPolarHBondContact O-CB 3.47Å; L147-K151 PolarHBondContact O-N 2.68Å; D148-K151 WeakPolarHBondContact OD1-CD 3.18Å; D148-K151 WeakPolarHBondContact OD1-CE 3.24Å; D148-K151 IonicContact OD1-NZ 2.64Å; D148-K151 PolarHBondContact OD1-NZ 3.03Å; K151-L154 PolarHBondContact O-N 3.3Å; K151-Q155 WeakPolarHBondContact O-CB 3.38Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.39Å; K151-Q155 PolarHBondContact O-N 3.21Å
152L96.2Very high95Very high97 Ų9791 Ų9151%0.50844%0.436SS..Hα-helixtrans-64.9-43.3175.9-179.361.5000111.9D148 Q149 Q150 Q155 Q156D148-L152 WeakPolarHBondContact O-CB 3.49Å; D148-L152 PolarHBondContact O-N 3.21Å; Q149-L152 PolarHBondContact O-N 3.13Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.39Å; L152-Q155 PolarHBondContact O-N 3.27Å; L152-Q156 WeakPolarHBondContact O-CB 3.46Å; L152-Q156 PolarHBondContact O-N 3.38Å
153W92.3Very high94.6Very high94 Ų9491.5 Ų91.536%0.35644%0.439SS..Hα-helixtrans-63.1-42.9174.8-68.6-26.5000112.4Q149 Q150 Q156 S157 R316Q149-W153 HydrophobicContact CG-CD2 4.25Å; Q149-W153 HydrophobicContact CG-CE3 4.46Å; Q149-W153 HydrophobicContact CG-CH2 3.85Å; Q149-W153 HydrophobicContact CG-CZ2 3.61Å; Q149-W153 HydrophobicContact CG-CZ3 4.27Å; Q149-W153 VanDerWaalsContact NE2-NE1 3.14Å; Q149-W153 PolarHBondContact O-N 3.07Å; Q150-W153 HydrophobicContact CG-CE3 4.4Å; Q150-W153 HydrophobicContact CG-CZ3 4.43Å; Q150-W153 PolarHBondContact O-N 3.17Å; W153-Q156 PolarHBondContact O-N 2.89Å; W153-S157 VanDerWaalsContact O-CB 3.29Å; W153-S157 WeakPolarHBondContact O-CB 3.24Å; W153-S157 PolarHBondContact O-N 3.2Å; W153-R316 VanDerWaalsContact CD2-NH1 3.33Å
154L95.4Very high94.4Very high79 Ų7989.4 Ų89.441%0.41443%0.433SS..Hα-helixtrans-65.3-43.3177.9-178.360000111.5Q150 K151 Q156 S157 I158 L314Q150-L154 WeakPolarHBondContact O-CB 3.47Å; Q150-L154 PolarHBondContact O-N 3.41Å; K151-L154 PolarHBondContact O-N 3.3Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.18Å; L154-S157 PolarHBondContact O-N 3.48Å; L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 4.18Å; L154-I158 HydrophobicContact CG-CD1 3.88Å; L154-I158 WeakPolarHBondContact O-CB 3.46Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.19Å; L154-I158 PolarHBondContact O-N 3.35Å; L154-L314 HydrophobicContact CD1-CD1 4.46Å; L154-L314 HydrophobicContact CD2-CD1 4.29Å
155Q94.1Very high94.1Very high117 Ų11787.7 Ų87.755%0.54744%0.435SS..Hα-helixtrans-61.2-42174.7-76.2179.7-1400112.1K151 L152 K159K151-Q155 WeakPolarHBondContact O-CB 3.38Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.39Å; K151-Q155 PolarHBondContact O-N 3.21Å; L152-Q155 PolarHBondContact O-N 3.27Å; Q155-K159 WeakPolarHBondContact O-CB 3.15Å; Q155-K159 PolarHBondContact O-N 2.79Å
156Q93.2Very high93.8Very high81 Ų8185.9 Ų85.938%0.37944%0.435SS..Hα-helixtrans-70.4-37.2176.7-172.259.150.200112.2L152 W153 L154 K159 N160L152-Q156 WeakPolarHBondContact O-CB 3.46Å; L152-Q156 PolarHBondContact O-N 3.38Å; W153-Q156 PolarHBondContact O-N 2.89Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.18Å; Q156-K159 PolarHBondContact O-N 2.86Å; Q156-N160 PolarHBondContact NE2-OD1 3.05Å; Q156-N160 WeakPolarHBondContact O-CB 3.37Å; Q156-N160 PolarHBondContact O-N 2.95Å; Q156-N160 PolarHBondContact O-ND2 2.88Å; Q156-N160 PolarHBondContact O-OD1 3.18Å
157S94.5Very high93.5Very high22 Ų2284.9 Ų84.915%0.15443%0.433CS..Hα-helixtrans-64.2-49.7175.7-179.90000111.6W153 L154 K159 N160 V161W153-S157 VanDerWaalsContact O-CB 3.29Å; W153-S157 WeakPolarHBondContact O-CB 3.24Å; W153-S157 PolarHBondContact O-N 3.2Å; L154-S157 PolarHBondContact O-N 3.48Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K159 PolarHBondContact O-N 2.85Å; S157-N160 WeakPolarHBondContact O-CB 3.44Å; S157-N160 PolarHBondContact O-N 3.08Å; S157-N160 VanDerWaalsContact O-N 3.15Å; S157-V161 WeakPolarHBondContact O-CG2 3.15Å; S157-V161 PolarHBondContact O-N 2.98Å
158I94Very high93.1Very high85 Ų8584.8 Ų84.844%0.43643%0.433SS..Hα-helixtrans-56.4-44.2173.9-70.5167.8000110.4L154 V161 M162L154-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 HydrophobicContact CD1-CG1 4.18Å; L154-I158 HydrophobicContact CG-CD1 3.88Å; L154-I158 WeakPolarHBondContact O-CB 3.46Å; L154-I158 VanDerWaalsContact O-CG1 3.29Å; L154-I158 WeakPolarHBondContact O-CG1 3.19Å; L154-I158 PolarHBondContact O-N 3.35Å; I158-V161 PolarHBondContact O-N 3.39Å; I158-M162 HydrophobicContact CG2-CE 3.8Å; I158-M162 HydrophobicContact CG2-CG 4.47Å; I158-M162 HydrophobicContact CG2-SD 4.01Å; I158-M162 VanDerWaalsContact O-CG 3.31Å; I158-M162 WeakPolarHBondContact O-CG 3.49Å; I158-M162 PolarHBondContact O-N 2.95Å
159K92.8Very high92.8Very high100 Ų10090.5 Ų90.544%0.43545%0.448SS..Hα-helixtrans-60.7-49.2175.4-177.2178.3175.6-174.90112.3Q155 Q156 S157 V161 M162 D163Q155-K159 WeakPolarHBondContact O-CB 3.15Å; Q155-K159 PolarHBondContact O-N 2.79Å; Q156-K159 PolarHBondContact O-N 2.86Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K159 PolarHBondContact O-N 2.85Å; K159-V161 VanDerWaalsContact C-N 3.26Å; K159-V161 PolarHBondContact O-N 2.86Å; K159-M162 PolarHBondContact O-N 3.16Å; K159-D163 WeakPolarHBondContact CE-OD2 3.42Å; K159-D163 VanDerWaalsContact CG-OD2 3.28Å; K159-D163 WeakPolarHBondContact CG-OD2 3.21Å; K159-D163 WeakPolarHBondContact O-CB 3.23Å; K159-D163 PolarHBondContact O-N 2.82Å
160N92Very high92.6Very high69 Ų6993.2 Ų93.237%0.36946%0.459SS..Hα-helixtrans-56-42.2178.4-67.7-16.8000111.5Q156 S157 D164Q156-N160 PolarHBondContact NE2-OD1 3.05Å; Q156-N160 WeakPolarHBondContact O-CB 3.37Å; Q156-N160 PolarHBondContact O-N 2.95Å; Q156-N160 PolarHBondContact O-ND2 2.88Å; Q156-N160 PolarHBondContact O-OD1 3.18Å; S157-N160 WeakPolarHBondContact O-CB 3.44Å; S157-N160 PolarHBondContact O-N 3.08Å; S157-N160 VanDerWaalsContact O-N 3.15Å; N160-D164 PolarHBondContact O-N 3.03Å
161V92.6Very high92.5Very high72 Ų7295.7 Ų95.744%0.43648%0.482SS..Hα-helixtrans-69.1-38.6179.51730000112.2S157 I158 K159 N167S157-V161 WeakPolarHBondContact O-CG2 3.15Å; S157-V161 PolarHBondContact O-N 2.98Å; I158-V161 PolarHBondContact O-N 3.39Å; K159-V161 VanDerWaalsContact C-N 3.26Å; K159-V161 PolarHBondContact O-N 2.86Å; V161-N167 WeakPolarHBondContact O-CB 3.23Å; V161-N167 PolarHBondContact O-ND2 3.46Å
162M89.9Confident92.4Very high111 Ų11198.2 Ų98.255%0.54749%0.489SS..Hα-helixtrans-78-35.8179.9-67.6-174.9-47.200114.1I158 K159 D164 N168I158-M162 HydrophobicContact CG2-CE 3.8Å; I158-M162 HydrophobicContact CG2-CG 4.47Å; I158-M162 HydrophobicContact CG2-SD 4.01Å; I158-M162 VanDerWaalsContact O-CG 3.31Å; I158-M162 WeakPolarHBondContact O-CG 3.49Å; I158-M162 PolarHBondContact O-N 2.95Å; K159-M162 PolarHBondContact O-N 3.16Å; M162-D164 VanDerWaalsContact C-N 3.31Å; M162-N168 PolarHBondContact O-ND2 3.14Å
163D90.2Very high92.3Very high109 Ų10998.3 Ų98.358%0.58349%0.494SS*.Hα-helixtrans-79-13.2-178.4-73.4-6.2000112.3K159 S165K159-D163 WeakPolarHBondContact CE-OD2 3.42Å; K159-D163 VanDerWaalsContact CG-OD2 3.28Å; K159-D163 WeakPolarHBondContact CG-OD2 3.21Å; K159-D163 WeakPolarHBondContact O-CB 3.23Å; K159-D163 PolarHBondContact O-N 2.82Å; D163-S165 PolarHBondContact O-N 3.16Å
164D92.4Very high92.2Very high61 Ų6196.8 Ų96.833%0.32650%0.495SS..  trans-67.6119.8174-175.6-14.8000111.5N160 M162 I166 N167 N168N160-D164 PolarHBondContact O-N 3.03Å; M162-D164 VanDerWaalsContact C-N 3.31Å; D164-I166 PolarHBondContact O-N 3.42Å; D164-I166 VanDerWaalsContact O-N 3.12Å; D164-I166 PolarHBondContact OD1-N 3.41Å; D164-N167 HydrophobicContact CB-CB 4.25Å; D164-N167 PolarHBondContact O-N 3.17Å; D164-N167 VanDerWaalsContact O-N 3.17Å; D164-N168 VanDerWaalsContact O-CB 3.31Å; D164-N168 WeakPolarHBondContact O-CB 3.49Å; D164-N168 PolarHBondContact O-N 2.93Å
165S91.8Very high91.9Very high96 Ų9698.6 Ų98.667%0.67150%0.501SS*.Hα-helixtrans-51.7-29175.962.60000115.7D163D163-S165 PolarHBondContact O-N 3.16Å
166I92.3Very high91.6Very high105 Ų10599.3 Ų99.354%0.53851%0.505SS..Hα-helixtrans-75.1-54.1177.4-59177.8000109D164 N168 R169 F170D164-I166 PolarHBondContact O-N 3.42Å; D164-I166 VanDerWaalsContact O-N 3.12Å; D164-I166 PolarHBondContact OD1-N 3.41Å; I166-N168 VanDerWaalsContact C-N 3.29Å; I166-N168 PolarHBondContact O-N 2.94Å; I166-R169 WeakPolarHBondContact O-CB 3.36Å; I166-R169 PolarHBondContact O-N 2.99Å; I166-R169 VanDerWaalsContact O-N 3.15Å; I166-F170 HydrophobicContact CG2-CD2 4.4Å; I166-F170 HydrophobicContact CG2-CE2 4.06Å; I166-F170 WeakPolarHBondContact O-CD2 3.49Å
167N90.4Very high91.5Very high63 Ų6399.4 Ų99.434%0.33751%0.508SS..Hα-helixtrans-62.4-37.8179.9-62.3-24.8000111.7V161 D164 R169 F170 S171V161-N167 WeakPolarHBondContact O-CB 3.23Å; V161-N167 PolarHBondContact O-ND2 3.46Å; D164-N167 HydrophobicContact CB-CB 4.25Å; D164-N167 PolarHBondContact O-N 3.17Å; D164-N167 VanDerWaalsContact O-N 3.17Å; N167-R169 PolarHBondContact O-N 3.19Å; N167-F170 CarbonylContact O-C 3.52Å; N167-F170 WeakPolarHBondContact O-CA 3.42Å; N167-F170 PolarHBondContact O-N 3.15Å; N167-S171 PolarHBondContact O-N 3.34Å
168N89.5Confident91.4Very high106 Ų106100.5 Ų100.557%0.56751%0.511SS*.Hα-helixtrans-55.4-39.3176.4-160.1-82.5000111.9M162 D164 I166 F170 S171M162-N168 PolarHBondContact O-ND2 3.14Å; D164-N168 VanDerWaalsContact O-CB 3.31Å; D164-N168 WeakPolarHBondContact O-CB 3.49Å; D164-N168 PolarHBondContact O-N 2.93Å; I166-N168 VanDerWaalsContact C-N 3.29Å; I166-N168 PolarHBondContact O-N 2.94Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.35Å; N168-S171 WeakPolarHBondContact O-CB 3.23Å; N168-S171 PolarHBondContact O-N 3.06Å
169R90.6Very high91.1Very high200 Ų20097.5 Ų97.576%0.75550%0.497SS*.Hα-helixtrans-66.3-24.3175.9-176.4174.8178.2136.73113.7I166 N167 Y172I166-R169 WeakPolarHBondContact O-CB 3.36Å; I166-R169 PolarHBondContact O-N 2.99Å; I166-R169 VanDerWaalsContact O-N 3.15Å; N167-R169 PolarHBondContact O-N 3.19Å; R169-Y172 WeakPolarHBondContact O-CD1 3.45Å; R169-Y172 WeakPolarHBondContact O-CE1 3.18Å
170F91.9Very high90.9Very high131 Ų13197.2 Ų97.258%0.57550%0.501SS*.Hα-helixtrans-1022.2176.7-59.6-69.4000113.2I166 N167 N168 Y172I166-F170 HydrophobicContact CG2-CD2 4.4Å; I166-F170 HydrophobicContact CG2-CE2 4.06Å; I166-F170 WeakPolarHBondContact O-CD2 3.49Å; N167-F170 CarbonylContact O-C 3.52Å; N167-F170 WeakPolarHBondContact O-CA 3.42Å; N167-F170 PolarHBondContact O-N 3.15Å; N168-F170 VanDerWaalsContact C-N 3.26Å; N168-F170 PolarHBondContact O-N 3.35Å; F170-Y172 PolarHBondContact O-N 2.96Å
171S92.4Very high90.8Very high101 Ų10198.2 Ų98.271%0.70651%0.512SS*.  trans-81.566.9179.7-158.20000111.2N167 N168N167-S171 PolarHBondContact O-N 3.34Å; N168-S171 WeakPolarHBondContact O-CB 3.23Å; N168-S171 PolarHBondContact O-N 3.06Å
172Y91.9Very high90.5Very high163 Ų163100 Ų10064%0.63951%0.514SS*.  trans-144.2165176.965.4-99.3000111.9R169 F170 T174R169-Y172 WeakPolarHBondContact O-CD1 3.45Å; R169-Y172 WeakPolarHBondContact O-CE1 3.18Å; F170-Y172 PolarHBondContact O-N 2.96Å; Y172-T174 HydrophobicContact CE2-CG2 4.42Å
173V93.4Very high90.3Very high99 Ų99101 Ų10160%0.652%0.522SS*.  trans-119.8148.1171-680000108.7I178V173-I178 HydrophobicContact CB-CD1 4.19Å; V173-I178 HydrophobicContact CB-CG1 4.11Å; V173-I178 HydrophobicContact CG1-CD1 4.5Å; V173-I178 HydrophobicContact CG2-CD1 3.91Å; V173-I178 HydrophobicContact CG2-CG1 3.71Å
174T91.8Very high89.9Confident63 Ų6399.3 Ų99.339%0.38753%0.53SS..  trans-84.6166.6177.376.20000111.7Y172 E176 D177 I178Y172-T174 HydrophobicContact CE2-CG2 4.42Å; T174-E176 PolarHBondContact O-N 3.42Å; T174-E176 PolarHBondContact OG1-N 3.43Å; T174-D177 WeakPolarHBondContact CA-OD2 3.36Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.36Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.48Å; T174-D177 PolarHBondContact N-OD2 2.85Å; T174-D177 PolarHBondContact OG1-N 3.39Å; T174-D177 PolarHBondContact OG1-OD2 3.5Å; T174-I178 PolarHBondContact O-N 2.87Å
175H87.8Confident89.7Confident117 Ų117101.1 Ų101.154%0.54254%0.54SS..Hα-helixtrans-60.1-35.9169.7171.2-77.9000111.9C179H175-C179 VanDerWaalsContact CE1-SG 3.55Å; H175-C179 VanDerWaalsContact O-CB 3.29Å; H175-C179 WeakPolarHBondContact O-CB 3.22Å; H175-C179 PolarHBondContact O-N 2.76Å; H175-C179 PolarHBondContact O-SG 2.91Å; H175-C179 VanDerWaalsContact O-SG 3.36Å
176E89.4Confident89.5Confident132 Ų132102 Ų10262%0.61754%0.542SS*.Hα-helixtrans-69.2-46.3-178-177.4164.3-177.500111.3T174 I178 C179 N180T174-E176 PolarHBondContact O-N 3.42Å; T174-E176 PolarHBondContact OG1-N 3.43Å; E176-I178 VanDerWaalsContact C-N 3.33Å; E176-I178 PolarHBondContact O-N 2.93Å; E176-C179 PolarHBondContact O-N 2.7Å; E176-N180 WeakPolarHBondContact CG-ND2 3.25Å; E176-N180 VanDerWaalsContact O-CB 3.26Å; E176-N180 WeakPolarHBondContact O-CB 3.28Å; E176-N180 PolarHBondContact O-N 3.16Å; E176-N180 PolarHBondContact O-ND2 3.25Å
177D90.9Very high89.5Confident82 Ų8298.1 Ų98.144%0.43952%0.522SS..Hα-helixtrans-53.5-50.3177.2-53.3-50.2000111.4T174 C181T174-D177 WeakPolarHBondContact CA-OD2 3.36Å; T174-D177 VanDerWaalsContact CB-OD2 3.24Å; T174-D177 WeakPolarHBondContact CB-OD2 3.36Å; T174-D177 WeakPolarHBondContact CG2-OD2 3.48Å; T174-D177 PolarHBondContact N-OD2 2.85Å; T174-D177 PolarHBondContact OG1-N 3.39Å; T174-D177 PolarHBondContact OG1-OD2 3.5Å; D177-C181 PolarHBondContact O-N 3.47Å; D177-C181 PolarHBondContact O-SG 2.77Å; D177-C181 VanDerWaalsContact O-SG 3.39Å
178I90.8Very high89.6Confident45 Ų45100.2 Ų100.223%0.23153%0.532CS..Hα-helixtrans-74-36.5-175-60.4-58.6000112.3V173 T174 E176 C181 F182 L187 I229V173-I178 HydrophobicContact CB-CD1 4.19Å; V173-I178 HydrophobicContact CB-CG1 4.11Å; V173-I178 HydrophobicContact CG1-CD1 4.5Å; V173-I178 HydrophobicContact CG2-CD1 3.91Å; V173-I178 HydrophobicContact CG2-CG1 3.71Å; T174-I178 PolarHBondContact O-N 2.87Å; E176-I178 VanDerWaalsContact C-N 3.33Å; E176-I178 PolarHBondContact O-N 2.93Å; I178-C181 PolarHBondContact O-N 2.88Å; I178-F182 HydrophobicContact CG2-CD2 4.48Å; I178-F182 WeakPolarHBondContact O-CD2 3.47Å; I178-F182 PolarHBondContact O-N 3.15Å; I178-L187 HydrophobicContact CG2-CD1 4.39Å; I178-I229 HydrophobicContact CB-CD1 4.48Å; I178-I229 HydrophobicContact CG2-CD1 3.66Å
179C87.8Confident89.7Confident22 Ų2297 Ų9715%0.14952%0.521CS..Hα-helixtrans-70.1-37.9175.4-74.80000111.9H175 E176 C181 F182 N183H175-C179 VanDerWaalsContact CE1-SG 3.55Å; H175-C179 VanDerWaalsContact O-CB 3.29Å; H175-C179 WeakPolarHBondContact O-CB 3.22Å; H175-C179 PolarHBondContact O-N 2.76Å; H175-C179 PolarHBondContact O-SG 2.91Å; H175-C179 VanDerWaalsContact O-SG 3.36Å; E176-C179 PolarHBondContact O-N 2.7Å; C179-C181 VanDerWaalsContact C-N 3.27Å; C179-C181 PolarHBondContact O-N 3.31Å; C179-F182 CarbonylContact O-C 3.41Å; C179-F182 PolarHBondContact O-N 3.38Å; C179-F182 VanDerWaalsContact O-N 3.11Å; C179-N183 PolarHBondContact O-N 3.06Å; C179-N183 PolarHBondContact O-OD1 2.89Å
180N88.5Confident89.9Confident94 Ų9491.1 Ų91.150%0.50350%0.503SS..Hα-helixtrans-63.4-32.2176.4-73.2-17.5000112.5E176 N183E176-N180 WeakPolarHBondContact CG-ND2 3.25Å; E176-N180 VanDerWaalsContact O-CB 3.26Å; E176-N180 WeakPolarHBondContact O-CB 3.28Å; E176-N180 PolarHBondContact O-N 3.16Å; E176-N180 PolarHBondContact O-ND2 3.25Å; N180-N183 PolarHBondContact O-ND2 3.33Å; N180-N183 VanDerWaalsContact O-ND2 3.08Å
181C90.4Very high90Very high90 Ų9091.2 Ų91.261%0.60851%0.506SS*.Hα-helixtrans-69.3-29.3172.6-73.90000114.3D177 I178 C179D177-C181 PolarHBondContact O-N 3.47Å; D177-C181 PolarHBondContact O-SG 2.77Å; D177-C181 VanDerWaalsContact O-SG 3.39Å; I178-C181 PolarHBondContact O-N 2.88Å; C179-C181 VanDerWaalsContact C-N 3.27Å; C179-C181 PolarHBondContact O-N 3.31Å
182F87.1Confident90.1Very high109 Ų10988.4 Ų88.448%0.47849%0.489SS..SBendtrans-135.460.6-167.3-60.6-73000112.3I178 C179 G184 D185 L187I178-F182 HydrophobicContact CG2-CD2 4.48Å; I178-F182 WeakPolarHBondContact O-CD2 3.47Å; I178-F182 PolarHBondContact O-N 3.15Å; C179-F182 CarbonylContact O-C 3.41Å; C179-F182 PolarHBondContact O-N 3.38Å; C179-F182 VanDerWaalsContact O-N 3.11Å; F182-G184 PolarHBondContact O-N 3.21Å; F182-D185 PolarHBondContact O-N 3.19Å; F182-L187 HydrophobicContact CB-CD1 3.92Å; F182-L187 HydrophobicContact CB-CD2 3.64Å; F182-L187 HydrophobicContact CB-CG 4.3Å; F182-L187 HydrophobicContact CD2-CD2 4.13Å; F182-L187 HydrophobicContact CG-CD2 3.98Å
183N84.7Confident90.3Very high132 Ų13282.5 Ų82.571%0.70647%0.47SS*.THydrogen-bonded Turntrans-61.7114.5-176.2-70.9-61.9000113.1C179 N180C179-N183 PolarHBondContact O-N 3.06Å; C179-N183 PolarHBondContact O-OD1 2.89Å; N180-N183 PolarHBondContact O-ND2 3.33Å; N180-N183 VanDerWaalsContact O-ND2 3.08Å
184G82.6Confident90.4Very high74 Ų7483.3 Ų83.376%0.76348%0.48SS*.THydrogen-bonded Turntrans98-10.2172.900000115.5F182F182-G184 PolarHBondContact O-N 3.21Å
185D87.2Confident90.5Very high100 Ų10083.5 Ų83.554%0.53550%0.495SS..SBendtrans-84.3156.7-179.8-81.7-42.6000113.5F182 L187 N230F182-D185 PolarHBondContact O-N 3.19Å; D185-L187 HydrophobicContact CB-CD2 4.36Å; D185-L187 PolarHBondContact O-N 3.48Å; D185-N230 PolarHBondContact O-ND2 3.11Å
186T88.9Confident90.9Very high114 Ų11479.4 Ų79.470%0.69948%0.478SS*.  trans-86.8105.8171.9-60.40000109.8L228T186-L228 HydrophobicContact CG2-CD1 3.84Å
187L92.2Very high91.2Very high23 Ų2378.4 Ų78.412%0.1247%0.473CS..  trans-99127.9-167-65.7166.2000113.1I178 F182 D185 I229 N230I178-L187 HydrophobicContact CG2-CD1 4.39Å; F182-L187 HydrophobicContact CB-CD1 3.92Å; F182-L187 HydrophobicContact CB-CD2 3.64Å; F182-L187 HydrophobicContact CB-CG 4.3Å; F182-L187 HydrophobicContact CD2-CD2 4.13Å; F182-L187 HydrophobicContact CG-CD2 3.98Å; D185-L187 HydrophobicContact CB-CD2 4.36Å; D185-L187 PolarHBondContact O-N 3.48Å; L187-I229 HydrophobicContact CB-CB 3.97Å; L187-I229 HydrophobicContact CB-CD1 4.17Å; L187-I229 HydrophobicContact CB-CG1 4.3Å; L187-I229 PolarHBondContact O-N 2.87Å; L187-N230 HydrophobicContact CB-CB 4.38Å; L187-N230 HydrophobicContact CD1-CB 4.39Å
188L91.5Very high91.3Very high107 Ų10779.8 Ų79.856%0.5648%0.48SS*.EExtended strand (participates in β ladder)trans-119.8111.1177.9-62.9176.9000110.6V226 L227 L228L188-V226 HydrophobicContact CB-CG1 4.38Å; L188-V226 HydrophobicContact CD2-CG1 4.37Å; L188-L227 CarbonylContact C-O 3.53Å; L188-L227 WeakPolarHBondContact CA-O 3.46Å; L188-L228 HydrophobicContact CD2-CB 4.21Å; L188-L228 HydrophobicContact CD2-CD1 3.91Å
189A93Very high91.5Very high39 Ų3983 Ų8332%0.32249%0.494SS..EExtended strand (participates in β ladder)trans-80.6127.4167.100000109.8V226 L227 I229A189-V226 CarbonylContact O-C 3.59Å; A189-V226 VanDerWaalsContact O-CA 3.31Å; A189-V226 WeakPolarHBondContact O-CA 3.06Å; A189-L227 HydrophobicContact CB-CB 4.39Å; A189-L227 HydrophobicContact CB-CD1 4.43Å; A189-L227 PolarHBondContact N-O 3.09Å; A189-L227 PolarHBondContact O-N 2.94Å; A189-I229 HydrophobicContact CB-CD1 4.03Å; A189-I229 HydrophobicContact CB-CG1 4.22Å
190I93.9Very high91.8Very high77 Ų7786.2 Ų86.240%0.39551%0.513SS..EExtended strand (participates in β ladder)trans-112.6110.6177.1-60.6161.4000108.1A192 L217 I224 V226I190-A192 HydrophobicContact CG2-CB 4.44Å; I190-L217 HydrophobicContact CD1-CD1 4.01Å; I190-L217 HydrophobicContact CG1-CD1 4.34Å; I190-L217 HydrophobicContact CG2-CD1 3.93Å; I190-I224 HydrophobicContact CG2-CG2 4.07Å; I190-V226 HydrophobicContact CG1-CG1 4.3Å; I190-V226 HydrophobicContact CG1-CG2 4.3Å
191Q94.3Very high91.9Very high133 Ų13384 Ų8462%0.62150%0.504SS*.EExtended strand (participates in β ladder)trans-103.2114.4171.5-175.2-176.132.200108.5H225Q191-H225 HydrophobicContact CB-CB 4.32Å; Q191-H225 PolarHBondContact N-O 3.02Å; Q191-H225 PolarHBondContact O-N 3.5Å
192A95Very high91.9Very high42 Ų4287.3 Ų87.335%0.34751%0.513SS..  trans-136.6150.5-176.300000111.3I190 T196 I224I190-A192 HydrophobicContact CG2-CB 4.44Å; A192-T196 HydrophobicContact CB-CG2 3.87Å; A192-I224 HydrophobicContact CB-CG1 4.16Å; A192-I224 HydrophobicContact CB-CG2 4.08Å
193P96.2Very high91.9Very high39 Ų3984.2 Ų84.225%0.25351%0.505SS..  trans-56.9150.6171.8-26.735.1000112.7T196 S221 P223P193-T196 VanDerWaalsContact O-CB 3.28Å; P193-T196 WeakPolarHBondContact O-CB 3.49Å; P193-T196 PolarHBondContact O-N 3.04Å; P193-T196 VanDerWaalsContact O-N 3.12Å; P193-T196 PolarHBondContact O-OG1 3Å; P193-S221 VanDerWaalsContact CB-OG 3.31Å; P193-S221 WeakPolarHBondContact CB-OG 3.35Å; P193-P223 WeakPolarHBondContact CD-O 3.38Å
194S93.9Very high91.7Very high116 Ų11685.8 Ų85.881%0.81151%0.508SS*.THydrogen-bonded Turntrans-57.7141.6171.550.80000111.2T196 S221S194-T196 VanDerWaalsContact C-N 3.32Å; S194-S221 PolarHBondContact O-OG 3.05Å
195G93.6Very high91.5Very high67 Ų6788.9 Ų88.969%0.69150%0.504SS*.THydrogen-bonded Turntrans80.22.9-171.900000115.4Q197G195-Q197 PolarHBondContact O-N 3.25Å
196T96.1Very high90.9Very high31 Ų3185.7 Ų85.719%0.1950%0.495CS..  trans-60.7127.7168.2-640000110.3A192 P193 S194 S219 I224A192-T196 HydrophobicContact CB-CG2 3.87Å; P193-T196 VanDerWaalsContact O-CB 3.28Å; P193-T196 WeakPolarHBondContact O-CB 3.49Å; P193-T196 PolarHBondContact O-N 3.04Å; P193-T196 VanDerWaalsContact O-N 3.12Å; P193-T196 PolarHBondContact O-OG1 3Å; S194-T196 VanDerWaalsContact C-N 3.32Å; T196-S219 WeakPolarHBondContact OG1-CB 3.32Å; T196-S219 PolarHBondContact OG1-OG 2.7Å; T196-I224 HydrophobicContact CG2-CD1 3.64Å; T196-I224 HydrophobicContact CG2-CG1 4.37Å
197Q95.8Very high90Very high111 Ų11190.6 Ų90.652%0.51951%0.51SS..EExtended strand (participates in β ladder)trans-82.1125.2177.7-64.7172.7-15.700109.5G195 L217 K218G195-Q197 PolarHBondContact O-N 3.25Å; Q197-L217 WeakPolarHBondContact O-CA 3.4Å; Q197-K218 HydrophobicContact CB-CB 4.36Å; Q197-K218 PolarHBondContact N-O 3.24Å; Q197-K218 PolarHBondContact O-N 3.43Å
198L94.9Very high89.1Confident111 Ų11194.9 Ų94.958%0.58153%0.533SS*.EExtended strand (participates in β ladder)trans-112.1121.4170.4-174.7158.8000107.9V200 I215 N216 L217L198-V200 HydrophobicContact CD2-CG2 3.76Å; L198-I215 HydrophobicContact CD2-CG2 4.39Å; L198-I215 HydrophobicContact CG-CG2 4.21Å; L198-N216 WeakPolarHBondContact CA-O 3.23Å; L198-L217 HydrophobicContact CB-CD2 3.94Å; L198-L217 HydrophobicContact CD1-CD2 3.79Å; L198-L217 HydrophobicContact CG-CD2 3.67Å
199E94.8Very high88.5Confident111 Ų11191.6 Ų91.652%0.51953%0.525SS..EExtended strand (participates in β ladder)trans-123.2134.3178.5171.4-167.9-133.700109.3P201 N216E199-P201 HydrophobicContact CG-CG 4.3Å; E199-N216 HydrophobicContact CB-CB 4.19Å; E199-N216 PolarHBondContact N-O 3.27Å; E199-N216 PolarHBondContact O-N 3.04Å; E199-N216 PolarHBondContact OE2-ND2 3.24Å
200V94.1Very high87.8Confident91 Ų9196.1 Ų96.155%0.55254%0.539SS*.  trans-12096.8173.4-175.10000107.7L198 I215L198-V200 HydrophobicContact CD2-CG2 3.76Å; V200-I215 HydrophobicContact CG2-CG1 4.33Å; V200-I215 HydrophobicContact CG2-CG2 4.49Å
201P90.8Very high87.2Confident47 Ų4798.8 Ų98.831%0.30555%0.548SS..  trans-60.1148.6177.7-24.935.9000112E199 P203 Q214E199-P201 HydrophobicContact CG-CG 4.3Å; P201-P203 WeakPolarHBondContact O-CD 3.47Å; P201-Q214 WeakPolarHBondContact CD-O 3.49Å
202I88.5Confident86.7Confident159 Ų15999.1 Ų99.182%0.81555%0.548SS*.  trans-61.7127174.4-65.2165.1000108.4E204I202-E204 PolarHBondContact O-N 3.35Å
203P87.4Confident86.4Confident45 Ų45104.7 Ų104.729%0.29256%0.561SS.*  trans-61.6111.6-174.9-26.535000113.1P201 K211 K212 Y213P201-P203 WeakPolarHBondContact O-CD 3.47Å; P203-K211 HydrophobicContact CB-CB 4.18Å; P203-K212 WeakPolarHBondContact CA-O 3.32Å; P203-K212 WeakPolarHBondContact CB-O 3.49Å; P203-Y213 HydrophobicContact CB-CD1 4.3Å; P203-Y213 HydrophobicContact CB-CE1 4.23Å; P203-Y213 HydrophobicContact CG-CD1 3.48Å; P203-Y213 VanDerWaalsContact CG-CD1 3.48Å; P203-Y213 HydrophobicContact CG-CE1 3.43Å; P203-Y213 VanDerWaalsContact CG-CE1 3.43Å; P203-Y213 HydrophobicContact CG-CG 4.12Å
204E81.3Confident86Confident165 Ų165106.9 Ų106.977%0.77157%0.567SS**  trans-67143.7170-66.9-169.8160.800110.6I202 K212I202-E204 PolarHBondContact O-N 3.35Å; E204-K212 PolarHBondContact O-N 3.14Å; E204-K212 VanDerWaalsContact O-N 3.14Å
205M77.6Confident86Confident138 Ų138106.3 Ų106.368%0.6855%0.554SS**BIsolated β-bridgetrans-88.3110.5174.7-162.9168.2-164.900108.2G209M205-G209 WeakPolarHBondContact CE-O 3.44Å
206G74.4Confident86Confident34 Ų34105.7 Ų105.735%0.35154%0.535SS..  trans-61.2164.8-179.300000112.7N208 G209 Q210G206-N208 PolarHBondContact O-N 3.25Å; G206-G209 PolarHBondContact O-N 3.12Å; G206-Q210 PolarHBondContact N-O 2.84Å
207Q71.5Confident85.9Confident217 Ų217107 Ų107100%1.01454%0.541SS*.THydrogen-bonded Turntrans-57.8-17.9178.8-61.9177.32.100113.5
208N73.4Confident85.9Confident113 Ų113107.5 Ų107.560%0.60454%0.541SS*.THydrogen-bonded Turntrans-100.812.517664.4-14.8000113.7G206 Q210G206-N208 PolarHBondContact O-N 3.25Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact ND2-OE1 2.93Å; N208-Q210 PolarHBondContact O-N 3.32Å; N208-Q210 PolarHBondContact OD1-N 3.34Å
209G77.4Confident85.9Confident38 Ų38103.6 Ų103.639%0.39252%0.523SS..SBendtrans78.1-2.7177.700000115.9M205 G206M205-G209 WeakPolarHBondContact CE-O 3.44Å; G206-G209 PolarHBondContact O-N 3.12Å
210Q78.8Confident85.8Confident134 Ų134104.3 Ų104.363%0.62653%0.526SS*.PPolyproline II helixtrans-79.9134.2179.8-66.8-177.2-41.800111.2G206 N208G206-Q210 PolarHBondContact N-O 2.84Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact ND2-OE1 2.93Å; N208-Q210 PolarHBondContact O-N 3.32Å; N208-Q210 PolarHBondContact OD1-N 3.34Å
211K81.8Confident85.8Confident132 Ų132103.8 Ų103.857%0.57453%0.527SS*.BIsolated β-bridgetrans-77.5120.6171-66.3-176-178.7-178.30109.4P203 Y213P203-K211 HydrophobicContact CB-CB 4.18Å; K211-Y213 HydrophobicContact CB-CD2 4.43Å; K211-Y213 HydrophobicContact CB-CE2 3.7Å
212K84.1Confident85.9Confident141 Ų141103.1 Ų103.161%0.61353%0.528SS*.PPolyproline II helixtrans-93119.6173.2-172.9-170.4172.6-1540109.9P203 E204P203-K212 WeakPolarHBondContact CA-O 3.32Å; P203-K212 WeakPolarHBondContact CB-O 3.49Å; E204-K212 PolarHBondContact O-N 3.14Å; E204-K212 VanDerWaalsContact O-N 3.14Å
213Y88Confident86.2Confident159 Ų159100 Ų10062%0.62452%0.518SS*.PPolyproline II helixtrans-93.1145.7172.7-62.8-100.1000109.6P203 K211P203-Y213 HydrophobicContact CB-CD1 4.3Å; P203-Y213 HydrophobicContact CB-CE1 4.23Å; P203-Y213 HydrophobicContact CG-CD1 3.48Å; P203-Y213 VanDerWaalsContact CG-CD1 3.48Å; P203-Y213 HydrophobicContact CG-CE1 3.43Å; P203-Y213 VanDerWaalsContact CG-CE1 3.43Å; P203-Y213 HydrophobicContact CG-CG 4.12Å; K211-Y213 HydrophobicContact CB-CD2 4.43Å; K211-Y213 HydrophobicContact CB-CE2 3.7Å
214Q89Confident86.6Confident84 Ų84100.2 Ų100.239%0.39352%0.516SS..  trans-148.8146.3-179.9-174.6165.2-40.700109.7P201 N216P201-Q214 WeakPolarHBondContact CD-O 3.49Å; Q214-N216 PolarHBondContact NE2-OD1 3.22Å
215I93.3Very high87.2Confident104 Ų10497.1 Ų97.153%0.53350%0.502SS..  trans-126123.1172.5-55.1177.4000106.6L198 V200 L217L198-I215 HydrophobicContact CD2-CG2 4.39Å; L198-I215 HydrophobicContact CG-CG2 4.21Å; V200-I215 HydrophobicContact CG2-CG1 4.33Å; V200-I215 HydrophobicContact CG2-CG2 4.49Å; I215-L217 HydrophobicContact CG2-CD2 4.22Å; I215-L217 HydrophobicContact CG2-CG 4.35Å
216N93.1Very high88Confident54 Ų5494.4 Ų94.429%0.28949%0.492SS..EExtended strand (participates in β ladder)trans-101.9130.6175.5-65.1-23.4000108.6L198 E199 Q214L198-N216 WeakPolarHBondContact CA-O 3.23Å; E199-N216 HydrophobicContact CB-CB 4.19Å; E199-N216 PolarHBondContact N-O 3.27Å; E199-N216 PolarHBondContact O-N 3.04Å; E199-N216 PolarHBondContact OE2-ND2 3.24Å; Q214-N216 PolarHBondContact NE2-OD1 3.22Å
217L94.9Very high88.8Confident60 Ų6097.4 Ų97.431%0.31450%0.5SS..EExtended strand (participates in β ladder)trans-122.4124.4177.9-62.7174.3000109.3I190 Q197 L198 I215 I224I190-L217 HydrophobicContact CD1-CD1 4.01Å; I190-L217 HydrophobicContact CG1-CD1 4.34Å; I190-L217 HydrophobicContact CG2-CD1 3.93Å; Q197-L217 WeakPolarHBondContact O-CA 3.4Å; L198-L217 HydrophobicContact CB-CD2 3.94Å; L198-L217 HydrophobicContact CD1-CD2 3.79Å; L198-L217 HydrophobicContact CG-CD2 3.67Å; I215-L217 HydrophobicContact CG2-CD2 4.22Å; I215-L217 HydrophobicContact CG2-CG 4.35Å; L217-I224 HydrophobicContact CB-CD1 3.82Å; L217-I224 HydrophobicContact CD1-CG2 4.38Å
218K94.9Very high89.7Confident121 Ų12191.1 Ų91.153%0.52647%0.473SS..EExtended strand (participates in β ladder)trans-137.7105.5-176.7-173.2-174.5-179.8-163.70111.6Q197 H220Q197-K218 HydrophobicContact CB-CB 4.36Å; Q197-K218 PolarHBondContact N-O 3.24Å; Q197-K218 PolarHBondContact O-N 3.43Å; K218-H220 VanDerWaalsContact CE-NE2 3.27Å; K218-H220 WeakPolarHBondContact CE-NE2 3.39Å; K218-H220 PolarHBondContact NZ-NE2 2.89Å
219S95.1Very high90.4Very high28 Ų2887.6 Ų87.620%0.19645%0.454CS..  trans-94.8150.5171.3-175.40000111T196 S221 G222T196-S219 WeakPolarHBondContact OG1-CB 3.32Å; T196-S219 PolarHBondContact OG1-OG 2.7Å; S219-S221 PolarHBondContact OG-N 2.91Å; S219-G222 VanDerWaalsContact CB-O 3.24Å; S219-G222 WeakPolarHBondContact CB-O 3.23Å; S219-G222 PolarHBondContact OG-N 2.89Å; S219-G222 PolarHBondContact OG-O 2.84Å
220H93.6Very high90.4Very high126 Ų12688.5 Ų88.558%0.58345%0.449SS*.SBendtrans-118.9-5.8173-56.984.2000112.1K218K218-H220 VanDerWaalsContact CE-NE2 3.27Å; K218-H220 WeakPolarHBondContact CE-NE2 3.39Å; K218-H220 PolarHBondContact NZ-NE2 2.89Å
221S92.9Very high89.5Confident81 Ų8188.4 Ų88.457%0.56645%0.447SS*.SBendtrans-117.9-8.4-169.743.90000114P193 S194 S219P193-S221 VanDerWaalsContact CB-OG 3.31Å; P193-S221 WeakPolarHBondContact CB-OG 3.35Å; S194-S221 PolarHBondContact O-OG 3.05Å; S219-S221 PolarHBondContact OG-N 2.91Å
222G92.9Very high88.1Confident32 Ų3286.8 Ų86.833%0.3344%0.441SS..SBendtrans173.2179.217700000113.7S219S219-G222 VanDerWaalsContact CB-O 3.24Å; S219-G222 WeakPolarHBondContact CB-O 3.23Å; S219-G222 PolarHBondContact OG-N 2.89Å; S219-G222 PolarHBondContact OG-O 2.84Å
223P95.8Very high86.8Confident93 Ų9386 Ų8660%0.60445%0.454SS*.  trans-66.1159.3175.730.5-36000111.8P193P193-P223 WeakPolarHBondContact CD-O 3.38Å
224I95.9Very high85Confident51 Ų5183.8 Ų83.826%0.26246%0.462SS..  trans-110.7129.6172.1-57.6178.8000107.8I190 A192 T196 L217 V226I190-I224 HydrophobicContact CG2-CG2 4.07Å; A192-I224 HydrophobicContact CB-CG1 4.16Å; A192-I224 HydrophobicContact CB-CG2 4.08Å; T196-I224 HydrophobicContact CG2-CD1 3.64Å; T196-I224 HydrophobicContact CG2-CG1 4.37Å; L217-I224 HydrophobicContact CB-CD1 3.82Å; L217-I224 HydrophobicContact CD1-CG2 4.38Å; I224-V226 HydrophobicContact CG2-CG2 4.16Å
225H93.9Very high83.2Confident100 Ų10083.4 Ų83.446%0.46347%0.468SS..EExtended strand (participates in β ladder)trans-105.5129.8176.6-60.6-84.9000109.2Q191Q191-H225 HydrophobicContact CB-CB 4.32Å; Q191-H225 PolarHBondContact N-O 3.02Å; Q191-H225 PolarHBondContact O-N 3.5Å
226V94.1Very high80.6Confident80 Ų8083.5 Ų83.549%0.48548%0.478SS..EExtended strand (participates in β ladder)trans-125.8124.9177.8-174.10000108.6L188 A189 I190 I224L188-V226 HydrophobicContact CB-CG1 4.38Å; L188-V226 HydrophobicContact CD2-CG1 4.37Å; A189-V226 CarbonylContact O-C 3.59Å; A189-V226 VanDerWaalsContact O-CA 3.31Å; A189-V226 WeakPolarHBondContact O-CA 3.06Å; I190-V226 HydrophobicContact CG1-CG1 4.3Å; I190-V226 HydrophobicContact CG1-CG2 4.3Å; I224-V226 HydrophobicContact CG2-CG2 4.16Å
227L90.7Very high77.8Confident97 Ų9789.8 Ų89.851%0.50850%0.503SS..EExtended strand (participates in β ladder)trans-114.7125.9179.1-56.398.2000110.2L188 A189 I229L188-L227 CarbonylContact C-O 3.53Å; L188-L227 WeakPolarHBondContact CA-O 3.46Å; A189-L227 HydrophobicContact CB-CB 4.39Å; A189-L227 HydrophobicContact CB-CD1 4.43Å; A189-L227 PolarHBondContact N-O 3.09Å; A189-L227 PolarHBondContact O-N 2.94Å; L227-I229 PolarHBondContact O-N 3.38Å
228L90.6Very high75.3Confident85 Ų8592.1 Ų92.145%0.44552%0.521SS..EExtended strand (participates in β ladder)trans-77.6111.4166176.566.1000108.4T186 L188 K231T186-L228 HydrophobicContact CG2-CD1 3.84Å; L188-L228 HydrophobicContact CD2-CB 4.21Å; L188-L228 HydrophobicContact CD2-CD1 3.91Å; L228-K231 HydrophobicContact CD2-CB 3.92Å; L228-K231 HydrophobicContact CD2-CG 4.02Å; L228-K231 HydrophobicContact CG-CB 4.12Å
229I87Confident73Confident39 Ų3991.9 Ų91.920%0.253%0.53CS..SBendtrans-79-62.8-178.2-48.1178.9000109.2I178 L187 A189 L227 K231I178-I229 HydrophobicContact CB-CD1 4.48Å; I178-I229 HydrophobicContact CG2-CD1 3.66Å; L187-I229 HydrophobicContact CB-CB 3.97Å; L187-I229 HydrophobicContact CB-CD1 4.17Å; L187-I229 HydrophobicContact CB-CG1 4.3Å; L187-I229 PolarHBondContact O-N 2.87Å; A189-I229 HydrophobicContact CB-CD1 4.03Å; A189-I229 HydrophobicContact CB-CG1 4.22Å; L227-I229 PolarHBondContact O-N 3.38Å; I229-K231 PolarHBondContact O-N 2.82Å
230N77.2Confident70.7Confident57 Ų5796.5 Ų96.531%0.30556%0.557SS.*SBendtrans-80.866.7-179-166.86.6000111D185 L187 E232D185-N230 PolarHBondContact O-ND2 3.11Å; L187-N230 HydrophobicContact CB-CB 4.38Å; L187-N230 HydrophobicContact CD1-CB 4.39Å; N230-E232 PolarHBondContact O-N 2.97Å
231K60.5Low68.2Low133 Ų13398.4 Ų98.458%0.57856%0.564SS**  trans-80.999.3172.8-174.8-172.7174.2-169.20108.8L228 I229 S233L228-K231 HydrophobicContact CD2-CB 3.92Å; L228-K231 HydrophobicContact CD2-CG 4.02Å; L228-K231 HydrophobicContact CG-CB 4.12Å; I229-K231 PolarHBondContact O-N 2.82Å; K231-S233 PolarHBondContact O-N 2.91Å
232E52.9Low65.9Low97 Ų9799.2 Ų99.245%0.45357%0.567SS.*  trans-37.9127.2-176.8-175.6-91.5113.600113.9N230 S234 S235N230-E232 PolarHBondContact O-N 2.97Å; E232-S234 PolarHBondContact O-N 3.42Å; E232-S234 VanDerWaalsContact OE1-CA 3.25Å; E232-S234 WeakPolarHBondContact OE1-CA 3.37Å; E232-S234 WeakPolarHBondContact OE1-CB 3.49Å; E232-S234 PolarHBondContact OE1-N 3.24Å; E232-S234 PolarHBondContact OE1-OG 2.87Å; E232-S235 PolarHBondContact OE1-N 2.83Å; E232-S235 WeakPolarHBondContact OE2-CA 3.46Å; E232-S235 WeakPolarHBondContact OE2-CB 3.5Å; E232-S235 PolarHBondContact OE2-N 3.43Å; E232-S235 VanDerWaalsContact OE2-N 3.14Å
233S57.4Low63.6Low126 Ų126104.1 Ų104.188%0.88159%0.59SS**THydrogen-bonded Turntrans-71.43.6-158.6-47.10000116.3K231K231-S233 PolarHBondContact O-N 2.91Å
234S50.3Low60.9Low112 Ų112104.9 Ų104.978%0.78360%0.595SS**THydrogen-bonded Turntrans-148.2-7.6-171.767.40000118.1E232E232-S234 PolarHBondContact O-N 3.42Å; E232-S234 VanDerWaalsContact OE1-CA 3.25Å; E232-S234 WeakPolarHBondContact OE1-CA 3.37Å; E232-S234 WeakPolarHBondContact OE1-CB 3.49Å; E232-S234 PolarHBondContact OE1-N 3.24Å; E232-S234 PolarHBondContact OE1-OG 2.87Å
235S49.7Very low58.4Low76 Ų76107 Ų10753%0.53161%0.612SS.*  trans-131.1146.3-176.2-153.20000118.4E232E232-S235 PolarHBondContact OE1-N 2.83Å; E232-S235 WeakPolarHBondContact OE2-CA 3.46Å; E232-S235 WeakPolarHBondContact OE2-CB 3.5Å; E232-S235 PolarHBondContact OE2-N 3.43Å; E232-S235 VanDerWaalsContact OE2-N 3.14Å
236S38.8Very low56.2Low105 Ų105108.2 Ų108.273%0.73463%0.629SS**  trans65.7137170.777.80000118.5
237K35.7Very low54Low187 Ų187112.7 Ų112.781%0.81365%0.65SS**  trans-83.1147.2170.2-67176-179.2175.60109.1V239K237-V239 PolarHBondContact O-N 3.13Å
238P40.7Very low51.8Low108 Ų108114.3 Ų114.370%0.70166%0.659SS**  trans-63.6120.3178.426.8-34.2000110.8V240P238-V240 PolarHBondContact O-N 3.45Å
239V46.6Very low49.4Very low116 Ų116118.6 Ų118.670%0.70368%0.682SS**  trans-87.7104.1171.3-178.70000108.1K237 F241K237-V239 PolarHBondContact O-N 3.13Å; V239-F241 HydrophobicContact CG1-CD2 3.78Å; V239-F241 HydrophobicContact CG1-CE2 3.64Å; V239-F241 PolarHBondContact O-N 2.99Å
240V47Very low46.8Very low126 Ų126122.6 Ų122.676%0.76471%0.708SS**  trans-79.3111.9171.3179.10000108.3P238 P242P238-V240 PolarHBondContact O-N 3.45Å; V240-P242 WeakPolarHBondContact O-CD 3.42Å
241F41.8Very low44.6Very low165 Ų165129.1 Ų129.172%0.72474%0.737SS**PPolyproline II helixtrans-91.7116.9165.1-90.4-82.9000109.7V239V239-F241 HydrophobicContact CG1-CD2 3.78Å; V239-F241 HydrophobicContact CG1-CE2 3.64Å; V239-F241 PolarHBondContact O-N 2.99Å
242P45.1Very low43.4Very low98 Ų98128.4 Ų128.464%0.63675%0.746SS**PPolyproline II helixtrans-63.8134.4159.5-15.430.6000109.3V240 P244V240-P242 WeakPolarHBondContact O-CD 3.42Å; P242-P244 CarbonylContact O-C 3.58Å
243V43.2Very low42.3Very low135 Ų135129.2 Ų129.282%0.81876%0.762SS**SBendtrans-102.6127.1165.1-179.50000106.5
244P39.7Very low40.9Very low110 Ų110128.9 Ų128.971%0.71476%0.76SS**SBendcis-84.9156.87.1-6.526000114.4P242P242-P244 CarbonylContact O-C 3.58Å
245P43.9Very low40Very low95 Ų95132.3 Ų132.362%0.61776%0.764SS**PPolyproline II helixtrans-74.4152.8170.632.7-35.4000112.2
246P47.8Very low38.8Very low126 Ų126133.5 Ų133.582%0.81877%0.772SS**PPolyproline II helixtrans-79.1145.9170.9-11.928.9000113.4D248P246-D248 PolarHBondContact O-N 2.93Å; P246-D248 VanDerWaalsContact O-N 3.1Å
247D46.8Very low38.2Very low174 Ų174136.4 Ų136.493%0.9378%0.778SS**SBendtrans-79.874.8175.9-67.3-60.8000113.3
248D45.7Very low37.6Very low130 Ų130133.5 Ų133.570%0.69578%0.777SS**  trans-154.393.5157.2-159.8-2.8000114.2P246P246-D248 PolarHBondContact O-N 2.93Å; P246-D248 VanDerWaalsContact O-N 3.1Å
249L38.8Very low37.6Very low176 Ų176133.8 Ų133.892%0.92178%0.778SS**  trans-145.955.4164.9-82-174.3000111.4
250T33.1Very low36.6Very low122 Ų122135.2 Ų135.275%0.74879%0.787SS**  trans-122.653.7174.155.30000114.7
251Q31.7Very low35.5Very low194 Ų194135.4 Ų135.491%0.90779%0.788SS**  trans-160.4146.1152.4-118.5159.98400114.4
252P34.3Very low35.2Very low118 Ų118132.6 Ų132.677%0.76679%0.787SS**  trans-104.4146.9-179.237.3-32.5000115.4
253S29.7Very low34.3Very low114 Ų114136.8 Ų136.880%0.79780%0.798SS**  trans72.2120.8152.8-161.70000120.3
254S28.1Very low33.4Very low120 Ų120139.9 Ų139.984%0.83980%0.8SS**  -167.8155.7123.8-84.60000113.6
255Q31.2Very low32.6Very low184 Ų184139.8 Ų139.886%0.8680%0.802SS**  trans-66.2164-172-58162600112.6
256S24.8Very low31.6Very low100 Ų100140 Ų14070%0.69981%0.806SS**  17615360.557.30000116.4
257L26.4Very low30.6Very low166 Ų166141.8 Ų141.887%0.86981%0.806SS**  trans67.6162.8145.1-66.2170.2000123.2
258T24.1Very low29.6Very low127 Ų127137.1 Ų137.178%0.77979%0.791SS**  trans-129.1-166.1-16754.10000110.7
259P39.1Very low28.6Very low113 Ų113136.6 Ų136.673%0.73479%0.793SS**  cis-129.9162.7-42.731.2-14.5000114.1
260V26.1Very low27.9Very low146 Ų146135.5 Ų135.589%0.88578%0.783SS**  trans-148.1137.7159.6-171.20000113.8
261T25.2Very low27.5Very low130 Ų130136 Ų13680%0.79878%0.781SS**  trans-147.1140.3165.9-42.40000105.2
262P35.3Very low27.1Very low107 Ų107134.1 Ų134.170%0.69578%0.776SS**  -162.7-162.677.939.1-13000118
263Q25.2Very low27.1Very low185 Ų185133.3 Ų133.386%0.86477%0.771SS**  trans81.4134.4168.5-52.1-174.4-50.900117.1
264K24.4Very low26.9Very low200 Ų200136.1 Ų136.187%0.8777%0.772SS**  cis102.2102.94.4-163.5-172.7175.3-178.40118.5
265S23.4Very low26.8Very low108 Ų108140 Ų14076%0.75578%0.777SS**  trans-157.7145153.749.60000107.1
266S22.5Very low26.5Very low100 Ų100139.1 Ų139.170%0.69977%0.772SS**  cis76.6129.823.4-128.70000113.6
267M26.2Very low26.5Very low164 Ų164141.1 Ų141.181%0.80878%0.78SS**  cis-166.6158.36.2-148.5176.28200111.4
268A26Very low26.4Very low76 Ų76138 Ų13863%0.62877%0.771SS**  trans65.7164.615200000117.5
269T25.5Very low26.4Very low119 Ų119140.9 Ų140.973%0.7378%0.776SS**  cis-168.1169.2-4.26.10000108
270E24.3Very low25.8Very low153 Ų153146.2 Ų146.272%0.71578%0.782SS**  cis-164.4172.7-10.2-147.9170.411200110.5
271N24.1Very low25.8Very low131 Ų131144.7 Ų144.770%0.70178%0.778SS**  trans81160150.4-81.1-51.7000125.2
272L22.8Very low26Very low155 Ų155147 Ų14781%0.81278%0.779SS**  trans-114.3-170.8-165.3-114.875.4000111
273P35.6Very low25.5Very low101 Ų101148.2 Ų148.266%0.65679%0.785SS**  cis-139170.917.241.6-21.8000119.1
274E24.6Very low25.5Very low173 Ų173147.5 Ų147.581%0.80879%0.786SS**  trans35.7128.8144.8-64.2178.4109.600123.4
275Q25.9Very low25.7Very low203 Ų203146.3 Ų146.395%0.94978%0.784SS**  -155.3165.2108.3-112.7-179.214.400112.6
276H25.4Very low25.8Very low165 Ų165149.8 Ų149.876%0.76479%0.788SS**  trans-140.2119.2-159177.7-72.6000112.2
277V24.1Very low26Very low142 Ų142151.5 Ų151.586%0.86180%0.795SS**  trans-136.6143.9169.6-174.90000108.7
278S24.3Very low26Very low99 Ų99148.6 Ų148.669%0.69279%0.79SS**  trans-142.8122-173.3176.40000110.9
279E25.2Very low26.1Very low189 Ų189149.8 Ų149.888%0.88380%0.8SS**  trans-132.193171.4-72.1-152.1110.700112.9
280R25.6Very low26.4Very low225 Ų225150.3 Ų150.385%0.84980%0.803SS**  trans-12.8119.4147.7-176.2-165.5-150.7-172.66.9117.8
281S25.8Very low26.7Very low114 Ų114151.6 Ų151.680%0.79781%0.809SS**  trans-142.899.7147.6-80.40000108.5
282Q29.8Very low27.2Very low178 Ų178153 Ų15383%0.83282%0.815SS**  68.698.998.7-70.3-157.624.100114.4
283T24.2Very low27.6Very low132 Ų132151.2 Ų151.281%0.8182%0.816SS**  trans-71.2133.6172.9-46.10000111.5
284L27Very low27.3Very low171 Ų171151.6 Ų151.690%0.89582%0.821SS**  trans-124.1155.2155.4-101165.3000109.5
285Q27.4Very low28.1Very low174 Ų174148.3 Ų148.381%0.81382%0.823SS**PPolyproline II helixtrans-97140.6-149.6-71.2174.3-13.800114.5T287Q285-T287 PolarHBondContact O-N 3.39Å
286Q25.9Very low28.6Very low182 Ų182141.4 Ų141.485%0.8581%0.806SS**PPolyproline II helixtrans-61.7118.7168.5176.5178.543.400110.6
287T26.8Very low29.5Very low136 Ų136140 Ų14083%0.83482%0.815SS**PPolyproline II helixtrans-99.8122.2164.543.20000109.2Q285Q285-T287 PolarHBondContact O-N 3.39Å
288S25.1Very low30.5Very low103 Ų103138.9 Ų138.972%0.7280%0.803SS**PPolyproline II helixtrans-76.4132.3-176.1-53.80000111.6T290S288-T290 PolarHBondContact O-N 3.42Å
289A29Very low31.8Very low101 Ų101139.6 Ų139.684%0.83581%0.808SS**PPolyproline II helixtrans-72.4122163.400000109.3
290T30.9Very low32.7Very low130 Ų130132.5 Ų132.580%0.79879%0.785SS**PPolyproline II helixtrans-69.9134.7179.3-52.20000110.9S288S288-T290 PolarHBondContact O-N 3.42Å
291E32.3Very low33.8Very low179 Ų179128.5 Ų128.584%0.83678%0.781SS**PPolyproline II helixtrans-62.5134.4174.1-58.1179.9129.600111.6
292I34.3Very low35.3Very low162 Ų162127.3 Ų127.383%0.83177%0.765SS**  trans-13177163.4-43.9-179.1000109.3S294I292-S294 PolarHBondContact O-N 3.03Å
293S29.8Very low36.7Very low117 Ų117123.9 Ų123.982%0.81875%0.751SS**  trans-87.2101.5172.1-71.70000110.8
294S30.1Very low38.1Very low108 Ų108123.1 Ų123.176%0.75574%0.742SS**  trans-154.7133160.5-168.70000111.1I292I292-S294 PolarHBondContact O-N 3.03Å
295A40.5Very low39.3Very low104 Ų104121.5 Ų121.586%0.8673%0.73SS**  trans-99126.4178.700000111
296G36.7Very low40.5Very low58 Ų58117 Ų11760%0.59871%0.711SS**SBendtrans169.9115.1172.100000112.9I298G296-I298 WeakPolarHBondContact O-CG1 3.13Å
297S44.7Very low41.7Very low135 Ų135115.8 Ų115.894%0.94471%0.707SS**  trans26.388.7166.5-60.40000118
298I45.9Very low43Very low120 Ų120114 Ų11462%0.61570%0.7SS**  trans-12486.5175-46177000109.3G296 I302G296-I298 WeakPolarHBondContact O-CG1 3.13Å; I298-I302 HydrophobicContact CG2-CD1 3.41Å; I298-I302 VanDerWaalsContact CG2-CD1 3.41Å; I298-I302 HydrophobicContact CG2-CG1 4.25Å
299S50.1Low43.9Very low114 Ų114111.9 Ų111.980%0.79769%0.685SS**SBendtrans-157.56.9-179.5-61.10000116.4
300G45.3Very low44.7Very low39 Ų39115.3 Ų115.340%0.40269%0.689SS.*SBendtrans-120.7-84.9176.800000110.6I302 I303G300-I302 VanDerWaalsContact C-N 3.29Å; G300-I302 PolarHBondContact O-N 2.98Å; G300-I303 WeakPolarHBondContact O-CB 3.36Å; G300-I303 PolarHBondContact O-N 2.95Å
301D48.8Very low45.6Very low141 Ų141112.9 Ų112.975%0.75467%0.674SS**Hα-helixtrans-48.4-39.9-166-42.7-24.7000115.1I303 D304 E305D301-I303 VanDerWaalsContact C-N 3.26Å; D301-I303 PolarHBondContact O-N 3.19Å; D301-D304 PolarHBondContact O-N 3.01Å; D301-E305 WeakPolarHBondContact O-CB 3.18Å; D301-E305 PolarHBondContact O-N 3.28Å
302I57.1Low46.5Very low90 Ų90110.6 Ų110.646%0.46266%0.662SS.*Hα-helixtrans-61.7-31.5178.6-61.4-171.5000112.5I298 G300 L306I298-I302 HydrophobicContact CG2-CD1 3.41Å; I298-I302 VanDerWaalsContact CG2-CD1 3.41Å; I298-I302 HydrophobicContact CG2-CG1 4.25Å; G300-I302 VanDerWaalsContact C-N 3.29Å; G300-I302 PolarHBondContact O-N 2.98Å; I302-L306 HydrophobicContact CG2-CD1 3.96Å; I302-L306 WeakPolarHBondContact O-CB 3.34Å; I302-L306 WeakPolarHBondContact O-CD1 3.48Å; I302-L306 PolarHBondContact O-N 3.41Å
303I58.4Low47.3Very low106 Ų106106.4 Ų106.454%0.54465%0.645SS.*Hα-helixtrans-73.1-44.9179.6-57.9177000109.8G300 D301 E305 L306 M307G300-I303 WeakPolarHBondContact O-CB 3.36Å; G300-I303 PolarHBondContact O-N 2.95Å; D301-I303 VanDerWaalsContact C-N 3.26Å; D301-I303 PolarHBondContact O-N 3.19Å; I303-E305 VanDerWaalsContact C-N 3.3Å; I303-E305 PolarHBondContact O-N 3.36Å; I303-L306 PolarHBondContact O-N 2.95Å; I303-M307 WeakPolarHBondContact O-CB 3.19Å; I303-M307 WeakPolarHBondContact O-CG 3.39Å; I303-M307 PolarHBondContact O-N 3.47Å
304D54Low48.3Very low115 Ų115106.2 Ų106.262%0.61564%0.635SS**Hα-helixtrans-66.7-33175.7-75.2-20.6000111.4D301 M307 S308D301-D304 PolarHBondContact O-N 3.01Å; D304-M307 PolarHBondContact O-N 3.08Å; D304-S308 VanDerWaalsContact O-CB 3.25Å; D304-S308 WeakPolarHBondContact O-CB 3.08Å; D304-S308 PolarHBondContact O-N 2.87Å; D304-S308 PolarHBondContact O-OG 3.12Å
305E53.1Low49.3Very low137 Ų137106.4 Ų106.464%0.6463%0.627SS**Hα-helixtrans-66.6-47.1173.9-168.8168.7-161.100111.9D301 I303 M307 S308 S309D301-E305 WeakPolarHBondContact O-CB 3.18Å; D301-E305 PolarHBondContact O-N 3.28Å; I303-E305 VanDerWaalsContact C-N 3.3Å; I303-E305 PolarHBondContact O-N 3.36Å; E305-M307 VanDerWaalsContact C-N 3.26Å; E305-M307 PolarHBondContact O-N 3.22Å; E305-S308 PolarHBondContact O-N 3.43Å; E305-S309 PolarHBondContact O-N 3.41Å
306L52.3Low50Low80 Ų80104.4 Ų104.442%0.41960%0.597SS.*Hα-helixtrans-62-30.2173.7-102.766.4000113.5I302 I303 S308 S309 P313I302-L306 HydrophobicContact CG2-CD1 3.96Å; I302-L306 WeakPolarHBondContact O-CB 3.34Å; I302-L306 WeakPolarHBondContact O-CD1 3.48Å; I302-L306 PolarHBondContact O-N 3.41Å; I303-L306 PolarHBondContact O-N 2.95Å; L306-S308 VanDerWaalsContact C-N 3.34Å; L306-S309 PolarHBondContact O-OG 3.27Å; L306-P313 HydrophobicContact CB-CG 4.49Å; L306-P313 HydrophobicContact CD2-CB 3.71Å; L306-P313 HydrophobicContact CD2-CG 3.89Å; L306-P313 HydrophobicContact CG-CB 3.9Å; L306-P313 HydrophobicContact CG-CG 4.07Å
307M51.4Low50.9Low157 Ų157107.3 Ų107.377%0.77360%0.598SS**THydrogen-bonded Turntrans-85.8-6.2176.2-65.4-68-65.800113I303 D304 E305I303-M307 WeakPolarHBondContact O-CB 3.19Å; I303-M307 WeakPolarHBondContact O-CG 3.39Å; I303-M307 PolarHBondContact O-N 3.47Å; D304-M307 PolarHBondContact O-N 3.08Å; E305-M307 VanDerWaalsContact C-N 3.26Å; E305-M307 PolarHBondContact O-N 3.22Å
308S53.2Low51.1Low99 Ų99101.4 Ų101.469%0.69256%0.557SS**THydrogen-bonded Turntrans-106.7-9178.4-60.50000113.7D304 E305 L306D304-S308 VanDerWaalsContact O-CB 3.25Å; D304-S308 WeakPolarHBondContact O-CB 3.08Å; D304-S308 PolarHBondContact O-N 2.87Å; D304-S308 PolarHBondContact O-OG 3.12Å; E305-S308 PolarHBondContact O-N 3.43Å; L306-S308 VanDerWaalsContact C-N 3.34Å
309S44.2Very low51.3Low57 Ų5798.8 Ų98.840%0.39955%0.548SS..  trans-87.7126.317456.30000111.7E305 L306 V311E305-S309 PolarHBondContact O-N 3.41Å; L306-S309 PolarHBondContact O-OG 3.27Å; S309-V311 PolarHBondContact O-N 3.31Å; S309-V311 PolarHBondContact OG-O 2.98Å
310D46.5Very low51.4Low173 Ų17395.4 Ų95.493%0.92552%0.522SS*.SBendtrans-63.2-4.3173.2-64.3-58.3000114
311V49.6Very low51.7Low79 Ų7999.1 Ų99.148%0.47954%0.539SS..SBendtrans-98.6117.8174.6-179.50000109.2S309S309-V311 PolarHBondContact O-N 3.31Å; S309-V311 PolarHBondContact OG-O 2.98Å
312F50.7Low51.9Low131 Ų13196.4 Ų96.458%0.57554%0.536SS*.  trans-63.5128.7179.3-111.5-97.1000111.7L314F312-L314 PolarHBondContact O-N 2.93Å; F312-L314 VanDerWaalsContact O-N 3.08Å
313P50.2Low51.5Low75 Ų7597 Ų9749%0.48754%0.54SS..SBendtrans-74.12.3-177.829.6-36000114.5L306L306-P313 HydrophobicContact CB-CG 4.49Å; L306-P313 HydrophobicContact CD2-CB 3.71Å; L306-P313 HydrophobicContact CD2-CG 3.89Å; L306-P313 HydrophobicContact CG-CB 3.9Å; L306-P313 HydrophobicContact CG-CG 4.07Å
314L51.3Low51Low113 Ų11399.7 Ų99.759%0.59256%0.556SS**SBendtrans-122.599.8-179.9-64.4178.5000110L154 F312 R316L154-L314 HydrophobicContact CD1-CD1 4.46Å; L154-L314 HydrophobicContact CD2-CD1 4.29Å; F312-L314 PolarHBondContact O-N 2.93Å; F312-L314 VanDerWaalsContact O-N 3.08Å; L314-R316 PolarHBondContact O-N 3.22Å
315L51.3Low51.1Low112 Ų11299 Ų9959%0.58655%0.545SS*.  trans-63.5121.4-178.8-177.862.1000111.7L317 V341L315-L317 HydrophobicContact CD2-CD2 3.72Å; L315-L317 HydrophobicContact CD2-CG 4.41Å; L315-L317 HydrophobicContact CG-CD2 3.91Å; L315-L317 HydrophobicContact CG-CG 4.3Å; L315-L317 PolarHBondContact O-N 3.49Å; L315-V341 HydrophobicContact CD1-CG2 3.64Å
316R54.8Low51Low61 Ų6199.1 Ų99.123%0.2355%0.55CS.*  trans-79.277.5-176.9-167.9-162.9-177.8117.611.2112W153 L314 S318 F339W153-R316 VanDerWaalsContact CD2-NH1 3.33Å; L314-R316 PolarHBondContact O-N 3.22Å; R316-S318 PolarHBondContact NE-O 3.33Å; R316-S318 VanDerWaalsContact NE-O 3.13Å; R316-S318 PolarHBondContact O-N 3.13Å; R316-F339 WeakPolarHBondContact O-CD1 3.32Å
317L55.4Low51.2Low119 Ų119101.2 Ų101.262%0.62356%0.556SS**  trans-68.63.7179.1-63.1177.9000115.7L315L315-L317 HydrophobicContact CD2-CD2 3.72Å; L315-L317 HydrophobicContact CD2-CG 4.41Å; L315-L317 HydrophobicContact CG-CD2 3.91Å; L315-L317 HydrophobicContact CG-CG 4.3Å; L315-L317 PolarHBondContact O-N 3.49Å
318S50.3Low51.3Low12 Ų12100.4 Ų100.48%0.08456%0.555CS.*SBendtrans-131.2133.3-177.671.50000113.1R316R316-S318 PolarHBondContact NE-O 3.33Å; R316-S318 VanDerWaalsContact NE-O 3.13Å; R316-S318 PolarHBondContact O-N 3.13Å
319P50.3Low51.6Low65 Ų6599.8 Ų99.842%0.42254%0.544SS..  trans-39.5149.7176.4-38.639.4000117.9Y325P319-Y325 WeakPolarHBondContact CA-OH 3.36Å; P319-Y325 HydrophobicContact CB-CE2 3.64Å; P319-Y325 WeakPolarHBondContact CB-OH 3.39Å; P319-Y325 HydrophobicContact CG-CE1 4.31Å; P319-Y325 HydrophobicContact CG-CE2 4.14Å
320T51.3Low52.4Low43 Ų43101.9 Ų101.926%0.26455%0.55SS.*  trans-69.1127159.8340000109.9A322T320-A322 PolarHBondContact O-N 3.19Å
321P51.9Low53.4Low117 Ų117101.7 Ų101.776%0.7655%0.549SS*.THydrogen-bonded Turntrans-72.917.2176.2-19.733.8000115.2
322A52.6Low54.2Low83 Ų83105 Ų10569%0.68656%0.564SS**THydrogen-bonded Turntrans-102.4-29-167.700000113.7T320T320-A322 PolarHBondContact O-N 3.19Å
323D48.3Very low54.8Low102 Ų102103.7 Ų103.755%0.54556%0.56SS.*SBendtrans-122.7132.9-168.4-57.6-77.3000110.9Y325D323-Y325 WeakPolarHBondContact O-CD2 3.47Å; D323-Y325 PolarHBondContact O-N 2.98Å
324D48.9Very low55.4Low163 Ų163101.5 Ų101.587%0.87255%0.551SS**  trans-68.1115.5176.5-80.7-47.5000110.2N326D324-N326 PolarHBondContact O-N 3.33Å
325Y54.9Low55.8Low102 Ų102101.1 Ų101.140%0.455%0.553SS.*  trans-65.396.1-175.1-94.6-109.3000112.5P319 D323 F327 L338P319-Y325 WeakPolarHBondContact CA-OH 3.36Å; P319-Y325 HydrophobicContact CB-CE2 3.64Å; P319-Y325 WeakPolarHBondContact CB-OH 3.39Å; P319-Y325 HydrophobicContact CG-CE1 4.31Å; P319-Y325 HydrophobicContact CG-CE2 4.14Å; D323-Y325 WeakPolarHBondContact O-CD2 3.47Å; D323-Y325 PolarHBondContact O-N 2.98Å; Y325-F327 AromaticContact CD1-CD2 3.64Å; Y325-F327 HydrophobicContact CD1-CD2 3.64Å; Y325-F327 AromaticContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD2-CE2 4.16Å; Y325-F327 AromaticContact CE1-CD2 3.93Å; Y325-F327 HydrophobicContact CE1-CD2 3.93Å; Y325-F327 AromaticContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE2-CE2 4.15Å; Y325-F327 HydrophobicContact CG-CD2 4.1Å; Y325-F327 AromaticContact CG-CE2 3.92Å; Y325-F327 HydrophobicContact CG-CE2 3.92Å; Y325-F327 AromaticContact CZ-CE2 3.92Å; Y325-L338 HydrophobicContact CE1-CD1 4.13Å; Y325-L338 HydrophobicContact CE1-CG 4.44Å
326N52.7Low56Low139 Ų13998.4 Ų98.474%0.74354%0.543SS*.  trans-136.543.5174.6-156.117.8000111.5D324 N328D324-N326 PolarHBondContact O-N 3.33Å; N326-N328 PolarHBondContact O-ND2 3.49Å
327F55.7Low56.4Low124 Ų124100 Ų10054%0.54456%0.556SS.*  trans-70.3128.9179-65.5-89.6000111.1Y325 L338Y325-F327 AromaticContact CD1-CD2 3.64Å; Y325-F327 HydrophobicContact CD1-CD2 3.64Å; Y325-F327 AromaticContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD1-CE2 3.68Å; Y325-F327 HydrophobicContact CD2-CE2 4.16Å; Y325-F327 AromaticContact CE1-CD2 3.93Å; Y325-F327 HydrophobicContact CE1-CD2 3.93Å; Y325-F327 AromaticContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE1-CE2 3.68Å; Y325-F327 HydrophobicContact CE2-CE2 4.15Å; Y325-F327 HydrophobicContact CG-CD2 4.1Å; Y325-F327 AromaticContact CG-CE2 3.92Å; Y325-F327 HydrophobicContact CG-CE2 3.92Å; Y325-F327 AromaticContact CZ-CE2 3.92Å; F327-L338 HydrophobicContact CB-CD1 4.13Å; F327-L338 HydrophobicContact CD1-CD1 3.93Å; F327-L338 HydrophobicContact CD2-CD1 3.72Å; F327-L338 HydrophobicContact CE1-CD1 4.27Å; F327-L338 HydrophobicContact CE2-CD1 4.08Å; F327-L338 HydrophobicContact CG-CD1 3.64Å; F327-L338 HydrophobicContact CZ-CD1 4.34Å
328N54Low56.6Low139 Ų13996.8 Ų96.874%0.74354%0.539SS*.  trans-113.3116.2163-64.6-102.9000105N326N326-N328 PolarHBondContact O-ND2 3.49Å
329L58.3Low57.1Low87 Ų8799.1 Ų99.146%0.45555%0.548SS..  trans-75.7138174.7-64.3169.3000109E333L329-E333 WeakPolarHBondContact CA-OE2 3.18Å; L329-E333 HydrophobicContact CB-CB 4.18Å; L329-E333 HydrophobicContact CD2-CB 3.88Å
330D61.3Low57.3Low101 Ų101102.9 Ų102.954%0.5457%0.565SS.*  trans-71.9164.3167.8-156.2-52.4000110.1N332 E333D330-N332 PolarHBondContact O-N 3.19Å; D330-N332 PolarHBondContact OD1-ND2 3Å; D330-E333 HydrophobicContact CB-CG 4.24Å; D330-E333 PolarHBondContact N-OE2 3.37Å; D330-E333 PolarHBondContact O-N 3.34Å
331D67.7Low57.4Low168 Ų168103.2 Ų103.290%0.89857%0.567SS**THydrogen-bonded Turntrans-60.9-3.6-179.7-79.8-30000113.7
332N65.9Low57.1Low149 Ų149105.3 Ų105.380%0.79757%0.566SS**THydrogen-bonded Turntrans-116.2-3.4-176.9-56-89.8000113.4D330D330-N332 PolarHBondContact O-N 3.19Å; D330-N332 PolarHBondContact OD1-ND2 3Å
333E63.1Low56.9Low103 Ų103106.1 Ų106.148%0.48156%0.558SS.*  trans-103.6143.8-174.9-64.3177.6147.700111.7L329 D330L329-E333 WeakPolarHBondContact CA-OE2 3.18Å; L329-E333 HydrophobicContact CB-CB 4.18Å; L329-E333 HydrophobicContact CD2-CB 3.88Å; D330-E333 HydrophobicContact CB-CG 4.24Å; D330-E333 PolarHBondContact N-OE2 3.37Å; D330-E333 PolarHBondContact O-N 3.34Å
334G64.1Low56.6Low30 Ų30106.7 Ų106.731%0.30956%0.56SS.*  trans-110.3169.6-176.700000113.8C336 D337G334-C336 PolarHBondContact O-N 3.44Å; G334-C336 VanDerWaalsContact O-N 3.11Å; G334-D337 WeakPolarHBondContact CA-OD2 3.39Å; G334-D337 PolarHBondContact N-OD2 3.47Å; G334-D337 PolarHBondContact O-N 3.35Å; G334-D337 VanDerWaalsContact O-N 3.15Å
335V59.8Low56.1Low104 Ų104106.1 Ų106.163%0.6356%0.557SS**THydrogen-bonded Turntrans-60.2-22.9175.5179.10000112.2L338 F339V335-L338 WeakPolarHBondContact O-CB 3.44Å; V335-F339 HydrophobicContact CG1-CE2 4.16Å; V335-F339 VanDerWaalsContact O-CD2 3.24Å; V335-F339 WeakPolarHBondContact O-CD2 3.33Å
336C55.9Low55.2Low55 Ų55115 Ų11537%0.37259%0.592SS.*THydrogen-bonded Turntrans-72-30.7179-58.30000113.2G334 L338 F339 V341 I343G334-C336 PolarHBondContact O-N 3.44Å; G334-C336 VanDerWaalsContact O-N 3.11Å; C336-L338 PolarHBondContact O-N 3.02Å; C336-F339 PolarHBondContact O-N 2.79Å; C336-F339 VanDerWaalsContact O-N 3.17Å; C336-V341 HydrophobicContact CB-CB 4.24Å; C336-V341 PolarHBondContact O-N 3.11Å; C336-I343 HydrophobicContact CB-CD1 3.83Å
337D62Low55.4Low94 Ų94113.8 Ų113.850%0.50358%0.584SS.*G310 helixtrans-69.6-21.3179.7-54.7-65.8000111.6G334 F339G334-D337 WeakPolarHBondContact CA-OD2 3.39Å; G334-D337 PolarHBondContact N-OD2 3.47Å; G334-D337 PolarHBondContact O-N 3.35Å; G334-D337 VanDerWaalsContact O-N 3.15Å; D337-F339 PolarHBondContact O-N 2.73Å
338L60.5Low55.3Low52 Ų52113.2 Ų113.227%0.27259%0.586SS.*G310 helixtrans-71.9-6.1173.9-164.264.3000113.9Y325 F327 V335 C336Y325-L338 HydrophobicContact CE1-CD1 4.13Å; Y325-L338 HydrophobicContact CE1-CG 4.44Å; F327-L338 HydrophobicContact CB-CD1 4.13Å; F327-L338 HydrophobicContact CD1-CD1 3.93Å; F327-L338 HydrophobicContact CD2-CD1 3.72Å; F327-L338 HydrophobicContact CE1-CD1 4.27Å; F327-L338 HydrophobicContact CE2-CD1 4.08Å; F327-L338 HydrophobicContact CG-CD1 3.64Å; F327-L338 HydrophobicContact CZ-CD1 4.34Å; V335-L338 WeakPolarHBondContact O-CB 3.44Å; C336-L338 PolarHBondContact O-N 3.02Å
339F59.3Low55.4Low61 Ų61111.8 Ų111.827%0.26858%0.578SS.*G310 helixtrans-130.622.4-175.7-60-80.1000113.5R316 V335 C336 D337 V341R316-F339 WeakPolarHBondContact O-CD1 3.32Å; V335-F339 HydrophobicContact CG1-CE2 4.16Å; V335-F339 VanDerWaalsContact O-CD2 3.24Å; V335-F339 WeakPolarHBondContact O-CD2 3.33Å; C336-F339 PolarHBondContact O-N 2.79Å; C336-F339 VanDerWaalsContact O-N 3.17Å; D337-F339 PolarHBondContact O-N 2.73Å; F339-V341 HydrophobicContact CB-CG2 3.97Å; F339-V341 PolarHBondContact O-N 3.01Å; F339-V341 VanDerWaalsContact O-N 3.16Å
340D55.6Low55.3Low145 Ų145113.2 Ų113.278%0.77559%0.585SS**THydrogen-bonded Turntrans55.526.2-178.3-64.1-51.1000114.6Q342D340-Q342 PolarHBondContact O-N 3.37Å; D340-Q342 VanDerWaalsContact O-N 3.12Å
341V52.1Low54.9Low50 Ų50114 Ų11430%0.30359%0.588SS.*  trans-81.297.2-175.8-175.10000110.5L315 C336 F339 I343L315-V341 HydrophobicContact CD1-CG2 3.64Å; C336-V341 HydrophobicContact CB-CB 4.24Å; C336-V341 PolarHBondContact O-N 3.11Å; F339-V341 HydrophobicContact CB-CG2 3.97Å; F339-V341 PolarHBondContact O-N 3.01Å; F339-V341 VanDerWaalsContact O-N 3.16Å; V341-I343 VanDerWaalsContact C-N 3.35Å; V341-I343 HydrophobicContact CG1-CG1 4Å; V341-I343 PolarHBondContact O-N 3.29Å
342Q46.9Very low54Low160 Ų160110.4 Ų110.475%0.74857%0.567SS**  trans-66.890.6169.2-66.6-172.121.100110.9D340 L344D340-Q342 PolarHBondContact O-N 3.37Å; D340-Q342 VanDerWaalsContact O-N 3.12Å; Q342-L344 PolarHBondContact O-N 3.27Å
343I47.3Very low53.2Low100 Ų100107.6 Ų107.651%0.51355%0.551SS.*  trans-71.597.1170.9-58-179.1000108.5C336 V341 N345C336-I343 HydrophobicContact CB-CD1 3.83Å; V341-I343 VanDerWaalsContact C-N 3.35Å; V341-I343 HydrophobicContact CG1-CG1 4Å; V341-I343 PolarHBondContact O-N 3.29Å; I343-N345 VanDerWaalsContact C-N 3.34Å; I343-N345 PolarHBondContact O-N 2.96Å
344L42.3Very low52.4Low114 Ų114108 Ų10860%0.59756%0.556SS**  trans-66.393.2166.7-71.5172.6000109.4Q342 Y346Q342-L344 PolarHBondContact O-N 3.27Å; L344-Y346 PolarHBondContact O-N 3.2Å
345N38.6Very low51.4Low152 Ų152114.5 Ų114.581%0.81358%0.577SS**  trans-64.4112.5168.9-73.3-46.7000109.6I343I343-N345 VanDerWaalsContact C-N 3.34Å; I343-N345 PolarHBondContact O-N 2.96Å
346Y37Very low50.7Low287 Ų287115.5 Ų115.5100%1.12557%0.572SS**  trans-90.40173.8-92-85.4000112.3L344L344-Y346 PolarHBondContact O-N 3.2Å

Retrieved 346 of 346 residues in 402.6 ms (Link to these results)