A0A087XIX4_POEFO Loading...

Lactosylceramide alpha-2,3-sialyltransferase

Transfers the sialyl group (N-acetyl-alpha-neuraminyl or NeuAc) from CMP-NeuAc to the non-reducing terminal galactose (Gal) of glycosphingolipids forming gangliosides (important molecules involved in the regulation of multiple cellular processes, including cell proliferation and differentiation, apoptosis, embryogenesis, development, and oncogenesis). Mainly involved in the biosynthesis of ganglioside GM3 but can also use different glycolipids as substrate acceptors such as D-galactosylceramide (GalCer), asialo-GM2 (GA2) and asialo-GM1 (GA1), although less preferentially than beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer (LacCer).

AlphaFold DB , UniProt , Accession A0A087XIX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 441 aa.

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Download Structure   PDB   PAE   Table  
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
1M38.5Very low36.5Very low208 Ų208100.9 Ų100.9100%1.02559%0.588SS**  0-31.60-78.1169.36800114.3L5M1-L5 PolarHBondContact O-N 3.32Å
2G34.3Very low36.8Very low58 Ų58103.7 Ų103.760%0.59858%0.581SS**Hα-helixtrans-66.9-33.6179.700000116.2S6G2-S6 PolarHBondContact O-N 3.22Å
3V34.2Very low37.2Very low119 Ų119101.6 Ų101.672%0.72156%0.564SS**Hα-helixtrans-72.6-35.8-178.6-177.10000112.3S6 L7V3-S6 PolarHBondContact O-N 3.3Å; V3-L7 PolarHBondContact O-N 2.88Å
4A30.6Very low37.4Very low60 Ų60103.1 Ų103.150%0.49656%0.557SS.*Hα-helixtrans-70.7-36.117800000112.6S6 L7 I8A4-S6 VanDerWaalsContact C-N 3.34Å; A4-L7 PolarHBondContact O-N 3.08Å; A4-I8 WeakPolarHBondContact O-CD1 3.48Å; A4-I8 VanDerWaalsContact O-CG1 3.29Å; A4-I8 WeakPolarHBondContact O-CG1 3.36Å; A4-I8 PolarHBondContact O-N 2.76Å; A4-I8 VanDerWaalsContact O-N 3.07Å
5L33.9Very low37.5Very low122 Ų122102.9 Ų102.964%0.63956%0.555SS**Hα-helixtrans-67.9-34.1173.4-75.5163.9000112M1 G9M1-L5 PolarHBondContact O-N 3.32Å; L5-G9 PolarHBondContact O-N 3.08Å
6S40.2Very low37.9Very low88 Ų88102.3 Ų102.362%0.61555%0.55SS**Hα-helixtrans-67.9-38.9173.1-121.70000112.6G2 V3 A4 G9 W10G2-S6 PolarHBondContact O-N 3.22Å; V3-S6 PolarHBondContact O-N 3.3Å; A4-S6 VanDerWaalsContact C-N 3.34Å; S6-G9 PolarHBondContact O-N 3.18Å; S6-W10 WeakPolarHBondContact O-CB 3.25Å; S6-W10 PolarHBondContact O-N 3.46Å
7L34.6Very low38.4Very low101 Ų10198.1 Ų98.153%0.52953%0.527SS..Hα-helixtrans-68.1-38.3177.4-133.390.9000112.2V3 A4 W10 L11V3-L7 PolarHBondContact O-N 2.88Å; A4-L7 PolarHBondContact O-N 3.08Å; L7-W10 PolarHBondContact O-N 3.48Å; L7-L11 WeakPolarHBondContact O-CB 3.05Å; L7-L11 PolarHBondContact O-N 2.74Å
8I39.5Very low38.3Very low106 Ų10697.4 Ų97.454%0.54452%0.52SS..Hα-helixtrans-68.9-38.8175.1-67.5165.4000110.5A4 W10 R12A4-I8 WeakPolarHBondContact O-CD1 3.48Å; A4-I8 VanDerWaalsContact O-CG1 3.29Å; A4-I8 WeakPolarHBondContact O-CG1 3.36Å; A4-I8 PolarHBondContact O-N 2.76Å; A4-I8 VanDerWaalsContact O-N 3.07Å; I8-W10 VanDerWaalsContact C-N 3.35Å; I8-R12 WeakPolarHBondContact O-CB 3.38Å; I8-R12 PolarHBondContact O-N 3.2Å
9G37.5Very low38.2Very low37 Ų3794.1 Ų94.138%0.38151%0.511SS..Hα-helixtrans-60.8-42.8171.300000112.5L5 S6 R12 Q13L5-G9 PolarHBondContact O-N 3.08Å; S6-G9 PolarHBondContact O-N 3.18Å; G9-R12 PolarHBondContact O-N 2.79Å; G9-Q13 WeakPolarHBondContact O-CB 3.41Å; G9-Q13 PolarHBondContact O-N 3.39Å
10W42.6Very low38.4Very low127 Ų12792.6 Ų92.648%0.48150%0.498SS..Hα-helixtrans-67.9-47.1177.9-177.784.5000113S6 L7 I8 R12 Q13 R14S6-W10 WeakPolarHBondContact O-CB 3.25Å; S6-W10 PolarHBondContact O-N 3.46Å; L7-W10 PolarHBondContact O-N 3.48Å; I8-W10 VanDerWaalsContact C-N 3.35Å; W10-R12 VanDerWaalsContact C-N 3.3Å; W10-R12 PolarHBondContact O-N 3.37Å; W10-Q13 PolarHBondContact O-N 3.16Å; W10-R14 WeakPolarHBondContact O-CB 3.47Å; W10-R14 PolarHBondContact O-N 3.12Å
11L35.2Very low38.3Very low84 Ų8492.9 Ų92.944%0.4450%0.499SS..Hα-helixtrans-62.1-38.1174.5-90.9152.4000111.9L7 R14 L15L7-L11 WeakPolarHBondContact O-CB 3.05Å; L7-L11 PolarHBondContact O-N 2.74Å; L11-R14 PolarHBondContact O-N 3.14Å; L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.84Å
12R40.8Very low37.7Very low134 Ų13493.8 Ų93.851%0.50649%0.491SS..Hα-helixtrans-69.2-37.4177.6-177.2175.6169.1-159.4-9.1112.3I8 G9 W10 L16I8-R12 WeakPolarHBondContact O-CB 3.38Å; I8-R12 PolarHBondContact O-N 3.2Å; G9-R12 PolarHBondContact O-N 2.79Å; W10-R12 VanDerWaalsContact C-N 3.3Å; W10-R12 PolarHBondContact O-N 3.37Å; R12-L16 WeakPolarHBondContact O-CB 3.27Å; R12-L16 VanDerWaalsContact O-CG 3.24Å; R12-L16 WeakPolarHBondContact O-CG 2.84Å; R12-L16 PolarHBondContact O-N 3.42Å
13Q41.2Very low37.6Very low77 Ų7793.5 Ų93.536%0.3648%0.479SS..Hα-helixtrans-70.1-39173.7-173.4145.9-9.700111.7G9 W10 L15 L16 E17 F310G9-Q13 WeakPolarHBondContact O-CB 3.41Å; G9-Q13 PolarHBondContact O-N 3.39Å; W10-Q13 PolarHBondContact O-N 3.16Å; Q13-L15 VanDerWaalsContact C-N 3.34Å; Q13-L15 PolarHBondContact O-N 3.21Å; Q13-L16 CarbonylContact O-C 3.46Å; Q13-L16 WeakPolarHBondContact O-CA 3.32Å; Q13-L16 WeakPolarHBondContact O-CB 3.15Å; Q13-L16 PolarHBondContact O-N 2.8Å; Q13-L16 VanDerWaalsContact O-N 3.16Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.39Å; Q13-E17 VanDerWaalsContact O-CD 3.24Å; Q13-E17 VanDerWaalsContact O-CG 3.31Å; Q13-E17 WeakPolarHBondContact O-CG 3.49Å; Q13-E17 PolarHBondContact O-N 2.97Å; Q13-F310 HydrophobicContact CG-CE1 4.27Å
14R40.5Very low37.8Very low122 Ų12291.4 Ų91.446%0.4646%0.459SS..Hα-helixtrans-65.2-33.9173.7-166161.9-179152.73113.2W10 L11 E17 E18W10-R14 WeakPolarHBondContact O-CB 3.47Å; W10-R14 PolarHBondContact O-N 3.12Å; L11-R14 PolarHBondContact O-N 3.14Å; R14-E17 CarbonylContact O-C 3.52Å; R14-E17 WeakPolarHBondContact O-CB 3.34Å; R14-E17 PolarHBondContact O-N 3.13Å; R14-E18 WeakPolarHBondContact O-CG 3.35Å; R14-E18 PolarHBondContact O-N 2.67Å
15L39.4Very low37.5Very low101 Ų10197 Ų9753%0.52948%0.479SS..Hα-helixtrans-76.5-30.5172.2-72.1168.3000112.8L11 Q13 E17L11-L15 WeakPolarHBondContact O-CB 3.32Å; L11-L15 VanDerWaalsContact O-CG 3.26Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.84Å; Q13-L15 VanDerWaalsContact C-N 3.34Å; Q13-L15 PolarHBondContact O-N 3.21Å; L15-E17 PolarHBondContact O-N 2.89Å
16L44.1Very low37.4Very low92 Ų9295.9 Ų95.948%0.48248%0.479SS..Hα-helixtrans-63.4-25.7165.4-74.2165.1000111.2R12 Q13 Y20 W354R12-L16 WeakPolarHBondContact O-CB 3.27Å; R12-L16 VanDerWaalsContact O-CG 3.24Å; R12-L16 WeakPolarHBondContact O-CG 2.84Å; R12-L16 PolarHBondContact O-N 3.42Å; Q13-L16 CarbonylContact O-C 3.46Å; Q13-L16 WeakPolarHBondContact O-CA 3.32Å; Q13-L16 WeakPolarHBondContact O-CB 3.15Å; Q13-L16 PolarHBondContact O-N 2.8Å; Q13-L16 VanDerWaalsContact O-N 3.16Å; L16-Y20 VanDerWaalsContact O-CD2 3.25Å; L16-Y20 WeakPolarHBondContact O-CD2 3.43Å; L16-W354 HydrophobicContact CD2-CH2 4.43Å; L16-W354 VanDerWaalsContact O-CH2 3.3Å; L16-W354 WeakPolarHBondContact O-CH2 3.4Å
17E45.8Very low36.8Very low32 Ų3296.4 Ų96.415%0.1549%0.489CS..Hα-helixtrans-91.5-32.2178.2-73.6152.2-163.200112.8Q13 R14 L15 G19 Y20 I21 F310Q13-E17 WeakPolarHBondContact CG-OE1 3.39Å; Q13-E17 VanDerWaalsContact O-CD 3.24Å; Q13-E17 VanDerWaalsContact O-CG 3.31Å; Q13-E17 WeakPolarHBondContact O-CG 3.49Å; Q13-E17 PolarHBondContact O-N 2.97Å; R14-E17 CarbonylContact O-C 3.52Å; R14-E17 WeakPolarHBondContact O-CB 3.34Å; R14-E17 PolarHBondContact O-N 3.13Å; L15-E17 PolarHBondContact O-N 2.89Å; E17-G19 PolarHBondContact O-N 3.09Å; E17-Y20 WeakPolarHBondContact O-CA 3.3Å; E17-Y20 WeakPolarHBondContact O-CB 3.35Å; E17-Y20 PolarHBondContact O-N 3.15Å; E17-I21 WeakPolarHBondContact O-CG1 3.32Å; E17-I21 PolarHBondContact O-N 2.97Å; E17-F310 WeakPolarHBondContact OE1-CD1 3.35Å; E17-F310 WeakPolarHBondContact OE2-CD1 3.16Å
18E35.9Very low36.6Very low85 Ų85100.2 Ų100.240%0.39750%0.504SS..Hα-helixtrans-66.3-23.3176.6-80.5-173.2-170.700113.4R14 Y20 I21R14-E18 WeakPolarHBondContact O-CG 3.35Å; R14-E18 PolarHBondContact O-N 2.67Å; E18-Y20 VanDerWaalsContact C-N 3.33Å; E18-I21 HydrophobicContact CG-CD1 4.07Å; E18-I21 PolarHBondContact O-N 3.01Å
19G37.6Very low36.2Very low35 Ų35100.9 Ų100.936%0.36152%0.515SS..Hα-helixtrans-74.6-16.9166.200000115.4E17E17-G19 PolarHBondContact O-N 3.09Å
20Y41.2Very low35.8Very low64 Ų64102.7 Ų102.725%0.25153%0.534SS..Hα-helixtrans-78.1-24.6166.6-82-108.9000112.1L16 E17 E18 W312 W354 M408L16-Y20 VanDerWaalsContact O-CD2 3.25Å; L16-Y20 WeakPolarHBondContact O-CD2 3.43Å; E17-Y20 WeakPolarHBondContact O-CA 3.3Å; E17-Y20 WeakPolarHBondContact O-CB 3.35Å; E17-Y20 PolarHBondContact O-N 3.15Å; E18-Y20 VanDerWaalsContact C-N 3.33Å; Y20-W312 AromaticContact CD1-CD1 3.89Å; Y20-W354 HydrophobicContact CE2-CZ3 4.47Å; Y20-M408 HydrophobicContact CD1-CE 4.26Å; Y20-M408 HydrophobicContact CE1-CE 3.59Å; Y20-M408 HydrophobicContact CE1-SD 4.25Å; Y20-M408 HydrophobicContact CE2-CE 4.48Å; Y20-M408 HydrophobicContact CE2-SD 4.09Å
21I36.3Very low35.1Very low99 Ų99105.7 Ų105.751%0.50855%0.553SS.*Hα-helixtrans-80.6-27.9-168.6-71.1171.5000113.5E17 E18 S23E17-I21 WeakPolarHBondContact O-CG1 3.32Å; E17-I21 PolarHBondContact O-N 2.97Å; E18-I21 HydrophobicContact CG-CD1 4.07Å; E18-I21 PolarHBondContact O-N 3.01Å; I21-S23 VanDerWaalsContact C-N 3.32Å; I21-S23 PolarHBondContact O-N 3.24Å
22W26.7Very low34.6Very low227 Ų227110.9 Ų110.986%0.8658%0.575SS**THydrogen-bonded Turntrans-81.61.5-171.6-80.893.5000115.9
23S31.4Very low33.8Very low51 Ų51111.8 Ų111.836%0.35759%0.589SS.*THydrogen-bonded Turntrans-102.30.6-171.7600000117.3I21I21-S23 VanDerWaalsContact C-N 3.32Å; I21-S23 PolarHBondContact O-N 3.24Å
24R38.8Very low32.9Very low76 Ų76115 Ų11529%0.28761%0.607SS.*  trans179115167.7-105.9162.2-97-157.8-2.2114.1E406R24-E406 IonicContact CZ-OE1 3.49Å; R24-E406 IonicContact NE-OE1 3.77Å; R24-E406 IonicContact NH2-OE1 2.78Å; R24-E406 PolarHBondContact NH2-OE1 3.05Å
25L25.3Very low32.1Very low177 Ų177115.6 Ų115.693%0.92762%0.619SS**  trans-114.5129149.4-83.6167.2000107.2
26P31.6Very low31.4Very low98 Ų98120.1 Ų120.164%0.63664%0.635SS**  trans-119.5133.2138.728.4-16.1000109.7
27A27Very low30.3Very low99 Ų99125.7 Ų125.782%0.81865%0.651SS**PPolyproline II helixtrans-75.4125.3161.600000108.2
28E29.8Very low29.3Very low182 Ų182133 Ų13385%0.8569%0.685SS**PPolyproline II helixtrans-89.3138163-81.7-90.1151.600108.7
29P31.1Very low28.8Very low119 Ų119136.5 Ų136.577%0.77370%0.701SS**PPolyproline II helixtrans-91141-175.934.3-30.2000112.4
30G29.6Very low28.2Very low75 Ų75144.4 Ų144.477%0.77373%0.728SS**  trans103.183153.100000116.7
31E27.4Very low27.5Very low190 Ų190146.4 Ų146.489%0.88875%0.752SS**  trans-136.8117.7138.1-83.3-170.9154.900108.1L33E31-L33 PolarHBondContact O-N 3.5Å
32Q25.3Very low27.5Very low193 Ų193147.3 Ų147.390%0.90276%0.764SS**  trans-63.7113.2177-78.9167-27.900109.6I34Q32-I34 PolarHBondContact O-N 3.28Å
33L24.2Very low27.6Very low154 Ų154145.9 Ų145.981%0.80677%0.767SS**  trans-80.8109.7161.1-109.694000108.9E31 L35E31-L33 PolarHBondContact O-N 3.5Å; L33-L35 PolarHBondContact O-N 3.07Å
34I23.1Very low27.4Very low144 Ų144148 Ų14874%0.73878%0.782SS**  trans-64.3110.3163.2-62.9171.1000107.2Q32Q32-I34 PolarHBondContact O-N 3.28Å
35L23.7Very low26.8Very low135 Ų135152.1 Ų152.171%0.70781%0.806SS**  trans-89.6114.8173.3-85159.5000109.2L33 Y37L33-L35 PolarHBondContact O-N 3.07Å; L35-Y37 PolarHBondContact O-N 3.43Å
36F23.3Very low26.9Very low196 Ų196154.9 Ų154.986%0.8681%0.805SS**  trans-71.7112.9160.1-83-88.4000108.4
37Y21.8Very low26.7Very low209 Ų209153.1 Ų153.182%0.8280%0.804SS**  trans-71.1133.3168.6-89.6-101.4000109.8L35L35-Y37 PolarHBondContact O-N 3.43Å
38H24.5Very low26.8Very low186 Ų186155.7 Ų155.786%0.86181%0.81SS**  trans-116.6110.9148.4-146.3-54.5000106.7
39E24.8Very low26.8Very low158 Ų158151 Ų15174%0.73881%0.811SS**  trans-62.4145.7173.9-75.6171.4126.800110.9
40E25.6Very low26.6Very low200 Ų200150.9 Ų150.994%0.93581%0.811SS**  -158124.6118.4-106.6177-167.200110.1
41S25.8Very low26.7Very low106 Ų106154.6 Ų154.674%0.74181%0.813SS**  trans-94.5160.9176.355.50000111.8
42P37.3Very low26.9Very low118 Ų118157.1 Ų157.177%0.76681%0.814SS**  trans-102.3164.1-171.639.6-31.9000113.6
43E27.8Very low27Very low197 Ų197152.2 Ų152.292%0.92181%0.806SS**  trans159.9153.6149.6-95.9179.7-174.300108.5
44S27Very low27.4Very low96 Ų96157.1 Ų157.167%0.67181%0.814SS**  cis-167.1158.34.61160000108.4
45M26.5Very low27.7Very low163 Ų163153.8 Ų153.880%0.80382%0.815SS**  trans18.2137.3153.2-66.5-164.6179.800122
46R28.1Very low28Very low235 Ų235155.5 Ų155.589%0.88782%0.824SS**  162.3149.493.3-134.9175.8-79.7-151.4-3.2111.9
47G28.2Very low28.3Very low61 Ų61158 Ų15863%0.62983%0.828SS**  trans103.6101.4136.500000120.8
48T29.1Very low28.6Very low152 Ų152152.7 Ų152.793%0.93383%0.828SS**  37.4129.8129.853.80000122.1
49G28.5Very low28.9Very low85 Ų85149.9 Ų149.988%0.87683%0.829SS**  trans172.4123.3157.400000115.2
50C27.7Very low29.2Very low115 Ų115147.1 Ų147.178%0.77783%0.833SS**  trans-83153.1-170.3-161.80000114
51L31Very low29.3Very low154 Ų154141.5 Ų141.581%0.80683%0.828SS**  162.1140.8117.3-88.7162.2000115.6
52R30.8Very low29.3Very low243 Ų243147.9 Ų147.992%0.91784%0.836SS**  trans104.3137.8140.6-102.8178.2179.5174.70.6120.3
53A28.9Very low30Very low90 Ų90147.1 Ų147.174%0.74483%0.831SS**  trans-119.7169.5-156.300000112.4
54R32.3Very low30Very low256 Ų256147 Ų14797%0.96683%0.828SS**  trans131.7135.5153.7-78.2175172.8-175.2-1.7109.3
55G28.6Very low30.1Very low74 Ų74148.4 Ų148.476%0.76383%0.832SS**  cis-170.7175.88.400000111.8
56L29.7Very low30.3Very low171 Ų171147.9 Ų147.990%0.89583%0.831SS**  trans-61.2149.3-170.1-64.2126.8000115.9
57R30.1Very low30.2Very low249 Ų249141.5 Ų141.594%0.9483%0.829SS**  -171.5135.6100.7-103.1179.9-174.3-171.22112.3
58A28.9Very low30.1Very low98 Ų98142.1 Ų142.181%0.8184%0.835SS**  trans-88.2158.3172.700000111.1
59S29.9Very low30Very low126 Ų126140.3 Ų140.388%0.88183%0.829SS**  trans-153129.2131.2-166.50000109.4
60A31.3Very low30Very low100 Ų100142.3 Ų142.383%0.82682%0.824SS**  trans-111.7147-177.400000109.4
61G26.9Very low30.1Very low82 Ų82141 Ų14185%0.84582%0.821SS**  trans-157.690.4169.300000110.4
62R26.9Very low30Very low240 Ų240140.6 Ų140.691%0.90682%0.82SS**  trans-97.5-169.6164-93.1-167.1-167.8-175.24.8107.5
63P52.3Low30.1Very low102 Ų102135 Ų13566%0.66281%0.808SS**  -138-174.6-52.339.4-22.5000111.8
64K27.8Very low30.2Very low196 Ų196137.4 Ų137.485%0.85281%0.809SS**  trans161.1116.4141.5-95.2172.6176.2-179.90108.1
65V28Very low30.1Very low124 Ų124133.7 Ų133.775%0.75280%0.804SS**  57.9116.256.9-160.70000110.3
66I30.8Very low30.5Very low152 Ų152139.2 Ų139.278%0.77981%0.807SS**  -175122.386.8-73.9164.5000105.1
67A26.9Very low30.6Very low102 Ų102138.6 Ų138.684%0.84380%0.804SS**  85.8133.973.400000116.2
68G25.3Very low31Very low74 Ų74135.7 Ų135.776%0.76380%0.798SS**  trans133.382.5167.500000112.9
69S27.2Very low31.6Very low114 Ų114139.3 Ų139.380%0.79780%0.803SS**  70.5122.386.4-158.20000112
70T28.7Very low32.2Very low126 Ų126144.7 Ų144.777%0.77380%0.804SS**  -164.8153.752.236.60000113.8
71A30.3Very low33Very low87 Ų87143.9 Ų143.972%0.71979%0.792SS**  trans55.4131.3151.200000118.7
72D29.2Very low34.2Very low147 Ų147144.8 Ų144.879%0.78678%0.783SS**  -171.1146.550.5-125.5-13.1000111.7
73D31.6Very low35.5Very low126 Ų126136.6 Ų136.667%0.67477%0.767SS**  trans55121.3143.2-86-3.5000127.3
74N31.7Very low35.5Very low140 Ų140137.7 Ų137.775%0.74976%0.763SS**  trans75.9110.1135.1-65.3-42.2000121.6
75M29.8Very low36.9Very low177 Ų177138.2 Ų138.287%0.87276%0.76SS**  174.2124.8100.2-171.7133.756.700111.9
76K36.5Very low38.2Very low191 Ų191138.9 Ų138.983%0.8376%0.755SS**  trans-69131.8174.4-71171.8177.7170.40110.9
77L33.1Very low40Very low157 Ų157133.3 Ų133.382%0.82274%0.735SS**  trans-129.5107.8161.2-119.1134.6000109.1L79L77-L79 PolarHBondContact O-N 2.94Å
78F37.9Very low42Very low188 Ų188135 Ų13583%0.82572%0.72SS**  trans-66109.1173.3-95.9-92.6000109.9R80F78-R80 PolarHBondContact O-N 3.44Å
79L40.5Very low44.4Very low174 Ų174136.9 Ų136.991%0.91171%0.711SS**  trans-72.4109.7164.7-83.3123.6000109.7L77L77-L79 PolarHBondContact O-N 2.94Å
80R42.8Very low46.9Very low239 Ų239136.5 Ų136.590%0.90270%0.699SS**  trans-78.2126.7168.7-86.2179.2168.5174-2.9110.3F78F78-R80 PolarHBondContact O-N 3.44Å
81S48.8Very low49.5Very low83 Ų83136.3 Ų136.358%0.5869%0.693SS**  trans-62.1140.2-175.2173.60000114.7A83S81-A83 VanDerWaalsContact C-N 3.33Å; S81-A83 PolarHBondContact O-N 3.43Å
82P52.9Low52.1Low101 Ų101136.9 Ų136.966%0.65668%0.683SS**THydrogen-bonded Turntrans-69.7-17.9-176.425.9-33.1000115.3H84 R85P82-H84 VanDerWaalsContact C-N 3.27Å; P82-H84 PolarHBondContact O-N 2.63Å; P82-R85 PolarHBondContact O-N 3.44Å
83A53.8Low54.9Low68 Ų68133.5 Ų133.556%0.56267%0.667SS**Hα-helixtrans-63.1-32-179.100000113.1S81 R85 Q86 G87S81-A83 VanDerWaalsContact C-N 3.33Å; S81-A83 PolarHBondContact O-N 3.43Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.97Å; A83-Q86 PolarHBondContact O-N 3.4Å; A83-G87 PolarHBondContact O-N 2.88Å
84H52.1Low57.6Low126 Ų126132.2 Ų132.258%0.58366%0.66SS**Hα-helixtrans-76.5-16.3-178.3-153.4-39.6000113.4P82 R88P82-H84 VanDerWaalsContact C-N 3.27Å; P82-H84 PolarHBondContact O-N 2.63Å; H84-R88 PolarHBondContact CE1-NH2 3.03Å; H84-R88 PolarHBondContact ND1-NE 3.37Å; H84-R88 PolarHBondContact ND1-NH2 3.1Å; H84-R88 VanDerWaalsContact ND1-NH2 3.13Å; H84-R88 WeakPolarHBondContact O-CG 2.96Å; H84-R88 PolarHBondContact O-NE 3.09Å; H84-R88 VanDerWaalsContact O-NE 3.14Å
85R56.2Low60.4Low206 Ų206127.2 Ų127.278%0.77764%0.641SS**Hα-helixtrans-82.4-37.9174.6-75.5-174.1175.9-175.3-0.7111.7P82 A83 R88 L89P82-R85 PolarHBondContact O-N 3.44Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.97Å; R85-R88 PolarHBondContact O-N 2.87Å; R85-L89 PolarHBondContact O-N 3.27Å; R85-L89 VanDerWaalsContact O-N 3.13Å
86Q56.5Low63.3Low139 Ų139123.5 Ų123.565%0.6563%0.625SS**Hα-helixtrans-67.5-43.3177.7-75.1-179-21.800112.4A83 R88 L89 I90A83-Q86 PolarHBondContact O-N 3.4Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 2.89Å; Q86-L89 PolarHBondContact O-N 3.32Å; Q86-I90 WeakPolarHBondContact O-CG1 3.34Å; Q86-I90 PolarHBondContact O-N 3.14Å; Q86-I90 VanDerWaalsContact O-N 3.09Å
87G67.5Low65.7Low35 Ų35119 Ų11936%0.36161%0.609SS.*Hα-helixtrans-62.8-35.3176.100000113.6A83 L91A83-G87 PolarHBondContact O-N 2.88Å; G87-L91 WeakPolarHBondContact O-CG 3.5Å; G87-L91 PolarHBondContact O-N 3.03Å; G87-L91 VanDerWaalsContact O-N 3.15Å
88R70.3Confident68.5Low138 Ų138116 Ų11652%0.52160%0.597SS.*Hα-helixtrans-67.6-39.3174.2-80.5-174.2-111.9-156.5-14.4112.4H84 R85 Q86 L91 I92H84-R88 PolarHBondContact CE1-NH2 3.03Å; H84-R88 PolarHBondContact ND1-NE 3.37Å; H84-R88 PolarHBondContact ND1-NH2 3.1Å; H84-R88 VanDerWaalsContact ND1-NH2 3.13Å; H84-R88 WeakPolarHBondContact O-CG 2.96Å; H84-R88 PolarHBondContact O-NE 3.09Å; H84-R88 VanDerWaalsContact O-NE 3.14Å; R85-R88 PolarHBondContact O-N 2.87Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 2.89Å; R88-L91 PolarHBondContact O-N 3.05Å; R88-I92 WeakPolarHBondContact O-CD1 3.39Å; R88-I92 WeakPolarHBondContact O-CG1 3.36Å; R88-I92 PolarHBondContact O-N 3.48Å
89L75.1Confident70.9Confident113 Ų113112.5 Ų112.559%0.59259%0.586SS**Hα-helixtrans-65.1-42.5178-168.371.1000111.4R85 Q86 L91 I92 V93R85-L89 PolarHBondContact O-N 3.27Å; R85-L89 VanDerWaalsContact O-N 3.13Å; Q86-L89 PolarHBondContact O-N 3.32Å; L89-L91 PolarHBondContact O-N 2.84Å; L89-I92 PolarHBondContact O-N 2.75Å; L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 2.97Å
90I80.5Confident73Confident105 Ų105108.2 Ų108.254%0.53857%0.567SS.*Hα-helixtrans-62.5-44.1177.4-66.7167.3000111Q86 I92 V93 L94Q86-I90 WeakPolarHBondContact O-CG1 3.34Å; Q86-I90 PolarHBondContact O-N 3.14Å; Q86-I90 VanDerWaalsContact O-N 3.09Å; I90-I92 VanDerWaalsContact C-N 3.34Å; I90-I92 PolarHBondContact O-N 2.62Å; I90-V93 PolarHBondContact O-N 3.47Å; I90-L94 HydrophobicContact CG2-CD1 3.87Å; I90-L94 HydrophobicContact CG2-CG 4.45Å; I90-L94 WeakPolarHBondContact O-CB 3.4Å; I90-L94 WeakPolarHBondContact O-CG 3.16Å; I90-L94 PolarHBondContact O-N 3.22Å
91L82.1Confident75Confident122 Ų122101 Ų10164%0.63955%0.545SS*.Hα-helixtrans-63.8-38176.8-75.1167000112.6G87 R88 L89 G95G87-L91 WeakPolarHBondContact O-CG 3.5Å; G87-L91 PolarHBondContact O-N 3.03Å; G87-L91 VanDerWaalsContact O-N 3.15Å; R88-L91 PolarHBondContact O-N 3.05Å; L89-L91 PolarHBondContact O-N 2.84Å; L91-G95 PolarHBondContact O-N 3.35Å
92I85.6Confident76.6Confident100 Ų100102.7 Ų102.751%0.51354%0.543SS..Hα-helixtrans-65.4-45.6175-69.3163.6000110.4R88 L89 I90 G95 L96R88-I92 WeakPolarHBondContact O-CD1 3.39Å; R88-I92 WeakPolarHBondContact O-CG1 3.36Å; R88-I92 PolarHBondContact O-N 3.48Å; L89-I92 PolarHBondContact O-N 2.75Å; I90-I92 VanDerWaalsContact C-N 3.34Å; I90-I92 PolarHBondContact O-N 2.62Å; I92-G95 PolarHBondContact O-N 3.1Å; I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CB 3.11Å; I92-L96 VanDerWaalsContact O-CG 3.31Å; I92-L96 WeakPolarHBondContact O-CG 3.49Å; I92-L96 PolarHBondContact O-N 2.97Å
93V87.4Confident77.5Confident76 Ų76100.9 Ų100.946%0.46153%0.533SS..Hα-helixtrans-63-45.2179172.20000111L89 I90 L96 L97L89-V93 VanDerWaalsContact O-CG2 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 2.97Å; I90-V93 PolarHBondContact O-N 3.47Å; V93-L96 PolarHBondContact O-N 3.27Å; V93-L97 HydrophobicContact CG1-CD1 4.49Å; V93-L97 WeakPolarHBondContact O-CB 3.45Å; V93-L97 PolarHBondContact O-N 3.4Å
94L89.3Confident78.3Confident98 Ų98102.8 Ų102.851%0.51353%0.533SS..Hα-helixtrans-63-42.4176.2-74.4168.6000111.9I90 L96 L97 V98I90-L94 HydrophobicContact CG2-CD1 3.87Å; I90-L94 HydrophobicContact CG2-CG 4.45Å; I90-L94 WeakPolarHBondContact O-CB 3.4Å; I90-L94 WeakPolarHBondContact O-CG 3.16Å; I90-L94 PolarHBondContact O-N 3.22Å; L94-L96 PolarHBondContact O-N 2.9Å; L94-L97 PolarHBondContact O-N 3.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 3.08Å
95G89.9Confident79.3Confident35 Ų35101.5 Ų101.536%0.36153%0.53SS..Hα-helixtrans-61.7-41.3175.700000112.8L91 I92 V98 L99L91-G95 PolarHBondContact O-N 3.35Å; I92-G95 PolarHBondContact O-N 3.1Å; G95-V98 PolarHBondContact O-N 2.83Å; G95-L99 WeakPolarHBondContact O-CB 3.49Å; G95-L99 WeakPolarHBondContact O-CG 3.34Å; G95-L99 PolarHBondContact O-N 2.86Å
96L89.6Confident79.6Confident100 Ų10096.3 Ų96.352%0.52452%0.517SS..Hα-helixtrans-65.5-39.4174-72.2170.5000111.8I92 V93 L94 L99 V100I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CB 3.11Å; I92-L96 VanDerWaalsContact O-CG 3.31Å; I92-L96 WeakPolarHBondContact O-CG 3.49Å; I92-L96 PolarHBondContact O-N 2.97Å; V93-L96 PolarHBondContact O-N 3.27Å; L94-L96 PolarHBondContact O-N 2.9Å; L96-L99 PolarHBondContact O-N 2.8Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.44Å; L96-V100 PolarHBondContact O-N 2.75Å
97L88.9Confident79.6Confident96 Ų9696.7 Ų96.750%0.50352%0.521SS..Hα-helixtrans-64.6-42.3177.3-127138.8000111.5V93 L94 V100 I101V93-L97 HydrophobicContact CG1-CD1 4.49Å; V93-L97 WeakPolarHBondContact O-CB 3.45Å; V93-L97 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 3.32Å; L97-V100 PolarHBondContact O-N 3.49Å; L97-I101 HydrophobicContact CD2-CD1 3.91Å; L97-I101 WeakPolarHBondContact O-CB 3.38Å; L97-I101 VanDerWaalsContact O-CG1 3.24Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 3.03Å
98V90.8Very high78.8Confident95 Ų95102.7 Ų102.758%0.57654%0.539SS*.Hα-helixtrans-64.9-41.6174.4172.20000111.2L94 G95 V100 I101 F102L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 3.08Å; G95-V98 PolarHBondContact O-N 2.83Å; V98-V100 VanDerWaalsContact C-N 3.34Å; V98-V100 PolarHBondContact O-N 3.43Å; V98-I101 PolarHBondContact O-N 2.79Å; V98-F102 WeakPolarHBondContact O-CB 3.37Å; V98-F102 PolarHBondContact O-N 2.9Å
99L88.1Confident77.5Confident113 Ų113103.3 Ų103.359%0.59255%0.55SS*.Hα-helixtrans-62.7-39.5174.9-82.9164000112.2G95 L96 S103G95-L99 WeakPolarHBondContact O-CB 3.49Å; G95-L99 WeakPolarHBondContact O-CG 3.34Å; G95-L99 PolarHBondContact O-N 2.86Å; L96-L99 PolarHBondContact O-N 2.8Å; L99-S103 WeakPolarHBondContact O-CB 3.25Å; L99-S103 PolarHBondContact O-N 3.05Å
100V85.4Confident76.1Confident84 Ų84107.3 Ų107.351%0.50956%0.557SS.*Hα-helixtrans-66.4-47.4175.1170.10000110.5L96 L97 V98 F102 S103 L104L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.44Å; L96-V100 PolarHBondContact O-N 2.75Å; L97-V100 PolarHBondContact O-N 3.49Å; V98-V100 VanDerWaalsContact C-N 3.34Å; V98-V100 PolarHBondContact O-N 3.43Å; V100-F102 VanDerWaalsContact C-N 3.33Å; V100-F102 PolarHBondContact O-N 2.73Å; V100-S103 PolarHBondContact O-N 3.02Å; V100-L104 HydrophobicContact CG1-CD1 3.82Å; V100-L104 HydrophobicContact CG1-CG 4.35Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.21Å
101I83.9Confident74.5Confident87 Ų87108.3 Ų108.345%0.44657%0.568SS.*Hα-helixtrans-60-45176.6-69.3165000110.7L97 V98 L104 L105L97-I101 HydrophobicContact CD2-CD1 3.91Å; L97-I101 WeakPolarHBondContact O-CB 3.38Å; L97-I101 VanDerWaalsContact O-CG1 3.24Å; L97-I101 WeakPolarHBondContact O-CG1 3.38Å; L97-I101 PolarHBondContact O-N 3.03Å; V98-I101 PolarHBondContact O-N 2.79Å; I101-L104 PolarHBondContact O-N 3.16Å; I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.45Å; I101-L105 WeakPolarHBondContact O-CB 3.21Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.28Å; I101-L105 PolarHBondContact O-N 3Å
102F82.3Confident73.1Confident119 Ų119108 Ų10852%0.52256%0.563SS.*Hα-helixtrans-66.5-38.9178.5-173.5-107.3000112.2V98 V100 L105 L106V98-F102 WeakPolarHBondContact O-CB 3.37Å; V98-F102 PolarHBondContact O-N 2.9Å; V100-F102 VanDerWaalsContact C-N 3.33Å; V100-F102 PolarHBondContact O-N 2.73Å; F102-L105 PolarHBondContact O-N 3.09Å; F102-L106 HydrophobicContact CD1-CD1 3.6Å; F102-L106 HydrophobicContact CD1-CG 4.27Å; F102-L106 HydrophobicContact CE1-CD1 3.3Å; F102-L106 HydrophobicContact CE1-CG 3.98Å; F102-L106 HydrophobicContact CG-CD1 4.47Å; F102-L106 HydrophobicContact CZ-CD1 3.95Å; F102-L106 HydrophobicContact CZ-CD2 4.43Å; F102-L106 HydrophobicContact CZ-CG 4.17Å; F102-L106 WeakPolarHBondContact O-CB 3.14Å; F102-L106 WeakPolarHBondContact O-CG 3.48Å; F102-L106 PolarHBondContact O-N 3.47Å
103S72.4Confident71.5Confident64 Ų64111.4 Ų111.445%0.44858%0.577SS.*Hα-helixtrans-63.9-42.2173.1-1740000111.7L99 V100 L106 M107L99-S103 WeakPolarHBondContact O-CB 3.25Å; L99-S103 PolarHBondContact O-N 3.05Å; V100-S103 PolarHBondContact O-N 3.02Å; S103-L106 PolarHBondContact O-N 2.8Å; S103-M107 WeakPolarHBondContact O-CG 3.39Å; S103-M107 PolarHBondContact O-N 2.87Å
104L71.3Confident70Confident108 Ų108112.6 Ų112.657%0.56559%0.586SS**Hα-helixtrans-64.2-40.8174.9-70168.2000111.6V100 I101 M107 Q108V100-L104 HydrophobicContact CG1-CD1 3.82Å; V100-L104 HydrophobicContact CG1-CG 4.35Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.27Å; V100-L104 PolarHBondContact O-N 3.21Å; I101-L104 PolarHBondContact O-N 3.16Å; L104-M107 PolarHBondContact O-N 3.38Å; L104-Q108 PolarHBondContact O-N 3.4Å
105L72.3Confident68.7Low98 Ų98112.6 Ų112.651%0.51358%0.583SS.*Hα-helixtrans-65.8-40.6174.2-74.2165.3000112.2I101 F102 M107 Q108 M109I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.45Å; I101-L105 WeakPolarHBondContact O-CB 3.21Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.28Å; I101-L105 PolarHBondContact O-N 3Å; F102-L105 PolarHBondContact O-N 3.09Å; L105-M107 VanDerWaalsContact C-N 3.34Å; L105-Q108 PolarHBondContact O-N 3.05Å; L105-M109 WeakPolarHBondContact O-CG 3.45Å; L105-M109 PolarHBondContact O-N 2.88Å
106L63.1Low67.2Low98 Ų98119.6 Ų119.651%0.51361%0.606SS.*Hα-helixtrans-65.2-36.6174.1-81.3170.4000112.2F102 S103 Q108 M109F102-L106 HydrophobicContact CD1-CD1 3.6Å; F102-L106 HydrophobicContact CD1-CG 4.27Å; F102-L106 HydrophobicContact CE1-CD1 3.3Å; F102-L106 HydrophobicContact CE1-CG 3.98Å; F102-L106 HydrophobicContact CG-CD1 4.47Å; F102-L106 HydrophobicContact CZ-CD1 3.95Å; F102-L106 HydrophobicContact CZ-CD2 4.43Å; F102-L106 HydrophobicContact CZ-CG 4.17Å; F102-L106 WeakPolarHBondContact O-CB 3.14Å; F102-L106 WeakPolarHBondContact O-CG 3.48Å; F102-L106 PolarHBondContact O-N 3.47Å; S103-L106 PolarHBondContact O-N 2.8Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-M109 PolarHBondContact O-N 3.2Å
107M55.5Low66.1Low147 Ų147118.1 Ų118.172%0.72460%0.595SS**Hα-helixtrans-66.6-34.3172.6-75-150.8140.800112.1S103 L104 L105 M109S103-M107 WeakPolarHBondContact O-CG 3.39Å; S103-M107 PolarHBondContact O-N 2.87Å; L104-M107 PolarHBondContact O-N 3.38Å; L105-M107 VanDerWaalsContact C-N 3.34Å; M107-M109 VanDerWaalsContact C-N 3.32Å
108Q52.3Low65.5Low161 Ų161121.2 Ų121.275%0.75261%0.607SS**Hα-helixtrans-73.1-24.2176.5-163.3142.7-22.100113.1L104 L105 L106L104-Q108 PolarHBondContact O-N 3.4Å; L105-Q108 PolarHBondContact O-N 3.05Å; L106-Q108 VanDerWaalsContact C-N 3.31Å
109M41.8Very low65.1Low150 Ų150117.8 Ų117.874%0.73959%0.586SS**THydrogen-bonded Turntrans-82.2-3.6177.3-73.1-75.5-6700114.6L105 L106 M107 T111L105-M109 WeakPolarHBondContact O-CG 3.45Å; L105-M109 PolarHBondContact O-N 2.88Å; L106-M109 PolarHBondContact O-N 3.2Å; M107-M109 VanDerWaalsContact C-N 3.32Å; M109-T111 PolarHBondContact O-N 3.33Å
110R45.7Very low65.2Low198 Ų198117 Ų11775%0.74758%0.583SS**  trans-79.377.5165.3-93.3-171.5-172.7171.63.1109.6E112R110-E112 VanDerWaalsContact C-N 3.3Å; R110-E112 PolarHBondContact O-N 2.71Å
111T47.1Very low65.4Low126 Ų126117.3 Ų117.377%0.77359%0.588SS**  trans-69.994.6158.150.80000107.1M109 E113M109-T111 PolarHBondContact O-N 3.33Å; T111-E113 PolarHBondContact O-N 3.48Å
112E53.4Low65.8Low114 Ų114115.7 Ų115.753%0.53359%0.588SS.*PPolyproline II helixtrans-58.3128.6167.8-62.8-87.2-173.600107.6R110 R401R110-E112 VanDerWaalsContact C-N 3.3Å; R110-E112 PolarHBondContact O-N 2.71Å; E112-R401 IonicContact OE1-CZ 2.7Å; E112-R401 IonicContact OE1-NH1 3.29Å; E112-R401 PolarHBondContact OE1-NH1 2.98Å; E112-R401 IonicContact OE1-NH2 3.8Å
113E52.3Low66.2Low172 Ų172112.8 Ų112.880%0.80458%0.576SS**PPolyproline II helixtrans-50.2132.7173.1-77.7-71152.900109.5T111 F115T111-E113 PolarHBondContact O-N 3.48Å; E113-F115 PolarHBondContact O-N 3.08Å
114P54.3Low67.3Low101 Ų101112 Ų11266%0.65656%0.564SS**PPolyproline II helixtrans-60.3117.9-178.821.9-29.9000109.3Q116P114-Q116 PolarHBondContact O-N 3.42Å
115F62.3Low68.4Low99 Ų99112.5 Ų112.543%0.43456%0.564SS.*  trans-56.7109.9174.5179.9-96.9000109E113 F117 G389 A390E113-F115 PolarHBondContact O-N 3.08Å; F115-F117 VanDerWaalsContact C-N 3.33Å; F115-F117 HydrophobicContact CD1-CB 4.04Å; F115-F117 HydrophobicContact CE1-CB 4.05Å; F115-F117 AromaticContact CE1-CD2 3.89Å; F115-F117 HydrophobicContact CE1-CD2 3.89Å; F115-F117 HydrophobicContact CE1-CG 4.46Å; F115-F117 PolarHBondContact O-N 3.01Å; F115-G389 WeakPolarHBondContact CB-O 3.39Å; F115-G389 WeakPolarHBondContact CG-O 3.38Å; F115-A390 HydrophobicContact CD1-CB 4.42Å; F115-A390 HydrophobicContact CE1-CB 3.9Å; F115-A390 HydrophobicContact CZ-CB 4.25Å
116Q58.8Low69.5Low181 Ų181111.1 Ų111.185%0.84656%0.556SS**  trans-74.589.9178.9-69-145.97.100109.7P114 H118P114-Q116 PolarHBondContact O-N 3.42Å; Q116-H118 PolarHBondContact O-N 2.72Å
117F66.8Low71Confident70 Ų70106.4 Ų106.431%0.30753%0.532SS..  trans-78.6100.8171.7-171.6-110000109.3F115 V119 K225 P391F115-F117 VanDerWaalsContact C-N 3.33Å; F115-F117 HydrophobicContact CD1-CB 4.04Å; F115-F117 HydrophobicContact CE1-CB 4.05Å; F115-F117 AromaticContact CE1-CD2 3.89Å; F115-F117 HydrophobicContact CE1-CD2 3.89Å; F115-F117 HydrophobicContact CE1-CG 4.46Å; F115-F117 PolarHBondContact O-N 3.01Å; F117-V119 HydrophobicContact CD1-CG2 4.31Å; F117-V119 HydrophobicContact CE1-CG2 3.7Å; F117-V119 HydrophobicContact CZ-CG2 4.21Å; F117-K225 HydrophobicContact CD1-CB 4.26Å; F117-K225 HydrophobicContact CE1-CB 4.24Å; F117-K225 WeakPolarHBondContact CE1-O 3.4Å; F117-P391 HydrophobicContact CB-CG 4.3Å; F117-P391 HydrophobicContact CD1-CG 4.45Å; F117-P391 HydrophobicContact CG-CG 4.22Å
118H76.4Confident73Confident161 Ų161101.4 Ų101.475%0.74551%0.507SS*.  trans-108.1122172.8-177.372.4000109.9Q116Q116-H118 PolarHBondContact O-N 2.72Å
119V82.6Confident75.1Confident23 Ų2398.6 Ų98.614%0.13949%0.493CS..  trans-83.3116.6172.6178.20000108.5F117 S121 K124 K225 L227F117-V119 HydrophobicContact CD1-CG2 4.31Å; F117-V119 HydrophobicContact CE1-CG2 3.7Å; F117-V119 HydrophobicContact CZ-CG2 4.21Å; V119-S121 PolarHBondContact O-N 2.7Å; V119-K124 HydrophobicContact CG1-CB 3.95Å; V119-K225 WeakPolarHBondContact CG2-O 3.48Å; V119-L227 HydrophobicContact CG1-CD2 3.83Å; V119-L227 HydrophobicContact CG2-CD2 4.47Å
120N88.7Confident77.7Confident97 Ų9791.9 Ų91.952%0.51946%0.46SS..  trans-61.4133.7173.1179.3-7.7000110.3A122 H123 K124N120-A122 PolarHBondContact O-N 2.63Å; N120-A122 PolarHBondContact OD1-N 2.88Å; N120-H123 HydrophobicContact CB-CB 4.3Å; N120-H123 WeakPolarHBondContact O-CB 3.49Å; N120-H123 PolarHBondContact O-N 2.95Å; N120-K124 PolarHBondContact O-N 3.01Å
121S90.8Very high80.2Confident90 Ų9082.4 Ų82.463%0.62943%0.425SS*.Hα-helixtrans-53.9-37.8177.3-65.60000113.3V119 K124 Q125V119-S121 PolarHBondContact O-N 2.7Å; S121-K124 PolarHBondContact O-N 2.99Å; S121-Q125 PolarHBondContact O-N 2.99Å
122A91.8Very high82.6Confident53 Ų5380.8 Ų80.844%0.43841%0.408SS..Hα-helixtrans-65.6-40.8176.400000112.1N120 Q125 L126N120-A122 PolarHBondContact O-N 2.63Å; N120-A122 PolarHBondContact OD1-N 2.88Å; A122-Q125 PolarHBondContact O-N 2.81Å; A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 3.13Å; A122-L126 VanDerWaalsContact O-N 3.13Å
123H91.2Very high84.6Confident58 Ų5882.8 Ų82.827%0.26941%0.411SS..Hα-helixtrans-66.7-44.8176179.272000111.2N120 Q125 L126 V127N120-H123 HydrophobicContact CB-CB 4.3Å; N120-H123 WeakPolarHBondContact O-CB 3.49Å; N120-H123 PolarHBondContact O-N 2.95Å; H123-Q125 VanDerWaalsContact C-N 3.28Å; H123-Q125 PolarHBondContact O-N 3.03Å; H123-L126 PolarHBondContact O-N 3.43Å; H123-L126 VanDerWaalsContact O-N 3.15Å; H123-V127 WeakPolarHBondContact O-CG2 3.23Å; H123-V127 PolarHBondContact O-N 3.35Å
124K94.1Very high86.7Confident47 Ų4775.2 Ų75.220%0.20438%0.377CS..Hα-helixtrans-53.9-45.4174.1176.7-178.1159.9-174.50111.3V119 N120 S121 V127 H128 E228V119-K124 HydrophobicContact CG1-CB 3.95Å; N120-K124 PolarHBondContact O-N 3.01Å; S121-K124 PolarHBondContact O-N 2.99Å; K124-V127 PolarHBondContact O-N 3.41Å; K124-H128 PolarHBondContact O-CD2 3.27Å; K124-H128 PolarHBondContact O-N 3.11Å; K124-E228 WeakPolarHBondContact CE-OE2 3.3Å; K124-E228 IonicContact NZ-OE1 3Å; K124-E228 PolarHBondContact NZ-OE1 2.86Å; K124-E228 IonicContact NZ-OE2 3.88Å; K124-E228 PolarHBondContact NZ-OE2 2.82Å
125Q95.1Very high88.7Confident118 Ų11871 Ų7155%0.55135%0.349SS*.Hα-helixtrans-60.9-46.1177.1-174.9178.7-15.300112.3S121 A122 H123 V127 H128 E129S121-Q125 PolarHBondContact O-N 2.99Å; A122-Q125 PolarHBondContact O-N 2.81Å; H123-Q125 VanDerWaalsContact C-N 3.28Å; H123-Q125 PolarHBondContact O-N 3.03Å; Q125-V127 VanDerWaalsContact C-N 3.29Å; Q125-V127 PolarHBondContact O-N 3.03Å; Q125-H128 PolarHBondContact O-N 2.85Å; Q125-H128 VanDerWaalsContact O-N 3.15Å; Q125-E129 HydrophobicContact CG-CG 4.49Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.28Å; Q125-E129 PolarHBondContact NE2-OE1 3.41Å; Q125-E129 WeakPolarHBondContact O-CG 3.5Å; Q125-E129 PolarHBondContact O-N 3.48Å
126L95.3Very high90.3Very high69 Ų6971.6 Ų71.636%0.36135%0.352SS..Hα-helixtrans-60.2-39.2177.2-69.2167.2000112.4A122 H123 N130 F438A122-L126 WeakPolarHBondContact O-CG 3.47Å; A122-L126 PolarHBondContact O-N 3.13Å; A122-L126 VanDerWaalsContact O-N 3.13Å; H123-L126 PolarHBondContact O-N 3.43Å; H123-L126 VanDerWaalsContact O-N 3.15Å; L126-N130 WeakPolarHBondContact O-CB 3.46Å; L126-N130 PolarHBondContact O-N 3.01Å; L126-F438 HydrophobicContact CB-CB 4.49Å; L126-F438 HydrophobicContact CB-CD2 3.86Å; L126-F438 HydrophobicContact CB-CG 4.47Å
127V95.8Very high91.9Very high0 Ų064.5 Ų64.50%033%0.328CS..Hα-helixtrans-64.5-46.5174.9178.70000110.2H123 K124 Q125 E129 N130 V131 L227 L229 L430 F438H123-V127 WeakPolarHBondContact O-CG2 3.23Å; H123-V127 PolarHBondContact O-N 3.35Å; K124-V127 PolarHBondContact O-N 3.41Å; Q125-V127 VanDerWaalsContact C-N 3.29Å; Q125-V127 PolarHBondContact O-N 3.03Å; V127-E129 PolarHBondContact O-N 3.22Å; V127-N130 WeakPolarHBondContact O-CB 3.17Å; V127-N130 PolarHBondContact O-N 3.04Å; V127-V131 HydrophobicContact CG1-CG2 4.47Å; V127-V131 WeakPolarHBondContact O-CG2 3.38Å; V127-V131 PolarHBondContact O-N 3.18Å; V127-L227 HydrophobicContact CB-CD2 4.43Å; V127-L227 HydrophobicContact CG1-CD1 4.21Å; V127-L227 HydrophobicContact CG1-CD2 4.41Å; V127-L227 HydrophobicContact CG2-CD2 4.09Å; V127-L229 HydrophobicContact CG1-CD1 3.88Å; V127-L229 HydrophobicContact CG1-CD2 4.02Å; V127-L229 HydrophobicContact CG1-CG 4.37Å; V127-L430 WeakPolarHBondContact CG1-O 3.46Å; V127-F438 HydrophobicContact CB-CE2 4.45Å; V127-F438 HydrophobicContact CG2-CE2 3.58Å; V127-F438 HydrophobicContact CG2-CZ 3.99Å
128H97.1Very high93.2Very high42 Ų4270.9 Ų70.919%0.19435%0.35CS..Hα-helixtrans-59.4-45.5177.4-80.1-131.5000111.7K124 Q125 N130 V131 H132 L227 E228 H232K124-H128 PolarHBondContact O-CD2 3.27Å; K124-H128 PolarHBondContact O-N 3.11Å; Q125-H128 PolarHBondContact O-N 2.85Å; Q125-H128 VanDerWaalsContact O-N 3.15Å; H128-N130 VanDerWaalsContact C-N 3.32Å; H128-N130 PolarHBondContact O-N 2.9Å; H128-V131 PolarHBondContact O-N 3.19Å; H128-H132 WeakPolarHBondContact O-CB 3.39Å; H128-H132 PolarHBondContact O-N 3.41Å; H128-L227 PolarHBondContact NE2-O 3.11Å; H128-E228 PolarHBondContact CE1-O 3.45Å; H128-E228 PolarHBondContact NE2-O 3.48Å; H128-H232 AromaticContact CE1-CE1 3.85Å; H128-H232 AromaticContact ND1-CE1 3.32Å; H128-H232 PolarHBondContact ND1-CE1 2.92Å; H128-H232 VanDerWaalsContact ND1-CE1 3.32Å; H128-H232 AromaticContact ND1-ND1 3.94Å
129E96.4Very high94Very high101 Ų10164.5 Ų64.547%0.47232%0.324SS..Hα-helixtrans-60.1-41.6175.4-72.7173.1-170.200111.8Q125 V127 H132 R133Q125-E129 HydrophobicContact CG-CG 4.49Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.28Å; Q125-E129 PolarHBondContact NE2-OE1 3.41Å; Q125-E129 WeakPolarHBondContact O-CG 3.5Å; Q125-E129 PolarHBondContact O-N 3.48Å; V127-E129 PolarHBondContact O-N 3.22Å; E129-H132 PolarHBondContact O-N 2.64Å; E129-R133 WeakPolarHBondContact O-CB 3.03Å; E129-R133 PolarHBondContact O-N 3.39Å
130N96.5Very high94.4Very high9 Ų966.8 Ų66.85%0.04833%0.333CS..Hα-helixtrans-61.7-47174.5177.260.8000112L126 V127 H128 R133 V134 D429 L430 F438L126-N130 WeakPolarHBondContact O-CB 3.46Å; L126-N130 PolarHBondContact O-N 3.01Å; V127-N130 WeakPolarHBondContact O-CB 3.17Å; V127-N130 PolarHBondContact O-N 3.04Å; H128-N130 VanDerWaalsContact C-N 3.32Å; H128-N130 PolarHBondContact O-N 2.9Å; N130-R133 WeakPolarHBondContact O-CB 3.27Å; N130-R133 PolarHBondContact O-N 3.32Å; N130-R133 PolarHBondContact OD1-NH2 2.91Å; N130-V134 WeakPolarHBondContact O-CG2 3.47Å; N130-V134 PolarHBondContact O-N 2.88Å; N130-D429 PolarHBondContact ND2-O 3.31Å; N130-L430 PolarHBondContact ND2-O 3.39Å; N130-F438 HydrophobicContact CB-CD1 3.77Å; N130-F438 HydrophobicContact CB-CE1 3.66Å; N130-F438 HydrophobicContact CB-CZ 4.33Å; N130-F438 VanDerWaalsContact CG-CE1 3.43Å; N130-F438 WeakPolarHBondContact ND2-CE1 3.39Å
131V97.2Very high94.6Very high0 Ų066.5 Ų66.50%034%0.336CS..Hα-helixtrans-65.2-41.5179-179.50000111.2V127 H128 R133 V134 L135 L229 H232 L430V127-V131 HydrophobicContact CG1-CG2 4.47Å; V127-V131 WeakPolarHBondContact O-CG2 3.38Å; V127-V131 PolarHBondContact O-N 3.18Å; H128-V131 PolarHBondContact O-N 3.19Å; V131-R133 PolarHBondContact O-N 3.27Å; V131-V134 PolarHBondContact O-N 3.1Å; V131-L135 HydrophobicContact CG1-CD1 3.99Å; V131-L135 HydrophobicContact CG1-CG 4.42Å; V131-L135 WeakPolarHBondContact O-CG 2.96Å; V131-L135 PolarHBondContact O-N 2.96Å; V131-L229 HydrophobicContact CB-CD2 4.48Å; V131-L229 HydrophobicContact CG2-CD1 4.35Å; V131-L229 HydrophobicContact CG2-CD2 3.9Å; V131-H232 HydrophobicContact CG1-CB 3.64Å; V131-L430 HydrophobicContact CG1-CD1 4.37Å; V131-L430 HydrophobicContact CG1-CD2 4.44Å; V131-L430 HydrophobicContact CG2-CB 3.79Å; V131-L430 HydrophobicContact CG2-CD2 4.21Å; V131-L430 HydrophobicContact CG2-CG 4.37Å
132H96.9Very high94.4Very high91 Ų9169.6 Ų69.642%0.42133%0.334SS..Hα-helixtrans-57.9-47.5174.3-174.3-85.6000111.3H128 E129 V134 L135 E136H128-H132 WeakPolarHBondContact O-CB 3.39Å; H128-H132 PolarHBondContact O-N 3.41Å; E129-H132 PolarHBondContact O-N 2.64Å; H132-V134 VanDerWaalsContact C-N 3.3Å; H132-V134 PolarHBondContact O-N 3.49Å; H132-L135 PolarHBondContact O-N 2Å; H132-E136 WeakPolarHBondContact CE1-CG 3.43Å; H132-E136 WeakPolarHBondContact O-CB 3.43Å; H132-E136 WeakPolarHBondContact O-CG 3.33Å; H132-E136 PolarHBondContact O-N 3.48Å
133R96.2Very high94.5Very high156 Ų15671.1 Ų71.159%0.58933%0.328SS*.Hα-helixtrans-59.2-37.6176-178.1-175.464.1100.83.3112.9E129 N130 V131 G137E129-R133 WeakPolarHBondContact O-CB 3.03Å; E129-R133 PolarHBondContact O-N 3.39Å; N130-R133 WeakPolarHBondContact O-CB 3.27Å; N130-R133 PolarHBondContact O-N 3.32Å; N130-R133 PolarHBondContact OD1-NH2 2.91Å; V131-R133 PolarHBondContact O-N 3.27Å; R133-G137 WeakPolarHBondContact O-CA 3.34Å; R133-G137 PolarHBondContact O-N 3.01Å
134V95.8Very high94.7Very high14 Ų1468.6 Ų68.69%0.08532%0.317CS..Hα-helixtrans-68-42.9176.2172.10000111.2N130 V131 H132 L430N130-V134 WeakPolarHBondContact O-CG2 3.47Å; N130-V134 PolarHBondContact O-N 2.88Å; V131-V134 PolarHBondContact O-N 3.1Å; H132-V134 VanDerWaalsContact C-N 3.3Å; H132-V134 PolarHBondContact O-N 3.49Å; V134-L430 HydrophobicContact CB-CD2 4.06Å; V134-L430 HydrophobicContact CG1-CD2 3.91Å; V134-L430 HydrophobicContact CG2-CD2 4.07Å
135L96.4Very high94.7Very high13 Ų1367.7 Ų67.77%0.06831%0.312CS..Hα-helixtrans-68.1-44-179.8-73.4169.9000112.6V131 H132 G137 R214 H232 R235 F236V131-L135 HydrophobicContact CG1-CD1 3.99Å; V131-L135 HydrophobicContact CG1-CG 4.42Å; V131-L135 WeakPolarHBondContact O-CG 2.96Å; V131-L135 PolarHBondContact O-N 2.96Å; H132-L135 PolarHBondContact O-N 2Å; L135-G137 VanDerWaalsContact C-N 3.33Å; L135-R214 PolarHBondContact O-NH1 3.13Å; L135-R214 VanDerWaalsContact O-NH1 3.08Å; L135-H232 HydrophobicContact CD1-CB 4.32Å; L135-R235 HydrophobicContact CD1-CB 4.16Å; L135-R235 HydrophobicContact CD2-CB 4.2Å; L135-F236 HydrophobicContact CD2-CD1 4.49Å; L135-F236 HydrophobicContact CD2-CD2 3.88Å; L135-F236 HydrophobicContact CD2-CE1 4.23Å; L135-F236 HydrophobicContact CD2-CE2 3.59Å; L135-F236 HydrophobicContact CD2-CG 4.33Å; L135-F236 HydrophobicContact CD2-CZ 3.77Å; L135-F236 HydrophobicContact CG-CE2 4.21Å; L135-F236 HydrophobicContact CG-CZ 4.37Å
136E95.8Very high94.7Very high110 Ų11067.6 Ų67.651%0.51431%0.312SS..Hα-helixtrans-82.3-10.1179.8-61.6-48.1135.600113.7H132 R235H132-E136 WeakPolarHBondContact CE1-CG 3.43Å; H132-E136 WeakPolarHBondContact O-CB 3.43Å; H132-E136 WeakPolarHBondContact O-CG 3.33Å; H132-E136 PolarHBondContact O-N 3.48Å; E136-R235 IonicContact OE1-CZ 2.78Å; E136-R235 IonicContact OE1-NH1 3.9Å; E136-R235 IonicContact OE1-NH2 3.81Å; E136-R235 PolarHBondContact OE1-NH2 3.3Å
137G93.9Very high94.7Very high33 Ų3367.8 Ų67.834%0.3431%0.31SS..SBendtrans-59.6167.7179.300000112.6R133 L135 C139 R214R133-G137 WeakPolarHBondContact O-CA 3.34Å; R133-G137 PolarHBondContact O-N 3.01Å; L135-G137 VanDerWaalsContact C-N 3.33Å; G137-C139 PolarHBondContact O-N 2.61Å; G137-R214 PolarHBondContact O-NH2 3.08Å
138R93.4Very high94.7Very high204 Ų20468 Ų6877%0.7731%0.311SS*.PPolyproline II helixtrans-72.2126.3171.9-170.4177.4-170.5-179.34110.1H140R138-H140 PolarHBondContact O-CE1 3.36Å; R138-H140 PolarHBondContact O-ND1 2.93Å
139C92.8Very high94.6Very high27 Ų2768.7 Ų68.718%0.18232%0.316CS..PPolyproline II helixtrans-88.3129.4176.9-155.80000109.7G137 C212 R214G137-C139 PolarHBondContact O-N 2.61Å; C139-C212 HydrophobicContact CB-CB 3.38Å; C139-C212 WeakPolarHBondContact CB-SG 3.5Å; C139-C212 WeakPolarHBondContact SG-CB 3.24Å; C139-C212 CovalentContact SG-SG 2Å; C139-C212 PolarHBondContact SG-SG 3.34Å; C139-R214 VanDerWaalsContact CA-NH2 3.33Å; C139-R214 VanDerWaalsContact N-NH2 3.13Å
140H92.3Very high94.6Very high71 Ų7167.5 Ų67.533%0.32932%0.323SS..  trans-114.9125.6177.9-57.477.3000110.2R138 R142 R143 C212 E375R138-H140 PolarHBondContact O-CE1 3.36Å; R138-H140 PolarHBondContact O-ND1 2.93Å; H140-R142 PolarHBondContact O-N 3.04Å; H140-R143 HydrophobicContact CB-CB 3.95Å; H140-R143 HydrophobicContact CB-CG 4.34Å; H140-R143 WeakPolarHBondContact O-CB 3.39Å; H140-R143 PolarHBondContact O-N 3.4Å; H140-C212 PolarHBondContact N-SG 3.49Å; H140-E375 PolarHBondContact N-OE1 3.08Å; H140-E375 IonicContact ND1-OE1 2.9Å
141P91.5Very high94.5Very high90 Ų9068.9 Ų68.958%0.58433%0.33SS*.THydrogen-bonded Turntrans-51.9138.2176.6-28.335.8000112.6R143 D374P141-R143 PolarHBondContact O-N 3.34Å; P141-D374 WeakPolarHBondContact CA-OD1 3.44Å
142R87.9Confident94.3Very high155 Ų15569.7 Ų69.759%0.58533%0.333SS*.THydrogen-bonded Turntrans5310.4176.8-59.3-177.6176.9171.51116.7H140 S144 R145 E146 D374H140-R142 PolarHBondContact O-N 3.04Å; R142-S144 PolarHBondContact O-N 3.21Å; R142-R145 PolarHBondContact O-N 2.98Å; R142-R145 VanDerWaalsContact O-N 3.13Å; R142-E146 HydrophobicContact CB-CG 4.13Å; R142-E146 WeakPolarHBondContact O-CG 2.93Å; R142-E146 PolarHBondContact O-N 2.95Å; R142-D374 PolarHBondContact N-OD1 2.95Å
143R93.8Very high93.9Very high86 Ų8670.2 Ų70.233%0.32535%0.345SS..Hα-helixtrans-52.7-49.9-172.3-175.5-172.6-169.6174.51.3113.5H140 P141 R145 K147 D374 E375H140-R143 HydrophobicContact CB-CB 3.95Å; H140-R143 HydrophobicContact CB-CG 4.34Å; H140-R143 WeakPolarHBondContact O-CB 3.39Å; H140-R143 PolarHBondContact O-N 3.4Å; P141-R143 PolarHBondContact O-N 3.34Å; R143-R145 PolarHBondContact O-N 3.37Å; R143-K147 HydrophobicContact CG-CD 4.23Å; R143-K147 WeakPolarHBondContact O-CB 3.49Å; R143-K147 WeakPolarHBondContact O-CG 3.49Å; R143-K147 PolarHBondContact O-N 2.65Å; R143-D374 PolarHBondContact N-O 3.27Å; R143-D374 VanDerWaalsContact N-O 3.1Å; R143-E375 HydrophobicContact CB-CG 4.26Å; R143-E375 WeakPolarHBondContact CD-OE1 3.35Å; R143-E375 IonicContact CZ-OE1 3.02Å; R143-E375 IonicContact NE-OE1 3.65Å; R143-E375 IonicContact NH1-OE1 2.76Å; R143-E375 PolarHBondContact NH1-OE1 3.23Å
144S95.4Very high93.3Very high4 Ų465.8 Ų65.83%0.02834%0.338CS..Hα-helixtrans-63.7-41.9-177.1-74.10000111.4R142 L148 D374 V376 V426R142-S144 PolarHBondContact O-N 3.21Å; S144-L148 WeakPolarHBondContact O-CB 3.36Å; S144-L148 PolarHBondContact O-N 2.79Å; S144-D374 PolarHBondContact N-O 2.98Å; S144-V376 PolarHBondContact OG-N 3.43Å; S144-V426 WeakPolarHBondContact CA-O 3.28Å; S144-V426 WeakPolarHBondContact CB-O 3.46Å; S144-V426 WeakPolarHBondContact O-CG1 2.97Å; S144-V426 PolarHBondContact OG-O 3.45Å
145R94.3Very high92.7Very high28 Ų2865.1 Ų65.111%0.10633%0.334CS..Hα-helixtrans-69.5-46.6179.6-170.661-177.2178.43.3112.3R142 R143 L148 L149 S370 L371R142-R145 PolarHBondContact O-N 2.98Å; R142-R145 VanDerWaalsContact O-N 3.13Å; R143-R145 PolarHBondContact O-N 3.37Å; R145-L148 PolarHBondContact O-N 3.39Å; R145-L149 HydrophobicContact CG-CD1 4.2Å; R145-L149 WeakPolarHBondContact O-CG 3.38Å; R145-L149 PolarHBondContact O-N 3.33Å; R145-S370 WeakPolarHBondContact CB-O 3.24Å; R145-S370 WeakPolarHBondContact CD-OG 3.39Å; R145-S370 PolarHBondContact NH1-OG 2.95Å; R145-L371 VanDerWaalsContact CZ-CD2 3.42Å
146E94.1Very high91.2Very high117 Ų11769.4 Ų69.455%0.54737%0.365SS..Hα-helixtrans-63.3-47.4-178-72.6179.4174.500111.4R142 L148 L149 A150R142-E146 HydrophobicContact CB-CG 4.13Å; R142-E146 WeakPolarHBondContact O-CG 2.93Å; R142-E146 PolarHBondContact O-N 2.95Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 1.98Å; E146-L149 PolarHBondContact O-N 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.36Å; E146-A150 PolarHBondContact O-N 3.24Å
147K96.3Very high90.1Very high73 Ų7366.6 Ų66.632%0.31737%0.366SS..Hα-helixtrans-62.5-40.1175.3-74.1-172.6156.1-156.80112.3R143 A150 L151 E424 G425 V426R143-K147 HydrophobicContact CG-CD 4.23Å; R143-K147 WeakPolarHBondContact O-CB 3.49Å; R143-K147 WeakPolarHBondContact O-CG 3.49Å; R143-K147 PolarHBondContact O-N 2.65Å; K147-A150 PolarHBondContact O-N 2.94Å; K147-L151 WeakPolarHBondContact O-CG 3.3Å; K147-L151 PolarHBondContact O-N 3.42Å; K147-E424 PolarHBondContact NZ-O 2.99Å; K147-G425 WeakPolarHBondContact CD-O 3.46Å; K147-G425 PolarHBondContact NZ-O 3.29Å; K147-V426 HydrophobicContact CB-CB 4.39Å; K147-V426 HydrophobicContact CB-CG1 4.39Å; K147-V426 HydrophobicContact CB-CG2 3.88Å
148L95.4Very high89.5Confident4 Ų469.5 Ų69.52%0.02139%0.387CS..Hα-helixtrans-60.6-47.1176.9-178.562.4000111.1S144 R145 E146 A150 L151 F152 F341 F417 L421 V426S144-L148 WeakPolarHBondContact O-CB 3.36Å; S144-L148 PolarHBondContact O-N 2.79Å; R145-L148 PolarHBondContact O-N 3.39Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 1.98Å; L148-A150 PolarHBondContact O-N 2.87Å; L148-L151 PolarHBondContact O-N 3.05Å; L148-F152 HydrophobicContact CD1-CD2 3.86Å; L148-F152 HydrophobicContact CD1-CE2 4.01Å; L148-F152 VanDerWaalsContact O-CD2 3.32Å; L148-F152 WeakPolarHBondContact O-CD2 3.39Å; L148-F152 PolarHBondContact O-N 2.88Å; L148-F152 VanDerWaalsContact O-N 3.14Å; L148-F341 HydrophobicContact CD1-CD1 4.39Å; L148-F341 HydrophobicContact CD1-CE1 4.35Å; L148-F341 HydrophobicContact CD2-CD2 4.29Å; L148-F341 HydrophobicContact CD2-CE1 4.24Å; L148-F341 HydrophobicContact CD2-CE2 3.67Å; L148-F341 HydrophobicContact CD2-CZ 3.65Å; L148-F341 HydrophobicContact CG-CD1 4.46Å; L148-F341 HydrophobicContact CG-CE1 3.94Å; L148-F341 HydrophobicContact CG-CE2 4.26Å; L148-F341 HydrophobicContact CG-CZ 3.85Å; L148-F417 HydrophobicContact CD1-CZ 4.01Å; L148-L421 HydrophobicContact CD1-CD1 4.21Å; L148-L421 HydrophobicContact CD1-CD2 3.7Å; L148-V426 HydrophobicContact CB-CG1 3.85Å; L148-V426 HydrophobicContact CD1-CG1 4.44Å
149L94.8Very high89.3Confident57 Ų5760.7 Ų60.730%0.29836%0.356SS..Hα-helixtrans-67.8-34.2178.2-67.2177.5000112.6R145 E146 L151 F152 P153 A155 F341R145-L149 HydrophobicContact CG-CD1 4.2Å; R145-L149 WeakPolarHBondContact O-CG 3.38Å; R145-L149 PolarHBondContact O-N 3.33Å; E146-L149 PolarHBondContact O-N 3.3Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 3.14Å; L149-F152 CarbonylContact O-C 3.06Å; L149-F152 PolarHBondContact O-N 3.28Å; L149-P153 WeakPolarHBondContact O-CA 3.41Å; L149-A155 HydrophobicContact CD2-CB 3.99Å; L149-A155 WeakPolarHBondContact CD2-O 3.36Å; L149-F341 HydrophobicContact CD2-CE1 4.35Å; L149-F341 HydrophobicContact CD2-CZ 4.33Å
150A95.2Very high89.3Confident75 Ų7564.2 Ų64.262%0.6237%0.369SS*.Hα-helixtrans-63.3-38.5174.200000112.2E146 K147 L148 F152E146-A150 WeakPolarHBondContact O-CB 3.36Å; E146-A150 PolarHBondContact O-N 3.24Å; K147-A150 PolarHBondContact O-N 2.94Å; L148-A150 PolarHBondContact O-N 2.87Å; A150-F152 VanDerWaalsContact C-N 3.32Å
151L95.2Very high89.4Confident38 Ų3861.8 Ų61.820%0.19936%0.36CS..Hα-helixtrans-72.4-25.6175.2-69.6179.6000113.4K147 L148 L149 L421 E424 V426K147-L151 WeakPolarHBondContact O-CG 3.3Å; K147-L151 PolarHBondContact O-N 3.42Å; L148-L151 PolarHBondContact O-N 3.05Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 3.14Å; L151-L421 HydrophobicContact CD1-CD2 4.1Å; L151-E424 HydrophobicContact CD1-CB 3.79Å; L151-E424 HydrophobicContact CD1-CG 3.87Å; L151-E424 HydrophobicContact CD2-CB 4.4Å; L151-E424 HydrophobicContact CD2-CG 3.99Å; L151-V426 HydrophobicContact CD1-CG2 3.43Å; L151-V426 VanDerWaalsContact CD1-CG2 3.43Å; L151-V426 HydrophobicContact CG-CG2 4.46Å
152F94.1Very high89.7Confident17 Ų1758.2 Ų58.28%0.07534%0.335CS..  trans-131.269.7-177.4-57.4-82.4000112.1L148 L149 A150 S154 A155 F341 F417 L421L148-F152 HydrophobicContact CD1-CD2 3.86Å; L148-F152 HydrophobicContact CD1-CE2 4.01Å; L148-F152 VanDerWaalsContact O-CD2 3.32Å; L148-F152 WeakPolarHBondContact O-CD2 3.39Å; L148-F152 PolarHBondContact O-N 2.88Å; L148-F152 VanDerWaalsContact O-N 3.14Å; L149-F152 CarbonylContact O-C 3.06Å; L149-F152 PolarHBondContact O-N 3.28Å; A150-F152 VanDerWaalsContact C-N 3.32Å; F152-S154 PolarHBondContact O-N 2.76Å; F152-A155 VanDerWaalsContact O-CB 3.3Å; F152-A155 WeakPolarHBondContact O-CB 3.45Å; F152-A155 PolarHBondContact O-N 3.12Å; F152-F341 HydrophobicContact CB-CD1 3.74Å; F152-F341 HydrophobicContact CB-CE1 4.06Å; F152-F341 AromaticContact CD2-CD1 4Å; F152-F341 HydrophobicContact CD2-CD1 4Å; F152-F341 AromaticContact CG-CD1 3.9Å; F152-F341 HydrophobicContact CG-CD1 3.9Å; F152-F417 HydrophobicContact CD2-CE2 4.31Å; F152-F417 HydrophobicContact CE1-CD2 4.41Å; F152-F417 HydrophobicContact CE1-CE2 4.18Å; F152-F417 HydrophobicContact CE2-CD2 4.24Å; F152-F417 AromaticContact CE2-CE2 3.49Å; F152-F417 HydrophobicContact CE2-CE2 3.49Å; F152-F417 VanDerWaalsContact CE2-CE2 3.49Å; F152-F417 HydrophobicContact CE2-CZ 4.32Å; F152-F417 AromaticContact CZ-CD2 3.72Å; F152-F417 HydrophobicContact CZ-CD2 3.72Å; F152-F417 AromaticContact CZ-CE2 3.4Å; F152-F417 HydrophobicContact CZ-CE2 3.4Å; F152-F417 VanDerWaalsContact CZ-CE2 3.4Å; F152-L421 HydrophobicContact CE2-CD2 4Å
153P87.8Confident90Very high103 Ų10351.4 Ų51.467%0.66931%0.31SS*.THydrogen-bonded Turntrans-59.7-25.1-173.2-25.835.1000114.7L149 A155L149-P153 WeakPolarHBondContact O-CA 3.41Å; P153-A155 PolarHBondContact O-N 2.64Å
154S84.5Confident90.1Very high62 Ų6249.1 Ų49.143%0.43430%0.301SS..THydrogen-bonded Turntrans-64.5-18175.556.60000114.1F152 S156 K343F152-S154 PolarHBondContact O-N 2.76Å; S154-S156 PolarHBondContact O-N 3.2Å; S154-K343 PolarHBondContact OG-NZ 3.01Å
155A82.6Confident90Very high1 Ų154.5 Ų54.51%0.00833%0.325CS..SBendtrans-78.735.7176.700000111.9L149 F152 P153 Q336 D340 F341L149-A155 HydrophobicContact CD2-CB 3.99Å; L149-A155 WeakPolarHBondContact CD2-O 3.36Å; F152-A155 VanDerWaalsContact O-CB 3.3Å; F152-A155 WeakPolarHBondContact O-CB 3.45Å; F152-A155 PolarHBondContact O-N 3.12Å; P153-A155 PolarHBondContact O-N 2.64Å; A155-Q336 HydrophobicContact CB-CG 4.16Å; A155-Q336 PolarHBondContact O-NE2 3.08Å; A155-Q336 VanDerWaalsContact O-NE2 3.08Å; A155-D340 HydrophobicContact CB-CB 3.65Å; A155-F341 HydrophobicContact CB-CD1 3.92Å; A155-F341 HydrophobicContact CB-CE1 3.28Å; A155-F341 HydrophobicContact CB-CZ 3.98Å
156S63.9Low89.8Confident102 Ų10257.8 Ų57.871%0.71334%0.344SS*.  trans-69.4130.2-174.860.20000111.2S154S154-S156 PolarHBondContact O-N 3.2Å
157G72.9Confident89.5Confident52 Ų5256.1 Ų56.154%0.53634%0.336SS..SBendtrans132.7141.8172.500000113.3V159G157-V159 PolarHBondContact O-N 3.45Å
158A81.1Confident89.3Confident94 Ų9458.1 Ų58.178%0.77736%0.357SS*.  trans-67.8119.4172.100000109.6
159V89.9Confident89.2Confident19 Ų1958.9 Ų58.912%0.11536%0.361CS..  trans-106.8121.6174.5177.60000107.9G157 D332 V333 L371G157-V159 PolarHBondContact O-N 3.45Å; V159-D332 HydrophobicContact CG1-CB 3.85Å; V159-V333 HydrophobicContact CG1-CG2 3.7Å; V159-L371 HydrophobicContact CB-CD1 4.5Å; V159-L371 HydrophobicContact CG1-CD1 4.28Å
160Q92.4Very high89.1Confident101 Ų10158.3 Ų58.347%0.47236%0.361SS..  trans-75.8134.5171.6-68.7-63.5-23.600109.4F162 N330Q160-F162 PolarHBondContact O-N 2.96Å; Q160-N330 WeakPolarHBondContact O-CB 3.21Å; Q160-N330 PolarHBondContact O-ND2 3.13Å; Q160-N330 VanDerWaalsContact O-ND2 3.09Å
161P95.2Very high89Confident19 Ų1960.6 Ų60.612%0.12336%0.362CS..SBendtrans-68.1-35.1-175.825.6-33.5000112.8N330 L368 L371 L372P161-N330 PolarHBondContact O-N 2.88Å; P161-L368 HydrophobicContact CB-CD1 3.48Å; P161-L368 VanDerWaalsContact CB-CD1 3.48Å; P161-L371 HydrophobicContact CB-CB 4.47Å; P161-L371 HydrophobicContact CB-CD1 4.26Å; P161-L372 HydrophobicContact CB-CD2 4.14Å; P161-L372 HydrophobicContact CG-CD2 4.01Å
162F96.4Very high88.9Confident16 Ų1664.4 Ų64.47%0.0737%0.374CS..EExtended strand (participates in β ladder)trans-130158.4-172.6-51.2-58.1000111.8Q160 W164 V282 R327 L328 L368 L372Q160-F162 PolarHBondContact O-N 2.96Å; F162-W164 HydrophobicContact CB-CZ2 4.07Å; F162-W164 HydrophobicContact CD2-CH2 4.41Å; F162-W164 AromaticContact CD2-CZ2 3.95Å; F162-W164 HydrophobicContact CD2-CZ2 3.95Å; F162-W164 HydrophobicContact CG-CZ2 4.49Å; F162-V282 HydrophobicContact CD1-CG1 4.47Å; F162-V282 HydrophobicContact CE1-CB 4.46Å; F162-V282 HydrophobicContact CE1-CG1 3.84Å; F162-V282 HydrophobicContact CE1-CG2 3.71Å; F162-V282 HydrophobicContact CZ-CG2 4.04Å; F162-R327 HydrophobicContact CD1-CB 3.74Å; F162-R327 HydrophobicContact CD1-CG 4.38Å; F162-R327 HydrophobicContact CD2-CG 4.35Å; F162-R327 HydrophobicContact CE1-CB 3.99Å; F162-R327 HydrophobicContact CE1-CG 4.47Å; F162-R327 HydrophobicContact CE2-CG 4.43Å; F162-R327 HydrophobicContact CG-CB 4.04Å; F162-R327 HydrophobicContact CG-CG 4.33Å; F162-R327 HydrophobicContact CZ-CB 4.49Å; F162-R327 HydrophobicContact CZ-CG 4.48Å; F162-L328 VanDerWaalsContact CA-O 3.28Å; F162-L328 WeakPolarHBondContact CA-O 3.21Å; F162-L368 HydrophobicContact CE1-CD1 3.88Å; F162-L368 HydrophobicContact CE1-CD2 4.16Å; F162-L368 HydrophobicContact CZ-CD1 3.89Å; F162-L368 HydrophobicContact CZ-CD2 4.35Å; F162-L372 HydrophobicContact CE2-CD2 4.11Å; F162-L372 HydrophobicContact CZ-CD1 4.19Å; F162-L372 HydrophobicContact CZ-CD2 4.49Å
163L95.6Very high88.9Confident12 Ų1263.6 Ų63.66%0.06337%0.371CS..EExtended strand (participates in β ladder)trans-97.9143.3166.9-57.7177.3000109.6L169 L173 F182 L193 L328 N330L163-L169 HydrophobicContact CD1-CD1 3.99Å; L163-L173 HydrophobicContact CD1-CD1 4.03Å; L163-L173 HydrophobicContact CD2-CD1 3.88Å; L163-F182 HydrophobicContact CD1-CE2 3.61Å; L163-F182 HydrophobicContact CD1-CZ 4.16Å; L163-L193 HydrophobicContact CB-CD2 3.76Å; L163-L328 HydrophobicContact CB-CD2 4.38Å; L163-L328 HydrophobicContact CD1-CD2 4.07Å; L163-L328 HydrophobicContact CD1-CG 4.44Å; L163-L328 PolarHBondContact N-O 3.14Å; L163-N330 HydrophobicContact CD2-CB 4.07Å; L163-N330 HydrophobicContact CG-CB 4.17Å
164W94.2Very high89.3Confident37 Ų3760.5 Ų60.514%0.1435%0.348CS..  trans-124.5157.8-172.6-56.1101.4000111.3F162 D166 Q167 P197 A199F162-W164 HydrophobicContact CB-CZ2 4.07Å; F162-W164 HydrophobicContact CD2-CH2 4.41Å; F162-W164 AromaticContact CD2-CZ2 3.95Å; F162-W164 HydrophobicContact CD2-CZ2 3.95Å; F162-W164 HydrophobicContact CG-CZ2 4.49Å; W164-D166 VanDerWaalsContact C-N 3.3Å; W164-D166 WeakPolarHBondContact CB-OD1 3.29Å; W164-D166 PolarHBondContact O-N 3.02Å; W164-Q167 HydrophobicContact CB-CG 4.3Å; W164-P197 HydrophobicContact CZ3-CG 4.17Å; W164-A199 HydrophobicContact CB-CB 4.01Å; W164-A199 HydrophobicContact CD2-CB 3.95Å; W164-A199 HydrophobicContact CE3-CB 4.46Å; W164-A199 HydrophobicContact CG-CB 3.73Å
165K93.4Very high89.7Confident118 Ų11862.9 Ų62.951%0.51336%0.355SS..THydrogen-bonded Turntrans-59.8-38.3-178175.5172.7175.7167.50114L193 T194 P197K165-L193 WeakPolarHBondContact CA-O 3.47Å; K165-L193 VanDerWaalsContact CB-O 3.25Å; K165-L193 WeakPolarHBondContact CB-O 3.2Å; K165-T194 PolarHBondContact NZ-O 2.85Å; K165-P197 PolarHBondContact N-O 3Å
166D89.8Confident90Very high96 Ų9665.9 Ų65.951%0.51337%0.367SS..THydrogen-bonded Turntrans-96.94.6-169.359.3-45.3000113.3W164 A198 A199W164-D166 VanDerWaalsContact C-N 3.3Å; W164-D166 WeakPolarHBondContact CB-OD1 3.29Å; W164-D166 PolarHBondContact O-N 3.02Å; D166-A198 HydrophobicContact CB-CB 4.42Å; D166-A198 WeakPolarHBondContact OD1-CA 3.49Å; D166-A199 PolarHBondContact OD1-N 3.29Å
167Q89.6Confident91.4Very high82 Ų8264.1 Ų64.138%0.38335%0.353SS..SBendtrans-108.4136.3177-66.1-170.8-15.400111.2W164 L169W164-Q167 HydrophobicContact CB-CG 4.3Å; Q167-L169 PolarHBondContact O-N 3.17Å
168P90.3Very high92.3Very high116 Ų11662.9 Ų62.975%0.75334%0.335SS*.  trans-64.9137.617727.6-33.7000110.1P170P168-P170 WeakPolarHBondContact O-CD 3.32Å
169L93.3Very high92.9Very high20 Ų2059 Ų5911%0.10530%0.302CS..  trans-67.9115.2176.5-172.669.5000109.5L163 Q167 D171 L173 L174 F182 K186 V189 L193L163-L169 HydrophobicContact CD1-CD1 3.99Å; Q167-L169 PolarHBondContact O-N 3.17Å; L169-D171 PolarHBondContact O-N 2.92Å; L169-L173 HydrophobicContact CD1-CD1 3.82Å; L169-L174 HydrophobicContact CD2-CD2 3.86Å; L169-F182 HydrophobicContact CD1-CD2 4.29Å; L169-F182 HydrophobicContact CD1-CE2 4.42Å; L169-K186 HydrophobicContact CD2-CG 4.47Å; L169-V189 HydrophobicContact CD1-CG1 4.02Å; L169-V189 HydrophobicContact CD2-CB 4.33Å; L169-V189 HydrophobicContact CD2-CG1 4.02Å; L169-L193 HydrophobicContact CD1-CD1 4.47Å
170P93.4Very high93.1Very high45 Ų4558.4 Ų58.429%0.29230%0.298SS..  trans-64.4133.6-176.6-23.535.1000112.1P168 R172 L173P168-P170 WeakPolarHBondContact O-CD 3.32Å; P170-R172 HydrophobicContact CB-CG 3.99Å; P170-R172 PolarHBondContact O-N 2.77Å; P170-L173 HydrophobicContact CB-CG 4.41Å; P170-L173 HydrophobicContact CG-CD1 4.43Å; P170-L173 WeakPolarHBondContact O-CB 3.34Å; P170-L173 PolarHBondContact O-N 2.89Å
171D93.8Very high93.2Very high122 Ų12253.6 Ų53.665%0.65228%0.276SS*.G310 helixtrans-56.3-30.3-178.6-70.6-34.2000113.2L169 L173 L174L169-D171 PolarHBondContact O-N 2.92Å; D171-L173 PolarHBondContact O-N 3.11Å; D171-L174 WeakPolarHBondContact O-CA 3.49Å; D171-L174 WeakPolarHBondContact O-CB 3.5Å; D171-L174 PolarHBondContact O-N 3.19Å
172R92.9Very high93.3Very high119 Ų11952.7 Ų52.745%0.44927%0.27SS..G310 helixtrans-58.5-29.5175.169.7-179.5-174.3-140.73.2113.2P170 L174 L175 D332P170-R172 HydrophobicContact CB-CG 3.99Å; P170-R172 PolarHBondContact O-N 2.77Å; R172-L174 PolarHBondContact O-N 2.98Å; R172-L175 HydrophobicContact CB-CD1 4.31Å; R172-L175 WeakPolarHBondContact O-CB 3.34Å; R172-L175 WeakPolarHBondContact O-CG 3.41Å; R172-L175 PolarHBondContact O-N 2.7Å; R172-D332 IonicContact CZ-OD2 2.83Å; R172-D332 VanDerWaalsContact CZ-OD2 3.26Å; R172-D332 IonicContact NE-OD1 2.79Å; R172-D332 IonicContact NE-OD2 3.91Å; R172-D332 PolarHBondContact NE-OD2 3.01Å; R172-D332 IonicContact NH2-OD2 3.26Å; R172-D332 PolarHBondContact NH2-OD2 2.83Å
173L94.7Very high93.2Very high0 Ų058.2 Ų58.20%029%0.294CS..G310 helixtrans-71.3-18.4175.3-62.7-173.6000111.8L163 L169 P170 D171 L175 G181 F182 P331 D332L163-L173 HydrophobicContact CD1-CD1 4.03Å; L163-L173 HydrophobicContact CD2-CD1 3.88Å; L169-L173 HydrophobicContact CD1-CD1 3.82Å; P170-L173 HydrophobicContact CB-CG 4.41Å; P170-L173 HydrophobicContact CG-CD1 4.43Å; P170-L173 WeakPolarHBondContact O-CB 3.34Å; P170-L173 PolarHBondContact O-N 2.89Å; D171-L173 PolarHBondContact O-N 3.11Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-G181 CarbonylContact O-C 3.54Å; L173-G181 WeakPolarHBondContact O-CA 3.43Å; L173-F182 HydrophobicContact CB-CD2 4.27Å; L173-F182 HydrophobicContact CD1-CE2 4.42Å; L173-F182 PolarHBondContact O-N 2.89Å; L173-P331 HydrophobicContact CD2-CB 4.31Å; L173-D332 WeakPolarHBondContact CD2-OD1 3.45Å
174L95.4Very high93.2Very high37 Ų3761.4 Ų61.419%0.19433%0.33CS..G310 helixtrans-88.7-1.3178.5-56.1177.6000113.2L169 D171 R172 F182 K183 K186L169-L174 HydrophobicContact CD2-CD2 3.86Å; D171-L174 WeakPolarHBondContact O-CA 3.49Å; D171-L174 WeakPolarHBondContact O-CB 3.5Å; D171-L174 PolarHBondContact O-N 3.19Å; R172-L174 PolarHBondContact O-N 2.98Å; L174-F182 HydrophobicContact CD2-CB 4.13Å; L174-K183 VanDerWaalsContact O-CA 3.3Å; L174-K183 WeakPolarHBondContact O-CA 3.34Å; L174-K183 VanDerWaalsContact O-CB 3.25Å; L174-K183 WeakPolarHBondContact O-CB 3.46Å; L174-K183 WeakPolarHBondContact O-CG 3.26Å; L174-K186 HydrophobicContact CD1-CB 4.33Å; L174-K186 HydrophobicContact CD1-CD 3.82Å; L174-K186 HydrophobicContact CD1-CG 4.19Å; L174-K186 HydrophobicContact CD2-CB 3.96Å; L174-K186 HydrophobicContact CD2-CG 4.38Å
175L91.9Very high93.3Very high112 Ų11260.8 Ų60.859%0.58633%0.329SS*.SBendtrans-77.4-31.5-177.9-63.1176.8000113.4R172 L173R172-L175 HydrophobicContact CB-CD1 4.31Å; R172-L175 WeakPolarHBondContact O-CB 3.34Å; R172-L175 WeakPolarHBondContact O-CG 3.41Å; R172-L175 PolarHBondContact O-N 2.7Å; L173-L175 VanDerWaalsContact C-N 3.34Å
176Y90.3Very high93.4Very high65 Ų6559.8 Ų59.826%0.25533%0.325SS..SBendtrans-119147.7-176.6-65-81.2000111.5F180 G181 F182 K183 P347Y176-F180 HydrophobicContact CG-CB 4.32Å; Y176-G181 CarbonylContact O-C 3.59Å; Y176-G181 WeakPolarHBondContact O-CA 3.15Å; Y176-F182 PolarHBondContact O-N 3.11Å; Y176-K183 VanDerWaalsContact C-CB 3.42Å; Y176-K183 VanDerWaalsContact O-CB 3.29Å; Y176-K183 WeakPolarHBondContact O-CB 3.37Å; Y176-K183 PolarHBondContact O-N 3.02Å; Y176-P347 HydrophobicContact CD1-CB 4.48Å; Y176-P347 HydrophobicContact CD1-CG 4.27Å
177P91.8Very high93.7Very high65 Ų6557 Ų5742%0.42232%0.318SS..  trans-68.8167.3169.532.2-35.5000110.8F180 G181P177-F180 PolarHBondContact O-N 2.69Å; P177-G181 CarbonylContact C-O 3.6Å; P177-G181 PolarHBondContact O-N 2.7Å; P177-G181 VanDerWaalsContact O-N 3.14Å
178P92.9Very high94Very high25 Ų2557 Ų5716%0.16232%0.317CS..THydrogen-bonded Turntrans-50.8146.4166.9-28.736.9000112G181 L185 I285 Y286P178-G181 VanDerWaalsContact CA-O 3.26Å; P178-G181 WeakPolarHBondContact CA-O 3.49Å; P178-G181 WeakPolarHBondContact CD-O 3.32Å; P178-G181 WeakPolarHBondContact CG-O 3.35Å; P178-L185 HydrophobicContact CG-CD1 3.57Å; P178-I285 HydrophobicContact CB-CG2 4.34Å; P178-I285 HydrophobicContact CG-CG2 4.3Å; P178-Y286 VanDerWaalsContact CB-O 3.3Å; P178-Y286 WeakPolarHBondContact CB-O 3.3Å
179P94.1Very high94.3Very high12 Ų1251.4 Ų51.48%0.07828%0.281CS..THydrogen-bonded Turncis-86.54.3-0.835.9-36.2000114.5I285 Y286 I334 V358P179-I285 WeakPolarHBondContact CA-O 3.04Å; P179-I285 WeakPolarHBondContact CB-O 3.37Å; P179-Y286 HydrophobicContact CB-CD1 3.69Å; P179-Y286 HydrophobicContact CB-CE1 4Å; P179-Y286 HydrophobicContact CB-CG 4.44Å; P179-Y286 HydrophobicContact CG-CD1 3.94Å; P179-Y286 HydrophobicContact CG-CE1 4.18Å; P179-I334 HydrophobicContact CB-CD1 4.19Å; P179-I334 HydrophobicContact CB-CG2 4.39Å; P179-I334 HydrophobicContact CG-CG2 4.43Å; P179-I334 WeakPolarHBondContact O-CD1 3.47Å; P179-V358 HydrophobicContact CG-CG1 3.85Å; P179-V358 HydrophobicContact CG-CG2 3.94Å
180F93.9Very high94.5Very high7 Ų754.3 Ų54.33%0.03129%0.294CS..SBendtrans-89.5-5.3-175.5-56.2-70.1000114.3Y176 P177 I334 R335 A338 P347 N357 V358Y176-F180 HydrophobicContact CG-CB 4.32Å; P177-F180 PolarHBondContact O-N 2.69Å; F180-I334 HydrophobicContact CD1-CG2 4.07Å; F180-I334 HydrophobicContact CE1-CG2 4.02Å; F180-R335 HydrophobicContact CD1-CB 4.35Å; F180-A338 HydrophobicContact CE1-CB 3.65Å; F180-A338 HydrophobicContact CZ-CB 4.43Å; F180-P347 HydrophobicContact CD2-CB 4.2Å; F180-P347 HydrophobicContact CD2-CG 3.34Å; F180-P347 HydrophobicContact CE2-CB 4.29Å; F180-P347 HydrophobicContact CE2-CG 3.48Å; F180-P347 VanDerWaalsContact CE2-CG 3.48Å; F180-P347 HydrophobicContact CG-CG 3.94Å; F180-P347 HydrophobicContact CZ-CG 4.18Å; F180-N357 VanDerWaalsContact CZ-O 3.3Å; F180-N357 WeakPolarHBondContact CZ-O 3.31Å; F180-V358 HydrophobicContact CE2-CG2 4.11Å; F180-V358 HydrophobicContact CZ-CG2 3.99Å
181G94.7Very high94.6Very high0 Ų057.4 Ų57.40%031%0.308CS..  trans177-159.2-178.900000111.8L173 Y176 P177 P178L173-G181 CarbonylContact O-C 3.54Å; L173-G181 WeakPolarHBondContact O-CA 3.43Å; Y176-G181 CarbonylContact O-C 3.59Å; Y176-G181 WeakPolarHBondContact O-CA 3.15Å; P177-G181 CarbonylContact C-O 3.6Å; P177-G181 PolarHBondContact O-N 2.7Å; P177-G181 VanDerWaalsContact O-N 3.14Å; P178-G181 VanDerWaalsContact CA-O 3.26Å; P178-G181 WeakPolarHBondContact CA-O 3.49Å; P178-G181 WeakPolarHBondContact CD-O 3.32Å; P178-G181 WeakPolarHBondContact CG-O 3.35Å
182F96.3Very high94.7Very high1 Ų151.6 Ų51.60%0.00428%0.277CS..  trans-134.532.5-174.5-56.4-61.9000112.6L163 L169 L173 L174 Y176 G184 L185 V189 I285 L328 P331L163-F182 HydrophobicContact CD1-CE2 3.61Å; L163-F182 HydrophobicContact CD1-CZ 4.16Å; L169-F182 HydrophobicContact CD1-CD2 4.29Å; L169-F182 HydrophobicContact CD1-CE2 4.42Å; L173-F182 HydrophobicContact CB-CD2 4.27Å; L173-F182 HydrophobicContact CD1-CE2 4.42Å; L173-F182 PolarHBondContact O-N 2.89Å; L174-F182 HydrophobicContact CD2-CB 4.13Å; Y176-F182 PolarHBondContact O-N 3.11Å; F182-G184 PolarHBondContact O-N 2.76Å; F182-G184 VanDerWaalsContact O-N 3.13Å; F182-L185 HydrophobicContact CB-CB 4.29Å; F182-L185 PolarHBondContact O-N 3.14Å; F182-V189 HydrophobicContact CB-CG2 3.81Å; F182-V189 HydrophobicContact CD1-CG2 3.51Å; F182-V189 HydrophobicContact CD2-CG1 4.13Å; F182-V189 HydrophobicContact CD2-CG2 3.95Å; F182-V189 HydrophobicContact CE1-CG2 3.97Å; F182-V189 HydrophobicContact CE2-CG1 4.09Å; F182-V189 HydrophobicContact CE2-CG2 4.35Å; F182-V189 HydrophobicContact CG-CG2 3.5Å; F182-V189 HydrophobicContact CZ-CG1 4.46Å; F182-V189 HydrophobicContact CZ-CG2 4.36Å; F182-I285 HydrophobicContact CE1-CB 4.05Å; F182-I285 HydrophobicContact CE1-CG1 4.12Å; F182-I285 HydrophobicContact CE1-CG2 4.09Å; F182-L328 HydrophobicContact CZ-CD2 4.41Å; F182-P331 HydrophobicContact CD2-CG 4.11Å; F182-P331 HydrophobicContact CE1-CG 4.06Å; F182-P331 HydrophobicContact CE2-CG 3.4Å; F182-P331 HydrophobicContact CZ-CG 3.36Å
183K94.6Very high94.9Very high131 Ų13146.4 Ų46.457%0.5726%0.258SS*.THydrogen-bonded Turntrans-50.7122176.6-176.1175.7-176.4171.40110.8L174 Y176 L185L174-K183 VanDerWaalsContact O-CA 3.3Å; L174-K183 WeakPolarHBondContact O-CA 3.34Å; L174-K183 VanDerWaalsContact O-CB 3.25Å; L174-K183 WeakPolarHBondContact O-CB 3.46Å; L174-K183 WeakPolarHBondContact O-CG 3.26Å; Y176-K183 VanDerWaalsContact C-CB 3.42Å; Y176-K183 VanDerWaalsContact O-CB 3.29Å; Y176-K183 WeakPolarHBondContact O-CB 3.37Å; Y176-K183 PolarHBondContact O-N 3.02Å; K183-L185 VanDerWaalsContact C-N 3.29Å; K183-L185 PolarHBondContact O-N 2.77Å
184G94.8Very high95Very high80 Ų8049.9 Ų49.983%0.82528%0.28SS*.THydrogen-bonded Turntrans77.55.5-178.500000115.4F182F182-G184 PolarHBondContact O-N 2.76Å; F182-G184 VanDerWaalsContact O-N 3.13Å
185L96.4Very high95Very high24 Ų2449.9 Ų49.913%0.12628%0.28CS..  trans-12110.7-175.8-57.7177.7000113.8P178 F182 K183 G187 K188 V189 S288 L291P178-L185 HydrophobicContact CG-CD1 3.57Å; F182-L185 HydrophobicContact CB-CB 4.29Å; F182-L185 PolarHBondContact O-N 3.14Å; K183-L185 VanDerWaalsContact C-N 3.29Å; K183-L185 PolarHBondContact O-N 2.77Å; L185-G187 PolarHBondContact O-N 2.78Å; L185-K188 HydrophobicContact CD2-CD 4.48Å; L185-K188 PolarHBondContact O-N 2.8Å; L185-V189 HydrophobicContact CB-CG2 4.41Å; L185-V189 WeakPolarHBondContact O-CG2 3.33Å; L185-V189 PolarHBondContact O-N 3.17Å; L185-S288 VanDerWaalsContact CD2-OG 3.28Å; L185-S288 WeakPolarHBondContact CD2-OG 3.31Å; L185-L291 HydrophobicContact CB-CD1 4.16Å; L185-L291 HydrophobicContact CD1-CD1 4.07Å
186K95.9Very high95.2Very high96 Ų9644.9 Ų44.942%0.41725%0.254SS..Hα-helixtrans-44.6-57.7-175.3-177176.9179169.30113L169 L174 K188 V189 E190L169-K186 HydrophobicContact CD2-CG 4.47Å; L174-K186 HydrophobicContact CD1-CB 4.33Å; L174-K186 HydrophobicContact CD1-CD 3.82Å; L174-K186 HydrophobicContact CD1-CG 4.19Å; L174-K186 HydrophobicContact CD2-CB 3.96Å; L174-K186 HydrophobicContact CD2-CG 4.38Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.18Å; K186-V189 PolarHBondContact O-N 2.83Å; K186-V189 VanDerWaalsContact O-N 3.14Å; K186-E190 WeakPolarHBondContact CE-OE1 3.43Å; K186-E190 HydrophobicContact CG-CG 4.37Å; K186-E190 IonicContact NZ-OE1 3.89Å; K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.28Å
187G96.1Very high95.3Very high37 Ų3743.1 Ų43.138%0.38125%0.25SS..Hα-helixtrans-63.2-34.3-17800000114.3L185 N191L185-G187 PolarHBondContact O-N 2.78Å; G187-N191 WeakPolarHBondContact O-CB 3.43Å; G187-N191 PolarHBondContact O-N 2.67Å; G187-N191 PolarHBondContact O-ND2 3.31Å
188K95.9Very high95.2Very high82 Ų8242.1 Ų42.136%0.35725%0.247SC..Hα-helixtrans-66.8-41.5174.8-76.4-165.1175-166.20111.5L185 K186 L192 S288 L291 S292L185-K188 HydrophobicContact CD2-CD 4.48Å; L185-K188 PolarHBondContact O-N 2.8Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.18Å; K188-L192 PolarHBondContact O-N 2.98Å; K188-S288 PolarHBondContact NZ-OG 2.85Å; K188-L291 HydrophobicContact CB-CD1 3.86Å; K188-L291 HydrophobicContact CD-CD1 4.49Å; K188-S292 PolarHBondContact NZ-OG 3.08Å
189V97.4Very high94.7Very high0 Ų041.8 Ų41.80%025%0.246CC..Hα-helixtrans-67.5-48.2178.7176.80000110.3L169 F182 L185 K186 N191 L192 L193 L291 L328L169-V189 HydrophobicContact CD1-CG1 4.02Å; L169-V189 HydrophobicContact CD2-CB 4.33Å; L169-V189 HydrophobicContact CD2-CG1 4.02Å; F182-V189 HydrophobicContact CB-CG2 3.81Å; F182-V189 HydrophobicContact CD1-CG2 3.51Å; F182-V189 HydrophobicContact CD2-CG1 4.13Å; F182-V189 HydrophobicContact CD2-CG2 3.95Å; F182-V189 HydrophobicContact CE1-CG2 3.97Å; F182-V189 HydrophobicContact CE2-CG1 4.09Å; F182-V189 HydrophobicContact CE2-CG2 4.35Å; F182-V189 HydrophobicContact CG-CG2 3.5Å; F182-V189 HydrophobicContact CZ-CG1 4.46Å; F182-V189 HydrophobicContact CZ-CG2 4.36Å; L185-V189 HydrophobicContact CB-CG2 4.41Å; L185-V189 WeakPolarHBondContact O-CG2 3.33Å; L185-V189 PolarHBondContact O-N 3.17Å; K186-V189 PolarHBondContact O-N 2.83Å; K186-V189 VanDerWaalsContact O-N 3.14Å; V189-N191 VanDerWaalsContact C-N 3.31Å; V189-N191 PolarHBondContact O-N 2.85Å; V189-L192 WeakPolarHBondContact O-CB 3.49Å; V189-L192 PolarHBondContact O-N 3.1Å; V189-L192 VanDerWaalsContact O-N 3.09Å; V189-L193 HydrophobicContact CG1-CD1 4.18Å; V189-L193 HydrophobicContact CG1-CG 4.23Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 3.26Å; V189-L291 HydrophobicContact CG2-CD1 3.71Å; V189-L291 HydrophobicContact CG2-CD2 4.02Å; V189-L328 HydrophobicContact CG1-CD2 4.4Å
190E96.3Very high93.4Very high80 Ų8045.6 Ų45.637%0.37427%0.266SS..Hα-helixtrans-56.9-45.1177-72.5172.2157.800111.3K186 L192 L193 T194K186-E190 WeakPolarHBondContact CE-OE1 3.43Å; K186-E190 HydrophobicContact CG-CG 4.37Å; K186-E190 IonicContact NZ-OE1 3.89Å; K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.28Å; E190-L192 PolarHBondContact O-N 3.42Å; E190-L193 PolarHBondContact O-N 3.01Å; E190-T194 VanDerWaalsContact O-CG2 3.32Å; E190-T194 WeakPolarHBondContact O-CG2 3.33Å; E190-T194 PolarHBondContact O-N 3.47Å; E190-T194 VanDerWaalsContact O-N 3.16Å
191N96.1Very high91.4Very high110 Ų11050.9 Ų50.959%0.58830%0.301SS*.Hα-helixtrans-59.1-43.9174.8-73.8-17.3000112.5G187 V189 T194G187-N191 WeakPolarHBondContact O-CB 3.43Å; G187-N191 PolarHBondContact O-N 2.67Å; G187-N191 PolarHBondContact O-ND2 3.31Å; V189-N191 VanDerWaalsContact C-N 3.31Å; V189-N191 PolarHBondContact O-N 2.85Å; N191-T194 PolarHBondContact O-N 3.37Å; N191-T194 PolarHBondContact O-OG1 3.12Å
192L97.1Very high88.9Confident0 Ų057.1 Ų57.10%033%0.334CS..Hα-helixtrans-63.7-43.7175.9171.858.8000111.6K188 V189 E190 T194 L195 L291 I294 I298 L328K188-L192 PolarHBondContact O-N 2.98Å; V189-L192 WeakPolarHBondContact O-CB 3.49Å; V189-L192 PolarHBondContact O-N 3.1Å; V189-L192 VanDerWaalsContact O-N 3.09Å; E190-L192 PolarHBondContact O-N 3.42Å; L192-T194 PolarHBondContact O-N 3.46Å; L192-L195 WeakPolarHBondContact O-CB 3.38Å; L192-L195 PolarHBondContact O-N 3.09Å; L192-L291 HydrophobicContact CD2-CD2 3.61Å; L192-I294 HydrophobicContact CD1-CB 4.33Å; L192-I294 HydrophobicContact CD1-CG2 3.66Å; L192-I294 HydrophobicContact CD2-CB 4.33Å; L192-I294 HydrophobicContact CD2-CG2 4.08Å; L192-I298 HydrophobicContact CD1-CD1 3.69Å; L192-L328 HydrophobicContact CD2-CD1 4.33Å; L192-L328 HydrophobicContact CD2-CD2 4.18Å
193L96.6Very high86.4Confident10 Ų1061 Ų615%0.05236%0.358CS..Hα-helixtrans-57.7-33.1178.8-69.1179.2000111.8L163 K165 L169 V189 E190 L195 L196 L328L163-L193 HydrophobicContact CB-CD2 3.76Å; K165-L193 WeakPolarHBondContact CA-O 3.47Å; K165-L193 VanDerWaalsContact CB-O 3.25Å; K165-L193 WeakPolarHBondContact CB-O 3.2Å; L169-L193 HydrophobicContact CD1-CD1 4.47Å; V189-L193 HydrophobicContact CG1-CD1 4.18Å; V189-L193 HydrophobicContact CG1-CG 4.23Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 3.26Å; E190-L193 PolarHBondContact O-N 3.01Å; L193-L195 PolarHBondContact O-N 2.78Å; L193-L195 VanDerWaalsContact O-N 3.14Å; L193-L196 HydrophobicContact CD2-CD1 3.87Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-L196 VanDerWaalsContact O-N 3.12Å; L193-L328 HydrophobicContact CD2-CD2 3.88Å
194T95.9Very high83.8Confident73 Ų7356.3 Ų56.345%0.44835%0.347SS..THydrogen-bonded Turntrans-61.1-23176.272.50000114.5K165 E190 N191 L192K165-T194 PolarHBondContact NZ-O 2.85Å; E190-T194 VanDerWaalsContact O-CG2 3.32Å; E190-T194 WeakPolarHBondContact O-CG2 3.33Å; E190-T194 PolarHBondContact O-N 3.47Å; E190-T194 VanDerWaalsContact O-N 3.16Å; N191-T194 PolarHBondContact O-N 3.37Å; N191-T194 PolarHBondContact O-OG1 3.12Å; L192-T194 PolarHBondContact O-N 3.46Å
195L96.4Very high81.5Confident37 Ų3758.2 Ų58.219%0.19434%0.344CS..THydrogen-bonded Turntrans-91-14.6-179.5-52.5176.7000113.1L192 L193 I298 R299L192-L195 WeakPolarHBondContact O-CB 3.38Å; L192-L195 PolarHBondContact O-N 3.09Å; L193-L195 PolarHBondContact O-N 2.78Å; L193-L195 VanDerWaalsContact O-N 3.14Å; L195-I298 HydrophobicContact CB-CD1 4.32Å; L195-I298 HydrophobicContact CB-CG2 3.92Å; L195-R299 HydrophobicContact CD1-CG 4.1Å; L195-R299 HydrophobicContact CD2-CG 4.44Å
196L95.3Very high78.8Confident8 Ų865.1 Ų65.14%0.04238%0.376CS..SBendtrans-84.8160.2-179.6-65.4-179.3000110.9L193 I298 F326 L328L193-L196 HydrophobicContact CD2-CD1 3.87Å; L193-L196 PolarHBondContact O-N 3.24Å; L193-L196 VanDerWaalsContact O-N 3.12Å; L196-I298 HydrophobicContact CD2-CD1 3.74Å; L196-F326 HydrophobicContact CD2-CB 3.73Å; L196-L328 HydrophobicContact CD1-CB 3.55Å
197P92.1Very high76.3Confident28 Ų2867.8 Ų67.818%0.18239%0.39CS..PPolyproline II helixtrans-61153.117125.6-33.8000111.2W164 K165W164-P197 HydrophobicContact CZ3-CG 4.17Å; K165-P197 PolarHBondContact N-O 3Å
198A89.8Confident74Confident43 Ų4369.4 Ų69.436%0.35540%0.4SS..PPolyproline II helixtrans-62.3158.2162.700000109.6D166 N200D166-A198 HydrophobicContact CB-CB 4.42Å; D166-A198 WeakPolarHBondContact OD1-CA 3.49Å; A198-N200 PolarHBondContact O-N 3.05Å
199A83Confident71.8Confident18 Ų1869.2 Ų69.215%0.14941%0.409CS..PPolyproline II helixtrans-55.8124162.900000107W164 D166 P201W164-A199 HydrophobicContact CB-CB 4.01Å; W164-A199 HydrophobicContact CD2-CB 3.95Å; W164-A199 HydrophobicContact CE3-CB 4.46Å; W164-A199 HydrophobicContact CG-CB 3.73Å; D166-A199 PolarHBondContact OD1-N 3.29Å; A199-P201 WeakPolarHBondContact O-CD 3.45Å
200N67.8Low69.8Low93 Ų9379 Ų7950%0.49746%0.455SS..  trans-73.1111.6167.9-91.6-3.6000106.6A198 D202 V203A198-N200 PolarHBondContact O-N 3.05Å; N200-D202 PolarHBondContact O-N 3.39Å; N200-V203 HydrophobicContact CB-CB 3.71Å; N200-V203 HydrophobicContact CB-CG2 3.83Å; N200-V203 CarbonylContact O-C 3.57Å; N200-V203 VanDerWaalsContact O-C 3.29Å; N200-V203 PolarHBondContact O-N 3.22Å; N200-V203 VanDerWaalsContact O-N 3.08Å
201P50.6Low68.9Low117 Ų11782.9 Ų82.976%0.7647%0.47SS*.G310 helixtrans-61.9-29.4173.225.9-33.2000111.3A199 V203A199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-V203 VanDerWaalsContact C-N 3.32Å
202D42.4Very low68.5Low131 Ų13178.7 Ų78.770%0.70145%0.449SS*.G310 helixtrans-78.6-14.3176.3-62.1-32.4000113.4N200N200-D202 PolarHBondContact O-N 3.39Å
203V44.8Very low68.3Low84 Ų8484.2 Ų84.251%0.50947%0.47SS..G310 helixtrans-116.456.5173-166.70000108.4N200 P201N200-V203 HydrophobicContact CB-CB 3.71Å; N200-V203 HydrophobicContact CB-CG2 3.83Å; N200-V203 CarbonylContact O-C 3.57Å; N200-V203 VanDerWaalsContact O-C 3.29Å; N200-V203 PolarHBondContact O-N 3.22Å; N200-V203 VanDerWaalsContact O-N 3.08Å; P201-V203 VanDerWaalsContact C-N 3.32Å
204G39Very low68.4Low32 Ų3285.1 Ų85.133%0.3347%0.473SS..SBendtrans-62.2-177.2152.800000110.4E206G204-E206 PolarHBondContact O-N 3.36Å
205P45.7Very low68.4Low119 Ų11981.7 Ų81.777%0.77345%0.452SS*.THydrogen-bonded Turntrans-58.914.8159.5-1529.1000113.8
206E40.6Very low68.6Low169 Ų16979.9 Ų79.979%0.7944%0.442SS*.THydrogen-bonded Turntrans-125.16.8-160.9-100.6-173.7167.300114.8G204 A208G204-E206 PolarHBondContact O-N 3.36Å; E206-A208 PolarHBondContact O-N 3.49Å; E206-A208 VanDerWaalsContact O-N 3.08Å
207E43.5Very low68.7Low153 Ų15379.5 Ų79.572%0.71544%0.44SS*.  trans-78.451.2136.2-79.4-163.2179.600108.9S209E207-S209 PolarHBondContact O-N 3.43Å
208A47.7Very low69Low71 Ų7178.3 Ų78.359%0.58743%0.432SS*.  trans-65.982154.100000105.5E206 E210E206-A208 PolarHBondContact O-N 3.49Å; E206-A208 VanDerWaalsContact O-N 3.08Å; A208-E210 PolarHBondContact O-N 3.46Å
209S49.7Very low69.4Low77 Ų7776.4 Ų76.454%0.53842%0.417SS..  trans-37.9134.3142.2172.30000106.5E207 K211E207-S209 PolarHBondContact O-N 3.43Å; S209-K211 PolarHBondContact O-N 3.31Å
210E55.5Low70.1Confident207 Ų20776.5 Ų76.597%0.96742%0.415SS*.SBendtrans-56.211.1179.6-61-172.2145.800114.3A208A208-E210 PolarHBondContact O-N 3.46Å
211K76.6Confident71.4Confident161 Ų16172.4 Ų72.470%0.740%0.395SS*.SBendtrans-110.8119.5-175.8-59.8-177.8-177.5179.20110S209 R213S209-K211 PolarHBondContact O-N 3.31Å; K211-R213 PolarHBondContact O-N 2.89Å
212C89.3Confident73.4Confident22 Ų2267 Ų6715%0.14936%0.36CS..  trans-54.7129.5175.2176.80000112.7C139 H140 H237 D374C139-C212 HydrophobicContact CB-CB 3.38Å; C139-C212 WeakPolarHBondContact CB-SG 3.5Å; C139-C212 WeakPolarHBondContact SG-CB 3.24Å; C139-C212 CovalentContact SG-SG 2Å; C139-C212 PolarHBondContact SG-SG 3.34Å; H140-C212 PolarHBondContact N-SG 3.49Å; C212-H237 PolarHBondContact O-CE1 3.49Å; C212-D374 WeakPolarHBondContact CA-OD2 2.99Å; C212-D374 WeakPolarHBondContact SG-CB 3.43Å
213R92.9Very high75.8Confident115 Ų11562.5 Ų62.543%0.43434%0.337SS..  trans-94.6113.2-173.3-170.3175.6-177.1159.8-0.7111.5K211 H237 T238 D374 E375K211-R213 PolarHBondContact O-N 2.89Å; R213-H237 HydrophobicContact CG-CB 3.96Å; R213-T238 PolarHBondContact NE-OG1 3.24Å; R213-T238 PolarHBondContact NH2-OG1 2.86Å; R213-D374 PolarHBondContact N-OD2 3.12Å; R213-D374 PolarHBondContact O-N 3.22Å; R213-E375 PolarHBondContact O-N 2.94Å
214R97Very high78.3Confident30 Ų3058.5 Ų58.511%0.11331%0.313CS..EExtended strand (participates in β ladder)trans-90.7130.7171.2-62.5-166.9169.5103.7-3.3112.9L135 G137 C139 F236 H237 T238 E375L135-R214 PolarHBondContact O-NH1 3.13Å; L135-R214 VanDerWaalsContact O-NH1 3.08Å; G137-R214 PolarHBondContact O-NH2 3.08Å; C139-R214 VanDerWaalsContact CA-NH2 3.33Å; C139-R214 VanDerWaalsContact N-NH2 3.13Å; R214-F236 HydrophobicContact CB-CD1 3.91Å; R214-F236 HydrophobicContact CB-CE1 4.31Å; R214-H237 PolarHBondContact N-ND1 3.03Å; R214-H237 WeakPolarHBondContact O-CB 3.44Å; R214-H237 PolarHBondContact O-N 3.33Å; R214-T238 PolarHBondContact O-N 3.29Å; R214-E375 HydrophobicContact CG-CB 4.45Å; R214-E375 IonicContact NE-OE2 3.6Å; R214-E375 PolarHBondContact NE-OE2 3.06Å; R214-E375 IonicContact NH2-OE2 4Å
215C97.9Very high80.9Confident0 Ų060.5 Ų60.50%031%0.313CS..EExtended strand (participates in β ladder)trans-120.8145.9176.2-62.50000111.4T238 C373 E375 S377C215-T238 VanDerWaalsContact CA-O 3.28Å; C215-T238 WeakPolarHBondContact CA-O 3.49Å; C215-T238 WeakPolarHBondContact SG-CB 3.28Å; C215-C373 HydrophobicContact CB-CB 3.6Å; C215-C373 WeakPolarHBondContact CB-SG 3.39Å; C215-C373 WeakPolarHBondContact SG-CB 3.48Å; C215-C373 CovalentContact SG-SG 1.98Å; C215-C373 PolarHBondContact SG-SG 3.05Å; C215-E375 PolarHBondContact N-O 3Å; C215-S377 PolarHBondContact O-N 3.01Å
216V98.8Very high83.2Confident0 Ų056.2 Ų56.20%029%0.291CS..EExtended strand (participates in β ladder)trans-120.4129.6169.762.10000109.2V218 I233 F236 T238 I239 I240 S377 A379 L430V216-V218 HydrophobicContact CG1-CG2 4.26Å; V216-V218 HydrophobicContact CG2-CG2 4.13Å; V216-I233 HydrophobicContact CG1-CG2 4.15Å; V216-F236 HydrophobicContact CB-CB 4.29Å; V216-F236 HydrophobicContact CB-CD1 3.74Å; V216-F236 HydrophobicContact CB-CD2 3.93Å; V216-F236 HydrophobicContact CB-CE1 3.99Å; V216-F236 HydrophobicContact CB-CE2 4.16Å; V216-F236 HydrophobicContact CB-CG 3.71Å; V216-F236 HydrophobicContact CB-CZ 4.2Å; V216-F236 HydrophobicContact CG1-CB 3.66Å; V216-F236 HydrophobicContact CG1-CD1 4.08Å; V216-F236 HydrophobicContact CG1-CD2 3.72Å; V216-F236 HydrophobicContact CG1-CE2 4.39Å; V216-F236 HydrophobicContact CG1-CG 3.54Å; V216-T238 PolarHBondContact N-O 2.94Å; V216-I239 HydrophobicContact CG1-CB 4.22Å; V216-I239 HydrophobicContact CG1-CG1 3.76Å; V216-I239 HydrophobicContact CG1-CG2 4.18Å; V216-I240 PolarHBondContact O-N 3.14Å; V216-S377 CarbonylContact C-O 3.56Å; V216-S377 VanDerWaalsContact CA-O 3.29Å; V216-S377 WeakPolarHBondContact CA-O 3.37Å; V216-A379 HydrophobicContact CG2-CB 4.13Å; V216-L430 HydrophobicContact CG2-CD1 3.8Å
217V98.8Very high85.8Confident0 Ų048.2 Ų48.20%025%0.253CS..EExtended strand (participates in β ladder)trans-95118.7165.5-170.70000107.3I240 L242 A365 A369 V376 S377 L378 A379 F381V217-I240 WeakPolarHBondContact CA-O 3.42Å; V217-I240 HydrophobicContact CG1-CB 4.43Å; V217-I240 HydrophobicContact CG1-CG2 4.36Å; V217-I240 HydrophobicContact CG2-CB 4.31Å; V217-I240 HydrophobicContact CG2-CD1 4.17Å; V217-L242 HydrophobicContact CG1-CD1 4.06Å; V217-L242 HydrophobicContact CG1-CD2 4.23Å; V217-L242 HydrophobicContact CG1-CG 4.29Å; V217-A365 HydrophobicContact CG1-CB 3.77Å; V217-A369 HydrophobicContact CG2-CB 3.77Å; V217-V376 HydrophobicContact CG2-CG1 4.37Å; V217-S377 PolarHBondContact N-O 3.03Å; V217-L378 HydrophobicContact CB-CD2 3.64Å; V217-L378 HydrophobicContact CG2-CD2 3.96Å; V217-L378 WeakPolarHBondContact O-CA 3.25Å; V217-A379 PolarHBondContact O-N 2.94Å; V217-F381 HydrophobicContact CB-CE2 4.12Å; V217-F381 HydrophobicContact CB-CZ 4.27Å; V217-F381 HydrophobicContact CG1-CE2 3.87Å; V217-F381 HydrophobicContact CG1-CZ 3.73Å; V217-F381 WeakPolarHBondContact O-CE2 3.38Å
218V98.7Very high88.3Confident2 Ų246 Ų461%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-98.4104.4178.6-172.50000107.8V216 L224 I233 I239 I240 R241 A379V216-V218 HydrophobicContact CG1-CG2 4.26Å; V216-V218 HydrophobicContact CG2-CG2 4.13Å; V218-L224 HydrophobicContact CG1-CD1 3.94Å; V218-I233 HydrophobicContact CG2-CG2 3.96Å; V218-I239 HydrophobicContact CG2-CG2 3.98Å; V218-I240 PolarHBondContact N-O 3.03Å; V218-R241 HydrophobicContact CB-CG 4.42Å; V218-A379 CarbonylContact C-O 3.37Å; V218-A379 WeakPolarHBondContact CA-O 3.43Å
219G97.7Very high90.7Very high4 Ų442.6 Ų42.64%0.04122%0.215CC..  trans-72173.7170.200000111.4L224 A379G219-L224 WeakPolarHBondContact O-CD1 3.36Å; G219-A379 PolarHBondContact N-O 2.74Å
220N96.6Very high93Very high20 Ų2039 Ų3911%0.10719%0.19CC..  trans-94.53.5-177.1-69.9-15.3000113.8L242 G245 H393 Y394 Y395N220-L242 PolarHBondContact ND2-O 3.15Å; N220-L242 VanDerWaalsContact ND2-O 3.12Å; N220-L242 PolarHBondContact OD1-O 3.07Å; N220-G245 WeakPolarHBondContact OD1-CA 3.36Å; N220-H393 CarbonylContact O-C 3.12Å; N220-H393 WeakPolarHBondContact O-CA 3.48Å; N220-H393 WeakPolarHBondContact O-CB 3.45Å; N220-Y394 HydrophobicContact CB-CE1 4.41Å; N220-Y394 VanDerWaalsContact O-CD1 3.32Å; N220-Y394 WeakPolarHBondContact O-CD1 3Å; N220-Y394 PolarHBondContact O-N 3.01Å; N220-Y394 VanDerWaalsContact O-N 3.15Å; N220-Y395 HydrophobicContact CB-CE1 3.96Å
221G95.1Very high95.1Very high7 Ų737.1 Ų37.17%0.07218%0.181CC..BIsolated β-bridgetrans-58.7141.6-17100000114.2V223 L224 G380 L392G221-V223 PolarHBondContact O-N 2.89Å; G221-V223 VanDerWaalsContact O-N 3.08Å; G221-L224 PolarHBondContact O-N 3.19Å; G221-G380 WeakPolarHBondContact CA-O 3.42Å; G221-G380 PolarHBondContact N-O 3.45Å; G221-L392 CarbonylContact C-O 3.58Å; G221-L392 WeakPolarHBondContact CA-O 3.19Å
222G93.8Very high96.1Very high2 Ų231 Ų312%0.02116%0.155CC..G310 helixtrans-59.9-17.617800000114.9L224 K225 P391 L392 H393G222-L224 PolarHBondContact O-N 2.97Å; G222-L224 VanDerWaalsContact O-N 3.08Å; G222-K225 VanDerWaalsContact O-CB 3.25Å; G222-K225 WeakPolarHBondContact O-CB 3.17Å; G222-K225 PolarHBondContact O-N 3.13Å; G222-P391 WeakPolarHBondContact CA-O 3.21Å; G222-L392 PolarHBondContact N-O 3.08Å; G222-H393 VanDerWaalsContact CA-C 3.46Å
223V93Very high96.6Very high37 Ų3730 Ų3022%0.22415%0.148CC..G310 helixtrans-56.8-22.6174.869.60000113.1G221 K225 L227G221-V223 PolarHBondContact O-N 2.89Å; G221-V223 VanDerWaalsContact O-N 3.08Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.34Å; V223-L227 WeakPolarHBondContact O-CD1 3.32Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å
224L95.8Very high96.8Very high0 Ų026 Ų260%014%0.135CC..G310 helixtrans-69.8-25175.8-73.8163.7000113.8V218 G219 G221 G222 G226 L227 D253 V254 A379 Y394 T431V218-L224 HydrophobicContact CG1-CD1 3.94Å; G219-L224 WeakPolarHBondContact O-CD1 3.36Å; G221-L224 PolarHBondContact O-N 3.19Å; G222-L224 PolarHBondContact O-N 2.97Å; G222-L224 VanDerWaalsContact O-N 3.08Å; L224-G226 PolarHBondContact O-N 2.69Å; L224-L227 PolarHBondContact O-N 2.94Å; L224-D253 WeakPolarHBondContact O-CB 3.44Å; L224-V254 HydrophobicContact CB-CG1 4.18Å; L224-V254 HydrophobicContact CD1-CG1 3.96Å; L224-V254 HydrophobicContact CG-CG1 4.49Å; L224-A379 HydrophobicContact CD2-CB 4.13Å; L224-Y394 HydrophobicContact CB-CD1 4.29Å; L224-Y394 HydrophobicContact CB-CG 4.4Å; L224-Y394 HydrophobicContact CD1-CD1 3.69Å; L224-Y394 HydrophobicContact CD1-CE1 4.01Å; L224-T431 HydrophobicContact CD2-CG2 3.73Å; L224-T431 HydrophobicContact CG-CG2 4.47Å
225K93.9Very high96.8Very high74 Ų7430 Ų3032%0.32215%0.15SC..THydrogen-bonded Turntrans-65.5123.8-169.1-172.3174.5-177.4175.20111.3F117 V119 G222 V223 L227F117-K225 HydrophobicContact CD1-CB 4.26Å; F117-K225 HydrophobicContact CE1-CB 4.24Å; F117-K225 WeakPolarHBondContact CE1-O 3.4Å; V119-K225 WeakPolarHBondContact CG2-O 3.48Å; G222-K225 VanDerWaalsContact O-CB 3.25Å; G222-K225 WeakPolarHBondContact O-CB 3.17Å; G222-K225 PolarHBondContact O-N 3.13Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.34Å; K225-L227 VanDerWaalsContact C-N 3.25Å; K225-L227 PolarHBondContact O-N 3.04Å
226G93.9Very high96.8Very high30 Ų3030.1 Ų30.131%0.30915%0.15SC..THydrogen-bonded Turntrans74.17.6179.600000115.2L224 D253L224-G226 PolarHBondContact O-N 2.69Å; G226-D253 VanDerWaalsContact CA-OD1 3.28Å; G226-D253 WeakPolarHBondContact CA-OD1 3.43Å; G226-D253 PolarHBondContact N-OD1 3.12Å; G226-D253 PolarHBondContact N-OD2 2.81Å
227L95.4Very high96.7Very high1 Ų134.8 Ų34.81%0.00517%0.172CC..  trans-80.6-17.5173.7-69.9-178.3000112.6V119 V127 H128 V223 L224 K225 L229 D253 T431V119-L227 HydrophobicContact CG1-CD2 3.83Å; V119-L227 HydrophobicContact CG2-CD2 4.47Å; V127-L227 HydrophobicContact CB-CD2 4.43Å; V127-L227 HydrophobicContact CG1-CD1 4.21Å; V127-L227 HydrophobicContact CG1-CD2 4.41Å; V127-L227 HydrophobicContact CG2-CD2 4.09Å; H128-L227 PolarHBondContact NE2-O 3.11Å; V223-L227 WeakPolarHBondContact O-CD1 3.32Å; V223-L227 WeakPolarHBondContact O-CG 3.4Å; L224-L227 PolarHBondContact O-N 2.94Å; K225-L227 VanDerWaalsContact C-N 3.25Å; K225-L227 PolarHBondContact O-N 3.04Å; L227-L229 VanDerWaalsContact C-N 3.27Å; L227-L229 HydrophobicContact CB-CD1 4.15Å; L227-L229 HydrophobicContact CB-CG 3.91Å; L227-L229 HydrophobicContact CD1-CD1 4Å; L227-L229 PolarHBondContact O-N 2.89Å; L227-D253 PolarHBondContact N-OD1 2.95Å; L227-D253 VanDerWaalsContact N-OD1 3.13Å; L227-T431 HydrophobicContact CD1-CG2 3.82Å
228E97.1Very high96.6Very high106 Ų10634.8 Ų34.850%0.49517%0.172SC..  trans52.440.5-179.7-64.4171.8-141.900114.1K124 H128 G230 G252 D253K124-E228 WeakPolarHBondContact CE-OE2 3.3Å; K124-E228 IonicContact NZ-OE1 3Å; K124-E228 PolarHBondContact NZ-OE1 2.86Å; K124-E228 IonicContact NZ-OE2 3.88Å; K124-E228 PolarHBondContact NZ-OE2 2.82Å; H128-E228 PolarHBondContact CE1-O 3.45Å; H128-E228 PolarHBondContact NE2-O 3.48Å; E228-G230 VanDerWaalsContact C-N 3.28Å; E228-G230 PolarHBondContact O-N 3.09Å; E228-G252 CarbonylContact C-O 3.53Å; E228-G252 WeakPolarHBondContact CA-O 3.42Å; E228-D253 PolarHBondContact N-OD1 3.45Å
229L98.1Very high96.6Very high0 Ų034.7 Ų34.70%017%0.172CC..  trans-83.20.1-178.3-69.6177.7000114V127 V131 L227 Q231 H232 I233 G252 D253 T431V127-L229 HydrophobicContact CG1-CD1 3.88Å; V127-L229 HydrophobicContact CG1-CD2 4.02Å; V127-L229 HydrophobicContact CG1-CG 4.37Å; V131-L229 HydrophobicContact CB-CD2 4.48Å; V131-L229 HydrophobicContact CG2-CD1 4.35Å; V131-L229 HydrophobicContact CG2-CD2 3.9Å; L227-L229 VanDerWaalsContact C-N 3.27Å; L227-L229 HydrophobicContact CB-CD1 4.15Å; L227-L229 HydrophobicContact CB-CG 3.91Å; L227-L229 HydrophobicContact CD1-CD1 4Å; L227-L229 PolarHBondContact O-N 2.89Å; L229-Q231 PolarHBondContact O-N 2.65Å; L229-H232 WeakPolarHBondContact O-CA 3.42Å; L229-H232 WeakPolarHBondContact O-CB 3.47Å; L229-H232 PolarHBondContact O-N 2.85Å; L229-I233 HydrophobicContact CB-CD1 3.99Å; L229-I233 HydrophobicContact CB-CG1 4.26Å; L229-I233 PolarHBondContact O-N 3.27Å; L229-G252 PolarHBondContact N-O 3.3Å; L229-D253 CarbonylContact C-O 3.6Å; L229-D253 PolarHBondContact N-O 3.24Å; L229-T431 HydrophobicContact CD1-CG2 3.89Å
230G98.1Very high96.6Very high1 Ų134.5 Ų34.51%0.0117%0.17CC..Hα-helixtrans-57-48-16600000114.1E228 H232 I233 D234 G252 D253E228-G230 VanDerWaalsContact C-N 3.28Å; E228-G230 PolarHBondContact O-N 3.09Å; G230-H232 PolarHBondContact O-N 3.42Å; G230-I233 PolarHBondContact O-N 3.04Å; G230-D234 VanDerWaalsContact O-CG 3.29Å; G230-D234 PolarHBondContact O-N 2.89Å; G230-G252 WeakPolarHBondContact CA-O 3.37Å; G230-G252 PolarHBondContact N-O 3.06Å; G230-D253 PolarHBondContact N-O 3.44Å
231Q98.1Very high96.7Very high168 Ų16833.7 Ų33.779%0.78517%0.165SC*.Hα-helixtrans-62-32.5176.5-66.3-175.83.900112.8L229 R235L229-Q231 PolarHBondContact O-N 2.65Å; Q231-R235 WeakPolarHBondContact O-CG 3.29Å
232H98.4Very high96.8Very high33 Ų3333.7 Ų33.715%0.15316%0.163CC..Hα-helixtrans-74.1-41.4177.3-64.687000111.7H128 V131 L135 L229 G230 D234 R235H128-H232 AromaticContact CE1-CE1 3.85Å; H128-H232 AromaticContact ND1-CE1 3.32Å; H128-H232 PolarHBondContact ND1-CE1 2.92Å; H128-H232 VanDerWaalsContact ND1-CE1 3.32Å; H128-H232 AromaticContact ND1-ND1 3.94Å; V131-H232 HydrophobicContact CG1-CB 3.64Å; L135-H232 HydrophobicContact CD1-CB 4.32Å; L229-H232 WeakPolarHBondContact O-CA 3.42Å; L229-H232 WeakPolarHBondContact O-CB 3.47Å; L229-H232 PolarHBondContact O-N 2.85Å; G230-H232 PolarHBondContact O-N 3.42Å; H232-D234 VanDerWaalsContact C-N 3.28Å; H232-D234 PolarHBondContact O-N 2.86Å; H232-R235 WeakPolarHBondContact O-CB 3.42Å; H232-R235 PolarHBondContact O-N 2.89Å
233I98.6Very high96.9Very high1 Ų135.4 Ų35.41%0.00517%0.172CC..Hα-helixtrans-61.1-41175.4-70.4168.8000110.3V216 V218 L229 G230 R235 F236 I239V216-I233 HydrophobicContact CG1-CG2 4.15Å; V218-I233 HydrophobicContact CG2-CG2 3.96Å; L229-I233 HydrophobicContact CB-CD1 3.99Å; L229-I233 HydrophobicContact CB-CG1 4.26Å; L229-I233 PolarHBondContact O-N 3.27Å; G230-I233 PolarHBondContact O-N 3.04Å; I233-R235 PolarHBondContact O-N 2.84Å; I233-R235 VanDerWaalsContact O-N 3.08Å; I233-F236 WeakPolarHBondContact O-CD2 3.33Å; I233-F236 PolarHBondContact O-N 2.99Å; I233-F236 VanDerWaalsContact O-N 3.12Å; I233-I239 HydrophobicContact CG2-CD1 4.35Å; I233-I239 HydrophobicContact CG2-CG1 4.4Å; I233-I239 HydrophobicContact CG2-CG2 4.15Å; I233-I239 WeakPolarHBondContact O-CD1 3.47Å
234D97.9Very high96.8Very high29 Ų2935.4 Ų35.416%0.15517%0.174CC..THydrogen-bonded Turntrans-67.8-7.8-179.3-69.3-23.8000113.6G230 H232 G255 N256 R257G230-D234 VanDerWaalsContact O-CG 3.29Å; G230-D234 PolarHBondContact O-N 2.89Å; H232-D234 VanDerWaalsContact C-N 3.28Å; H232-D234 PolarHBondContact O-N 2.86Å; D234-G255 WeakPolarHBondContact OD1-CA 3.28Å; D234-G255 WeakPolarHBondContact OD2-CA 3.32Å; D234-N256 PolarHBondContact OD1-N 3.28Å; D234-N256 PolarHBondContact OD2-N 2.91Å; D234-N256 PolarHBondContact OD2-OD1 3.23Å; D234-R257 HydrophobicContact CB-CG 4.24Å; D234-R257 PolarHBondContact O-NH1 3.38Å; D234-R257 WeakPolarHBondContact OD1-CB 3.41Å; D234-R257 PolarHBondContact OD1-N 3.19Å
235R97.8Very high96.7Very high116 Ų11635.5 Ų35.544%0.43817%0.174SC..THydrogen-bonded Turntrans-83.8-12.3173.6-65.9169.764.7-169.6-3.4114L135 E136 Q231 H232 I233L135-R235 HydrophobicContact CD1-CB 4.16Å; L135-R235 HydrophobicContact CD2-CB 4.2Å; E136-R235 IonicContact OE1-CZ 2.78Å; E136-R235 IonicContact OE1-NH1 3.9Å; E136-R235 IonicContact OE1-NH2 3.81Å; E136-R235 PolarHBondContact OE1-NH2 3.3Å; Q231-R235 WeakPolarHBondContact O-CG 3.29Å; H232-R235 WeakPolarHBondContact O-CB 3.42Å; H232-R235 PolarHBondContact O-N 2.89Å; I233-R235 PolarHBondContact O-N 2.84Å; I233-R235 VanDerWaalsContact O-N 3.08Å
236F97.6Very high96.7Very high1 Ų133.9 Ų33.90%0.00417%0.172CC..SBendtrans-70.4149.1176.4-76-98.1000111.3L135 R214 V216 I233 T238 I239 R257 L430L135-F236 HydrophobicContact CD2-CD1 4.49Å; L135-F236 HydrophobicContact CD2-CD2 3.88Å; L135-F236 HydrophobicContact CD2-CE1 4.23Å; L135-F236 HydrophobicContact CD2-CE2 3.59Å; L135-F236 HydrophobicContact CD2-CG 4.33Å; L135-F236 HydrophobicContact CD2-CZ 3.77Å; L135-F236 HydrophobicContact CG-CE2 4.21Å; L135-F236 HydrophobicContact CG-CZ 4.37Å; R214-F236 HydrophobicContact CB-CD1 3.91Å; R214-F236 HydrophobicContact CB-CE1 4.31Å; V216-F236 HydrophobicContact CB-CB 4.29Å; V216-F236 HydrophobicContact CB-CD1 3.74Å; V216-F236 HydrophobicContact CB-CD2 3.93Å; V216-F236 HydrophobicContact CB-CE1 3.99Å; V216-F236 HydrophobicContact CB-CE2 4.16Å; V216-F236 HydrophobicContact CB-CG 3.71Å; V216-F236 HydrophobicContact CB-CZ 4.2Å; V216-F236 HydrophobicContact CG1-CB 3.66Å; V216-F236 HydrophobicContact CG1-CD1 4.08Å; V216-F236 HydrophobicContact CG1-CD2 3.72Å; V216-F236 HydrophobicContact CG1-CE2 4.39Å; V216-F236 HydrophobicContact CG1-CG 3.54Å; I233-F236 WeakPolarHBondContact O-CD2 3.33Å; I233-F236 PolarHBondContact O-N 2.99Å; I233-F236 VanDerWaalsContact O-N 3.12Å; F236-T238 VanDerWaalsContact C-N 3.3Å; F236-T238 PolarHBondContact O-N 2.94Å; F236-I239 HydrophobicContact CB-CG1 4.14Å; F236-R257 PolarHBondContact O-NH1 2.94Å; F236-L430 HydrophobicContact CE2-CD1 3.7Å; F236-L430 HydrophobicContact CZ-CD1 3.63Å; F236-L430 HydrophobicContact CZ-CD2 4.25Å
237H95.9Very high96.6Very high98 Ų9832.7 Ų32.745%0.45416%0.158SC..SBendtrans-70.1-31.2179.6-57.295000111.7C212 R213 R214C212-H237 PolarHBondContact O-CE1 3.49Å; R213-H237 HydrophobicContact CG-CB 3.96Å; R214-H237 PolarHBondContact N-ND1 3.03Å; R214-H237 WeakPolarHBondContact O-CB 3.44Å; R214-H237 PolarHBondContact O-N 3.33Å
238T97.1Very high96.5Very high1 Ų135.2 Ų35.21%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-142.1127177.1-57.70000109.8R213 R214 C215 V216 F236 I240 S259 I260R213-T238 PolarHBondContact NE-OG1 3.24Å; R213-T238 PolarHBondContact NH2-OG1 2.86Å; R214-T238 PolarHBondContact O-N 3.29Å; C215-T238 VanDerWaalsContact CA-O 3.28Å; C215-T238 WeakPolarHBondContact CA-O 3.49Å; C215-T238 WeakPolarHBondContact SG-CB 3.28Å; V216-T238 PolarHBondContact N-O 2.94Å; F236-T238 VanDerWaalsContact C-N 3.3Å; F236-T238 PolarHBondContact O-N 2.94Å; T238-I240 HydrophobicContact CG2-CG1 4.22Å; T238-S259 WeakPolarHBondContact CA-OG 3.44Å; T238-I260 HydrophobicContact CG2-CD1 4.01Å; T238-I260 HydrophobicContact CG2-CG1 4.39Å
239I98.6Very high96.3Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-114.1112.6-178.6-60.3157.9000107.2V216 V218 I233 F236 R241 R257 S259 I260V216-I239 HydrophobicContact CG1-CB 4.22Å; V216-I239 HydrophobicContact CG1-CG1 3.76Å; V216-I239 HydrophobicContact CG1-CG2 4.18Å; V218-I239 HydrophobicContact CG2-CG2 3.98Å; I233-I239 HydrophobicContact CG2-CD1 4.35Å; I233-I239 HydrophobicContact CG2-CG1 4.4Å; I233-I239 HydrophobicContact CG2-CG2 4.15Å; I233-I239 WeakPolarHBondContact O-CD1 3.47Å; F236-I239 HydrophobicContact CB-CG1 4.14Å; I239-R241 HydrophobicContact CG2-CG 4.14Å; I239-R257 HydrophobicContact CD1-CB 3.56Å; I239-S259 PolarHBondContact N-OG 2.62Å; I239-S259 VanDerWaalsContact N-OG 3.08Å; I239-S259 PolarHBondContact O-N 2.81Å; I239-I260 PolarHBondContact O-N 2.97Å
240I98.7Very high96.2Very high0 Ų040.1 Ų40.10%020%0.204CC..EExtended strand (participates in β ladder)trans-99.1114.1179-58.7165.8000107.7V216 V217 V218 T238 L242 I260 M262 A365 A369V216-I240 PolarHBondContact O-N 3.14Å; V217-I240 WeakPolarHBondContact CA-O 3.42Å; V217-I240 HydrophobicContact CG1-CB 4.43Å; V217-I240 HydrophobicContact CG1-CG2 4.36Å; V217-I240 HydrophobicContact CG2-CB 4.31Å; V217-I240 HydrophobicContact CG2-CD1 4.17Å; V218-I240 PolarHBondContact N-O 3.03Å; T238-I240 HydrophobicContact CG2-CG1 4.22Å; I240-L242 HydrophobicContact CG2-CD2 4.13Å; I240-I260 CarbonylContact C-O 3.56Å; I240-I260 WeakPolarHBondContact CA-O 3.29Å; I240-I260 HydrophobicContact CB-CB 4.49Å; I240-I260 HydrophobicContact CG1-CB 4.04Å; I240-I260 HydrophobicContact CG1-CD1 4.13Å; I240-I260 HydrophobicContact CG1-CG2 4.47Å; I240-I260 HydrophobicContact CG2-CB 4.44Å; I240-I260 HydrophobicContact CG2-CG2 4.18Å; I240-M262 HydrophobicContact CG2-CB 4.45Å; I240-A365 HydrophobicContact CG2-CB 4.25Å; I240-A369 HydrophobicContact CD1-CB 3.64Å
241R98.4Very high96.1Very high2 Ų242.7 Ų42.71%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-106.8150.9175.4-59.9-167.9-171.7-92.2-1.3110.9V218 I239 L247 V254 R257 T258 I260 R261 M262V218-R241 HydrophobicContact CB-CG 4.42Å; I239-R241 HydrophobicContact CG2-CG 4.14Å; R241-L247 VanDerWaalsContact CZ-CD2 3.42Å; R241-V254 VanDerWaalsContact CZ-O 3.23Å; R241-V254 PolarHBondContact NH1-O 3.08Å; R241-V254 PolarHBondContact NH2-O 3.27Å; R241-R257 VanDerWaalsContact CZ-O 3.3Å; R241-R257 PolarHBondContact NE-O 3.48Å; R241-R257 PolarHBondContact NH2-O 3.44Å; R241-T258 HydrophobicContact CB-CG2 4.14Å; R241-T258 WeakPolarHBondContact CD-OG1 3.17Å; R241-T258 HydrophobicContact CG-CG2 4.01Å; R241-T258 PolarHBondContact NE-OG1 3.33Å; R241-I260 PolarHBondContact N-O 3.49Å; R241-R261 WeakPolarHBondContact O-CA 3.17Å; R241-M262 PolarHBondContact O-N 2.82Å
242L96.9Very high96.1Very high7 Ų736.7 Ų36.74%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-118.3140.5-170-50.1179.5000111.4V217 N220 I240 G245 M262 L361 G362 A365 F381V217-L242 HydrophobicContact CG1-CD1 4.06Å; V217-L242 HydrophobicContact CG1-CD2 4.23Å; V217-L242 HydrophobicContact CG1-CG 4.29Å; N220-L242 PolarHBondContact ND2-O 3.15Å; N220-L242 VanDerWaalsContact ND2-O 3.12Å; N220-L242 PolarHBondContact OD1-O 3.07Å; I240-L242 HydrophobicContact CG2-CD2 4.13Å; L242-G245 PolarHBondContact O-N 2.86Å; L242-M262 HydrophobicContact CD2-CB 4.08Å; L242-L361 HydrophobicContact CB-CD2 4.39Å; L242-L361 HydrophobicContact CD2-CG 4.39Å; L242-G362 VanDerWaalsContact CD1-CA 3.48Å; L242-A365 HydrophobicContact CD1-CB 4.34Å; L242-A365 HydrophobicContact CD2-CB 3.4Å; L242-A365 HydrophobicContact CG-CB 4.48Å; L242-F381 HydrophobicContact CD1-CZ 4.24Å
243N95.4Very high96Very high39 Ų3936.1 Ų36.121%0.20920%0.201CC..THydrogen-bonded Turntrans51.2-142.3172.1-58.6-37.1000112.5G245 R261 M262 Y264 G267 L361N243-G245 VanDerWaalsContact C-N 3.27Å; N243-G245 PolarHBondContact O-N 3.45Å; N243-R261 WeakPolarHBondContact O-CD 3.39Å; N243-R261 PolarHBondContact O-NH1 3Å; N243-M262 PolarHBondContact N-O 3.27Å; N243-M262 VanDerWaalsContact N-O 3.11Å; N243-Y264 WeakPolarHBondContact OD1-CE1 3.44Å; N243-G267 CarbonylContact C-O 3.52Å; N243-G267 WeakPolarHBondContact CA-O 3.29Å; N243-G267 VanDerWaalsContact CB-O 3.27Å; N243-G267 WeakPolarHBondContact CB-O 3.06Å; N243-L361 WeakPolarHBondContact OD1-CD2 3.33Å
244S92Very high96Very high37 Ų3736.1 Ų36.126%0.25920%0.201SC..THydrogen-bonded Turntrans-83.317.5-177.7-57.80000114.7P246 G267S244-P246 WeakPolarHBondContact O-CD 3.43Å; S244-G267 PolarHBondContact N-O 3.28Å; S244-G267 PolarHBondContact OG-O 3.25Å
245G93.5Very high96Very high1 Ų134.7 Ų34.71%0.0119%0.194CC..  trans-55.6109.5177.800000111.4N220 L242 N243 R261 Y394N220-G245 WeakPolarHBondContact OD1-CA 3.36Å; L242-G245 PolarHBondContact O-N 2.86Å; N243-G245 VanDerWaalsContact C-N 3.27Å; N243-G245 PolarHBondContact O-N 3.45Å; G245-R261 PolarHBondContact O-NH1 3.37Å; G245-R261 PolarHBondContact O-NH2 3.39Å; G245-R261 VanDerWaalsContact O-NH2 3.14Å; G245-Y394 WeakPolarHBondContact CA-OH 3.42Å
246P93.3Very high95.9Very high40 Ų4033.2 Ų33.226%0.2620%0.195SC..  trans-84.3153.8-173.133.7-31.6000111.6S244 Y394 Y395S244-P246 WeakPolarHBondContact O-CD 3.43Å; P246-Y394 HydrophobicContact CG-CE2 4.29Å; P246-Y394 WeakPolarHBondContact O-CE2 3.32Å; P246-Y394 PolarHBondContact O-OH 3.44Å; P246-Y395 HydrophobicContact CG-CD1 3.95Å; P246-Y395 HydrophobicContact CG-CD2 4.24Å; P246-Y395 HydrophobicContact CG-CG 3.6Å
247L92.9Very high95.9Very high6 Ų637.1 Ų37.13%0.03121%0.209CC..  trans-94.6-110.9169.8-52.5-178.1000108.9R241 K249 H250 T251 V254R241-L247 VanDerWaalsContact CZ-CD2 3.42Å; L247-K249 PolarHBondContact O-N 2.88Å; L247-H250 WeakPolarHBondContact O-CB 3.34Å; L247-H250 PolarHBondContact O-CD2 3.29Å; L247-H250 PolarHBondContact O-N 2.86Å; L247-T251 HydrophobicContact CB-CG2 4.04Å; L247-V254 HydrophobicContact CD2-CG2 3.95Å
248G91.9Very high96Very high53 Ų5332.4 Ų32.455%0.54619%0.187SC..G310 helixtrans54.6-120.8174.500000112.4H250 T251G248-H250 PolarHBondContact O-N 3.11Å; G248-H250 VanDerWaalsContact O-N 3.08Å; G248-T251 WeakPolarHBondContact O-CB 3.37Å; G248-T251 WeakPolarHBondContact O-CG2 3.42Å; G248-T251 PolarHBondContact O-N 3.42Å; G248-T251 VanDerWaalsContact O-N 3.15Å; G248-T251 PolarHBondContact O-OG1 3.17Å
249K93.4Very high96Very high185 Ų18533.4 Ų33.480%0.80419%0.194SC*.G310 helixtrans-61.8-15.3178.569.6-178.4-179.4-177.40114.5L247L247-K249 PolarHBondContact O-N 2.88Å
250H95.4Very high96Very high25 Ų2534.1 Ų34.112%0.11620%0.198CC..G310 helixtrans-92.2-1.7-179.9-57-72.5000113.5L247 G248 G252 D253 V254 Y394L247-H250 WeakPolarHBondContact O-CB 3.34Å; L247-H250 PolarHBondContact O-CD2 3.29Å; L247-H250 PolarHBondContact O-N 2.86Å; G248-H250 PolarHBondContact O-N 3.11Å; G248-H250 VanDerWaalsContact O-N 3.08Å; H250-G252 PolarHBondContact O-N 3.34Å; H250-G252 VanDerWaalsContact O-N 3.11Å; H250-D253 PolarHBondContact O-N 3.41Å; H250-V254 HydrophobicContact CB-CG2 4.13Å; H250-V254 WeakPolarHBondContact O-CG2 3.26Å; H250-V254 PolarHBondContact O-N 2.85Å; H250-Y394 HydrophobicContact CB-CD2 4.09Å; H250-Y394 HydrophobicContact CB-CE2 3.97Å; H250-Y394 AromaticContact CG-CD2 3.94Å
251T96.8Very high95.9Very high54 Ų5434.2 Ų34.233%0.33120%0.198SC..Hα-helixtrans-56.6-29.4-176.246.30000114L247 G248 D253 G255 N256L247-T251 HydrophobicContact CB-CG2 4.04Å; G248-T251 WeakPolarHBondContact O-CB 3.37Å; G248-T251 WeakPolarHBondContact O-CG2 3.42Å; G248-T251 PolarHBondContact O-N 3.42Å; G248-T251 VanDerWaalsContact O-N 3.15Å; G248-T251 PolarHBondContact O-OG1 3.17Å; T251-D253 VanDerWaalsContact C-N 3.31Å; T251-D253 PolarHBondContact O-N 3.15Å; T251-G255 VanDerWaalsContact O-CA 3.24Å; T251-G255 WeakPolarHBondContact O-CA 3.3Å; T251-G255 PolarHBondContact O-N 2.96Å; T251-N256 HydrophobicContact CG2-CB 3.77Å
252G97.3Very high95.9Very high43 Ų4334.1 Ų34.144%0.44320%0.198SC..Hα-helixtrans-58-42.7172.400000112.6E228 L229 G230 H250E228-G252 CarbonylContact C-O 3.53Å; E228-G252 WeakPolarHBondContact CA-O 3.42Å; L229-G252 PolarHBondContact N-O 3.3Å; G230-G252 WeakPolarHBondContact CA-O 3.37Å; G230-G252 PolarHBondContact N-O 3.06Å; H250-G252 PolarHBondContact O-N 3.34Å; H250-G252 VanDerWaalsContact O-N 3.11Å
253D97.7Very high96Very high21 Ų2133.8 Ų33.811%0.11220%0.196CC..Hα-helixtrans-84.3-42.2-178.7-71.5-34000112.9L224 G226 L227 E228 L229 G230 H250 T251L224-D253 WeakPolarHBondContact O-CB 3.44Å; G226-D253 VanDerWaalsContact CA-OD1 3.28Å; G226-D253 WeakPolarHBondContact CA-OD1 3.43Å; G226-D253 PolarHBondContact N-OD1 3.12Å; G226-D253 PolarHBondContact N-OD2 2.81Å; L227-D253 PolarHBondContact N-OD1 2.95Å; L227-D253 VanDerWaalsContact N-OD1 3.13Å; E228-D253 PolarHBondContact N-OD1 3.45Å; L229-D253 CarbonylContact C-O 3.6Å; L229-D253 PolarHBondContact N-O 3.24Å; G230-D253 PolarHBondContact N-O 3.44Å; H250-D253 PolarHBondContact O-N 3.41Å; T251-D253 VanDerWaalsContact C-N 3.31Å; T251-D253 PolarHBondContact O-N 3.15Å
254V97.5Very high96.1Very high0 Ų034.2 Ų34.20%020%0.195CC..Hα-helixtrans-112.1-5.6-166.5-51.80000114.5L224 R241 L247 H250 Y394L224-V254 HydrophobicContact CB-CG1 4.18Å; L224-V254 HydrophobicContact CD1-CG1 3.96Å; L224-V254 HydrophobicContact CG-CG1 4.49Å; R241-V254 VanDerWaalsContact CZ-O 3.23Å; R241-V254 PolarHBondContact NH1-O 3.08Å; R241-V254 PolarHBondContact NH2-O 3.27Å; L247-V254 HydrophobicContact CD2-CG2 3.95Å; H250-V254 HydrophobicContact CB-CG2 4.13Å; H250-V254 WeakPolarHBondContact O-CG2 3.26Å; H250-V254 PolarHBondContact O-N 2.85Å; V254-Y394 HydrophobicContact CG1-CD1 4.19Å; V254-Y394 HydrophobicContact CG1-CD2 4.02Å; V254-Y394 HydrophobicContact CG1-CE1 4.05Å; V254-Y394 HydrophobicContact CG1-CE2 3.9Å; V254-Y394 HydrophobicContact CG1-CG 4.18Å; V254-Y394 HydrophobicContact CG2-CE2 4.28Å
255G97.4Very high96.2Very high0 Ų032.5 Ų32.50%018%0.183CC..  trans85.4175.3-178.500000112.4D234 T251D234-G255 WeakPolarHBondContact OD1-CA 3.28Å; D234-G255 WeakPolarHBondContact OD2-CA 3.32Å; T251-G255 VanDerWaalsContact O-CA 3.24Å; T251-G255 WeakPolarHBondContact O-CA 3.3Å; T251-G255 PolarHBondContact O-N 2.96Å
256N96.5Very high96.3Very high85 Ų8532.5 Ų32.546%0.45518%0.183SC..SBendtrans-116.1-2.7179.671.46.9000114.3D234 T251D234-N256 PolarHBondContact OD1-N 3.28Å; D234-N256 PolarHBondContact OD2-N 2.91Å; D234-N256 PolarHBondContact OD2-OD1 3.23Å; T251-N256 HydrophobicContact CG2-CB 3.77Å
257R96.9Very high96.3Very high82 Ų8230.8 Ų30.831%0.30917%0.173SC..  trans-94.5144.4177.6-64.5-179.665.7-147.2-3.9112.5D234 F236 I239 R241 D276D234-R257 HydrophobicContact CB-CG 4.24Å; D234-R257 PolarHBondContact O-NH1 3.38Å; D234-R257 WeakPolarHBondContact OD1-CB 3.41Å; D234-R257 PolarHBondContact OD1-N 3.19Å; F236-R257 PolarHBondContact O-NH1 2.94Å; I239-R257 HydrophobicContact CD1-CB 3.56Å; R241-R257 VanDerWaalsContact CZ-O 3.3Å; R241-R257 PolarHBondContact NE-O 3.48Å; R241-R257 PolarHBondContact NH2-O 3.44Å; R257-D276 WeakPolarHBondContact CA-OD2 3.17Å; R257-D276 VanDerWaalsContact CB-OD2 3.27Å; R257-D276 WeakPolarHBondContact CB-OD2 3.4Å
258T97.6Very high96.3Very high0 Ų030.7 Ų30.70%017%0.172CC..  trans-142.4107.3173.1-56.70000109.3R241 R261 D274 D276 S279R241-T258 HydrophobicContact CB-CG2 4.14Å; R241-T258 WeakPolarHBondContact CD-OG1 3.17Å; R241-T258 HydrophobicContact CG-CG2 4.01Å; R241-T258 PolarHBondContact NE-OG1 3.33Å; T258-R261 HydrophobicContact CG2-CB 4.28Å; T258-D274 VanDerWaalsContact CB-OD1 3.31Å; T258-D274 WeakPolarHBondContact CB-OD1 3.15Å; T258-D274 PolarHBondContact OG1-OD1 2.89Å; T258-D276 PolarHBondContact N-OD2 2.93Å; T258-D276 WeakPolarHBondContact O-CB 3.24Å; T258-S279 WeakPolarHBondContact O-CB 3Å; T258-S279 PolarHBondContact O-OG 2.65Å
259S97.6Very high96.3Very high21 Ų2129 Ų2915%0.14715%0.152CC..SBendtrans-79.8-41.5174.5-46.10000111.4T238 I239 S279 V280T238-S259 WeakPolarHBondContact CA-OG 3.44Å; I239-S259 PolarHBondContact N-OG 2.62Å; I239-S259 VanDerWaalsContact N-OG 3.08Å; I239-S259 PolarHBondContact O-N 2.81Å; S259-S279 WeakPolarHBondContact O-CA 3.38Å; S259-V280 PolarHBondContact O-N 3.48Å
260I98.4Very high96.2Very high15 Ų1524.3 Ų24.38%0.07714%0.135CC..EExtended strand (participates in β ladder)trans-132.5125.9-179.4-65.6172.7000108.6T238 I239 I240 R241 M262 V280 V282 L372T238-I260 HydrophobicContact CG2-CD1 4.01Å; T238-I260 HydrophobicContact CG2-CG1 4.39Å; I239-I260 PolarHBondContact O-N 2.97Å; I240-I260 CarbonylContact C-O 3.56Å; I240-I260 WeakPolarHBondContact CA-O 3.29Å; I240-I260 HydrophobicContact CB-CB 4.49Å; I240-I260 HydrophobicContact CG1-CB 4.04Å; I240-I260 HydrophobicContact CG1-CD1 4.13Å; I240-I260 HydrophobicContact CG1-CG2 4.47Å; I240-I260 HydrophobicContact CG2-CB 4.44Å; I240-I260 HydrophobicContact CG2-CG2 4.18Å; R241-I260 PolarHBondContact N-O 3.49Å; I260-M262 HydrophobicContact CG2-CB 4.46Å; I260-V280 WeakPolarHBondContact CA-O 3.34Å; I260-V282 HydrophobicContact CG2-CB 4.15Å; I260-V282 HydrophobicContact CG2-CG2 3.52Å; I260-L372 HydrophobicContact CD1-CD1 3.83Å
261R98.1Very high95.9Very high2 Ų230.9 Ų30.91%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-102.8109.6164.4-179.767.767.6149.3-5.4108.1R241 N243 G245 T258 W272 D274 V280 F281 V282R241-R261 WeakPolarHBondContact O-CA 3.17Å; N243-R261 WeakPolarHBondContact O-CD 3.39Å; N243-R261 PolarHBondContact O-NH1 3Å; G245-R261 PolarHBondContact O-NH1 3.37Å; G245-R261 PolarHBondContact O-NH2 3.39Å; G245-R261 VanDerWaalsContact O-NH2 3.14Å; T258-R261 HydrophobicContact CG2-CB 4.28Å; R261-W272 HydrophobicContact CB-CH2 3.77Å; R261-W272 HydrophobicContact CB-CZ2 4.5Å; R261-W272 HydrophobicContact CB-CZ3 4.5Å; R261-W272 HydrophobicContact CG-CH2 3.82Å; R261-W272 HydrophobicContact CG-CZ3 4.05Å; R261-D274 IonicContact CZ-OD1 2.86Å; R261-D274 IonicContact CZ-OD2 2.62Å; R261-D274 VanDerWaalsContact CZ-OD2 3.29Å; R261-D274 IonicContact NE-OD1 2.81Å; R261-D274 IonicContact NE-OD2 3.99Å; R261-D274 PolarHBondContact NE-OD2 3.04Å; R261-D274 IonicContact NH2-OD1 3.95Å; R261-D274 PolarHBondContact NH2-OD1 3.36Å; R261-D274 IonicContact NH2-OD2 2.65Å; R261-D274 PolarHBondContact NH2-OD2 3.26Å; R261-D274 VanDerWaalsContact NH2-OD2 3.11Å; R261-V280 PolarHBondContact N-O 3.13Å; R261-F281 HydrophobicContact CB-CD2 4.45Å; R261-F281 HydrophobicContact CG-CD2 4.24Å; R261-F281 WeakPolarHBondContact O-CA 3.44Å; R261-V282 PolarHBondContact O-N 2.92Å
262M98.2Very high95.6Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-98.3123.6177.6-171.4176.1-177.200109.4I240 R241 L242 N243 I260 V282 V284 L329 L361 T364 A365 L368I240-M262 HydrophobicContact CG2-CB 4.45Å; R241-M262 PolarHBondContact O-N 2.82Å; L242-M262 HydrophobicContact CD2-CB 4.08Å; N243-M262 PolarHBondContact N-O 3.27Å; N243-M262 VanDerWaalsContact N-O 3.11Å; I260-M262 HydrophobicContact CG2-CB 4.46Å; M262-V282 WeakPolarHBondContact CA-O 3.45Å; M262-V282 HydrophobicContact CB-CB 4.25Å; M262-V282 HydrophobicContact CE-CG1 4.49Å; M262-V282 HydrophobicContact CG-CB 4.14Å; M262-V282 HydrophobicContact CG-CG1 3.98Å; M262-V284 HydrophobicContact CE-CG2 3.49Å; M262-V284 VanDerWaalsContact CE-CG2 3.49Å; M262-V284 HydrophobicContact CG-CG2 3.88Å; M262-L329 HydrophobicContact CE-CD1 3.8Å; M262-L329 HydrophobicContact CE-CD2 3.48Å; M262-L329 VanDerWaalsContact CE-CD2 3.48Å; M262-L329 HydrophobicContact CE-CG 4.17Å; M262-L361 HydrophobicContact CE-CD1 3.81Å; M262-L361 HydrophobicContact CG-CD1 4.02Å; M262-L361 HydrophobicContact CG-CD2 4.49Å; M262-L361 HydrophobicContact CG-CG 4.43Å; M262-L361 WeakPolarHBondContact O-CD2 3.44Å; M262-L361 HydrophobicContact SD-CD1 4.15Å; M262-T364 HydrophobicContact CE-CG2 3.65Å; M262-A365 HydrophobicContact SD-CB 3.75Å; M262-L368 HydrophobicContact CE-CD2 4.34Å; M262-L368 HydrophobicContact SD-CD2 3.88Å
263S97.9Very high95.1Very high0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-163.7175.7-173.4-161.30000113.4G267 T268 V282 V284S263-G267 PolarHBondContact OG-O 3.18Å; S263-T268 WeakPolarHBondContact CB-OG1 3.27Å; S263-T268 WeakPolarHBondContact OG-CA 2.92Å; S263-T268 PolarHBondContact OG-N 2.85Å; S263-T268 VanDerWaalsContact OG-N 3.17Å; S263-T268 PolarHBondContact OG-OG1 3.37Å; S263-V282 PolarHBondContact N-O 3.46Å; S263-V284 PolarHBondContact O-N 2.84Å
264Y96.9Very high94.8Very high49 Ų4930.3 Ų30.319%0.19215%0.154CC..  trans-132.4169.117261.1-82.9000108.6N243 E266 G267 T268 V284 Y286N243-Y264 WeakPolarHBondContact OD1-CE1 3.44Å; Y264-E266 HydrophobicContact CD2-CB 4.26Å; Y264-E266 HydrophobicContact CE2-CB 3.91Å; Y264-E266 PolarHBondContact O-N 2.9Å; Y264-G267 CarbonylContact O-C 3.39Å; Y264-G267 WeakPolarHBondContact O-CA 3.14Å; Y264-G267 PolarHBondContact O-N 3.07Å; Y264-T268 PolarHBondContact O-N 3.38Å; Y264-T268 PolarHBondContact O-OG1 2.86Å; Y264-V284 VanDerWaalsContact CB-O 3.31Å; Y264-V284 WeakPolarHBondContact CB-O 3.41Å; Y264-Y286 AromaticContact CD1-CD2 3.94Å; Y264-Y286 HydrophobicContact CD1-CD2 3.94Å; Y264-Y286 AromaticContact CD1-CE2 3.52Å; Y264-Y286 HydrophobicContact CD1-CE2 3.52Å; Y264-Y286 HydrophobicContact CD2-CD2 4.14Å; Y264-Y286 HydrophobicContact CE1-CE2 4.05Å; Y264-Y286 AromaticContact CG-CD2 3.7Å; Y264-Y286 HydrophobicContact CG-CD2 3.7Å; Y264-Y286 AromaticContact CG-CE2 3.79Å; Y264-Y286 HydrophobicContact CG-CE2 3.79Å
265P96Very high94.4Very high0 Ų035.6 Ų35.60%019%0.186CC..THydrogen-bonded Turntrans-51.1-52.8-168.5-26.432.3000114G267 T268 D290 W293 F311 V315 P316P265-G267 VanDerWaalsContact C-N 3.35Å; P265-T268 PolarHBondContact O-N 3.02Å; P265-D290 HydrophobicContact CG-CB 3.87Å; P265-D290 WeakPolarHBondContact CG-OD1 3.4Å; P265-W293 HydrophobicContact CB-CB 4.33Å; P265-W293 HydrophobicContact CB-CD2 3.64Å; P265-W293 HydrophobicContact CB-CE3 3.85Å; P265-W293 HydrophobicContact CB-CG 3.81Å; P265-W293 HydrophobicContact CB-CZ3 4.37Å; P265-W293 HydrophobicContact CG-CB 3.89Å; P265-W293 HydrophobicContact CG-CD2 3.7Å; P265-W293 HydrophobicContact CG-CE3 3.56Å; P265-W293 HydrophobicContact CG-CG 3.82Å; P265-W293 HydrophobicContact CG-CZ3 4.28Å; P265-F311 HydrophobicContact CB-CD1 4.16Å; P265-F311 HydrophobicContact CB-CE1 3.8Å; P265-F311 HydrophobicContact CB-CZ 4.49Å; P265-F311 HydrophobicContact CG-CE1 4.01Å; P265-V315 HydrophobicContact CB-CB 4.26Å; P265-V315 HydrophobicContact CB-CG1 3.72Å; P265-P316 WeakPolarHBondContact O-CD 3.08Å
266E93.8Very high94Very high1 Ų137.4 Ų37.41%0.00520%0.196CC..THydrogen-bonded Turntrans-73.6-27.9179.4-58.799.6136.400112.5Y264 T268 K287 F311 W312 Q313 V315Y264-E266 HydrophobicContact CD2-CB 4.26Å; Y264-E266 HydrophobicContact CE2-CB 3.91Å; Y264-E266 PolarHBondContact O-N 2.9Å; E266-T268 PolarHBondContact O-N 3.35Å; E266-K287 WeakPolarHBondContact OE1-CE 3.22Å; E266-K287 IonicContact OE1-NZ 3.4Å; E266-K287 PolarHBondContact OE1-NZ 3.43Å; E266-K287 IonicContact OE2-NZ 3.65Å; E266-K287 PolarHBondContact OE2-NZ 2.89Å; E266-F311 HydrophobicContact CG-CB 4.14Å; E266-F311 HydrophobicContact CG-CD1 4.26Å; E266-W312 HydrophobicContact CB-CZ2 3.99Å; E266-W312 HydrophobicContact CG-CG 4.38Å; E266-Q313 HydrophobicContact CB-CG 3.72Å; E266-Q313 HydrophobicContact CG-CG 3.95Å; E266-Q313 PolarHBondContact O-NE2 3.41Å; E266-V315 HydrophobicContact CG-CG1 3.98Å
267G93.1Very high93.6Very high5 Ų537.1 Ų37.15%0.05220%0.198CC..THydrogen-bonded Turntrans-73.4-12.3174.900000113.6N243 S244 S263 Y264 P265N243-G267 CarbonylContact C-O 3.52Å; N243-G267 WeakPolarHBondContact CA-O 3.29Å; N243-G267 VanDerWaalsContact CB-O 3.27Å; N243-G267 WeakPolarHBondContact CB-O 3.06Å; S244-G267 PolarHBondContact N-O 3.28Å; S244-G267 PolarHBondContact OG-O 3.25Å; S263-G267 PolarHBondContact OG-O 3.18Å; Y264-G267 CarbonylContact O-C 3.39Å; Y264-G267 WeakPolarHBondContact O-CA 3.14Å; Y264-G267 PolarHBondContact O-N 3.07Å; P265-G267 VanDerWaalsContact C-N 3.35Å
268T94.9Very high93.2Very high3 Ų340.8 Ų40.82%0.01822%0.219CC..SBendtrans-88.3139.2-170.6-57.70000111.1S263 Y264 P265 E266 L270 F281 W293 P316 I319S263-T268 WeakPolarHBondContact CB-OG1 3.27Å; S263-T268 WeakPolarHBondContact OG-CA 2.92Å; S263-T268 PolarHBondContact OG-N 2.85Å; S263-T268 VanDerWaalsContact OG-N 3.17Å; S263-T268 PolarHBondContact OG-OG1 3.37Å; Y264-T268 PolarHBondContact O-N 3.38Å; Y264-T268 PolarHBondContact O-OG1 2.86Å; P265-T268 PolarHBondContact O-N 3.02Å; E266-T268 PolarHBondContact O-N 3.35Å; T268-L270 PolarHBondContact O-N 2.94Å; T268-F281 HydrophobicContact CG2-CE2 4.05Å; T268-W293 HydrophobicContact CG2-CH2 4.14Å; T268-P316 HydrophobicContact CG2-CG 3.46Å; T268-P316 VanDerWaalsContact CG2-CG 3.46Å; T268-I319 HydrophobicContact CG2-CD1 4.32Å; T268-I319 HydrophobicContact CG2-CG1 4.45Å
269P91.1Very high93Very high19 Ų1940.9 Ų40.912%0.12322%0.219CC..  trans-63.7136.4-18027-34.6000110.9H271 P316P269-H271 PolarHBondContact O-N 3.32Å; P269-P316 WeakPolarHBondContact O-CG 3.28Å
270L91.4Very high93Very high86 Ų8641.3 Ų41.345%0.4522%0.221SC..SBendtrans-59.1-33.7179-65.2-180000112.5T268 R314T268-L270 PolarHBondContact O-N 2.94Å; L270-R314 HydrophobicContact CD1-CB 4.42Å; L270-R314 HydrophobicContact CD2-CB 3.89Å
271H89.3Confident93Very high163 Ų16340.6 Ų40.676%0.75522%0.217SC*.SBendtrans-116.1118.2174.1-60.1-70.3000108.9P269 A273P269-H271 PolarHBondContact O-N 3.32Å; H271-A273 PolarHBondContact O-N 3.03Å
272W89.8Confident93Very high45 Ų4540.5 Ų40.517%0.1722%0.217CC..  trans-68.9126.3177.8-171.5-90.4000110.5R261 D274 F281 I319 P320 L321R261-W272 HydrophobicContact CB-CH2 3.77Å; R261-W272 HydrophobicContact CB-CZ2 4.5Å; R261-W272 HydrophobicContact CB-CZ3 4.5Å; R261-W272 HydrophobicContact CG-CH2 3.82Å; R261-W272 HydrophobicContact CG-CZ3 4.05Å; W272-D274 HydrophobicContact CZ2-CB 3.89Å; W272-D274 PolarHBondContact NE1-O 3.37Å; W272-D274 VanDerWaalsContact NE1-O 3.11Å; W272-F281 HydrophobicContact CH2-CB 4.45Å; W272-F281 AromaticContact CH2-CD2 3.86Å; W272-F281 HydrophobicContact CH2-CD2 3.86Å; W272-F281 AromaticContact CZ3-CD2 3.77Å; W272-F281 HydrophobicContact CZ3-CD2 3.77Å; W272-F281 HydrophobicContact CZ3-CE2 4.25Å; W272-I319 HydrophobicContact CD2-CG2 4.39Å; W272-I319 HydrophobicContact CE3-CG1 4.31Å; W272-I319 HydrophobicContact CE3-CG2 3.96Å; W272-I319 HydrophobicContact CH2-CG2 4.22Å; W272-I319 HydrophobicContact CZ3-CG1 4.35Å; W272-I319 HydrophobicContact CZ3-CG2 3.87Å; W272-P320 VanDerWaalsContact CB-CD 3.41Å; W272-P320 HydrophobicContact CB-CG 3.62Å; W272-P320 VanDerWaalsContact CD1-CG 3.44Å; W272-P320 HydrophobicContact CD2-CG 4.36Å; W272-P320 VanDerWaalsContact CG-CD 3.42Å; W272-P320 HydrophobicContact CG-CG 3.52Å; W272-L321 HydrophobicContact CH2-CD1 3.91Å; W272-L321 HydrophobicContact CZ2-CD1 3.77Å; W272-L321 HydrophobicContact CZ2-CD2 4.17Å; W272-L321 HydrophobicContact CZ2-CG 4.1Å
273A87.3Confident93Very high48 Ų4840.6 Ų40.640%0.39722%0.218SC..  trans-124.2-1-175.400000113.8H271 T275H271-A273 PolarHBondContact O-N 3.03Å; A273-T275 PolarHBondContact O-N 2.69Å
274D90.8Very high93Very high13 Ų1340.6 Ų40.67%0.0722%0.218CC..  trans-73.4123.4174.3-66.9-38.6000109.3T258 R261 W272T258-D274 VanDerWaalsContact CB-OD1 3.31Å; T258-D274 WeakPolarHBondContact CB-OD1 3.15Å; T258-D274 PolarHBondContact OG1-OD1 2.89Å; R261-D274 IonicContact CZ-OD1 2.86Å; R261-D274 IonicContact CZ-OD2 2.62Å; R261-D274 VanDerWaalsContact CZ-OD2 3.29Å; R261-D274 IonicContact NE-OD1 2.81Å; R261-D274 IonicContact NE-OD2 3.99Å; R261-D274 PolarHBondContact NE-OD2 3.04Å; R261-D274 IonicContact NH2-OD1 3.95Å; R261-D274 PolarHBondContact NH2-OD1 3.36Å; R261-D274 IonicContact NH2-OD2 2.65Å; R261-D274 PolarHBondContact NH2-OD2 3.26Å; R261-D274 VanDerWaalsContact NH2-OD2 3.11Å; W272-D274 HydrophobicContact CZ2-CB 3.89Å; W272-D274 PolarHBondContact NE1-O 3.37Å; W272-D274 VanDerWaalsContact NE1-O 3.11Å
275T88.7Confident93.1Very high111 Ų11138.7 Ų38.768%0.68121%0.211SC*.  trans-101.3-9.3-175.553.30000113.3A273A273-T275 PolarHBondContact O-N 2.69Å
276D89.6Confident93Very high37 Ų3740 Ų4020%0.19822%0.216CC..  trans-64.6123.3-177.3-106-20.8000110.6R257 T258 H278 S279R257-D276 WeakPolarHBondContact CA-OD2 3.17Å; R257-D276 VanDerWaalsContact CB-OD2 3.27Å; R257-D276 WeakPolarHBondContact CB-OD2 3.4Å; T258-D276 PolarHBondContact N-OD2 2.93Å; T258-D276 WeakPolarHBondContact O-CB 3.24Å; D276-H278 PolarHBondContact O-N 3.31Å; D276-S279 WeakPolarHBondContact CB-OG 3.44Å; D276-S279 PolarHBondContact O-N 3.19Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-S279 PolarHBondContact O-OG 2.74Å
277P87.4Confident92.9Very high79 Ų7941.4 Ų41.451%0.51322%0.222SC..THydrogen-bonded Turntrans-71-5.2-174.629.4-36.5000113.3R325P277-R325 VanDerWaalsContact C-NH1 3.32Å; P277-R325 VanDerWaalsContact O-CZ 3.3Å; P277-R325 PolarHBondContact O-NH1 3.47Å
278H88.7Confident92.9Very high160 Ų16042.5 Ų42.574%0.74123%0.229SC*.THydrogen-bonded Turntrans-118.214.5176.3-58.6-64.7000112.6D276 V280D276-H278 PolarHBondContact O-N 3.31Å; H278-V280 PolarHBondContact O-N 3.04Å
279S94.8Very high92.9Very high1 Ų142.7 Ų42.71%0.00723%0.23CC..  trans-59133.4176.2-61.70000111.6T258 S259 D276 R325T258-S279 WeakPolarHBondContact O-CB 3Å; T258-S279 PolarHBondContact O-OG 2.65Å; S259-S279 WeakPolarHBondContact O-CA 3.38Å; D276-S279 WeakPolarHBondContact CB-OG 3.44Å; D276-S279 PolarHBondContact O-N 3.19Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-S279 PolarHBondContact O-OG 2.74Å; S279-R325 WeakPolarHBondContact O-CD 3.25Å
280V96.8Very high93.2Very high30 Ų3041.8 Ų41.818%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-107.9134.6174.1171.50000109.3S259 I260 R261 H278 V282 R325 R327S259-V280 PolarHBondContact O-N 3.48Å; I260-V280 WeakPolarHBondContact CA-O 3.34Å; R261-V280 PolarHBondContact N-O 3.13Å; H278-V280 PolarHBondContact O-N 3.04Å; V280-V282 HydrophobicContact CG1-CG2 4.23Å; V280-R325 CarbonylContact C-O 3.29Å; V280-R325 WeakPolarHBondContact CA-O 3.34Å; V280-R325 VanDerWaalsContact CG1-O 3.3Å; V280-R325 WeakPolarHBondContact CG1-O 3.24Å; V280-R327 HydrophobicContact CG1-CB 4.31Å; V280-R327 HydrophobicContact CG1-CG 3.53Å
281F98Very high93.4Very high0 Ų037.8 Ų37.80%020%0.203CC..EExtended strand (participates in β ladder)trans-93.4116170.5-176.4-93.6000110.1R261 T268 W272 A283 W293 I294 I319 L321 R325 F326 R327R261-F281 HydrophobicContact CB-CD2 4.45Å; R261-F281 HydrophobicContact CG-CD2 4.24Å; R261-F281 WeakPolarHBondContact O-CA 3.44Å; T268-F281 HydrophobicContact CG2-CE2 4.05Å; W272-F281 HydrophobicContact CH2-CB 4.45Å; W272-F281 AromaticContact CH2-CD2 3.86Å; W272-F281 HydrophobicContact CH2-CD2 3.86Å; W272-F281 AromaticContact CZ3-CD2 3.77Å; W272-F281 HydrophobicContact CZ3-CD2 3.77Å; W272-F281 HydrophobicContact CZ3-CE2 4.25Å; F281-A283 HydrophobicContact CD1-CB 4.28Å; F281-A283 HydrophobicContact CE1-CB 3.88Å; F281-W293 HydrophobicContact CE1-CZ3 4.38Å; F281-W293 HydrophobicContact CZ-CH2 4.43Å; F281-W293 HydrophobicContact CZ-CZ3 4.11Å; F281-I294 HydrophobicContact CD1-CD1 4.49Å; F281-I294 HydrophobicContact CE1-CD1 3.6Å; F281-I294 HydrophobicContact CZ-CD1 4.36Å; F281-I319 HydrophobicContact CD1-CD1 4.08Å; F281-I319 HydrophobicContact CD2-CD1 3.85Å; F281-I319 HydrophobicContact CE1-CD1 3.91Å; F281-I319 HydrophobicContact CE2-CD1 3.65Å; F281-I319 HydrophobicContact CG-CD1 4.05Å; F281-I319 HydrophobicContact CZ-CD1 3.68Å; F281-L321 HydrophobicContact CB-CD1 3.65Å; F281-R325 PolarHBondContact N-O 2.97Å; F281-F326 HydrophobicContact CB-CD1 4.25Å; F281-F326 HydrophobicContact CB-CE1 4.32Å; F281-F326 AromaticContact CD1-CD1 3.71Å; F281-F326 HydrophobicContact CD1-CD1 3.71Å; F281-F326 AromaticContact CD1-CE1 3.81Å; F281-F326 HydrophobicContact CD1-CE1 3.81Å; F281-F326 HydrophobicContact CG-CD1 4.35Å; F281-F326 HydrophobicContact CG-CE1 4.26Å; F281-F326 CarbonylContact O-C 2.89Å; F281-F326 WeakPolarHBondContact O-CA 3.38Å; F281-R327 PolarHBondContact O-N 3.15Å
282V98.6Very high93.7Very high0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-97.5107.7175.2175.40000108.7F162 I260 R261 M262 S263 V280 R327 L329 L368F162-V282 HydrophobicContact CD1-CG1 4.47Å; F162-V282 HydrophobicContact CE1-CB 4.46Å; F162-V282 HydrophobicContact CE1-CG1 3.84Å; F162-V282 HydrophobicContact CE1-CG2 3.71Å; F162-V282 HydrophobicContact CZ-CG2 4.04Å; I260-V282 HydrophobicContact CG2-CB 4.15Å; I260-V282 HydrophobicContact CG2-CG2 3.52Å; R261-V282 PolarHBondContact O-N 2.92Å; M262-V282 WeakPolarHBondContact CA-O 3.45Å; M262-V282 HydrophobicContact CB-CB 4.25Å; M262-V282 HydrophobicContact CE-CG1 4.49Å; M262-V282 HydrophobicContact CG-CB 4.14Å; M262-V282 HydrophobicContact CG-CG1 3.98Å; S263-V282 PolarHBondContact N-O 3.46Å; V280-V282 HydrophobicContact CG1-CG2 4.23Å; V282-R327 WeakPolarHBondContact CA-O 3.43Å; V282-R327 HydrophobicContact CG2-CB 4.1Å; V282-L329 HydrophobicContact CG1-CB 4.09Å; V282-L329 HydrophobicContact CG1-CD1 4.23Å; V282-L368 HydrophobicContact CG1-CD2 4.21Å
283A98.4Very high94.1Very high2 Ų229.3 Ų29.32%0.01717%0.169CC..EExtended strand (participates in β ladder)trans-79.3130.7179.700000111.5F281 I294 R327 L328 L329F281-A283 HydrophobicContact CD1-CB 4.28Å; F281-A283 HydrophobicContact CE1-CB 3.88Å; A283-I294 HydrophobicContact CB-CD1 3.51Å; A283-I294 HydrophobicContact CB-CG1 3.91Å; A283-I294 HydrophobicContact CB-CG2 4.32Å; A283-R327 PolarHBondContact N-O 3.34Å; A283-L328 HydrophobicContact CB-CD1 4.44Å; A283-L329 WeakPolarHBondContact O-CB 3.36Å; A283-L329 PolarHBondContact O-N 3.15Å
284V98.4Very high94.6Very high1 Ų127.1 Ų27.11%0.00615%0.151CC..  trans-113.4132.4172.8-171.40000109.9M262 S263 Y264 Y286 L329 I334 L361M262-V284 HydrophobicContact CE-CG2 3.49Å; M262-V284 VanDerWaalsContact CE-CG2 3.49Å; M262-V284 HydrophobicContact CG-CG2 3.88Å; S263-V284 PolarHBondContact O-N 2.84Å; Y264-V284 VanDerWaalsContact CB-O 3.31Å; Y264-V284 WeakPolarHBondContact CB-O 3.41Å; V284-Y286 HydrophobicContact CB-CE2 4.02Å; V284-Y286 HydrophobicContact CG1-CD2 4.11Å; V284-Y286 HydrophobicContact CG1-CE2 3.5Å; V284-L329 HydrophobicContact CG1-CD2 4.23Å; V284-L329 HydrophobicContact CG2-CB 4.33Å; V284-L329 HydrophobicContact CG2-CD2 4Å; V284-I334 HydrophobicContact CG1-CD1 3.86Å; V284-L361 HydrophobicContact CB-CD1 4.31Å; V284-L361 HydrophobicContact CG1-CD1 4.41Å; V284-L361 HydrophobicContact CG2-CD1 3.7Å
285I97.4Very high94.9Very high9 Ų927.7 Ų27.75%0.04616%0.155CC..  trans-105.2112.7-174.6-53-57.2000109.4P178 P179 F182 D290 L291 I294 L328P178-I285 HydrophobicContact CB-CG2 4.34Å; P178-I285 HydrophobicContact CG-CG2 4.3Å; P179-I285 WeakPolarHBondContact CA-O 3.04Å; P179-I285 WeakPolarHBondContact CB-O 3.37Å; F182-I285 HydrophobicContact CE1-CB 4.05Å; F182-I285 HydrophobicContact CE1-CG1 4.12Å; F182-I285 HydrophobicContact CE1-CG2 4.09Å; I285-D290 HydrophobicContact CD1-CB 3.94Å; I285-D290 HydrophobicContact CG2-CB 4.36Å; I285-L291 HydrophobicContact CD1-CD2 3.74Å; I285-L291 HydrophobicContact CD1-CG 4.23Å; I285-L291 HydrophobicContact CG1-CD2 3.83Å; I285-L291 HydrophobicContact CG1-CG 4.48Å; I285-L291 HydrophobicContact CG2-CD2 4.18Å; I285-L291 HydrophobicContact CG2-CG 4Å; I285-I294 HydrophobicContact CD1-CG1 4.37Å; I285-L328 HydrophobicContact CD1-CD1 3.94Å; I285-L328 HydrophobicContact CG1-CD1 3.54Å
286Y93.9Very high95.2Very high28 Ų2822.9 Ų22.911%0.1113%0.127CC..SBendtrans-102.9-24174-70.6-81.8000112.2P178 P179 Y264 V284 D290 V358P178-Y286 VanDerWaalsContact CB-O 3.3Å; P178-Y286 WeakPolarHBondContact CB-O 3.3Å; P179-Y286 HydrophobicContact CB-CD1 3.69Å; P179-Y286 HydrophobicContact CB-CE1 4Å; P179-Y286 HydrophobicContact CB-CG 4.44Å; P179-Y286 HydrophobicContact CG-CD1 3.94Å; P179-Y286 HydrophobicContact CG-CE1 4.18Å; Y264-Y286 AromaticContact CD1-CD2 3.94Å; Y264-Y286 HydrophobicContact CD1-CD2 3.94Å; Y264-Y286 AromaticContact CD1-CE2 3.52Å; Y264-Y286 HydrophobicContact CD1-CE2 3.52Å; Y264-Y286 HydrophobicContact CD2-CD2 4.14Å; Y264-Y286 HydrophobicContact CE1-CE2 4.05Å; Y264-Y286 AromaticContact CG-CD2 3.7Å; Y264-Y286 HydrophobicContact CG-CD2 3.7Å; Y264-Y286 AromaticContact CG-CE2 3.79Å; Y264-Y286 HydrophobicContact CG-CE2 3.79Å; V284-Y286 HydrophobicContact CB-CE2 4.02Å; V284-Y286 HydrophobicContact CG1-CD2 4.11Å; V284-Y286 HydrophobicContact CG1-CE2 3.5Å; Y286-D290 WeakPolarHBondContact CA-OD2 3.46Å; Y286-D290 PolarHBondContact N-OD2 3.14Å; Y286-V358 HydrophobicContact CD1-CG1 4.38Å; Y286-V358 HydrophobicContact CE1-CG1 3.79Å
287K92.4Very high95.6Very high30 Ų3021.2 Ų21.213%0.1312%0.118CC..SBendtrans-151.5166.9178.957.2-174.6178.8-51.40112.9E266 V289 D290 F310E266-K287 WeakPolarHBondContact OE1-CE 3.22Å; E266-K287 IonicContact OE1-NZ 3.4Å; E266-K287 PolarHBondContact OE1-NZ 3.43Å; E266-K287 IonicContact OE2-NZ 3.65Å; E266-K287 PolarHBondContact OE2-NZ 2.89Å; K287-V289 VanDerWaalsContact C-N 3.3Å; K287-V289 HydrophobicContact CD-CG2 3.7Å; K287-V289 HydrophobicContact CG-CG2 3.74Å; K287-V289 PolarHBondContact O-N 3.24Å; K287-D290 WeakPolarHBondContact CE-OD1 3.34Å; K287-D290 WeakPolarHBondContact CG-OD1 3.43Å; K287-D290 WeakPolarHBondContact CG-OD2 3.41Å; K287-D290 PolarHBondContact N-OD2 3.32Å; K287-D290 IonicContact NZ-OD1 2.75Å; K287-D290 PolarHBondContact NZ-OD1 3.45Å; K287-D290 IonicContact NZ-OD2 2.71Å; K287-D290 WeakPolarHBondContact O-CB 3.5Å; K287-D290 PolarHBondContact O-N 2.91Å; K287-D290 VanDerWaalsContact O-N 3.1Å; K287-F310 WeakPolarHBondContact CE-O 3.42Å
288S93.4Very high96.1Very high28 Ų2817.9 Ų17.920%0.19610%0.096CC..Hα-helixtrans-57.9-37-175.5-1790000114L185 K188 D290 L291L185-S288 VanDerWaalsContact CD2-OG 3.28Å; L185-S288 WeakPolarHBondContact CD2-OG 3.31Å; K188-S288 PolarHBondContact NZ-OG 2.85Å; S288-D290 VanDerWaalsContact C-N 3.25Å; S288-D290 PolarHBondContact O-N 2.84Å; S288-L291 WeakPolarHBondContact O-CB 3.35Å; S288-L291 PolarHBondContact O-N 2.71Å
289V94.8Very high96.4Very high7 Ų717.2 Ų17.24%0.0429%0.087CC..Hα-helixtrans-72.2-18.7-179.7-64.80000113K287 L291 S292 W293 D307 F310 F311K287-V289 VanDerWaalsContact C-N 3.3Å; K287-V289 HydrophobicContact CD-CG2 3.7Å; K287-V289 HydrophobicContact CG-CG2 3.74Å; K287-V289 PolarHBondContact O-N 3.24Å; V289-L291 VanDerWaalsContact C-N 3.28Å; V289-L291 PolarHBondContact O-N 3.48Å; V289-S292 WeakPolarHBondContact O-CB 3.38Å; V289-S292 PolarHBondContact O-N 3.34Å; V289-W293 PolarHBondContact O-N 2.78Å; V289-D307 HydrophobicContact CG1-CB 4.34Å; V289-F310 HydrophobicContact CB-CB 4.31Å; V289-F310 HydrophobicContact CG1-CB 3.77Å; V289-F310 HydrophobicContact CG1-CD2 3.84Å; V289-F310 HydrophobicContact CG1-CG 3.96Å; V289-F310 HydrophobicContact CG2-CB 3.78Å; V289-F311 HydrophobicContact CB-CE1 4.19Å; V289-F311 HydrophobicContact CB-CZ 4.12Å; V289-F311 HydrophobicContact CG2-CD1 4.22Å; V289-F311 HydrophobicContact CG2-CE1 3.63Å; V289-F311 HydrophobicContact CG2-CZ 4.05Å
290D96.9Very high96.5Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-64.6-38174.4-54.1-18.2000110.3P265 I285 Y286 K287 S288 S292 W293 I294P265-D290 HydrophobicContact CG-CB 3.87Å; P265-D290 WeakPolarHBondContact CG-OD1 3.4Å; I285-D290 HydrophobicContact CD1-CB 3.94Å; I285-D290 HydrophobicContact CG2-CB 4.36Å; Y286-D290 WeakPolarHBondContact CA-OD2 3.46Å; Y286-D290 PolarHBondContact N-OD2 3.14Å; K287-D290 WeakPolarHBondContact CE-OD1 3.34Å; K287-D290 WeakPolarHBondContact CG-OD1 3.43Å; K287-D290 WeakPolarHBondContact CG-OD2 3.41Å; K287-D290 PolarHBondContact N-OD2 3.32Å; K287-D290 IonicContact NZ-OD1 2.75Å; K287-D290 PolarHBondContact NZ-OD1 3.45Å; K287-D290 IonicContact NZ-OD2 2.71Å; K287-D290 WeakPolarHBondContact O-CB 3.5Å; K287-D290 PolarHBondContact O-N 2.91Å; K287-D290 VanDerWaalsContact O-N 3.1Å; S288-D290 VanDerWaalsContact C-N 3.25Å; S288-D290 PolarHBondContact O-N 2.84Å; D290-S292 VanDerWaalsContact C-N 3.33Å; D290-S292 PolarHBondContact O-N 3.41Å; D290-W293 PolarHBondContact O-N 3.4Å; D290-I294 VanDerWaalsContact O-CG1 3.23Å; D290-I294 WeakPolarHBondContact O-CG1 3.49Å; D290-I294 PolarHBondContact O-N 3.16Å
291L96.8Very high96.3Very high2 Ų224.8 Ų24.81%0.0112%0.121CC..Hα-helixtrans-62.1-41.8175.3-65.3168.2000111.7L185 K188 V189 L192 I285 S288 V289 S295L185-L291 HydrophobicContact CB-CD1 4.16Å; L185-L291 HydrophobicContact CD1-CD1 4.07Å; K188-L291 HydrophobicContact CB-CD1 3.86Å; K188-L291 HydrophobicContact CD-CD1 4.49Å; V189-L291 HydrophobicContact CG2-CD1 3.71Å; V189-L291 HydrophobicContact CG2-CD2 4.02Å; L192-L291 HydrophobicContact CD2-CD2 3.61Å; I285-L291 HydrophobicContact CD1-CD2 3.74Å; I285-L291 HydrophobicContact CD1-CG 4.23Å; I285-L291 HydrophobicContact CG1-CD2 3.83Å; I285-L291 HydrophobicContact CG1-CG 4.48Å; I285-L291 HydrophobicContact CG2-CD2 4.18Å; I285-L291 HydrophobicContact CG2-CG 4Å; S288-L291 WeakPolarHBondContact O-CB 3.35Å; S288-L291 PolarHBondContact O-N 2.71Å; V289-L291 VanDerWaalsContact C-N 3.28Å; V289-L291 PolarHBondContact O-N 3.48Å; L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 3.23Å; L291-S295 VanDerWaalsContact O-N 3.08Å; L291-S295 PolarHBondContact O-OG 3.47Å
292S95.7Very high95.9Very high29 Ų2927.9 Ų27.920%0.20315%0.153CC..Hα-helixtrans-62.6-46.8175.5-59.20000110.6K188 V289 D290 S295 A296 D307K188-S292 PolarHBondContact NZ-OG 3.08Å; V289-S292 WeakPolarHBondContact O-CB 3.38Å; V289-S292 PolarHBondContact O-N 3.34Å; D290-S292 VanDerWaalsContact C-N 3.33Å; D290-S292 PolarHBondContact O-N 3.41Å; S292-S295 PolarHBondContact O-N 2.93Å; S292-A296 PolarHBondContact O-N 2.73Å; S292-D307 WeakPolarHBondContact CB-OD2 3.36Å; S292-D307 PolarHBondContact OG-OD2 3.19Å; S292-D307 VanDerWaalsContact OG-OD2 3.11Å
293W97.1Very high95.4Very high0 Ų029.9 Ų29.90%017%0.165CC..Hα-helixtrans-61.3-47.9-179.7-176.688.3000112P265 T268 F281 V289 D290 S295 A296 M297 V303 F311 P316 I319P265-W293 HydrophobicContact CB-CB 4.33Å; P265-W293 HydrophobicContact CB-CD2 3.64Å; P265-W293 HydrophobicContact CB-CE3 3.85Å; P265-W293 HydrophobicContact CB-CG 3.81Å; P265-W293 HydrophobicContact CB-CZ3 4.37Å; P265-W293 HydrophobicContact CG-CB 3.89Å; P265-W293 HydrophobicContact CG-CD2 3.7Å; P265-W293 HydrophobicContact CG-CE3 3.56Å; P265-W293 HydrophobicContact CG-CG 3.82Å; P265-W293 HydrophobicContact CG-CZ3 4.28Å; T268-W293 HydrophobicContact CG2-CH2 4.14Å; F281-W293 HydrophobicContact CE1-CZ3 4.38Å; F281-W293 HydrophobicContact CZ-CH2 4.43Å; F281-W293 HydrophobicContact CZ-CZ3 4.11Å; V289-W293 PolarHBondContact O-N 2.78Å; D290-W293 PolarHBondContact O-N 3.4Å; W293-S295 VanDerWaalsContact C-N 3.32Å; W293-S295 PolarHBondContact O-N 3.49Å; W293-A296 WeakPolarHBondContact O-CB 3.46Å; W293-A296 PolarHBondContact O-N 3.16Å; W293-A296 VanDerWaalsContact O-N 3.1Å; W293-M297 HydrophobicContact CD2-CG 3.82Å; W293-M297 HydrophobicContact CE3-CG 3.95Å; W293-M297 HydrophobicContact CH2-CG 3.75Å; W293-M297 HydrophobicContact CH2-SD 4.32Å; W293-M297 HydrophobicContact CZ2-CG 3.53Å; W293-M297 HydrophobicContact CZ2-SD 3.61Å; W293-M297 HydrophobicContact CZ3-CG 3.95Å; W293-M297 WeakPolarHBondContact O-CG 3.38Å; W293-M297 PolarHBondContact O-N 3.31Å; W293-V303 HydrophobicContact CG-CG2 4.29Å; W293-F311 HydrophobicContact CB-CZ 3.98Å; W293-F311 HydrophobicContact CG-CZ 4.34Å; W293-P316 HydrophobicContact CH2-CG 4.07Å; W293-P316 HydrophobicContact CZ2-CB 3.95Å; W293-P316 HydrophobicContact CZ2-CG 3.56Å; W293-P316 PolarHBondContact NE1-O 3.42Å; W293-I319 HydrophobicContact CH2-CD1 3.48Å; W293-I319 VanDerWaalsContact CH2-CD1 3.48Å; W293-I319 HydrophobicContact CH2-CG1 4.17Å; W293-I319 HydrophobicContact CZ2-CD1 4.36Å; W293-I319 HydrophobicContact CZ3-CD1 3.98Å
294I97.6Very high94.9Very high3 Ų332.5 Ų32.52%0.01518%0.184CC..Hα-helixtrans-61-43.4177.6-63.4-67.3000111L192 F281 A283 I285 D290 A296 M297 I298L192-I294 HydrophobicContact CD1-CB 4.33Å; L192-I294 HydrophobicContact CD1-CG2 3.66Å; L192-I294 HydrophobicContact CD2-CB 4.33Å; L192-I294 HydrophobicContact CD2-CG2 4.08Å; F281-I294 HydrophobicContact CD1-CD1 4.49Å; F281-I294 HydrophobicContact CE1-CD1 3.6Å; F281-I294 HydrophobicContact CZ-CD1 4.36Å; A283-I294 HydrophobicContact CB-CD1 3.51Å; A283-I294 HydrophobicContact CB-CG1 3.91Å; A283-I294 HydrophobicContact CB-CG2 4.32Å; I285-I294 HydrophobicContact CD1-CG1 4.37Å; D290-I294 VanDerWaalsContact O-CG1 3.23Å; D290-I294 WeakPolarHBondContact O-CG1 3.49Å; D290-I294 PolarHBondContact O-N 3.16Å; I294-A296 VanDerWaalsContact C-N 3.26Å; I294-A296 PolarHBondContact O-N 2.61Å; I294-M297 PolarHBondContact O-N 3.42Å; I294-I298 HydrophobicContact CG2-CD1 3.77Å; I294-I298 HydrophobicContact CG2-CG1 4.37Å; I294-I298 WeakPolarHBondContact O-CG1 3.36Å; I294-I298 PolarHBondContact O-N 3.41Å
295S97.1Very high94.3Very high24 Ų2439 Ų3917%0.16821%0.212CC..Hα-helixtrans-59.7-39.4176.4-58.40000111.5L291 S292 W293 R299L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 3.23Å; L291-S295 VanDerWaalsContact O-N 3.08Å; L291-S295 PolarHBondContact O-OG 3.47Å; S292-S295 PolarHBondContact O-N 2.93Å; W293-S295 VanDerWaalsContact C-N 3.32Å; W293-S295 PolarHBondContact O-N 3.49Å; S295-R299 WeakPolarHBondContact O-CB 3.17Å; S295-R299 VanDerWaalsContact O-CG 3.27Å; S295-R299 WeakPolarHBondContact O-CG 3.36Å; S295-R299 PolarHBondContact O-N 2.82Å
296A96.7Very high93.8Very high11 Ų1147.3 Ų47.39%0.09124%0.243CC..Hα-helixtrans-66.6-43.517600000111.9S292 W293 I294 I298 R299 K300 L301 V303S292-A296 PolarHBondContact O-N 2.73Å; W293-A296 WeakPolarHBondContact O-CB 3.46Å; W293-A296 PolarHBondContact O-N 3.16Å; W293-A296 VanDerWaalsContact O-N 3.1Å; I294-A296 VanDerWaalsContact C-N 3.26Å; I294-A296 PolarHBondContact O-N 2.61Å; A296-I298 PolarHBondContact O-N 3.26Å; A296-R299 CarbonylContact O-C 3.54Å; A296-R299 PolarHBondContact O-N 3.01Å; A296-K300 PolarHBondContact O-N 3Å; A296-L301 WeakPolarHBondContact CB-O 3.46Å; A296-L301 PolarHBondContact O-N 2.92Å; A296-V303 HydrophobicContact CB-CG2 4.33Å
297M96.9Very high93.5Very high1 Ų147.4 Ų47.41%0.00525%0.245CC..Hα-helixtrans-61.8-43.8177-64.1-54.493.700112.1W293 I294 R299 K300 V303 R317 E318 I319 F326W293-M297 HydrophobicContact CD2-CG 3.82Å; W293-M297 HydrophobicContact CE3-CG 3.95Å; W293-M297 HydrophobicContact CH2-CG 3.75Å; W293-M297 HydrophobicContact CH2-SD 4.32Å; W293-M297 HydrophobicContact CZ2-CG 3.53Å; W293-M297 HydrophobicContact CZ2-SD 3.61Å; W293-M297 HydrophobicContact CZ3-CG 3.95Å; W293-M297 WeakPolarHBondContact O-CG 3.38Å; W293-M297 PolarHBondContact O-N 3.31Å; I294-M297 PolarHBondContact O-N 3.42Å; M297-R299 VanDerWaalsContact C-N 3.34Å; M297-R299 PolarHBondContact O-N 2.97Å; M297-K300 PolarHBondContact O-N 2.65Å; M297-V303 HydrophobicContact CE-CG2 4.25Å; M297-R317 VanDerWaalsContact CE-O 3.27Å; M297-R317 WeakPolarHBondContact CE-O 3.32Å; M297-E318 VanDerWaalsContact SD-CA 3.58Å; M297-I319 HydrophobicContact CB-CD1 4.4Å; M297-I319 HydrophobicContact CG-CD1 4.17Å; M297-I319 HydrophobicContact CG-CG1 4.36Å; M297-I319 HydrophobicContact SD-CG1 4.45Å; M297-F326 HydrophobicContact CB-CE1 4.28Å; M297-F326 HydrophobicContact CB-CZ 4.36Å
298I97.1Very high93.1Very high10 Ų1052.4 Ų52.45%0.05126%0.263CS..Hα-helixtrans-64.7-40.7177.8-65.8166.2000111L192 L195 L196 I294 A296 K300 P323 F326L192-I298 HydrophobicContact CD1-CD1 3.69Å; L195-I298 HydrophobicContact CB-CD1 4.32Å; L195-I298 HydrophobicContact CB-CG2 3.92Å; L196-I298 HydrophobicContact CD2-CD1 3.74Å; I294-I298 HydrophobicContact CG2-CD1 3.77Å; I294-I298 HydrophobicContact CG2-CG1 4.37Å; I294-I298 WeakPolarHBondContact O-CG1 3.36Å; I294-I298 PolarHBondContact O-N 3.41Å; A296-I298 PolarHBondContact O-N 3.26Å; I298-K300 VanDerWaalsContact C-N 3.26Å; I298-K300 PolarHBondContact O-N 3.33Å; I298-P323 HydrophobicContact CG2-CB 3.72Å; I298-P323 HydrophobicContact CG2-CG 3.98Å; I298-F326 HydrophobicContact CD1-CB 4.1Å; I298-F326 HydrophobicContact CD1-CD1 4.23Å; I298-F326 HydrophobicContact CD1-CG 4.1Å; I298-F326 HydrophobicContact CG1-CB 4.15Å; I298-F326 HydrophobicContact CG1-CD1 3.73Å; I298-F326 HydrophobicContact CG1-CD2 3.85Å; I298-F326 HydrophobicContact CG1-CE1 4.03Å; I298-F326 HydrophobicContact CG1-CE2 4.14Å; I298-F326 HydrophobicContact CG1-CG 3.63Å; I298-F326 HydrophobicContact CG1-CZ 4.23Å
299R96.6Very high92.8Very high146 Ų14656.2 Ų56.255%0.55128%0.277SS*.Hα-helixtrans-80.3-3.5179.4-69.1178.4174.7-148.4-0114L195 S295 A296 M297 L301L195-R299 HydrophobicContact CD1-CG 4.1Å; L195-R299 HydrophobicContact CD2-CG 4.44Å; S295-R299 WeakPolarHBondContact O-CB 3.17Å; S295-R299 VanDerWaalsContact O-CG 3.27Å; S295-R299 WeakPolarHBondContact O-CG 3.36Å; S295-R299 PolarHBondContact O-N 2.82Å; A296-R299 CarbonylContact O-C 3.54Å; A296-R299 PolarHBondContact O-N 3.01Å; M297-R299 VanDerWaalsContact C-N 3.34Å; M297-R299 PolarHBondContact O-N 2.97Å; R299-L301 VanDerWaalsContact C-N 3.28Å; R299-L301 HydrophobicContact CB-CB 4.48Å; R299-L301 HydrophobicContact CB-CD1 3.83Å; R299-L301 HydrophobicContact CB-CG 3.85Å; R299-L301 PolarHBondContact O-N 2.9Å
300K95.4Very high92.4Very high93 Ų9358 Ų5840%0.40428%0.284SS..THydrogen-bonded Turntrans56.742-173.3-53.6-64-171.1162.20112.5A296 M297 I298 E318 I319 L321A296-K300 PolarHBondContact O-N 3Å; M297-K300 PolarHBondContact O-N 2.65Å; I298-K300 VanDerWaalsContact C-N 3.26Å; I298-K300 PolarHBondContact O-N 3.33Å; K300-E318 HydrophobicContact CD-CG 4.27Å; K300-E318 IonicContact NZ-OE1 3.11Å; K300-E318 PolarHBondContact NZ-OE1 3.3Å; K300-I319 PolarHBondContact NZ-O 3.42Å; K300-L321 PolarHBondContact NZ-O 3.26Å
301L93.8Very high92Very high96 Ų9658.9 Ų58.950%0.50329%0.288SS..  trans-112.8156.6179.1-63.4177.4000111.3A296 R299A296-L301 WeakPolarHBondContact CB-O 3.46Å; A296-L301 PolarHBondContact O-N 2.92Å; R299-L301 VanDerWaalsContact C-N 3.28Å; R299-L301 HydrophobicContact CB-CB 4.48Å; R299-L301 HydrophobicContact CB-CD1 3.83Å; R299-L301 HydrophobicContact CB-CG 3.85Å; R299-L301 PolarHBondContact O-N 2.9Å
302G89.2Confident91.1Very high65 Ų6563 Ų6367%0.6730%0.303SS*.PPolyproline II helixtrans-69.2153.316800000112
303V88.8Confident90.7Very high42 Ų4265.5 Ų65.526%0.25531%0.312SS..PPolyproline II helixtrans-79145174.6-174.10000109.1W293 A296 M297 D307 F311W293-V303 HydrophobicContact CG-CG2 4.29Å; A296-V303 HydrophobicContact CB-CG2 4.33Å; M297-V303 HydrophobicContact CE-CG2 4.25Å; V303-D307 HydrophobicContact CG1-CB 3.63Å; V303-F311 HydrophobicContact CG1-CE2 3.99Å; V303-F311 HydrophobicContact CG1-CZ 4.48Å
304S87.5Confident90.3Very high57 Ų5774.9 Ų74.940%0.39935%0.347SS..PPolyproline II helixtrans-56.3140.3175.2175.90000111.2W306 D307 W308S304-W306 PolarHBondContact O-N 3.15Å; S304-W306 PolarHBondContact OG-N 3.21Å; S304-D307 PolarHBondContact O-N 3.24Å; S304-W308 PolarHBondContact O-N 3.41Å; S304-W308 VanDerWaalsContact O-N 3.12Å
305F86.3Confident90.1Very high137 Ų13775.7 Ų75.760%0.60135%0.352SS*.Hα-helixtrans-54.8-33.5173.6178.7-107.6000112.4W308 F309F305-W308 WeakPolarHBondContact O-CB 3.36Å; F305-W308 PolarHBondContact O-N 3.23Å; F305-F309 AromaticContact CD1-CE2 3.81Å; F305-F309 HydrophobicContact CD1-CE2 3.81Å; F305-F309 AromaticContact CE1-CE2 3.38Å; F305-F309 HydrophobicContact CE1-CE2 3.38Å; F305-F309 AromaticContact CE1-CZ 3.68Å; F305-F309 HydrophobicContact CE1-CZ 3.68Å; F305-F309 HydrophobicContact CE2-CE2 4.2Å; F305-F309 HydrophobicContact CE2-CZ 4.15Å; F305-F309 HydrophobicContact CG-CE2 4.4Å; F305-F309 AromaticContact CZ-CE2 3.6Å; F305-F309 HydrophobicContact CZ-CE2 3.6Å; F305-F309 AromaticContact CZ-CZ 3.46Å; F305-F309 HydrophobicContact CZ-CZ 3.46Å; F305-F309 VanDerWaalsContact CZ-CZ 3.46Å; F305-F309 VanDerWaalsContact O-CD2 3.28Å; F305-F309 WeakPolarHBondContact O-CD2 3.33Å; F305-F309 WeakPolarHBondContact O-CE2 3.42Å
306W86.8Confident89.9Confident185 Ų18574.6 Ų74.670%0.70135%0.345SS*.Hα-helixtrans-70.5-40.3176.6-67.1107.7000112.9S304 W308 F309 F310S304-W306 PolarHBondContact O-N 3.15Å; S304-W306 PolarHBondContact OG-N 3.21Å; W306-W308 PolarHBondContact O-N 3.16Å; W306-F309 HydrophobicContact CE3-CD2 4.49Å; W306-F309 PolarHBondContact O-N 2.85Å; W306-F310 VanDerWaalsContact O-CD2 3.24Å; W306-F310 WeakPolarHBondContact O-CD2 3.41Å; W306-F310 WeakPolarHBondContact O-CE2 3.46Å
307D87.4Confident89.7Confident29 Ų2985.1 Ų85.116%0.15538%0.382CS..Hα-helixtrans-65.5-30177.8-77.3-14.8000110.9V289 S292 V303 S304 F309 F310 F311V289-D307 HydrophobicContact CG1-CB 4.34Å; S292-D307 WeakPolarHBondContact CB-OD2 3.36Å; S292-D307 PolarHBondContact OG-OD2 3.19Å; S292-D307 VanDerWaalsContact OG-OD2 3.11Å; V303-D307 HydrophobicContact CG1-CB 3.63Å; S304-D307 PolarHBondContact O-N 3.24Å; D307-F309 VanDerWaalsContact C-N 3.28Å; D307-F309 PolarHBondContact O-N 2.79Å; D307-F310 WeakPolarHBondContact O-CB 3.16Å; D307-F310 PolarHBondContact O-N 2.93Å; D307-F310 VanDerWaalsContact O-N 3.09Å; D307-F311 WeakPolarHBondContact O-CE2 3.33Å
308W84.3Confident89.5Confident135 Ų13590.1 Ų90.151%0.51141%0.405SS..Hα-helixtrans-58.5-35.5178.6-178.680000113.8S304 F305 W306 F310 F311S304-W308 PolarHBondContact O-N 3.41Å; S304-W308 VanDerWaalsContact O-N 3.12Å; F305-W308 WeakPolarHBondContact O-CB 3.36Å; F305-W308 PolarHBondContact O-N 3.23Å; W306-W308 PolarHBondContact O-N 3.16Å; W308-F310 PolarHBondContact O-N 2.94Å; W308-F311 PolarHBondContact O-N 3.42Å
309F86.4Confident89.4Confident108 Ų10889.6 Ų89.647%0.47440%0.403SS..THydrogen-bonded Turntrans-66.9-14.8178.6-69.6-75.4000114.2F305 W306 D307F305-F309 AromaticContact CD1-CE2 3.81Å; F305-F309 HydrophobicContact CD1-CE2 3.81Å; F305-F309 AromaticContact CE1-CE2 3.38Å; F305-F309 HydrophobicContact CE1-CE2 3.38Å; F305-F309 AromaticContact CE1-CZ 3.68Å; F305-F309 HydrophobicContact CE1-CZ 3.68Å; F305-F309 HydrophobicContact CE2-CE2 4.2Å; F305-F309 HydrophobicContact CE2-CZ 4.15Å; F305-F309 HydrophobicContact CG-CE2 4.4Å; F305-F309 AromaticContact CZ-CE2 3.6Å; F305-F309 HydrophobicContact CZ-CE2 3.6Å; F305-F309 AromaticContact CZ-CZ 3.46Å; F305-F309 HydrophobicContact CZ-CZ 3.46Å; F305-F309 VanDerWaalsContact CZ-CZ 3.46Å; F305-F309 VanDerWaalsContact O-CD2 3.28Å; F305-F309 WeakPolarHBondContact O-CD2 3.33Å; F305-F309 WeakPolarHBondContact O-CE2 3.42Å; W306-F309 HydrophobicContact CE3-CD2 4.49Å; W306-F309 PolarHBondContact O-N 2.85Å; D307-F309 VanDerWaalsContact C-N 3.28Å; D307-F309 PolarHBondContact O-N 2.79Å
310F86.1Confident89.3Confident45 Ų4586 Ų8620%0.19740%0.399CS..THydrogen-bonded Turntrans-96.30-178.7-64-73.6000113.2Q13 E17 K287 V289 W306 D307 W308Q13-F310 HydrophobicContact CG-CE1 4.27Å; E17-F310 WeakPolarHBondContact OE1-CD1 3.35Å; E17-F310 WeakPolarHBondContact OE2-CD1 3.16Å; K287-F310 WeakPolarHBondContact CE-O 3.42Å; V289-F310 HydrophobicContact CB-CB 4.31Å; V289-F310 HydrophobicContact CG1-CB 3.77Å; V289-F310 HydrophobicContact CG1-CD2 3.84Å; V289-F310 HydrophobicContact CG1-CG 3.96Å; V289-F310 HydrophobicContact CG2-CB 3.78Å; W306-F310 VanDerWaalsContact O-CD2 3.24Å; W306-F310 WeakPolarHBondContact O-CD2 3.41Å; W306-F310 WeakPolarHBondContact O-CE2 3.46Å; D307-F310 WeakPolarHBondContact O-CB 3.16Å; D307-F310 PolarHBondContact O-N 2.93Å; D307-F310 VanDerWaalsContact O-N 3.09Å; W308-F310 PolarHBondContact O-N 2.94Å
311F88.4Confident89.2Confident18 Ų1882 Ų828%0.07938%0.382CS..  trans-96.2129.8169.7-54.8-60000109.6P265 E266 V289 W293 V303 D307 W308 Q313 V315P265-F311 HydrophobicContact CB-CD1 4.16Å; P265-F311 HydrophobicContact CB-CE1 3.8Å; P265-F311 HydrophobicContact CB-CZ 4.49Å; P265-F311 HydrophobicContact CG-CE1 4.01Å; E266-F311 HydrophobicContact CG-CB 4.14Å; E266-F311 HydrophobicContact CG-CD1 4.26Å; V289-F311 HydrophobicContact CB-CE1 4.19Å; V289-F311 HydrophobicContact CB-CZ 4.12Å; V289-F311 HydrophobicContact CG2-CD1 4.22Å; V289-F311 HydrophobicContact CG2-CE1 3.63Å; V289-F311 HydrophobicContact CG2-CZ 4.05Å; W293-F311 HydrophobicContact CB-CZ 3.98Å; W293-F311 HydrophobicContact CG-CZ 4.34Å; V303-F311 HydrophobicContact CG1-CE2 3.99Å; V303-F311 HydrophobicContact CG1-CZ 4.48Å; D307-F311 WeakPolarHBondContact O-CE2 3.33Å; W308-F311 PolarHBondContact O-N 3.42Å; F311-Q313 WeakPolarHBondContact CB-O 3.35Å; F311-Q313 PolarHBondContact O-N 2.88Å; F311-V315 HydrophobicContact CB-CG1 3.88Å; F311-V315 HydrophobicContact CD1-CG1 3.82Å; F311-V315 HydrophobicContact CD2-CG1 3.93Å; F311-V315 HydrophobicContact CD2-CG2 3.87Å; F311-V315 HydrophobicContact CE1-CG1 4.38Å; F311-V315 HydrophobicContact CE2-CG1 4.5Å; F311-V315 HydrophobicContact CE2-CG2 4.04Å; F311-V315 HydrophobicContact CG-CG1 3.59Å; F311-V315 HydrophobicContact CG-CG2 4.4Å
312W78.6Confident89.2Confident89 Ų8981.3 Ų81.334%0.33738%0.378SS..SBendtrans-77-11.5-18062.9-88.5000112.9Y20 E266Y20-W312 AromaticContact CD1-CD1 3.89Å; E266-W312 HydrophobicContact CB-CZ2 3.99Å; E266-W312 HydrophobicContact CG-CG 4.38Å
313Q86.8Confident89.4Confident81 Ų8181 Ų8138%0.37936%0.364SS..SBendtrans-146174.6171.263.6179.44.100111.6E266 F311 V315E266-Q313 HydrophobicContact CB-CG 3.72Å; E266-Q313 HydrophobicContact CG-CG 3.95Å; E266-Q313 PolarHBondContact O-NE2 3.41Å; F311-Q313 WeakPolarHBondContact CB-O 3.35Å; F311-Q313 PolarHBondContact O-N 2.88Å; Q313-V315 PolarHBondContact O-N 2.88Å
314R89.6Confident89.6Confident197 Ų19782.4 Ų82.474%0.74338%0.376SS*.  trans-60.7138175.5-67.3-176.3179.81801.6110L270L270-R314 HydrophobicContact CD1-CB 4.42Å; L270-R314 HydrophobicContact CD2-CB 3.89Å
315V92.9Very high90Very high20 Ų2082.7 Ų82.712%0.12137%0.368CS..  trans-112.3154.7175.8-60.70000109.7P265 E266 F311 Q313P265-V315 HydrophobicContact CB-CB 4.26Å; P265-V315 HydrophobicContact CB-CG1 3.72Å; E266-V315 HydrophobicContact CG-CG1 3.98Å; F311-V315 HydrophobicContact CB-CG1 3.88Å; F311-V315 HydrophobicContact CD1-CG1 3.82Å; F311-V315 HydrophobicContact CD2-CG1 3.93Å; F311-V315 HydrophobicContact CD2-CG2 3.87Å; F311-V315 HydrophobicContact CE1-CG1 4.38Å; F311-V315 HydrophobicContact CE2-CG1 4.5Å; F311-V315 HydrophobicContact CE2-CG2 4.04Å; F311-V315 HydrophobicContact CG-CG1 3.59Å; F311-V315 HydrophobicContact CG-CG2 4.4Å; Q313-V315 PolarHBondContact O-N 2.88Å
316P92.7Very high90.5Very high2 Ų276.2 Ų76.21%0.01334%0.34CS..  trans-59.4145.7175.6-7.314.4000110.9P265 T268 P269 W293P265-P316 WeakPolarHBondContact O-CD 3.08Å; T268-P316 HydrophobicContact CG2-CG 3.46Å; T268-P316 VanDerWaalsContact CG2-CG 3.46Å; P269-P316 WeakPolarHBondContact O-CG 3.28Å; W293-P316 HydrophobicContact CH2-CG 4.07Å; W293-P316 HydrophobicContact CZ2-CB 3.95Å; W293-P316 HydrophobicContact CZ2-CG 3.56Å; W293-P316 PolarHBondContact NE1-O 3.42Å
317R92Very high91Very high231 Ų23169.5 Ų69.587%0.87231%0.314SS*.SBendtrans-86.9-19.9173.3-66.5-176.2178.8173.9-0.2112.7M297M297-R317 VanDerWaalsContact CE-O 3.27Å; M297-R317 WeakPolarHBondContact CE-O 3.32Å
318E93.2Very high91.5Very high106 Ų10668.2 Ų68.250%0.49531%0.307SS..  trans-150.5145.9177.8-175.5176.1-175.700110.3M297 K300M297-E318 VanDerWaalsContact SD-CA 3.58Å; K300-E318 HydrophobicContact CD-CG 4.27Å; K300-E318 IonicContact NZ-OE1 3.11Å; K300-E318 PolarHBondContact NZ-OE1 3.3Å
319I94.7Very high92.2Very high0 Ų062 Ų620%028%0.284CS..  trans-110.9118.1157.6-69169.4000107T268 W272 F281 W293 M297 K300 L321 F326T268-I319 HydrophobicContact CG2-CD1 4.32Å; T268-I319 HydrophobicContact CG2-CG1 4.45Å; W272-I319 HydrophobicContact CD2-CG2 4.39Å; W272-I319 HydrophobicContact CE3-CG1 4.31Å; W272-I319 HydrophobicContact CE3-CG2 3.96Å; W272-I319 HydrophobicContact CH2-CG2 4.22Å; W272-I319 HydrophobicContact CZ3-CG1 4.35Å; W272-I319 HydrophobicContact CZ3-CG2 3.87Å; F281-I319 HydrophobicContact CD1-CD1 4.08Å; F281-I319 HydrophobicContact CD2-CD1 3.85Å; F281-I319 HydrophobicContact CE1-CD1 3.91Å; F281-I319 HydrophobicContact CE2-CD1 3.65Å; F281-I319 HydrophobicContact CG-CD1 4.05Å; F281-I319 HydrophobicContact CZ-CD1 3.68Å; W293-I319 HydrophobicContact CH2-CD1 3.48Å; W293-I319 VanDerWaalsContact CH2-CD1 3.48Å; W293-I319 HydrophobicContact CH2-CG1 4.17Å; W293-I319 HydrophobicContact CZ2-CD1 4.36Å; W293-I319 HydrophobicContact CZ3-CD1 3.98Å; M297-I319 HydrophobicContact CB-CD1 4.4Å; M297-I319 HydrophobicContact CG-CD1 4.17Å; M297-I319 HydrophobicContact CG-CG1 4.36Å; M297-I319 HydrophobicContact SD-CG1 4.45Å; K300-I319 PolarHBondContact NZ-O 3.42Å; I319-L321 HydrophobicContact CG2-CB 4.01Å; I319-L321 HydrophobicContact CG2-CD1 3.79Å; I319-L321 HydrophobicContact CG2-CG 3.66Å; I319-L321 PolarHBondContact O-N 2.94Å; I319-F326 HydrophobicContact CB-CE1 4.43Å; I319-F326 HydrophobicContact CB-CZ 3.97Å; I319-F326 HydrophobicContact CD1-CE1 4.03Å; I319-F326 HydrophobicContact CD1-CZ 4.43Å; I319-F326 HydrophobicContact CG2-CE1 4.34Å; I319-F326 HydrophobicContact CG2-CZ 3.81Å
320P94.1Very high92.7Very high71 Ų7157 Ų5746%0.46126%0.263SS..  trans-79.151.1-174.435.5-38.1000112.2W272W272-P320 VanDerWaalsContact CB-CD 3.41Å; W272-P320 HydrophobicContact CB-CG 3.62Å; W272-P320 VanDerWaalsContact CD1-CG 3.44Å; W272-P320 HydrophobicContact CD2-CG 4.36Å; W272-P320 VanDerWaalsContact CG-CD 3.42Å; W272-P320 HydrophobicContact CG-CG 3.52Å
321L94.4Very high93.2Very high9 Ų955.1 Ų55.15%0.04726%0.255CS..SBendtrans-118.2153.7175.4-60.9-179.9000110.8W272 F281 K300 I319 R325 F326W272-L321 HydrophobicContact CH2-CD1 3.91Å; W272-L321 HydrophobicContact CZ2-CD1 3.77Å; W272-L321 HydrophobicContact CZ2-CD2 4.17Å; W272-L321 HydrophobicContact CZ2-CG 4.1Å; F281-L321 HydrophobicContact CB-CD1 3.65Å; K300-L321 PolarHBondContact NZ-O 3.26Å; I319-L321 HydrophobicContact CG2-CB 4.01Å; I319-L321 HydrophobicContact CG2-CD1 3.79Å; I319-L321 HydrophobicContact CG2-CG 3.66Å; I319-L321 PolarHBondContact O-N 2.94Å; L321-R325 HydrophobicContact CB-CB 4.26Å; L321-R325 HydrophobicContact CD1-CB 4.48Å; L321-F326 HydrophobicContact CB-CE2 3.91Å; L321-F326 HydrophobicContact CB-CZ 4.4Å
322D93.1Very high93.6Very high81 Ų8154.5 Ų54.543%0.43325%0.252SS..  trans-68.4148.2170.8-56.7-57.8000110.8S324 R325 F326D322-S324 PolarHBondContact O-N 2.96Å; D322-S324 VanDerWaalsContact O-N 3.09Å; D322-R325 HydrophobicContact CB-CG 4.28Å; D322-R325 WeakPolarHBondContact O-CB 3.41Å; D322-R325 PolarHBondContact O-N 3.44Å; D322-R325 IonicContact OD2-CZ 3.27Å; D322-R325 VanDerWaalsContact OD2-CZ 3.27Å; D322-R325 IonicContact OD2-NE 2.97Å; D322-R325 PolarHBondContact OD2-NE 3.46Å; D322-R325 IonicContact OD2-NH2 2.8Å; D322-R325 PolarHBondContact OD2-NH2 2.98Å; D322-F326 WeakPolarHBondContact O-CD2 3.1Å
323P93.3Very high94.4Very high58 Ų5850.2 Ų50.238%0.37724%0.236SC..G310 helixtrans-49.3-36.5175.2-31.537.4000114.6I298 R325 F326I298-P323 HydrophobicContact CG2-CB 3.72Å; I298-P323 HydrophobicContact CG2-CG 3.98Å; P323-R325 PolarHBondContact O-N 2.78Å; P323-R325 VanDerWaalsContact O-N 3.13Å; P323-F326 PolarHBondContact O-N 3.39Å; P323-F326 VanDerWaalsContact O-N 3.15Å
324S93.1Very high94.9Very high71 Ų7146.6 Ų46.650%0.49722%0.219SC..G310 helixtrans-64.9-13.5178.4610000114.1D322 R327D322-S324 PolarHBondContact O-N 2.96Å; D322-S324 VanDerWaalsContact O-N 3.09Å; S324-R327 PolarHBondContact O-NH1 3.32Å
325R95.5Very high95.1Very high64 Ų6439.6 Ų39.624%0.24219%0.193CC..G310 helixtrans-993.6178.5-52.7-174.4-154.9-157.3-2.2113.5P277 S279 V280 F281 L321 D322 P323P277-R325 VanDerWaalsContact C-NH1 3.32Å; P277-R325 VanDerWaalsContact O-CZ 3.3Å; P277-R325 PolarHBondContact O-NH1 3.47Å; S279-R325 WeakPolarHBondContact O-CD 3.25Å; V280-R325 CarbonylContact C-O 3.29Å; V280-R325 WeakPolarHBondContact CA-O 3.34Å; V280-R325 VanDerWaalsContact CG1-O 3.3Å; V280-R325 WeakPolarHBondContact CG1-O 3.24Å; F281-R325 PolarHBondContact N-O 2.97Å; L321-R325 HydrophobicContact CB-CB 4.26Å; L321-R325 HydrophobicContact CD1-CB 4.48Å; D322-R325 HydrophobicContact CB-CG 4.28Å; D322-R325 WeakPolarHBondContact O-CB 3.41Å; D322-R325 PolarHBondContact O-N 3.44Å; D322-R325 IonicContact OD2-CZ 3.27Å; D322-R325 VanDerWaalsContact OD2-CZ 3.27Å; D322-R325 IonicContact OD2-NE 2.97Å; D322-R325 PolarHBondContact OD2-NE 3.46Å; D322-R325 IonicContact OD2-NH2 2.8Å; D322-R325 PolarHBondContact OD2-NH2 2.98Å; P323-R325 PolarHBondContact O-N 2.78Å; P323-R325 VanDerWaalsContact O-N 3.13Å
326F97.3Very high95.2Very high1 Ų139 Ų390%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-88.7141.1171.1-72-102.2000110L196 F281 M297 I298 I319 L321 D322 P323L196-F326 HydrophobicContact CD2-CB 3.73Å; F281-F326 HydrophobicContact CB-CD1 4.25Å; F281-F326 HydrophobicContact CB-CE1 4.32Å; F281-F326 AromaticContact CD1-CD1 3.71Å; F281-F326 HydrophobicContact CD1-CD1 3.71Å; F281-F326 AromaticContact CD1-CE1 3.81Å; F281-F326 HydrophobicContact CD1-CE1 3.81Å; F281-F326 HydrophobicContact CG-CD1 4.35Å; F281-F326 HydrophobicContact CG-CE1 4.26Å; F281-F326 CarbonylContact O-C 2.89Å; F281-F326 WeakPolarHBondContact O-CA 3.38Å; M297-F326 HydrophobicContact CB-CE1 4.28Å; M297-F326 HydrophobicContact CB-CZ 4.36Å; I298-F326 HydrophobicContact CD1-CB 4.1Å; I298-F326 HydrophobicContact CD1-CD1 4.23Å; I298-F326 HydrophobicContact CD1-CG 4.1Å; I298-F326 HydrophobicContact CG1-CB 4.15Å; I298-F326 HydrophobicContact CG1-CD1 3.73Å; I298-F326 HydrophobicContact CG1-CD2 3.85Å; I298-F326 HydrophobicContact CG1-CE1 4.03Å; I298-F326 HydrophobicContact CG1-CE2 4.14Å; I298-F326 HydrophobicContact CG1-CG 3.63Å; I298-F326 HydrophobicContact CG1-CZ 4.23Å; I319-F326 HydrophobicContact CB-CE1 4.43Å; I319-F326 HydrophobicContact CB-CZ 3.97Å; I319-F326 HydrophobicContact CD1-CE1 4.03Å; I319-F326 HydrophobicContact CD1-CZ 4.43Å; I319-F326 HydrophobicContact CG2-CE1 4.34Å; I319-F326 HydrophobicContact CG2-CZ 3.81Å; L321-F326 HydrophobicContact CB-CE2 3.91Å; L321-F326 HydrophobicContact CB-CZ 4.4Å; D322-F326 WeakPolarHBondContact O-CD2 3.1Å; P323-F326 PolarHBondContact O-N 3.39Å; P323-F326 VanDerWaalsContact O-N 3.15Å
327R97.6Very high95.3Very high44 Ų4439 Ų3917%0.16619%0.188CC..EExtended strand (participates in β ladder)trans-130.1140.5169.4-63.4-66.6178.4-79.53.8108.4F162 V280 F281 V282 A283 S324F162-R327 HydrophobicContact CD1-CB 3.74Å; F162-R327 HydrophobicContact CD1-CG 4.38Å; F162-R327 HydrophobicContact CD2-CG 4.35Å; F162-R327 HydrophobicContact CE1-CB 3.99Å; F162-R327 HydrophobicContact CE1-CG 4.47Å; F162-R327 HydrophobicContact CE2-CG 4.43Å; F162-R327 HydrophobicContact CG-CB 4.04Å; F162-R327 HydrophobicContact CG-CG 4.33Å; F162-R327 HydrophobicContact CZ-CB 4.49Å; F162-R327 HydrophobicContact CZ-CG 4.48Å; V280-R327 HydrophobicContact CG1-CB 4.31Å; V280-R327 HydrophobicContact CG1-CG 3.53Å; F281-R327 PolarHBondContact O-N 3.15Å; V282-R327 WeakPolarHBondContact CA-O 3.43Å; V282-R327 HydrophobicContact CG2-CB 4.1Å; A283-R327 PolarHBondContact N-O 3.34Å; S324-R327 PolarHBondContact O-NH1 3.32Å
328L98.1Very high95.5Very high1 Ų128 Ų281%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-97.8118.4170.4178.562.2000108.6F162 L163 F182 V189 L192 L193 L196 A283 I285 N330F162-L328 VanDerWaalsContact CA-O 3.28Å; F162-L328 WeakPolarHBondContact CA-O 3.21Å; L163-L328 HydrophobicContact CB-CD2 4.38Å; L163-L328 HydrophobicContact CD1-CD2 4.07Å; L163-L328 HydrophobicContact CD1-CG 4.44Å; L163-L328 PolarHBondContact N-O 3.14Å; F182-L328 HydrophobicContact CZ-CD2 4.41Å; V189-L328 HydrophobicContact CG1-CD2 4.4Å; L192-L328 HydrophobicContact CD2-CD1 4.33Å; L192-L328 HydrophobicContact CD2-CD2 4.18Å; L193-L328 HydrophobicContact CD2-CD2 3.88Å; L196-L328 HydrophobicContact CD1-CB 3.55Å; A283-L328 HydrophobicContact CB-CD1 4.44Å; I285-L328 HydrophobicContact CD1-CD1 3.94Å; I285-L328 HydrophobicContact CG1-CD1 3.54Å; L328-N330 PolarHBondContact O-N 3Å
329L98.3Very high95.5Very high5 Ų524 Ų243%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-60.5134176.1-173.878.8000110M262 V282 A283 V284 P331 V333 I334 T364 L368M262-L329 HydrophobicContact CE-CD1 3.8Å; M262-L329 HydrophobicContact CE-CD2 3.48Å; M262-L329 VanDerWaalsContact CE-CD2 3.48Å; M262-L329 HydrophobicContact CE-CG 4.17Å; V282-L329 HydrophobicContact CG1-CB 4.09Å; V282-L329 HydrophobicContact CG1-CD1 4.23Å; A283-L329 WeakPolarHBondContact O-CB 3.36Å; A283-L329 PolarHBondContact O-N 3.15Å; V284-L329 HydrophobicContact CG1-CD2 4.23Å; V284-L329 HydrophobicContact CG2-CB 4.33Å; V284-L329 HydrophobicContact CG2-CD2 4Å; L329-P331 WeakPolarHBondContact O-CD 3.31Å; L329-V333 HydrophobicContact CD1-CB 4.34Å; L329-V333 HydrophobicContact CD1-CG1 4.41Å; L329-V333 HydrophobicContact CD1-CG2 4.33Å; L329-I334 HydrophobicContact CD2-CD1 3.68Å; L329-I334 HydrophobicContact CD2-CG1 3.78Å; L329-T364 HydrophobicContact CD2-CG2 3.66Å; L329-L368 HydrophobicContact CD1-CD1 4.06Å; L329-L368 HydrophobicContact CD1-CD2 4.06Å; L329-L368 HydrophobicContact CD1-CG 4.45Å
330N97.4Very high95.4Very high4 Ų426.3 Ų26.32%0.02114%0.141CC..PPolyproline II helixtrans-71.2122.5171.5-174.5-15.5000110.5Q160 P161 L163 L328 D332 V333Q160-N330 WeakPolarHBondContact O-CB 3.21Å; Q160-N330 PolarHBondContact O-ND2 3.13Å; Q160-N330 VanDerWaalsContact O-ND2 3.09Å; P161-N330 PolarHBondContact O-N 2.88Å; L163-N330 HydrophobicContact CD2-CB 4.07Å; L163-N330 HydrophobicContact CG-CB 4.17Å; L328-N330 PolarHBondContact O-N 3Å; N330-D332 PolarHBondContact O-N 2.94Å; N330-D332 WeakPolarHBondContact OD1-CB 3.37Å; N330-D332 PolarHBondContact OD1-N 3.45Å; N330-V333 HydrophobicContact CB-CG2 4.41Å; N330-V333 WeakPolarHBondContact O-CB 3.48Å; N330-V333 WeakPolarHBondContact O-CG2 3.32Å; N330-V333 PolarHBondContact O-N 3.26Å
331P96.9Very high95.5Very high5 Ų523.2 Ų23.23%0.03212%0.12CC..Hα-helixtrans-57.4-20.9177.5-25.534.6000114.9L173 F182 L329 V333 I334 R335L173-P331 HydrophobicContact CD2-CB 4.31Å; F182-P331 HydrophobicContact CD2-CG 4.11Å; F182-P331 HydrophobicContact CE1-CG 4.06Å; F182-P331 HydrophobicContact CE2-CG 3.4Å; F182-P331 HydrophobicContact CZ-CG 3.36Å; L329-P331 WeakPolarHBondContact O-CD 3.31Å; P331-V333 PolarHBondContact O-N 2.82Å; P331-I334 PolarHBondContact O-N 2.94Å; P331-I334 VanDerWaalsContact O-N 3.14Å; P331-R335 PolarHBondContact O-N 3.15Å
332D95.5Very high95.5Very high4 Ų422.9 Ų22.92%0.02112%0.119CC..Hα-helixtrans-58.4-31.6172.4-75.1-14.5000111.8V159 R172 L173 N330 R335 Q336V159-D332 HydrophobicContact CG1-CB 3.85Å; R172-D332 IonicContact CZ-OD2 2.83Å; R172-D332 VanDerWaalsContact CZ-OD2 3.26Å; R172-D332 IonicContact NE-OD1 2.79Å; R172-D332 IonicContact NE-OD2 3.91Å; R172-D332 PolarHBondContact NE-OD2 3.01Å; R172-D332 IonicContact NH2-OD2 3.26Å; R172-D332 PolarHBondContact NH2-OD2 2.83Å; L173-D332 WeakPolarHBondContact CD2-OD1 3.45Å; N330-D332 PolarHBondContact O-N 2.94Å; N330-D332 WeakPolarHBondContact OD1-CB 3.37Å; N330-D332 PolarHBondContact OD1-N 3.45Å; D332-R335 PolarHBondContact O-N 2.97Å; D332-R335 IonicContact OD1-CZ 3.86Å; D332-R335 IonicContact OD1-NH1 2.61Å; D332-R335 PolarHBondContact OD1-NH1 3.36Å; D332-R335 IonicContact OD1-NH2 3.66Å; D332-R335 PolarHBondContact OD1-NH2 3.19Å; D332-R335 IonicContact OD2-NH2 2.76Å; D332-Q336 VanDerWaalsContact O-CB 3.29Å; D332-Q336 WeakPolarHBondContact O-CB 3.26Å; D332-Q336 PolarHBondContact O-N 3.36Å
333V96.9Very high95.5Very high0 Ų023.7 Ų23.70%012%0.118CC..Hα-helixtrans-63.5-46.1174.8-179.10000110.5V159 L329 N330 P331 T337 T364 L371V159-V333 HydrophobicContact CG1-CG2 3.7Å; L329-V333 HydrophobicContact CD1-CB 4.34Å; L329-V333 HydrophobicContact CD1-CG1 4.41Å; L329-V333 HydrophobicContact CD1-CG2 4.33Å; N330-V333 HydrophobicContact CB-CG2 4.41Å; N330-V333 WeakPolarHBondContact O-CB 3.48Å; N330-V333 WeakPolarHBondContact O-CG2 3.32Å; N330-V333 PolarHBondContact O-N 3.26Å; P331-V333 PolarHBondContact O-N 2.82Å; V333-T337 WeakPolarHBondContact O-CB 3.49Å; V333-T337 PolarHBondContact O-N 3.3Å; V333-T337 PolarHBondContact O-OG1 3.13Å; V333-T364 HydrophobicContact CG1-CG2 4.23Å; V333-L371 HydrophobicContact CG2-CD1 3.85Å
334I96.1Very high95.4Very high4 Ų421.4 Ų21.42%0.02110%0.103CC..Hα-helixtrans-65.9-44.9177.4-65.4158.2000110.1P179 F180 V284 L329 P331 T337 A338 P359 T364P179-I334 HydrophobicContact CB-CD1 4.19Å; P179-I334 HydrophobicContact CB-CG2 4.39Å; P179-I334 HydrophobicContact CG-CG2 4.43Å; P179-I334 WeakPolarHBondContact O-CD1 3.47Å; F180-I334 HydrophobicContact CD1-CG2 4.07Å; F180-I334 HydrophobicContact CE1-CG2 4.02Å; V284-I334 HydrophobicContact CG1-CD1 3.86Å; L329-I334 HydrophobicContact CD2-CD1 3.68Å; L329-I334 HydrophobicContact CD2-CG1 3.78Å; P331-I334 PolarHBondContact O-N 2.94Å; P331-I334 VanDerWaalsContact O-N 3.14Å; I334-T337 PolarHBondContact O-N 3.15Å; I334-A338 WeakPolarHBondContact O-CB 3.49Å; I334-A338 PolarHBondContact O-N 3.29Å; I334-P359 HydrophobicContact CG2-CG 3.98Å; I334-T364 HydrophobicContact CD1-CG2 4.49Å; I334-T364 HydrophobicContact CG1-CG2 3.49Å; I334-T364 VanDerWaalsContact CG1-CG2 3.49Å
335R94.3Very high95.2Very high50 Ų5020.7 Ų20.719%0.18910%0.096CC..Hα-helixtrans-63.5-44.4-178.8-168.2174.771.2-123.6-3.9112.1F180 P331 D332 A338 L339F180-R335 HydrophobicContact CD1-CB 4.35Å; P331-R335 PolarHBondContact O-N 3.15Å; D332-R335 PolarHBondContact O-N 2.97Å; D332-R335 IonicContact OD1-CZ 3.86Å; D332-R335 IonicContact OD1-NH1 2.61Å; D332-R335 PolarHBondContact OD1-NH1 3.36Å; D332-R335 IonicContact OD1-NH2 3.66Å; D332-R335 PolarHBondContact OD1-NH2 3.19Å; D332-R335 IonicContact OD2-NH2 2.76Å; R335-A338 PolarHBondContact O-N 3.01Å; R335-L339 HydrophobicContact CG-CD1 3.58Å; R335-L339 HydrophobicContact CG-CG 4.1Å; R335-L339 WeakPolarHBondContact O-CB 3.07Å; R335-L339 WeakPolarHBondContact O-CG 3.43Å; R335-L339 PolarHBondContact O-N 2.89Å
336Q94.9Very high94.7Very high7 Ų723.8 Ų23.83%0.03311%0.111CC..Iπ-helixtrans-62.8-44175.1-179.8172.176.700110.9A155 D332 A338 D340 F341A155-Q336 HydrophobicContact CB-CG 4.16Å; A155-Q336 PolarHBondContact O-NE2 3.08Å; A155-Q336 VanDerWaalsContact O-NE2 3.08Å; D332-Q336 VanDerWaalsContact O-CB 3.29Å; D332-Q336 WeakPolarHBondContact O-CB 3.26Å; D332-Q336 PolarHBondContact O-N 3.36Å; Q336-A338 PolarHBondContact O-N 2.95Å; Q336-D340 HydrophobicContact CG-CB 4.16Å; Q336-D340 WeakPolarHBondContact O-CA 3.4Å; Q336-D340 WeakPolarHBondContact O-CB 3.33Å; Q336-D340 PolarHBondContact O-N 3.45Å; Q336-F341 HydrophobicContact CG-CD2 4.39Å; Q336-F341 HydrophobicContact CG-CE1 4.36Å; Q336-F341 HydrophobicContact CG-CE2 3.85Å; Q336-F341 HydrophobicContact CG-CZ 3.83Å; Q336-F341 PolarHBondContact O-N 2.98Å
337T95.9Very high93.8Very high2 Ų225.3 Ų25.31%0.01212%0.121CC..Iπ-helixtrans-58.6-48.4176.7-54.40000111.5V333 I334 L342 P359 M363 S367V333-T337 WeakPolarHBondContact O-CB 3.49Å; V333-T337 PolarHBondContact O-N 3.3Å; V333-T337 PolarHBondContact O-OG1 3.13Å; I334-T337 PolarHBondContact O-N 3.15Å; T337-L342 HydrophobicContact CG2-CD1 4.12Å; T337-L342 WeakPolarHBondContact O-CB 3.23Å; T337-L342 WeakPolarHBondContact O-CG 3.43Å; T337-L342 PolarHBondContact O-N 2.92Å; T337-P359 HydrophobicContact CG2-CB 4.01Å; T337-P359 HydrophobicContact CG2-CG 4.19Å; T337-M363 HydrophobicContact CG2-CB 3.97Å; T337-S367 WeakPolarHBondContact OG1-CB 2.9Å; T337-S367 PolarHBondContact OG1-OG 3.08Å; T337-S367 VanDerWaalsContact OG1-OG 3.06Å
338A94.7Very high92.8Very high0 Ų031.3 Ų31.30%014%0.144CC..Iπ-helixtrans-69.3-54.4-177.900000112.8F180 I334 R335 Q336 L342 K343 Y344 P359F180-A338 HydrophobicContact CE1-CB 3.65Å; F180-A338 HydrophobicContact CZ-CB 4.43Å; I334-A338 WeakPolarHBondContact O-CB 3.49Å; I334-A338 PolarHBondContact O-N 3.29Å; R335-A338 PolarHBondContact O-N 3.01Å; Q336-A338 PolarHBondContact O-N 2.95Å; A338-L342 CarbonylContact O-C 3.41Å; A338-K343 PolarHBondContact O-N 3.02Å; A338-K343 VanDerWaalsContact O-N 3.13Å; A338-Y344 HydrophobicContact CB-CD2 4.05Å; A338-Y344 WeakPolarHBondContact O-CB 3.29Å; A338-Y344 PolarHBondContact O-N 3.33Å; A338-P359 HydrophobicContact CB-CG 4.22Å
339L93.3Very high91.3Very high24 Ų2439.2 Ų39.213%0.12617%0.174CC..Iπ-helixtrans-90.3-36.4-166.1-55.4-173.6000112.3R335 K343 K346R335-L339 HydrophobicContact CG-CD1 3.58Å; R335-L339 HydrophobicContact CG-CG 4.1Å; R335-L339 WeakPolarHBondContact O-CB 3.07Å; R335-L339 WeakPolarHBondContact O-CG 3.43Å; R335-L339 PolarHBondContact O-N 2.89Å; L339-K343 WeakPolarHBondContact O-CA 3.48Å; L339-K343 WeakPolarHBondContact O-CD 3.45Å; L339-K346 HydrophobicContact CD1-CG 4.35Å; L339-K346 HydrophobicContact CD2-CG 4.43Å
340D94.1Very high89.6Confident47 Ų4745.5 Ų45.525%0.25120%0.197SC..Iπ-helixtrans-95.4-42.8-172.8-54-30.1000111.6A155 Q336 K343A155-D340 HydrophobicContact CB-CB 3.65Å; Q336-D340 HydrophobicContact CG-CB 4.16Å; Q336-D340 WeakPolarHBondContact O-CA 3.4Å; Q336-D340 WeakPolarHBondContact O-CB 3.33Å; Q336-D340 PolarHBondContact O-N 3.45Å; D340-K343 WeakPolarHBondContact O-CD 3.45Å; D340-K343 WeakPolarHBondContact O-CE 3.41Å; D340-K343 PolarHBondContact O-NZ 2.86Å
341F95Very high87.5Confident6 Ų651.3 Ų51.33%0.02623%0.228CC..Iπ-helixtrans-85.5-55.7179-59.9-31.6000112.3L148 L149 F152 A155 Q336 K343 F417L148-F341 HydrophobicContact CD1-CD1 4.39Å; L148-F341 HydrophobicContact CD1-CE1 4.35Å; L148-F341 HydrophobicContact CD2-CD2 4.29Å; L148-F341 HydrophobicContact CD2-CE1 4.24Å; L148-F341 HydrophobicContact CD2-CE2 3.67Å; L148-F341 HydrophobicContact CD2-CZ 3.65Å; L148-F341 HydrophobicContact CG-CD1 4.46Å; L148-F341 HydrophobicContact CG-CE1 3.94Å; L148-F341 HydrophobicContact CG-CE2 4.26Å; L148-F341 HydrophobicContact CG-CZ 3.85Å; L149-F341 HydrophobicContact CD2-CE1 4.35Å; L149-F341 HydrophobicContact CD2-CZ 4.33Å; F152-F341 HydrophobicContact CB-CD1 3.74Å; F152-F341 HydrophobicContact CB-CE1 4.06Å; F152-F341 AromaticContact CD2-CD1 4Å; F152-F341 HydrophobicContact CD2-CD1 4Å; F152-F341 AromaticContact CG-CD1 3.9Å; F152-F341 HydrophobicContact CG-CD1 3.9Å; A155-F341 HydrophobicContact CB-CD1 3.92Å; A155-F341 HydrophobicContact CB-CE1 3.28Å; A155-F341 HydrophobicContact CB-CZ 3.98Å; Q336-F341 HydrophobicContact CG-CD2 4.39Å; Q336-F341 HydrophobicContact CG-CE1 4.36Å; Q336-F341 HydrophobicContact CG-CE2 3.85Å; Q336-F341 HydrophobicContact CG-CZ 3.83Å; Q336-F341 PolarHBondContact O-N 2.98Å; F341-K343 VanDerWaalsContact C-N 3.33Å; F341-K343 PolarHBondContact O-N 2.8Å; F341-F417 HydrophobicContact CB-CE2 3.71Å; F341-F417 HydrophobicContact CB-CZ 3.82Å; F341-F417 HydrophobicContact CG-CZ 4.38Å
342L94.6Very high85.5Confident3 Ų361.3 Ų61.32%0.01627%0.265CS..SBendtrans-82.8-8.4-178-67.5166.9000113.3T337 A338 Y344 P359 M363 K413 E414 F417T337-L342 HydrophobicContact CG2-CD1 4.12Å; T337-L342 WeakPolarHBondContact O-CB 3.23Å; T337-L342 WeakPolarHBondContact O-CG 3.43Å; T337-L342 PolarHBondContact O-N 2.92Å; A338-L342 CarbonylContact O-C 3.41Å; L342-Y344 HydrophobicContact CB-CD1 4.11Å; L342-Y344 HydrophobicContact CB-CD2 4.03Å; L342-Y344 HydrophobicContact CB-CE1 4.04Å; L342-Y344 HydrophobicContact CB-CE2 4.01Å; L342-Y344 HydrophobicContact CB-CG 4.12Å; L342-Y344 HydrophobicContact CD1-CD2 4.25Å; L342-Y344 HydrophobicContact CD1-CE2 3.59Å; L342-Y344 HydrophobicContact CG-CE2 4.41Å; L342-Y344 PolarHBondContact O-N 3.15Å; L342-Y344 VanDerWaalsContact O-N 3.15Å; L342-P359 HydrophobicContact CD1-CB 3.77Å; L342-M363 HydrophobicContact CD1-CB 4.39Å; L342-M363 HydrophobicContact CD1-CG 4.37Å; L342-M363 HydrophobicContact CD2-CE 4.49Å; L342-K413 VanDerWaalsContact O-CD 3.23Å; L342-K413 WeakPolarHBondContact O-CD 3.43Å; L342-K413 WeakPolarHBondContact O-CE 3.4Å; L342-K413 PolarHBondContact O-NZ 3.04Å; L342-E414 HydrophobicContact CD1-CG 4.12Å; L342-E414 HydrophobicContact CD2-CG 4.06Å; L342-F417 HydrophobicContact CD2-CB 3.68Å; L342-F417 HydrophobicContact CD2-CD1 4.07Å; L342-F417 HydrophobicContact CD2-CD2 4.23Å; L342-F417 HydrophobicContact CD2-CG 3.74Å
343K93.1Very high83.7Confident97 Ų9763.8 Ų63.842%0.42229%0.291SS..  trans52.237.1179.7-55.2-54.3-169.5-166.60113S154 A338 L339 D340 F341 K413S154-K343 PolarHBondContact OG-NZ 3.01Å; A338-K343 PolarHBondContact O-N 3.02Å; A338-K343 VanDerWaalsContact O-N 3.13Å; L339-K343 WeakPolarHBondContact O-CA 3.48Å; L339-K343 WeakPolarHBondContact O-CD 3.45Å; D340-K343 WeakPolarHBondContact O-CD 3.45Å; D340-K343 WeakPolarHBondContact O-CE 3.41Å; D340-K343 PolarHBondContact O-NZ 2.86Å; F341-K343 VanDerWaalsContact C-N 3.33Å; F341-K343 PolarHBondContact O-N 2.8Å; K343-K413 VanDerWaalsContact C-NZ 3.35Å; K343-K413 PolarHBondContact O-NZ 3.19Å
344Y91.9Very high81.9Confident11 Ų1168.4 Ų68.44%0.04331%0.309CS..PPolyproline II helixtrans-67.6154175.6-71.9-26000111.4A338 L342 K346 N357 P359 N410 K413 E414A338-Y344 HydrophobicContact CB-CD2 4.05Å; A338-Y344 WeakPolarHBondContact O-CB 3.29Å; A338-Y344 PolarHBondContact O-N 3.33Å; L342-Y344 HydrophobicContact CB-CD1 4.11Å; L342-Y344 HydrophobicContact CB-CD2 4.03Å; L342-Y344 HydrophobicContact CB-CE1 4.04Å; L342-Y344 HydrophobicContact CB-CE2 4.01Å; L342-Y344 HydrophobicContact CB-CG 4.12Å; L342-Y344 HydrophobicContact CD1-CD2 4.25Å; L342-Y344 HydrophobicContact CD1-CE2 3.59Å; L342-Y344 HydrophobicContact CG-CE2 4.41Å; L342-Y344 PolarHBondContact O-N 3.15Å; L342-Y344 VanDerWaalsContact O-N 3.15Å; Y344-K346 PolarHBondContact O-N 3.25Å; Y344-N357 VanDerWaalsContact CD2-C 3.48Å; Y344-N357 WeakPolarHBondContact CD2-O 3.43Å; Y344-N357 HydrophobicContact CG-CB 4.5Å; Y344-P359 HydrophobicContact CE2-CB 4.35Å; Y344-N410 HydrophobicContact CE1-CB 3.75Å; Y344-N410 PolarHBondContact OH-O 3.2Å; Y344-K413 HydrophobicContact CD1-CD 3.77Å; Y344-K413 HydrophobicContact CE1-CB 4.15Å; Y344-K413 HydrophobicContact CE1-CD 3.52Å; Y344-K413 HydrophobicContact CE1-CG 4.27Å; Y344-E414 WeakPolarHBondContact OH-CG 3.33Å; Y344-E414 PolarHBondContact OH-OE1 2.86Å
345P87.6Confident80.6Confident56 Ų5669.4 Ų69.436%0.36431%0.314SS..PPolyproline II helixtrans-61.7138.417426.5-33.3000109.7N357P345-N357 HydrophobicContact CG-CB 4.23Å; P345-N357 WeakPolarHBondContact O-CB 3.39Å; P345-N357 PolarHBondContact O-ND2 3.33Å
346K85.4Confident79.6Confident128 Ų12870.7 Ų70.756%0.55732%0.322SS*.PPolyproline II helixtrans-53.2144.7174.2-68.7-174.3179.1-179.40110L339 Y344 R348L339-K346 HydrophobicContact CD1-CG 4.35Å; L339-K346 HydrophobicContact CD2-CG 4.43Å; Y344-K346 PolarHBondContact O-N 3.25Å; K346-R348 PolarHBondContact O-N 2.84Å; K346-R348 VanDerWaalsContact O-N 3.14Å
347P78.7Confident79.1Confident33 Ų3370.9 Ų70.921%0.21432%0.323CS..PPolyproline II helixtrans-55.3121.2176.9-23.333.5000110.3Y176 F180 N357Y176-P347 HydrophobicContact CD1-CB 4.48Å; Y176-P347 HydrophobicContact CD1-CG 4.27Å; F180-P347 HydrophobicContact CD2-CB 4.2Å; F180-P347 HydrophobicContact CD2-CG 3.34Å; F180-P347 HydrophobicContact CE2-CB 4.29Å; F180-P347 HydrophobicContact CE2-CG 3.48Å; F180-P347 VanDerWaalsContact CE2-CG 3.48Å; F180-P347 HydrophobicContact CG-CG 3.94Å; F180-P347 HydrophobicContact CZ-CG 4.18Å; P347-N357 WeakPolarHBondContact CA-ND2 3.18Å
348R76.3Confident78.8Confident170 Ų17071.8 Ų71.864%0.64233%0.329SS*.  trans-121.5148.7176.1-73.4178177.7129.5-4.4109.2K346 R350 D355K346-R348 PolarHBondContact O-N 2.84Å; K346-R348 VanDerWaalsContact O-N 3.14Å; R348-R350 PolarHBondContact O-N 3.04Å; R348-D355 PolarHBondContact N-OD2 3.4Å
349W67.6Low78.7Confident168 Ų16871.8 Ų71.864%0.63633%0.329SS*.  trans-71.4127.8169.3-177.872.3000109.1L351W349-L351 HydrophobicContact CH2-CB 4.17Å; W349-L351 HydrophobicContact CH2-CD1 3.55Å; W349-L351 HydrophobicContact CH2-CG 3.82Å; W349-L351 HydrophobicContact CZ2-CD1 4.43Å; W349-L351 HydrophobicContact CZ2-CG 4.27Å; W349-L351 HydrophobicContact CZ3-CD1 4.14Å
350R62.1Low78.8Confident137 Ų13771.5 Ų71.552%0.51733%0.328SS..  trans-124.7148.4170-64.1-167.4-170.4-152.46110.1R348 D355R348-R350 PolarHBondContact O-N 3.04Å; R350-D355 IonicContact CZ-OD1 3.98Å; R350-D355 IonicContact NE-OD1 3.61Å; R350-D355 PolarHBondContact NE-OD1 3.49Å; R350-D355 IonicContact NE-OD2 3.8Å; R350-D355 IonicContact NH2-OD1 2.62Å; R350-D355 PolarHBondContact NH2-OD1 2.74Å
351L53.7Low78.9Confident126 Ų12669.7 Ų69.766%0.6632%0.318SS*.SBendtrans-79-30.9176.4-139.1142.6000111.1W349W349-L351 HydrophobicContact CH2-CB 4.17Å; W349-L351 HydrophobicContact CH2-CD1 3.55Å; W349-L351 HydrophobicContact CH2-CG 3.82Å; W349-L351 HydrophobicContact CZ2-CD1 4.43Å; W349-L351 HydrophobicContact CZ2-CG 4.27Å; W349-L351 HydrophobicContact CZ3-CD1 4.14Å
352W53.3Low79Confident214 Ų21469.8 Ų69.881%0.81132%0.321SS*.SBendtrans-145.7149.3177.3-69.196.9000111.3
353G58.2Low79.1Confident56 Ų5669.7 Ų69.758%0.57732%0.321SS*.SBendtrans86.4169177.600000114.7
354W59.9Low79.3Confident98 Ų9865.1 Ų65.137%0.37130%0.301SS..  trans-109.6132.6-178.2-58.393.8000110L16 Y20 Q356L16-W354 HydrophobicContact CD2-CH2 4.43Å; L16-W354 VanDerWaalsContact O-CH2 3.3Å; L16-W354 WeakPolarHBondContact O-CH2 3.4Å; Y20-W354 HydrophobicContact CE2-CZ3 4.47Å; W354-Q356 PolarHBondContact O-N 3.15Å
355D67.8Low79.6Confident25 Ų2564.6 Ų64.613%0.13430%0.299CS..  trans-74.4112.6160.2-73.8-34.1000106R348 R350 N357R348-D355 PolarHBondContact N-OD2 3.4Å; R350-D355 IonicContact CZ-OD1 3.98Å; R350-D355 IonicContact NE-OD1 3.61Å; R350-D355 PolarHBondContact NE-OD1 3.49Å; R350-D355 IonicContact NE-OD2 3.8Å; R350-D355 IonicContact NH2-OD1 2.62Å; R350-D355 PolarHBondContact NH2-OD1 2.74Å; D355-N357 HydrophobicContact CB-CB 4.04Å; D355-N357 VanDerWaalsContact CB-CG 3.48Å; D355-N357 VanDerWaalsContact CB-ND2 3.33Å; D355-N357 WeakPolarHBondContact CB-ND2 3.3Å; D355-N357 PolarHBondContact O-N 3.4Å; D355-N357 PolarHBondContact O-OD1 2.98Å
356Q73.1Confident80.1Confident77 Ų7762.2 Ų62.236%0.3628%0.283SS..  trans-69.756.9170-75.8178.8-13.100110.6W354 K407 M408 N410W354-Q356 PolarHBondContact O-N 3.15Å; Q356-K407 WeakPolarHBondContact CG-O 3.25Å; Q356-M408 WeakPolarHBondContact CA-O 3.41Å; Q356-N410 HydrophobicContact CB-CB 4.15Å
357N84.9Confident80.7Confident10 Ų1056.2 Ų56.25%0.05326%0.257CS..  trans-115.4-2.8-170.268.9-0.8000113.2F180 Y344 P345 P347 D355F180-N357 VanDerWaalsContact CZ-O 3.3Å; F180-N357 WeakPolarHBondContact CZ-O 3.31Å; Y344-N357 VanDerWaalsContact CD2-C 3.48Å; Y344-N357 WeakPolarHBondContact CD2-O 3.43Å; Y344-N357 HydrophobicContact CG-CB 4.5Å; P345-N357 HydrophobicContact CG-CB 4.23Å; P345-N357 WeakPolarHBondContact O-CB 3.39Å; P345-N357 PolarHBondContact O-ND2 3.33Å; P347-N357 WeakPolarHBondContact CA-ND2 3.18Å; D355-N357 HydrophobicContact CB-CB 4.04Å; D355-N357 VanDerWaalsContact CB-CG 3.48Å; D355-N357 VanDerWaalsContact CB-ND2 3.33Å; D355-N357 WeakPolarHBondContact CB-ND2 3.3Å; D355-N357 PolarHBondContact O-N 3.4Å; D355-N357 PolarHBondContact O-OD1 2.98Å
358V89.9Confident81.6Confident21 Ų2154.7 Ų54.713%0.12725%0.247CC..SBendtrans-88.6123.6172.9-178.70000107.4P179 F180 Y286 H409P179-V358 HydrophobicContact CG-CG1 3.85Å; P179-V358 HydrophobicContact CG-CG2 3.94Å; F180-V358 HydrophobicContact CE2-CG2 4.11Å; F180-V358 HydrophobicContact CZ-CG2 3.99Å; Y286-V358 HydrophobicContact CD1-CG1 4.38Å; Y286-V358 HydrophobicContact CE1-CG1 3.79Å; V358-H409 PolarHBondContact O-ND1 3.34Å
359P93.4Very high82.6Confident0 Ų046.6 Ų46.60%022%0.217CC..PPolyproline II helixtrans-70151.4174.627.5-32.2000110.7I334 T337 A338 L342 Y344 M363 H409 E414I334-P359 HydrophobicContact CG2-CG 3.98Å; T337-P359 HydrophobicContact CG2-CB 4.01Å; T337-P359 HydrophobicContact CG2-CG 4.19Å; A338-P359 HydrophobicContact CB-CG 4.22Å; L342-P359 HydrophobicContact CD1-CB 3.77Å; Y344-P359 HydrophobicContact CE2-CB 4.35Å; P359-M363 HydrophobicContact CB-CB 4.04Å; P359-H409 PolarHBondContact O-CE1 2.96Å; P359-E414 WeakPolarHBondContact CA-OE1 3.39Å
360T94.2Very high84Confident18 Ų1838.8 Ų38.811%0.1119%0.188CC..PPolyproline II helixtrans-59.1157.6169.161.90000110.9G362 M363 T364 H409 E414T360-G362 PolarHBondContact O-N 3.28Å; T360-M363 PolarHBondContact O-N 3.35Å; T360-M363 VanDerWaalsContact O-N 3.16Å; T360-M363 WeakPolarHBondContact OG1-CG 3.49Å; T360-M363 PolarHBondContact OG1-N 2.71Å; T360-T364 PolarHBondContact O-N 2.76Å; T360-T364 VanDerWaalsContact O-N 3.15Å; T360-T364 PolarHBondContact O-OG1 3.22Å; T360-H409 HydrophobicContact CG2-CB 3.81Å; T360-H409 PolarHBondContact N-ND1 3.31Å; T360-E414 VanDerWaalsContact CB-OE2 3.29Å; T360-E414 WeakPolarHBondContact CB-OE2 3.13Å; T360-E414 WeakPolarHBondContact CG2-OE2 3.2Å; T360-E414 PolarHBondContact N-OE1 3.04Å; T360-E414 PolarHBondContact OG1-OE2 3.27Å
361L95.8Very high85.6Confident9 Ų934.1 Ų34.15%0.04717%0.173CC..Hα-helixtrans-59.6-31.2175.2-168.664000111.6L242 N243 M262 V284 T364 A365L242-L361 HydrophobicContact CB-CD2 4.39Å; L242-L361 HydrophobicContact CD2-CG 4.39Å; N243-L361 WeakPolarHBondContact OD1-CD2 3.33Å; M262-L361 HydrophobicContact CE-CD1 3.81Å; M262-L361 HydrophobicContact CG-CD1 4.02Å; M262-L361 HydrophobicContact CG-CD2 4.49Å; M262-L361 HydrophobicContact CG-CG 4.43Å; M262-L361 WeakPolarHBondContact O-CD2 3.44Å; M262-L361 HydrophobicContact SD-CD1 4.15Å; V284-L361 HydrophobicContact CB-CD1 4.31Å; V284-L361 HydrophobicContact CG1-CD1 4.41Å; V284-L361 HydrophobicContact CG2-CD1 3.7Å; L361-T364 PolarHBondContact O-N 2.74Å; L361-A365 VanDerWaalsContact O-CB 3.26Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 3.39Å
362G97.1Very high87.5Confident8 Ų830.3 Ų30.38%0.08215%0.153CC..Hα-helixtrans-61-45174.700000113.4L242 T360 T364 A365 L366L242-G362 VanDerWaalsContact CD1-CA 3.48Å; T360-G362 PolarHBondContact O-N 3.28Å; G362-T364 VanDerWaalsContact C-N 3.35Å; G362-A365 PolarHBondContact O-N 3.13Å; G362-L366 PolarHBondContact O-N 3.34Å
363M97.3Very high89.5Confident2 Ų220.5 Ų20.51%0.0112%0.117CC..Hα-helixtrans-65.4-39.7175.9-65.7-46.2-54.800112.5T337 L342 P359 T360 A365 L366 S367 E414 F417 L418T337-M363 HydrophobicContact CG2-CB 3.97Å; L342-M363 HydrophobicContact CD1-CB 4.39Å; L342-M363 HydrophobicContact CD1-CG 4.37Å; L342-M363 HydrophobicContact CD2-CE 4.49Å; P359-M363 HydrophobicContact CB-CB 4.04Å; T360-M363 PolarHBondContact O-N 3.35Å; T360-M363 VanDerWaalsContact O-N 3.16Å; T360-M363 WeakPolarHBondContact OG1-CG 3.49Å; T360-M363 PolarHBondContact OG1-N 2.71Å; M363-A365 VanDerWaalsContact C-N 3.35Å; M363-L366 HydrophobicContact CE-CD2 3.86Å; M363-L366 PolarHBondContact O-N 2.75Å; M363-S367 PolarHBondContact O-N 3.47Å; M363-S367 VanDerWaalsContact O-N 3.09Å; M363-E414 HydrophobicContact CG-CB 4.03Å; M363-E414 HydrophobicContact CG-CG 3.72Å; M363-E414 WeakPolarHBondContact CG-OE2 3.47Å; M363-E414 HydrophobicContact SD-CB 4.12Å; M363-E414 HydrophobicContact SD-CG 4.43Å; M363-F417 HydrophobicContact CE-CD1 3.16Å; M363-F417 HydrophobicContact CE-CE1 3.22Å; M363-F417 HydrophobicContact CE-CG 4.34Å; M363-F417 HydrophobicContact CE-CZ 4.45Å; M363-L418 HydrophobicContact CE-CD2 3.92Å; M363-L418 HydrophobicContact CE-CG 4.21Å; M363-L418 HydrophobicContact SD-CD1 3.93Å; M363-L418 HydrophobicContact SD-CD2 3.78Å; M363-L418 HydrophobicContact SD-CG 3.79Å
364T97.8Very high91.3Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-66.6-39.7176.7-53.70000111M262 L329 V333 I334 T360 L361 G362 S367 L368M262-T364 HydrophobicContact CE-CG2 3.65Å; L329-T364 HydrophobicContact CD2-CG2 3.66Å; V333-T364 HydrophobicContact CG1-CG2 4.23Å; I334-T364 HydrophobicContact CD1-CG2 4.49Å; I334-T364 HydrophobicContact CG1-CG2 3.49Å; I334-T364 VanDerWaalsContact CG1-CG2 3.49Å; T360-T364 PolarHBondContact O-N 2.76Å; T360-T364 VanDerWaalsContact O-N 3.15Å; T360-T364 PolarHBondContact O-OG1 3.22Å; L361-T364 PolarHBondContact O-N 2.74Å; G362-T364 VanDerWaalsContact C-N 3.35Å; T364-S367 WeakPolarHBondContact O-CB 3.23Å; T364-S367 PolarHBondContact O-N 3.24Å; T364-L368 PolarHBondContact O-N 3.08Å
365A98.4Very high93Very high0 Ų015.6 Ų15.60%08%0.084CC..Hα-helixtrans-67.1-37.4176.800000112.7V217 I240 L242 M262 L361 G362 M363 S367 L368 A369V217-A365 HydrophobicContact CG1-CB 3.77Å; I240-A365 HydrophobicContact CG2-CB 4.25Å; L242-A365 HydrophobicContact CD1-CB 4.34Å; L242-A365 HydrophobicContact CD2-CB 3.4Å; L242-A365 HydrophobicContact CG-CB 4.48Å; M262-A365 HydrophobicContact SD-CB 3.75Å; L361-A365 VanDerWaalsContact O-CB 3.26Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 3.39Å; G362-A365 PolarHBondContact O-N 3.13Å; M363-A365 VanDerWaalsContact C-N 3.35Å; A365-S367 VanDerWaalsContact C-N 3.34Å; A365-L368 PolarHBondContact O-N 2.99Å; A365-A369 VanDerWaalsContact O-CB 3.3Å; A365-A369 WeakPolarHBondContact O-CB 3.34Å; A365-A369 PolarHBondContact O-N 3.37Å
366L98.3Very high94.5Very high6 Ų614.4 Ų14.43%0.0318%0.078CC..Hα-helixtrans-58.8-46.6169.716462.3000111.2G362 M363 A369 S370 V376 L378 F417 L418 L421 I427G362-L366 PolarHBondContact O-N 3.34Å; M363-L366 HydrophobicContact CE-CD2 3.86Å; M363-L366 PolarHBondContact O-N 2.75Å; L366-A369 PolarHBondContact O-N 2.96Å; L366-S370 PolarHBondContact O-N 2.62Å; L366-V376 HydrophobicContact CD1-CG1 3.81Å; L366-L378 HydrophobicContact CB-CD2 4.44Å; L366-L378 HydrophobicContact CD1-CD2 4.24Å; L366-L378 HydrophobicContact CD2-CD1 4.49Å; L366-F417 HydrophobicContact CD2-CE1 4.17Å; L366-L418 HydrophobicContact CD2-CD2 3.77Å; L366-L421 HydrophobicContact CD2-CD1 3.7Å; L366-I427 HydrophobicContact CD1-CD1 4.49Å; L366-I427 HydrophobicContact CD1-CG2 3.61Å; L366-I427 HydrophobicContact CD2-CD1 4.4Å
367S97.1Very high95.7Very high3 Ų310.9 Ų10.92%0.0216%0.062CC..Hα-helixtrans-62.2-44.8177.6-170.10000111.5T337 M363 T364 A365 S370 L371T337-S367 WeakPolarHBondContact OG1-CB 2.9Å; T337-S367 PolarHBondContact OG1-OG 3.08Å; T337-S367 VanDerWaalsContact OG1-OG 3.06Å; M363-S367 PolarHBondContact O-N 3.47Å; M363-S367 VanDerWaalsContact O-N 3.09Å; T364-S367 WeakPolarHBondContact O-CB 3.23Å; T364-S367 PolarHBondContact O-N 3.24Å; A365-S367 VanDerWaalsContact C-N 3.34Å; S367-S370 WeakPolarHBondContact O-CB 3.44Å; S367-S370 PolarHBondContact O-N 2.78Å; S367-S370 PolarHBondContact O-OG 3.29Å; S367-L371 PolarHBondContact O-N 3.29Å
368L97.9Very high96.4Very high0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-59.2-46.7173.2177.662.9000111.7P161 F162 M262 V282 L329 T364 A365 S370 L371 L372P161-L368 HydrophobicContact CB-CD1 3.48Å; P161-L368 VanDerWaalsContact CB-CD1 3.48Å; F162-L368 HydrophobicContact CE1-CD1 3.88Å; F162-L368 HydrophobicContact CE1-CD2 4.16Å; F162-L368 HydrophobicContact CZ-CD1 3.89Å; F162-L368 HydrophobicContact CZ-CD2 4.35Å; M262-L368 HydrophobicContact CE-CD2 4.34Å; M262-L368 HydrophobicContact SD-CD2 3.88Å; V282-L368 HydrophobicContact CG1-CD2 4.21Å; L329-L368 HydrophobicContact CD1-CD1 4.06Å; L329-L368 HydrophobicContact CD1-CD2 4.06Å; L329-L368 HydrophobicContact CD1-CG 4.45Å; T364-L368 PolarHBondContact O-N 3.08Å; A365-L368 PolarHBondContact O-N 2.99Å; L368-S370 PolarHBondContact O-N 3.49Å; L368-L371 WeakPolarHBondContact O-CB 3.04Å; L368-L371 PolarHBondContact O-N 3.22Å; L368-L372 HydrophobicContact CD1-CD1 3.94Å; L368-L372 HydrophobicContact CD1-CG 4.17Å; L368-L372 HydrophobicContact CD2-CD1 4.47Å; L368-L372 HydrophobicContact CG-CD1 3.89Å; L368-L372 HydrophobicContact CG-CG 4.44Å; L368-L372 WeakPolarHBondContact O-CG 3.29Å; L368-L372 PolarHBondContact O-N 2.02Å
369A98Very high96.8Very high0 Ų09.4 Ų9.40%05%0.053CC..Hα-helixtrans-58.3-39177.900000111.5V217 I240 A365 L366 L371 L372 C373 V376V217-A369 HydrophobicContact CG2-CB 3.77Å; I240-A369 HydrophobicContact CD1-CB 3.64Å; A365-A369 VanDerWaalsContact O-CB 3.3Å; A365-A369 WeakPolarHBondContact O-CB 3.34Å; A365-A369 PolarHBondContact O-N 3.37Å; L366-A369 PolarHBondContact O-N 2.96Å; A369-L371 PolarHBondContact O-N 3.23Å; A369-L372 PolarHBondContact O-N 3.2Å; A369-L372 VanDerWaalsContact O-N 3.16Å; A369-C373 VanDerWaalsContact O-CB 3.24Å; A369-C373 WeakPolarHBondContact O-CB 3.19Å; A369-C373 PolarHBondContact O-N 2.7Å; A369-C373 PolarHBondContact O-SG 3.09Å; A369-C373 VanDerWaalsContact O-SG 3.33Å; A369-V376 HydrophobicContact CB-CB 4.47Å; A369-V376 HydrophobicContact CB-CG1 3.77Å; A369-V376 HydrophobicContact CB-CG2 3.79Å
370S96.3Very high96.9Very high5 Ų59.6 Ų9.64%0.0356%0.055CC..Hα-helixtrans-63.6-25.1175.381.90000113.4R145 L366 S367 L368R145-S370 WeakPolarHBondContact CB-O 3.24Å; R145-S370 WeakPolarHBondContact CD-OG 3.39Å; R145-S370 PolarHBondContact NH1-OG 2.95Å; L366-S370 PolarHBondContact O-N 2.62Å; S367-S370 WeakPolarHBondContact O-CB 3.44Å; S367-S370 PolarHBondContact O-N 2.78Å; S367-S370 PolarHBondContact O-OG 3.29Å; L368-S370 PolarHBondContact O-N 3.49Å
371L95.1Very high97Very high39 Ų399.6 Ų9.620%0.2045%0.053CC..Hα-helixtrans-83.2-25.3176.6-65.9170.9000112.6R145 V159 P161 V333 S367 L368 A369R145-L371 VanDerWaalsContact CZ-CD2 3.42Å; V159-L371 HydrophobicContact CB-CD1 4.5Å; V159-L371 HydrophobicContact CG1-CD1 4.28Å; P161-L371 HydrophobicContact CB-CB 4.47Å; P161-L371 HydrophobicContact CB-CD1 4.26Å; V333-L371 HydrophobicContact CG2-CD1 3.85Å; S367-L371 PolarHBondContact O-N 3.29Å; L368-L371 WeakPolarHBondContact O-CB 3.04Å; L368-L371 PolarHBondContact O-N 3.22Å; A369-L371 PolarHBondContact O-N 3.23Å
372L93.8Very high96.7Very high46 Ų469.8 Ų9.824%0.2416%0.057CC..Hα-helixtrans-99.4-15.5-173.3-61.5179000113.5P161 F162 I260 L368 A369P161-L372 HydrophobicContact CB-CD2 4.14Å; P161-L372 HydrophobicContact CG-CD2 4.01Å; F162-L372 HydrophobicContact CE2-CD2 4.11Å; F162-L372 HydrophobicContact CZ-CD1 4.19Å; F162-L372 HydrophobicContact CZ-CD2 4.49Å; I260-L372 HydrophobicContact CD1-CD1 3.83Å; L368-L372 HydrophobicContact CD1-CD1 3.94Å; L368-L372 HydrophobicContact CD1-CG 4.17Å; L368-L372 HydrophobicContact CD2-CD1 4.47Å; L368-L372 HydrophobicContact CG-CD1 3.89Å; L368-L372 HydrophobicContact CG-CG 4.44Å; L368-L372 WeakPolarHBondContact O-CG 3.29Å; L368-L372 PolarHBondContact O-N 2.02Å; A369-L372 PolarHBondContact O-N 3.2Å; A369-L372 VanDerWaalsContact O-N 3.16Å
373C95Very high96.1Very high8 Ų812.9 Ų12.95%0.0547%0.067CC..  trans-141.4156-162.2-45.70000112.5C215 A369 V376C215-C373 HydrophobicContact CB-CB 3.6Å; C215-C373 WeakPolarHBondContact CB-SG 3.39Å; C215-C373 WeakPolarHBondContact SG-CB 3.48Å; C215-C373 CovalentContact SG-SG 1.98Å; C215-C373 PolarHBondContact SG-SG 3.05Å; A369-C373 VanDerWaalsContact O-CB 3.24Å; A369-C373 WeakPolarHBondContact O-CB 3.19Å; A369-C373 PolarHBondContact O-N 2.7Å; A369-C373 PolarHBondContact O-SG 3.09Å; A369-C373 VanDerWaalsContact O-SG 3.33Å; C373-V376 HydrophobicContact CB-CG2 4.37Å
374D95.6Very high95.4Very high30 Ų3016.4 Ų16.416%0.169%0.086CC..SBendtrans-81.7-45.8-179.7-63.1-54.8000111.8P141 R142 R143 S144 C212 R213P141-D374 WeakPolarHBondContact CA-OD1 3.44Å; R142-D374 PolarHBondContact N-OD1 2.95Å; R143-D374 PolarHBondContact N-O 3.27Å; R143-D374 VanDerWaalsContact N-O 3.1Å; S144-D374 PolarHBondContact N-O 2.98Å; C212-D374 WeakPolarHBondContact CA-OD2 2.99Å; C212-D374 WeakPolarHBondContact SG-CB 3.43Å; R213-D374 PolarHBondContact N-OD2 3.12Å; R213-D374 PolarHBondContact O-N 3.22Å
375E96.9Very high94.7Very high20 Ų2018.4 Ų18.49%0.09310%0.097CC..EExtended strand (participates in β ladder)trans-126131.1175.9-67.3-167.615700110.9H140 R143 R213 R214 C215H140-E375 PolarHBondContact N-OE1 3.08Å; H140-E375 IonicContact ND1-OE1 2.9Å; R143-E375 HydrophobicContact CB-CG 4.26Å; R143-E375 WeakPolarHBondContact CD-OE1 3.35Å; R143-E375 IonicContact CZ-OE1 3.02Å; R143-E375 IonicContact NE-OE1 3.65Å; R143-E375 IonicContact NH1-OE1 2.76Å; R143-E375 PolarHBondContact NH1-OE1 3.23Å; R213-E375 PolarHBondContact O-N 2.94Å; R214-E375 HydrophobicContact CG-CB 4.45Å; R214-E375 IonicContact NE-OE2 3.6Å; R214-E375 PolarHBondContact NE-OE2 3.06Å; R214-E375 IonicContact NH2-OE2 4Å; C215-E375 PolarHBondContact N-O 3Å
376V98.4Very high94Very high1 Ų123.8 Ų23.81%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-112.3130.4-178.9-1780000110.5S144 V217 L366 A369 C373 L378 I427 S428S144-V376 PolarHBondContact OG-N 3.43Å; V217-V376 HydrophobicContact CG2-CG1 4.37Å; L366-V376 HydrophobicContact CD1-CG1 3.81Å; A369-V376 HydrophobicContact CB-CB 4.47Å; A369-V376 HydrophobicContact CB-CG1 3.77Å; A369-V376 HydrophobicContact CB-CG2 3.79Å; C373-V376 HydrophobicContact CB-CG2 4.37Å; V376-L378 HydrophobicContact CG1-CD2 4.44Å; V376-I427 HydrophobicContact CB-CG2 4.17Å; V376-I427 HydrophobicContact CG1-CG2 4.36Å; V376-I427 VanDerWaalsContact O-CA 3.28Å; V376-I427 WeakPolarHBondContact O-CA 3.41Å; V376-I427 WeakPolarHBondContact O-CB 3.36Å; V376-S428 PolarHBondContact O-N 2.94Å; V376-S428 VanDerWaalsContact O-N 3.13Å
377S98.5Very high93.3Very high3 Ų327.7 Ų27.72%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-116151.6171.4-58.30000110.6C215 V216 V217 S428C215-S377 PolarHBondContact O-N 3.01Å; V216-S377 CarbonylContact C-O 3.56Å; V216-S377 VanDerWaalsContact CA-O 3.29Å; V216-S377 WeakPolarHBondContact CA-O 3.37Å; V217-S377 PolarHBondContact N-O 3.03Å; S377-S428 CarbonylContact C-O 3.14Å; S377-S428 VanDerWaalsContact CA-O 3.29Å; S377-S428 WeakPolarHBondContact CA-O 3.07Å
378L98.6Very high92.6Very high0 Ų032.4 Ų32.40%017%0.174CC..EExtended strand (participates in β ladder)trans-118140175-59.6-172.6000109.9V217 L366 V376 F381 L418 I427 S428 L430 I434V217-L378 HydrophobicContact CB-CD2 3.64Å; V217-L378 HydrophobicContact CG2-CD2 3.96Å; V217-L378 WeakPolarHBondContact O-CA 3.25Å; L366-L378 HydrophobicContact CB-CD2 4.44Å; L366-L378 HydrophobicContact CD1-CD2 4.24Å; L366-L378 HydrophobicContact CD2-CD1 4.49Å; V376-L378 HydrophobicContact CG1-CD2 4.44Å; L378-F381 HydrophobicContact CB-CB 4.36Å; L378-F381 HydrophobicContact CB-CD2 3.74Å; L378-F381 HydrophobicContact CB-CE2 4.21Å; L378-F381 HydrophobicContact CB-CG 4.09Å; L378-F381 HydrophobicContact CD1-CB 4.44Å; L378-F381 HydrophobicContact CD1-CD1 3.98Å; L378-F381 HydrophobicContact CD1-CD2 4.29Å; L378-F381 HydrophobicContact CD1-CE1 4.25Å; L378-F381 HydrophobicContact CD1-CG 3.99Å; L378-F381 HydrophobicContact CD2-CD2 4.27Å; L378-F381 HydrophobicContact CD2-CE1 4.48Å; L378-F381 HydrophobicContact CD2-CE2 3.91Å; L378-F381 HydrophobicContact CD2-CZ 4.02Å; L378-F381 HydrophobicContact CG-CD2 4.32Å; L378-F381 HydrophobicContact CG-CE2 4.45Å; L378-L418 HydrophobicContact CD1-CD2 3.62Å; L378-I427 HydrophobicContact CD1-CD1 3.54Å; L378-I427 HydrophobicContact CG-CD1 4.03Å; L378-S428 PolarHBondContact N-O 3.15Å; L378-L430 WeakPolarHBondContact O-CB 3.4Å; L378-L430 WeakPolarHBondContact O-CG 3.42Å; L378-L430 PolarHBondContact O-N 3.49Å; L378-I434 HydrophobicContact CB-CD1 4.32Å; L378-I434 HydrophobicContact CD1-CD1 3.74Å
379A98.3Very high92Very high0 Ų034.2 Ų34.20%019%0.193CC..EExtended strand (participates in β ladder)trans-134137.6172.400000109.5V216 V217 V218 G219 L224 F381 L430 T431V216-A379 HydrophobicContact CG2-CB 4.13Å; V217-A379 PolarHBondContact O-N 2.94Å; V218-A379 CarbonylContact C-O 3.37Å; V218-A379 WeakPolarHBondContact CA-O 3.43Å; G219-A379 PolarHBondContact N-O 2.74Å; L224-A379 HydrophobicContact CD2-CB 4.13Å; A379-F381 VanDerWaalsContact C-N 3.34Å; A379-F381 WeakPolarHBondContact O-CD2 3.3Å; A379-L430 HydrophobicContact CB-CB 4.18Å; A379-L430 HydrophobicContact CB-CD1 4.23Å; A379-T431 HydrophobicContact CB-CG2 4.15Å
380G96.5Very high91.5Very high3 Ų334.5 Ų34.53%0.03120%0.195CC..SBendtrans74.726.1-179.100000114G221 T431G221-G380 WeakPolarHBondContact CA-O 3.42Å; G221-G380 PolarHBondContact N-O 3.45Å; G380-T431 PolarHBondContact N-OG1 3.31Å
381F95.8Very high91.2Very high18 Ų1835 Ų358%0.07920%0.198CC..  trans-106.7159.6174.3-80.1-106.9000110.7V217 L242 L378 A379 L418 G433 I434V217-F381 HydrophobicContact CB-CE2 4.12Å; V217-F381 HydrophobicContact CB-CZ 4.27Å; V217-F381 HydrophobicContact CG1-CE2 3.87Å; V217-F381 HydrophobicContact CG1-CZ 3.73Å; V217-F381 WeakPolarHBondContact O-CE2 3.38Å; L242-F381 HydrophobicContact CD1-CZ 4.24Å; L378-F381 HydrophobicContact CB-CB 4.36Å; L378-F381 HydrophobicContact CB-CD2 3.74Å; L378-F381 HydrophobicContact CB-CE2 4.21Å; L378-F381 HydrophobicContact CB-CG 4.09Å; L378-F381 HydrophobicContact CD1-CB 4.44Å; L378-F381 HydrophobicContact CD1-CD1 3.98Å; L378-F381 HydrophobicContact CD1-CD2 4.29Å; L378-F381 HydrophobicContact CD1-CE1 4.25Å; L378-F381 HydrophobicContact CD1-CG 3.99Å; L378-F381 HydrophobicContact CD2-CD2 4.27Å; L378-F381 HydrophobicContact CD2-CE1 4.48Å; L378-F381 HydrophobicContact CD2-CE2 3.91Å; L378-F381 HydrophobicContact CD2-CZ 4.02Å; L378-F381 HydrophobicContact CG-CD2 4.32Å; L378-F381 HydrophobicContact CG-CE2 4.45Å; A379-F381 VanDerWaalsContact C-N 3.34Å; A379-F381 WeakPolarHBondContact O-CD2 3.3Å; F381-L418 HydrophobicContact CD1-CD1 4.04Å; F381-G433 CarbonylContact O-C 3.52Å; F381-G433 WeakPolarHBondContact O-CA 3.28Å; F381-I434 HydrophobicContact CB-CD1 3.72Å; F381-I434 HydrophobicContact CB-CG1 3.89Å
382G89.8Confident91Very high13 Ų1333.2 Ų33.213%0.13419%0.189CC..  trans94.9145.3-178.100000112.2G433G382-G433 WeakPolarHBondContact CA-O 3.5Å
383Y84.9Confident91Very high73 Ų7332.7 Ų32.729%0.28619%0.185SC..  trans-126114.5-179.8-58.7-71.1000108.6L385 L392 M400 M403 V411Y383-L385 VanDerWaalsContact C-N 3.27Å; Y383-L385 PolarHBondContact O-N 3.25Å; Y383-L392 HydrophobicContact CD1-CD1 3.99Å; Y383-L392 HydrophobicContact CE1-CD1 3.77Å; Y383-M400 HydrophobicContact CD1-CE 4.35Å; Y383-M400 HydrophobicContact CD1-SD 3.68Å; Y383-M400 HydrophobicContact CG-SD 4.26Å; Y383-M403 HydrophobicContact CD1-CG 3.94Å; Y383-M403 HydrophobicContact CD1-SD 4.38Å; Y383-M403 HydrophobicContact CD2-CG 4.34Å; Y383-M403 HydrophobicContact CE1-CG 3.96Å; Y383-M403 HydrophobicContact CE1-SD 3.79Å; Y383-M403 HydrophobicContact CE2-CE 4.08Å; Y383-M403 HydrophobicContact CE2-CG 4.36Å; Y383-M403 HydrophobicContact CE2-SD 4.36Å; Y383-M403 HydrophobicContact CG-CG 4.12Å; Y383-V411 HydrophobicContact CD2-CG1 3.29Å; Y383-V411 HydrophobicContact CE2-CG1 3.54Å; Y383-V411 HydrophobicContact CG-CG1 4.27Å
384N83Confident91Very high77 Ų7732.4 Ų32.441%0.41218%0.183SC..  trans-81.681169.6-170.2-12.5000109.1S386 Q387N384-S386 PolarHBondContact O-N 2.82Å; N384-S386 VanDerWaalsContact O-N 3.12Å; N384-S386 WeakPolarHBondContact OD1-CB 3Å; N384-S386 PolarHBondContact OD1-N 3.3Å; N384-Q387 HydrophobicContact CB-CB 4.48Å; N384-Q387 VanDerWaalsContact ND2-CD 3.34Å; N384-Q387 PolarHBondContact O-N 3.26Å
385L82.2Confident90.8Very high42 Ų4233.9 Ų33.922%0.2219%0.186CC..THydrogen-bonded Turntrans-62.7-17.9-177-62.9-176.1000113.2Y383 Q387 M400 M403 Q404Y383-L385 VanDerWaalsContact C-N 3.27Å; Y383-L385 PolarHBondContact O-N 3.25Å; L385-Q387 VanDerWaalsContact C-N 3.31Å; L385-M400 HydrophobicContact CD2-CG 4.3Å; L385-M400 HydrophobicContact CD2-SD 4.43Å; L385-M403 HydrophobicContact CD2-CB 4.3Å; L385-Q404 HydrophobicContact CD2-CG 3.99Å; L385-Q404 PolarHBondContact O-NE2 2.93Å
386S83.1Confident90.4Very high113 Ų11334.7 Ų34.779%0.7919%0.191SC*.THydrogen-bonded Turntrans-70.7-27.6172.8-52.80000112.3N384 Q388N384-S386 PolarHBondContact O-N 2.82Å; N384-S386 VanDerWaalsContact O-N 3.12Å; N384-S386 WeakPolarHBondContact OD1-CB 3Å; N384-S386 PolarHBondContact OD1-N 3.3Å; S386-Q388 PolarHBondContact O-N 3.15Å
387Q83.7Confident89.9Confident88 Ų8841.6 Ų41.641%0.41123%0.228SC..  trans-96.670.3177.2-67.1-175.7-11.100110.8N384 L385 G389 A390 M400N384-Q387 HydrophobicContact CB-CB 4.48Å; N384-Q387 VanDerWaalsContact ND2-CD 3.34Å; N384-Q387 PolarHBondContact O-N 3.26Å; L385-Q387 VanDerWaalsContact C-N 3.31Å; Q387-G389 PolarHBondContact O-N 2.89Å; Q387-G389 VanDerWaalsContact O-N 3.09Å; Q387-A390 HydrophobicContact CB-CB 3.87Å; Q387-A390 VanDerWaalsContact O-CB 3.26Å; Q387-A390 WeakPolarHBondContact O-CB 2.99Å; Q387-A390 PolarHBondContact O-N 3.37Å; Q387-M400 WeakPolarHBondContact O-CB 3.22Å
388Q83.9Confident89.4Confident102 Ų10243.4 Ų43.448%0.47724%0.238SC..THydrogen-bonded Turntrans-55.6-29.8-174.3-72.9-173-2.100115.4S386 M400 R401S386-Q388 PolarHBondContact O-N 3.15Å; Q388-M400 PolarHBondContact O-N 2.95Å; Q388-M400 VanDerWaalsContact O-N 3.15Å; Q388-R401 HydrophobicContact CB-CB 4.12Å; Q388-R401 HydrophobicContact CG-CB 4.41Å; Q388-R401 PolarHBondContact O-N 2.75Å
389G84.5Confident89Confident38 Ų3844.8 Ų44.839%0.39225%0.247SC..THydrogen-bonded Turntrans-86.4-9.9177.700000114.7F115 Q387F115-G389 WeakPolarHBondContact CB-O 3.39Å; F115-G389 WeakPolarHBondContact CG-O 3.38Å; Q387-G389 PolarHBondContact O-N 2.89Å; Q387-G389 VanDerWaalsContact O-N 3.09Å
390A86.9Confident88.5Confident5 Ų545.3 Ų45.34%0.04125%0.249CC..SBendtrans-61.5148.7178.400000111.1F115 Q387 L392 M400F115-A390 HydrophobicContact CD1-CB 4.42Å; F115-A390 HydrophobicContact CE1-CB 3.9Å; F115-A390 HydrophobicContact CZ-CB 4.25Å; Q387-A390 HydrophobicContact CB-CB 3.87Å; Q387-A390 VanDerWaalsContact O-CB 3.26Å; Q387-A390 WeakPolarHBondContact O-CB 2.99Å; Q387-A390 PolarHBondContact O-N 3.37Å; A390-L392 PolarHBondContact O-N 3.1Å; A390-M400 WeakPolarHBondContact O-CB 3.27Å; A390-M400 PolarHBondContact O-N 3.12Å
391P89.8Confident87.9Confident15 Ų1549.9 Ų49.910%0.09727%0.265CS..BIsolated β-bridgetrans-61.2126.717725.2-33.7000110.2F117 G222F117-P391 HydrophobicContact CB-CG 4.3Å; F117-P391 HydrophobicContact CD1-CG 4.45Å; F117-P391 HydrophobicContact CG-CG 4.22Å; G222-P391 WeakPolarHBondContact CA-O 3.21Å
392L91Very high87.4Confident3 Ų350.4 Ų50.42%0.01627%0.269CS..SBendtrans-67.6-43172.9179.559.6000110G221 G222 Y383 A390 L398 M400 L402 M403G221-L392 CarbonylContact C-O 3.58Å; G221-L392 WeakPolarHBondContact CA-O 3.19Å; G222-L392 PolarHBondContact N-O 3.08Å; Y383-L392 HydrophobicContact CD1-CD1 3.99Å; Y383-L392 HydrophobicContact CE1-CD1 3.77Å; A390-L392 PolarHBondContact O-N 3.1Å; L392-L398 HydrophobicContact CB-CB 4.28Å; L392-L398 VanDerWaalsContact CB-O 3.25Å; L392-L398 WeakPolarHBondContact CB-O 3.41Å; L392-L398 PolarHBondContact N-O 3Å; L392-M400 HydrophobicContact CD1-CE 4.4Å; L392-M400 HydrophobicContact CD1-SD 3.81Å; L392-L402 HydrophobicContact CD2-CB 4.48Å; L392-M403 HydrophobicContact CD1-CB 3.92Å; L392-M403 HydrophobicContact CD1-CG 4.27Å; L392-M403 HydrophobicContact CD1-SD 4.04Å
393H94.1Very high87Confident35 Ų3550.6 Ų50.616%0.16227%0.266CS..BIsolated β-bridgetrans-118.1157.2177.7-50.3128.6000113.5N220 G222 Y395 D396N220-H393 CarbonylContact O-C 3.12Å; N220-H393 WeakPolarHBondContact O-CA 3.48Å; N220-H393 WeakPolarHBondContact O-CB 3.45Å; G222-H393 VanDerWaalsContact CA-C 3.46Å; H393-Y395 HydrophobicContact CB-CD1 3.96Å; H393-Y395 HydrophobicContact CB-CD2 4.41Å; H393-Y395 HydrophobicContact CB-CE1 3.71Å; H393-Y395 HydrophobicContact CB-CE2 4.11Å; H393-Y395 HydrophobicContact CB-CG 4.34Å; H393-Y395 AromaticContact CG-CZ 3.78Å; H393-Y395 AromaticContact ND1-CZ 3.85Å; H393-Y395 PolarHBondContact O-N 3.18Å; H393-D396 IonicContact CE1-OD2 3.65Å; H393-D396 IonicContact CG-OD1 2.76Å; H393-D396 IonicContact CG-OD2 2.64Å; H393-D396 IonicContact ND1-OD1 2.93Å; H393-D396 PolarHBondContact ND1-OD1 3.25Å; H393-D396 IonicContact ND1-OD2 3.67Å; H393-D396 PolarHBondContact ND1-OD2 3.43Å
394Y94.5Very high86.5Confident2 Ų251.7 Ų51.71%0.00827%0.274CS..SBendtrans-74.3-13.5178.564.1-103000114.1N220 L224 G245 P246 H250 V254N220-Y394 HydrophobicContact CB-CE1 4.41Å; N220-Y394 VanDerWaalsContact O-CD1 3.32Å; N220-Y394 WeakPolarHBondContact O-CD1 3Å; N220-Y394 PolarHBondContact O-N 3.01Å; N220-Y394 VanDerWaalsContact O-N 3.15Å; L224-Y394 HydrophobicContact CB-CD1 4.29Å; L224-Y394 HydrophobicContact CB-CG 4.4Å; L224-Y394 HydrophobicContact CD1-CD1 3.69Å; L224-Y394 HydrophobicContact CD1-CE1 4.01Å; G245-Y394 WeakPolarHBondContact CA-OH 3.42Å; P246-Y394 HydrophobicContact CG-CE2 4.29Å; P246-Y394 WeakPolarHBondContact O-CE2 3.32Å; P246-Y394 PolarHBondContact O-OH 3.44Å; H250-Y394 HydrophobicContact CB-CD2 4.09Å; H250-Y394 HydrophobicContact CB-CE2 3.97Å; H250-Y394 AromaticContact CG-CD2 3.94Å; V254-Y394 HydrophobicContact CG1-CD1 4.19Å; V254-Y394 HydrophobicContact CG1-CD2 4.02Å; V254-Y394 HydrophobicContact CG1-CE1 4.05Å; V254-Y394 HydrophobicContact CG1-CE2 3.9Å; V254-Y394 HydrophobicContact CG1-CG 4.18Å; V254-Y394 HydrophobicContact CG2-CE2 4.28Å
395Y92.4Very high86Confident60 Ų6053.9 Ų53.924%0.23528%0.282CS..SBendtrans-114.6-14.6-17056.2-99.8000115.2N220 P246 H393N220-Y395 HydrophobicContact CB-CE1 3.96Å; P246-Y395 HydrophobicContact CG-CD1 3.95Å; P246-Y395 HydrophobicContact CG-CD2 4.24Å; P246-Y395 HydrophobicContact CG-CG 3.6Å; H393-Y395 HydrophobicContact CB-CD1 3.96Å; H393-Y395 HydrophobicContact CB-CD2 4.41Å; H393-Y395 HydrophobicContact CB-CE1 3.71Å; H393-Y395 HydrophobicContact CB-CE2 4.11Å; H393-Y395 HydrophobicContact CB-CG 4.34Å; H393-Y395 AromaticContact CG-CZ 3.78Å; H393-Y395 AromaticContact ND1-CZ 3.85Å; H393-Y395 PolarHBondContact O-N 3.18Å
396D88.7Confident85.4Confident37 Ų3753.8 Ų53.820%0.19828%0.28CS..SBendtrans-124.6-17817866.735.5000110.8H393 L398H393-D396 IonicContact CE1-OD2 3.65Å; H393-D396 IonicContact CG-OD1 2.76Å; H393-D396 IonicContact CG-OD2 2.64Å; H393-D396 IonicContact ND1-OD1 2.93Å; H393-D396 PolarHBondContact ND1-OD1 3.25Å; H393-D396 IonicContact ND1-OD2 3.67Å; H393-D396 PolarHBondContact ND1-OD2 3.43Å; D396-L398 HydrophobicContact CB-CG 4.48Å; D396-L398 VanDerWaalsContact OD1-CB 3.28Å; D396-L398 WeakPolarHBondContact OD1-CB 3.3Å; D396-L398 WeakPolarHBondContact OD1-CG 3.33Å; D396-L398 PolarHBondContact OD1-N 3.29Å; D396-L398 WeakPolarHBondContact OD2-CD1 3.25Å
397N87.3Confident84.7Confident147 Ų14755.4 Ų55.479%0.78627%0.273SS*.  trans-109.623.5178.3-61.6-39.1000111.6
398L88.4Confident83.8Confident41 Ų4153.5 Ų53.522%0.21527%0.265CS..  trans-68129.8177.9-68.1-176.3000109.5L392 D396 L402L392-L398 HydrophobicContact CB-CB 4.28Å; L392-L398 VanDerWaalsContact CB-O 3.25Å; L392-L398 WeakPolarHBondContact CB-O 3.41Å; L392-L398 PolarHBondContact N-O 3Å; D396-L398 HydrophobicContact CB-CG 4.48Å; D396-L398 VanDerWaalsContact OD1-CB 3.28Å; D396-L398 WeakPolarHBondContact OD1-CB 3.3Å; D396-L398 WeakPolarHBondContact OD1-CG 3.33Å; D396-L398 PolarHBondContact OD1-N 3.29Å; D396-L398 WeakPolarHBondContact OD2-CD1 3.25Å; L398-L402 HydrophobicContact CB-CD1 4.1Å; L398-L402 HydrophobicContact CD2-CD1 3.86Å; L398-L402 HydrophobicContact CG-CD1 4.39Å
399P89.8Confident83.5Confident29 Ų2950.2 Ų50.219%0.18825%0.249CC..BIsolated β-bridgetrans-81.7148.8-176.731.1-34.7000112.1R401 L402P399-R401 HydrophobicContact CB-CG 4.03Å; P399-R401 HydrophobicContact CG-CG 3.83Å; P399-R401 PolarHBondContact O-N 3.36Å; P399-R401 VanDerWaalsContact O-N 3.08Å; P399-L402 HydrophobicContact CG-CD1 4.45Å; P399-L402 HydrophobicContact CG-CG 4.19Å; P399-L402 WeakPolarHBondContact O-CB 3.46Å; P399-L402 PolarHBondContact O-N 3.24Å
400M87.9Confident83.4Confident11 Ų1150.6 Ų50.65%0.05424%0.242CC..G310 helixtrans-53.9-29.5179.8-169.163.265.200113.5Y383 L385 Q387 Q388 A390 L392 L402 M403Y383-M400 HydrophobicContact CD1-CE 4.35Å; Y383-M400 HydrophobicContact CD1-SD 3.68Å; Y383-M400 HydrophobicContact CG-SD 4.26Å; L385-M400 HydrophobicContact CD2-CG 4.3Å; L385-M400 HydrophobicContact CD2-SD 4.43Å; Q387-M400 WeakPolarHBondContact O-CB 3.22Å; Q388-M400 PolarHBondContact O-N 2.95Å; Q388-M400 VanDerWaalsContact O-N 3.15Å; A390-M400 WeakPolarHBondContact O-CB 3.27Å; A390-M400 PolarHBondContact O-N 3.12Å; L392-M400 HydrophobicContact CD1-CE 4.4Å; L392-M400 HydrophobicContact CD1-SD 3.81Å; M400-L402 PolarHBondContact O-N 2.92Å; M400-L402 VanDerWaalsContact O-N 3.1Å; M400-M403 VanDerWaalsContact O-CB 3.26Å; M400-M403 WeakPolarHBondContact O-CB 3.26Å; M400-M403 PolarHBondContact O-N 2.95Å; M400-M403 HydrophobicContact SD-CB 4.39Å
401R84.6Confident83.2Confident99 Ų9951 Ų5137%0.37424%0.244SC..G310 helixtrans-54.1-28174.767.9-174.7-178.8-172.3-2.5113.9E112 Q388 P399 M403 Q404E112-R401 IonicContact OE1-CZ 2.7Å; E112-R401 IonicContact OE1-NH1 3.29Å; E112-R401 PolarHBondContact OE1-NH1 2.98Å; E112-R401 IonicContact OE1-NH2 3.8Å; Q388-R401 HydrophobicContact CB-CB 4.12Å; Q388-R401 HydrophobicContact CG-CB 4.41Å; Q388-R401 PolarHBondContact O-N 2.75Å; P399-R401 HydrophobicContact CB-CG 4.03Å; P399-R401 HydrophobicContact CG-CG 3.83Å; P399-R401 PolarHBondContact O-N 3.36Å; P399-R401 VanDerWaalsContact O-N 3.08Å; R401-M403 PolarHBondContact O-N 3.09Å; R401-Q404 PolarHBondContact O-N 3.05Å
402L85.1Confident83.1Confident29 Ų2954.8 Ų54.815%0.15226%0.264CS..G310 helixtrans-65.9-27.5175.9-63.4-177000112.2L392 L398 P399 M400 Q404 Q405L392-L402 HydrophobicContact CD2-CB 4.48Å; L398-L402 HydrophobicContact CB-CD1 4.1Å; L398-L402 HydrophobicContact CD2-CD1 3.86Å; L398-L402 HydrophobicContact CG-CD1 4.39Å; P399-L402 HydrophobicContact CG-CD1 4.45Å; P399-L402 HydrophobicContact CG-CG 4.19Å; P399-L402 WeakPolarHBondContact O-CB 3.46Å; P399-L402 PolarHBondContact O-N 3.24Å; M400-L402 PolarHBondContact O-N 2.92Å; M400-L402 VanDerWaalsContact O-N 3.1Å; L402-Q404 VanDerWaalsContact C-N 3.3Å; L402-Q404 PolarHBondContact O-N 3.37Å; L402-Q405 PolarHBondContact O-N 3.37Å
403M81.8Confident83.1Confident16 Ų1657.8 Ų57.88%0.07928%0.277CS..G310 helixtrans-66.7-33176.4-160.366.7-14900112.2Y383 L385 L392 M400 R401 Q405 E406 V411Y383-M403 HydrophobicContact CD1-CG 3.94Å; Y383-M403 HydrophobicContact CD1-SD 4.38Å; Y383-M403 HydrophobicContact CD2-CG 4.34Å; Y383-M403 HydrophobicContact CE1-CG 3.96Å; Y383-M403 HydrophobicContact CE1-SD 3.79Å; Y383-M403 HydrophobicContact CE2-CE 4.08Å; Y383-M403 HydrophobicContact CE2-CG 4.36Å; Y383-M403 HydrophobicContact CE2-SD 4.36Å; Y383-M403 HydrophobicContact CG-CG 4.12Å; L385-M403 HydrophobicContact CD2-CB 4.3Å; L392-M403 HydrophobicContact CD1-CB 3.92Å; L392-M403 HydrophobicContact CD1-CG 4.27Å; L392-M403 HydrophobicContact CD1-SD 4.04Å; M400-M403 VanDerWaalsContact O-CB 3.26Å; M400-M403 WeakPolarHBondContact O-CB 3.26Å; M400-M403 PolarHBondContact O-N 2.95Å; M400-M403 HydrophobicContact SD-CB 4.39Å; R401-M403 PolarHBondContact O-N 3.09Å; M403-Q405 PolarHBondContact O-N 2.98Å; M403-E406 HydrophobicContact CE-CB 4.31Å; M403-E406 HydrophobicContact CE-CG 3.96Å; M403-E406 WeakPolarHBondContact O-CB 3.39Å; M403-E406 PolarHBondContact O-N 2.95Å; M403-E406 HydrophobicContact SD-CG 4.13Å; M403-V411 HydrophobicContact CE-CB 4.36Å; M403-V411 HydrophobicContact CE-CG1 4.17Å; M403-V411 HydrophobicContact CE-CG2 3.24Å; M403-V411 HydrophobicContact CG-CG1 4.38Å; M403-V411 HydrophobicContact CG-CG2 4.46Å
404Q73.4Confident83.1Confident97 Ų9756.4 Ų56.445%0.45327%0.27SS..G310 helixtrans-69.5-18.1176.7-62.3179.8-2.800112.6L385 R401 L402L385-Q404 HydrophobicContact CD2-CG 3.99Å; L385-Q404 PolarHBondContact O-NE2 2.93Å; R401-Q404 PolarHBondContact O-N 3.05Å; L402-Q404 VanDerWaalsContact C-N 3.3Å; L402-Q404 PolarHBondContact O-N 3.37Å
405Q73.2Confident83Confident122 Ų12257.7 Ų57.757%0.5728%0.278SS*.G310 helixtrans-90-5179.1-61.1178.3-16.600112.4L402 M403 K407L402-Q405 PolarHBondContact O-N 3.37Å; M403-Q405 PolarHBondContact O-N 2.98Å; Q405-K407 PolarHBondContact O-N 3.02Å
406E69.7Low83.1Confident40 Ų4061.2 Ų61.219%0.18730%0.297CS..  trans-68.7117.2178.4-72.8-59.2147.600111.4R24 M403R24-E406 IonicContact CZ-OE1 3.49Å; R24-E406 IonicContact NE-OE1 3.77Å; R24-E406 IonicContact NH2-OE1 2.78Å; R24-E406 PolarHBondContact NH2-OE1 3.05Å; M403-E406 HydrophobicContact CE-CB 4.31Å; M403-E406 HydrophobicContact CE-CG 3.96Å; M403-E406 WeakPolarHBondContact O-CB 3.39Å; M403-E406 PolarHBondContact O-N 2.95Å; M403-E406 HydrophobicContact SD-CG 4.13Å
407K68.1Low83.4Confident147 Ų14760.2 Ų60.264%0.63929%0.291SS*.  trans-97.4-11.1-174.9-64.7-176.3-176.71750114Q356 Q405Q356-K407 WeakPolarHBondContact CG-O 3.25Å; Q405-K407 PolarHBondContact O-N 3.02Å
408M64.5Low83.9Confident49 Ų4953.6 Ų53.624%0.24126%0.256CS..SBendtrans-91.3-28.5-174.4-67.7-133.9-65.800114Y20 Q356Y20-M408 HydrophobicContact CD1-CE 4.26Å; Y20-M408 HydrophobicContact CE1-CE 3.59Å; Y20-M408 HydrophobicContact CE1-SD 4.25Å; Y20-M408 HydrophobicContact CE2-CE 4.48Å; Y20-M408 HydrophobicContact CE2-SD 4.09Å; Q356-M408 WeakPolarHBondContact CA-O 3.41Å
409H77.5Confident84.3Confident32 Ų3254.6 Ų54.615%0.14826%0.259CS..SBendtrans-115.2144.1-175.2-57.5-59.5000110.2V358 P359 T360 V411V358-H409 PolarHBondContact O-ND1 3.34Å; P359-H409 PolarHBondContact O-CE1 2.96Å; T360-H409 HydrophobicContact CG2-CB 3.81Å; T360-H409 PolarHBondContact N-ND1 3.31Å; H409-V411 HydrophobicContact CB-CG2 4.31Å; H409-V411 PolarHBondContact O-N 3.36Å
410N82.7Confident84.6Confident46 Ų4658.8 Ų58.825%0.24627%0.271CS..  trans-93.280.1171-170-39.5000109.3Y344 Q356 D412 K413 E414Y344-N410 HydrophobicContact CE1-CB 3.75Å; Y344-N410 PolarHBondContact OH-O 3.2Å; Q356-N410 HydrophobicContact CB-CB 4.15Å; N410-D412 PolarHBondContact O-N 3Å; N410-K413 HydrophobicContact CB-CB 4.16Å; N410-K413 PolarHBondContact O-N 2.88Å; N410-K413 VanDerWaalsContact O-N 3.12Å; N410-K413 VanDerWaalsContact OD1-CB 3.25Å; N410-K413 WeakPolarHBondContact OD1-CB 3.43Å; N410-K413 PolarHBondContact OD1-N 3.35Å; N410-E414 WeakPolarHBondContact O-CG 3.37Å; N410-E414 PolarHBondContact O-N 2.83Å
411V83.6Confident85.1Confident13 Ų1358.3 Ų58.38%0.07927%0.269CS..Hα-helixtrans-60.7-33.6-174.5-174.60000112Y383 M403 H409 E414 T415Y383-V411 HydrophobicContact CD2-CG1 3.29Å; Y383-V411 HydrophobicContact CE2-CG1 3.54Å; Y383-V411 HydrophobicContact CG-CG1 4.27Å; M403-V411 HydrophobicContact CE-CB 4.36Å; M403-V411 HydrophobicContact CE-CG1 4.17Å; M403-V411 HydrophobicContact CE-CG2 3.24Å; M403-V411 HydrophobicContact CG-CG1 4.38Å; M403-V411 HydrophobicContact CG-CG2 4.46Å; H409-V411 HydrophobicContact CB-CG2 4.31Å; H409-V411 PolarHBondContact O-N 3.36Å; V411-E414 PolarHBondContact O-N 3.36Å; V411-T415 VanDerWaalsContact O-CB 3.3Å; V411-T415 WeakPolarHBondContact O-CB 3.41Å; V411-T415 PolarHBondContact O-N 3.31Å; V411-T415 PolarHBondContact O-OG1 3.28Å
412D87.4Confident85.6Confident95 Ų9554.7 Ų54.751%0.50826%0.257SS..Hα-helixtrans-62.8-45.2176.5-63.8-31.9000111N410 T415 Q416N410-D412 PolarHBondContact O-N 3Å; D412-T415 PolarHBondContact O-N 2.85Å; D412-Q416 WeakPolarHBondContact O-CG 3.24Å; D412-Q416 PolarHBondContact O-N 2.83Å
413K91.1Very high86.1Confident67 Ų6762.1 Ų62.129%0.29128%0.284SS..Hα-helixtrans-68.2-38.6178.3-160.8178.1-157.5-174.60112.1L342 K343 Y344 N410 T415 Q416 F417L342-K413 VanDerWaalsContact O-CD 3.23Å; L342-K413 WeakPolarHBondContact O-CD 3.43Å; L342-K413 WeakPolarHBondContact O-CE 3.4Å; L342-K413 PolarHBondContact O-NZ 3.04Å; K343-K413 VanDerWaalsContact C-NZ 3.35Å; K343-K413 PolarHBondContact O-NZ 3.19Å; Y344-K413 HydrophobicContact CD1-CD 3.77Å; Y344-K413 HydrophobicContact CE1-CB 4.15Å; Y344-K413 HydrophobicContact CE1-CD 3.52Å; Y344-K413 HydrophobicContact CE1-CG 4.27Å; N410-K413 HydrophobicContact CB-CB 4.16Å; N410-K413 PolarHBondContact O-N 2.88Å; N410-K413 VanDerWaalsContact O-N 3.12Å; N410-K413 VanDerWaalsContact OD1-CB 3.25Å; N410-K413 WeakPolarHBondContact OD1-CB 3.43Å; N410-K413 PolarHBondContact OD1-N 3.35Å; K413-T415 VanDerWaalsContact C-N 3.34Å; K413-Q416 PolarHBondContact O-N 3.34Å; K413-F417 WeakPolarHBondContact O-CB 3.37Å; K413-F417 PolarHBondContact O-N 3.36Å
414E94.1Very high86.8Confident5 Ų565.7 Ų65.72%0.02330%0.3CS..Hα-helixtrans-63.4-42173.5-64.8-175.7-172.600111.3L342 Y344 P359 T360 M363 N410 V411 F417 L418L342-E414 HydrophobicContact CD1-CG 4.12Å; L342-E414 HydrophobicContact CD2-CG 4.06Å; Y344-E414 WeakPolarHBondContact OH-CG 3.33Å; Y344-E414 PolarHBondContact OH-OE1 2.86Å; P359-E414 WeakPolarHBondContact CA-OE1 3.39Å; T360-E414 VanDerWaalsContact CB-OE2 3.29Å; T360-E414 WeakPolarHBondContact CB-OE2 3.13Å; T360-E414 WeakPolarHBondContact CG2-OE2 3.2Å; T360-E414 PolarHBondContact N-OE1 3.04Å; T360-E414 PolarHBondContact OG1-OE2 3.27Å; M363-E414 HydrophobicContact CG-CB 4.03Å; M363-E414 HydrophobicContact CG-CG 3.72Å; M363-E414 WeakPolarHBondContact CG-OE2 3.47Å; M363-E414 HydrophobicContact SD-CB 4.12Å; M363-E414 HydrophobicContact SD-CG 4.43Å; N410-E414 WeakPolarHBondContact O-CG 3.37Å; N410-E414 PolarHBondContact O-N 2.83Å; V411-E414 PolarHBondContact O-N 3.36Å; E414-F417 WeakPolarHBondContact O-CB 3.26Å; E414-F417 PolarHBondContact O-N 2.88Å; E414-L418 WeakPolarHBondContact O-CB 3.32Å; E414-L418 WeakPolarHBondContact O-CG 3.43Å; E414-L418 PolarHBondContact O-N 2.89Å
415T92.6Very high87.9Confident29 Ų2962.4 Ų62.418%0.17829%0.292CS..Hα-helixtrans-61.1-49.3176.6-59.90000110.9V411 D412 K413 F417 L418 H419V411-T415 VanDerWaalsContact O-CB 3.3Å; V411-T415 WeakPolarHBondContact O-CB 3.41Å; V411-T415 PolarHBondContact O-N 3.31Å; V411-T415 PolarHBondContact O-OG1 3.28Å; D412-T415 PolarHBondContact O-N 2.85Å; K413-T415 VanDerWaalsContact C-N 3.34Å; T415-F417 VanDerWaalsContact C-N 3.29Å; T415-F417 PolarHBondContact O-N 3.44Å; T415-L418 PolarHBondContact O-N 3.34Å; T415-H419 PolarHBondContact O-CD2 3.46Å; T415-H419 PolarHBondContact O-N 2.79Å
416Q94Very high89Confident134 Ų13456.8 Ų56.863%0.62627%0.266SS*.Hα-helixtrans-58.7-41.1175.6-71.4172.919.600112.5D412 K413 R420D412-Q416 WeakPolarHBondContact O-CG 3.24Å; D412-Q416 PolarHBondContact O-N 2.83Å; K413-Q416 PolarHBondContact O-N 3.34Å; Q416-R420 PolarHBondContact O-N 3.22Å; Q416-R420 VanDerWaalsContact O-N 3.13Å
417F95.8Very high90.4Very high17 Ų1755.2 Ų55.28%0.07526%0.259CS..Hα-helixtrans-63.5-48.5176.7173.9-93.9000111.6L148 F152 F341 L342 M363 L366 K413 E414 T415 H419 R420 L421L148-F417 HydrophobicContact CD1-CZ 4.01Å; F152-F417 HydrophobicContact CD2-CE2 4.31Å; F152-F417 HydrophobicContact CE1-CD2 4.41Å; F152-F417 HydrophobicContact CE1-CE2 4.18Å; F152-F417 HydrophobicContact CE2-CD2 4.24Å; F152-F417 AromaticContact CE2-CE2 3.49Å; F152-F417 HydrophobicContact CE2-CE2 3.49Å; F152-F417 VanDerWaalsContact CE2-CE2 3.49Å; F152-F417 HydrophobicContact CE2-CZ 4.32Å; F152-F417 AromaticContact CZ-CD2 3.72Å; F152-F417 HydrophobicContact CZ-CD2 3.72Å; F152-F417 AromaticContact CZ-CE2 3.4Å; F152-F417 HydrophobicContact CZ-CE2 3.4Å; F152-F417 VanDerWaalsContact CZ-CE2 3.4Å; F341-F417 HydrophobicContact CB-CE2 3.71Å; F341-F417 HydrophobicContact CB-CZ 3.82Å; F341-F417 HydrophobicContact CG-CZ 4.38Å; L342-F417 HydrophobicContact CD2-CB 3.68Å; L342-F417 HydrophobicContact CD2-CD1 4.07Å; L342-F417 HydrophobicContact CD2-CD2 4.23Å; L342-F417 HydrophobicContact CD2-CG 3.74Å; M363-F417 HydrophobicContact CE-CD1 3.16Å; M363-F417 HydrophobicContact CE-CE1 3.22Å; M363-F417 HydrophobicContact CE-CG 4.34Å; M363-F417 HydrophobicContact CE-CZ 4.45Å; L366-F417 HydrophobicContact CD2-CE1 4.17Å; K413-F417 WeakPolarHBondContact O-CB 3.37Å; K413-F417 PolarHBondContact O-N 3.36Å; E414-F417 WeakPolarHBondContact O-CB 3.26Å; E414-F417 PolarHBondContact O-N 2.88Å; T415-F417 VanDerWaalsContact C-N 3.29Å; T415-F417 PolarHBondContact O-N 3.44Å; F417-H419 PolarHBondContact O-N 2.92Å; F417-R420 WeakPolarHBondContact O-CB 3.36Å; F417-R420 PolarHBondContact O-N 2.93Å; F417-R420 VanDerWaalsContact O-N 3.15Å; F417-L421 HydrophobicContact CD1-CD1 4Å; F417-L421 HydrophobicContact CD1-CG 4.2Å; F417-L421 HydrophobicContact CE1-CD1 3.27Å; F417-L421 HydrophobicContact CE1-CD2 4.4Å; F417-L421 HydrophobicContact CE1-CG 3.84Å; F417-L421 HydrophobicContact CE2-CD1 4.44Å; F417-L421 HydrophobicContact CE2-CD2 4.15Å; F417-L421 HydrophobicContact CE2-CG 4.37Å; F417-L421 HydrophobicContact CZ-CD1 3.55Å; F417-L421 HydrophobicContact CZ-CD2 3.98Å; F417-L421 HydrophobicContact CZ-CG 3.93Å; F417-L421 WeakPolarHBondContact O-CG 3.37Å; F417-L421 PolarHBondContact O-N 2.9Å
418L97.1Very high91.8Very high8 Ų850.2 Ų50.24%0.04224%0.242CC..Hα-helixtrans-60-44177.6-72.5175.3000112M363 L366 L378 F381 E414 T415 R420 L421 V422 I427 I434M363-L418 HydrophobicContact CE-CD2 3.92Å; M363-L418 HydrophobicContact CE-CG 4.21Å; M363-L418 HydrophobicContact SD-CD1 3.93Å; M363-L418 HydrophobicContact SD-CD2 3.78Å; M363-L418 HydrophobicContact SD-CG 3.79Å; L366-L418 HydrophobicContact CD2-CD2 3.77Å; L378-L418 HydrophobicContact CD1-CD2 3.62Å; F381-L418 HydrophobicContact CD1-CD1 4.04Å; E414-L418 WeakPolarHBondContact O-CB 3.32Å; E414-L418 WeakPolarHBondContact O-CG 3.43Å; E414-L418 PolarHBondContact O-N 2.89Å; T415-L418 PolarHBondContact O-N 3.34Å; L418-R420 VanDerWaalsContact C-N 3.29Å; L418-R420 PolarHBondContact O-N 3.48Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-L421 VanDerWaalsContact O-N 3.15Å; L418-V422 WeakPolarHBondContact O-CG2 3.15Å; L418-V422 PolarHBondContact O-N 3.46Å; L418-I427 HydrophobicContact CD2-CD1 4.15Å; L418-I434 HydrophobicContact CB-CD1 4.12Å; L418-I434 HydrophobicContact CB-CG1 4.28Å; L418-I434 HydrophobicContact CB-CG2 3.7Å; L418-I434 HydrophobicContact CD1-CD1 4.18Å; L418-I434 HydrophobicContact CD1-CG1 4.3Å; L418-I434 HydrophobicContact CD2-CD1 4.38Å; L418-I434 HydrophobicContact CG-CD1 4.47Å
419H95.8Very high93.3Very high62 Ų6248.2 Ų48.229%0.28723%0.233SC..Hα-helixtrans-55.2-44.8174-82-72.5000112.2T415 F417 V422 R423 I434T415-H419 PolarHBondContact O-CD2 3.46Å; T415-H419 PolarHBondContact O-N 2.79Å; F417-H419 PolarHBondContact O-N 2.92Å; H419-V422 PolarHBondContact O-N 2.95Å; H419-R423 WeakPolarHBondContact O-CB 3.28Å; H419-R423 PolarHBondContact O-N 2.92Å; H419-I434 PolarHBondContact CE1-O 3.24Å; H419-I434 PolarHBondContact ND1-O 3.3Å
420R96.4Very high94.3Very high117 Ų11746.7 Ų46.744%0.44223%0.226SC..Hα-helixtrans-62.8-44.9177.6-173.5175.9-179.1-170.8-3.4111Q416 F417 L418 V422 R423 E424Q416-R420 PolarHBondContact O-N 3.22Å; Q416-R420 VanDerWaalsContact O-N 3.13Å; F417-R420 WeakPolarHBondContact O-CB 3.36Å; F417-R420 PolarHBondContact O-N 2.93Å; F417-R420 VanDerWaalsContact O-N 3.15Å; L418-R420 VanDerWaalsContact C-N 3.29Å; L418-R420 PolarHBondContact O-N 3.48Å; R420-V422 PolarHBondContact O-N 3.48Å; R420-R423 PolarHBondContact O-N 3.34Å; R420-E424 HydrophobicContact CG-CG 4.17Å; R420-E424 WeakPolarHBondContact O-CB 3.28Å; R420-E424 VanDerWaalsContact O-CG 3.23Å; R420-E424 WeakPolarHBondContact O-CG 3.48Å; R420-E424 PolarHBondContact O-N 2.92Å
421L97.8Very high94.9Very high0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-63.1-39.7179.7-64.4-165.4000113.2L148 L151 F152 L366 F417 L418 G425 V426 I427L148-L421 HydrophobicContact CD1-CD1 4.21Å; L148-L421 HydrophobicContact CD1-CD2 3.7Å; L151-L421 HydrophobicContact CD1-CD2 4.1Å; F152-L421 HydrophobicContact CE2-CD2 4Å; L366-L421 HydrophobicContact CD2-CD1 3.7Å; F417-L421 HydrophobicContact CD1-CD1 4Å; F417-L421 HydrophobicContact CD1-CG 4.2Å; F417-L421 HydrophobicContact CE1-CD1 3.27Å; F417-L421 HydrophobicContact CE1-CD2 4.4Å; F417-L421 HydrophobicContact CE1-CG 3.84Å; F417-L421 HydrophobicContact CE2-CD1 4.44Å; F417-L421 HydrophobicContact CE2-CD2 4.15Å; F417-L421 HydrophobicContact CE2-CG 4.37Å; F417-L421 HydrophobicContact CZ-CD1 3.55Å; F417-L421 HydrophobicContact CZ-CD2 3.98Å; F417-L421 HydrophobicContact CZ-CG 3.93Å; F417-L421 WeakPolarHBondContact O-CG 3.37Å; F417-L421 PolarHBondContact O-N 2.9Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-L421 VanDerWaalsContact O-N 3.15Å; L421-G425 PolarHBondContact O-N 3.3Å; L421-V426 HydrophobicContact CB-CB 4.1Å; L421-V426 HydrophobicContact CD2-CB 4.17Å; L421-V426 HydrophobicContact CD2-CG1 4.18Å; L421-V426 HydrophobicContact CD2-CG2 3.98Å; L421-V426 WeakPolarHBondContact O-CB 3.19Å; L421-V426 PolarHBondContact O-N 3.02Å; L421-I427 HydrophobicContact CB-CD1 3.73Å; L421-I427 HydrophobicContact CB-CG1 3.78Å; L421-I427 HydrophobicContact CD1-CD1 4.11Å
422V96.6Very high95.3Very high23 Ų2344.6 Ų44.614%0.13922%0.217CC..Hα-helixtrans-65.7-47.6175.5175.70000110.3L418 H419 R420 E424 G425 I427 D429 I434 H435L418-V422 WeakPolarHBondContact O-CG2 3.15Å; L418-V422 PolarHBondContact O-N 3.46Å; H419-V422 PolarHBondContact O-N 2.95Å; R420-V422 PolarHBondContact O-N 3.48Å; V422-E424 VanDerWaalsContact C-N 3.35Å; V422-E424 PolarHBondContact O-N 3.34Å; V422-G425 PolarHBondContact O-N 2.94Å; V422-I427 HydrophobicContact CG2-CD1 4.09Å; V422-I427 HydrophobicContact CG2-CG1 3.89Å; V422-D429 HydrophobicContact CG1-CB 4.33Å; V422-D429 HydrophobicContact CG2-CB 3.99Å; V422-I434 HydrophobicContact CG2-CB 4.35Å; V422-I434 HydrophobicContact CG2-CD1 4.28Å; V422-I434 HydrophobicContact CG2-CG2 3.97Å; V422-H435 HydrophobicContact CG1-CB 4.06Å
423R95.9Very high95.5Very high186 Ų18641.4 Ų41.470%0.70221%0.206SC*.Hα-helixtrans-59.4-42.3180-174.5-176.4-62171.80.5112.9H419 R420 G425H419-R423 WeakPolarHBondContact O-CB 3.28Å; H419-R423 PolarHBondContact O-N 2.92Å; R420-R423 PolarHBondContact O-N 3.34Å; R423-G425 PolarHBondContact O-N 3.29Å
424E96.4Very high95.6Very high91 Ų9138.7 Ų38.743%0.42520%0.195SC..THydrogen-bonded Turntrans-80.50179.3-60.2-62.6160.300112.7K147 L151 R420 V422 V426K147-E424 PolarHBondContact NZ-O 2.99Å; L151-E424 HydrophobicContact CD1-CB 3.79Å; L151-E424 HydrophobicContact CD1-CG 3.87Å; L151-E424 HydrophobicContact CD2-CB 4.4Å; L151-E424 HydrophobicContact CD2-CG 3.99Å; R420-E424 HydrophobicContact CG-CG 4.17Å; R420-E424 WeakPolarHBondContact O-CB 3.28Å; R420-E424 VanDerWaalsContact O-CG 3.23Å; R420-E424 WeakPolarHBondContact O-CG 3.48Å; R420-E424 PolarHBondContact O-N 2.92Å; V422-E424 VanDerWaalsContact C-N 3.35Å; V422-E424 PolarHBondContact O-N 3.34Å; E424-V426 VanDerWaalsContact C-N 3.29Å; E424-V426 HydrophobicContact CB-CG2 4.1Å; E424-V426 PolarHBondContact O-N 3.5Å
425G95.3Very high95.4Very high27 Ų2742.2 Ų42.228%0.27821%0.211SC..THydrogen-bonded Turntrans60.637.3-179.600000113K147 L421 V422 R423K147-G425 WeakPolarHBondContact CD-O 3.46Å; K147-G425 PolarHBondContact NZ-O 3.29Å; L421-G425 PolarHBondContact O-N 3.3Å; V422-G425 PolarHBondContact O-N 2.94Å; R423-G425 PolarHBondContact O-N 3.29Å
426V97.4Very high95Very high4 Ų442 Ų422%0.02421%0.211CC..SBendtrans-76.9-38.3170.4-179.50000109.6S144 K147 L148 L151 L421 E424S144-V426 WeakPolarHBondContact CA-O 3.28Å; S144-V426 WeakPolarHBondContact CB-O 3.46Å; S144-V426 WeakPolarHBondContact O-CG1 2.97Å; S144-V426 PolarHBondContact OG-O 3.45Å; K147-V426 HydrophobicContact CB-CB 4.39Å; K147-V426 HydrophobicContact CB-CG1 4.39Å; K147-V426 HydrophobicContact CB-CG2 3.88Å; L148-V426 HydrophobicContact CB-CG1 3.85Å; L148-V426 HydrophobicContact CD1-CG1 4.44Å; L151-V426 HydrophobicContact CD1-CG2 3.43Å; L151-V426 VanDerWaalsContact CD1-CG2 3.43Å; L151-V426 HydrophobicContact CG-CG2 4.46Å; L421-V426 HydrophobicContact CB-CB 4.1Å; L421-V426 HydrophobicContact CD2-CB 4.17Å; L421-V426 HydrophobicContact CD2-CG1 4.18Å; L421-V426 HydrophobicContact CD2-CG2 3.98Å; L421-V426 WeakPolarHBondContact O-CB 3.19Å; L421-V426 PolarHBondContact O-N 3.02Å; E424-V426 VanDerWaalsContact C-N 3.29Å; E424-V426 HydrophobicContact CB-CG2 4.1Å; E424-V426 PolarHBondContact O-N 3.5Å
427I97.6Very high94.1Very high7 Ų739.8 Ų39.84%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-134.9160.9178.562.5-178.9000110.3L366 V376 L378 L418 L421 V422L366-I427 HydrophobicContact CD1-CD1 4.49Å; L366-I427 HydrophobicContact CD1-CG2 3.61Å; L366-I427 HydrophobicContact CD2-CD1 4.4Å; V376-I427 HydrophobicContact CB-CG2 4.17Å; V376-I427 HydrophobicContact CG1-CG2 4.36Å; V376-I427 VanDerWaalsContact O-CA 3.28Å; V376-I427 WeakPolarHBondContact O-CA 3.41Å; V376-I427 WeakPolarHBondContact O-CB 3.36Å; L378-I427 HydrophobicContact CD1-CD1 3.54Å; L378-I427 HydrophobicContact CG-CD1 4.03Å; L418-I427 HydrophobicContact CD2-CD1 4.15Å; L421-I427 HydrophobicContact CB-CD1 3.73Å; L421-I427 HydrophobicContact CB-CG1 3.78Å; L421-I427 HydrophobicContact CD1-CD1 4.11Å; V422-I427 HydrophobicContact CG2-CD1 4.09Å; V422-I427 HydrophobicContact CG2-CG1 3.89Å
428S97.3Very high93.4Very high42 Ų4240.7 Ų40.729%0.29421%0.212SC..EExtended strand (participates in β ladder)trans-103.4135.5169.8-570000110.8V376 S377 L378V376-S428 PolarHBondContact O-N 2.94Å; V376-S428 VanDerWaalsContact O-N 3.13Å; S377-S428 CarbonylContact C-O 3.14Å; S377-S428 VanDerWaalsContact CA-O 3.29Å; S377-S428 WeakPolarHBondContact CA-O 3.07Å; L378-S428 PolarHBondContact N-O 3.15Å
429D97.3Very high92.5Very high8 Ų842.8 Ų42.84%0.04323%0.227CC..EExtended strand (participates in β ladder)trans-93.4114.3167.1179.83.3000108.8N130 V422 T431 G432 G433 I434 H435N130-D429 PolarHBondContact ND2-O 3.31Å; V422-D429 HydrophobicContact CG1-CB 4.33Å; V422-D429 HydrophobicContact CG2-CB 3.99Å; D429-T431 PolarHBondContact OD1-N 3.09Å; D429-T431 PolarHBondContact OD1-OG1 3.2Å; D429-G432 VanDerWaalsContact CG-N 3.28Å; D429-G432 PolarHBondContact OD1-N 3.35Å; D429-G432 WeakPolarHBondContact OD2-CA 3.45Å; D429-G432 PolarHBondContact OD2-N 3.22Å; D429-G433 PolarHBondContact OD2-N 3.13Å; D429-G433 VanDerWaalsContact OD2-N 3.15Å; D429-I434 HydrophobicContact CB-CB 4.48Å; D429-I434 HydrophobicContact CB-CD1 4.39Å; D429-I434 WeakPolarHBondContact OD2-CA 3.35Å; D429-I434 VanDerWaalsContact OD2-CB 3.3Å; D429-I434 WeakPolarHBondContact OD2-CB 3.32Å; D429-I434 PolarHBondContact OD2-N 3.37Å; D429-H435 PolarHBondContact OD2-N 3.46Å
430L97.4Very high91Very high0 Ų045.8 Ų45.80%026%0.255CS..SBendtrans-76.4-36.2-178.9-61.9-166.7000111.7V127 N130 V131 V134 V216 F236 L378 A379V127-L430 WeakPolarHBondContact CG1-O 3.46Å; N130-L430 PolarHBondContact ND2-O 3.39Å; V131-L430 HydrophobicContact CG1-CD1 4.37Å; V131-L430 HydrophobicContact CG1-CD2 4.44Å; V131-L430 HydrophobicContact CG2-CB 3.79Å; V131-L430 HydrophobicContact CG2-CD2 4.21Å; V131-L430 HydrophobicContact CG2-CG 4.37Å; V134-L430 HydrophobicContact CB-CD2 4.06Å; V134-L430 HydrophobicContact CG1-CD2 3.91Å; V134-L430 HydrophobicContact CG2-CD2 4.07Å; V216-L430 HydrophobicContact CG2-CD1 3.8Å; F236-L430 HydrophobicContact CE2-CD1 3.7Å; F236-L430 HydrophobicContact CZ-CD1 3.63Å; F236-L430 HydrophobicContact CZ-CD2 4.25Å; L378-L430 WeakPolarHBondContact O-CB 3.4Å; L378-L430 WeakPolarHBondContact O-CG 3.42Å; L378-L430 PolarHBondContact O-N 3.49Å; A379-L430 HydrophobicContact CB-CB 4.18Å; A379-L430 HydrophobicContact CB-CD1 4.23Å
431T95.4Very high88.7Confident1 Ų149.6 Ų49.61%0.00630%0.299CS..SBendtrans-96.4-13.7-169.744.20000113.9L224 L227 L229 A379 G380 D429 G433L224-T431 HydrophobicContact CD2-CG2 3.73Å; L224-T431 HydrophobicContact CG-CG2 4.47Å; L227-T431 HydrophobicContact CD1-CG2 3.82Å; L229-T431 HydrophobicContact CD1-CG2 3.89Å; A379-T431 HydrophobicContact CB-CG2 4.15Å; G380-T431 PolarHBondContact N-OG1 3.31Å; D429-T431 PolarHBondContact OD1-N 3.09Å; D429-T431 PolarHBondContact OD1-OG1 3.2Å; T431-G433 PolarHBondContact O-N 3.4Å
432G92.8Very high88.2Confident13 Ų1352.1 Ų52.113%0.13431%0.314CS..SBendtrans72.27.6-175.700000114.1D429 I434 C436D429-G432 VanDerWaalsContact CG-N 3.28Å; D429-G432 PolarHBondContact OD1-N 3.35Å; D429-G432 WeakPolarHBondContact OD2-CA 3.45Å; D429-G432 PolarHBondContact OD2-N 3.22Å; G432-I434 VanDerWaalsContact C-N 3.32Å; G432-C436 WeakPolarHBondContact O-CB 3.47Å
433G91.3Very high87.8Confident28 Ų2853.6 Ų53.629%0.28932%0.323SS..SBendtrans-72.9-23.5-178.900000113.7F381 G382 D429 T431F381-G433 CarbonylContact O-C 3.52Å; F381-G433 WeakPolarHBondContact O-CA 3.28Å; G382-G433 WeakPolarHBondContact CA-O 3.5Å; D429-G433 PolarHBondContact OD2-N 3.13Å; D429-G433 VanDerWaalsContact OD2-N 3.15Å; T431-G433 PolarHBondContact O-N 3.4Å
434I93.1Very high87.4Confident10 Ų1046.2 Ų46.25%0.05130%0.302CS..SBendtrans-87.8-60.7171.2-57.7160.8000108L378 F381 L418 H419 V422 D429 G432L378-I434 HydrophobicContact CB-CD1 4.32Å; L378-I434 HydrophobicContact CD1-CD1 3.74Å; F381-I434 HydrophobicContact CB-CD1 3.72Å; F381-I434 HydrophobicContact CB-CG1 3.89Å; L418-I434 HydrophobicContact CB-CD1 4.12Å; L418-I434 HydrophobicContact CB-CG1 4.28Å; L418-I434 HydrophobicContact CB-CG2 3.7Å; L418-I434 HydrophobicContact CD1-CD1 4.18Å; L418-I434 HydrophobicContact CD1-CG1 4.3Å; L418-I434 HydrophobicContact CD2-CD1 4.38Å; L418-I434 HydrophobicContact CG-CD1 4.47Å; H419-I434 PolarHBondContact CE1-O 3.24Å; H419-I434 PolarHBondContact ND1-O 3.3Å; V422-I434 HydrophobicContact CG2-CB 4.35Å; V422-I434 HydrophobicContact CG2-CD1 4.28Å; V422-I434 HydrophobicContact CG2-CG2 3.97Å; D429-I434 HydrophobicContact CB-CB 4.48Å; D429-I434 HydrophobicContact CB-CD1 4.39Å; D429-I434 WeakPolarHBondContact OD2-CA 3.35Å; D429-I434 VanDerWaalsContact OD2-CB 3.3Å; D429-I434 WeakPolarHBondContact OD2-CB 3.32Å; D429-I434 PolarHBondContact OD2-N 3.37Å; G432-I434 VanDerWaalsContact C-N 3.32Å
435H89.6Confident86.8Confident79 Ų7943.6 Ų43.637%0.36630%0.295SS..  trans-144.2123.7177.9-179.462.3000108.4V422 D429 P437V422-H435 HydrophobicContact CG1-CB 4.06Å; D429-H435 PolarHBondContact OD2-N 3.46Å; H435-P437 WeakPolarHBondContact O-CD 3.49Å
436C85.2Confident86.3Confident26 Ų2644.6 Ų44.618%0.17630%0.296CS..  trans-103.189.2-176.8-167.80000110.6G432 F438 C439G432-C436 WeakPolarHBondContact O-CB 3.47Å; C436-F438 PolarHBondContact O-N 3.41Å; C436-F438 WeakPolarHBondContact SG-CD2 3.39Å; C436-F438 WeakPolarHBondContact SG-CE2 3.2Å; C436-C439 HydrophobicContact CB-CB 3.53Å; C436-C439 WeakPolarHBondContact CB-SG 3.47Å; C436-C439 PolarHBondContact O-N 3.14Å; C436-C439 WeakPolarHBondContact SG-CB 3.31Å; C436-C439 PolarHBondContact SG-N 3.13Å; C436-C439 CovalentContact SG-SG 2.02Å; C436-C439 PolarHBondContact SG-SG 3.33Å
437P73.8Confident85.6Confident86 Ų8647.3 Ų47.356%0.55831%0.314SS*.THydrogen-bonded Turntrans-70.2-12.1178.630.9-36.9000112.8H435H435-P437 WeakPolarHBondContact O-CD 3.49Å
438F81.1Confident84.7Confident36 Ų3650.2 Ų50.216%0.15833%0.334CS..THydrogen-bonded Turntrans-106.66.2178.352.5-96.1000112.6L126 V127 N130 C436L126-F438 HydrophobicContact CB-CB 4.49Å; L126-F438 HydrophobicContact CB-CD2 3.86Å; L126-F438 HydrophobicContact CB-CG 4.47Å; V127-F438 HydrophobicContact CB-CE2 4.45Å; V127-F438 HydrophobicContact CG2-CE2 3.58Å; V127-F438 HydrophobicContact CG2-CZ 3.99Å; N130-F438 HydrophobicContact CB-CD1 3.77Å; N130-F438 HydrophobicContact CB-CE1 3.66Å; N130-F438 HydrophobicContact CB-CZ 4.33Å; N130-F438 VanDerWaalsContact CG-CE1 3.43Å; N130-F438 WeakPolarHBondContact ND2-CE1 3.39Å; C436-F438 PolarHBondContact O-N 3.41Å; C436-F438 WeakPolarHBondContact SG-CD2 3.39Å; C436-F438 WeakPolarHBondContact SG-CE2 3.2Å
439C78.8Confident83.7Confident52 Ų5250.8 Ų50.835%0.35134%0.337SS..SBendtrans-91.9139171.4-680000109.4C436 S441C436-C439 HydrophobicContact CB-CB 3.53Å; C436-C439 WeakPolarHBondContact CB-SG 3.47Å; C436-C439 PolarHBondContact O-N 3.14Å; C436-C439 WeakPolarHBondContact SG-CB 3.31Å; C436-C439 PolarHBondContact SG-N 3.13Å; C436-C439 CovalentContact SG-SG 2.02Å; C436-C439 PolarHBondContact SG-SG 3.33Å; C439-S441 PolarHBondContact O-N 3.21Å
440S64.8Low82.6Confident126 Ų12654.4 Ų54.488%0.88136%0.362SS*.  trans-58.6133.1169.1-47.90000109.7
441S48Very low81.2Confident196 Ų19659.4 Ų59.4100%1.37140%0.395SS*.  trans-69.50177.6-56.40000112.8C439C439-S441 PolarHBondContact O-N 3.21Å

Retrieved 441 of 441 residues in 795.2 ms (Link to these results)

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