A0A077ZC14_TRITR Loading...

Forkhead box protein D3

AlphaFold DB , UniProt , Accession A0A077ZC14, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53Low50.6Low243 Ų243153.9 Ų153.9100%1.19785%0.846SS**  095.90-75.2149.6136.700106.8
2S52Low50.5Low128 Ų128149.7 Ų149.790%0.89583%0.831SS**  trans-101.5102.9-174.3-64.30000109.3
3E56.5Low49.5Very low189 Ų189150.8 Ų150.888%0.88384%0.835SS**  trans-87.4128.6175.9-67.5-174.1137.800110.5V5E3-V5 PolarHBondContact O-N 3.08Å
4K53Low49Very low197 Ų197154 Ų15486%0.85784%0.836SS**  trans-92.998.3-174.7-149.2172.3-166.3-80.30107.8T6K4-T6 PolarHBondContact O-N 3.27Å
5V54.1Low48.5Very low129 Ų129155.7 Ų155.778%0.78284%0.839SS**  trans-71.5116.4172.8176.90000108.5E3 T7E3-V5 PolarHBondContact O-N 3.08Å; V5-T7 HydrophobicContact CG1-CG2 4.39Å
6T53.5Low48Very low123 Ų123159.9 Ų159.976%0.75584%0.839SS**  trans-105.7112175.6-32.70000107.4K4K4-T6 PolarHBondContact O-N 3.27Å
7T49.9Very low47.8Very low120 Ų120160.5 Ų160.574%0.73683%0.834SS**  trans-85.6113.9-178.537.50000111.1V5V5-T7 HydrophobicContact CG1-CG2 4.39Å
8T44.7Very low47.4Very low139 Ų139153.8 Ų153.885%0.85380%0.803SS**  trans-79.3116170.8-10.10000109.4
9T47.5Very low47.6Very low121 Ų121151.7 Ų151.774%0.74279%0.791SS**  trans-92.8110.6175.6-65.50000110.1
10T41.2Very low47.6Very low131 Ų131151.7 Ų151.780%0.80479%0.786SS**PPolyproline II helixtrans-83.3117.7173.9-59.10000109.9
11H51.3Low47.3Very low173 Ų173152.7 Ų152.780%0.80179%0.787SS**PPolyproline II helixtrans-99.7132.4173.6-117.1-69.9000110.6
12P49.6Very low47Very low103 Ų103147.8 Ų147.867%0.66977%0.765SS**PPolyproline II helixtrans-87.1145.8-176.233.7-32.4000112.6
13N37.4Very low46.6Very low165 Ų165149.5 Ų149.588%0.88276%0.763SS**  trans54.979.1156.4-73-36.4000118.1
14K41.9Very low45.6Very low195 Ų195146.9 Ų146.985%0.84876%0.764SS**  trans-105.2115.1149.9-118.3174.2-178.4175.70107.5R16K14-R16 PolarHBondContact O-N 3.4Å
15M41.2Very low44.7Very low180 Ų180140.9 Ų140.989%0.88776%0.758SS**  trans-58.782167-69.9-92.7-115.500108.6F17M15-F17 PolarHBondContact O-N 3.08Å
16R41.6Very low43.9Very low222 Ų222140.7 Ų140.784%0.83876%0.762SS**  trans-85.489175.5-168.5-179.4-173.9162.1-0.3105.8K14 S18K14-R16 PolarHBondContact O-N 3.4Å; R16-S18 VanDerWaalsContact C-N 3.33Å; R16-S18 PolarHBondContact O-N 3.45Å
17F44.1Very low43Very low170 Ų170141.9 Ų141.975%0.74677%0.769SS**  trans-62.2104.4157.9-88.2-85.5000106.1M15M15-F17 PolarHBondContact O-N 3.08Å
18S39.9Very low43Very low41 Ų41141.9 Ų141.929%0.28778%0.775SS.*  trans-65.7132.4168.7-140.20000106.9R16 E20R16-S18 VanDerWaalsContact C-N 3.33Å; R16-S18 PolarHBondContact O-N 3.45Å; S18-E20 PolarHBondContact O-N 2.8Å; S18-E20 PolarHBondContact OG-OE2 3.36Å
19M52.3Low43Very low114 Ų114139.8 Ų139.856%0.56277%0.771SS**THydrogen-bonded Turntrans-65.80.2177.9-135.8-170.9-117.600112.4L94 F169M19-L94 HydrophobicContact CE-CD1 4.13Å; M19-F169 HydrophobicContact CE-CE2 4.24Å; M19-F169 HydrophobicContact CE-CZ 3.83Å
20E47.3Very low42.9Very low150 Ų150139.5 Ų139.570%0.70177%0.771SS**THydrogen-bonded Turntrans-102.4-12.8-167.4-62151.9-174.400112.7S18 I22S18-E20 PolarHBondContact O-N 2.8Å; S18-E20 PolarHBondContact OG-OE2 3.36Å; E20-I22 PolarHBondContact O-N 3Å
21E41Very low43.4Very low173 Ų173140 Ų14081%0.80877%0.774SS**THydrogen-bonded Turntrans-86.15.3-177.8-82.1-163141.300115.4
22I46.3Very low43.3Very low141 Ų141139.2 Ų139.272%0.72378%0.776SS**THydrogen-bonded Turntrans-107.33.7173-54.6178.3000111.3E20E20-I22 PolarHBondContact O-N 3Å
23L44.3Very low43.2Very low163 Ų163139.1 Ų139.185%0.85378%0.778SS**  trans-109.354.5178.6-126.885.4000111.5
24C35.7Very low43.8Very low134 Ų134136.5 Ų136.591%0.90577%0.77SS**  trans-143.996.9167.5-153.50000109.1
25G34.3Very low43.9Very low71 Ų71135.4 Ų135.473%0.73277%0.768SS**SBendtrans167.185.7-177.700000110.3
26S37.5Very low44.1Very low126 Ų126136.5 Ų136.588%0.88176%0.762SS**  trans91.374.3164.4-43.40000117.1
27T35Very low44.1Very low147 Ų147133.5 Ų133.590%0.90276%0.758SS**  trans-109.1115.1147.253.70000109.2
28S48.9Very low44.1Very low121 Ų121134.2 Ų134.285%0.84676%0.763SS**  trans-143.9104.7156.756.30000107.1
29A45.4Very low44.3Very low94 Ų94137.7 Ų137.778%0.77779%0.785SS**  trans-90.5-169.7175.400000110.1
30P45.4Very low43.9Very low115 Ų115137.7 Ų137.775%0.74780%0.796SS**  -128.7155-70.235.6-20.8000111.6
31T50.5Low44.4Very low141 Ų141136.7 Ų136.787%0.86580%0.803SS**  trans-154.5115.2164.5-47.40000112.6
32D49.8Very low44.3Very low157 Ų157132.3 Ų132.384%0.8480%0.804SS**  trans67.2135.9141.4-14329.8000123.4
33S46.7Very low44.1Very low102 Ų102129.6 Ų129.671%0.71381%0.811SS**  trans-90-171.9-179.3-72.70000111.4
34P50.9Low44.1Very low109 Ų109128 Ų12871%0.70881%0.813SS**  cis-131.4-178.8-40.430.9-10.7000113.6
35E44.6Very low44.7Very low173 Ų173127.5 Ų127.581%0.80881%0.812SS**  trans80.8114.8143.8-143.8167.1120.300120.8
36R43.9Very low45.3Very low203 Ų203129.4 Ų129.477%0.76681%0.814SS**  157.4122.9114.2-168.5177.5-95.9-135.92.5114.3
37E41.9Very low46.1Very low158 Ų158128.7 Ų128.774%0.73881%0.808SS**  trans52.1118.7146.9-61178.9121.400125.1
38Q44.7Very low46.5Very low185 Ų185129.6 Ų129.686%0.86480%0.803SS**  trans4.5173.7132.4-64.5-155.8-13.300122.3
39P43.6Very low46.2Very low115 Ų115133 Ų13375%0.74780%0.798SS**  cis-136.4-175.5-23.427.4-3000115
40S45.2Very low46.1Very low114 Ų114137.8 Ų137.880%0.79780%0.802SS**  trans-54.2165.4179.8-41.60000119
41P56.8Low45.8Very low128 Ų128136.1 Ų136.183%0.83181%0.805SS**  -140.7158.5113.534.8-18.9000111.8
42G38.5Very low45.9Very low82 Ų82133.2 Ų133.285%0.84580%0.795SS**  cis99.611036.900000109.7
43G42.5Very low45.5Very low84 Ų84132.8 Ų132.887%0.86679%0.793SS**  trans15694.2167.500000117
44S44Very low45.7Very low129 Ų129133.1 Ų133.190%0.90280%0.795SS**  trans-77146.8160.2-70.90000111.1
45S48.4Very low45.9Very low124 Ų124134.4 Ų134.487%0.86780%0.801SS**  trans-166.8133.1140.6-165.20000111.8
46S46.5Very low46.1Very low111 Ų111135.1 Ų135.178%0.77681%0.806SS**  trans-102.814217463.80000111.1
47S54.8Low46.5Very low110 Ų110131.2 Ų131.277%0.76981%0.81SS**  trans-169.9115.2150.5530000107.9
48E43.9Very low46.6Very low167 Ų167133.1 Ų133.178%0.7882%0.819SS**  82.698.369.9-164.194.2-171.200112.5
49Y41.7Very low46.9Very low191 Ų191127.9 Ų127.975%0.74982%0.815SS**  trans51132.7145.3-68.1-84000125.9
50K43.6Very low47.1Very low196 Ų196130.2 Ų130.285%0.85282%0.821SS**  95.3133.7123.8-98.9173.8175.11690122.2
51G39.9Very low47Very low79 Ų79131.3 Ų131.381%0.81482%0.818SS**  trans85.2144158.200000113.5
52A51.2Low46.4Very low80 Ų80130.1 Ų130.166%0.66181%0.813SS**  cis-163134.8-1.700000105.2
53D42Very low46.9Very low149 Ų149135.5 Ų135.580%0.79782%0.816SS**  79.5139.7106.986.7-42.8000116.7
54S51.7Low47Very low108 Ų108141 Ų14176%0.75582%0.819SS**  trans74.3130.8176-135.20000115
55V53.9Low47.3Very low136 Ų136140.5 Ų140.582%0.82482%0.815SS**  cis-161.6149.537.1-1380000108.6
56M50.2Low47.4Very low188 Ų188139 Ų13993%0.92681%0.805SS**  trans-59.3138.3176.4-55-75.4-136.600113.1
57S50.8Low47.8Very low122 Ų122137.3 Ų137.385%0.85380%0.797SS**  trans-156.7113.3142.9-157.90000109.9
58E44.1Very low47.8Very low197 Ų197140.5 Ų140.592%0.92180%0.8SS**  trans-60.3145.3165.1-70.6168.5106.400110
59G50.9Low48.1Very low75 Ų75137.9 Ų137.977%0.77379%0.788SS**  trans160100.8170.800000114.5
60N47.8Very low48.8Very low165 Ų165133.2 Ų133.288%0.88278%0.779SS**  trans102.998.5151.1-134.335.2000117.9
61D44.9Very low49.2Very low137 Ų137131 Ų13173%0.73377%0.772SS**  trans-55.3149.9165.3-68-71000114.4
62S44.3Very low49.9Very low103 Ų103135 Ų13572%0.7277%0.766SS**  trans58.597.5140.4-560000118.6
63E48.3Very low49.9Very low195 Ų195137.7 Ų137.791%0.91176%0.763SS**  trans-179.649.7144.8-104.5173.1161.200115.3
64Q43.4Very low50.5Low200 Ų200141.3 Ų141.394%0.93577%0.766SS**SBendtrans-157.558.2166.4-136.5154.15.100115.3
65S50.7Low50.8Low117 Ų117139.8 Ų139.882%0.81875%0.749SS**SBendtrans-140.33.9172.663.40000115.3
66S51.6Low50.6Low93 Ų93136.8 Ų136.865%0.6573%0.734SS**SBendtrans-102.7-8.2-176.464.10000115.6
67A54.6Low51.1Low75 Ų75135.8 Ų135.862%0.6273%0.727SS**Hα-helixtrans-82.6-21.9-176.100000114.5H71A67-H71 PolarHBondContact O-ND1 3.46Å
68E53.8Low52.4Low177 Ų177131.6 Ų131.683%0.82770%0.697SS**Hα-helixtrans-85-23.7-178.3-63.2-166.6154.900113.4
69E51.5Low54.5Low113 Ų113127.9 Ų127.953%0.52869%0.688SS.*Hα-helixtrans-77.5-28179.8-121.8-98.3147.200112.4K72 K73E69-K72 PolarHBondContact O-N 3.01Å; E69-K73 IonicContact OE2-NZ 2.8Å; E69-K73 PolarHBondContact OE2-NZ 3.09Å
70V54.9Low56.4Low92 Ų92129.8 Ų129.856%0.55868%0.675SS**Hα-helixtrans-75.9-26.6-178-178.90000112.4K72 K73V70-K72 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 3.18Å; V70-K73 PolarHBondContact O-N 3.45Å
71H53.5Low58.4Low151 Ų151122.7 Ų122.770%0.69964%0.637SS**THydrogen-bonded Turntrans-74.1-20.3174.9-83.383.3000113.5A67A67-H71 PolarHBondContact O-ND1 3.46Å
72K54.4Low60.6Low162 Ų162121.1 Ų121.170%0.70464%0.635SS**THydrogen-bonded Turntrans-80.5-24.8177-157.7168.8-178.1175.10112.6E69 V70E69-K72 PolarHBondContact O-N 3.01Å; V70-K72 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 3.18Å
73K51.5Low63Low137 Ų137119.4 Ų119.460%0.59661%0.613SS**G310 helixtrans-85.1-9.8-179.6-80.5169.7178.4144.90115.1E69 V70 S76E69-K73 IonicContact OE2-NZ 2.8Å; E69-K73 PolarHBondContact OE2-NZ 3.09Å; V70-K73 PolarHBondContact O-N 3.45Å; K73-S76 PolarHBondContact O-OG 3.31Å
74R54.4Low65.1Low225 Ų225112 Ų11285%0.84958%0.583SS**G310 helixtrans-88.1-4.8170.6-72.6-169.3172.4-179.8-0.6114.5S76R74-S76 VanDerWaalsContact C-N 3.28Å
75L57.2Low67.6Low75 Ų75105.5 Ų105.539%0.39355%0.55SS.*G310 helixtrans-83.9-6.3172.3-67.3163000112.4H77 S78L75-H77 PolarHBondContact O-N 3.46Å; L75-S78 PolarHBondContact O-N 3.47Å
76S50.5Low69.7Low73 Ų73102 Ų10251%0.5152%0.522SS..THydrogen-bonded Turntrans-64.711717863.50000110.4K73 R74K73-S76 PolarHBondContact O-OG 3.31Å; R74-S76 VanDerWaalsContact C-N 3.28Å
77H59.4Low71.8Confident168 Ų16897.6 Ų97.678%0.77849%0.491SS*.THydrogen-bonded Turntrans8344.9-178.6-38.896.4000115.6L75 V79L75-H77 PolarHBondContact O-N 3.46Å; H77-V79 PolarHBondContact O-N 3.5Å
78S77.6Confident73.7Confident34 Ų3494 Ų9424%0.23846%0.462CS..  trans-61.7102.3156.560.20000109L75 Y116L75-S78 PolarHBondContact O-N 3.47Å; S78-Y116 WeakPolarHBondContact O-CD2 3.23Å; S78-Y116 WeakPolarHBondContact OG-CA 3.31Å
79V88.3Confident75.8Confident119 Ų11985.6 Ų85.672%0.72142%0.422SS*.PPolyproline II helixtrans-76.8139.4177.7177.90000108.7H77 P81H77-V79 PolarHBondContact O-N 3.5Å; V79-P81 VanDerWaalsContact O-CD 3.29Å; V79-P81 WeakPolarHBondContact O-CD 3.4Å
80K91.1Very high77.9Confident114 Ų11480.2 Ų80.250%0.49640%0.397SS..PPolyproline II helixtrans-59.5121.5175.4-176.9175.9176.7-179.20109.8Y116K80-Y116 HydrophobicContact CB-CD1 4.22Å; K80-Y116 HydrophobicContact CB-CD2 4.41Å; K80-Y116 HydrophobicContact CB-CE1 3.79Å; K80-Y116 HydrophobicContact CB-CE2 3.95Å; K80-Y116 HydrophobicContact CB-CG 4.5Å; K80-Y116 HydrophobicContact CD-CE1 4.13Å; K80-Y116 HydrophobicContact CG-CD1 4.2Å; K80-Y116 HydrophobicContact CG-CE1 3.65Å
81P91Very high79.8Confident16 Ų1676.4 Ų76.410%0.10437%0.373CS..PPolyproline II helixtrans-60.8144.5177.8-23.433.4000111.8V79 Y83 F114 Y117V79-P81 VanDerWaalsContact O-CD 3.29Å; V79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-Y83 HydrophobicContact CB-CD2 3.74Å; P81-Y83 HydrophobicContact CB-CE2 4.4Å; P81-Y83 PolarHBondContact O-N 3.49Å; P81-F114 HydrophobicContact CB-CD1 3.96Å; P81-F114 HydrophobicContact CB-CE1 4.02Å; P81-F114 HydrophobicContact CG-CB 3.96Å; P81-F114 HydrophobicContact CG-CD1 3.34Å; P81-F114 HydrophobicContact CG-CE1 3.94Å; P81-F114 HydrophobicContact CG-CG 3.72Å; P81-Y117 HydrophobicContact CG-CE2 4.17Å
82P91Very high81.9Confident105 Ų10569.2 Ų69.268%0.68234%0.34SS*.SBendtrans-76.337.3178.434.3-37.4000112.7
83Y93.2Very high83.9Confident66 Ų6661.6 Ų61.626%0.25931%0.307SS..  trans-112.2140.2180-61.7-58.8000111P81 A87 L88 M91 F114 F169P81-Y83 HydrophobicContact CB-CD2 3.74Å; P81-Y83 HydrophobicContact CB-CE2 4.4Å; P81-Y83 PolarHBondContact O-N 3.49Å; Y83-A87 HydrophobicContact CD1-CB 4.5Å; Y83-L88 HydrophobicContact CD2-CD2 4.44Å; Y83-M91 HydrophobicContact CD1-CE 4.3Å; Y83-M91 HydrophobicContact CD2-CE 3.94Å; Y83-M91 HydrophobicContact CE2-CE 4.33Å; Y83-M91 HydrophobicContact CG-CE 3.93Å; Y83-F114 HydrophobicContact CD2-CE1 4.13Å; Y83-F114 AromaticContact CD2-CZ 3.78Å; Y83-F114 HydrophobicContact CD2-CZ 3.78Å; Y83-F114 HydrophobicContact CE2-CE1 4.03Å; Y83-F114 AromaticContact CE2-CZ 3.83Å; Y83-F114 HydrophobicContact CE2-CZ 3.83Å; Y83-F169 HydrophobicContact CD1-CB 3.72Å; Y83-F169 HydrophobicContact CE1-CB 3.66Å
84S94Very high85.9Confident39 Ų3955.8 Ų55.827%0.27328%0.283SS..  trans-73.8158.9169.169.50000110.6I86 A87 L88S84-I86 PolarHBondContact O-N 3.27Å; S84-A87 WeakPolarHBondContact O-CB 3.37Å; S84-A87 PolarHBondContact O-N 3.46Å; S84-A87 PolarHBondContact OG-N 3.22Å; S84-L88 WeakPolarHBondContact O-CG 3.11Å; S84-L88 PolarHBondContact O-N 3.39Å
85Y96.1Very high87.8Confident64 Ų6449.2 Ų49.225%0.25126%0.264SS..Hα-helixtrans-57.6-35.8174.4-66.1-59.2000112.8A87 L88 I89 Y117 S127 I128 N131Y85-A87 VanDerWaalsContact C-N 3.33Å; Y85-A87 PolarHBondContact O-N 2.98Å; Y85-L88 HydrophobicContact CD1-CD1 4.04Å; Y85-L88 PolarHBondContact O-N 3.37Å; Y85-I89 WeakPolarHBondContact O-CD1 3.32Å; Y85-I89 VanDerWaalsContact O-CG1 3.24Å; Y85-I89 WeakPolarHBondContact O-CG1 3.15Å; Y85-I89 PolarHBondContact O-N 3.48Å; Y85-Y117 HydrophobicContact CE1-CE1 4.24Å; Y85-S127 WeakPolarHBondContact CE1-OG 3.47Å; Y85-S127 WeakPolarHBondContact CE2-OG 3.42Å; Y85-S127 PolarHBondContact OH-OG 3.25Å; Y85-I128 HydrophobicContact CD1-CD1 3.75Å; Y85-I128 HydrophobicContact CE1-CD1 4.46Å; Y85-I128 HydrophobicContact CG-CD1 4.38Å; Y85-N131 VanDerWaalsContact CB-ND2 3.27Å; Y85-N131 WeakPolarHBondContact CB-ND2 3.38Å; Y85-N131 WeakPolarHBondContact CD2-ND2 3.43Å
86I94.7Very high89.6Confident43 Ų4346.1 Ų46.122%0.22125%0.249CC..Hα-helixtrans-57-49.6174-58.4173.5000109.6S84 L88 I89 T90 F138 F164S84-I86 PolarHBondContact O-N 3.27Å; I86-L88 PolarHBondContact O-N 2.92Å; I86-I89 PolarHBondContact O-N 2.71Å; I86-T90 PolarHBondContact O-N 3.03Å; I86-T90 PolarHBondContact O-OG1 3.47Å; I86-F138 HydrophobicContact CG2-CE2 4.15Å; I86-F138 HydrophobicContact CG2-CZ 3.92Å; I86-F164 HydrophobicContact CG2-CE1 4.23Å; I86-F164 HydrophobicContact CG2-CZ 3.85Å
87A94.6Very high91.8Very high1 Ų149 Ų491%0.00827%0.266CS..Hα-helixtrans-62.9-40178.600000112.8Y83 S84 Y85 T90 M91 F169Y83-A87 HydrophobicContact CD1-CB 4.5Å; S84-A87 WeakPolarHBondContact O-CB 3.37Å; S84-A87 PolarHBondContact O-N 3.46Å; S84-A87 PolarHBondContact OG-N 3.22Å; Y85-A87 VanDerWaalsContact C-N 3.33Å; Y85-A87 PolarHBondContact O-N 2.98Å; A87-T90 PolarHBondContact O-N 2.86Å; A87-M91 WeakPolarHBondContact O-CB 3.39Å; A87-M91 WeakPolarHBondContact O-CE 3.49Å; A87-M91 WeakPolarHBondContact O-CG 3.5Å; A87-M91 PolarHBondContact O-N 3.4Å; A87-F169 HydrophobicContact CB-CB 3.97Å; A87-F169 HydrophobicContact CB-CD1 4.12Å; A87-F169 WeakPolarHBondContact CB-O 3.33Å
88L95.8Very high93.5Very high0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-60.9-45.8176.2-66.4175.2000112.1Y83 S84 Y85 I86 M91 A92 I110 F114 Y117Y83-L88 HydrophobicContact CD2-CD2 4.44Å; S84-L88 WeakPolarHBondContact O-CG 3.11Å; S84-L88 PolarHBondContact O-N 3.39Å; Y85-L88 HydrophobicContact CD1-CD1 4.04Å; Y85-L88 PolarHBondContact O-N 3.37Å; I86-L88 PolarHBondContact O-N 2.92Å; L88-M91 HydrophobicContact CD2-CE 3.79Å; L88-M91 PolarHBondContact O-N 2.92Å; L88-A92 PolarHBondContact O-N 3.26Å; L88-A92 VanDerWaalsContact O-N 3.08Å; L88-I110 HydrophobicContact CB-CD1 3.88Å; L88-I110 HydrophobicContact CB-CG1 4.16Å; L88-I110 HydrophobicContact CD1-CG2 4.43Å; L88-F114 HydrophobicContact CD2-CD2 3.64Å; L88-F114 HydrophobicContact CD2-CE2 3.33Å; L88-F114 HydrophobicContact CD2-CZ 4.12Å; L88-Y117 HydrophobicContact CD1-CE2 3.88Å
89I97Very high94.4Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-65.4-46.3178.5-64.5162.3000110.1Y85 I86 M91 A92 I93 I106 I128 N131 L132 F138Y85-I89 WeakPolarHBondContact O-CD1 3.32Å; Y85-I89 VanDerWaalsContact O-CG1 3.24Å; Y85-I89 WeakPolarHBondContact O-CG1 3.15Å; Y85-I89 PolarHBondContact O-N 3.48Å; I86-I89 PolarHBondContact O-N 2.71Å; I89-M91 VanDerWaalsContact C-N 3.34Å; I89-M91 PolarHBondContact O-N 3.11Å; I89-A92 WeakPolarHBondContact O-CB 3.4Å; I89-A92 PolarHBondContact O-N 2.89Å; I89-A92 VanDerWaalsContact O-N 3.1Å; I89-I93 HydrophobicContact CG2-CD1 3.84Å; I89-I93 HydrophobicContact CG2-CG1 4.43Å; I89-I93 WeakPolarHBondContact O-CG1 3.38Å; I89-I93 PolarHBondContact O-N 3.4Å; I89-I106 HydrophobicContact CG1-CG2 4.12Å; I89-I106 HydrophobicContact CG2-CD1 4.31Å; I89-I128 HydrophobicContact CD1-CD1 4.42Å; I89-I128 HydrophobicContact CD1-CG2 4.24Å; I89-I128 HydrophobicContact CG1-CD1 4.31Å; I89-I128 HydrophobicContact CG1-CG2 4.33Å; I89-N131 HydrophobicContact CD1-CB 3.83Å; I89-L132 HydrophobicContact CD1-CD2 4.12Å; I89-L132 HydrophobicContact CD1-CG 4.19Å; I89-L132 HydrophobicContact CG2-CD2 3.76Å; I89-F138 HydrophobicContact CB-CE1 3.99Å; I89-F138 HydrophobicContact CB-CE2 4.25Å; I89-F138 HydrophobicContact CB-CZ 3.65Å; I89-F138 HydrophobicContact CD1-CE2 4Å; I89-F138 HydrophobicContact CD1-CZ 4.27Å; I89-F138 HydrophobicContact CG2-CD1 3.85Å; I89-F138 HydrophobicContact CG2-CE1 3.37Å; I89-F138 HydrophobicContact CG2-CE2 4.08Å; I89-F138 HydrophobicContact CG2-CG 4.4Å; I89-F138 HydrophobicContact CG2-CZ 3.5Å
90T95.5Very high94.8Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-60.1-44.3178.4-58.10000111.5I86 A87 A92 I93 L94 L156 F164 F169I86-T90 PolarHBondContact O-N 3.03Å; I86-T90 PolarHBondContact O-OG1 3.47Å; A87-T90 PolarHBondContact O-N 2.86Å; T90-A92 VanDerWaalsContact C-N 3.3Å; T90-A92 PolarHBondContact O-N 3.36Å; T90-I93 PolarHBondContact O-N 3.14Å; T90-L94 HydrophobicContact CG2-CD1 3.68Å; T90-L94 HydrophobicContact CG2-CG 4Å; T90-L94 WeakPolarHBondContact O-CB 3.46Å; T90-L94 WeakPolarHBondContact O-CG 3.39Å; T90-L94 PolarHBondContact O-N 2.99Å; T90-L156 HydrophobicContact CG2-CD1 4.34Å; T90-L156 HydrophobicContact CG2-CD2 4Å; T90-F164 HydrophobicContact CG2-CB 3.72Å; T90-F164 HydrophobicContact CG2-CD1 4.05Å; T90-F164 HydrophobicContact CG2-CD2 3.77Å; T90-F164 HydrophobicContact CG2-CE2 4.37Å; T90-F164 HydrophobicContact CG2-CG 3.59Å; T90-F169 HydrophobicContact CG2-CE1 4.44Å
91M95.2Very high95.1Very high12 Ų1243.1 Ų43.16%0.05923%0.227CC..Hα-helixtrans-57.5-43.8173.9-75.8-174.9-73.400111.4Y83 A87 L88 I89 I93 N95 F109 F114 F169Y83-M91 HydrophobicContact CD1-CE 4.3Å; Y83-M91 HydrophobicContact CD2-CE 3.94Å; Y83-M91 HydrophobicContact CE2-CE 4.33Å; Y83-M91 HydrophobicContact CG-CE 3.93Å; A87-M91 WeakPolarHBondContact O-CB 3.39Å; A87-M91 WeakPolarHBondContact O-CE 3.49Å; A87-M91 WeakPolarHBondContact O-CG 3.5Å; A87-M91 PolarHBondContact O-N 3.4Å; L88-M91 HydrophobicContact CD2-CE 3.79Å; L88-M91 PolarHBondContact O-N 2.92Å; I89-M91 VanDerWaalsContact C-N 3.34Å; I89-M91 PolarHBondContact O-N 3.11Å; M91-I93 PolarHBondContact O-N 3.25Å; M91-N95 WeakPolarHBondContact O-CB 3.35Å; M91-N95 PolarHBondContact O-N 3.08Å; M91-N95 VanDerWaalsContact O-N 3.17Å; M91-N95 PolarHBondContact O-ND2 2.78Å; M91-F109 HydrophobicContact CB-CE1 4.15Å; M91-F109 HydrophobicContact CB-CZ 4.47Å; M91-F114 HydrophobicContact CE-CE2 4.11Å; M91-F114 HydrophobicContact CE-CZ 4.13Å; M91-F169 HydrophobicContact CG-CD1 3.74Å; M91-F169 HydrophobicContact CG-CE1 3.47Å; M91-F169 VanDerWaalsContact CG-CE1 3.47Å; M91-F169 HydrophobicContact CG-CE2 4.39Å; M91-F169 HydrophobicContact CG-CG 4.32Å; M91-F169 HydrophobicContact CG-CZ 3.84Å; M91-F169 HydrophobicContact SD-CD1 4.34Å; M91-F169 HydrophobicContact SD-CG 4.38Å
92A96.9Very high95.4Very high1 Ų142.8 Ų42.81%0.00823%0.225CC..Hα-helixtrans-59-50177.700000111.5L88 I89 T90 N95 S96 L101 I106 F109L88-A92 PolarHBondContact O-N 3.26Å; L88-A92 VanDerWaalsContact O-N 3.08Å; I89-A92 WeakPolarHBondContact O-CB 3.4Å; I89-A92 PolarHBondContact O-N 2.89Å; I89-A92 VanDerWaalsContact O-N 3.1Å; T90-A92 VanDerWaalsContact C-N 3.3Å; T90-A92 PolarHBondContact O-N 3.36Å; A92-N95 PolarHBondContact O-N 3.42Å; A92-S96 PolarHBondContact O-N 3.27Å; A92-L101 VanDerWaalsContact C-CD1 3.46Å; A92-L101 HydrophobicContact CB-CD1 3.88Å; A92-L101 WeakPolarHBondContact O-CD1 3.46Å; A92-I106 HydrophobicContact CB-CG1 4.43Å; A92-I106 HydrophobicContact CB-CG2 4.43Å; A92-F109 VanDerWaalsContact CA-CD1 3.49Å; A92-F109 VanDerWaalsContact CA-CE1 3.46Å; A92-F109 HydrophobicContact CB-CB 4.05Å; A92-F109 HydrophobicContact CB-CD1 3.37Å; A92-F109 HydrophobicContact CB-CD2 4.46Å; A92-F109 HydrophobicContact CB-CE1 3.86Å; A92-F109 HydrophobicContact CB-CG 3.71Å
93I96.5Very high95.7Very high1 Ų139.8 Ų39.81%0.00520%0.203CC..Hα-helixtrans-64.8-45.3-177.6-65.2173.6000111.3I89 T90 M91 N95 S96 K99 F138 L156I89-I93 HydrophobicContact CG2-CD1 3.84Å; I89-I93 HydrophobicContact CG2-CG1 4.43Å; I89-I93 WeakPolarHBondContact O-CG1 3.38Å; I89-I93 PolarHBondContact O-N 3.4Å; T90-I93 PolarHBondContact O-N 3.14Å; M91-I93 PolarHBondContact O-N 3.25Å; I93-N95 VanDerWaalsContact C-N 3.28Å; I93-N95 PolarHBondContact O-N 3.45Å; I93-S96 WeakPolarHBondContact O-CB 3.26Å; I93-S96 PolarHBondContact O-N 3.07Å; I93-S96 PolarHBondContact O-OG 2.98Å; I93-K99 WeakPolarHBondContact CG2-O 3.34Å; I93-F138 HydrophobicContact CD1-CD1 4Å; I93-F138 HydrophobicContact CD1-CE1 4.19Å; I93-L156 HydrophobicContact CG2-CB 4.32Å
94L94Very high95.9Very high16 Ų1638.9 Ų38.98%0.08421%0.206CC..Hα-helixtrans-65-30.6-178.6-71.3177.8000113.3M19 T90 S96 K99 L156 E161 F164M19-L94 HydrophobicContact CE-CD1 4.13Å; T90-L94 HydrophobicContact CG2-CD1 3.68Å; T90-L94 HydrophobicContact CG2-CG 4Å; T90-L94 WeakPolarHBondContact O-CB 3.46Å; T90-L94 WeakPolarHBondContact O-CG 3.39Å; T90-L94 PolarHBondContact O-N 2.99Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-K99 HydrophobicContact CD2-CD 4.45Å; L94-K99 PolarHBondContact O-NZ 3.3Å; L94-L156 HydrophobicContact CD2-CD2 4.24Å; L94-E161 HydrophobicContact CD2-CG 4.35Å; L94-F164 HydrophobicContact CD1-CB 4.44Å
95N94.5Very high96.1Very high86 Ų8641.9 Ų41.946%0.4622%0.216SC..THydrogen-bonded Turntrans-79.6-10.7176-77.2-76000113.1M91 A92 I93 F109M91-N95 WeakPolarHBondContact O-CB 3.35Å; M91-N95 PolarHBondContact O-N 3.08Å; M91-N95 VanDerWaalsContact O-N 3.17Å; M91-N95 PolarHBondContact O-ND2 2.78Å; A92-N95 PolarHBondContact O-N 3.42Å; I93-N95 VanDerWaalsContact C-N 3.28Å; I93-N95 PolarHBondContact O-N 3.45Å; N95-F109 HydrophobicContact CB-CE2 3.77Å; N95-F109 HydrophobicContact CB-CZ 4.12Å; N95-F109 WeakPolarHBondContact ND2-CZ 3.04Å
96S95.6Very high96.2Very high11 Ų1138.8 Ų38.88%0.07720%0.204CC..SBendtrans-79.8139173.572.70000110.5A92 I93 L94 E98 K99 K100A92-S96 PolarHBondContact O-N 3.27Å; I93-S96 WeakPolarHBondContact O-CB 3.26Å; I93-S96 PolarHBondContact O-N 3.07Å; I93-S96 PolarHBondContact O-OG 2.98Å; L94-S96 VanDerWaalsContact C-N 3.31Å; S96-E98 PolarHBondContact O-N 2.93Å; S96-K99 PolarHBondContact O-N 2.97Å; S96-K99 WeakPolarHBondContact OG-CA 3.36Å; S96-K99 PolarHBondContact OG-N 3.46Å; S96-K100 PolarHBondContact OG-N 3.03Å; S96-K100 VanDerWaalsContact OG-N 3.14Å; S96-K100 PolarHBondContact OG-O 3.19Å
97P96.3Very high96.3Very high133 Ų13337 Ų3786%0.86419%0.194SC*.THydrogen-bonded Turntrans-63.6-32.8-179.124.5-33.5000112.1K99P97-K99 VanDerWaalsContact C-N 3.34Å
98E95.7Very high96.4Very high123 Ų12341.3 Ų41.358%0.57521%0.214SC*.THydrogen-bonded Turntrans-88.92.4-178.8-57.8-173.3160.300113.7S96 K100S96-E98 PolarHBondContact O-N 2.93Å; E98-K100 HydrophobicContact CB-CD 4.37Å; E98-K100 HydrophobicContact CB-CG 3.85Å; E98-K100 PolarHBondContact O-N 3.3Å; E98-K100 WeakPolarHBondContact OE2-CE 3.29Å; E98-K100 IonicContact OE2-NZ 3.72Å
99K95.8Very high96.5Very high95 Ų9543.2 Ų43.241%0.41322%0.223SC..SBendtrans50.928-174-56.4-65.7-176.5173.30113.7I93 L94 S96 P97I93-K99 WeakPolarHBondContact CG2-O 3.34Å; L94-K99 HydrophobicContact CD2-CD 4.45Å; L94-K99 PolarHBondContact O-NZ 3.3Å; S96-K99 PolarHBondContact O-N 2.97Å; S96-K99 WeakPolarHBondContact OG-CA 3.36Å; S96-K99 PolarHBondContact OG-N 3.46Å; P97-K99 VanDerWaalsContact C-N 3.34Å
100K96.5Very high96.5Very high69 Ų6943.2 Ų43.230%0.322%0.223SC..EExtended strand (participates in β ladder)trans-145.5138.8178.775.2-171.1171.9-173.40110.2S96 E98 Y153 W154 T155S96-K100 PolarHBondContact OG-N 3.03Å; S96-K100 VanDerWaalsContact OG-N 3.14Å; S96-K100 PolarHBondContact OG-O 3.19Å; E98-K100 HydrophobicContact CB-CD 4.37Å; E98-K100 HydrophobicContact CB-CG 3.85Å; E98-K100 PolarHBondContact O-N 3.3Å; E98-K100 WeakPolarHBondContact OE2-CE 3.29Å; E98-K100 IonicContact OE2-NZ 3.72Å; K100-Y153 HydrophobicContact CD-CD1 4.37Å; K100-Y153 HydrophobicContact CD-CD2 4.44Å; K100-Y153 HydrophobicContact CD-CG 4.17Å; K100-Y153 HydrophobicContact CG-CD1 4.08Å; K100-Y153 HydrophobicContact CG-CG 4.3Å; K100-W154 WeakPolarHBondContact CA-O 3.45Å; K100-T155 HydrophobicContact CB-CG2 3.41Å; K100-T155 VanDerWaalsContact CB-CG2 3.41Å
101L97.6Very high96.5Very high25 Ų2545 Ų4513%0.13123%0.232CC..EExtended strand (participates in β ladder)trans-140.2156.2178.2-75179.8000111.9A92 H105 I106 W154A92-L101 VanDerWaalsContact C-CD1 3.46Å; A92-L101 HydrophobicContact CB-CD1 3.88Å; A92-L101 WeakPolarHBondContact O-CD1 3.46Å; L101-H105 HydrophobicContact CB-CB 4.43Å; L101-H105 HydrophobicContact CD2-CB 3.92Å; L101-I106 HydrophobicContact CB-CD1 4.41Å; L101-I106 HydrophobicContact CB-CG1 3.86Å; L101-I106 HydrophobicContact CD1-CG1 4.28Å; L101-W154 PolarHBondContact N-O 3.37Å; L101-W154 PolarHBondContact O-N 3.12Å
102T97.6Very high96.6Very high8 Ų850 Ų505%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-84.5161171.368.60000110.4S104 H105 I106 Y153T102-S104 PolarHBondContact O-N 3.24Å; T102-H105 PolarHBondContact O-N 3.11Å; T102-H105 PolarHBondContact OG1-N 3.31Å; T102-H105 PolarHBondContact OG1-ND1 2.85Å; T102-I106 WeakPolarHBondContact O-CG1 3.41Å; T102-I106 PolarHBondContact O-N 2.57Å; T102-Y153 HydrophobicContact CG2-CD1 3.8Å; T102-Y153 HydrophobicContact CG2-CE1 3.67Å
103L97.4Very high96.5Very high43 Ų4354.7 Ų54.723%0.22528%0.276CS..Hα-helixtrans-53.3-41.3174.9175.466.4000112.3I106 C107 I128 R129 L132L103-I106 PolarHBondContact O-N 2.9Å; L103-C107 PolarHBondContact O-N 2.96Å; L103-C107 VanDerWaalsContact O-N 3.14Å; L103-C107 PolarHBondContact O-SG 3.13Å; L103-I128 HydrophobicContact CD1-CG2 3.76Å; L103-R129 HydrophobicContact CD1-CG 3.88Å; L103-R129 HydrophobicContact CD2-CG 3.58Å; L103-R129 HydrophobicContact CG-CG 4.4Å; L103-L132 HydrophobicContact CD1-CD1 3.75Å
104S97.2Very high96.4Very high47 Ų4756.1 Ų56.133%0.32928%0.282SS..Hα-helixtrans-61.6-49.2179.2-54.30000111.3T102 I106 C107 E108T102-S104 PolarHBondContact O-N 3.24Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 3.29Å; S104-C107 WeakPolarHBondContact O-CB 3.36Å; S104-C107 PolarHBondContact O-N 2.75Å; S104-E108 WeakPolarHBondContact O-CG 3.43Å; S104-E108 PolarHBondContact O-N 3.42Å
105H97.7Very high96.3Very high101 Ų10157.7 Ų57.747%0.46829%0.294SS..Hα-helixtrans-65.7-34.9-179.2-73.764000112.3L101 T102 C107 E108 F109L101-H105 HydrophobicContact CB-CB 4.43Å; L101-H105 HydrophobicContact CD2-CB 3.92Å; T102-H105 PolarHBondContact O-N 3.11Å; T102-H105 PolarHBondContact OG1-N 3.31Å; T102-H105 PolarHBondContact OG1-ND1 2.85Å; H105-C107 VanDerWaalsContact C-N 3.29Å; H105-C107 PolarHBondContact O-N 2.97Å; H105-E108 PolarHBondContact O-N 3.38Å; H105-F109 WeakPolarHBondContact O-CB 3.3Å; H105-F109 PolarHBondContact O-N 2.89Å
106I98Very high96.4Very high0 Ų055.6 Ų55.60%028%0.28CS..Hα-helixtrans-60.6-42.5172.4-66.7165.1000110.2I89 A92 L101 T102 L103 S104 I110 I128 L132 W154I89-I106 HydrophobicContact CG1-CG2 4.12Å; I89-I106 HydrophobicContact CG2-CD1 4.31Å; A92-I106 HydrophobicContact CB-CG1 4.43Å; A92-I106 HydrophobicContact CB-CG2 4.43Å; L101-I106 HydrophobicContact CB-CD1 4.41Å; L101-I106 HydrophobicContact CB-CG1 3.86Å; L101-I106 HydrophobicContact CD1-CG1 4.28Å; T102-I106 WeakPolarHBondContact O-CG1 3.41Å; T102-I106 PolarHBondContact O-N 2.57Å; L103-I106 PolarHBondContact O-N 2.9Å; S104-I106 VanDerWaalsContact C-N 3.33Å; S104-I106 PolarHBondContact O-N 3.29Å; I106-I110 HydrophobicContact CG2-CD1 3.96Å; I106-I110 VanDerWaalsContact O-CG1 3.3Å; I106-I110 WeakPolarHBondContact O-CG1 3.48Å; I106-I110 PolarHBondContact O-N 3.49Å; I106-I110 VanDerWaalsContact O-N 3.16Å; I106-I128 HydrophobicContact CG2-CG2 4.07Å; I106-L132 HydrophobicContact CD1-CD1 4.33Å; I106-L132 HydrophobicContact CD1-CD2 4.22Å; I106-W154 HydrophobicContact CD1-CB 4.28Å
107C97.5Very high96.3Very high4 Ų455.3 Ų55.33%0.02728%0.277CS..Hα-helixtrans-66.6-45179.5-61.80000111.6L103 S104 H105 I110 M111 F121 W124L103-C107 PolarHBondContact O-N 2.96Å; L103-C107 VanDerWaalsContact O-N 3.14Å; L103-C107 PolarHBondContact O-SG 3.13Å; S104-C107 WeakPolarHBondContact O-CB 3.36Å; S104-C107 PolarHBondContact O-N 2.75Å; H105-C107 VanDerWaalsContact C-N 3.29Å; H105-C107 PolarHBondContact O-N 2.97Å; C107-I110 PolarHBondContact O-N 3.2Å; C107-M111 WeakPolarHBondContact O-CG 3.27Å; C107-M111 PolarHBondContact O-N 3.3Å; C107-F121 HydrophobicContact CB-CE2 4.47Å; C107-W124 HydrophobicContact CB-CH2 3.92Å
108E97.4Very high96.3Very high92 Ų9254.7 Ų54.743%0.4326%0.257SS..Hα-helixtrans-60.2-45.5176.8-70.9161.1-153.100111.7S104 H105 I110 M111 N112S104-E108 WeakPolarHBondContact O-CG 3.43Å; S104-E108 PolarHBondContact O-N 3.42Å; H105-E108 PolarHBondContact O-N 3.38Å; E108-I110 VanDerWaalsContact C-N 3.34Å; E108-I110 PolarHBondContact O-N 3.03Å; E108-M111 HydrophobicContact CG-CE 4.44Å; E108-M111 PolarHBondContact O-N 3.49Å; E108-N112 WeakPolarHBondContact O-CB 3.49Å; E108-N112 PolarHBondContact O-N 3.28Å; E108-N112 PolarHBondContact O-ND2 3.38Å
109F97.5Very high96Very high40 Ų4055.1 Ų55.118%0.17526%0.259CS..Hα-helixtrans-56.9-46.5176.2178.2-88.9000112.2M91 A92 N95 H105 N112 R113M91-F109 HydrophobicContact CB-CE1 4.15Å; M91-F109 HydrophobicContact CB-CZ 4.47Å; A92-F109 VanDerWaalsContact CA-CD1 3.49Å; A92-F109 VanDerWaalsContact CA-CE1 3.46Å; A92-F109 HydrophobicContact CB-CB 4.05Å; A92-F109 HydrophobicContact CB-CD1 3.37Å; A92-F109 HydrophobicContact CB-CD2 4.46Å; A92-F109 HydrophobicContact CB-CE1 3.86Å; A92-F109 HydrophobicContact CB-CG 3.71Å; N95-F109 HydrophobicContact CB-CE2 3.77Å; N95-F109 HydrophobicContact CB-CZ 4.12Å; N95-F109 WeakPolarHBondContact ND2-CZ 3.04Å; H105-F109 WeakPolarHBondContact O-CB 3.3Å; H105-F109 PolarHBondContact O-N 2.89Å; F109-N112 PolarHBondContact O-N 2.78Å; F109-R113 WeakPolarHBondContact O-CB 3.48Å; F109-R113 PolarHBondContact O-N 3.5Å
110I97.1Very high95.7Very high0 Ų055.3 Ų55.30%026%0.26CS..Hα-helixtrans-65.5-43.7-179.6-67.6168.4000110.7L88 I106 C107 E108 N112 F114 Y117 W124 I128L88-I110 HydrophobicContact CB-CD1 3.88Å; L88-I110 HydrophobicContact CB-CG1 4.16Å; L88-I110 HydrophobicContact CD1-CG2 4.43Å; I106-I110 HydrophobicContact CG2-CD1 3.96Å; I106-I110 VanDerWaalsContact O-CG1 3.3Å; I106-I110 WeakPolarHBondContact O-CG1 3.48Å; I106-I110 PolarHBondContact O-N 3.49Å; I106-I110 VanDerWaalsContact O-N 3.16Å; C107-I110 PolarHBondContact O-N 3.2Å; E108-I110 VanDerWaalsContact C-N 3.34Å; E108-I110 PolarHBondContact O-N 3.03Å; I110-N112 VanDerWaalsContact C-N 3.34Å; I110-N112 PolarHBondContact O-N 3Å; I110-F114 WeakPolarHBondContact O-CA 3.45Å; I110-F114 WeakPolarHBondContact O-CB 3.43Å; I110-F114 PolarHBondContact O-N 3.41Å; I110-Y117 HydrophobicContact CG2-CD2 3.52Å; I110-Y117 HydrophobicContact CG2-CE2 4.13Å; I110-Y117 HydrophobicContact CG2-CG 3.86Å; I110-W124 HydrophobicContact CB-CH2 3.95Å; I110-W124 HydrophobicContact CB-CZ3 4.16Å; I110-W124 HydrophobicContact CD1-CH2 4.45Å; I110-W124 HydrophobicContact CD1-CZ3 3.88Å; I110-W124 HydrophobicContact CG2-CH2 3.92Å; I110-W124 HydrophobicContact CG2-CZ3 3.96Å; I110-I128 HydrophobicContact CD1-CD1 3.82Å
111M95.6Very high95.4Very high38 Ų3856.3 Ų56.319%0.18726%0.264CS..Hα-helixtrans-64.1-39.3177.7-73.1-173-63.100112.2C107 E108 R118 F121 W124C107-M111 WeakPolarHBondContact O-CG 3.27Å; C107-M111 PolarHBondContact O-N 3.3Å; E108-M111 HydrophobicContact CG-CE 4.44Å; E108-M111 PolarHBondContact O-N 3.49Å; M111-R118 HydrophobicContact CB-CG 4Å; M111-R118 HydrophobicContact CG-CG 4.34Å; M111-R118 PolarHBondContact O-NE 3.16Å; M111-R118 PolarHBondContact O-NH2 3.02Å; M111-F121 HydrophobicContact CE-CD2 4.49Å; M111-F121 HydrophobicContact SD-CB 4.25Å; M111-F121 HydrophobicContact SD-CD2 3.88Å; M111-F121 HydrophobicContact SD-CE2 4.49Å; M111-F121 HydrophobicContact SD-CG 4.09Å; M111-W124 HydrophobicContact CG-CH2 4.21Å; M111-W124 HydrophobicContact CG-CZ2 3.63Å; M111-W124 HydrophobicContact SD-CZ2 4.13Å
112N95.9Very high95.3Very high116 Ų11658.9 Ų58.962%0.6228%0.283SS*.Hα-helixtrans-69-45.8-179.5-70.8-8.7000111.1E108 F109 I110 R118E108-N112 WeakPolarHBondContact O-CB 3.49Å; E108-N112 PolarHBondContact O-N 3.28Å; E108-N112 PolarHBondContact O-ND2 3.38Å; F109-N112 PolarHBondContact O-N 2.78Å; I110-N112 VanDerWaalsContact C-N 3.34Å; I110-N112 PolarHBondContact O-N 3Å; N112-R118 PolarHBondContact O-NH2 3.33Å
113R94.8Very high95.1Very high100 Ų10062.3 Ų62.338%0.37731%0.312SS..Hα-helixtrans-76.3-36.1-178-172.8171.9-72.2-130.81113.7F109F109-R113 WeakPolarHBondContact O-CB 3.48Å; F109-R113 PolarHBondContact O-N 3.5Å
114F94.2Very high95Very high31 Ų3160.9 Ų60.914%0.13630%0.304CS..  trans-126.492-175-59-68.5000110.5P81 Y83 L88 M91 I110 Y116 Y117P81-F114 HydrophobicContact CB-CD1 3.96Å; P81-F114 HydrophobicContact CB-CE1 4.02Å; P81-F114 HydrophobicContact CG-CB 3.96Å; P81-F114 HydrophobicContact CG-CD1 3.34Å; P81-F114 HydrophobicContact CG-CE1 3.94Å; P81-F114 HydrophobicContact CG-CG 3.72Å; Y83-F114 HydrophobicContact CD2-CE1 4.13Å; Y83-F114 AromaticContact CD2-CZ 3.78Å; Y83-F114 HydrophobicContact CD2-CZ 3.78Å; Y83-F114 HydrophobicContact CE2-CE1 4.03Å; Y83-F114 AromaticContact CE2-CZ 3.83Å; Y83-F114 HydrophobicContact CE2-CZ 3.83Å; L88-F114 HydrophobicContact CD2-CD2 3.64Å; L88-F114 HydrophobicContact CD2-CE2 3.33Å; L88-F114 HydrophobicContact CD2-CZ 4.12Å; M91-F114 HydrophobicContact CE-CE2 4.11Å; M91-F114 HydrophobicContact CE-CZ 4.13Å; I110-F114 WeakPolarHBondContact O-CA 3.45Å; I110-F114 WeakPolarHBondContact O-CB 3.43Å; I110-F114 PolarHBondContact O-N 3.41Å; F114-Y116 PolarHBondContact O-N 3.23Å; F114-Y117 HydrophobicContact CB-CD2 3.77Å; F114-Y117 HydrophobicContact CB-CE2 4.13Å; F114-Y117 PolarHBondContact O-N 3.45Å; F114-Y117 VanDerWaalsContact O-N 3.07Å
115P93.5Very high95Very high50 Ų5060.7 Ų60.733%0.32530%0.298SS..G310 helixtrans-54.1-25.7-176.8-29.236000115Y117 R118P115-Y117 PolarHBondContact O-N 3Å; P115-Y117 VanDerWaalsContact O-N 3.08Å; P115-R118 WeakPolarHBondContact O-CB 3.37Å; P115-R118 PolarHBondContact O-N 3.14Å
116Y94.8Very high95Very high42 Ų4260.3 Ų60.317%0.16530%0.299CS..G310 helixtrans-48.4-34.7173.7174.9-102.6000114.3S78 K80 F114 K120S78-Y116 WeakPolarHBondContact O-CD2 3.23Å; S78-Y116 WeakPolarHBondContact OG-CA 3.31Å; K80-Y116 HydrophobicContact CB-CD1 4.22Å; K80-Y116 HydrophobicContact CB-CD2 4.41Å; K80-Y116 HydrophobicContact CB-CE1 3.79Å; K80-Y116 HydrophobicContact CB-CE2 3.95Å; K80-Y116 HydrophobicContact CB-CG 4.5Å; K80-Y116 HydrophobicContact CD-CE1 4.13Å; K80-Y116 HydrophobicContact CG-CD1 4.2Å; K80-Y116 HydrophobicContact CG-CE1 3.65Å; F114-Y116 PolarHBondContact O-N 3.23Å; Y116-K120 HydrophobicContact CE1-CD 4.46Å; Y116-K120 PolarHBondContact OH-NZ 2.87Å
117Y95.6Very high94.9Very high4 Ų461 Ų612%0.01630%0.304CS..G310 helixtrans-85.6-9.9-176.8-66.7-73.2000113.6P81 Y85 L88 I110 F114 P115 F121 W124P81-Y117 HydrophobicContact CG-CE2 4.17Å; Y85-Y117 HydrophobicContact CE1-CE1 4.24Å; L88-Y117 HydrophobicContact CD1-CE2 3.88Å; I110-Y117 HydrophobicContact CG2-CD2 3.52Å; I110-Y117 HydrophobicContact CG2-CE2 4.13Å; I110-Y117 HydrophobicContact CG2-CG 3.86Å; F114-Y117 HydrophobicContact CB-CD2 3.77Å; F114-Y117 HydrophobicContact CB-CE2 4.13Å; F114-Y117 PolarHBondContact O-N 3.45Å; F114-Y117 VanDerWaalsContact O-N 3.07Å; P115-Y117 PolarHBondContact O-N 3Å; P115-Y117 VanDerWaalsContact O-N 3.08Å; Y117-F121 PolarHBondContact O-N 3.04Å; Y117-W124 HydrophobicContact CD1-CB 4.44Å; Y117-W124 HydrophobicContact CD1-CD2 4.09Å; Y117-W124 AromaticContact CD1-CG 3.99Å; Y117-W124 HydrophobicContact CD1-CG 3.99Å; Y117-W124 PolarHBondContact O-NE1 3.36Å
118R94.7Very high95Very high120 Ų12060.9 Ų60.945%0.45330%0.303SS..THydrogen-bonded Turntrans-66.4-48.2179.6-64-179.3-168.2174.54.3111.5M111 N112 P115 K120 F121M111-R118 HydrophobicContact CB-CG 4Å; M111-R118 HydrophobicContact CG-CG 4.34Å; M111-R118 PolarHBondContact O-NE 3.16Å; M111-R118 PolarHBondContact O-NH2 3.02Å; N112-R118 PolarHBondContact O-NH2 3.33Å; P115-R118 WeakPolarHBondContact O-CB 3.37Å; P115-R118 PolarHBondContact O-N 3.14Å; R118-K120 PolarHBondContact O-N 3.14Å; R118-F121 PolarHBondContact O-N 3.45Å
119E90.5Very high95Very high132 Ų13261.3 Ų61.362%0.61730%0.301SS*.THydrogen-bonded Turntrans-67.3-24.2-176.7-64.4174.3-17100113.4
120K89.4Confident95Very high99 Ų9963.3 Ų63.343%0.4331%0.311SS..THydrogen-bonded Turntrans-100.77.4-175.6-58-171.4-178-168.10113.2Y116 R118 A123 W124Y116-K120 HydrophobicContact CE1-CD 4.46Å; Y116-K120 PolarHBondContact OH-NZ 2.87Å; R118-K120 PolarHBondContact O-N 3.14Å; K120-A123 WeakPolarHBondContact O-CB 3.46Å; K120-A123 PolarHBondContact O-N 3.05Å; K120-W124 VanDerWaalsContact O-CD1 3.23Å
121F90.1Very high95Very high90 Ų9064 Ų6440%0.39531%0.314SS..THydrogen-bonded Turntrans-73.3135.9175.7-171.1-94.1000109.7C107 M111 Y117 R118 W124 Q125C107-F121 HydrophobicContact CB-CE2 4.47Å; M111-F121 HydrophobicContact CE-CD2 4.49Å; M111-F121 HydrophobicContact SD-CB 4.25Å; M111-F121 HydrophobicContact SD-CD2 3.88Å; M111-F121 HydrophobicContact SD-CE2 4.49Å; M111-F121 HydrophobicContact SD-CG 4.09Å; Y117-F121 PolarHBondContact O-N 3.04Å; R118-F121 PolarHBondContact O-N 3.45Å; F121-W124 AromaticContact CD2-CE2 3.91Å; F121-W124 AromaticContact CD2-CZ2 3.74Å; F121-W124 HydrophobicContact CD2-CZ2 3.74Å; F121-W124 AromaticContact CD2-NE1 3.91Å; F121-W124 HydrophobicContact CE2-CZ2 4.41Å; F121-Q125 HydrophobicContact CE2-CB 4.15Å; F121-Q125 HydrophobicContact CE2-CG 4.15Å
122P94.7Very high95.1Very high79 Ų7962.4 Ų62.451%0.51331%0.306SS..THydrogen-bonded Turncis-97.211.26.537.5-36.2000115.2W124 Q125P122-W124 VanDerWaalsContact C-N 3.35Å; P122-W124 PolarHBondContact O-N 3.31Å; P122-Q125 HydrophobicContact CB-CB 4.39Å; P122-Q125 WeakPolarHBondContact O-CB 3.33Å; P122-Q125 PolarHBondContact O-N 3.05Å
123A94.6Very high95.1Very high81 Ų8161.4 Ų61.467%0.66931%0.308SS*.Hα-helixtrans-56.8-44-171.400000113.2K120 Q125K120-A123 WeakPolarHBondContact O-CB 3.46Å; K120-A123 PolarHBondContact O-N 3.05Å; A123-Q125 VanDerWaalsContact C-N 3.3Å; A123-Q125 PolarHBondContact O-N 2.99Å
124W95.7Very high95Very high12 Ų1260.6 Ų60.65%0.04531%0.311CS..Hα-helixtrans-76.3-14.6177.165.1-89.7000113.2C107 I110 M111 Y117 K120 F121 P122 N126 S127 I128C107-W124 HydrophobicContact CB-CH2 3.92Å; I110-W124 HydrophobicContact CB-CH2 3.95Å; I110-W124 HydrophobicContact CB-CZ3 4.16Å; I110-W124 HydrophobicContact CD1-CH2 4.45Å; I110-W124 HydrophobicContact CD1-CZ3 3.88Å; I110-W124 HydrophobicContact CG2-CH2 3.92Å; I110-W124 HydrophobicContact CG2-CZ3 3.96Å; M111-W124 HydrophobicContact CG-CH2 4.21Å; M111-W124 HydrophobicContact CG-CZ2 3.63Å; M111-W124 HydrophobicContact SD-CZ2 4.13Å; Y117-W124 HydrophobicContact CD1-CB 4.44Å; Y117-W124 HydrophobicContact CD1-CD2 4.09Å; Y117-W124 AromaticContact CD1-CG 3.99Å; Y117-W124 HydrophobicContact CD1-CG 3.99Å; Y117-W124 PolarHBondContact O-NE1 3.36Å; K120-W124 VanDerWaalsContact O-CD1 3.23Å; F121-W124 AromaticContact CD2-CE2 3.91Å; F121-W124 AromaticContact CD2-CZ2 3.74Å; F121-W124 HydrophobicContact CD2-CZ2 3.74Å; F121-W124 AromaticContact CD2-NE1 3.91Å; F121-W124 HydrophobicContact CE2-CZ2 4.41Å; P122-W124 VanDerWaalsContact C-N 3.35Å; P122-W124 PolarHBondContact O-N 3.31Å; W124-N126 PolarHBondContact O-N 3.36Å; W124-S127 WeakPolarHBondContact O-CA 3.24Å; W124-S127 WeakPolarHBondContact O-CB 3.38Å; W124-S127 PolarHBondContact O-N 3.43Å; W124-S127 PolarHBondContact O-OG 3.45Å; W124-I128 HydrophobicContact CE3-CD1 3.92Å; W124-I128 HydrophobicContact CE3-CG1 3.43Å; W124-I128 VanDerWaalsContact CE3-CG1 3.43Å; W124-I128 HydrophobicContact CZ3-CD1 3.9Å; W124-I128 HydrophobicContact CZ3-CG1 3.43Å; W124-I128 VanDerWaalsContact CZ3-CG1 3.43Å; W124-I128 PolarHBondContact O-N 2.99Å; W124-I128 VanDerWaalsContact O-N 3.12Å
125Q96.8Very high95Very high43 Ų4359.8 Ų59.820%0.20131%0.308CS..Hα-helixtrans-62.3-35.8178.9-163.5-16724.500111.3F121 P122 A123 S127 I128 R129F121-Q125 HydrophobicContact CE2-CB 4.15Å; F121-Q125 HydrophobicContact CE2-CG 4.15Å; P122-Q125 HydrophobicContact CB-CB 4.39Å; P122-Q125 WeakPolarHBondContact O-CB 3.33Å; P122-Q125 PolarHBondContact O-N 3.05Å; A123-Q125 VanDerWaalsContact C-N 3.3Å; A123-Q125 PolarHBondContact O-N 2.99Å; Q125-S127 PolarHBondContact O-N 3.14Å; Q125-I128 WeakPolarHBondContact O-CB 3.37Å; Q125-I128 PolarHBondContact O-N 3.36Å; Q125-R129 VanDerWaalsContact CD-NH1 3.29Å; Q125-R129 WeakPolarHBondContact O-CG 3.31Å; Q125-R129 PolarHBondContact O-N 3.49Å
126N96.5Very high95Very high94 Ų9460 Ų6050%0.50331%0.306SS..Hα-helixtrans-61.2-36.7172.8-165.238.4000111.5W124 I128 R129 H130W124-N126 PolarHBondContact O-N 3.36Å; N126-I128 VanDerWaalsContact C-N 3.32Å; N126-I128 PolarHBondContact O-N 3.48Å; N126-R129 PolarHBondContact O-N 3.24Å; N126-R129 PolarHBondContact OD1-NH2 3.03Å; N126-R129 VanDerWaalsContact OD1-NH2 3.11Å; N126-H130 PolarHBondContact O-N 3.45Å
127S97.3Very high94.9Very high15 Ų1558.2 Ų58.211%0.10530%0.3CS..Hα-helixtrans-65-36.3176.376.50000113.4Y85 W124 Q125 H130 N131Y85-S127 WeakPolarHBondContact CE1-OG 3.47Å; Y85-S127 WeakPolarHBondContact CE2-OG 3.42Å; Y85-S127 PolarHBondContact OH-OG 3.25Å; W124-S127 WeakPolarHBondContact O-CA 3.24Å; W124-S127 WeakPolarHBondContact O-CB 3.38Å; W124-S127 PolarHBondContact O-N 3.43Å; W124-S127 PolarHBondContact O-OG 3.45Å; Q125-S127 PolarHBondContact O-N 3.14Å; S127-H130 WeakPolarHBondContact CA-CD2 3.46Å; S127-H130 PolarHBondContact O-CD2 3.43Å; S127-H130 VanDerWaalsContact O-CD2 3.24Å; S127-H130 VanDerWaalsContact O-CG 3.32Å; S127-H130 PolarHBondContact O-NE2 2.81Å; S127-N131 PolarHBondContact O-N 2.93Å; S127-N131 VanDerWaalsContact O-N 3.11Å; S127-N131 PolarHBondContact O-ND2 3.25Å
128I97.7Very high95Very high0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-65.1-48.9172.6-59.4-57.3000111.1Y85 I89 L103 I106 I110 W124 Q125 N126 H130 N131 L132Y85-I128 HydrophobicContact CD1-CD1 3.75Å; Y85-I128 HydrophobicContact CE1-CD1 4.46Å; Y85-I128 HydrophobicContact CG-CD1 4.38Å; I89-I128 HydrophobicContact CD1-CD1 4.42Å; I89-I128 HydrophobicContact CD1-CG2 4.24Å; I89-I128 HydrophobicContact CG1-CD1 4.31Å; I89-I128 HydrophobicContact CG1-CG2 4.33Å; L103-I128 HydrophobicContact CD1-CG2 3.76Å; I106-I128 HydrophobicContact CG2-CG2 4.07Å; I110-I128 HydrophobicContact CD1-CD1 3.82Å; W124-I128 HydrophobicContact CE3-CD1 3.92Å; W124-I128 HydrophobicContact CE3-CG1 3.43Å; W124-I128 VanDerWaalsContact CE3-CG1 3.43Å; W124-I128 HydrophobicContact CZ3-CD1 3.9Å; W124-I128 HydrophobicContact CZ3-CG1 3.43Å; W124-I128 VanDerWaalsContact CZ3-CG1 3.43Å; W124-I128 PolarHBondContact O-N 2.99Å; W124-I128 VanDerWaalsContact O-N 3.12Å; Q125-I128 WeakPolarHBondContact O-CB 3.37Å; Q125-I128 PolarHBondContact O-N 3.36Å; N126-I128 VanDerWaalsContact C-N 3.32Å; N126-I128 PolarHBondContact O-N 3.48Å; I128-H130 VanDerWaalsContact C-N 3.32Å; I128-H130 PolarHBondContact O-N 3.03Å; I128-N131 PolarHBondContact O-N 2.69Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 HydrophobicContact CG2-CG 4.41Å; I128-L132 WeakPolarHBondContact O-CG 3.33Å; I128-L132 PolarHBondContact O-N 3.48Å
129R97.9Very high95.1Very high102 Ų10254.8 Ų54.839%0.38529%0.292SS..Hα-helixtrans-57.1-45.2179.6-69.4-169.8-59.8-95.92.8111.8L103 Q125 N126 N131 L132 S133L103-R129 HydrophobicContact CD1-CG 3.88Å; L103-R129 HydrophobicContact CD2-CG 3.58Å; L103-R129 HydrophobicContact CG-CG 4.4Å; Q125-R129 VanDerWaalsContact CD-NH1 3.29Å; Q125-R129 WeakPolarHBondContact O-CG 3.31Å; Q125-R129 PolarHBondContact O-N 3.49Å; N126-R129 PolarHBondContact O-N 3.24Å; N126-R129 PolarHBondContact OD1-NH2 3.03Å; N126-R129 VanDerWaalsContact OD1-NH2 3.11Å; R129-N131 VanDerWaalsContact C-N 3.31Å; R129-N131 PolarHBondContact O-N 2.86Å; R129-L132 PolarHBondContact O-N 3.38Å; R129-S133 PolarHBondContact O-N 3Å; R129-S133 PolarHBondContact O-OG 3.1Å
130H97.2Very high95.4Very high82 Ų8254.4 Ų54.438%0.3829%0.289SS..Hα-helixtrans-65.7-34.6177.587.759.5000112.1N126 S127 I128 S133 L134N126-H130 PolarHBondContact O-N 3.45Å; S127-H130 WeakPolarHBondContact CA-CD2 3.46Å; S127-H130 PolarHBondContact O-CD2 3.43Å; S127-H130 VanDerWaalsContact O-CD2 3.24Å; S127-H130 VanDerWaalsContact O-CG 3.32Å; S127-H130 PolarHBondContact O-NE2 2.81Å; I128-H130 VanDerWaalsContact C-N 3.32Å; I128-H130 PolarHBondContact O-N 3.03Å; H130-S133 PolarHBondContact O-N 2.98Å; H130-S133 PolarHBondContact O-OG 3.43Å; H130-S133 VanDerWaalsContact O-OG 3.14Å; H130-L134 WeakPolarHBondContact O-CB 3.15Å; H130-L134 PolarHBondContact O-N 3.43Å
131N97.1Very high95.7Very high15 Ų1552 Ų528%0.0828%0.282CS..Hα-helixtrans-70.7-37.3-177.7-88.7-75.1000111.7Y85 I89 S127 I128 R129 S133 L134 N135Y85-N131 VanDerWaalsContact CB-ND2 3.27Å; Y85-N131 WeakPolarHBondContact CB-ND2 3.38Å; Y85-N131 WeakPolarHBondContact CD2-ND2 3.43Å; I89-N131 HydrophobicContact CD1-CB 3.83Å; S127-N131 PolarHBondContact O-N 2.93Å; S127-N131 VanDerWaalsContact O-N 3.11Å; S127-N131 PolarHBondContact O-ND2 3.25Å; I128-N131 PolarHBondContact O-N 2.69Å; R129-N131 VanDerWaalsContact C-N 3.31Å; R129-N131 PolarHBondContact O-N 2.86Å; N131-S133 VanDerWaalsContact C-N 3.33Å; N131-L134 PolarHBondContact O-N 3.34Å; N131-N135 PolarHBondContact O-N 3.18Å; N131-N135 PolarHBondContact O-ND2 2.89Å
132L97.4Very high95.9Very high4 Ų451.9 Ų51.92%0.02129%0.29CS..Hα-helixtrans-62.6-39.4176.3-71.2169.9000111.7I89 L103 I106 I128 R129 F138 W154I89-L132 HydrophobicContact CD1-CD2 4.12Å; I89-L132 HydrophobicContact CD1-CG 4.19Å; I89-L132 HydrophobicContact CG2-CD2 3.76Å; L103-L132 HydrophobicContact CD1-CD1 3.75Å; I106-L132 HydrophobicContact CD1-CD1 4.33Å; I106-L132 HydrophobicContact CD1-CD2 4.22Å; I128-L132 HydrophobicContact CG2-CD1 4.01Å; I128-L132 HydrophobicContact CG2-CG 4.41Å; I128-L132 WeakPolarHBondContact O-CG 3.33Å; I128-L132 PolarHBondContact O-N 3.48Å; R129-L132 PolarHBondContact O-N 3.38Å; L132-F138 HydrophobicContact CD2-CB 4.14Å; L132-F138 HydrophobicContact CD2-CD2 4.18Å; L132-F138 HydrophobicContact CD2-CG 4.02Å; L132-W154 HydrophobicContact CB-CD2 4.13Å; L132-W154 HydrophobicContact CB-CE3 4.05Å; L132-W154 HydrophobicContact CB-CH2 3.87Å; L132-W154 HydrophobicContact CB-CZ2 3.98Å; L132-W154 HydrophobicContact CB-CZ3 3.91Å; L132-W154 HydrophobicContact CD1-CD2 4.16Å; L132-W154 HydrophobicContact CD1-CG 4.22Å; L132-W154 HydrophobicContact CD1-CZ2 4.47Å; L132-W154 HydrophobicContact CD2-CB 4.19Å; L132-W154 HydrophobicContact CD2-CD2 3.91Å; L132-W154 HydrophobicContact CD2-CE3 4.04Å; L132-W154 HydrophobicContact CD2-CG 3.98Å; L132-W154 HydrophobicContact CG-CD2 4.29Å; L132-W154 VanDerWaalsContact O-CZ3 3.31Å; L132-W154 WeakPolarHBondContact O-CZ3 3.41Å
133S96.2Very high95.9Very high94 Ų9450.9 Ų50.966%0.65728%0.277SS*.Hα-helixtrans-83.8-25.517859.80000114.1R129 H130 N131R129-S133 PolarHBondContact O-N 3Å; R129-S133 PolarHBondContact O-OG 3.1Å; H130-S133 PolarHBondContact O-N 2.98Å; H130-S133 PolarHBondContact O-OG 3.43Å; H130-S133 VanDerWaalsContact O-OG 3.14Å; N131-S133 VanDerWaalsContact C-N 3.33Å
134L94.1Very high95.8Very high83 Ų8353.6 Ų53.644%0.43528%0.275SS..Hα-helixtrans-79.8-38.7-175.4-176.4155.4000112.6H130 N131 R175H130-L134 WeakPolarHBondContact O-CB 3.15Å; H130-L134 PolarHBondContact O-N 3.43Å; N131-L134 PolarHBondContact O-N 3.34Å; L134-R175 PolarHBondContact O-NH2 3.31Å
135N93.6Very high95.4Very high14 Ų1459.4 Ų59.48%0.07532%0.315CS..  trans-100.6130-170.3-62.7-76.5000112.1N131 C137 F138N131-N135 PolarHBondContact O-N 3.18Å; N131-N135 PolarHBondContact O-ND2 2.89Å; N135-C137 PolarHBondContact O-N 2.96Å; N135-C137 VanDerWaalsContact O-N 3.08Å; N135-F138 HydrophobicContact CB-CD2 4.22Å; N135-F138 HydrophobicContact CB-CE2 4.45Å; N135-F138 PolarHBondContact O-N 3.49Å; N135-F138 VanDerWaalsContact O-N 3.13Å
136D93.3Very high95.1Very high54 Ų5460.5 Ų60.529%0.28934%0.337SS..THydrogen-bonded Turntrans-64.3-15.8178.9-59.3-20.7000113.7F138 F176 R178D136-F138 PolarHBondContact O-N 3.44Å; D136-F176 HydrophobicContact CB-CD1 4.08Å; D136-F176 HydrophobicContact CB-CE1 4.16Å; D136-R178 HydrophobicContact CB-CG 4.4Å; D136-R178 PolarHBondContact O-NE 2.74Å; D136-R178 VanDerWaalsContact O-NE 3.15Å; D136-R178 PolarHBondContact O-NH2 3.04Å; D136-R178 PolarHBondContact OD2-N 3.08Å
137C93.7Very high94.5Very high6 Ų661.1 Ų61.14%0.04134%0.341CS..THydrogen-bonded Turntrans-59.2-28.6173.8-60.10000112.3N135 L156 D157 F176N135-C137 PolarHBondContact O-N 2.96Å; N135-C137 VanDerWaalsContact O-N 3.08Å; C137-L156 HydrophobicContact CB-CD1 4.31Å; C137-L156 CarbonylContact O-C 3.57Å; C137-L156 WeakPolarHBondContact O-CA 3.27Å; C137-D157 PolarHBondContact O-N 2.99Å; C137-F176 HydrophobicContact CB-CD1 4.35Å; C137-F176 WeakPolarHBondContact SG-CD1 3.19Å
138F96.3Very high94Very high7 Ų767.1 Ų67.13%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-104.8124.6-176.4-55.8-56.5000110I86 I89 I93 L132 N135 D136 W154 T155 L156I86-F138 HydrophobicContact CG2-CE2 4.15Å; I86-F138 HydrophobicContact CG2-CZ 3.92Å; I89-F138 HydrophobicContact CB-CE1 3.99Å; I89-F138 HydrophobicContact CB-CE2 4.25Å; I89-F138 HydrophobicContact CB-CZ 3.65Å; I89-F138 HydrophobicContact CD1-CE2 4Å; I89-F138 HydrophobicContact CD1-CZ 4.27Å; I89-F138 HydrophobicContact CG2-CD1 3.85Å; I89-F138 HydrophobicContact CG2-CE1 3.37Å; I89-F138 HydrophobicContact CG2-CE2 4.08Å; I89-F138 HydrophobicContact CG2-CG 4.4Å; I89-F138 HydrophobicContact CG2-CZ 3.5Å; I93-F138 HydrophobicContact CD1-CD1 4Å; I93-F138 HydrophobicContact CD1-CE1 4.19Å; L132-F138 HydrophobicContact CD2-CB 4.14Å; L132-F138 HydrophobicContact CD2-CD2 4.18Å; L132-F138 HydrophobicContact CD2-CG 4.02Å; N135-F138 HydrophobicContact CB-CD2 4.22Å; N135-F138 HydrophobicContact CB-CE2 4.45Å; N135-F138 PolarHBondContact O-N 3.49Å; N135-F138 VanDerWaalsContact O-N 3.13Å; D136-F138 PolarHBondContact O-N 3.44Å; F138-W154 HydrophobicContact CB-CE3 4.15Å; F138-W154 HydrophobicContact CB-CZ3 4.5Å; F138-T155 WeakPolarHBondContact CA-O 3.38Å; F138-L156 HydrophobicContact CD1-CD1 4.25Å; F138-L156 HydrophobicContact CE1-CD1 4.01Å
139V96.5Very high93.6Very high44 Ų4468.9 Ų68.927%0.26740%0.398SS..EExtended strand (participates in β ladder)trans-108.7131.6-178.5-178.40000108.9W154 T155 D157V139-W154 WeakPolarHBondContact O-CA 3.46Å; V139-T155 PolarHBondContact N-O 2.76Å; V139-T155 PolarHBondContact O-N 2.92Å; V139-T155 PolarHBondContact O-OG1 3.43Å; V139-D157 HydrophobicContact CG2-CB 4.05Å
140K97.3Very high93.3Very high124 Ų12472.6 Ų72.654%0.53942%0.416SS..EExtended strand (participates in β ladder)trans-84.3116.9175.7-173-176.771.5178.10109.1N152 W154K140-N152 HydrophobicContact CD-CB 4.22Å; K140-N152 HydrophobicContact CG-CB 3.68Å; K140-W154 HydrophobicContact CB-CE3 4.16Å; K140-W154 HydrophobicContact CB-CH2 3.95Å; K140-W154 HydrophobicContact CB-CZ2 4.4Å; K140-W154 HydrophobicContact CB-CZ3 3.81Å; K140-W154 HydrophobicContact CD-CH2 4.44Å; K140-W154 HydrophobicContact CD-CZ2 4.43Å; K140-W154 HydrophobicContact CG-CH2 4.28Å; K140-W154 HydrophobicContact CG-CZ2 4.27Å
141V95.9Very high93.1Very high48 Ų4871 Ų7129%0.29142%0.422SS..EExtended strand (participates in β ladder)trans-106.9118.6179-179.60000109.2Y153 T155V141-Y153 PolarHBondContact N-O 2.74Å; V141-Y153 PolarHBondContact O-N 3.23Å; V141-T155 HydrophobicContact CG2-CG2 3.76Å; V141-T155 WeakPolarHBondContact CG2-OG1 3.38Å
142P95.3Very high93.1Very high88 Ų8873.3 Ų73.357%0.57143%0.434SS*.PPolyproline II helixtrans-57.6153.1173.9-2334000111.9
143R94.2Very high93.1Very high59 Ų5975.8 Ų75.822%0.22344%0.444CS..PPolyproline II helixtrans-78.6150171.3-68-177.6178-100.14110.2G149 K150 G151 Y153R143-G149 PolarHBondContact NE-O 2.88Å; R143-K150 PolarHBondContact NH2-O 2.91Å; R143-G151 VanDerWaalsContact CD-O 3.27Å; R143-G151 WeakPolarHBondContact CD-O 3.18Å; R143-G151 PolarHBondContact NE-O 3.28Å; R143-Y153 HydrophobicContact CG-CD2 4.08Å; R143-Y153 HydrophobicContact CG-CE2 3.94Å; R143-Y153 PolarHBondContact NH1-OH 2.95Å
144E91.3Very high93.2Very high137 Ų13773.3 Ų73.364%0.6442%0.42SS*.PPolyproline II helixtrans-59138.3169.5-64.7-54.9137.300110.6G146 N147E144-G146 PolarHBondContact O-N 3.02Å; E144-N147 PolarHBondContact O-N 3.08Å; E144-N147 VanDerWaalsContact O-N 3.08Å
145P88.5Confident93.3Very high135 Ų13570.7 Ų70.788%0.87741%0.407SS*.THydrogen-bonded Turntrans-63.7-13-174.324.9-33.9000114.2
146G89.3Confident93.4Very high65 Ų6570.7 Ų70.767%0.6741%0.408SS*.THydrogen-bonded Turntrans-84.9-11.2176.100000115.4E144 P148E144-G146 PolarHBondContact O-N 3.02Å; G146-P148 WeakPolarHBondContact O-CD 3.33Å
147N85Confident93.5Very high108 Ų10868.9 Ų68.958%0.57840%0.398SS*.  trans-117.492.4-174.3-72.3-66.3000111.1E144 G149E144-N147 PolarHBondContact O-N 3.08Å; E144-N147 VanDerWaalsContact O-N 3.08Å; N147-G149 PolarHBondContact O-N 3.06Å
148P85.6Confident93.4Very high140 Ų14073.1 Ų73.191%0.90943%0.425SS*.  trans-68.697.4179.128.5-33.7000110G146G146-P148 WeakPolarHBondContact O-CD 3.33Å
149G90.5Very high93Very high38 Ų3875.8 Ų75.839%0.39245%0.448SS..  trans-132.2153.6-177.600000112.8R143 N147 G151R143-G149 PolarHBondContact NE-O 2.88Å; N147-G149 PolarHBondContact O-N 3.06Å; G149-G151 PolarHBondContact O-N 3.4Å
150K91.5Very high92.7Very high180 Ų18073.7 Ų73.778%0.78344%0.436SS*.SBendtrans-70.8126.2179.9-173174.7-177.7174.40111.5R143R143-K150 PolarHBondContact NH2-O 2.91Å
151G93.6Very high92.3Very high48 Ų4870.5 Ų70.550%0.49542%0.423SS..SBendtrans73.3-173.7171.800000114.4R143 G149R143-G151 VanDerWaalsContact CD-O 3.27Å; R143-G151 WeakPolarHBondContact CD-O 3.18Å; R143-G151 PolarHBondContact NE-O 3.28Å; G149-G151 PolarHBondContact O-N 3.4Å
152N96Very high91.8Very high63 Ų6374 Ų7434%0.33744%0.44SS..  trans-103.2162.3179.6-60.5-70.4000110.7K140K140-N152 HydrophobicContact CD-CB 4.22Å; K140-N152 HydrophobicContact CG-CB 3.68Å
153Y97.3Very high91.2Very high57 Ų5772.7 Ų72.722%0.22443%0.427CS..EExtended strand (participates in β ladder)trans-77.8149165.7-69.9-66.3000110K100 T102 V141 R143K100-Y153 HydrophobicContact CD-CD1 4.37Å; K100-Y153 HydrophobicContact CD-CD2 4.44Å; K100-Y153 HydrophobicContact CD-CG 4.17Å; K100-Y153 HydrophobicContact CG-CD1 4.08Å; K100-Y153 HydrophobicContact CG-CG 4.3Å; T102-Y153 HydrophobicContact CG2-CD1 3.8Å; T102-Y153 HydrophobicContact CG2-CE1 3.67Å; V141-Y153 PolarHBondContact N-O 2.74Å; V141-Y153 PolarHBondContact O-N 3.23Å; R143-Y153 HydrophobicContact CG-CD2 4.08Å; R143-Y153 HydrophobicContact CG-CE2 3.94Å; R143-Y153 PolarHBondContact NH1-OH 2.95Å
154W98Very high90.7Very high41 Ų4170.2 Ų70.216%0.15542%0.418CS..EExtended strand (participates in β ladder)trans-120.3126.1172.8-68.294.3000108.4K100 L101 I106 L132 F138 V139 K140K100-W154 WeakPolarHBondContact CA-O 3.45Å; L101-W154 PolarHBondContact N-O 3.37Å; L101-W154 PolarHBondContact O-N 3.12Å; I106-W154 HydrophobicContact CD1-CB 4.28Å; L132-W154 HydrophobicContact CB-CD2 4.13Å; L132-W154 HydrophobicContact CB-CE3 4.05Å; L132-W154 HydrophobicContact CB-CH2 3.87Å; L132-W154 HydrophobicContact CB-CZ2 3.98Å; L132-W154 HydrophobicContact CB-CZ3 3.91Å; L132-W154 HydrophobicContact CD1-CD2 4.16Å; L132-W154 HydrophobicContact CD1-CG 4.22Å; L132-W154 HydrophobicContact CD1-CZ2 4.47Å; L132-W154 HydrophobicContact CD2-CB 4.19Å; L132-W154 HydrophobicContact CD2-CD2 3.91Å; L132-W154 HydrophobicContact CD2-CE3 4.04Å; L132-W154 HydrophobicContact CD2-CG 3.98Å; L132-W154 HydrophobicContact CG-CD2 4.29Å; L132-W154 VanDerWaalsContact O-CZ3 3.31Å; L132-W154 WeakPolarHBondContact O-CZ3 3.41Å; F138-W154 HydrophobicContact CB-CE3 4.15Å; F138-W154 HydrophobicContact CB-CZ3 4.5Å; V139-W154 WeakPolarHBondContact O-CA 3.46Å; K140-W154 HydrophobicContact CB-CE3 4.16Å; K140-W154 HydrophobicContact CB-CH2 3.95Å; K140-W154 HydrophobicContact CB-CZ2 4.4Å; K140-W154 HydrophobicContact CB-CZ3 3.81Å; K140-W154 HydrophobicContact CD-CH2 4.44Å; K140-W154 HydrophobicContact CD-CZ2 4.43Å; K140-W154 HydrophobicContact CG-CH2 4.28Å; K140-W154 HydrophobicContact CG-CZ2 4.27Å
155T97.1Very high89.9Confident28 Ų2866.9 Ų66.917%0.17240%0.404CS..EExtended strand (participates in β ladder)trans-117.3164178.253.80000110.4K100 F138 V139 V141K100-T155 HydrophobicContact CB-CG2 3.41Å; K100-T155 VanDerWaalsContact CB-CG2 3.41Å; F138-T155 WeakPolarHBondContact CA-O 3.38Å; V139-T155 PolarHBondContact N-O 2.76Å; V139-T155 PolarHBondContact O-N 2.92Å; V139-T155 PolarHBondContact O-OG1 3.43Å; V141-T155 HydrophobicContact CG2-CG2 3.76Å; V141-T155 WeakPolarHBondContact CG2-OG1 3.38Å
156L95.4Very high89Confident15 Ų1567.6 Ų67.68%0.07940%0.401CS..EExtended strand (participates in β ladder)trans-85.1138.6167.7-165.365.8000109.1T90 I93 L94 C137 F138 E161 F164T90-L156 HydrophobicContact CG2-CD1 4.34Å; T90-L156 HydrophobicContact CG2-CD2 4Å; I93-L156 HydrophobicContact CG2-CB 4.32Å; L94-L156 HydrophobicContact CD2-CD2 4.24Å; C137-L156 HydrophobicContact CB-CD1 4.31Å; C137-L156 CarbonylContact O-C 3.57Å; C137-L156 WeakPolarHBondContact O-CA 3.27Å; F138-L156 HydrophobicContact CD1-CD1 4.25Å; F138-L156 HydrophobicContact CE1-CD1 4.01Å; L156-E161 HydrophobicContact CD2-CB 3.91Å; L156-E161 HydrophobicContact CD2-CG 3.99Å; L156-F164 HydrophobicContact CD1-CE2 4.43Å; L156-F164 HydrophobicContact CD2-CD2 4.49Å
157D94.6Very high88.1Confident15 Ų1566.4 Ų66.48%0.0839%0.389CS..  trans-67.5125.4170.7-178.3-2.7000108.7C137 V139 A159 S160 E161 F176 R178C137-D157 PolarHBondContact O-N 2.99Å; V139-D157 HydrophobicContact CG2-CB 4.05Å; D157-A159 PolarHBondContact O-N 3.47Å; D157-A159 VanDerWaalsContact O-N 3.12Å; D157-A159 PolarHBondContact OD1-N 3.37Å; D157-S160 WeakPolarHBondContact O-CA 3.33Å; D157-S160 PolarHBondContact O-N 3.42Å; D157-S160 PolarHBondContact O-OG 3.41Å; D157-E161 PolarHBondContact O-N 2.96Å; D157-F176 HydrophobicContact CB-CE1 4.39Å; D157-F176 VanDerWaalsContact OD2-CE1 3.32Å; D157-F176 WeakPolarHBondContact OD2-CE1 3.46Å; D157-F176 WeakPolarHBondContact OD2-CZ 2.95Å; D157-R178 WeakPolarHBondContact OD2-CD 3.38Å; D157-R178 WeakPolarHBondContact OD2-CG 3.08Å; D157-R178 IonicContact OD2-NE 3.04Å; D157-R178 PolarHBondContact OD2-NE 2.87Å
158P92.1Very high87.9Confident96 Ų9664 Ų6462%0.62338%0.38SS*.Hα-helixtrans-54.6-32.6-178.920.9-34.9000112.8S160 E161P158-S160 PolarHBondContact O-N 2.72Å; P158-S160 VanDerWaalsContact O-N 3.15Å; P158-E161 PolarHBondContact O-N 3.5Å
159A89.1Confident87.6Confident62 Ų6258.6 Ų58.651%0.51234%0.343SS..Hα-helixtrans-69.1-10.8177.200000114.1D157 F176D157-A159 PolarHBondContact O-N 3.47Å; D157-A159 VanDerWaalsContact O-N 3.12Å; D157-A159 PolarHBondContact OD1-N 3.37Å; A159-F176 HydrophobicContact CB-CE2 4.23Å; A159-F176 HydrophobicContact CB-CZ 3.97Å
160S88.9Confident87.1Confident0 Ų062.1 Ų62.10%035%0.352CS..Hα-helixtrans-111.6-7.8-18074.80000114D157 P158 M163 F164D157-S160 WeakPolarHBondContact O-CA 3.33Å; D157-S160 PolarHBondContact O-N 3.42Å; D157-S160 PolarHBondContact O-OG 3.41Å; P158-S160 PolarHBondContact O-N 2.72Å; P158-S160 VanDerWaalsContact O-N 3.15Å; S160-M163 WeakPolarHBondContact O-CB 3.32Å; S160-M163 WeakPolarHBondContact O-CG 3.44Å; S160-M163 PolarHBondContact O-N 2.8Å; S160-F164 WeakPolarHBondContact O-CD2 3.21Å
161E88.5Confident86.1Confident57 Ų5764.3 Ų64.327%0.26636%0.355SS..Hα-helixtrans-61.9-49.3-176.8-171159.2-160.100111.9L94 L156 D157 P158 M163 F164 D165L94-E161 HydrophobicContact CD2-CG 4.35Å; L156-E161 HydrophobicContact CD2-CB 3.91Å; L156-E161 HydrophobicContact CD2-CG 3.99Å; D157-E161 PolarHBondContact O-N 2.96Å; P158-E161 PolarHBondContact O-N 3.5Å; E161-M163 PolarHBondContact O-N 3.17Å; E161-F164 PolarHBondContact O-N 3.33Å; E161-D165 PolarHBondContact O-N 3.26Å
162D85.8Confident85.3Confident122 Ų12266.1 Ų66.165%0.65235%0.347SS*.Hα-helixtrans-51.9-26.4176.1-63.4-15.7000113.8F164D162-F164 PolarHBondContact O-N 2.89Å
163M83.4Confident84.4Confident61 Ų6175.6 Ų75.630%0.338%0.378SS..Hα-helixtrans-72.2-12.4-178.6-47-168.5-17300113.4S160 E161 R172 F176S160-M163 WeakPolarHBondContact O-CB 3.32Å; S160-M163 WeakPolarHBondContact O-CG 3.44Å; S160-M163 PolarHBondContact O-N 2.8Å; E161-M163 PolarHBondContact O-N 3.17Å; M163-R172 VanDerWaalsContact CB-CZ 3.48Å; M163-R172 PolarHBondContact O-NH2 3.31Å; M163-R172 PolarHBondContact SD-NH1 3.13Å; M163-F176 HydrophobicContact CE-CB 4.4Å; M163-F176 HydrophobicContact CE-CD2 3.24Å; M163-F176 HydrophobicContact CE-CE2 3.74Å; M163-F176 HydrophobicContact CE-CG 4.12Å; M163-F176 HydrophobicContact SD-CB 4.33Å; M163-F176 HydrophobicContact SD-CD2 4.2Å
164F82.8Confident83.6Confident7 Ų781.3 Ų81.33%0.03140%0.404CS..Hα-helixtrans-120.9-21.1-174.9-59.3-78.9000113.4I86 T90 L94 L156 S160 E161 D162 N166 G167 F169I86-F164 HydrophobicContact CG2-CE1 4.23Å; I86-F164 HydrophobicContact CG2-CZ 3.85Å; T90-F164 HydrophobicContact CG2-CB 3.72Å; T90-F164 HydrophobicContact CG2-CD1 4.05Å; T90-F164 HydrophobicContact CG2-CD2 3.77Å; T90-F164 HydrophobicContact CG2-CE2 4.37Å; T90-F164 HydrophobicContact CG2-CG 3.59Å; L94-F164 HydrophobicContact CD1-CB 4.44Å; L156-F164 HydrophobicContact CD1-CE2 4.43Å; L156-F164 HydrophobicContact CD2-CD2 4.49Å; S160-F164 WeakPolarHBondContact O-CD2 3.21Å; E161-F164 PolarHBondContact O-N 3.33Å; D162-F164 PolarHBondContact O-N 2.89Å; F164-N166 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 3.37Å; F164-G167 PolarHBondContact O-N 2.92Å; F164-G167 VanDerWaalsContact O-N 3.13Å; F164-F169 HydrophobicContact CB-CE1 4.21Å; F164-F169 HydrophobicContact CD1-CD1 4.37Å
165D75.6Confident82.7Confident67 Ų6785.7 Ų85.736%0.35842%0.421SS..Hα-helixtrans-61-35.7-176.3-71.4-12.8000113.6E161 G167E161-D165 PolarHBondContact O-N 3.26Å; D165-G167 PolarHBondContact O-N 2.8Å; D165-G167 VanDerWaalsContact O-N 3.12Å
166N69.6Low82Confident150 Ų15085.8 Ų85.880%0.80242%0.418SS*.THydrogen-bonded Turntrans-8321.6178.1-50.996.6000114.2F164 S168F164-N166 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 3.37Å; N166-S168 PolarHBondContact O-N 2.92Å
167G70.5Confident81.3Confident40 Ų4092.3 Ų92.341%0.41245%0.446SS..SBendtrans78.215.1176.400000114.8F164 D165 F169F164-G167 PolarHBondContact O-N 2.92Å; F164-G167 VanDerWaalsContact O-N 3.13Å; D165-G167 PolarHBondContact O-N 2.8Å; D165-G167 VanDerWaalsContact O-N 3.12Å; G167-F169 PolarHBondContact O-N 3.29Å
168S79.3Confident80.5Confident58 Ų5896.8 Ų96.841%0.40646%0.462SS..  trans-78.665.9176.7-164.60000111.3N166 L170N166-S168 PolarHBondContact O-N 2.92Å; S168-L170 VanDerWaalsContact C-N 3.3Å
169F81Confident79.8Confident26 Ų2696.4 Ų96.411%0.11446%0.462CS..  trans-87.3-2.9174.7-64.7-66.5000112.9M19 Y83 A87 T90 M91 F164 G167M19-F169 HydrophobicContact CE-CE2 4.24Å; M19-F169 HydrophobicContact CE-CZ 3.83Å; Y83-F169 HydrophobicContact CD1-CB 3.72Å; Y83-F169 HydrophobicContact CE1-CB 3.66Å; A87-F169 HydrophobicContact CB-CB 3.97Å; A87-F169 HydrophobicContact CB-CD1 4.12Å; A87-F169 WeakPolarHBondContact CB-O 3.33Å; T90-F169 HydrophobicContact CG2-CE1 4.44Å; M91-F169 HydrophobicContact CG-CD1 3.74Å; M91-F169 HydrophobicContact CG-CE1 3.47Å; M91-F169 VanDerWaalsContact CG-CE1 3.47Å; M91-F169 HydrophobicContact CG-CE2 4.39Å; M91-F169 HydrophobicContact CG-CG 4.32Å; M91-F169 HydrophobicContact CG-CZ 3.84Å; M91-F169 HydrophobicContact SD-CD1 4.34Å; M91-F169 HydrophobicContact SD-CG 4.38Å; F164-F169 HydrophobicContact CB-CE1 4.21Å; F164-F169 HydrophobicContact CD1-CD1 4.37Å; G167-F169 PolarHBondContact O-N 3.29Å
170L78.6Confident78.7Confident111 Ų11197.6 Ų97.658%0.58146%0.463SS*.SBendtrans-73154.7174.8-66.4176.9000111.1S168 R172S168-L170 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 3.13Å
171R71.1Confident77.3Confident227 Ų227103.4 Ų103.486%0.85749%0.49SS*.  trans-57114.4179.4-173.3176.475.6140.5-0.7110.8
172R77.4Confident75.8Confident86 Ų86106.8 Ų106.833%0.32551%0.509SS..  trans-76.9144.2175.5-157.5176.3-60.7129.18.2110.9M163 L170M163-R172 VanDerWaalsContact CB-CZ 3.48Å; M163-R172 PolarHBondContact O-NH2 3.31Å; M163-R172 PolarHBondContact SD-NH1 3.13Å; L170-R172 PolarHBondContact O-N 3.13Å
173R76.1Confident74.5Confident262 Ų262103.8 Ų103.899%0.98950%0.498SS*.SBendtrans-76.7-28.9176.2-68.4-171.9-177.9100.2-2.1113.5
174K80.5Confident72.9Confident176 Ų176106.5 Ų106.577%0.76551%0.51SS*.SBendtrans-108.7131.2-178.1-169.5174.1-178.5179.80110.7
175R80.4Confident71.5Confident134 Ų134112.8 Ų112.851%0.50654%0.537SS..  trans-79.6136.5177.6-175.1175.2174.8-162.3-4110.3L134L134-R175 PolarHBondContact O-NH2 3.31Å
176F80.5Confident70.8Confident29 Ų29115.5 Ų115.513%0.12755%0.551CS.*  trans-69136.4169174.8-110.2000109.9D136 C137 D157 A159 M163 R178D136-F176 HydrophobicContact CB-CD1 4.08Å; D136-F176 HydrophobicContact CB-CE1 4.16Å; C137-F176 HydrophobicContact CB-CD1 4.35Å; C137-F176 WeakPolarHBondContact SG-CD1 3.19Å; D157-F176 HydrophobicContact CB-CE1 4.39Å; D157-F176 VanDerWaalsContact OD2-CE1 3.32Å; D157-F176 WeakPolarHBondContact OD2-CE1 3.46Å; D157-F176 WeakPolarHBondContact OD2-CZ 2.95Å; A159-F176 HydrophobicContact CB-CE2 4.23Å; A159-F176 HydrophobicContact CB-CZ 3.97Å; M163-F176 HydrophobicContact CE-CB 4.4Å; M163-F176 HydrophobicContact CE-CD2 3.24Å; M163-F176 HydrophobicContact CE-CE2 3.74Å; M163-F176 HydrophobicContact CE-CG 4.12Å; M163-F176 HydrophobicContact SD-CB 4.33Å; M163-F176 HydrophobicContact SD-CD2 4.2Å; F176-R178 HydrophobicContact CE1-CG 3.89Å; F176-R178 HydrophobicContact CZ-CG 3.9Å
177K82.4Confident70.2Confident152 Ų152115 Ų11566%0.66155%0.549SS*.  trans-134.8129.2172.8-72.2-172172.1-171.60107.3
178R76.7Confident69.2Low109 Ų109120.4 Ų120.441%0.41157%0.565SS.*  trans-67.7135.7168.7-86.2-173.9-101.9138.82.4109.1D136 D157 F176 T180D136-R178 HydrophobicContact CB-CG 4.4Å; D136-R178 PolarHBondContact O-NE 2.74Å; D136-R178 VanDerWaalsContact O-NE 3.15Å; D136-R178 PolarHBondContact O-NH2 3.04Å; D136-R178 PolarHBondContact OD2-N 3.08Å; D157-R178 WeakPolarHBondContact OD2-CD 3.38Å; D157-R178 WeakPolarHBondContact OD2-CG 3.08Å; D157-R178 IonicContact OD2-NE 3.04Å; D157-R178 PolarHBondContact OD2-NE 2.87Å; F176-R178 HydrophobicContact CE1-CG 3.89Å; F176-R178 HydrophobicContact CZ-CG 3.9Å; R178-T180 PolarHBondContact O-N 3.26Å; R178-T180 VanDerWaalsContact O-N 3.14Å
179S76.6Confident68.1Low89 Ų89122.3 Ų122.362%0.62257%0.574SS**  trans-66.3112.7172-176.70000108.6Q181 L182S179-Q181 PolarHBondContact O-N 2.83Å; S179-L182 PolarHBondContact O-N 3.22Å
180T67.3Low66.4Low86 Ų86128.1 Ų128.153%0.52861%0.606SS.*Hα-helixtrans-58.6-16.7-176-500000113.5R178 L182 S183 Q184R178-T180 PolarHBondContact O-N 3.26Å; R178-T180 VanDerWaalsContact O-N 3.14Å; T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.15Å; T180-S183 WeakPolarHBondContact CA-OG 3.5Å; T180-S183 PolarHBondContact O-N 2.93Å; T180-S183 PolarHBondContact O-OG 3.23Å; T180-Q184 HydrophobicContact CG2-CG 4.31Å; T180-Q184 PolarHBondContact O-N 2.9Å
181Q59.1Low65Low123 Ų123128.5 Ų128.558%0.57562%0.616SS**Hα-helixtrans-55.5-44178.9-65.2-78.224.700111.9S179 F185S179-Q181 PolarHBondContact O-N 2.83Å; Q181-F185 VanDerWaalsContact O-CD2 3.24Å; Q181-F185 WeakPolarHBondContact O-CD2 3.44Å
182L57.4Low64.5Low127 Ų127124 Ų12467%0.66561%0.613SS**Hα-helixtrans-74.3-31.9-178.6-87.9159.5000113.9S179 T180 Q184 F185 L186S179-L182 PolarHBondContact O-N 3.22Å; T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.15Å; L182-Q184 VanDerWaalsContact C-N 3.27Å; L182-Q184 PolarHBondContact O-N 3.47Å; L182-F185 PolarHBondContact O-N 2.82Å; L182-L186 PolarHBondContact O-N 3.14Å
183S57.4Low63.5Low60 Ų60126.3 Ų126.342%0.4264%0.636SS.*Hα-helixtrans-70.2-23.9178.350.60000113.5T180T180-S183 WeakPolarHBondContact CA-OG 3.5Å; T180-S183 PolarHBondContact O-N 2.93Å; T180-S183 PolarHBondContact O-OG 3.23Å
184Q49.5Very low62.3Low118 Ų118119.3 Ų119.355%0.55163%0.628SS**Hα-helixtrans-78.5-35.5175.6-68.3179.9-4.600111.4T180 L182 M188T180-Q184 HydrophobicContact CG2-CG 4.31Å; T180-Q184 PolarHBondContact O-N 2.9Å; L182-Q184 VanDerWaalsContact C-N 3.27Å; L182-Q184 PolarHBondContact O-N 3.47Å; Q184-M188 PolarHBondContact O-N 3.28Å
185F54.6Low61.1Low139 Ų139119.3 Ų119.361%0.6164%0.635SS**Hα-helixtrans-71.8-36.6178.9-83-75.8000113.5Q181 L182 N187 M188Q181-F185 VanDerWaalsContact O-CD2 3.24Å; Q181-F185 WeakPolarHBondContact O-CD2 3.44Å; L182-F185 PolarHBondContact O-N 2.82Å; F185-N187 VanDerWaalsContact C-N 3.32Å; F185-N187 PolarHBondContact O-N 3.33Å; F185-M188 PolarHBondContact O-N 3.32Å
186L61.5Low60Low124 Ų124119.5 Ų119.565%0.64965%0.651SS**Hα-helixtrans-75.4-20.1179.1-62.4-179.8000113.7L182 T189L182-L186 PolarHBondContact O-N 3.14Å; L186-T189 PolarHBondContact O-OG1 3.2Å
187N55.7Low58.7Low140 Ų140129.5 Ų129.575%0.74969%0.688SS**THydrogen-bonded Turntrans-92.2-1.3174.8-74.410.1000113F185F185-N187 VanDerWaalsContact C-N 3.32Å; F185-N187 PolarHBondContact O-N 3.33Å
188M49.7Very low57.4Low153 Ų153126.5 Ų126.575%0.75469%0.692SS**SBendtrans-100.44.1-179.6-148.3-146.3136.400113.4Q184 F185Q184-M188 PolarHBondContact O-N 3.28Å; F185-M188 PolarHBondContact O-N 3.32Å
189T55.9Low56.9Low98 Ų98126.9 Ų126.960%0.60171%0.709SS**  trans-9518.8-176.9530000114.7L186 P191L186-T189 PolarHBondContact O-OG1 3.2Å; T189-P191 VanDerWaalsContact C-CD 3.45Å; T189-P191 WeakPolarHBondContact O-CD 2.81Å
190D45.5Very low56.3Low147 Ų147128.7 Ų128.779%0.78672%0.718SS**  trans-104.684.9168.2-76.9-35.6000111.3V192D190-V192 VanDerWaalsContact C-N 3.33Å; D190-V192 PolarHBondContact O-N 3.01Å; D190-V192 VanDerWaalsContact O-N 3.1Å
191P50.1Low55.7Low120 Ų120134 Ų13478%0.77973%0.734SS**THydrogen-bonded Turntrans-85.864.6178.636.8-36.6000111.2T189T189-P191 VanDerWaalsContact C-CD 3.45Å; T189-P191 WeakPolarHBondContact O-CD 2.81Å
192V59.3Low55.3Low132 Ų132137.3 Ų137.380%0.875%0.752SS**THydrogen-bonded Turntrans-133.4-10.1175178.10000114.6D190D190-V192 VanDerWaalsContact C-N 3.33Å; D190-V192 PolarHBondContact O-N 3.01Å; D190-V192 VanDerWaalsContact O-N 3.1Å
193V57.1Low54.9Low134 Ų134134 Ų13481%0.81275%0.748SS**SBendtrans-131.260.1-175.6-162.80000112.9
194S51.2Low54.5Low116 Ų116136.1 Ų136.181%0.81177%0.77SS**  trans-143.617.4171.3-81.80000115.1T196S194-T196 VanDerWaalsContact C-N 3.26Å; S194-T196 PolarHBondContact O-N 3.08Å
195L55.7Low54.7Low175 Ų175137.3 Ų137.392%0.91679%0.786SS**SBendtrans-8735.6177.2-150.678.5000113.7
196T57.2Low54.5Low139 Ų139138.8 Ų138.885%0.85380%0.799SS**  trans-155.158.5172.756.80000111.5S194S194-T196 VanDerWaalsContact C-N 3.26Å; S194-T196 PolarHBondContact O-N 3.08Å
197R53Low54.2Low238 Ų238138 Ų13890%0.89881%0.81SS**  trans-143.890.3160.4-167.211684.4141.34.8109.6
198A55.8Low53.8Low90 Ų90134.9 Ų134.974%0.74481%0.811SS**PPolyproline II helixtrans-56.3137.1173.900000110.8
199P65.1Low53.9Low117 Ų117133.3 Ų133.376%0.7682%0.816SS**PPolyproline II helixtrans-73.7143172.129.8-31.5000110F201P199-F201 PolarHBondContact O-N 3.02Å
200P63.7Low53.6Low127 Ų127139.9 Ų139.983%0.82583%0.829SS**PPolyproline II helixtrans-70.8123.7173.329.4-29.9000109.4
201F56.3Low54Low196 Ų196141 Ų14186%0.8683%0.829SS**  trans-29.7121.7168.3-166.7-101.1000114.9P199 G203P199-F201 PolarHBondContact O-N 3.02Å; F201-G203 PolarHBondContact O-N 3.14Å
202M50.5Low54.1Low193 Ų193143.1 Ų143.195%0.95183%0.833SS**  trans-75.1105.2165.1-81.9-160.7-87.900109.6
203G47.8Very low53.8Low57 Ų57146.7 Ų146.759%0.58883%0.832SS**  trans-104.3115.4167.500000110.4F201F201-G203 PolarHBondContact O-N 3.14Å
204A48.9Very low53.7Low106 Ų106145.6 Ų145.688%0.87683%0.829SS**  trans-68.8134.2174.700000111.5
205T53.5Low54.6Low143 Ų143145.7 Ų145.788%0.87783%0.827SS**  trans-141.7128.6155.9-16.40000109.7
206L51.8Low55.2Low169 Ų169142.2 Ų142.289%0.88582%0.815SS**  trans-75.4158.2177.8-74.6158.5000111.8
207A53.6Low55.5Low108 Ų108141.7 Ų141.789%0.89381%0.814SS**  trans76.4135.415700000118.4
208G47.5Very low55.8Low75 Ų75139.7 Ų139.777%0.77381%0.814SS**  trans131.676.3155.500000116.1R210G208-R210 PolarHBondContact O-N 3.22Å
209S51.9Low55.9Low120 Ų120144.3 Ų144.384%0.83982%0.821SS**  trans-15.2120152.3-157.90000116.5
210R50.8Low55.4Low236 Ų236143 Ų14389%0.89182%0.819SS**  -175.6121.2128.8-101.9169.2-176.5-106.90.9111.2G208 I212G208-R210 PolarHBondContact O-N 3.22Å; R210-I212 PolarHBondContact O-N 3.2Å
211Q53.8Low55.2Low169 Ų169143 Ų14379%0.7982%0.82SS**  trans-53.4127.4169.8-75.3-110.2-37.200111.7
212I52.3Low55.4Low165 Ų165140 Ų14085%0.84682%0.817SS**  trans-117.6106.7153.9-62.3-172.6000107.2R210R210-I212 PolarHBondContact O-N 3.2Å
213R52.4Low55Low207 Ų207135.6 Ų135.678%0.78181%0.812SS**PPolyproline II helixtrans-77125.2177.8175.8-179.7-75.3-144.4-3.1108.7
214C54.8Low55.4Low111 Ų111139.1 Ų139.175%0.7582%0.822SS**PPolyproline II helixtrans-64.4136.6166.4-59.50000109.9
215P69.8Low55.3Low118 Ų118138.5 Ų138.577%0.76682%0.816SS**PPolyproline II helixtrans-78.4138.7174.530.7-30.4000110.7
216P69.1Low55.1Low102 Ų102143.7 Ų143.766%0.66282%0.82SS**PPolyproline II helixtrans-77.4158.5170.132.2-32.9000111.3Q218P216-Q218 PolarHBondContact O-N 3.32Å
217P64.1Low55Low129 Ų129140.8 Ų140.884%0.83881%0.814SS**PPolyproline II helixtrans-69118178.628.2-31000109.9
218Q58.9Low54.7Low195 Ų195141.9 Ų141.991%0.91182%0.815SS**PPolyproline II helixtrans-77.8147.1173.7-79.1-172.8-1.700112P216P216-Q218 PolarHBondContact O-N 3.32Å
219Q56.9Low54.7Low188 Ų188141.6 Ų141.688%0.87981%0.813SS**PPolyproline II helixtrans-73.8157.9-166-66.8162-2.700113.3
220A54.8Low54.4Low88 Ų88144.4 Ų144.473%0.72782%0.817SS**PPolyproline II helixtrans-53.7141173.600000112.7T222A220-T222 PolarHBondContact O-N 2.67Å
221P60.7Low54.6Low129 Ų129144.8 Ų144.884%0.83882%0.819SS**PPolyproline II helixtrans-72.5130.9167.728.7-29.8000110.1
222T58.7Low54.9Low131 Ų131142.8 Ų142.880%0.80482%0.818SS**PPolyproline II helixtrans-53.1151.4174.344.50000114.1A220A220-T222 PolarHBondContact O-N 2.67Å
223A42.5Very low55.4Low101 Ų101139.6 Ų139.684%0.83581%0.808SS**  trans-29.6127.2169.500000115.5
224V55.9Low55.9Low132 Ų132136 Ų13680%0.881%0.809SS**  trans-108.5119.2150.6-113.40000106.8W226V224-W226 PolarHBondContact O-N 3.07Å
225A48.5Very low56.2Low92 Ų92139 Ų13976%0.7681%0.809SS**  trans-54.7126.5177.300000110.9S227A225-S227 PolarHBondContact O-N 3.43Å
226W47.6Very low55.9Low252 Ų252139.1 Ų139.196%0.95581%0.811SS**  trans-83.793.4163.3-64.9-20.7000107.9V224V224-W226 PolarHBondContact O-N 3.07Å
227S50.6Low55.2Low109 Ų109141 Ų14176%0.76282%0.819SS**  trans-72.1138.4159.540.50000109.6A225A225-S227 PolarHBondContact O-N 3.43Å
228S47.2Very low54.8Low130 Ų130140.3 Ų140.391%0.90982%0.818SS**  trans-44.8130.8177.8-44.70000113.5
229G47.6Very low54.4Low70 Ų70139.3 Ų139.372%0.72282%0.815SS**  trans-179.988.3173.500000112.6R231G229-R231 PolarHBondContact O-N 2.88Å; G229-R231 VanDerWaalsContact O-N 3.08Å
230L46.2Very low54Low179 Ų179135.1 Ų135.194%0.93781%0.807SS**  trans-46.8108.1165.6-73.5153.2000111
231R55.2Low53.7Low244 Ų244136.5 Ų136.592%0.92181%0.808SS**  trans-149.4126152.5-71.7-162-173.5-175.52.4111G229G229-R231 PolarHBondContact O-N 2.88Å; G229-R231 VanDerWaalsContact O-N 3.08Å
232V59.9Low53.2Low127 Ų127135.2 Ų135.277%0.7780%0.802SS**  trans-67.6140.1177.5-177.50000110.2
233P62Low52.6Low98 Ų98134.6 Ų134.664%0.63680%0.801SS**  trans-86.8112.316931.3-26.3000110.4F235P233-F235 HydrophobicContact CB-CE2 4.22Å
234T63Low53.1Low132 Ų132138.3 Ų138.381%0.8181%0.806SS**PPolyproline II helixtrans-83.4117.6164.3-52.30000108.3
235F60.3Low52.6Low172 Ų172137.4 Ų137.475%0.75481%0.805SS**PPolyproline II helixtrans-96.4142.7166.7-74.1-80.2000110.1P233P233-F235 HydrophobicContact CB-CE2 4.22Å
236P64.2Low52.5Low122 Ų122138.6 Ų138.679%0.79281%0.805SS**PPolyproline II helixtrans-77.3131.5-177.130.9-32.5000111.4
237V55Low52.4Low140 Ų140133.1 Ų133.185%0.84880%0.8SS**PPolyproline II helixtrans-79.8117.2169.1172.50000108.3
238S56.3Low52.3Low115 Ų115133.9 Ų133.980%0.80480%0.799SS**PPolyproline II helixtrans-85.4147.3168.8-170.90000110.6
239M49.2Very low52Low174 Ų174139.8 Ų139.886%0.85780%0.802SS**PPolyproline II helixtrans-70.3147.3-160.1-59.5-115.883.500115.2
240S48Very low51.9Low101 Ų101140.1 Ų140.171%0.70679%0.792SS**PPolyproline II helixtrans-63.2163159.2-153.80000110.7
241P50.2Low51.7Low116 Ų116138 Ų13875%0.75378%0.782SS**  -146.3135.577.432.1-10.7000116.7
242S49.3Very low51.1Low102 Ų102135.3 Ų135.371%0.71378%0.777SS**  trans66.1128.2130.2-52.30000121.9
243P46.6Very low50.4Low119 Ų119134.9 Ų134.977%0.77378%0.777SS**  trans-95.6147.9173.237.1-29.8000112.6
244L53.1Low49.5Very low178 Ų178137.7 Ų137.793%0.93279%0.785SS**  trans-127.3122.3163.1-69172.7000108.8
245S44.3Very low48.7Very low113 Ų113138.3 Ų138.379%0.7979%0.788SS**  trans-89.5-173.2169.9-59.50000110.4
246P45.9Very low48Very low118 Ų118134.1 Ų134.177%0.76679%0.786SS**  -120.7163.1-92.833.3-14.3000112.2
247T47Very low47Very low136 Ų136134.7 Ų134.783%0.83479%0.789SS**  trans-145.6112.4166.2-61.50000111.8
248V47.8Very low46.6Very low125 Ų125131.7 Ų131.776%0.75879%0.786SS**  trans-2.1125.3143-175.70000115.8
249W40.3Very low46Very low255 Ų255132.2 Ų132.297%0.96678%0.784SS**  trans-127.5124.4148.3-153.7-59000109.9
250C45.8Very low45.6Very low76 Ų76132.1 Ų132.151%0.51479%0.787SS.*  trans-99.8150.6-175.8-136.20000110.7
251N43.5Very low44.9Very low135 Ų135133.8 Ų133.872%0.72279%0.788SS**  trans76105.3150-60.4-26.5000120.9
252K42.4Very low44.3Very low187 Ų187134.4 Ų134.481%0.81379%0.793SS**  37.1151.6108.1-84.8168.4176.2179.10118.8
253P44.6Very low43.6Very low119 Ų119140.3 Ų140.377%0.77380%0.8SS**  cis-146.7163.339.235.1-12000118.9
254I42Very low43Very low156 Ų156141.3 Ų141.380%0.880%0.804SS**  trans9.1123.6142.1-85.2160.1000118.2
255V47.6Very low42.2Very low145 Ų145137.7 Ų137.788%0.87980%0.8SS**  -155.4130.8129.2176.80000108.5
256A44.5Very low42Very low85 Ų85138.4 Ų138.470%0.70281%0.805SS**  trans-130.2177.2164.700000107
257P44.4Very low41.4Very low133 Ų133136.1 Ų136.186%0.86480%0.803SS**  cis-123.3171.5-33.929.3-10.2000111.3
258G46.9Very low41Very low77 Ų77135.6 Ų135.679%0.79481%0.805SS**  trans-140.9116173.300000111.4
259V41.8Very low40.3Very low126 Ų126133.4 Ų133.476%0.76481%0.807SS**  trans-66.5133.4-179.2174.90000111.1
260L41.8Very low40.5Very low173 Ų173126 Ų12691%0.90680%0.8SS**  trans-142.6113.5151.3-109.6111.3000110.1
261D32.6Very low40.5Very low136 Ų136131.6 Ų131.673%0.72782%0.816SS**  trans-68.1137.6166-87.3-53.1000110.8
262C38.9Very low40.3Very low129 Ų129128.4 Ų128.487%0.87281%0.814SS**  trans-134.794.2151.153.70000108.9
263R33.3Very low40.3Very low225 Ų225128.3 Ų128.385%0.84982%0.815SS**  trans-66.9151.6161.5-78.5176.7162.3-179.1-5.2109.8
264T35.2Very low40.7Very low140 Ų140131.8 Ų131.886%0.85982%0.818SS**  trans95.387.4156.5-35.90000116.2
265A36.6Very low41.3Very low103 Ų103127.1 Ų127.185%0.85180%0.799SS**  trans-158.3108.7134.500000109.6
266S38.7Very low42.3Very low127 Ų127125.5 Ų125.589%0.88879%0.789SS**  trans-70.7146.6172.7163.40000111.4
267G33.8Very low43.3Very low70 Ų70128.4 Ų128.472%0.72279%0.788SS**  trans88.9104.7140.700000118
268S38.3Very low44.2Very low126 Ų126125.1 Ų125.188%0.88177%0.768SS**  154.7130.2121.5-166.50000110.5A270S268-A270 PolarHBondContact O-N 2.95Å
269G34.1Very low45.2Very low78 Ų78124.6 Ų124.680%0.80475%0.747SS**  trans-70119.4-172.700000113.3
270A43.9Very low46.6Very low99 Ų99123.6 Ų123.682%0.81874%0.737SS**  trans-95.8109.6165.100000109.4S268 G272S268-A270 PolarHBondContact O-N 2.95Å; A270-G272 PolarHBondContact O-N 3.02Å
271K45.8Very low47.9Very low195 Ų195121 Ų12185%0.84872%0.724SS**  trans-67.994.7165.7-61.5177-176.7177.30107.2F273K271-F273 PolarHBondContact O-N 3.1Å
272G39.3Very low49.7Very low67 Ų67117.3 Ų117.369%0.69171%0.708SS**  trans-66.2101.4179.800000111.7A270 F274A270-G272 PolarHBondContact O-N 3.02Å; G272-F274 PolarHBondContact O-N 3.12Å
273F42.4Very low51Low186 Ų186117.7 Ų117.782%0.81670%0.699SS**  trans-67.4113.1160.9-80.5-94.7000108.2K271 S275K271-F273 PolarHBondContact O-N 3.1Å; F273-S275 VanDerWaalsContact C-N 3.32Å; F273-S275 PolarHBondContact O-N 3.31Å
274F53.5Low52.7Low192 Ų192112.7 Ų112.784%0.84269%0.693SS**  trans-72.787.5169.1-105.1-104.3000108.6G272 I279G272-F274 PolarHBondContact O-N 3.12Å; F274-I279 HydrophobicContact CD1-CD1 3.63Å; F274-I279 HydrophobicContact CD1-CG1 4.35Å; F274-I279 HydrophobicContact CE1-CD1 3.66Å; F274-I279 HydrophobicContact CE1-CG1 4.31Å
275S55Low54.1Low58 Ų58110 Ų11041%0.40669%0.685SS.*  trans-93.9136.5161-174.60000108.5F273 E277 S278 I279F273-S275 VanDerWaalsContact C-N 3.32Å; F273-S275 PolarHBondContact O-N 3.31Å; S275-E277 PolarHBondContact O-N 3.27Å; S275-E277 VanDerWaalsContact O-N 3.13Å; S275-S278 PolarHBondContact O-N 3.36Å; S275-I279 PolarHBondContact O-N 3.34Å
276V66.6Low54.9Low111 Ų111113.5 Ų113.567%0.67368%0.681SS**Hα-helixtrans-55.7-30.7177.9-153.10000110.9I279 L280V276-I279 PolarHBondContact O-N 3.15Å; V276-L280 PolarHBondContact O-N 2.9Å; V276-L280 VanDerWaalsContact O-N 3.14Å
277E66.7Low55.1Low145 Ų145110.2 Ų110.268%0.67867%0.667SS**Hα-helixtrans-68.2-37.2176-62.8-168.7161.600112.7S275 I279 L280 D281S275-E277 PolarHBondContact O-N 3.27Å; S275-E277 VanDerWaalsContact O-N 3.13Å; E277-I279 VanDerWaalsContact C-N 3.3Å; E277-I279 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 3.12Å; E277-D281 WeakPolarHBondContact O-CB 3.4Å; E277-D281 PolarHBondContact O-N 3.2Å
278S62.5Low55.4Low64 Ų64113.9 Ų113.945%0.44867%0.671SS.*Hα-helixtrans-68.8-29.8177179.10000112.4S275 S282S275-S278 PolarHBondContact O-N 3.36Å; S278-S282 VanDerWaalsContact O-CB 3.32Å; S278-S282 WeakPolarHBondContact O-CB 3.35Å; S278-S282 PolarHBondContact O-N 3.35Å; S278-S282 PolarHBondContact O-OG 3.27Å
279I67.9Low55.8Low66 Ų66113.6 Ų113.634%0.33867%0.666SS.*Hα-helixtrans-71.8-43173.9-57.8173000110.3F274 S275 V276 E277 S282 M283F274-I279 HydrophobicContact CD1-CD1 3.63Å; F274-I279 HydrophobicContact CD1-CG1 4.35Å; F274-I279 HydrophobicContact CE1-CD1 3.66Å; F274-I279 HydrophobicContact CE1-CG1 4.31Å; S275-I279 PolarHBondContact O-N 3.34Å; V276-I279 PolarHBondContact O-N 3.15Å; E277-I279 VanDerWaalsContact C-N 3.3Å; E277-I279 PolarHBondContact O-N 2.84Å; I279-S282 PolarHBondContact O-N 3.47Å; I279-M283 HydrophobicContact CG2-CE 4.14Å; I279-M283 HydrophobicContact CG2-SD 4.44Å; I279-M283 WeakPolarHBondContact O-CG 3.47Å; I279-M283 PolarHBondContact O-N 3.37Å
280L72.3Confident56.2Low106 Ų106116.5 Ų116.556%0.55566%0.662SS**Hα-helixtrans-66-42.4177.2-74.4164.3000111.5V276 E277 S282 M283 V284V276-L280 PolarHBondContact O-N 2.9Å; V276-L280 VanDerWaalsContact O-N 3.14Å; E277-L280 PolarHBondContact O-N 3.12Å; L280-S282 VanDerWaalsContact C-N 3.34Å; L280-S282 PolarHBondContact O-N 3.36Å; L280-M283 PolarHBondContact O-N 3.4Å; L280-V284 WeakPolarHBondContact O-CG2 3.46Å; L280-V284 PolarHBondContact O-N 3.28Å; L280-V284 VanDerWaalsContact O-N 3.09Å
281D69.2Low56.7Low118 Ų118119.4 Ų119.463%0.63166%0.661SS**Hα-helixtrans-63.6-39.2174.9-88.9-8.1000112.2E277 M283 V284 A285E277-D281 WeakPolarHBondContact O-CB 3.4Å; E277-D281 PolarHBondContact O-N 3.2Å; D281-M283 VanDerWaalsContact C-N 3.31Å; D281-M283 PolarHBondContact O-N 3.31Å; D281-V284 PolarHBondContact O-N 3.42Å; D281-A285 WeakPolarHBondContact O-CB 3.47Å; D281-A285 PolarHBondContact O-N 3.4Å
282S70.2Confident56.8Low58 Ų58115.2 Ų115.241%0.40665%0.653SS.*Hα-helixtrans-65.2-36.3175.2-59.80000111.6S278 I279 L280 A285 F286S278-S282 VanDerWaalsContact O-CB 3.32Å; S278-S282 WeakPolarHBondContact O-CB 3.35Å; S278-S282 PolarHBondContact O-N 3.35Å; S278-S282 PolarHBondContact O-OG 3.27Å; I279-S282 PolarHBondContact O-N 3.47Å; L280-S282 VanDerWaalsContact C-N 3.34Å; L280-S282 PolarHBondContact O-N 3.36Å; S282-A285 PolarHBondContact O-N 3Å; S282-F286 VanDerWaalsContact O-CD2 3.31Å; S282-F286 WeakPolarHBondContact O-CD2 3.24Å
283M66.4Low57Low138 Ų138118.7 Ų118.768%0.6866%0.661SS**Hα-helixtrans-70.8-29.5177.4-73.9-178.4171.700113I279 L280 D281I279-M283 HydrophobicContact CG2-CE 4.14Å; I279-M283 HydrophobicContact CG2-SD 4.44Å; I279-M283 WeakPolarHBondContact O-CG 3.47Å; I279-M283 PolarHBondContact O-N 3.37Å; L280-M283 PolarHBondContact O-N 3.4Å; D281-M283 VanDerWaalsContact C-N 3.31Å; D281-M283 PolarHBondContact O-N 3.31Å
284V69.4Low57.2Low119 Ų119117.6 Ų117.672%0.72166%0.663SS**Hα-helixtrans-77.7-33.6175.1177.40000111.4L280 D281 F286 G287L280-V284 WeakPolarHBondContact O-CG2 3.46Å; L280-V284 PolarHBondContact O-N 3.28Å; L280-V284 VanDerWaalsContact O-N 3.09Å; D281-V284 PolarHBondContact O-N 3.42Å; V284-F286 VanDerWaalsContact C-N 3.32Å; V284-F286 PolarHBondContact O-N 2.92Å; V284-G287 PolarHBondContact O-N 3.31Å
285A63.6Low56.9Low83 Ų83114.3 Ų114.369%0.68666%0.661SS**Hα-helixtrans-71.8-17.3-178.400000115.1D281 S282D281-A285 WeakPolarHBondContact O-CB 3.47Å; D281-A285 PolarHBondContact O-N 3.4Å; S282-A285 PolarHBondContact O-N 3Å
286F53.1Low56.3Low177 Ų177119.4 Ų119.478%0.77668%0.683SS**THydrogen-bonded Turntrans-91.86177.9-83.7-76000114.8S282 V284 N288S282-F286 VanDerWaalsContact O-CD2 3.31Å; S282-F286 WeakPolarHBondContact O-CD2 3.24Å; V284-F286 VanDerWaalsContact C-N 3.32Å; V284-F286 PolarHBondContact O-N 2.92Å; F286-N288 PolarHBondContact O-N 3.5Å; F286-N288 VanDerWaalsContact O-N 3.08Å
287G42.9Very low55.5Low58 Ų58122.1 Ų122.160%0.59869%0.692SS**  trans-78.482.2170.100000111.8V284 P289V284-G287 PolarHBondContact O-N 3.31Å; G287-P289 VanDerWaalsContact O-CD 3.23Å; G287-P289 WeakPolarHBondContact O-CD 3.11Å
288N41.4Very low54.6Low148 Ų148120.1 Ų120.179%0.79169%0.692SS**  trans-49.4123.5171.1-84.3-28.8000112.1F286F286-N288 PolarHBondContact O-N 3.5Å; F286-N288 VanDerWaalsContact O-N 3.08Å
289P45.1Very low53.7Low119 Ų119126.3 Ų126.377%0.77371%0.713SS**  trans-110.397.1159.331.3-13.4000108.2G287G287-P289 VanDerWaalsContact O-CD 3.23Å; G287-P289 WeakPolarHBondContact O-CD 3.11Å
290L42.9Very low52.7Low139 Ų139127.8 Ų127.873%0.72874%0.735SS**  trans-127.3110.6168.2-82.5174.1000110.8
291M54.2Low51.5Low161 Ų161127.1 Ų127.179%0.79375%0.745SS**  trans82.1159136.8-63.7-68.4-178.400117.8
292P48.2Very low50.4Low107 Ų107125.8 Ų125.870%0.69575%0.751SS**  -132.4175.5-81.730-6.9000112.9
293T43.1Very low49.4Very low139 Ų139131.6 Ų131.685%0.85378%0.775SS**  trans-37.6134.4176.3-34.70000117.2
294L46.4Very low48.6Very low164 Ų164133.4 Ų133.486%0.85978%0.782SS**PPolyproline II helixtrans-95.2144.6165.7-80.2171000111.8
295P47.5Very low47.3Very low123 Ų123136.2 Ų136.280%0.79979%0.788SS**PPolyproline II helixtrans-89.7154.1178.235.3-31.5000113.8
296L42.8Very low46.5Very low165 Ų165140.2 Ų140.286%0.86479%0.791SS**PPolyproline II helixtrans-85.6130.1-176.8-174.280.4000111.8
297I48.9Very low46.3Very low167 Ų167138.8 Ų138.886%0.85679%0.787SS**  trans-142.6135.3155.8-59.8-176.5000109.9
298P48.5Very low46.5Very low104 Ų104143.8 Ų143.868%0.67580%0.795SS**  trans-115165.8-163.138.8-25.3000117
299Q43.1Very low46.7Very low193 Ų193144.7 Ų144.790%0.90279%0.794SS**  trans59.2127.8150.4-93.1-177.225.700121.7
300A48.5Very low47Very low97 Ų97145.8 Ų145.880%0.80279%0.792SS**  172.8146.6111.400000113.9
301A46Very low47.2Very low93 Ų93145.6 Ų145.677%0.76979%0.792SS**  trans66.7106.9154.900000119.1
302A46.9Very low46.8Very low90 Ų90143.1 Ų143.174%0.74479%0.79SS**  73.3119.470.800000113.7
303I48.9Very low46.9Very low179 Ų179145.1 Ų145.192%0.91879%0.794SS**  173.4139.8128.7-83.5153.1000109.7
304Q49.1Very low47Very low176 Ų176145.8 Ų145.882%0.82279%0.792SS**  trans-108.4138.7-161.2-155.9161.2-39.200110
305Q42.7Very low47.1Very low179 Ų179143 Ų14384%0.83678%0.784SS**  trans33.4123.8153.3-57.6-159.6-19.900121.8
306H46Very low47.2Very low166 Ų166143 Ų14377%0.76978%0.781SS**  trans-159.5130.3155.6-148.5-123.9000112.9
307H49.5Very low47.4Very low147 Ų147143.2 Ų143.268%0.68178%0.783SS**  trans76.2113.4154.8-78.750000119.8
308Q47.3Very low47.3Very low163 Ų163140 Ų14076%0.76277%0.773SS**  84.9103.564.1-70.1-86.9-15.900113.7
309H44.9Very low47.4Very low168 Ų168142.8 Ų142.878%0.77878%0.782SS**  trans45.7103.7131.4-168.4-94.1000120.4
310I52.1Low47.7Very low141 Ų141139.5 Ų139.572%0.72378%0.775SS**  trans-148.1119.8158.2-59.1-172.8000111.9
311N45.9Very low48Very low136 Ų136140.5 Ų140.573%0.72777%0.77SS**  trans64.4114.3149.2-55.5-13.2000119.7
312S45.7Very low48.4Very low108 Ų108145 Ų14576%0.75577%0.773SS**  68.6134.354.7-1580000115.3
313L51Low48.7Very low149 Ų149146.7 Ų146.778%0.7878%0.776SS**  trans96.390.9168.9-51.5173.4000117.8
314N44.9Very low49.1Very low153 Ų153144.6 Ų144.682%0.81877%0.771SS**  167.6144.688.7-105.1-41.7000112.4
315P49.3Very low48.8Very low105 Ų105145.1 Ų145.168%0.68277%0.774SS**  trans-114.7169.7-169.443.3-32.2000115
316V49.1Very low49Very low123 Ų123140.5 Ų140.575%0.74577%0.766SS**  trans67.5114.1147.6176.40000119.1
317L46.4Very low49.2Very low171 Ų171137.2 Ų137.290%0.89576%0.762SS**  -160.8122.5125.7-90.2-174.9000109.8
318P48.5Very low49.3Very low99 Ų99136.4 Ų136.464%0.64377%0.77SS**  trans-116.5129155.433.8-21.6000109.7
319N49.8Very low49.7Very low162 Ų162135.3 Ų135.387%0.86677%0.768SS**  trans177.1162148.4-104.1-46.7000113.2
320V48.6Very low49.9Very low125 Ų125136.3 Ų136.376%0.75877%0.77SS**  trans10074.1160.6-162.30000116.4
321V54.6Low49.6Very low117 Ų117137.5 Ų137.571%0.70978%0.777SS**  24.6122.6115-1730000117.6
322K55.6Low50.2Low188 Ų188136.6 Ų136.682%0.81778%0.779SS**  179.6118.1128.8-95.8167.9-167-1780110.4
323P53.4Low50.3Low125 Ų125135.9 Ų135.981%0.81278%0.779SS**  trans-97.4126.6148.631.2-20.3000108.7
324V56Low50.8Low135 Ų135137 Ų13782%0.81878%0.784SS**  trans-96111.8170.4158.70000108.2
325E42.8Very low51Low187 Ų187137.7 Ų137.787%0.87478%0.782SS**  trans-82.9133.7160.8178176.1170.300108.4
326A48.8Very low51.2Low82 Ų82141.5 Ų141.568%0.67879%0.788SS**  trans177.2129142.700000113.1
327S49.7Very low51.5Low97 Ų97141.6 Ų141.668%0.67878%0.784SS**  trans100.6105.2145.3-45.40000119.3
328P50.5Low51.5Low131 Ų131139.6 Ų139.685%0.85177%0.774SS**  trans-94.6132.6142.533.7-23.1000110
329I56.1Low51.7Low140 Ų140142.4 Ų142.472%0.71878%0.784SS**  trans-120.4119.3-178-69.9-179.5000110.1
330F49.7Very low51.7Low189 Ų189141.1 Ų141.183%0.82977%0.773SS**  trans72.9106.9149.9-86.2-115.1000122.3
331L44.9Very low51.6Low166 Ų166142.9 Ų142.987%0.86977%0.773SS**  trans-98.3154.9139.1-85.8154.9000109
332P59.2Low51.2Low116 Ų116141.4 Ų141.475%0.75377%0.767SS**  trans-121.1136142.530.7-17.7000111.6
333A46.5Very low50.7Low93 Ų93143.1 Ų143.177%0.76977%0.769SS**  trans-75144.1177.700000112.4
334I61.6Low50.5Low174 Ų174144.9 Ų144.989%0.89277%0.766SS**  trans-124.9127.4152.5-68.8-70.7000107.6
335H49.7Very low50.2Low167 Ų167145.9 Ų145.977%0.77376%0.762SS**  trans-106.4128.8-169.5-177.1-89.8000108.3
336F53.8Low50.5Low184 Ų184144.5 Ų144.581%0.80776%0.758SS**  trans-169120147.4-129.8-125.4000114.9
337L54.4Low50.7Low125 Ų125146 Ų14665%0.65476%0.76SS**  trans58.491.8149.5-86.6113.9000123.4
338N47.5Very low51.5Low130 Ų130153 Ų15370%0.69577%0.772SS**  19.3114.1106.2-152.126.5000118.4
339N52.8Low51.9Low158 Ų158155.3 Ų155.385%0.84577%0.773SS**  -146.9118.2129.3-158.93.6000110.4
340Q50.2Low52.3Low135 Ų135154.1 Ų154.163%0.63177%0.773SS**  trans-70.5149.8172.3-69.1-116-600110.1
341Q46Very low52.9Low161 Ų161151.4 Ų151.475%0.75277%0.772SS**  169.9112.6100.5-144.6101.29.900110.1
342S47.1Very low53.5Low86 Ų86151.8 Ų151.860%0.60180%0.799SS**  trans13.3136.1143.966.60000122.8
343R44.7Very low53.3Low225 Ų225153.6 Ų153.685%0.84980%0.801SS**  76.3151.5128.7-82.7-175.6179.1-116.81.8120.2
344Q49Very low53.6Low162 Ų162156.7 Ų156.776%0.75780%0.803SS**  trans93.893.3168.4-49.2-74.313.500112.9
345Q48.7Very low53.2Low155 Ų155155.8 Ų155.872%0.72480%0.798SS**  45.6106.581.3-85.4-163.918.500114.6
346M50.7Low53.4Low159 Ų159155.1 Ų155.178%0.78380%0.799SS**  155.2156.3110.9-87.2-41.2-164.300113.3
347P51.6Low53.3Low113 Ų113153.3 Ų153.373%0.73480%0.799SS**  trans-95.3162-161.938.7-34.6000113
348W67.2Low53.3Low245 Ų245155.2 Ų155.293%0.92881%0.809SS**  trans-115.3106165.857.7-87.5000110.3
349M58.5Low53.7Low178 Ų178157 Ų15788%0.87782%0.817SS**  trans-99.8131.9153.2-100.5-177159.100107.3
350T65.4Low53.8Low116 Ų116156.9 Ų156.971%0.71281%0.814SS**  trans56.6113.1132.4-40.70000119.9
351T62.1Low54Low132 Ų132158.8 Ų158.881%0.8183%0.83SS**  158.5118.2110.3-61.60000111.9
352A57.7Low54.8Low173 Ų173158.5 Ų158.5100%1.4384%0.837SS**  -155.80129.800000107.7

Retrieved 352 of 352 residues in 104.2 ms (Link to these results)