A0A087XB19_POEFO Loading...

Vestigial-like family member 2a

AlphaFold DB , UniProt , Accession A0A087XB19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 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
1M54.2Low61.2Low218 Ų218129.8 Ų129.8100%1.07467%0.667SS**  0120.60-71152.774.300106.9
2S59.2Low59.9Low60 Ų60123.2 Ų123.242%0.4266%0.655SS.*  trans-80.1152.8-175.6174.30000110.1L4 D5S2-L4 PolarHBondContact O-N 3.06Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.19Å; S2-D5 WeakPolarHBondContact O-CB 3.36Å; S2-D5 PolarHBondContact O-N 3.36Å
3C66.9Low58.9Low100 Ų100123.5 Ų123.568%0.67667%0.668SS**Hα-helixtrans-56.7-24.1174.654.80000112.9M7C3-M7 PolarHBondContact O-N 3.33Å
4L68.1Low57.9Low111 Ų111126.6 Ų126.658%0.58168%0.676SS**Hα-helixtrans-66.7-36.8172.1-74.2175000112.8S2 V6 M7 Y8S2-L4 PolarHBondContact O-N 3.06Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.19Å; L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 PolarHBondContact O-N 3.49Å; L4-M7 PolarHBondContact O-N 3.17Å; L4-Y8 HydrophobicContact CD2-CE2 4.26Å; L4-Y8 WeakPolarHBondContact O-CB 3.43Å; L4-Y8 WeakPolarHBondContact O-CD2 3.44Å; L4-Y8 PolarHBondContact O-N 3.03Å
5D67.8Low57.6Low97 Ų97125.1 Ų125.152%0.51968%0.676SS.*Hα-helixtrans-63.3-38.9178.1-82.6-59.6000111.6S2 Q9S2-D5 WeakPolarHBondContact O-CB 3.36Å; S2-D5 PolarHBondContact O-N 3.36Å; D5-Q9 WeakPolarHBondContact O-CB 3.33Å; D5-Q9 PolarHBondContact O-N 3.1Å
6V72.4Confident56.7Low92 Ų92129.1 Ų129.156%0.55868%0.68SS**Hα-helixtrans-70.1-39.8-178.4-179.70000111.5L4L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 PolarHBondContact O-N 3.49Å
7M70.8Confident55.4Low128 Ų128133.1 Ų133.163%0.63169%0.69SS**Hα-helixtrans-73.9-35.8179.5-69.8-66.8-67.700112.5C3 L4C3-M7 PolarHBondContact O-N 3.33Å; L4-M7 PolarHBondContact O-N 3.17Å
8Y57.8Low54.2Low179 Ų179131.7 Ų131.770%0.70269%0.694SS**Hα-helixtrans-75-24.8178.9-90.9-92.3000113.2L4 F11L4-Y8 HydrophobicContact CD2-CE2 4.26Å; L4-Y8 WeakPolarHBondContact O-CB 3.43Å; L4-Y8 WeakPolarHBondContact O-CD2 3.44Å; L4-Y8 PolarHBondContact O-N 3.03Å; Y8-F11 PolarHBondContact O-N 3.35Å
9Q57Low53.2Low161 Ų161130.1 Ų130.175%0.75270%0.695SS**Hα-helixtrans-77-21.1178.8-159.2153.74200113.5D5 F11D5-Q9 WeakPolarHBondContact O-CB 3.33Å; D5-Q9 PolarHBondContact O-N 3.1Å; Q9-F11 VanDerWaalsContact C-N 3.26Å; Q9-F11 PolarHBondContact O-N 3.43Å
10V51.8Low52.5Low114 Ų114134.9 Ų134.969%0.69171%0.705SS**THydrogen-bonded Turntrans-71.2-22.3171.4165.60000112.1
11F47.5Very low51.6Low168 Ų168133.5 Ų133.574%0.73771%0.706SS**THydrogen-bonded Turntrans-107.746.7178.6-73.9-81.5000112.4Y8 Q9Y8-F11 PolarHBondContact O-N 3.35Å; Q9-F11 VanDerWaalsContact C-N 3.26Å; Q9-F11 PolarHBondContact O-N 3.43Å
12G45.2Very low51.4Low50 Ų50127.7 Ų127.752%0.51569%0.685SS.*PPolyproline II helixtrans-61148.6170.300000113
13P47.6Very low50.7Low127 Ų127135.3 Ų135.383%0.82571%0.706SS**PPolyproline II helixtrans-76124.5-16129.9-33.5000112.8
14Q43.8Very low49.5Very low168 Ų168139 Ų13979%0.78571%0.713SS**PPolyproline II helixtrans-85123.1165.9-81.4-69.1-15.900109.9Y16Q14-Y16 PolarHBondContact O-N 3.41Å
15P53.2Low48.4Very low103 Ų103142.7 Ų142.767%0.66973%0.727SS**  trans-95.781.7-177.536.2-29.2000109.8
16Y43.2Very low47.2Very low189 Ų189146.2 Ų146.274%0.74174%0.74SS**  trans-143.9111.6168.2-89.6-76.4000112.4Q14Q14-Y16 PolarHBondContact O-N 3.41Å
17F35.5Very low46.1Very low197 Ų197150.5 Ų150.586%0.86475%0.751SS**  trans83.9124.4163.9-62.1-76.8000120.1
18S34.2Very low45.1Very low109 Ų109151.7 Ų151.776%0.76276%0.759SS**  trans-83.1145.3-178.7-179.70000112.3
19S34.1Very low44.7Very low100 Ų100147.9 Ų147.970%0.69977%0.765SS**  162127.9118.1-730000113.7
20Y39.3Very low44.2Very low227 Ų227147.7 Ų147.789%0.8976%0.762SS**  trans50.1107.6144.3-88.2-98.8000120.7
21S33.4Very low43.5Very low106 Ų106153 Ų15374%0.74177%0.771SS**  170.8136.195.5-171.40000111.4
22P50.5Low43.6Very low96 Ų96151 Ų15162%0.62378%0.778SS**  trans-83.7170.5170.135.1-29.7000110.9
23Y44.5Very low43.1Very low220 Ų220155.7 Ų155.786%0.86378%0.784SS**  trans96.994.9175.8-68.4-88.1000117.5
24H42.1Very low43.2Very low176 Ų176159.1 Ų159.182%0.81579%0.791SS**  -162.381.3120.1-138.1-92.8000111.8
25H45.7Very low42.9Very low190 Ų190158.2 Ų158.288%0.8879%0.787SS**  trans-90.9104.7157.7-89-103.1000108.2
26Q42.3Very low42Very low171 Ų171160.4 Ų160.480%0.79979%0.793SS**  trans-169.2136.1149.2-127.7170.5-9.200112.2
27K49.5Very low42.2Very low181 Ų181156.1 Ų156.179%0.78779%0.789SS**  trans7297.8166.6-120.5170.1177179.40112.7
28L48.4Very low42.3Very low153 Ų153155.9 Ų155.980%0.80179%0.79SS**  -155.691.778.4-80.1151.2000109.8
29A48.9Very low42.5Very low99 Ų99159 Ų15982%0.81879%0.793SS**  trans-89.686151.500000106.4
30F48.1Very low42.8Very low158 Ų158163 Ų16369%0.69381%0.805SS**  trans-141.5129.3168.8-95.3-84.3000108.4
31Y37.2Very low42.7Very low225 Ų225156.7 Ų156.788%0.88280%0.795SS**  trans89.559.3-174.8-64.7-86.7000116.5
32S47.9Very low43Very low127 Ų127156.6 Ų156.689%0.88879%0.794SS**  trans-108.694.7142.9176.80000108.1
33K34.7Very low42.5Very low148 Ų148164 Ų16464%0.64381%0.809SS**  trans-146.390.3162-165.9178.4177.9179.10109E35K33-E35 HydrophobicContact CD-CB 4.43Å; K33-E35 VanDerWaalsContact CE-CB 3.45Å; K33-E35 WeakPolarHBondContact CE-OE1 3.31Å; K33-E35 VanDerWaalsContact CE-OE2 3.31Å; K33-E35 WeakPolarHBondContact CE-OE2 3.12Å; K33-E35 HydrophobicContact CG-CB 4.1Å; K33-E35 IonicContact NZ-OE1 3.92Å; K33-E35 PolarHBondContact NZ-OE1 2.92Å; K33-E35 IonicContact NZ-OE2 3.78Å
34M50.5Low42.4Very low198 Ų198162.1 Ų162.198%0.97581%0.814SS**  trans-81.5114.5149.6-80.1-171.7-75.800106.3
35E36.6Very low42Very low149 Ų149157.4 Ų157.470%0.69681%0.812SS**  trans-145.2120.8167-168.9174.983.600108K33K33-E35 HydrophobicContact CD-CB 4.43Å; K33-E35 VanDerWaalsContact CE-CB 3.45Å; K33-E35 WeakPolarHBondContact CE-OE1 3.31Å; K33-E35 VanDerWaalsContact CE-OE2 3.31Å; K33-E35 WeakPolarHBondContact CE-OE2 3.12Å; K33-E35 HydrophobicContact CG-CB 4.1Å; K33-E35 IonicContact NZ-OE1 3.92Å; K33-E35 PolarHBondContact NZ-OE1 2.92Å; K33-E35 IonicContact NZ-OE2 3.78Å
36N34.3Very low42.5Very low149 Ų149154.6 Ų154.680%0.79781%0.811SS**  trans-96.1-167.6-175.8-159.36.1000109.3
37P49.4Very low42.1Very low100 Ų100152.2 Ų152.265%0.64981%0.813SS**  -105.7152.2-113.935.7-18.5000114.2
38Q37.4Very low41.4Very low191 Ų191147 Ų14789%0.89381%0.811SS**  trans-160.7118157.7-116-177.1-58.900113.6
39E36.8Very low41.5Very low176 Ų176145.7 Ų145.782%0.82281%0.811SS**  trans26.7118.1135.9-69.8-110.3124.700119.5
40L41.4Very low41.1Very low182 Ų182146.4 Ų146.495%0.95381%0.808SS**  trans-159.3134.2132.5-109.2154000112.3
41S37.1Very low40.7Very low96 Ų96143.8 Ų143.867%0.67182%0.815SS**  trans-84.8147.2-167.5-179.20000113.7
42S39.1Very low40.7Very low104 Ų104140.6 Ų140.673%0.72781%0.812SS**  trans68.4128.4146.5-59.50000120.6
43R40.2Very low40.2Very low250 Ų250143.8 Ų143.894%0.94381%0.81SS**  -168.7148.7114.4-72.1-137177.7-139.4-4.5112.2
44L43.2Very low40.3Very low182 Ų182145.6 Ų145.695%0.95382%0.82SS**  trans-78156.9-167.9-63.3140.5000114.7
45G33.7Very low39.9Very low76 Ų76144.4 Ų144.478%0.78481%0.813SS**  trans-73.5-143.8-170.700000118.5
46P56Low40.5Very low131 Ų131143.6 Ų143.685%0.85181%0.813SS**  cis-138.6167.9-5.342.3-24.4000116.9
47S33.3Very low41.1Very low122 Ų122144.7 Ų144.785%0.85381%0.811SS**  trans173.5130.1139.867.30000112.1
48G36.1Very low41.4Very low72 Ų72148.3 Ų148.374%0.74282%0.819SS**  trans-82.1-161.9179.100000115.6
49P50.2Low42.4Very low124 Ų124145.2 Ų145.281%0.80581%0.808SS**  -107.7172.6-99.438.3-32.6000113.9
50P39.5Very low43.7Very low114 Ų114142.1 Ų142.174%0.7480%0.803SS**  -132.3132122.134.5-23.6000112.1I52P50-I52 WeakPolarHBondContact O-CG1 3.37Å; P50-I52 PolarHBondContact O-N 3.03Å
51A40Very low45.4Very low103 Ų103136.2 Ų136.285%0.85178%0.775SS**  trans4.283.2156.400000116
52I38Very low47.4Very low159 Ų159133.8 Ų133.882%0.81577%0.766SS**  trans-92111.3160.6-45.6177.2000104P50 E54P50-I52 WeakPolarHBondContact O-CG1 3.37Å; P50-I52 PolarHBondContact O-N 3.03Å; I52-E54 PolarHBondContact O-N 3.09Å
53K36.5Very low49.8Very low193 Ų193131.5 Ų131.584%0.83975%0.753SS**  trans-43114.5170.7-62.5170.5-178.6176.40106.7E55K53-E55 PolarHBondContact O-N 3.47Å
54E38.1Very low52.2Low186 Ų186124.9 Ų124.987%0.86973%0.733SS**  trans-63.288.6168-166.5173.7178.200104.6I52 D56I52-E54 PolarHBondContact O-N 3.09Å; E54-D56 PolarHBondContact O-N 3Å
55E42.1Very low54.6Low174 Ų174124.8 Ų124.881%0.81372%0.721SS**  trans-57.898.9160.4-171.8-177.4145.400103.1K53 K57K53-E55 PolarHBondContact O-N 3.47Å; E55-K57 PolarHBondContact O-N 2.82Å
56D47.4Very low57.6Low131 Ų131126 Ų12670%0.70171%0.709SS**  trans-50.791169.4-175.9-132.4000105.6E54 E58E54-D56 PolarHBondContact O-N 3Å; D56-E58 PolarHBondContact O-N 2.73Å
57K47.8Very low59.4Low173 Ų173123.2 Ų123.275%0.75269%0.693SS**  trans-72.185.8179180176.6179.3-175.10103.2E55 L59E55-K57 PolarHBondContact O-N 2.82Å; K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 WeakPolarHBondContact O-CA 3.32Å; K57-L59 PolarHBondContact O-N 3.35Å
58E56.6Low62.3Low176 Ų176123 Ų12382%0.82269%0.691SS**  trans-3295.7-179.7-167.2167.2166.400107.7D56D56-E58 PolarHBondContact O-N 2.73Å
59L56.4Low65.1Low125 Ų125131 Ų13165%0.65470%0.699SS**  trans-62.8134.3-170.5-76.7166.1000105K57K57-L59 VanDerWaalsContact C-N 3.27Å; K57-L59 WeakPolarHBondContact O-CA 3.32Å; K57-L59 PolarHBondContact O-N 3.35Å
60P65.3Low67.3Low111 Ų111127.7 Ų127.772%0.72168%0.678SS**  trans-47.9134.7178.3-25.532.1000109.1G62P60-G62 PolarHBondContact O-N 2.96Å
61P76.1Confident70Confident58 Ų58124.7 Ų124.738%0.37766%0.658SS.*  trans-44.8131.4177.8-29.333.5000109.8A63 T74 Y75P61-A63 PolarHBondContact O-N 3.08Å; P61-T74 WeakPolarHBondContact CA-O 3.48Å; P61-Y75 HydrophobicContact CB-CD1 3.89Å; P61-Y75 HydrophobicContact CB-CE1 3.79Å; P61-Y75 HydrophobicContact CG-CD1 3.73Å; P61-Y75 HydrophobicContact CG-CE1 3.5Å; P61-Y75 VanDerWaalsContact CG-CE1 3.5Å
62G79.4Confident72.6Confident45 Ų45123.4 Ų123.446%0.46464%0.636SS.*EExtended strand (participates in β ladder)trans-56.6108.2-177.200000108.9P60 F73 T74P60-G62 PolarHBondContact O-N 2.96Å; G62-F73 WeakPolarHBondContact O-CA 3.37Å; G62-T74 PolarHBondContact N-O 2.78Å; G62-T74 VanDerWaalsContact N-O 3.11Å; G62-T74 PolarHBondContact O-N 2.92Å
63A89.9Confident75.2Confident56 Ų56120.9 Ų120.946%0.46362%0.619SS.*EExtended strand (participates in β ladder)trans-102.8114.6-176.900000109.2P61 L72 F73P61-A63 PolarHBondContact O-N 3.08Å; A63-L72 CarbonylContact C-O 3.56Å; A63-L72 WeakPolarHBondContact CA-O 3.46Å; A63-F73 HydrophobicContact CB-CD1 3.77Å; A63-F73 HydrophobicContact CB-CE1 3.68Å
64E90.6Very high78Confident111 Ų111113.6 Ų113.652%0.51959%0.591SS.*EExtended strand (participates in β ladder)trans-115.2127.6-179.6-171.6-179.9170.100110L66 V71 L72E64-L66 HydrophobicContact CG-CD2 4.06Å; E64-V71 CarbonylContact O-C 3.54Å; E64-V71 WeakPolarHBondContact O-CA 3.18Å; E64-L72 HydrophobicContact CB-CB 4.44Å; E64-L72 PolarHBondContact N-O 3.01Å; E64-L72 PolarHBondContact O-N 2.96Å
65Y94.3Very high80.6Confident181 Ų181113.4 Ų113.471%0.7158%0.584SS**EExtended strand (participates in β ladder)trans-91.4106.7176.4-80-101.9000109.7V71Y65-V71 HydrophobicContact CD1-CG2 3.54Å; Y65-V71 HydrophobicContact CD2-CG1 4.2Å; Y65-V71 HydrophobicContact CE1-CB 4.48Å; Y65-V71 HydrophobicContact CE1-CG1 4.41Å; Y65-V71 HydrophobicContact CE1-CG2 3.3Å; Y65-V71 HydrophobicContact CE2-CG1 4.02Å; Y65-V71 HydrophobicContact CE2-CG2 4.39Å; Y65-V71 HydrophobicContact CG-CG1 4.46Å; Y65-V71 HydrophobicContact CG-CG2 4.19Å
66L95.4Very high82.9Confident101 Ų101109 Ų10953%0.52956%0.562SS.*EExtended strand (participates in β ladder)trans-84.4-33.6178.4-57.7-178.6000112E64 C70 L72E64-L66 HydrophobicContact CG-CD2 4.06Å; L66-C70 HydrophobicContact CB-CB 4.22Å; L66-C70 PolarHBondContact N-O 3.24Å; L66-L72 HydrophobicContact CD1-CB 4.38Å
67S94.7Very high85Confident72 Ų72110.8 Ų110.850%0.50357%0.566SS.*EExtended strand (participates in β ladder)trans-157.9172178.7-171.60000111R69 C70S67-R69 PolarHBondContact O-N 2.96Å; S67-C70 PolarHBondContact N-O 2.97Å; S67-C70 PolarHBondContact O-N 3.01Å; S67-C70 VanDerWaalsContact O-O 3.1Å
68S94.1Very high87Confident118 Ų118105 Ų10583%0.82556%0.555SS**THydrogen-bonded Turntrans-53.7-21.4174.761.30000114.4
69R95.8Very high88.8Confident239 Ų239102.1 Ų102.190%0.90255%0.546SS*.THydrogen-bonded Turntrans-118.78.2179.7-60.5-177.7-179.2163.60113.7S67S67-R69 PolarHBondContact O-N 2.96Å
70C94.6Very high90.6Very high56 Ų56101.5 Ų101.538%0.37854%0.542SS..EExtended strand (participates in β ladder)trans-138.2117.9-174.4-170.30000111.2L66 S67L66-C70 HydrophobicContact CB-CB 4.22Å; L66-C70 PolarHBondContact N-O 3.24Å; S67-C70 PolarHBondContact N-O 2.97Å; S67-C70 PolarHBondContact O-N 3.01Å; S67-C70 VanDerWaalsContact O-O 3.1Å
71V96Very high92.1Very high51 Ų51100.9 Ų100.931%0.30954%0.54SS..EExtended strand (participates in β ladder)trans-122.9126.3172.6-169.50000107.1E64 Y65 F73E64-V71 CarbonylContact O-C 3.54Å; E64-V71 WeakPolarHBondContact O-CA 3.18Å; Y65-V71 HydrophobicContact CD1-CG2 3.54Å; Y65-V71 HydrophobicContact CD2-CG1 4.2Å; Y65-V71 HydrophobicContact CE1-CB 4.48Å; Y65-V71 HydrophobicContact CE1-CG1 4.41Å; Y65-V71 HydrophobicContact CE1-CG2 3.3Å; Y65-V71 HydrophobicContact CE2-CG1 4.02Å; Y65-V71 HydrophobicContact CE2-CG2 4.39Å; Y65-V71 HydrophobicContact CG-CG1 4.46Å; Y65-V71 HydrophobicContact CG-CG2 4.19Å; V71-F73 HydrophobicContact CB-CE2 4.07Å; V71-F73 HydrophobicContact CB-CZ 4.43Å; V71-F73 HydrophobicContact CG1-CD2 4.36Å; V71-F73 HydrophobicContact CG1-CE1 4.29Å; V71-F73 HydrophobicContact CG1-CE2 3.74Å; V71-F73 HydrophobicContact CG1-CZ 3.7Å
72L95.1Very high93.1Very high76 Ų76102 Ų10240%0.39855%0.546SS..EExtended strand (participates in β ladder)trans-99.3123.8176.4176.862.3000108.6A63 E64 L66A63-L72 CarbonylContact C-O 3.56Å; A63-L72 WeakPolarHBondContact CA-O 3.46Å; E64-L72 HydrophobicContact CB-CB 4.44Å; E64-L72 PolarHBondContact N-O 3.01Å; E64-L72 PolarHBondContact O-N 2.96Å; L66-L72 HydrophobicContact CD1-CB 4.38Å
73F94.1Very high93.9Very high105 Ų105102.2 Ų102.246%0.46154%0.539SS..EExtended strand (participates in β ladder)trans-106.1119.6171.8-64.2-84.4000109.1G62 A63 V71 Y75G62-F73 WeakPolarHBondContact O-CA 3.37Å; A63-F73 HydrophobicContact CB-CD1 3.77Å; A63-F73 HydrophobicContact CB-CE1 3.68Å; V71-F73 HydrophobicContact CB-CE2 4.07Å; V71-F73 HydrophobicContact CB-CZ 4.43Å; V71-F73 HydrophobicContact CG1-CD2 4.36Å; V71-F73 HydrophobicContact CG1-CE1 4.29Å; V71-F73 HydrophobicContact CG1-CE2 3.74Å; V71-F73 HydrophobicContact CG1-CZ 3.7Å; F73-Y75 HydrophobicContact CB-CD2 4.42Å; F73-Y75 HydrophobicContact CB-CE2 3.62Å
74T93.6Very high94.2Very high40 Ų40102.7 Ų102.725%0.24554%0.536CS..EExtended strand (participates in β ladder)trans-101.5121.2178.3-63.10000109.7P61 G62 F76P61-T74 WeakPolarHBondContact CA-O 3.48Å; G62-T74 PolarHBondContact N-O 2.78Å; G62-T74 VanDerWaalsContact N-O 3.11Å; G62-T74 PolarHBondContact O-N 2.92Å; T74-F76 HydrophobicContact CG2-CD1 3.71Å; T74-F76 HydrophobicContact CG2-CD2 4.33Å; T74-F76 HydrophobicContact CG2-CE1 3.4Å; T74-F76 HydrophobicContact CG2-CE2 4.05Å; T74-F76 HydrophobicContact CG2-CG 4.14Å; T74-F76 HydrophobicContact CG2-CZ 3.53Å
75Y93.3Very high94.4Very high182 Ų182102.3 Ų102.371%0.71454%0.537SS*.  trans-107-3.9-176.5-64.9-86.8000113.7P61 F73P61-Y75 HydrophobicContact CB-CD1 3.89Å; P61-Y75 HydrophobicContact CB-CE1 3.79Å; P61-Y75 HydrophobicContact CG-CD1 3.73Å; P61-Y75 HydrophobicContact CG-CE1 3.5Å; P61-Y75 VanDerWaalsContact CG-CE1 3.5Å; F73-Y75 HydrophobicContact CB-CD2 4.42Å; F73-Y75 HydrophobicContact CB-CE2 3.62Å
76F91.3Very high94.5Very high81 Ų8198.6 Ų98.636%0.35553%0.526SS..  trans-97.8152.2172.268.4-94.6000109.3T74 I80 V83T74-F76 HydrophobicContact CG2-CD1 3.71Å; T74-F76 HydrophobicContact CG2-CD2 4.33Å; T74-F76 HydrophobicContact CG2-CE1 3.4Å; T74-F76 HydrophobicContact CG2-CE2 4.05Å; T74-F76 HydrophobicContact CG2-CG 4.14Å; T74-F76 HydrophobicContact CG2-CZ 3.53Å; F76-I80 HydrophobicContact CE1-CG1 4.43Å; F76-I80 HydrophobicContact CE2-CG1 3.71Å; F76-I80 HydrophobicContact CZ-CB 4.39Å; F76-I80 HydrophobicContact CZ-CD1 4.36Å; F76-I80 HydrophobicContact CZ-CG1 3.39Å; F76-V83 HydrophobicContact CB-CG1 4.15Å; F76-V83 HydrophobicContact CB-CG2 4.11Å; F76-V83 HydrophobicContact CD2-CB 4.46Å; F76-V83 HydrophobicContact CD2-CG2 3.79Å; F76-V83 HydrophobicContact CG-CG1 4.26Å; F76-V83 HydrophobicContact CG-CG2 4.14Å
77Q90.5Very high94.5Very high169 Ų16999.9 Ų99.979%0.7953%0.529SS*.  trans-110.3139.2176.3-166.56251.500109.3
78G89.3Confident94.5Very high51 Ų51102 Ų10253%0.52653%0.529SS..SBendtrans97.7-159.7178.400000114.3
79D94.7Very high94.5Very high117 Ų11799.3 Ų99.363%0.62651%0.511SS*.  trans-73.8133.4-176-70-19.8000112.1S81 T82 V83D79-S81 VanDerWaalsContact C-N 3.25Å; D79-S81 PolarHBondContact O-N 2.85Å; D79-T82 HydrophobicContact CB-CG2 4.15Å; D79-T82 PolarHBondContact O-N 2.84Å; D79-T82 PolarHBondContact O-OG1 2.79Å; D79-V83 PolarHBondContact O-N 3.01Å
80I94.8Very high94.4Very high112 Ų11295.3 Ų95.357%0.57450%0.496SS*.Hα-helixtrans-56.9-42.7177.5-64.1157.9000110.9F76 T82 V83 V84F76-I80 HydrophobicContact CE1-CG1 4.43Å; F76-I80 HydrophobicContact CE2-CG1 3.71Å; F76-I80 HydrophobicContact CZ-CB 4.39Å; F76-I80 HydrophobicContact CZ-CD1 4.36Å; F76-I80 HydrophobicContact CZ-CG1 3.39Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 2.86Å; I80-V83 PolarHBondContact O-N 2.77Å; I80-V84 HydrophobicContact CG2-CG2 4Å; I80-V84 WeakPolarHBondContact O-CB 3.45Å; I80-V84 VanDerWaalsContact O-CG2 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 2.91Å
81S96.6Very high94.3Very high97 Ų9795.2 Ų95.268%0.67850%0.499SS*.Hα-helixtrans-59.9-38.4-176.8-55.80000112.3D79 D85D79-S81 VanDerWaalsContact C-N 3.25Å; D79-S81 PolarHBondContact O-N 2.85Å; S81-D85 VanDerWaalsContact O-CB 3.23Å; S81-D85 WeakPolarHBondContact O-CB 3.19Å; S81-D85 PolarHBondContact O-N 2.84Å
82T96.2Very high94Very high81 Ų8198.5 Ų98.550%0.49751%0.514SS..Hα-helixtrans-75.4-39.5-179.159.90000111.4D79 I80 V84 D85 E86D79-T82 HydrophobicContact CB-CG2 4.15Å; D79-T82 PolarHBondContact O-N 2.84Å; D79-T82 PolarHBondContact O-OG1 2.79Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 2.86Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 2.97Å; T82-D85 PolarHBondContact O-N 2.88Å; T82-E86 WeakPolarHBondContact O-CB 3.43Å; T82-E86 PolarHBondContact O-N 3.23Å
83V96.2Very high93.4Very high51 Ų5198 Ų9831%0.30952%0.517SS..Hα-helixtrans-63-42.2175175.40000111F76 D79 I80 H87F76-V83 HydrophobicContact CB-CG1 4.15Å; F76-V83 HydrophobicContact CB-CG2 4.11Å; F76-V83 HydrophobicContact CD2-CB 4.46Å; F76-V83 HydrophobicContact CD2-CG2 3.79Å; F76-V83 HydrophobicContact CG-CG1 4.26Å; F76-V83 HydrophobicContact CG-CG2 4.14Å; D79-V83 PolarHBondContact O-N 3.01Å; I80-V83 PolarHBondContact O-N 2.77Å; V83-H87 PolarHBondContact O-N 3.03Å; V83-H87 VanDerWaalsContact O-N 3.09Å
84V96.5Very high92.2Very high66 Ų6698 Ų9840%0.452%0.518SS..Hα-helixtrans-65.6-46.9175.2172.30000110.5I80 T82 E86 H87 F88I80-V84 HydrophobicContact CG2-CG2 4Å; I80-V84 WeakPolarHBondContact O-CB 3.45Å; I80-V84 VanDerWaalsContact O-CG2 3.24Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 2.91Å; T82-V84 VanDerWaalsContact C-N 3.33Å; T82-V84 PolarHBondContact O-N 2.97Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 2.85Å; V84-H87 WeakPolarHBondContact O-CB 3.22Å; V84-H87 PolarHBondContact O-N 3.29Å; V84-H87 VanDerWaalsContact O-N 3.11Å; V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 3.54Å; V84-F88 VanDerWaalsContact O-CD2 3.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.34Å; V84-F88 PolarHBondContact O-N 2.77Å
85D96.1Very high90.8Very high102 Ų102100.6 Ų100.655%0.54553%0.534SS..Hα-helixtrans-63-38.1179-171.254.5000112.6S81 T82 H87 F88 S89S81-D85 VanDerWaalsContact O-CB 3.23Å; S81-D85 WeakPolarHBondContact O-CB 3.19Å; S81-D85 PolarHBondContact O-N 2.84Å; T82-D85 PolarHBondContact O-N 2.88Å; D85-H87 VanDerWaalsContact C-N 3.33Å; D85-H87 PolarHBondContact O-N 2.92Å; D85-F88 PolarHBondContact O-N 3.32Å; D85-S89 VanDerWaalsContact O-CB 3.25Å; D85-S89 WeakPolarHBondContact O-CB 3.44Å; D85-S89 PolarHBondContact O-N 3.07Å; D85-S89 PolarHBondContact O-OG 3.11Å
86E95.9Very high89.1Confident104 Ų10496.5 Ų96.549%0.48653%0.532SS..Hα-helixtrans-60.4-44.1172.1-167.5-154.4130.400110.8T82 V84 S89 R90T82-E86 WeakPolarHBondContact O-CB 3.43Å; T82-E86 PolarHBondContact O-N 3.23Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 2.85Å; E86-S89 PolarHBondContact O-N 2.96Å; E86-R90 HydrophobicContact CG-CG 4.45Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.33Å; E86-R90 VanDerWaalsContact O-CG 3.23Å; E86-R90 WeakPolarHBondContact O-CG 3.24Å; E86-R90 PolarHBondContact O-N 2.73Å; E86-R90 WeakPolarHBondContact OE1-CD 3.23Å; E86-R90 IonicContact OE1-CZ 3.09Å; E86-R90 IonicContact OE1-NE 2.86Å; E86-R90 IonicContact OE1-NH1 3.51Å; E86-R90 PolarHBondContact OE1-NH1 2.97Å
87H95.1Very high87.4Confident127 Ų12795.9 Ų95.959%0.58854%0.542SS*.Hα-helixtrans-59.5-47.5176.4177.986.7000111.8V83 V84 D85 R90 A91V83-H87 PolarHBondContact O-N 3.03Å; V83-H87 VanDerWaalsContact O-N 3.09Å; V84-H87 WeakPolarHBondContact O-CB 3.22Å; V84-H87 PolarHBondContact O-N 3.29Å; V84-H87 VanDerWaalsContact O-N 3.11Å; D85-H87 VanDerWaalsContact C-N 3.33Å; D85-H87 PolarHBondContact O-N 2.92Å; H87-R90 PolarHBondContact O-N 3.42Å; H87-A91 WeakPolarHBondContact O-CB 3.24Å; H87-A91 PolarHBondContact O-N 3.07Å
88F95.4Very high85.8Confident116 Ų11695.6 Ų95.651%0.50954%0.535SS..Hα-helixtrans-64.6-45.4177.6-82.9-79.7000112.1V84 D85 R90 A91 L92V84-F88 HydrophobicContact CG1-CD2 3.68Å; V84-F88 HydrophobicContact CG1-CE2 3.54Å; V84-F88 VanDerWaalsContact O-CD2 3.24Å; V84-F88 WeakPolarHBondContact O-CD2 3.34Å; V84-F88 PolarHBondContact O-N 2.77Å; D85-F88 PolarHBondContact O-N 3.32Å; F88-R90 VanDerWaalsContact C-N 3.31Å; F88-R90 PolarHBondContact O-N 3.3Å; F88-A91 PolarHBondContact O-N 3.18Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 WeakPolarHBondContact O-CG 3.35Å; F88-L92 PolarHBondContact O-N 2.98Å
89S94.6Very high84.1Confident62 Ų62100.2 Ų100.243%0.43455%0.547SS..Hα-helixtrans-58.8-43.5177-690000111.3D85 E86 S93D85-S89 VanDerWaalsContact O-CB 3.25Å; D85-S89 WeakPolarHBondContact O-CB 3.44Å; D85-S89 PolarHBondContact O-N 3.07Å; D85-S89 PolarHBondContact O-OG 3.11Å; E86-S89 PolarHBondContact O-N 2.96Å; S89-S93 WeakPolarHBondContact O-CB 3.47Å; S89-S93 PolarHBondContact O-N 2.88Å; S89-S93 PolarHBondContact O-OG 3.27Å
90R92.1Very high81.8Confident156 Ų156100 Ų10059%0.58955%0.55SS*.Hα-helixtrans-66.9-39.7175.4-74.2170.464.6-177-0.7112.6E86 H87 F88 S93 Q94E86-R90 HydrophobicContact CG-CG 4.45Å; E86-R90 VanDerWaalsContact O-CB 3.31Å; E86-R90 WeakPolarHBondContact O-CB 3.33Å; E86-R90 VanDerWaalsContact O-CG 3.23Å; E86-R90 WeakPolarHBondContact O-CG 3.24Å; E86-R90 PolarHBondContact O-N 2.73Å; E86-R90 WeakPolarHBondContact OE1-CD 3.23Å; E86-R90 IonicContact OE1-CZ 3.09Å; E86-R90 IonicContact OE1-NE 2.86Å; E86-R90 IonicContact OE1-NH1 3.51Å; E86-R90 PolarHBondContact OE1-NH1 2.97Å; H87-R90 PolarHBondContact O-N 3.42Å; F88-R90 VanDerWaalsContact C-N 3.31Å; F88-R90 PolarHBondContact O-N 3.3Å; R90-S93 WeakPolarHBondContact CA-OG 3.36Å; R90-S93 PolarHBondContact O-OG 3.09Å; R90-S93 VanDerWaalsContact O-OG 3.11Å; R90-Q94 WeakPolarHBondContact O-CG 3.21Å
91A92.5Very high79.6Confident53 Ų53100.9 Ų100.944%0.43856%0.563SS.*Hα-helixtrans-68.2-40.1178.600000112.3H87 F88H87-A91 WeakPolarHBondContact O-CB 3.24Å; H87-A91 PolarHBondContact O-N 3.07Å; F88-A91 PolarHBondContact O-N 3.18Å
92L89.4Confident77.5Confident120 Ų120101.2 Ų101.263%0.62857%0.565SS**Hα-helixtrans-85.1-30.3-175.8-65175.3000113.5F88 Q94 T95F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 WeakPolarHBondContact O-CG 3.35Å; F88-L92 PolarHBondContact O-N 2.98Å; L92-Q94 PolarHBondContact O-N 2.9Å; L92-T95 WeakPolarHBondContact O-CB 3.31Å; L92-T95 PolarHBondContact O-N 3.32Å; L92-T95 VanDerWaalsContact O-N 3.15Å; L92-T95 PolarHBondContact O-OG1 3.27Å
93S82.8Confident74.9Confident66 Ų66100.3 Ų100.346%0.46257%0.572SS.*Hα-helixtrans-62.3-26.9176.652.50000113.2S89 R90 T95 S96S89-S93 WeakPolarHBondContact O-CB 3.47Å; S89-S93 PolarHBondContact O-N 2.88Å; S89-S93 PolarHBondContact O-OG 3.27Å; R90-S93 WeakPolarHBondContact CA-OG 3.36Å; R90-S93 PolarHBondContact O-OG 3.09Å; R90-S93 VanDerWaalsContact O-OG 3.11Å; S93-T95 PolarHBondContact O-N 3.32Å; S93-S96 PolarHBondContact O-N 2.69Å
94Q69.5Low72.7Confident105 Ų105105.7 Ų105.749%0.49160%0.599SS.*G310 helixtrans-61-30.6175.9-57.8-56.9-37.400112.4R90 L92 S96 A97 Y98R90-Q94 WeakPolarHBondContact O-CG 3.21Å; L92-Q94 PolarHBondContact O-N 2.9Å; Q94-S96 PolarHBondContact O-N 2.76Å; Q94-A97 WeakPolarHBondContact O-CB 3.45Å; Q94-A97 PolarHBondContact O-N 2.92Å; Q94-Y98 HydrophobicContact CB-CE2 4.27Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.5Å; Q94-Y98 WeakPolarHBondContact O-CE2 3.14Å
95T63.7Low70.5Confident94 Ų94112 Ų11258%0.57762%0.621SS**G310 helixtrans-62.6-30.7-180-53.50000112L92 S93 A97L92-T95 WeakPolarHBondContact O-CB 3.31Å; L92-T95 PolarHBondContact O-N 3.32Å; L92-T95 VanDerWaalsContact O-N 3.15Å; L92-T95 PolarHBondContact O-OG1 3.27Å; S93-T95 PolarHBondContact O-N 3.32Å; T95-A97 VanDerWaalsContact C-N 3.28Å; T95-A97 PolarHBondContact O-N 3.3Å
96S57.3Low68.4Low97 Ų97111.3 Ų111.368%0.67863%0.63SS**G310 helixtrans-72.4-19.8177.4-170.10000113.3S93 Q94S93-S96 PolarHBondContact O-N 2.69Å; Q94-S96 PolarHBondContact O-N 2.76Å
97A56.8Low66Low68 Ų68111.8 Ų111.856%0.56264%0.642SS**G310 helixtrans-83.9-19-177.500000113.5Q94 T95 L99Q94-A97 WeakPolarHBondContact O-CB 3.45Å; Q94-A97 PolarHBondContact O-N 2.92Å; T95-A97 VanDerWaalsContact C-N 3.28Å; T95-A97 PolarHBondContact O-N 3.3Å; A97-L99 VanDerWaalsContact C-N 3.26Å; A97-L99 PolarHBondContact O-N 2.88Å
98Y56Low64Low162 Ų162117.3 Ų117.364%0.63566%0.657SS**G310 helixtrans-75.8-9.3-179.5-64.2-81.4000114.2Q94Q94-Y98 HydrophobicContact CB-CE2 4.27Å; Q94-Y98 WeakPolarHBondContact O-CD2 3.5Å; Q94-Y98 WeakPolarHBondContact O-CE2 3.14Å
99L54.4Low62.1Low149 Ų149119 Ų11978%0.7867%0.672SS**G310 helixtrans-952.6-177.9-65.3179.3000114.5A97 P101A97-L99 VanDerWaalsContact C-N 3.26Å; A97-L99 PolarHBondContact O-N 2.88Å; L99-P101 WeakPolarHBondContact O-CD 3.4Å
100T45.2Very low60.5Low111 Ų111119.1 Ų119.168%0.68168%0.683SS**  trans-103.699.1174.4-100.90000110.4S102T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 WeakPolarHBondContact CG2-O 3.35Å; T100-S102 PolarHBondContact O-N 3.23Å
101P49.2Very low59.6Low131 Ų131115.4 Ų115.485%0.85168%0.681SS**  trans-89.937.1173.137-36.5000112.1L99L99-P101 WeakPolarHBondContact O-CD 3.4Å
102S51.8Low59.1Low104 Ų104119.8 Ų119.873%0.72769%0.69SS**  trans-162.7130.8178.1-169.90000113.4T100T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 WeakPolarHBondContact CG2-O 3.35Å; T100-S102 PolarHBondContact O-N 3.23Å
103G43.6Very low59Low62 Ų62116 Ų11664%0.63967%0.672SS**  trans110.873.6155.900000116.2K105G103-K105 PolarHBondContact O-N 3Å
104N48.7Very low59.3Low165 Ų165116.6 Ų116.688%0.88267%0.669SS**SBendtrans27.255.3137.7-58.6-0.7000119
105K51.5Low60.1Low198 Ų198115.7 Ų115.786%0.86168%0.675SS**  trans-16780.6143.3-71.1-151.4-176.71710108.3G103G103-K105 PolarHBondContact O-N 3Å
106A50.2Low61.4Low88 Ų88117.5 Ų117.573%0.72768%0.677SS**  trans-64.3127.9168.200000108.9R108A106-R108 PolarHBondContact O-N 3.47Å
107P47.3Very low62.9Low114 Ų114117.9 Ų117.974%0.7466%0.663SS**  trans-59.6123.9165.623.9-29.1000107.6D109P107-D109 PolarHBondContact O-N 3.16Å
108R52.4Low64.6Low242 Ų242120.7 Ų120.791%0.91368%0.678SS**THydrogen-bonded Turntrans-6915.8-163.6-95.6-177.8-179.8177.5-0.6116A106A106-R108 PolarHBondContact O-N 3.47Å
109D54.6Low66.4Low153 Ų153116.8 Ų116.882%0.81867%0.665SS**THydrogen-bonded Turntrans-120.121.9-175.5-52-43000112.3P107 S111P107-D109 PolarHBondContact O-N 3.16Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.4Å
110G61.5Low68.3Low64 Ų64113.1 Ų113.166%0.6665%0.65SS**  trans-70.381.4177.300000112F112G110-F112 PolarHBondContact O-N 3.24Å
111S73.1Confident70.4Confident78 Ų78111.8 Ų111.855%0.54564%0.643SS.*PPolyproline II helixtrans-57.1129.9166.8159.70000109.7D109 R117D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.4Å; S111-R117 PolarHBondContact OG-NH2 3Å
112F81.4Confident72.5Confident144 Ų144108.3 Ų108.363%0.63262%0.622SS**PPolyproline II helixtrans-53.9134.7171.8-61.7-79.3000110.4G110 R117G110-F112 PolarHBondContact O-N 3.24Å; F112-R117 PolarHBondContact O-NE 3.41Å; F112-R117 VanDerWaalsContact O-NE 3.15Å; F112-R117 PolarHBondContact O-NH2 2.98Å
113P87.9Confident74.5Confident40 Ų40108.1 Ų108.126%0.2661%0.608SS.*PPolyproline II helixtrans-58147.7174.627.8-35.6000108.8S115 Q116P113-S115 PolarHBondContact O-N 2.78Å; P113-Q116 HydrophobicContact CG-CB 4.07Å; P113-Q116 VanDerWaalsContact CG-CD 3.43Å; P113-Q116 HydrophobicContact CG-CG 3.69Å; P113-Q116 PolarHBondContact O-N 3.43Å
114M88.7Confident76.9Confident79 Ų79112 Ų11239%0.38960%0.604SS.*G310 helixtrans-57.4-28.4-175.5-164.972.265.700111.9Q116 R117 F119 F123 W124M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 3.15Å; M114-R117 WeakPolarHBondContact O-CB 3.23Å; M114-R117 PolarHBondContact O-N 3.04Å; M114-F119 HydrophobicContact CG-CD2 4.25Å; M114-F119 HydrophobicContact CG-CE2 3.83Å; M114-F119 HydrophobicContact SD-CD2 4.16Å; M114-F119 HydrophobicContact SD-CE2 3.19Å; M114-F119 WeakPolarHBondContact SD-CE2 3.39Å; M114-F119 HydrophobicContact SD-CZ 3.55Å; M114-F119 VanDerWaalsContact SD-CZ 3.55Å; M114-F123 HydrophobicContact CG-CE1 3.64Å; M114-F123 HydrophobicContact CG-CZ 3.86Å; M114-F123 HydrophobicContact SD-CE1 4.5Å; M114-F123 HydrophobicContact SD-CZ 4.17Å; M114-W124 VanDerWaalsContact C-CZ2 3.48Å; M114-W124 HydrophobicContact CB-CH2 3.69Å; M114-W124 HydrophobicContact CB-CZ2 3.9Å; M114-W124 HydrophobicContact CG-CH2 3.67Å; M114-W124 HydrophobicContact CG-CZ2 3.68Å
115S87.8Confident79Confident87 Ų87108 Ų10861%0.60858%0.582SS**G310 helixtrans-67-23.617656.80000115.2P113 R117P113-S115 PolarHBondContact O-N 2.78Å; S115-R117 VanDerWaalsContact C-N 3.34Å
116Q89.1Confident80.8Confident132 Ų132104.8 Ų104.862%0.61759%0.585SS**G310 helixtrans-89.3-5.5176.7-72.8176.5900112.7P113 M114P113-Q116 HydrophobicContact CG-CB 4.07Å; P113-Q116 VanDerWaalsContact CG-CD 3.43Å; P113-Q116 HydrophobicContact CG-CG 3.69Å; P113-Q116 PolarHBondContact O-N 3.43Å; M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 3.15Å
117R90.8Very high82.8Confident105 Ų105105.1 Ų105.140%0.39658%0.582SS.*SBendtrans-89147.4177.7-58177.4-177-156.4-1.7109.1S111 F112 M114 S115 F119S111-R117 PolarHBondContact OG-NH2 3Å; F112-R117 PolarHBondContact O-NE 3.41Å; F112-R117 VanDerWaalsContact O-NE 3.15Å; F112-R117 PolarHBondContact O-NH2 2.98Å; M114-R117 WeakPolarHBondContact O-CB 3.23Å; M114-R117 PolarHBondContact O-N 3.04Å; S115-R117 VanDerWaalsContact C-N 3.34Å; R117-F119 HydrophobicContact CB-CD2 3.72Å; R117-F119 HydrophobicContact CB-CE2 3.39Å; R117-F119 HydrophobicContact CB-CZ 4.39Å; R117-F119 HydrophobicContact CG-CE2 4.23Å; R117-F119 PolarHBondContact O-N 2.86Å
118S91.6Very high84.8Confident126 Ų126104.4 Ų104.488%0.88157%0.565SS**  trans-73.589178.258.30000111
119F94.2Very high86.2Confident80 Ų80100.4 Ų100.435%0.35156%0.557SS.*  trans-111.3150.6170.9-72-72.7000111M114 R117 F123M114-F119 HydrophobicContact CG-CD2 4.25Å; M114-F119 HydrophobicContact CG-CE2 3.83Å; M114-F119 HydrophobicContact SD-CD2 4.16Å; M114-F119 HydrophobicContact SD-CE2 3.19Å; M114-F119 WeakPolarHBondContact SD-CE2 3.39Å; M114-F119 HydrophobicContact SD-CZ 3.55Å; M114-F119 VanDerWaalsContact SD-CZ 3.55Å; R117-F119 HydrophobicContact CB-CD2 3.72Å; R117-F119 HydrophobicContact CB-CE2 3.39Å; R117-F119 HydrophobicContact CB-CZ 4.39Å; R117-F119 HydrophobicContact CG-CE2 4.23Å; R117-F119 PolarHBondContact O-N 2.86Å; F119-F123 HydrophobicContact CB-CB 3.8Å; F119-F123 HydrophobicContact CB-CD1 4.12Å; F119-F123 HydrophobicContact CB-CD2 4.41Å; F119-F123 HydrophobicContact CB-CG 3.86Å; F119-F123 AromaticContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CE2 4.12Å; F119-F123 HydrophobicContact CD1-CG 4.17Å; F119-F123 HydrophobicContact CD2-CD1 4.42Å; F119-F123 HydrophobicContact CD2-CE1 4.4Å; F119-F123 HydrophobicContact CE1-CD2 4.38Å; F119-F123 HydrophobicContact CE1-CE2 4.19Å; F119-F123 HydrophobicContact CG-CB 4.44Å; F119-F123 HydrophobicContact CG-CD1 4.16Å; F119-F123 HydrophobicContact CG-CD2 4.15Å; F119-F123 HydrophobicContact CG-CE1 4.48Å; F119-F123 HydrophobicContact CG-CE2 4.47Å; F119-F123 AromaticContact CG-CG 3.99Å; F119-F123 HydrophobicContact CG-CG 3.99Å
120P93.4Very high87.3Confident73 Ų7397.4 Ų97.447%0.47455%0.546SS..  trans-62.6152.9173.728.4-35.2000110.5S122 F123P120-S122 PolarHBondContact O-N 3Å; P120-F123 HydrophobicContact CG-CB 4.48Å; P120-F123 WeakPolarHBondContact O-CB 3.25Å; P120-F123 PolarHBondContact O-N 3.42Å
121P89.4Confident87.7Confident82 Ų8298.3 Ų98.353%0.53255%0.547SS..G310 helixtrans-56.2-27.2178.3-26.635000114.2F123 W124 N125 Y128P121-F123 PolarHBondContact O-N 3.09Å; P121-W124 PolarHBondContact O-N 3.47Å; P121-N125 WeakPolarHBondContact O-CB 3.39Å; P121-N125 PolarHBondContact O-N 3.33Å; P121-Y128 HydrophobicContact CB-CD2 3.98Å; P121-Y128 HydrophobicContact CB-CE2 3.84Å; P121-Y128 HydrophobicContact CG-CE2 4.36Å
122S92.5Very high86.8Confident59 Ų59100.6 Ų100.641%0.41356%0.557SS.*G310 helixtrans-62.6-22.9174.355.10000114.2P120 W124P120-S122 PolarHBondContact O-N 3Å; S122-W124 PolarHBondContact O-N 2.9Å
123F95.1Very high85.1Confident99 Ų9998.6 Ų98.643%0.43456%0.561SS.*G310 helixtrans-65.4-31.4175.7-175-88.7000111.9M114 F119 P120 P121M114-F123 HydrophobicContact CG-CE1 3.64Å; M114-F123 HydrophobicContact CG-CZ 3.86Å; M114-F123 HydrophobicContact SD-CE1 4.5Å; M114-F123 HydrophobicContact SD-CZ 4.17Å; F119-F123 HydrophobicContact CB-CB 3.8Å; F119-F123 HydrophobicContact CB-CD1 4.12Å; F119-F123 HydrophobicContact CB-CD2 4.41Å; F119-F123 HydrophobicContact CB-CG 3.86Å; F119-F123 AromaticContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CD2 3.87Å; F119-F123 HydrophobicContact CD1-CE2 4.12Å; F119-F123 HydrophobicContact CD1-CG 4.17Å; F119-F123 HydrophobicContact CD2-CD1 4.42Å; F119-F123 HydrophobicContact CD2-CE1 4.4Å; F119-F123 HydrophobicContact CE1-CD2 4.38Å; F119-F123 HydrophobicContact CE1-CE2 4.19Å; F119-F123 HydrophobicContact CG-CB 4.44Å; F119-F123 HydrophobicContact CG-CD1 4.16Å; F119-F123 HydrophobicContact CG-CD2 4.15Å; F119-F123 HydrophobicContact CG-CE1 4.48Å; F119-F123 HydrophobicContact CG-CE2 4.47Å; F119-F123 AromaticContact CG-CG 3.99Å; F119-F123 HydrophobicContact CG-CG 3.99Å; P120-F123 HydrophobicContact CG-CB 4.48Å; P120-F123 WeakPolarHBondContact O-CB 3.25Å; P120-F123 PolarHBondContact O-N 3.42Å; P121-F123 PolarHBondContact O-N 3.09Å
124W94.8Very high83.3Confident144 Ų144101.8 Ų101.855%0.54558%0.584SS.*THydrogen-bonded Turntrans-104-25.6-177.6-61.5110.6000113.4M114 P121 S122M114-W124 VanDerWaalsContact C-CZ2 3.48Å; M114-W124 HydrophobicContact CB-CH2 3.69Å; M114-W124 HydrophobicContact CB-CZ2 3.9Å; M114-W124 HydrophobicContact CG-CH2 3.67Å; M114-W124 HydrophobicContact CG-CZ2 3.68Å; P121-W124 PolarHBondContact O-N 3.47Å; S122-W124 PolarHBondContact O-N 2.9Å
125N90.9Very high81.5Confident81 Ų81104.2 Ų104.243%0.43360%0.604SS.*  trans-111.3105.1-175-172.4-17.7000111.1P121 S127 Y128P121-N125 WeakPolarHBondContact O-CB 3.39Å; P121-N125 PolarHBondContact O-N 3.33Å; N125-S127 PolarHBondContact O-N 3.11Å; N125-S127 WeakPolarHBondContact OD1-CA 3.11Å; N125-S127 WeakPolarHBondContact OD1-CB 3.46Å; N125-S127 PolarHBondContact OD1-N 3.43Å; N125-Y128 WeakPolarHBondContact O-CB 3.02Å; N125-Y128 PolarHBondContact O-N 2.83Å; N125-Y128 VanDerWaalsContact O-N 3.07Å; N125-Y128 PolarHBondContact OD1-N 2.9Å
126S90.7Very high79.8Confident131 Ų131109 Ų10992%0.91662%0.622SS**THydrogen-bonded Turntrans-62.8-25.9176.4-50.30000113.6Y128S126-Y128 VanDerWaalsContact C-N 3.29Å
127S91.4Very high77.7Confident95 Ų95105.8 Ų105.866%0.66462%0.624SS**THydrogen-bonded Turntrans-92.513.7177.7-56.70000112.4N125 Q129N125-S127 PolarHBondContact O-N 3.11Å; N125-S127 WeakPolarHBondContact OD1-CA 3.11Å; N125-S127 WeakPolarHBondContact OD1-CB 3.46Å; N125-S127 PolarHBondContact OD1-N 3.43Å; S127-Q129 PolarHBondContact O-N 3.33Å
128Y88.9Confident75.5Confident99 Ų99105.1 Ų105.139%0.38865%0.65SS.*  trans-61102.5177.9-174.7-94.1000109.8P121 N125 S126 P130P121-Y128 HydrophobicContact CB-CD2 3.98Å; P121-Y128 HydrophobicContact CB-CE2 3.84Å; P121-Y128 HydrophobicContact CG-CE2 4.36Å; N125-Y128 WeakPolarHBondContact O-CB 3.02Å; N125-Y128 PolarHBondContact O-N 2.83Å; N125-Y128 VanDerWaalsContact O-N 3.07Å; N125-Y128 PolarHBondContact OD1-N 2.9Å; S126-Y128 VanDerWaalsContact C-N 3.29Å; Y128-P130 HydrophobicContact CD1-CG 4.5Å; Y128-P130 HydrophobicContact CE1-CB 4.29Å; Y128-P130 HydrophobicContact CE1-CG 4.28Å
129Q83.4Confident73.2Confident158 Ų158103.3 Ų103.374%0.73864%0.642SS**  trans-83.3121.9161.9-63.7-60.7-35.500106S127 A131S127-Q129 PolarHBondContact O-N 3.33Å; Q129-A131 PolarHBondContact O-N 3.49Å
130P77.8Confident71.1Confident89 Ų89107.4 Ų107.458%0.57867%0.667SS**  trans-52.8117.5167.3-18.729.7000106.7Y128 V132Y128-P130 HydrophobicContact CD1-CG 4.5Å; Y128-P130 HydrophobicContact CE1-CB 4.29Å; Y128-P130 HydrophobicContact CE1-CG 4.28Å; P130-V132 VanDerWaalsContact C-N 3.33Å; P130-V132 PolarHBondContact O-N 3.42Å
131A67.9Low68.9Low84 Ų84109.9 Ų109.969%0.69469%0.686SS**  trans-59107.9169.300000105.4Q129 S133Q129-A131 PolarHBondContact O-N 3.49Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.05Å
132V55.9Low66.4Low125 Ų125109.8 Ų109.876%0.75869%0.692SS**  trans-58.4106.8163-65.70000104.3P130 S134P130-V132 VanDerWaalsContact C-N 3.33Å; P130-V132 PolarHBondContact O-N 3.42Å; V132-S134 VanDerWaalsContact C-N 3.25Å; V132-S134 PolarHBondContact O-N 2.93Å
133S44.2Very low64.2Low103 Ų103112.7 Ų112.772%0.7271%0.71SS**  trans-61.296.8175.2-75.20000107.5A131 T135A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.05Å; S133-T135 PolarHBondContact O-N 3.25Å
134S50.6Low61.7Low106 Ų106117.5 Ų117.574%0.74173%0.733SS**SBendtrans-64.481.6160.6-54.20000107.2V132V132-S134 VanDerWaalsContact C-N 3.25Å; V132-S134 PolarHBondContact O-N 2.93Å
135T50.9Low59.2Low130 Ų130114.3 Ų114.380%0.79874%0.738SS**SBendtrans173.6102.6154.328.30000108S133S133-T135 PolarHBondContact O-N 3.25Å
136L52.2Low56.9Low188 Ų188117.7 Ų117.798%0.98476%0.756SS**SBendtrans84.135.1167.2-143.273.3000119.9
137G44.3Very low54.5Low64 Ų64117.7 Ų117.766%0.6674%0.744SS**  trans-140.831.6171.800000114.9A139G137-A139 VanDerWaalsContact C-N 3.26Å; G137-A139 PolarHBondContact O-N 2.94Å
138G44.7Very low52.2Low92 Ų92118.6 Ų118.695%0.94875%0.75SS**THydrogen-bonded Turntrans-76.549.8-174.100000116
139A44.8Very low49.7Very low87 Ų87122.1 Ų122.172%0.71977%0.768SS**THydrogen-bonded Turntrans-144-4.8178.500000117.9G137G137-A139 VanDerWaalsContact C-N 3.26Å; G137-A139 PolarHBondContact O-N 2.94Å
140L50.3Low47.8Very low167 Ų167119.9 Ų119.987%0.87477%0.767SS**SBendtrans-124.512.7-175.7-62.8177000115.2
141S47.1Very low46.3Very low125 Ų125121.8 Ų121.887%0.87478%0.777SS**  trans-137.157.1173-56.30000109.9
142A36.7Very low44.8Very low79 Ų79124.3 Ų124.365%0.65378%0.779SS**SBendtrans-95.7136.3154.700000107H144A142-H144 PolarHBondContact O-N 2.85Å
143P44.9Very low44.5Very low121 Ų121123.2 Ų123.279%0.78677%0.774SS**  trans-62.3131.216729.8-30.3000106.5A145P143-A145 PolarHBondContact O-N 3.01Å
144H43.3Very low44.5Very low200 Ų200128.3 Ų128.393%0.92678%0.779SS**  trans-19.893.8177.1-88.3-88.5000113.8A142A142-H144 PolarHBondContact O-N 2.85Å
145A42.7Very low44Very low77 Ų77128.7 Ų128.764%0.63678%0.782SS**  trans-113.3114.5163.100000105.1P143 I147P143-A145 PolarHBondContact O-N 3.01Å; A145-I147 PolarHBondContact O-N 3.2Å
146D42Very low43.8Very low152 Ų152128 Ų12881%0.81378%0.782SS**  trans-44.4103.9-175.3-64.5-69.8000112.7S148D146-S148 VanDerWaalsContact C-N 3.29Å; D146-S148 PolarHBondContact O-N 3.29Å
147I40.3Very low43.3Very low131 Ų131124.3 Ų124.367%0.67277%0.773SS**  trans-74.196.4159.9-61.5172.8000105.8A145 F149A145-I147 PolarHBondContact O-N 3.2Å; I147-F149 HydrophobicContact CB-CD2 4.44Å; I147-F149 HydrophobicContact CB-CE2 4.05Å; I147-F149 HydrophobicContact CG2-CD2 3.7Å; I147-F149 HydrophobicContact CG2-CE1 4.16Å; I147-F149 HydrophobicContact CG2-CE2 3.22Å; I147-F149 HydrophobicContact CG2-CG 4.36Å; I147-F149 HydrophobicContact CG2-CZ 3.48Å; I147-F149 VanDerWaalsContact CG2-CZ 3.48Å; I147-F149 PolarHBondContact O-N 2.91Å; I147-F149 VanDerWaalsContact O-N 3.1Å
148S43.3Very low43.1Very low113 Ų113126.8 Ų126.879%0.7978%0.78SS**  trans-60.9105.1168-66.40000109.1D146D146-S148 VanDerWaalsContact C-N 3.29Å; D146-S148 PolarHBondContact O-N 3.29Å
149F36.5Very low43.3Very low173 Ų173129.4 Ų129.476%0.75977%0.771SS**  trans-96.8141.4163-73.5-72.8000109.8I147I147-F149 HydrophobicContact CB-CD2 4.44Å; I147-F149 HydrophobicContact CB-CE2 4.05Å; I147-F149 HydrophobicContact CG2-CD2 3.7Å; I147-F149 HydrophobicContact CG2-CE1 4.16Å; I147-F149 HydrophobicContact CG2-CE2 3.22Å; I147-F149 HydrophobicContact CG2-CG 4.36Å; I147-F149 HydrophobicContact CG2-CZ 3.48Å; I147-F149 VanDerWaalsContact CG2-CZ 3.48Å; I147-F149 PolarHBondContact O-N 2.91Å; I147-F149 VanDerWaalsContact O-N 3.1Å
150P44.3Very low43.1Very low112 Ų112133.8 Ų133.873%0.72778%0.776SS**  trans-76.2132.7-172.231.2-32.5000111.2
151T45Very low42.6Very low128 Ų128132 Ų13279%0.78578%0.778SS**  trans7093.2148-43.20000116.9P153T151-P153 HydrophobicContact CG2-CG 4.49Å
152D37.8Very low42.2Very low137 Ų137133.7 Ų133.773%0.73377%0.771SS**  trans-127.2119140.7-162.1-1.1000108.9Y154D152-Y154 VanDerWaalsContact C-N 3.25Å; D152-Y154 PolarHBondContact O-N 3.2Å
153P48.1Very low42.2Very low102 Ų102135.2 Ų135.266%0.66277%0.768SS**THydrogen-bonded Turntrans-73.78.8-165.3-15.830.5000117.1T151T151-P153 HydrophobicContact CG2-CG 4.49Å
154Y45.3Very low42Very low210 Ų210137.2 Ų137.282%0.82477%0.767SS**THydrogen-bonded Turntrans-139.224.2-166.3-91.3-76.9000118.7D152D152-Y154 VanDerWaalsContact C-N 3.25Å; D152-Y154 PolarHBondContact O-N 3.2Å
155S40.3Very low42.2Very low115 Ų115136.3 Ų136.380%0.80476%0.763SS**  trans-106.8100.3170.3-71.50000112.9
156S45.8Very low42Very low114 Ų114138.8 Ų138.880%0.79777%0.772SS**  trans-74.2150.8166.2-67.70000111.1
157S41.6Very low41.6Very low112 Ų112135.7 Ų135.778%0.78376%0.763SS**  trans89.5133.517585.20000113.9
158S39.4Very low41.8Very low115 Ų115135.5 Ų135.580%0.80477%0.77SS**  cis-144.4141.428.1-80.50000112.5
159L49.8Very low41.5Very low148 Ų148136.7 Ų136.778%0.77577%0.767SS**  trans-66.1147.4177-66.6153.6000111.7
160H40.7Very low41.9Very low178 Ų178133.6 Ų133.682%0.82476%0.763SS**  trans93.373.6159.2-45.2117.4000117.9
161S39.8Very low41.5Very low129 Ų129139.6 Ų139.690%0.90277%0.771SS**  trans-102.7103.3146.4-179.80000108.1
162H38.3Very low41.2Very low161 Ų161142.2 Ų142.275%0.74577%0.774SS**  trans-144.8115.7169.3-156.1-116.5000110.3
163L37.3Very low41.3Very low111 Ų111141.3 Ų141.358%0.58178%0.776SS**  trans86.5110.3150.8-75.3-41.2000122.4
164H40.9Very low40.9Very low164 Ų164141.2 Ų141.276%0.75978%0.778SS**  103.3108.7126.4-69.3-53.2000119.7
165Q46.4Very low40.6Very low181 Ų181139.8 Ų139.885%0.84678%0.778SS**  trans-56.7166.5158.5-60.8-172.2-40.700113.6
166P38.1Very low40.6Very low128 Ų128142.7 Ų142.783%0.83178%0.778SS**  -132.4138.6123.532.2-18.5000114.8
167S34.5Very low40.4Very low87 Ų87145.1 Ų145.161%0.60878%0.777SS**  trans-0.5143.3158.9-163.10000121.7
168P43.9Very low40.2Very low127 Ų127148.9 Ų148.983%0.82578%0.782SS**  trans-95.1111.3162.934.4-22.7000111.5
169D38.5Very low40Very low138 Ų138151.1 Ų151.174%0.73878%0.779SS**  trans-107.1119.9166.9-91.9-58.4000112
170T44Very low39.4Very low109 Ų109150.5 Ų150.567%0.66977%0.772SS**  trans66.585.6135.7-49.80000119
171W36Very low39.3Very low238 Ų238151 Ų15190%0.90278%0.775SS**  trans-160.794.9139.5-7399.9000111.3
172H39Very low39.2Very low183 Ų183152.3 Ų152.385%0.84777%0.766SS**  trans-130.1117.7159-78.1-75.7000109.5
173P40.1Very low39Very low118 Ų118153.4 Ų153.477%0.76677%0.771SS**  trans-90.7108.7159-1330.6000110.4
174S38.1Very low39.6Very low100 Ų100153.8 Ų153.870%0.69978%0.78SS**  trans-74.7125.2174.8-510000111.4
175H40.8Very low39.6Very low179 Ų179157.2 Ų157.283%0.82979%0.788SS**  trans-56.7131.8169.4-74.3-89.6000112.1
176H40Very low39Very low176 Ų176154.4 Ų154.482%0.81579%0.788SS**  trans-118.2120.8159.6-82.566.7000109.7
177H40.6Very low39.2Very low166 Ų166157 Ų15777%0.76979%0.794SS**  trans-67.1143.5168.8-82.632000110.9
178H37.6Very low39.1Very low190 Ų190156.4 Ų156.488%0.8880%0.802SS**  trans-133.4139.3157.3-99.660.1000111.2
179H36.3Very low38.6Very low162 Ų162154.1 Ų154.175%0.7580%0.801SS**  trans-82.7153.2-163.5-84.4-17.3000116.1
180H36.5Very low38.5Very low135 Ų135151.7 Ų151.763%0.62580%0.801SS**  trans19.4127.8142.5-69.7-84.2000121.5H182H180-H182 AromaticContact CE1-NE2 3.77Å; H180-H182 AromaticContact ND1-CD2 3.66Å; H180-H182 AromaticContact ND1-NE2 3.21Å; H180-H182 PolarHBondContact ND1-NE2 3.38Å
181H37.9Very low38.2Very low190 Ų190154 Ų15488%0.8881%0.808SS**  trans-138119.2140.1-89.9-67.5000111
182H37.6Very low38.1Very low156 Ų156148.1 Ų148.172%0.72280%0.802SS**PPolyproline II helixtrans-93136.5172.4-74.5-91.5000110H180H180-H182 AromaticContact CE1-NE2 3.77Å; H180-H182 AromaticContact ND1-CD2 3.66Å; H180-H182 AromaticContact ND1-NE2 3.21Å; H180-H182 PolarHBondContact ND1-NE2 3.38Å
183H35.5Very low38Very low183 Ų183143.6 Ų143.685%0.84780%0.797SS**PPolyproline II helixtrans-89131.6173.2-59.2-74.5000111.2
184P49.3Very low38Very low119 Ų119146.9 Ų146.977%0.77380%0.802SS**PPolyproline II helixtrans-97.5140.4164.634-25.4000111.3
185Y40.8Very low37.7Very low236 Ų236147.7 Ų147.793%0.92581%0.808SS**PPolyproline II helixtrans-57135.7166.8-88-100.1000111.5
186S34.7Very low37.4Very low122 Ų122144.9 Ų144.985%0.85381%0.808SS**  trans-126.7118.7159.4-86.90000110.8
187L41.5Very low37.4Very low182 Ų182139.7 Ų139.795%0.95380%0.795SS**  trans-76.9132.6167.5177.473.7000109.5
188G32.5Very low37Very low75 Ų75142.4 Ų142.477%0.77380%0.8SS**  trans120.4112.7152.500000117.7
189G33.7Very low37Very low79 Ų79139.3 Ų139.381%0.81480%0.801SS**  trans108.4109.9134.400000119.2
190A34.9Very low37.2Very low88 Ų88142.6 Ų142.673%0.72781%0.806SS**  trans97.2108.2140.700000119.9
191I38.7Very low37.4Very low158 Ų158141.6 Ų141.681%0.8181%0.812SS**  trans68.1126.5130.467.7-173.7000122.7
192S33.3Very low37.7Very low113 Ų113135.7 Ų135.779%0.7980%0.802SS**  trans72.198.6148.351.10000120
193A36.9Very low38.2Very low88 Ų88135.2 Ų135.273%0.72781%0.81SS**  165.6117.99700000111.5
194Q40.3Very low38.9Very low187 Ų187134.2 Ų134.287%0.87481%0.806SS**  trans57.9100.1143.8-49.4-172.823.900117.5
195S32Very low38.6Very low118 Ų118137.2 Ų137.283%0.82581%0.809SS**  71101.1100.3176.20000115
196S35.1Very low39Very low119 Ų119133.9 Ų133.983%0.83280%0.804SS**  179.6142.4111.6-167.20000110.7
197A38.9Very low39.7Very low67 Ų67138 Ų13855%0.55480%0.802SS**  trans-77.9154.6-170.400000113.4
198Y32.3Very low39.8Very low223 Ų223132.9 Ų132.988%0.87579%0.793SS**  trans80.990.9168.9-48.8-74.7000117.3R200Y198-R200 PolarHBondContact O-N 2.88Å; Y198-R200 VanDerWaalsContact O-N 3.13Å
199S38.2Very low40.5Very low126 Ų126132.2 Ų132.288%0.88178%0.781SS**  trans-67.9100.7158.2-15.60000108.9
200R39.6Very low41.7Very low230 Ų230133.6 Ų133.687%0.86878%0.784SS**PPolyproline II helixtrans-78.9124.3168.8-164.5-175.7-171.6-153.82.9108Y198 G202Y198-R200 PolarHBondContact O-N 2.88Å; Y198-R200 VanDerWaalsContact O-N 3.13Å; R200-G202 PolarHBondContact O-N 2.94Å; R200-G202 VanDerWaalsContact O-N 3.15Å
201P42.3Very low42.6Very low114 Ų114136 Ų13674%0.7478%0.779SS**PPolyproline II helixtrans-61.6117.8170.5-22.634.1000109.8V203P201-V203 PolarHBondContact O-N 2.88Å
202G42.9Very low43.1Very low66 Ų66131.6 Ų131.668%0.6876%0.757SS**PPolyproline II helixtrans-70.4119.3175.600000110.3R200 H204R200-G202 PolarHBondContact O-N 2.94Å; R200-G202 VanDerWaalsContact O-N 3.15Å; G202-H204 PolarHBondContact O-N 3.21Å
203V48.8Very low44.4Very low147 Ų147131.8 Ų131.889%0.89176%0.755SS**  trans-82.729.9175.5-680000112.5P201P201-V203 PolarHBondContact O-N 2.88Å
204H50.2Low45.4Very low162 Ų162136 Ų13675%0.7575%0.752SS**  trans-120.861.7-172.6-166.7-95.5000112.1G202G202-H204 PolarHBondContact O-N 3.21Å
205E43.6Very low45.9Very low182 Ų182133.9 Ų133.985%0.8574%0.737SS**  trans-139.315.4173.2-127.7109.9-147.700113.8
206M49.1Very low47Very low165 Ų165131.8 Ų131.881%0.81372%0.722SS**SBendtrans-101.70.9-179.3-147.2179.4144.300114.4
207Y48.6Very low48Very low210 Ų210131.1 Ų131.182%0.82472%0.718SS**  trans-137.543.7176-64.8-79.9000112.3A209Y207-A209 VanDerWaalsContact C-N 3.33Å; Y207-A209 PolarHBondContact O-N 3.2Å
208G42.9Very low49Very low74 Ų74135.1 Ų135.176%0.76373%0.729SS**  trans-86.472167.400000110.4A210G208-A210 PolarHBondContact O-N 3.4Å
209A48.3Very low50.3Low61 Ų61130.5 Ų130.550%0.50472%0.719SS.*  trans-66108.1170.400000108.4Y207 F211Y207-A209 VanDerWaalsContact C-N 3.33Å; Y207-A209 PolarHBondContact O-N 3.2Å; A209-F211 HydrophobicContact CB-CD2 3.48Å; A209-F211 VanDerWaalsContact CB-CD2 3.48Å; A209-F211 HydrophobicContact CB-CE2 3.19Å; A209-F211 HydrophobicContact CB-CG 4.4Å; A209-F211 HydrophobicContact CB-CZ 3.9Å; A209-F211 WeakPolarHBondContact O-CD2 3.37Å; A209-F211 PolarHBondContact O-N 3.11Å
210A59.8Low51.2Low108 Ų108129.5 Ų129.589%0.89371%0.707SS**  trans-68.379.7168.400000108.4G208 D212G208-A210 PolarHBondContact O-N 3.4Å; A210-D212 PolarHBondContact O-N 2.86Å
211F52Low51.3Low139 Ų139123.8 Ų123.861%0.6170%0.7SS**  trans-71.2122174.7-78.8-77.1000109.1A209 P213 L219A209-F211 HydrophobicContact CB-CD2 3.48Å; A209-F211 VanDerWaalsContact CB-CD2 3.48Å; A209-F211 HydrophobicContact CB-CE2 3.19Å; A209-F211 HydrophobicContact CB-CG 4.4Å; A209-F211 HydrophobicContact CB-CZ 3.9Å; A209-F211 WeakPolarHBondContact O-CD2 3.37Å; A209-F211 PolarHBondContact O-N 3.11Å; F211-P213 WeakPolarHBondContact O-CD 3.45Å; F211-L219 HydrophobicContact CD1-CD1 4.43Å; F211-L219 HydrophobicContact CE1-CD1 3.69Å; F211-L219 HydrophobicContact CZ-CD1 4.23Å
212D50.9Low51.5Low65 Ų65123 Ų12335%0.34870%0.697SS.*  trans-58.1120.2166.1179-12.3000107.7A210 R214 Y215A210-D212 PolarHBondContact O-N 2.86Å; D212-R214 PolarHBondContact O-N 2.73Å; D212-R214 WeakPolarHBondContact OD1-CB 3.49Å; D212-R214 WeakPolarHBondContact OD1-CG 3.43Å; D212-R214 PolarHBondContact OD1-N 3.41Å; D212-R214 IonicContact OD1-NE 3.65Å; D212-R214 IonicContact OD2-CZ 3.53Å; D212-R214 IonicContact OD2-NE 2.73Å; D212-R214 PolarHBondContact OD2-NE 2.83Å; D212-R214 IonicContact OD2-NH2 3.3Å; D212-R214 PolarHBondContact OD2-NH2 2.97Å; D212-R214 VanDerWaalsContact OD2-NH2 3.09Å; D212-Y215 HydrophobicContact CB-CD2 4.12Å; D212-Y215 PolarHBondContact O-N 2.94Å
213P58.9Low51.9Low116 Ų116126.1 Ų126.175%0.75370%0.702SS**THydrogen-bonded Turntrans-59.3-13.2-177.921-30.9000113.3F211 Y215F211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-Y215 VanDerWaalsContact C-N 3.31Å; P213-Y215 PolarHBondContact O-N 3.06Å
214R58.3Low52Low176 Ų176128.8 Ų128.866%0.66470%0.697SS**THydrogen-bonded Turntrans-76.3-11.5176.3-60.8-171.9-56141.35114.9D212D212-R214 PolarHBondContact O-N 2.73Å; D212-R214 WeakPolarHBondContact OD1-CB 3.49Å; D212-R214 WeakPolarHBondContact OD1-CG 3.43Å; D212-R214 PolarHBondContact OD1-N 3.41Å; D212-R214 IonicContact OD1-NE 3.65Å; D212-R214 IonicContact OD2-CZ 3.53Å; D212-R214 IonicContact OD2-NE 2.73Å; D212-R214 PolarHBondContact OD2-NE 2.83Å; D212-R214 IonicContact OD2-NH2 3.3Å; D212-R214 PolarHBondContact OD2-NH2 2.97Å; D212-R214 VanDerWaalsContact OD2-NH2 3.09Å
215Y52Low51.5Low144 Ų144126.1 Ų126.157%0.56569%0.693SS**SBendtrans-121.27.7-177.4-62.4-78.6000114.3D212 P213 S217D212-Y215 HydrophobicContact CB-CD2 4.12Å; D212-Y215 PolarHBondContact O-N 2.94Å; P213-Y215 VanDerWaalsContact C-N 3.31Å; P213-Y215 PolarHBondContact O-N 3.06Å; Y215-S217 PolarHBondContact O-N 2.81Å; Y215-S217 VanDerWaalsContact O-N 3.16Å
216S55.3Low51.1Low73 Ų73126.3 Ų126.351%0.5169%0.694SS.*G310 helixtrans-67-13.1-179.1-1740000114.5
217S55.6Low50.6Low105 Ų105126.8 Ų126.873%0.73469%0.694SS**G310 helixtrans-84.2-10-173.9-450000114.6Y215Y215-S217 PolarHBondContact O-N 2.81Å; Y215-S217 VanDerWaalsContact O-N 3.16Å
218L58.9Low50.5Low151 Ų151127.6 Ų127.679%0.79170%0.696SS**G310 helixtrans-99.1-4.1-177.3-62.9179.9000114
219L60.7Low50.2Low126 Ų126132.5 Ų132.566%0.6670%0.703SS**SBendtrans-108.411.1-176.5-67.1173.9000114F211F211-L219 HydrophobicContact CD1-CD1 4.43Å; F211-L219 HydrophobicContact CE1-CD1 3.69Å; F211-L219 HydrophobicContact CZ-CD1 4.23Å
220V56.8Low49.5Very low106 Ų106134.5 Ų134.564%0.64271%0.713SS**SBendtrans-94.7122.6170.7-171.60000108.6S222V220-S222 PolarHBondContact O-N 3.25Å
221P42.4Very low48.2Very low110 Ų110135.1 Ų135.171%0.71471%0.712SS**  trans-58.7108.1168.5-19.131000108.6V223P221-V223 VanDerWaalsContact C-N 3.29Å; P221-V223 PolarHBondContact O-N 2.87Å
222S46Very low47.3Very low97 Ų97132 Ų13268%0.67872%0.719SS**  trans-6788.1174.3167.90000109.1V220 R224V220-S222 PolarHBondContact O-N 3.25Å; S222-R224 PolarHBondContact O-N 3.07Å
223V51.2Low46.5Very low131 Ų131134.6 Ų134.679%0.79474%0.742SS**  trans-71.294.1165.6-173.90000107.3P221 P225P221-V223 VanDerWaalsContact C-N 3.29Å; P221-V223 PolarHBondContact O-N 2.87Å; V223-P225 WeakPolarHBondContact O-CD 3.12Å
224R51.6Low45.4Very low204 Ų204134.3 Ų134.377%0.7774%0.743SS**  trans-80.9122.4166.3-84.8-179.3174.3171.6-1.9108.7S222 H226S222-R224 PolarHBondContact O-N 3.07Å; R224-H226 PolarHBondContact O-N 3.21Å
225P38Very low44.4Very low105 Ų105132.8 Ų132.868%0.68275%0.752SS**  trans-66.9118.9159.5-10.626.5000107.7V223 H227V223-P225 WeakPolarHBondContact O-CD 3.12Å; P225-H227 VanDerWaalsContact C-N 3.31Å; P225-H227 PolarHBondContact O-N 3.27Å
226H36.8Very low44Very low187 Ų187132 Ų13287%0.86677%0.765SS**  trans-65.892.1168.4-85.1-96.6000109R224 R228R224-H226 PolarHBondContact O-N 3.21Å; H226-R228 PolarHBondContact O-N 3.06Å
227H38.8Very low42.9Very low174 Ų174131.9 Ų131.981%0.80678%0.776SS**  trans-66112.4156.1-80.7-79000107.7P225 L229P225-H227 VanDerWaalsContact C-N 3.31Å; P225-H227 PolarHBondContact O-N 3.27Å; H227-L229 PolarHBondContact O-N 3.43Å
228R44.8Very low42.4Very low228 Ų228132.6 Ų132.686%0.8678%0.777SS**  trans-49.4127.4173.2-80.7-170.8171.3-142.52110.9H226H226-R228 PolarHBondContact O-N 3.06Å
229L36.4Very low41.1Very low176 Ų176130.7 Ų130.792%0.92178%0.777SS**  trans-108.398151.7-66.2176.5000107.1H227H227-L229 PolarHBondContact O-N 3.43Å
230S33.7Very low39.8Very low103 Ų103130.8 Ų130.872%0.7278%0.783SS**  trans-101.6116.5162.5-168.40000106.3
231S33.7Very low39Very low122 Ų122130.8 Ų130.885%0.85379%0.787SS**  trans-83.1139.1170.2-670000109.6
232G32.8Very low39.5Very low74 Ų74130.7 Ų130.776%0.76379%0.787SS**  trans124.589157.700000117.1
233S34.5Very low38.9Very low119 Ų119131.5 Ų131.583%0.83279%0.791SS**  trans36.3108130.5178.50000120.3
234S35Very low38Very low110 Ų110132 Ų13277%0.76979%0.789SS**  173.7118.3115.159.50000112.8
235V36.5Very low37.3Very low143 Ų143129.6 Ų129.687%0.86779%0.791SS**  trans36.8140.2144.5-178.40000121.3
236P43.7Very low37Very low128 Ų128128.5 Ų128.583%0.83180%0.799SS**  trans-96.9152.7-165.837.1-28.8000115.2
237G32Very low36.7Very low71 Ų71123.5 Ų123.573%0.73280%0.798SS**  trans-146.6138.3169.500000112.1
238P45.1Very low36.7Very low119 Ų119125 Ų12577%0.77380%0.802SS**  trans-98.6165-169.538.2-33.6000114
239S33.2Very low36.4Very low112 Ų112118.4 Ų118.478%0.78380%0.796SS**  trans74.3141165.282.40000114.6
240T32Very low36.2Very low127 Ų127119.5 Ų119.578%0.77980%0.797SS**  cis-158.2145.824.244.20000109
241S41.8Very low36.4Very low106 Ų106120.9 Ų120.974%0.74181%0.806SS**  trans-67.1-173.4155.756.10000110.8
242P51.3Low36.3Very low109 Ų109118 Ų11871%0.70880%0.796SS**  cis-135.8178.2-1.525.22.5000112.6
243C33.2Very low36.4Very low114 Ų114121.6 Ų121.677%0.7780%0.803SS**  166.1129.396.4-73.80000106
244D33.5Very low36.5Very low140 Ų140119.3 Ų119.375%0.74980%0.798SS**  91.6134.464.1-151.1-116.4000114.1
245L36.2Very low36.6Very low154 Ų154120.2 Ų120.281%0.80681%0.805SS**  trans76.6124.1172.5-46.7174.2000116.5
246G32.7Very low36.6Very low83 Ų83116.8 Ų116.886%0.85679%0.791SS**  cis100.891.833.200000109.2
247G30.7Very low36.4Very low82 Ų82122.5 Ų122.585%0.84580%0.797SS**  trans-170.1119.5177.800000112.2
248K36.8Very low36.7Very low205 Ų205124.6 Ų124.689%0.89180%0.8SS**  trans-98.1125.4-170.3171.5178.2170.4176.30110.4
249A39Very low36.2Very low89 Ų89121.7 Ų121.774%0.73679%0.792SS**  trans57.3118.2150.700000120.3
250E32.7Very low36.2Very low200 Ų200121 Ų12194%0.93579%0.793SS**  trans-155.3148.3134.651.2-170.896.200111.6
251S38.7Very low36.6Very low131 Ų131124.5 Ų124.592%0.91680%0.798SS**  trans-83.1139.2-168.91670000111.8
252G31.4Very low36.6Very low61 Ų61124 Ų12463%0.62980%0.8SS**  trans171.7106.5165.800000115.4
253T34.4Very low35.8Very low150 Ų150122.5 Ų122.592%0.9280%0.804SS**  trans70.2114.8136.5-39.10000119.5
254G36.1Very low36Very low71 Ų71121.9 Ų121.973%0.73281%0.807SS**  trans83.788.4142.400000116.8A256G254-A256 VanDerWaalsContact C-N 3.3Å; G254-A256 PolarHBondContact O-N 3.26Å; G254-A256 VanDerWaalsContact O-N 3.1Å
255S38Very low36.1Very low129 Ų129118.7 Ų118.790%0.90281%0.808SS**  trans-79.190.3154.7-172.50000108.3W257S255-W257 PolarHBondContact O-N 3.15Å
256A36.8Very low36.2Very low71 Ų71115.5 Ų115.559%0.58780%0.804SS**  trans-66.1118157.500000107.8G254 S258G254-A256 VanDerWaalsContact C-N 3.3Å; G254-A256 PolarHBondContact O-N 3.26Å; G254-A256 VanDerWaalsContact O-N 3.1Å; A256-S258 PolarHBondContact O-N 3.27Å
257W38.1Very low36.6Very low248 Ų248120 Ų12094%0.93980%0.802SS**  trans-60.978159.764.8-40.1000110.4S255 G259S255-W257 PolarHBondContact O-N 3.15Å; W257-G259 VanDerWaalsContact C-N 3.28Å; W257-G259 PolarHBondContact O-N 3.19Å
258S38.8Very low37.3Very low115 Ų115123.5 Ų123.580%0.80480%0.8SS**  trans-78.583165.7-71.30000108.9A256A256-S258 PolarHBondContact O-N 3.27Å
259G34.2Very low37.3Very low58 Ų58116.9 Ų116.960%0.59879%0.79SS**  trans-96.788.416400000109.7W257 F261W257-G259 VanDerWaalsContact C-N 3.28Å; W257-G259 PolarHBondContact O-N 3.19Å; G259-F261 PolarHBondContact O-N 2.83Å
260A33.9Very low37.6Very low97 Ų97119.3 Ų119.380%0.80279%0.79SS**  trans-70.1109.4169.700000109.6A262A260-A262 VanDerWaalsContact C-N 3.32Å; A260-A262 PolarHBondContact O-N 3.44Å
261F40.2Very low38Very low201 Ų201116.2 Ų116.288%0.88278%0.78SS**  trans-82.780.7163.643.3-87.1000108.6G259G259-F261 PolarHBondContact O-N 2.83Å
262A42Very low38.5Very low97 Ų97117.1 Ų117.180%0.80277%0.773SS**  trans-91.7106.3166.400000109.6A260A260-A262 VanDerWaalsContact C-N 3.32Å; A260-A262 PolarHBondContact O-N 3.44Å
263G35.4Very low39.1Very low77 Ų77121 Ų12179%0.79478%0.779SS**  trans74.496.3137.900000118.7
264A36Very low39.7Very low100 Ų100120.5 Ų120.583%0.82678%0.776SS**  -156.791.4128.900000107.2A266A264-A266 VanDerWaalsContact C-N 3.33Å; A264-A266 PolarHBondContact O-N 3.35Å
265G37Very low40.2Very low74 Ų74121.3 Ų121.376%0.76378%0.776SS**  trans-62.999164.700000107.9E267G265-E267 PolarHBondContact O-N 3.41Å
266A38.5Very low40.4Very low87 Ų87122.9 Ų122.972%0.71977%0.773SS**  trans-73.286.5156.200000105.8A264 I268A264-A266 VanDerWaalsContact C-N 3.33Å; A264-A266 PolarHBondContact O-N 3.35Å; A266-I268 PolarHBondContact O-N 3.1Å
267E40.1Very low40.8Very low176 Ų176130.7 Ų130.782%0.82279%0.787SS**  trans-45.9109.116058.8-146.9135.600108.3G265 G269G265-E267 PolarHBondContact O-N 3.41Å; E267-G269 PolarHBondContact O-N 2.85Å
268I44.8Very low41.1Very low157 Ų157130 Ų13081%0.80579%0.786SS**  trans-72.579.2166.8-45.7114.8000105A266 L270A266-I268 PolarHBondContact O-N 3.1Å; I268-L270 VanDerWaalsContact C-N 3.28Å; I268-L270 PolarHBondContact O-N 3.19Å
269G37.9Very low41.2Very low65 Ų65129.7 Ų129.767%0.6778%0.784SS**  trans-67.489.1172.600000108.6E267 N271E267-G269 PolarHBondContact O-N 2.85Å; G269-N271 VanDerWaalsContact C-N 3.25Å; G269-N271 PolarHBondContact O-N 3.36Å
270L44.3Very low41.3Very low140 Ų140130.6 Ų130.673%0.73379%0.794SS**  trans-67.495.7160.2-66.2178.3000106.7I268 I272I268-L270 VanDerWaalsContact C-N 3.28Å; I268-L270 PolarHBondContact O-N 3.19Å; L270-I272 PolarHBondContact O-N 3.15Å
271N41.1Very low41.7Very low136 Ų136135 Ų13573%0.72780%0.803SS**  trans-57.5101.2167.8179-12.3000108.6G269 D273G269-N271 VanDerWaalsContact C-N 3.25Å; G269-N271 PolarHBondContact O-N 3.36Å; N271-D273 PolarHBondContact OD1-N 3.42Å; N271-D273 VanDerWaalsContact OD1-N 3.08Å
272I48.8Very low41.5Very low150 Ų150131.5 Ų131.577%0.76980%0.802SS**  trans-103.963.6170-53.9163.1000107L270L270-I272 PolarHBondContact O-N 3.15Å
273D45.3Very low41.3Very low141 Ų141132.9 Ų132.975%0.75481%0.805SS**  trans-125.466.5167.6-90.5-66.8000109.7N271N271-D273 PolarHBondContact OD1-N 3.42Å; N271-D273 VanDerWaalsContact OD1-N 3.08Å
274T46.5Very low41.4Very low140 Ų140134.7 Ų134.786%0.85981%0.806SS**SBendtrans-154.9129.1155.3-580000109.3
275A45.6Very low41.5Very low89 Ų89133.7 Ų133.774%0.73681%0.805SS**  trans93.956170.600000118.7
276L43Very low41.4Very low161 Ų161134 Ų13484%0.84381%0.809SS**  trans-134.870.1139.9-87.2172.7000109.6
277R45.8Very low41.5Very low235 Ų235134.1 Ų134.189%0.88782%0.818SS**  trans-113.850.6168.1-76.2-72.7-168.51701.2110.3
278Y44.5Very low41.4Very low233 Ų233129.4 Ų129.491%0.91482%0.817SS**  trans-156.282.6162.3-97-76.6000110.1
279S39.3Very low41.4Very low110 Ų110127.4 Ų127.477%0.76982%0.817SS**SBendtrans-167.4112154.951.80000110.5
280G37.8Very low41.6Very low77 Ų77130.7 Ų130.779%0.79482%0.824SS**  trans81.370145.600000118.1C282G280-C282 VanDerWaalsContact C-N 3.32Å; G280-C282 PolarHBondContact O-N 3.13Å
281L41.6Very low41.5Very low189 Ų189131.7 Ų131.799%0.9983%0.827SS**  trans-75.391.5147.2-96.1153.9000107.8
282C35.7Very low41.3Very low127 Ų127133 Ų13386%0.85883%0.829SS**  trans-120.3118.8161.7-109.10000109.6G280G280-C282 VanDerWaalsContact C-N 3.32Å; G280-C282 PolarHBondContact O-N 3.13Å
283S38.9Very low41.3Very low126 Ų126130.7 Ų130.788%0.88182%0.824SS**  trans-40.3146.7176.6-138.70000117.8
284S37.4Very low40.9Very low116 Ų116133.9 Ų133.981%0.81186%0.855SS**  158.9114.5126.6-168.50000107.5
285G38.3Very low40.7Very low78 Ų78133.6 Ų133.680%0.80485%0.854SS**  86.2101.359.700000109.2
286G34.9Very low40.4Very low82 Ų82135.9 Ų135.985%0.84586%0.861SS**  trans145.596.816900000114.3
287G40.7Very low40.2Very low88 Ų88134.6 Ų134.691%0.90786%0.862SS**  trans-71.2159.2169.400000112.3
288G37.3Very low39.9Very low78 Ų78128.6 Ų128.680%0.80486%0.86SS**  trans161.495.7173.500000112.9
289S44.4Very low39.6Very low115 Ų115122.1 Ų122.180%0.80486%0.857SS**  trans-44.4135.9163.7-166.80000112.3
290T42.2Very low39.6Very low133 Ų133122.9 Ų122.982%0.81686%0.863SS**  173.6120.9122.637.80000112.4
291M41.4Very low39.8Very low162 Ų162126.2 Ų126.280%0.79887%0.868SS**  trans17.6129.2138.3-77.617979.600122.7
292Q37.7Very low39.6Very low164 Ų164121.4 Ų121.477%0.76686%0.858SS**  87161.2128.9-96.9-157.6-72.400121.2
293P48.3Very low40Very low101 Ų101120.9 Ų120.966%0.65686%0.858SS**  trans-115.2168.2-132.139.2-22000113.7
294C38.3Very low40.1Very low208 Ų208120.5 Ų120.5100%1.40586%0.856SS**  trans-158.10143.3-95.40000107

Retrieved 294 of 294 residues in 162.4 ms (Link to these results)