A0A077ZK50_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M48.8Very low56.2Low240 Ų240149.1 Ų149.1100%1.18285%0.848SS**  0126.80-94.6157.1160.100107.2
2S53.7Low56.2Low125 Ų125145.4 Ų145.487%0.87485%0.849SS**  trans91.482.3179.4-41.60000115.9
3D54Low56.1Low151 Ų151139.4 Ų139.481%0.80784%0.837SS**  trans-58.5157.3155.7-66.2-79000113.4
4Y56.4Low55.6Low247 Ų247142.1 Ų142.197%0.96984%0.836SS**  trans169.6117.7142.3-93-71000106
5G53.4Low55.5Low78 Ų78143.6 Ų143.680%0.80483%0.832SS**  cis145.5104.716.300000106.2
6S58Low55.2Low111 Ų111146.3 Ų146.378%0.77684%0.835SS**  trans-86.8130.5-163-154.50000114
7T60.6Low54.8Low109 Ų109146.5 Ų146.567%0.66983%0.827SS**  trans20.8146137.659.60000124.1
8H65.2Low54.6Low167 Ų167145 Ų14577%0.77382%0.824SS**  trans92.4100.9146.4-84.841.9000116.3
9E57.2Low54.1Low173 Ų173148.5 Ų148.581%0.80882%0.822SS**  84.8118.370.7-71-103.5148.400111.1
10D60.3Low53.8Low162 Ų162153.4 Ų153.487%0.86683%0.828SS**  trans-66146.3-160.6-56.8-79.9000115.4
11G50.8Low53.3Low77 Ų77151.6 Ų151.679%0.79483%0.827SS**  trans-107.6146.8164.500000111.7
12A55.5Low53.5Low105 Ų105146.1 Ų146.187%0.86881%0.81SS**  trans154.2113.3150.100000107.2
13G55.3Low53Low67 Ų67148.5 Ų148.569%0.69181%0.807SS**  100.7949400000108.1
14E48.9Very low52.5Low177 Ų177148.6 Ų148.683%0.82780%0.802SS**  80.1139.896.3-72.3179.1-168.200113.5
15E54.2Low51.7Low165 Ų165144 Ų14477%0.77179%0.794SS**  trans101.2102.5153.5-41.6-165.9-165.900120.6
16E50.5Low51.3Low187 Ų187150.2 Ų150.287%0.87479%0.793SS**  76.6116.1129.6-70.1-162.9141.100124.5
17E48.2Very low50.2Low150 Ų150155.5 Ų155.570%0.70180%0.796SS**  trans-55.8154.3158.7-98.1-112.4171.200113.7R19E17-R19 WeakPolarHBondContact OE2-CG 3.04Å; E17-R19 PolarHBondContact OE2-N 3.21Å; E17-R19 VanDerWaalsContact OE2-N 3.11Å
18P51.1Low49.4Very low119 Ų119160.6 Ų160.677%0.77380%0.803SS**  -151.713692.734-13.6000117.7
19R45.9Very low48.1Very low212 Ų212162.7 Ų162.780%0.880%0.804SS**  trans19.5120.9130.9-49.1-174.3-178.2-163.70.5119.7E17E17-R19 WeakPolarHBondContact OE2-CG 3.04Å; E17-R19 PolarHBondContact OE2-N 3.21Å; E17-R19 VanDerWaalsContact OE2-N 3.11Å
20R47.3Very low47.1Very low245 Ų245159.9 Ų159.993%0.92580%0.804SS**  167.6120.8119.2-99.5178.2177.7-164.7-0.3112.5
21S44.1Very low46.3Very low117 Ų117157 Ų15782%0.81880%0.803SS**  trans-65.4161.1167.4-430000112.3
22P52.9Low45.7Very low125 Ų125158.8 Ų158.881%0.81280%0.803SS**  -139.9141.8117.316.84.7000115.1
23E43Very low45.3Very low174 Ų174165.8 Ų165.881%0.81381%0.807SS**  trans-49.5152.3158.9-73.6-177.8102.400111.8
24H44.1Very low44.4Very low154 Ų154168.2 Ų168.271%0.71381%0.813SS**  -171.195127.5-111.7-89.3000111.6
25N39.1Very low44.2Very low149 Ų149168.4 Ų168.480%0.79781%0.814SS**  trans-8998.7159.6-178.16.1000108.7
26R45.1Very low43.7Very low209 Ų209164.5 Ų164.579%0.78981%0.805SS**  trans-138.5104.1163.6-69.9-168.4-174.9172.73.4111.4
27R35Very low43.4Very low223 Ų223166.3 Ų166.384%0.84280%0.804SS**  trans-22.6133.5148.1-59.9170.6176179.5-2.5112.4
28R42.9Very low43.2Very low216 Ų216164.2 Ų164.282%0.81581%0.806SS**  172.7125.1123.1-92.9163.1-169.1-146.84.8113.4
29R38Very low42.9Very low210 Ų210169.4 Ų169.479%0.79281%0.81SS**  62.397.7129.3-70.4177.6170.8170.6-4.4119.8
30S37.1Very low42.7Very low114 Ų114164.7 Ų164.780%0.79781%0.809SS**  39.6117.3120.953.20000120.2
31A44.2Very low42.4Very low103 Ų103164.9 Ų164.985%0.85181%0.81SS**  trans-153.3128.2140.300000110.6
32S37.7Very low42.3Very low113 Ų113164.9 Ų164.979%0.7981%0.81SS**  trans-61142.2178.646.30000114.4
33R46Very low41.9Very low253 Ų253167.8 Ų167.896%0.95581%0.805SS**  trans-164.1119.2137.7-106.9161.5-173-174.22110.6
34S38Very low41.7Very low117 Ų117166.9 Ų166.982%0.81880%0.801SS**  trans-88.6135.7-175.7390000111.7
35Q44.3Very low41.7Very low181 Ų181164.9 Ų164.985%0.84680%0.796SS**  trans-157.1106.4149.5-155.7151.6-31.600112.2
36S43Very low41.7Very low84 Ų84166.6 Ų166.659%0.58779%0.791SS**  trans73.4112.2136.4-60.60000122.7
37R45.1Very low41.5Very low224 Ų224167.2 Ų167.285%0.84579%0.793SS**  92.392.5125.2-62.7168.4-169.7-173.90.3119.2
38S43Very low41.8Very low106 Ų106165.3 Ų165.374%0.74179%0.786SS**  44.2130121.2-25.20000118.4
39R44.4Very low41.7Very low228 Ų228165.1 Ų165.186%0.8679%0.785SS**  cis-160.1126.719.6-66.1-175.5167.3141.5-5.3110.5
40S42.6Very low41.9Very low113 Ų113166.3 Ų166.379%0.7979%0.79SS**  trans57.389.8135.2-47.20000119.7S42S40-S42 PolarHBondContact O-N 3.38Å
41R40.6Very low42Very low249 Ų249165.6 Ų165.694%0.9478%0.784SS**  trans-53.5132.9152.1-67.9178.6177.3172.2-1.9109.6R43R41-R43 PolarHBondContact O-N 3.34Å
42S43.2Very low42.1Very low118 Ų118171.8 Ų171.883%0.82579%0.786SS**  trans-56.6122.2-171.340.40000112.1S40 E44S40-S42 PolarHBondContact O-N 3.38Å; S42-E44 PolarHBondContact O-N 2.9Å
43R43.7Very low42.4Very low186 Ų186172.6 Ų172.670%0.70279%0.792SS**  trans-55.2104.4165.9-63.3174.1179.2172.7-1.6107.2R41R41-R43 PolarHBondContact O-N 3.34Å
44E37.7Very low42.3Very low154 Ų154163.5 Ų163.572%0.7278%0.777SS**SBend58.6111.388.5-171169.6-168.200110.2S42 R46S42-E44 PolarHBondContact O-N 2.9Å; E44-R46 PolarHBondContact O-N 3.36Å
45D44.4Very low42.8Very low113 Ų113162.7 Ų162.760%0.60477%0.771SS**  trans46.433147.2-74.7-76.6000117.2R47 R48D45-R47 PolarHBondContact O-N 2.59Å; D45-R48 IonicContact OD1-CZ 3.86Å; D45-R48 IonicContact OD1-NH1 3.83Å; D45-R48 PolarHBondContact OD1-NH1 3.15Å; D45-R48 VanDerWaalsContact OD1-NH1 3.1Å
46R39Very low42.9Very low184 Ų184165.4 Ų165.469%0.69477%0.773SS**  trans-77.380.5165.7-78.6-176.3-179.4168.2-1.8108.7E44E44-R46 PolarHBondContact O-N 3.36Å
47R42.6Very low43.1Very low223 Ų223172.5 Ų172.584%0.84279%0.787SS**  trans75.651.6143.1-52172.4-172.2-164.81.1112.4D45 R49D45-R47 PolarHBondContact O-N 2.59Å; R47-R49 PolarHBondContact O-N 3.31Å; R47-R49 VanDerWaalsContact O-N 3.14Å
48R40.5Very low43Very low182 Ų182171.1 Ų171.169%0.68778%0.782SS**  -29.8118.3128.8-81172.4169.8163.4-10.5109.2D45D45-R48 IonicContact OD1-CZ 3.86Å; D45-R48 IonicContact OD1-NH1 3.83Å; D45-R48 PolarHBondContact OD1-NH1 3.15Å; D45-R48 VanDerWaalsContact OD1-NH1 3.1Å
49R40.3Very low43Very low212 Ų212171.1 Ų171.180%0.878%0.782SS**  trans59.794.8131.7-53.9174.8-179.3-169.4-1.9115.1R47R47-R49 PolarHBondContact O-N 3.31Å; R47-R49 VanDerWaalsContact O-N 3.14Å
50R42.2Very low43.2Very low236 Ų236171.7 Ų171.789%0.89178%0.784SS**  176.692.5114.8-98.2162.3170.2156.7-3.7110
51S40.3Very low43.3Very low98 Ų98169.9 Ų169.969%0.68577%0.772SS**  25119.9126.627.80000117.3
52R45.6Very low43.5Very low234 Ų234167.7 Ų167.788%0.88376%0.763SS**  trans67.187.2140.4-65.6176173.5159.6-2.8114.5G54R52-G54 PolarHBondContact O-N 3.41Å
53S43.8Very low43.5Very low130 Ų130166.3 Ų166.391%0.90975%0.753SS**  trans-33.278.614529.30000113.5
54G44.5Very low43.7Very low62 Ų62159.7 Ų159.764%0.63974%0.736SS**  trans-122.79.6175.500000114.1R52R52-G54 PolarHBondContact O-N 3.41Å
55S48.4Very low44.4Very low100 Ų100157.7 Ų157.770%0.69974%0.739SS**G310 helixtrans-97.41.8-163.947.20000116.2R57S55-R57 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 3.26Å
56R46.1Very low45.1Very low238 Ų238162.2 Ų162.290%0.89875%0.747SS**G310 helixtrans-82.6-1.1178.6-68.5-174.4-176.7173.41.4115.2
57R46.3Very low46.8Very low233 Ų233154.4 Ų154.488%0.87972%0.724SS**G310 helixtrans-102.9-4.4-179.8-70.9-171173.3-165.2-1.3115.3S55S55-R57 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 3.26Å
58R44.4Very low48.7Very low194 Ų194147.1 Ų147.173%0.73270%0.697SS**SBendtrans-107.15.5-175.5-82.3-178.3171.8178.5-2.5115.9
59S43.5Very low50.9Low106 Ų106141 Ų14174%0.74167%0.674SS**SBendtrans-97.7-2-179.950.50000114.8
60R47.3Very low53.3Low241 Ų241130.9 Ų130.991%0.90964%0.636SS**SBendtrans-96.8-3.8173.1-72.1-179177.8158.3-1.9114.1
61S44.4Very low55.5Low75 Ų75121.8 Ų121.852%0.52460%0.603SS.*SBendtrans-121.617.9-161.959.80000115.8
62R45.3Very low57.9Low203 Ų203117.1 Ų117.177%0.76657%0.571SS**SBendtrans-132.710.5-177.8-71.8-174.4173.3176.4-4.4116
63S42.9Very low59.9Low88 Ų88106.2 Ų106.262%0.61553%0.531SS*.  trans-99.112.7170.578.70000114S65S63-S65 PolarHBondContact O-N 2.85Å
64S47.8Very low61.9Low48 Ų48104.4 Ų104.434%0.33651%0.512SS..  trans-75.310.2179.4-173.20000114.3R66 G67 Y68S64-R66 PolarHBondContact O-N 3.21Å; S64-G67 PolarHBondContact O-N 3.02Å; S64-Y68 PolarHBondContact OG-OH 3.38Å
65S52.3Low63.8Low111 Ų111102.1 Ų102.178%0.77649%0.485SS*.THydrogen-bonded Turntrans-71.34-167.9-660000116S63S63-S65 PolarHBondContact O-N 2.85Å
66R60.6Low65.4Low208 Ų208101.1 Ų101.179%0.78547%0.471SS*.THydrogen-bonded Turntrans-142.318.1172.8-71.9-171.6177.5175.2-6114.5S64S64-R66 PolarHBondContact O-N 3.21Å
67G72.8Confident67.1Low21 Ų2193.6 Ų93.622%0.21646%0.455CS..  trans105.2174.7-177.900000114.4S64 F111S64-G67 PolarHBondContact O-N 3.02Å; G67-F111 CarbonylContact C-O 3.54Å; G67-F111 WeakPolarHBondContact CA-O 3.39Å
68Y82.8Confident68.8Low70 Ų7086.7 Ų86.728%0.27544%0.442SS..EExtended strand (participates in β ladder)trans-101.1106.6-175.9-64.1-88.8000109.8S64 F111 N112 N113 R114S64-Y68 PolarHBondContact OG-OH 3.38Å; Y68-F111 PolarHBondContact N-O 2.88Å; Y68-F111 PolarHBondContact O-N 2.87Å; Y68-N112 WeakPolarHBondContact CD2-O 3.18Å; Y68-N113 WeakPolarHBondContact CD2-O 3.48Å; Y68-R114 HydrophobicContact CD1-CB 3.76Å; Y68-R114 HydrophobicContact CD1-CG 3.66Å; Y68-R114 HydrophobicContact CD2-CB 4.11Å; Y68-R114 HydrophobicContact CE1-CB 3.39Å; Y68-R114 HydrophobicContact CE1-CG 3.42Å; Y68-R114 VanDerWaalsContact CE1-CG 3.42Å; Y68-R114 HydrophobicContact CE2-CB 3.76Å; Y68-R114 HydrophobicContact CG-CB 4.1Å; Y68-R114 HydrophobicContact CG-CG 4.39Å
69R87.4Confident70.6Confident53 Ų5377.9 Ų77.920%0.241%0.41CS..EExtended strand (participates in β ladder)trans-88.1133.6-175.2-169.4-177.9-169.7-160.65.5111.1F108 V109 V110 A139R69-F108 HydrophobicContact CG-CB 4.37Å; R69-F108 HydrophobicContact CG-CD1 4.11Å; R69-F108 VanDerWaalsContact CZ-CD1 3.42Å; R69-F108 VanDerWaalsContact CZ-CG 3.42Å; R69-F108 VanDerWaalsContact NE-CG 3.34Å; R69-F108 VanDerWaalsContact NH2-CE2 3.27Å; R69-V109 CarbonylContact C-O 3.46Å; R69-V109 WeakPolarHBondContact CA-O 3.18Å; R69-V110 HydrophobicContact CB-CG2 4.19Å; R69-V110 HydrophobicContact CG-CG2 3.99Å; R69-A139 HydrophobicContact CB-CB 3.81Å; R69-A139 HydrophobicContact CG-CB 3.58Å; R69-A139 WeakPolarHBondContact O-CB 3Å; R69-A139 PolarHBondContact O-N 2.71Å
70V90.1Very high72.6Confident0 Ų075.9 Ų75.90%039%0.394CS..EExtended strand (participates in β ladder)trans-112.2136.1175.8175.80000107.9I72 F108 V109 F111 A117 V121 V136V70-I72 HydrophobicContact CG1-CG1 4.48Å; V70-F108 VanDerWaalsContact O-CA 3.29Å; V70-F108 WeakPolarHBondContact O-CA 3.44Å; V70-V109 PolarHBondContact N-O 3.13Å; V70-V109 PolarHBondContact O-N 2.84Å; V70-F111 HydrophobicContact CB-CE2 4.36Å; V70-F111 HydrophobicContact CG2-CD2 3.77Å; V70-F111 HydrophobicContact CG2-CE2 3.81Å; V70-A117 HydrophobicContact CG2-CB 3.91Å; V70-V121 HydrophobicContact CB-CG2 4.47Å; V70-V121 HydrophobicContact CG1-CG2 3.82Å; V70-V121 HydrophobicContact CG2-CG2 3.88Å; V70-V136 HydrophobicContact CG1-CG1 3.26Å
71H89.7Confident74.5Confident44 Ų4469.5 Ų69.520%0.20437%0.374CS..EExtended strand (participates in β ladder)trans-101.5130.5175169.1-89.1000108.8F108 V136 S137 A139H71-F108 HydrophobicContact CB-CD1 4.05Å; H71-F108 HydrophobicContact CB-CE1 3.81Å; H71-F108 AromaticContact CD2-CE1 3.49Å; H71-F108 VanDerWaalsContact CD2-CE1 3.49Å; H71-F108 WeakPolarHBondContact CD2-CE1 3.17Å; H71-F108 AromaticContact CD2-CZ 3.7Å; H71-V136 CarbonylContact O-C 3.57Å; H71-V136 WeakPolarHBondContact O-CA 3.46Å; H71-S137 PolarHBondContact N-O 3.24Å; H71-S137 PolarHBondContact O-N 2.77Å; H71-A139 HydrophobicContact CB-CB 4.03Å
72I89.8Confident76.7Confident0 Ų075.5 Ų75.50%039%0.385CS..EExtended strand (participates in β ladder)trans-116.9114.5176.6-52.8159.8000105.9V70 I75 L84 F88 F106 A107 V109 L134 R135 V136V70-I72 HydrophobicContact CG1-CG1 4.48Å; I72-I75 HydrophobicContact CB-CD1 4.07Å; I72-I75 HydrophobicContact CG2-CD1 3.67Å; I72-I75 HydrophobicContact CG2-CG1 3.88Å; I72-L84 HydrophobicContact CD1-CD1 4.49Å; I72-L84 HydrophobicContact CD1-CD2 4.38Å; I72-F88 HydrophobicContact CD1-CD2 3.94Å; I72-F88 HydrophobicContact CD1-CE1 4.3Å; I72-F88 HydrophobicContact CD1-CE2 3.26Å; I72-F88 HydrophobicContact CD1-CZ 3.46Å; I72-F88 VanDerWaalsContact CD1-CZ 3.46Å; I72-F88 HydrophobicContact CG1-CE2 4Å; I72-F88 HydrophobicContact CG1-CZ 3.71Å; I72-F106 CarbonylContact O-C 3.58Å; I72-F106 VanDerWaalsContact O-CA 3.28Å; I72-F106 WeakPolarHBondContact O-CA 3.16Å; I72-F106 WeakPolarHBondContact O-CB 3.48Å; I72-A107 HydrophobicContact CB-CB 4.21Å; I72-A107 HydrophobicContact CD1-CB 4.17Å; I72-A107 PolarHBondContact N-O 2.82Å; I72-A107 PolarHBondContact O-N 3.46Å; I72-V109 HydrophobicContact CD1-CB 4.49Å; I72-V109 HydrophobicContact CD1-CG2 3.6Å; I72-L134 HydrophobicContact CG2-CB 4.38Å; I72-L134 HydrophobicContact CG2-CD1 4.39Å; I72-L134 HydrophobicContact CG2-CD2 4.04Å; I72-R135 CarbonylContact C-O 3.53Å; I72-R135 WeakPolarHBondContact CA-O 3.49Å; I72-V136 HydrophobicContact CG1-CG1 4.48Å; I72-V136 HydrophobicContact CG1-CG2 4.47Å; I72-V136 HydrophobicContact CG2-CG2 4.44Å
73G87.7Confident78.8Confident5 Ų568.9 Ų68.95%0.05237%0.365CS..EExtended strand (participates in β ladder)trans-110.5177.717200000110.8R135G73-R135 PolarHBondContact N-O 3.14Å; G73-R135 PolarHBondContact O-N 2.84Å
74D85Confident80.9Confident93 Ų9364.7 Ų64.750%0.49734%0.336SS..SBendtrans59.150178.7-53.6-38000111.3R135D74-R135 HydrophobicContact CB-CB 4.14Å; D74-R135 IonicContact OD1-NH1 3.74Å; D74-R135 WeakPolarHBondContact OD2-CB 3.28Å; D74-R135 VanDerWaalsContact OD2-CD 3.32Å; D74-R135 WeakPolarHBondContact OD2-CD 3.24Å; D74-R135 IonicContact OD2-CZ 3.74Å; D74-R135 IonicContact OD2-NE 3.82Å; D74-R135 IonicContact OD2-NH1 2.94Å; D74-R135 PolarHBondContact OD2-NH1 3.37Å
75I84.6Confident83Confident14 Ų1464.1 Ų64.17%0.07233%0.331CS..  trans-100144.8178.1-49.4180000108.5I72 L79 L84 M99 Y105 A107 L134I72-I75 HydrophobicContact CB-CD1 4.07Å; I72-I75 HydrophobicContact CG2-CD1 3.67Å; I72-I75 HydrophobicContact CG2-CG1 3.88Å; I75-L79 HydrophobicContact CG2-CB 3.71Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; I75-L84 HydrophobicContact CD1-CD1 4.16Å; I75-M99 HydrophobicContact CG2-CE 4.2Å; I75-Y105 WeakPolarHBondContact O-CB 3.29Å; I75-A107 HydrophobicContact CD1-CB 3.52Å; I75-A107 VanDerWaalsContact CD1-N 3.34Å; I75-L134 HydrophobicContact CG1-CD2 4.39Å
76D82Confident84.8Confident79 Ų7963.9 Ų63.942%0.42232%0.322SS..  trans-103.2165.2171.1-158.7-1.9000111.4S78 L79 C132D76-S78 PolarHBondContact O-N 2.89Å; D76-S78 VanDerWaalsContact O-N 3.15Å; D76-L79 PolarHBondContact O-N 3.31Å; D76-L79 VanDerWaalsContact O-N 3.13Å; D76-C132 WeakPolarHBondContact CB-SG 3.4Å
77S81.5Confident86.1Confident80 Ų8054.8 Ų54.856%0.55929%0.291SS*.THydrogen-bonded Turntrans-57.3-22.1175.1610000114.3L79S77-L79 VanDerWaalsContact C-N 3.31Å; S77-L79 PolarHBondContact O-N 2.94Å
78S82.1Confident86.9Confident87 Ų8753.8 Ų53.861%0.60828%0.28SS*.THydrogen-bonded Turntrans-71.5-22.8177.4-54.30000113.7D76D76-S78 PolarHBondContact O-N 2.89Å; D76-S78 VanDerWaalsContact O-N 3.15Å
79L84.1Confident87.3Confident9 Ų957 Ų575%0.04730%0.296CS..  trans-87.1128.6-178.9-81.4173.8000111.3I75 D76 S77 D83 M99 V129 C132 L134I75-L79 HydrophobicContact CG2-CB 3.71Å; I75-L79 HydrophobicContact CG2-CD1 3.77Å; I75-L79 HydrophobicContact CG2-CG 4.39Å; D76-L79 PolarHBondContact O-N 3.31Å; D76-L79 VanDerWaalsContact O-N 3.13Å; S77-L79 VanDerWaalsContact C-N 3.31Å; S77-L79 PolarHBondContact O-N 2.94Å; L79-D83 HydrophobicContact CD2-CB 4Å; L79-M99 WeakPolarHBondContact O-CE 3.49Å; L79-V129 HydrophobicContact CD2-CB 3.91Å; L79-V129 HydrophobicContact CD2-CG1 3.51Å; L79-C132 HydrophobicContact CD1-CB 3.49Å; L79-C132 VanDerWaalsContact CD1-CB 3.49Å; L79-C132 HydrophobicContact CG-CB 4.13Å; L79-L134 HydrophobicContact CD1-CD2 3.56Å
80T85.3Confident87.4Confident65 Ų6561.4 Ų61.440%0.39932%0.316SS..  trans-99.7162.7176.5710000111.9R82 D83 L84T80-R82 PolarHBondContact O-N 3.38Å; T80-R82 PolarHBondContact OG1-N 3.2Å; T80-D83 WeakPolarHBondContact CB-OD2 3.18Å; T80-D83 PolarHBondContact N-OD2 2.86Å; T80-D83 PolarHBondContact O-N 3.38Å; T80-D83 VanDerWaalsContact OG1-CG 3.3Å; T80-D83 PolarHBondContact OG1-N 2.95Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; T80-L84 PolarHBondContact O-N 3.02Å
81E87.5Confident87.3Confident106 Ų10663.4 Ų63.450%0.49533%0.325SS..Hα-helixtrans-53.5-34170.3-170.7-170.3150.100111.8S85 V97E81-S85 VanDerWaalsContact O-CB 3.29Å; E81-S85 WeakPolarHBondContact O-CB 3.48Å; E81-S85 PolarHBondContact O-N 3.05Å; E81-V97 HydrophobicContact CG-CB 4.34Å; E81-V97 HydrophobicContact CG-CG1 3.65Å
82R88.8Confident87.2Confident201 Ų20162.1 Ų62.176%0.75832%0.324SS*.Hα-helixtrans-66.1-46.3178.9-66.2-177.2176.7176-0.6111.5T80 L84 S85 D86T80-R82 PolarHBondContact O-N 3.38Å; T80-R82 PolarHBondContact OG1-N 3.2Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.5Å; R82-S85 WeakPolarHBondContact O-CB 3.28Å; R82-S85 PolarHBondContact O-N 2.74Å; R82-S85 VanDerWaalsContact O-N 3.13Å; R82-D86 PolarHBondContact O-N 2.81Å
83D89.1Confident87.1Confident65 Ų6570.3 Ų70.335%0.34836%0.359SS..Hα-helixtrans-61.1-41.8179.1-55.4-53.5000111.3L79 T80 A87 V129L79-D83 HydrophobicContact CD2-CB 4Å; T80-D83 WeakPolarHBondContact CB-OD2 3.18Å; T80-D83 PolarHBondContact N-OD2 2.86Å; T80-D83 PolarHBondContact O-N 3.38Å; T80-D83 VanDerWaalsContact OG1-CG 3.3Å; T80-D83 PolarHBondContact OG1-N 2.95Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; D83-A87 WeakPolarHBondContact O-CB 3.42Å; D83-A87 PolarHBondContact O-N 2.79Å; D83-V129 HydrophobicContact CB-CG1 4.33Å
84L88.9Confident87.1Confident0 Ų072.1 Ų72.10%037%0.368CS..Hα-helixtrans-65.6-46.9174.1-63.4176.9000110.7I72 I75 T80 R82 D86 A87 F88 A107 L134I72-L84 HydrophobicContact CD1-CD1 4.49Å; I72-L84 HydrophobicContact CD1-CD2 4.38Å; I75-L84 HydrophobicContact CD1-CD1 4.16Å; T80-L84 PolarHBondContact O-N 3.02Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.5Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 3.29Å; L84-A87 PolarHBondContact O-N 3.04Å; L84-F88 HydrophobicContact CB-CD2 4.39Å; L84-F88 HydrophobicContact CD2-CE2 4.15Å; L84-F88 WeakPolarHBondContact O-CB 3.37Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å; L84-F88 PolarHBondContact O-N 2.94Å; L84-A107 HydrophobicContact CD1-CB 3.49Å; L84-A107 VanDerWaalsContact CD1-CB 3.49Å; L84-L134 HydrophobicContact CD2-CD1 4.05Å; L84-L134 HydrophobicContact CD2-CD2 4.37Å
85S90.2Very high87.2Confident35 Ų3572.7 Ų72.725%0.24537%0.371CS..Hα-helixtrans-55.5-49.4177.9-171.70000111.3E81 R82 F88 K89E81-S85 VanDerWaalsContact O-CB 3.29Å; E81-S85 WeakPolarHBondContact O-CB 3.48Å; E81-S85 PolarHBondContact O-N 3.05Å; R82-S85 WeakPolarHBondContact O-CB 3.28Å; R82-S85 PolarHBondContact O-N 2.74Å; R82-S85 VanDerWaalsContact O-N 3.13Å; S85-F88 PolarHBondContact O-N 2.75Å; S85-K89 WeakPolarHBondContact O-CB 3.46Å; S85-K89 PolarHBondContact O-N 2.88Å
86D90.4Very high87.3Confident107 Ų10776.6 Ų76.657%0.57239%0.389SS*.Hα-helixtrans-66.4-41.6-179.4-71.4-26000112.1R82 L84 F88R82-D86 PolarHBondContact O-N 2.81Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 3.29Å; D86-F88 PolarHBondContact O-N 2.74Å
87A89.1Confident87.6Confident16 Ų1674.2 Ų74.213%0.13238%0.377CS..Hα-helixtrans-66.4-35.2177.800000113.1D83 L84 K90 M124 V129D83-A87 WeakPolarHBondContact O-CB 3.42Å; D83-A87 PolarHBondContact O-N 2.79Å; L84-A87 PolarHBondContact O-N 3.04Å; A87-K90 VanDerWaalsContact O-CD 3.29Å; A87-K90 WeakPolarHBondContact O-CD 3.45Å; A87-K90 WeakPolarHBondContact O-CE 3.34Å; A87-K90 VanDerWaalsContact O-CG 3.28Å; A87-K90 WeakPolarHBondContact O-CG 3.29Å; A87-M124 HydrophobicContact CB-CE 3.79Å; A87-V129 HydrophobicContact CB-CG2 4.28Å
88F89.4Confident87.9Confident0 Ų075.2 Ų75.20%037%0.369CS..Hα-helixtrans-90.2-25.2-178.4-78-84000113.2I72 L84 S85 D86 K90 F91 L94 V109 F111 A120 M124 L134 V136I72-F88 HydrophobicContact CD1-CD2 3.94Å; I72-F88 HydrophobicContact CD1-CE1 4.3Å; I72-F88 HydrophobicContact CD1-CE2 3.26Å; I72-F88 HydrophobicContact CD1-CZ 3.46Å; I72-F88 VanDerWaalsContact CD1-CZ 3.46Å; I72-F88 HydrophobicContact CG1-CE2 4Å; I72-F88 HydrophobicContact CG1-CZ 3.71Å; L84-F88 HydrophobicContact CB-CD2 4.39Å; L84-F88 HydrophobicContact CD2-CE2 4.15Å; L84-F88 WeakPolarHBondContact O-CB 3.37Å; L84-F88 WeakPolarHBondContact O-CD2 3.43Å; L84-F88 PolarHBondContact O-N 2.94Å; S85-F88 PolarHBondContact O-N 2.75Å; D86-F88 PolarHBondContact O-N 2.74Å; F88-K90 PolarHBondContact O-N 2.63Å; F88-F91 PolarHBondContact O-N 3.22Å; F88-F91 VanDerWaalsContact O-N 3.15Å; F88-L94 HydrophobicContact CB-CD1 4.22Å; F88-L94 HydrophobicContact CB-CD2 4.11Å; F88-V109 HydrophobicContact CB-CG1 4.36Å; F88-V109 HydrophobicContact CD2-CG2 4.32Å; F88-V109 HydrophobicContact CG-CG2 4.35Å; F88-F111 HydrophobicContact CB-CZ 4.1Å; F88-F111 HydrophobicContact CD1-CE2 4.21Å; F88-F111 AromaticContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CG-CZ 4.47Å; F88-A120 HydrophobicContact CD1-CB 4.01Å; F88-A120 HydrophobicContact CE1-CB 4.25Å; F88-M124 HydrophobicContact CD1-CG 4.27Å; F88-M124 HydrophobicContact CE1-CB 3.91Å; F88-M124 HydrophobicContact CE1-CG 3.81Å; F88-M124 HydrophobicContact CE2-CE 4.29Å; F88-M124 HydrophobicContact CZ-CB 3.93Å; F88-M124 HydrophobicContact CZ-CE 4.38Å; F88-M124 HydrophobicContact CZ-CG 4.07Å; F88-L134 HydrophobicContact CE2-CD1 4.25Å; F88-V136 HydrophobicContact CE1-CG1 4.11Å; F88-V136 HydrophobicContact CZ-CG1 4.2Å; F88-V136 HydrophobicContact CZ-CG2 3.96Å
89K89.6Confident88.2Confident139 Ų13973.1 Ų73.160%0.60435%0.349SS*.Hα-helixtrans-60.9-25.9177.3-179.5178.1179.3-174.70113.1S85 F91 G92 L94S85-K89 WeakPolarHBondContact O-CB 3.46Å; S85-K89 PolarHBondContact O-N 2.88Å; K89-F91 PolarHBondContact O-N 3.35Å; K89-G92 PolarHBondContact O-N 3.18Å; K89-L94 HydrophobicContact CB-CD1 4.43Å
90K89.7Confident88.1Confident144 Ų14472.7 Ų72.763%0.62635%0.348SS*.THydrogen-bonded Turntrans-64.2-24176.376.8-167.3178.2-1750114.1A87 F88A87-K90 VanDerWaalsContact O-CD 3.29Å; A87-K90 WeakPolarHBondContact O-CD 3.45Å; A87-K90 WeakPolarHBondContact O-CE 3.34Å; A87-K90 VanDerWaalsContact O-CG 3.28Å; A87-K90 WeakPolarHBondContact O-CG 3.29Å; F88-K90 PolarHBondContact O-N 2.63Å
91F88.6Confident87.6Confident42 Ų4275.9 Ų75.918%0.18437%0.367CS..THydrogen-bonded Turntrans-90.2-25.6179.5-59-76.5000113.2F88 K89 F111 D119 A120 Y123 M124F88-F91 PolarHBondContact O-N 3.22Å; F88-F91 VanDerWaalsContact O-N 3.15Å; K89-F91 PolarHBondContact O-N 3.35Å; F91-F111 HydrophobicContact CB-CE1 4.35Å; F91-D119 HydrophobicContact CD1-CB 4.45Å; F91-A120 HydrophobicContact CB-CB 4Å; F91-A120 HydrophobicContact CD2-CB 3.77Å; F91-A120 HydrophobicContact CE2-CB 4.38Å; F91-A120 HydrophobicContact CG-CB 3.84Å; F91-Y123 HydrophobicContact CD1-CD2 4.27Å; F91-Y123 VanDerWaalsContact CE1-CB 3.47Å; F91-Y123 AromaticContact CE1-CD2 3.67Å; F91-Y123 HydrophobicContact CE1-CD2 3.67Å; F91-Y123 AromaticContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CZ-CG 4.4Å; F91-M124 HydrophobicContact CD2-CG 4.25Å; F91-M124 HydrophobicContact CE2-CG 3.23Å; F91-M124 HydrophobicContact CE2-SD 3.52Å; F91-M124 VanDerWaalsContact CE2-SD 3.52Å; F91-M124 HydrophobicContact CZ-CG 3.59Å; F91-M124 HydrophobicContact CZ-SD 3.74Å
92G87.1Confident87.1Confident17 Ų1776.8 Ų76.818%0.17537%0.367CS..SBendtrans170.8177.5-177.700000113.7K89 L94K89-G92 PolarHBondContact O-N 3.18Å; G92-L94 PolarHBondContact O-N 2.84Å
93K87.4Confident86.4Confident172 Ų17270.7 Ų70.775%0.74836%0.359SS*.  trans-71.8120.1179.5-67-177.3-179.3-179.80110.6N112K93-N112 PolarHBondContact O-N 2.73Å
94L88.5Confident85.7Confident43 Ų4371 Ų7123%0.22536%0.364CS..EExtended strand (participates in β ladder)trans-79.3130173.2-50.4-174.4000109.4F88 K89 G92 V97 V109 F111F88-L94 HydrophobicContact CB-CD1 4.22Å; F88-L94 HydrophobicContact CB-CD2 4.11Å; K89-L94 HydrophobicContact CB-CD1 4.43Å; G92-L94 PolarHBondContact O-N 2.84Å; L94-V97 HydrophobicContact CB-CG2 4.28Å; L94-V97 HydrophobicContact CD1-CG2 3.74Å; L94-V109 HydrophobicContact CD1-CG1 4.28Å; L94-V109 HydrophobicContact CD2-CG1 3.4Å; L94-V109 VanDerWaalsContact CD2-CG1 3.4Å; L94-V109 HydrophobicContact CG-CG1 4.3Å; L94-F111 HydrophobicContact CD2-CD1 3.82Å; L94-F111 HydrophobicContact CD2-CE1 3.34Å; L94-F111 HydrophobicContact CD2-CE2 4.28Å; L94-F111 HydrophobicContact CD2-CG 4.46Å; L94-F111 HydrophobicContact CD2-CZ 3.6Å
95N87.4Confident85.4Confident105 Ų10574.9 Ų74.956%0.56138%0.38SS*.EExtended strand (participates in β ladder)trans-91.1-39.4175-169.429.3000111.2V110N95-V110 HydrophobicContact CB-CB 4.3Å; N95-V110 HydrophobicContact CB-CG1 4.1Å; N95-V110 WeakPolarHBondContact CB-O 3.46Å; N95-V110 PolarHBondContact N-O 3.2Å
96E86.1Confident85.2Confident97 Ų9775.1 Ų75.145%0.45338%0.376SS..EExtended strand (participates in β ladder)trans-150.9135.9-179.1-171.7-177.517300109.1V109 V110E96-V109 CarbonylContact O-C 3.58Å; E96-V109 WeakPolarHBondContact O-CA 3.13Å; E96-V110 HydrophobicContact CB-CB 3.96Å; E96-V110 HydrophobicContact CB-CG2 3.91Å; E96-V110 PolarHBondContact N-O 2.73Å; E96-V110 PolarHBondContact O-N 2.81Å
97V88.8Confident85.1Confident29 Ų2970 Ų7018%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-120.8133169.9-174.80000106.9E81 L94 V109E81-V97 HydrophobicContact CG-CB 4.34Å; E81-V97 HydrophobicContact CG-CG1 3.65Å; L94-V97 HydrophobicContact CB-CG2 4.28Å; L94-V97 HydrophobicContact CD1-CG2 3.74Å; V97-V109 HydrophobicContact CG1-CG2 4.3Å
98W88.1Confident85.2Confident101 Ų10170.8 Ų70.838%0.38335%0.35SS..EExtended strand (participates in β ladder)trans-139.9133.8178.7-179.989.9000108.8A100 F106 A107 F108W98-A100 HydrophobicContact CH2-CB 3.71Å; W98-A100 HydrophobicContact CZ3-CB 3.77Å; W98-F106 HydrophobicContact CE3-CE2 4.45Å; W98-F106 HydrophobicContact CH2-CD2 4.3Å; W98-F106 AromaticContact CH2-CE2 3.47Å; W98-F106 HydrophobicContact CH2-CE2 3.47Å; W98-F106 VanDerWaalsContact CH2-CE2 3.47Å; W98-F106 AromaticContact CH2-CZ 3.94Å; W98-F106 HydrophobicContact CH2-CZ 3.94Å; W98-F106 AromaticContact CZ3-CD2 3.62Å; W98-F106 HydrophobicContact CZ3-CD2 3.62Å; W98-F106 AromaticContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CZ 4.11Å; W98-A107 CarbonylContact O-C 3.54Å; W98-A107 VanDerWaalsContact O-CA 3.22Å; W98-A107 WeakPolarHBondContact O-CA 3.17Å; W98-A107 WeakPolarHBondContact O-CB 3.39Å; W98-F108 AromaticContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CD2 3.49Å; W98-F108 VanDerWaalsContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CE2 4.21Å; W98-F108 HydrophobicContact CE3-CG 4.49Å; W98-F108 AromaticContact CZ3-CD2 3.67Å; W98-F108 HydrophobicContact CZ3-CD2 3.67Å; W98-F108 AromaticContact CZ3-CE2 3.94Å; W98-F108 HydrophobicContact CZ3-CE2 3.94Å; W98-F108 PolarHBondContact N-O 2.78Å; W98-F108 PolarHBondContact O-N 2.86Å
99M87.2Confident85.2Confident42 Ų4270.8 Ų70.821%0.20735%0.35CS..EExtended strand (participates in β ladder)trans-122.5136.9177.9-172.3179.3174.100109.7I75 L79 A107I75-M99 HydrophobicContact CG2-CE 4.2Å; L79-M99 WeakPolarHBondContact O-CE 3.49Å; M99-A107 HydrophobicContact CB-CB 4.4Å; M99-A107 HydrophobicContact CG-CB 4.35Å
100A82.9Confident85.2Confident1 Ų164.6 Ų64.61%0.00832%0.324CS..  trans-75.4127.8172.700000109.4W98 Y102 F106W98-A100 HydrophobicContact CH2-CB 3.71Å; W98-A100 HydrophobicContact CZ3-CB 3.77Å; A100-Y102 VanDerWaalsContact C-N 3.33Å; A100-F106 HydrophobicContact CB-CD1 3.89Å; A100-F106 HydrophobicContact CB-CD2 3.96Å; A100-F106 HydrophobicContact CB-CE1 3.68Å; A100-F106 HydrophobicContact CB-CE2 3.8Å; A100-F106 HydrophobicContact CB-CG 3.98Å; A100-F106 HydrophobicContact CB-CZ 3.63Å; A100-F106 VanDerWaalsContact CB-O 3.24Å; A100-F106 WeakPolarHBondContact CB-O 3.31Å; A100-F106 PolarHBondContact N-O 3.18Å
101T75.6Confident85.2Confident131 Ų13157.8 Ų57.880%0.80429%0.294SS*.SBendtrans-83.1-10.9179.250.70000113.5
102Y76.4Confident85.1Confident126 Ų12660.5 Ų60.549%0.49431%0.31SS..SBendtrans-119.3144.6-177.762-89.4000110.8A100 P104A100-Y102 VanDerWaalsContact C-N 3.33Å; Y102-P104 CarbonylContact O-C 3.45Å; Y102-P104 VanDerWaalsContact O-O 3.09Å
103A74.5Confident85Confident72 Ų7263 Ų6360%0.59532%0.32SS*.SBendtrans-63.2144.117700000111.7Y105A103-Y105 HydrophobicContact CB-CE2 4.38Å
104P72.8Confident85Confident71 Ų7161 Ų6146%0.46131%0.308SS..SBendcis-68.6134.8-2.829.2-33.8000110.6Y102 F106Y102-P104 CarbonylContact O-C 3.45Å; Y102-P104 VanDerWaalsContact O-O 3.09Å; P104-F106 HydrophobicContact CG-CD1 4.45Å; P104-F106 WeakPolarHBondContact O-CD1 3.27Å; P104-F106 WeakPolarHBondContact O-CE1 3.41Å; P104-F106 PolarHBondContact O-N 3.4Å
105Y82.8Confident85.1Confident82 Ų8264 Ų6432%0.32232%0.324SS..PPolyproline II helixtrans-68.8120.8179.2-57.8-79.4000109.1I75 A103I75-Y105 WeakPolarHBondContact O-CB 3.29Å; A103-Y105 HydrophobicContact CB-CE2 4.38Å
106F87.2Confident85.2Confident40 Ų4060.3 Ų60.318%0.17530%0.304CS..  trans-137.1155.2173.557.1-90.5000109.7I72 W98 A100 P104 F108I72-F106 CarbonylContact O-C 3.58Å; I72-F106 VanDerWaalsContact O-CA 3.28Å; I72-F106 WeakPolarHBondContact O-CA 3.16Å; I72-F106 WeakPolarHBondContact O-CB 3.48Å; W98-F106 HydrophobicContact CE3-CE2 4.45Å; W98-F106 HydrophobicContact CH2-CD2 4.3Å; W98-F106 AromaticContact CH2-CE2 3.47Å; W98-F106 HydrophobicContact CH2-CE2 3.47Å; W98-F106 VanDerWaalsContact CH2-CE2 3.47Å; W98-F106 AromaticContact CH2-CZ 3.94Å; W98-F106 HydrophobicContact CH2-CZ 3.94Å; W98-F106 AromaticContact CZ3-CD2 3.62Å; W98-F106 HydrophobicContact CZ3-CD2 3.62Å; W98-F106 AromaticContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CE2 3.21Å; W98-F106 HydrophobicContact CZ3-CZ 4.11Å; A100-F106 HydrophobicContact CB-CD1 3.89Å; A100-F106 HydrophobicContact CB-CD2 3.96Å; A100-F106 HydrophobicContact CB-CE1 3.68Å; A100-F106 HydrophobicContact CB-CE2 3.8Å; A100-F106 HydrophobicContact CB-CG 3.98Å; A100-F106 HydrophobicContact CB-CZ 3.63Å; A100-F106 VanDerWaalsContact CB-O 3.24Å; A100-F106 WeakPolarHBondContact CB-O 3.31Å; A100-F106 PolarHBondContact N-O 3.18Å; P104-F106 HydrophobicContact CG-CD1 4.45Å; P104-F106 WeakPolarHBondContact O-CD1 3.27Å; P104-F106 WeakPolarHBondContact O-CE1 3.41Å; P104-F106 PolarHBondContact O-N 3.4Å; F106-F108 HydrophobicContact CD2-CD2 4.07Å; F106-F108 AromaticContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CZ 4.17Å; F106-F108 HydrophobicContact CE2-CD2 4.31Å; F106-F108 AromaticContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CZ 4.36Å
107A89Confident85.3Confident0 Ų055.7 Ų55.70%028%0.282CS..EExtended strand (participates in β ladder)trans-131.7158.8176.600000110.7I72 I75 L84 W98 M99I72-A107 HydrophobicContact CB-CB 4.21Å; I72-A107 HydrophobicContact CD1-CB 4.17Å; I72-A107 PolarHBondContact N-O 2.82Å; I72-A107 PolarHBondContact O-N 3.46Å; I75-A107 HydrophobicContact CD1-CB 3.52Å; I75-A107 VanDerWaalsContact CD1-N 3.34Å; L84-A107 HydrophobicContact CD1-CB 3.49Å; L84-A107 VanDerWaalsContact CD1-CB 3.49Å; W98-A107 CarbonylContact O-C 3.54Å; W98-A107 VanDerWaalsContact O-CA 3.22Å; W98-A107 WeakPolarHBondContact O-CA 3.17Å; W98-A107 WeakPolarHBondContact O-CB 3.39Å; M99-A107 HydrophobicContact CB-CB 4.4Å; M99-A107 HydrophobicContact CG-CB 4.35Å
108F89.5Confident85.4Confident32 Ų3257.1 Ų57.114%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-129.5133.7174.1-68.2-79.2000109.8R69 V70 H71 W98 F106 A139R69-F108 HydrophobicContact CG-CB 4.37Å; R69-F108 HydrophobicContact CG-CD1 4.11Å; R69-F108 VanDerWaalsContact CZ-CD1 3.42Å; R69-F108 VanDerWaalsContact CZ-CG 3.42Å; R69-F108 VanDerWaalsContact NE-CG 3.34Å; R69-F108 VanDerWaalsContact NH2-CE2 3.27Å; V70-F108 VanDerWaalsContact O-CA 3.29Å; V70-F108 WeakPolarHBondContact O-CA 3.44Å; H71-F108 HydrophobicContact CB-CD1 4.05Å; H71-F108 HydrophobicContact CB-CE1 3.81Å; H71-F108 AromaticContact CD2-CE1 3.49Å; H71-F108 VanDerWaalsContact CD2-CE1 3.49Å; H71-F108 WeakPolarHBondContact CD2-CE1 3.17Å; H71-F108 AromaticContact CD2-CZ 3.7Å; W98-F108 AromaticContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CD2 3.49Å; W98-F108 VanDerWaalsContact CE3-CD2 3.49Å; W98-F108 HydrophobicContact CE3-CE2 4.21Å; W98-F108 HydrophobicContact CE3-CG 4.49Å; W98-F108 AromaticContact CZ3-CD2 3.67Å; W98-F108 HydrophobicContact CZ3-CD2 3.67Å; W98-F108 AromaticContact CZ3-CE2 3.94Å; W98-F108 HydrophobicContact CZ3-CE2 3.94Å; W98-F108 PolarHBondContact N-O 2.78Å; W98-F108 PolarHBondContact O-N 2.86Å; F106-F108 HydrophobicContact CD2-CD2 4.07Å; F106-F108 AromaticContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CE2 3.5Å; F106-F108 HydrophobicContact CD2-CZ 4.17Å; F106-F108 HydrophobicContact CE2-CD2 4.31Å; F106-F108 AromaticContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CE2 3.56Å; F106-F108 HydrophobicContact CE2-CZ 4.36Å; F108-A139 HydrophobicContact CD1-CB 4.15Å; F108-A139 HydrophobicContact CE1-CB 4.14Å
109V90Very high85.5Confident0 Ų054.6 Ų54.60%028%0.281CS..EExtended strand (participates in β ladder)trans-121.9129.1175.8176.60000108R69 V70 I72 F88 L94 E96 V97 F111R69-V109 CarbonylContact C-O 3.46Å; R69-V109 WeakPolarHBondContact CA-O 3.18Å; V70-V109 PolarHBondContact N-O 3.13Å; V70-V109 PolarHBondContact O-N 2.84Å; I72-V109 HydrophobicContact CD1-CB 4.49Å; I72-V109 HydrophobicContact CD1-CG2 3.6Å; F88-V109 HydrophobicContact CB-CG1 4.36Å; F88-V109 HydrophobicContact CD2-CG2 4.32Å; F88-V109 HydrophobicContact CG-CG2 4.35Å; L94-V109 HydrophobicContact CD1-CG1 4.28Å; L94-V109 HydrophobicContact CD2-CG1 3.4Å; L94-V109 VanDerWaalsContact CD2-CG1 3.4Å; L94-V109 HydrophobicContact CG-CG1 4.3Å; E96-V109 CarbonylContact O-C 3.58Å; E96-V109 WeakPolarHBondContact O-CA 3.13Å; V97-V109 HydrophobicContact CG1-CG2 4.3Å; V109-F111 HydrophobicContact CB-CE2 4.33Å; V109-F111 HydrophobicContact CG1-CD2 4.07Å; V109-F111 HydrophobicContact CG1-CE2 3.6Å; V109-F111 HydrophobicContact CG1-CZ 3.99Å
110V89.2Confident85.7Confident10 Ų1052.6 Ų52.66%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-105.1119176.6-175.90000108.3R69 N95 E96R69-V110 HydrophobicContact CB-CG2 4.19Å; R69-V110 HydrophobicContact CG-CG2 3.99Å; N95-V110 HydrophobicContact CB-CB 4.3Å; N95-V110 HydrophobicContact CB-CG1 4.1Å; N95-V110 WeakPolarHBondContact CB-O 3.46Å; N95-V110 PolarHBondContact N-O 3.2Å; E96-V110 HydrophobicContact CB-CB 3.96Å; E96-V110 HydrophobicContact CB-CG2 3.91Å; E96-V110 PolarHBondContact N-O 2.73Å; E96-V110 PolarHBondContact O-N 2.81Å
111F89.6Confident86.1Confident0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-92.3151.8172.6-72.6-89000111.1G67 Y68 V70 F88 F91 L94 V109 D116 A117 A120G67-F111 CarbonylContact C-O 3.54Å; G67-F111 WeakPolarHBondContact CA-O 3.39Å; Y68-F111 PolarHBondContact N-O 2.88Å; Y68-F111 PolarHBondContact O-N 2.87Å; V70-F111 HydrophobicContact CB-CE2 4.36Å; V70-F111 HydrophobicContact CG2-CD2 3.77Å; V70-F111 HydrophobicContact CG2-CE2 3.81Å; F88-F111 HydrophobicContact CB-CZ 4.1Å; F88-F111 HydrophobicContact CD1-CE2 4.21Å; F88-F111 AromaticContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CD1-CZ 3.91Å; F88-F111 HydrophobicContact CG-CZ 4.47Å; F91-F111 HydrophobicContact CB-CE1 4.35Å; L94-F111 HydrophobicContact CD2-CD1 3.82Å; L94-F111 HydrophobicContact CD2-CE1 3.34Å; L94-F111 HydrophobicContact CD2-CE2 4.28Å; L94-F111 HydrophobicContact CD2-CG 4.46Å; L94-F111 HydrophobicContact CD2-CZ 3.6Å; V109-F111 HydrophobicContact CB-CE2 4.33Å; V109-F111 HydrophobicContact CG1-CD2 4.07Å; V109-F111 HydrophobicContact CG1-CE2 3.6Å; V109-F111 HydrophobicContact CG1-CZ 3.99Å; F111-D116 HydrophobicContact CD1-CB 3.87Å; F111-D116 HydrophobicContact CE1-CB 4.43Å; F111-D116 HydrophobicContact CG-CB 4.48Å; F111-A117 HydrophobicContact CB-CB 3.98Å; F111-A117 HydrophobicContact CD2-CB 3.8Å; F111-A117 HydrophobicContact CG-CB 4.05Å; F111-A120 HydrophobicContact CE1-CB 4.38Å; F111-A120 HydrophobicContact CE2-CB 3.86Å; F111-A120 HydrophobicContact CZ-CB 3.59Å
112N87Confident86.8Confident99 Ų9955 Ų5553%0.52927%0.268SS..SBendtrans-69.9-40.2171.1-171.145.2000111.8Y68 K93Y68-N112 WeakPolarHBondContact CD2-O 3.18Å; K93-N112 PolarHBondContact O-N 2.73Å
113N86.3Confident87.4Confident70 Ų7056.7 Ų56.737%0.37428%0.275SS..SBendtrans-107.3152.3-174.6-58.6-39.5000112.2Y68 D116 A117Y68-N113 WeakPolarHBondContact CD2-O 3.48Å; N113-D116 HydrophobicContact CB-CB 4.21Å; N113-D116 WeakPolarHBondContact CB-OD2 3.38Å; N113-D116 PolarHBondContact ND2-OD2 3.15Å; N113-A117 PolarHBondContact O-N 3.47Å
114R86.5Confident88.1Confident130 Ų13053.4 Ų53.449%0.49125%0.247SC..Hα-helixtrans-70.2-44176-166.7171.2167.5-161.2-16.2111.8Y68 A117 E118Y68-R114 HydrophobicContact CD1-CB 3.76Å; Y68-R114 HydrophobicContact CD1-CG 3.66Å; Y68-R114 HydrophobicContact CD2-CB 4.11Å; Y68-R114 HydrophobicContact CE1-CB 3.39Å; Y68-R114 HydrophobicContact CE1-CG 3.42Å; Y68-R114 VanDerWaalsContact CE1-CG 3.42Å; Y68-R114 HydrophobicContact CE2-CB 3.76Å; Y68-R114 HydrophobicContact CG-CB 4.1Å; Y68-R114 HydrophobicContact CG-CG 4.39Å; R114-A117 WeakPolarHBondContact O-CB 3.41Å; R114-A117 PolarHBondContact O-N 2.98Å; R114-E118 HydrophobicContact CG-CG 4.35Å; R114-E118 IonicContact CZ-OE1 2.75Å; R114-E118 IonicContact NE-OE1 3.1Å; R114-E118 PolarHBondContact NE-OE1 2.86Å; R114-E118 IonicContact NH2-OE1 2.74Å; R114-E118 PolarHBondContact NH2-OE1 3.44Å; R114-E118 PolarHBondContact O-N 3Å
115N89.5Confident89Confident105 Ų10554.1 Ų54.156%0.56125%0.247SC*.Hα-helixtrans-62.8-49.7-173.2-60.6-6.3000108.9A117 E118 D119N115-A117 VanDerWaalsContact C-N 3.28Å; N115-A117 PolarHBondContact O-N 3.45Å; N115-E118 CarbonylContact O-C 3.59Å; N115-E118 PolarHBondContact O-N 3.12Å; N115-D119 WeakPolarHBondContact O-CB 2.95Å; N115-D119 PolarHBondContact O-N 2.76Å
116D90.1Very high89.2Confident28 Ų2851.5 Ų51.515%0.1525%0.245CC..Hα-helixtrans-54.8-42.2175-50.17.9000111.9F111 N113 A120F111-D116 HydrophobicContact CD1-CB 3.87Å; F111-D116 HydrophobicContact CE1-CB 4.43Å; F111-D116 HydrophobicContact CG-CB 4.48Å; N113-D116 HydrophobicContact CB-CB 4.21Å; N113-D116 WeakPolarHBondContact CB-OD2 3.38Å; N113-D116 PolarHBondContact ND2-OD2 3.15Å; D116-A120 WeakPolarHBondContact O-CB 3.34Å; D116-A120 PolarHBondContact O-N 2.83Å
117A89.3Confident89.2Confident0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-67.9-4117600000112.9V70 F111 N113 R114 N115 V121 M138V70-A117 HydrophobicContact CG2-CB 3.91Å; F111-A117 HydrophobicContact CB-CB 3.98Å; F111-A117 HydrophobicContact CD2-CB 3.8Å; F111-A117 HydrophobicContact CG-CB 4.05Å; N113-A117 PolarHBondContact O-N 3.47Å; R114-A117 WeakPolarHBondContact O-CB 3.41Å; R114-A117 PolarHBondContact O-N 2.98Å; N115-A117 VanDerWaalsContact C-N 3.28Å; N115-A117 PolarHBondContact O-N 3.45Å; A117-V121 WeakPolarHBondContact O-CB 3.38Å; A117-V121 WeakPolarHBondContact O-CG2 3.42Å; A117-V121 PolarHBondContact O-N 2.83Å; A117-M138 VanDerWaalsContact C-CE 3.47Å; A117-M138 HydrophobicContact CB-CE 3.79Å; A117-M138 HydrophobicContact CB-SD 4.42Å
118E89.9Confident89.1Confident59 Ų5958.2 Ų58.228%0.27628%0.275SS..Hα-helixtrans-68.4-37.8177.5-77.2-178.9-179.800111.9R114 N115 R122 M138R114-E118 HydrophobicContact CG-CG 4.35Å; R114-E118 IonicContact CZ-OE1 2.75Å; R114-E118 IonicContact NE-OE1 3.1Å; R114-E118 PolarHBondContact NE-OE1 2.86Å; R114-E118 IonicContact NH2-OE1 2.74Å; R114-E118 PolarHBondContact NH2-OE1 3.44Å; R114-E118 PolarHBondContact O-N 3Å; N115-E118 CarbonylContact O-C 3.59Å; N115-E118 PolarHBondContact O-N 3.12Å; E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 VanDerWaalsContact O-CG 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.18Å; E118-R122 PolarHBondContact O-N 2.78Å; E118-R122 PolarHBondContact O-NE 3.25Å; E118-M138 VanDerWaalsContact CA-CE 3.5Å; E118-M138 HydrophobicContact CB-CE 4Å; E118-M138 HydrophobicContact CG-CE 3.26Å
119D91Very high88.8Confident49 Ų4957.8 Ų57.826%0.26228%0.275SS..Hα-helixtrans-65.9-50.6172.6-70.8-36.5000110F91 N115 V121 R122 Y123F91-D119 HydrophobicContact CD1-CB 4.45Å; N115-D119 WeakPolarHBondContact O-CB 2.95Å; N115-D119 PolarHBondContact O-N 2.76Å; D119-V121 VanDerWaalsContact C-N 3.31Å; D119-V121 PolarHBondContact O-N 3.5Å; D119-R122 PolarHBondContact O-N 3.21Å; D119-R122 IonicContact OD1-CZ 2.59Å; D119-R122 VanDerWaalsContact OD1-CZ 3.23Å; D119-R122 IonicContact OD1-NE 3.86Å; D119-R122 IonicContact OD1-NH1 3.23Å; D119-R122 IonicContact OD1-NH2 3.15Å; D119-R122 PolarHBondContact OD1-NH2 3.13Å; D119-Y123 HydrophobicContact CB-CD2 4.24Å; D119-Y123 HydrophobicContact CB-CE2 4.31Å; D119-Y123 WeakPolarHBondContact O-CD2 3.29Å; D119-Y123 PolarHBondContact O-N 3Å
120A90.8Very high88.4Confident0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-55.5-44.7177.100000112.3F88 F91 F111 D116 M124F88-A120 HydrophobicContact CD1-CB 4.01Å; F88-A120 HydrophobicContact CE1-CB 4.25Å; F91-A120 HydrophobicContact CB-CB 4Å; F91-A120 HydrophobicContact CD2-CB 3.77Å; F91-A120 HydrophobicContact CE2-CB 4.38Å; F91-A120 HydrophobicContact CG-CB 3.84Å; F111-A120 HydrophobicContact CE1-CB 4.38Å; F111-A120 HydrophobicContact CE2-CB 3.86Å; F111-A120 HydrophobicContact CZ-CB 3.59Å; D116-A120 WeakPolarHBondContact O-CB 3.34Å; D116-A120 PolarHBondContact O-N 2.83Å; A120-M124 WeakPolarHBondContact O-CA 3.13Å; A120-M124 WeakPolarHBondContact O-CB 3.22Å; A120-M124 WeakPolarHBondContact O-CG 3.36Å; A120-M124 PolarHBondContact O-N 2.86Å
121V90.9Very high88.1Confident24 Ų2468.1 Ų68.115%0.14535%0.345CS..Hα-helixtrans-62.8-43.2175.6171.50000111.1V70 A117 D119 N125 V136 M138V70-V121 HydrophobicContact CB-CG2 4.47Å; V70-V121 HydrophobicContact CG1-CG2 3.82Å; V70-V121 HydrophobicContact CG2-CG2 3.88Å; A117-V121 WeakPolarHBondContact O-CB 3.38Å; A117-V121 WeakPolarHBondContact O-CG2 3.42Å; A117-V121 PolarHBondContact O-N 2.83Å; D119-V121 VanDerWaalsContact C-N 3.31Å; D119-V121 PolarHBondContact O-N 3.5Å; V121-N125 WeakPolarHBondContact O-CB 3.26Å; V121-N125 PolarHBondContact O-N 3.44Å; V121-N125 VanDerWaalsContact O-N 3.15Å; V121-V136 HydrophobicContact CB-CG1 4.41Å; V121-V136 HydrophobicContact CG2-CG1 4Å; V121-M138 HydrophobicContact CG2-CE 4.13Å; V121-M138 HydrophobicContact CG2-CG 4.24Å; V121-M138 HydrophobicContact CG2-SD 4.29Å
122R90.5Very high87.8Confident158 Ų15868.7 Ų68.760%0.59635%0.349SS*.Hα-helixtrans-66-42.7-178.9-79.6179.5-76.5169.2-5.9112.9E118 D119E118-R122 WeakPolarHBondContact O-CB 3.4Å; E118-R122 VanDerWaalsContact O-CG 3.27Å; E118-R122 WeakPolarHBondContact O-CG 3.18Å; E118-R122 PolarHBondContact O-N 2.78Å; E118-R122 PolarHBondContact O-NE 3.25Å; D119-R122 PolarHBondContact O-N 3.21Å; D119-R122 IonicContact OD1-CZ 2.59Å; D119-R122 VanDerWaalsContact OD1-CZ 3.23Å; D119-R122 IonicContact OD1-NE 3.86Å; D119-R122 IonicContact OD1-NH1 3.23Å; D119-R122 IonicContact OD1-NH2 3.15Å; D119-R122 PolarHBondContact OD1-NH2 3.13Å
123Y90Very high87.8Confident162 Ų16269.5 Ų69.564%0.63535%0.348SS*.Hα-helixtrans-86-34.6-175.7-71.7-72000113.5F91 D119F91-Y123 HydrophobicContact CD1-CD2 4.27Å; F91-Y123 VanDerWaalsContact CE1-CB 3.47Å; F91-Y123 AromaticContact CE1-CD2 3.67Å; F91-Y123 HydrophobicContact CE1-CD2 3.67Å; F91-Y123 AromaticContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CE1-CG 3.83Å; F91-Y123 HydrophobicContact CZ-CG 4.4Å; D119-Y123 HydrophobicContact CB-CD2 4.24Å; D119-Y123 HydrophobicContact CB-CE2 4.31Å; D119-Y123 WeakPolarHBondContact O-CD2 3.29Å; D119-Y123 PolarHBondContact O-N 3Å
124M89.4Confident88Confident3 Ų366.2 Ų66.22%0.01533%0.33CS..Hα-helixtrans-89.7-18.7-177.1-62.4-63.1-67.300113.5A87 F88 F91 A120 G126 S127 V129 L134 V136A87-M124 HydrophobicContact CB-CE 3.79Å; F88-M124 HydrophobicContact CD1-CG 4.27Å; F88-M124 HydrophobicContact CE1-CB 3.91Å; F88-M124 HydrophobicContact CE1-CG 3.81Å; F88-M124 HydrophobicContact CE2-CE 4.29Å; F88-M124 HydrophobicContact CZ-CB 3.93Å; F88-M124 HydrophobicContact CZ-CE 4.38Å; F88-M124 HydrophobicContact CZ-CG 4.07Å; F91-M124 HydrophobicContact CD2-CG 4.25Å; F91-M124 HydrophobicContact CE2-CG 3.23Å; F91-M124 HydrophobicContact CE2-SD 3.52Å; F91-M124 VanDerWaalsContact CE2-SD 3.52Å; F91-M124 HydrophobicContact CZ-CG 3.59Å; F91-M124 HydrophobicContact CZ-SD 3.74Å; A120-M124 WeakPolarHBondContact O-CA 3.13Å; A120-M124 WeakPolarHBondContact O-CB 3.22Å; A120-M124 WeakPolarHBondContact O-CG 3.36Å; A120-M124 PolarHBondContact O-N 2.86Å; M124-G126 PolarHBondContact O-N 2.75Å; M124-G126 VanDerWaalsContact O-N 3.12Å; M124-S127 VanDerWaalsContact CA-OG 3.31Å; M124-S127 WeakPolarHBondContact CA-OG 3.44Å; M124-S127 WeakPolarHBondContact CE-OG 3.11Å; M124-S127 WeakPolarHBondContact O-CB 3.42Å; M124-S127 PolarHBondContact O-N 2.97Å; M124-S127 PolarHBondContact O-OG 3.23Å; M124-V129 HydrophobicContact CE-CG2 3.71Å; M124-L134 HydrophobicContact CE-CD1 3.99Å; M124-V136 HydrophobicContact CB-CB 4.49Å; M124-V136 HydrophobicContact CB-CG2 3.84Å
125N90.4Very high88.1Confident85 Ų8566.6 Ų66.646%0.45533%0.332SS..THydrogen-bonded Turntrans-66.5114.7176.7-17733.6000110.5V121 S127 V136V121-N125 WeakPolarHBondContact O-CB 3.26Å; V121-N125 PolarHBondContact O-N 3.44Å; V121-N125 VanDerWaalsContact O-N 3.15Å; N125-S127 VanDerWaalsContact C-N 3.31Å; N125-V136 HydrophobicContact CB-CB 4.04Å; N125-V136 PolarHBondContact OD1-N 2.74Å; N125-V136 PolarHBondContact OD1-O 3.26Å
126G87.4Confident88.2Confident28 Ų2861.8 Ų61.829%0.28931%0.306SS..THydrogen-bonded Turntrans83.23.7-174.800000114.4M124 L134M124-G126 PolarHBondContact O-N 2.75Å; M124-G126 VanDerWaalsContact O-N 3.12Å; G126-L134 WeakPolarHBondContact CA-O 3.32Å; G126-L134 PolarHBondContact N-O 3.21Å
127S88.1Confident88.1Confident27 Ų2762.7 Ų62.719%0.18932%0.315CS..  trans-74.4152.7172.770.80000111.4M124 N125 L134M124-S127 VanDerWaalsContact CA-OG 3.31Å; M124-S127 WeakPolarHBondContact CA-OG 3.44Å; M124-S127 WeakPolarHBondContact CE-OG 3.11Å; M124-S127 WeakPolarHBondContact O-CB 3.42Å; M124-S127 PolarHBondContact O-N 2.97Å; M124-S127 PolarHBondContact O-OG 3.23Å; N125-S127 VanDerWaalsContact C-N 3.31Å; S127-L134 PolarHBondContact O-N 3.11Å
128Y86.2Confident88Confident154 Ų15466.4 Ų66.460%0.60433%0.333SS*.EExtended strand (participates in β ladder)trans-95.3128.4173.7-68.6-96.2000109.4C132 K133Y128-C132 WeakPolarHBondContact CA-O 3.43Å; Y128-K133 HydrophobicContact CD1-CB 4.11Å; Y128-K133 HydrophobicContact CE1-CB 3.77Å; Y128-K133 HydrophobicContact CE1-CG 4.34Å; Y128-K133 HydrophobicContact CE2-CD 4.42Å; Y128-K133 HydrophobicContact CE2-CG 4.39Å
129V82.9Confident87.5Confident23 Ų2364.4 Ų64.414%0.13933%0.326CS..EExtended strand (participates in β ladder)trans-119.6112.5167.7-175.60000106L79 D83 A87 M124 D131 C132 L134L79-V129 HydrophobicContact CD2-CB 3.91Å; L79-V129 HydrophobicContact CD2-CG1 3.51Å; D83-V129 HydrophobicContact CB-CG1 4.33Å; A87-V129 HydrophobicContact CB-CG2 4.28Å; M124-V129 HydrophobicContact CE-CG2 3.71Å; V129-D131 PolarHBondContact O-N 3.39Å; V129-C132 PolarHBondContact N-O 2.79Å; V129-C132 PolarHBondContact O-N 2.96Å; V129-L134 HydrophobicContact CB-CD1 4.09Å; V129-L134 HydrophobicContact CB-CG 4.37Å; V129-L134 HydrophobicContact CG2-CD1 3.39Å; V129-L134 HydrophobicContact CG2-CG 4.03Å
130G82.4Confident86.4Confident66 Ų6668.7 Ų68.768%0.6835%0.349SS*.THydrogen-bonded Turntrans59.7-132-160.900000110.6C132G130-C132 VanDerWaalsContact C-N 3.34Å
131D82.6Confident85Confident160 Ų16072.2 Ų72.286%0.85637%0.372SS*.THydrogen-bonded Turntrans-90.23178.4-58.6-64.2000113.6V129V129-D131 PolarHBondContact O-N 3.39Å
132C82.2Confident83.4Confident13 Ų1379.9 Ų79.99%0.08840%0.398CS..EExtended strand (participates in β ladder)trans-103.5127-171.7-62.60000112D76 L79 Y128 V129 G130 L134D76-C132 WeakPolarHBondContact CB-SG 3.4Å; L79-C132 HydrophobicContact CD1-CB 3.49Å; L79-C132 VanDerWaalsContact CD1-CB 3.49Å; L79-C132 HydrophobicContact CG-CB 4.13Å; Y128-C132 WeakPolarHBondContact CA-O 3.43Å; V129-C132 PolarHBondContact N-O 2.79Å; V129-C132 PolarHBondContact O-N 2.96Å; G130-C132 VanDerWaalsContact C-N 3.34Å; C132-L134 PolarHBondContact O-N 3.15Å
133K88.1Confident81.5Confident115 Ų11582.9 Ų82.950%0.541%0.409SS..EExtended strand (participates in β ladder)trans-85108.9173.6-171.9177.9-174.4169.80110.8Y128Y128-K133 HydrophobicContact CD1-CB 4.11Å; Y128-K133 HydrophobicContact CE1-CB 3.77Å; Y128-K133 HydrophobicContact CE1-CG 4.34Å; Y128-K133 HydrophobicContact CE2-CD 4.42Å; Y128-K133 HydrophobicContact CE2-CG 4.39Å
134L90Very high79.6Confident1 Ų183.9 Ų83.91%0.00541%0.412CS..  trans-74.7134.3-177.9-60.5-173.2000112.2I72 I75 L79 L84 F88 M124 G126 S127 V129 C132 V136I72-L134 HydrophobicContact CG2-CB 4.38Å; I72-L134 HydrophobicContact CG2-CD1 4.39Å; I72-L134 HydrophobicContact CG2-CD2 4.04Å; I75-L134 HydrophobicContact CG1-CD2 4.39Å; L79-L134 HydrophobicContact CD1-CD2 3.56Å; L84-L134 HydrophobicContact CD2-CD1 4.05Å; L84-L134 HydrophobicContact CD2-CD2 4.37Å; F88-L134 HydrophobicContact CE2-CD1 4.25Å; M124-L134 HydrophobicContact CE-CD1 3.99Å; G126-L134 WeakPolarHBondContact CA-O 3.32Å; G126-L134 PolarHBondContact N-O 3.21Å; S127-L134 PolarHBondContact O-N 3.11Å; V129-L134 HydrophobicContact CB-CD1 4.09Å; V129-L134 HydrophobicContact CB-CG 4.37Å; V129-L134 HydrophobicContact CG2-CD1 3.39Å; V129-L134 HydrophobicContact CG2-CG 4.03Å; C132-L134 PolarHBondContact O-N 3.15Å; L134-V136 HydrophobicContact CB-CG2 4.01Å
135R88.8Confident77.7Confident139 Ų13987.9 Ų87.953%0.52545%0.445SS..EExtended strand (participates in β ladder)trans-101.6109.2166.5-168.7170.1101.5-142.914.5110.8I72 G73 D74I72-R135 CarbonylContact C-O 3.53Å; I72-R135 WeakPolarHBondContact CA-O 3.49Å; G73-R135 PolarHBondContact N-O 3.14Å; G73-R135 PolarHBondContact O-N 2.84Å; D74-R135 HydrophobicContact CB-CB 4.14Å; D74-R135 IonicContact OD1-NH1 3.74Å; D74-R135 WeakPolarHBondContact OD2-CB 3.28Å; D74-R135 VanDerWaalsContact OD2-CD 3.32Å; D74-R135 WeakPolarHBondContact OD2-CD 3.24Å; D74-R135 IonicContact OD2-CZ 3.74Å; D74-R135 IonicContact OD2-NE 3.82Å; D74-R135 IonicContact OD2-NH1 2.94Å; D74-R135 PolarHBondContact OD2-NH1 3.37Å
136V91.2Very high75.5Confident3 Ų390 Ų902%0.01846%0.456CS..EExtended strand (participates in β ladder)trans-112128.6-172.2-169.70000109.9V70 H71 I72 F88 V121 M124 N125 L134V70-V136 HydrophobicContact CG1-CG1 3.26Å; H71-V136 CarbonylContact O-C 3.57Å; H71-V136 WeakPolarHBondContact O-CA 3.46Å; I72-V136 HydrophobicContact CG1-CG1 4.48Å; I72-V136 HydrophobicContact CG1-CG2 4.47Å; I72-V136 HydrophobicContact CG2-CG2 4.44Å; F88-V136 HydrophobicContact CE1-CG1 4.11Å; F88-V136 HydrophobicContact CZ-CG1 4.2Å; F88-V136 HydrophobicContact CZ-CG2 3.96Å; V121-V136 HydrophobicContact CB-CG1 4.41Å; V121-V136 HydrophobicContact CG2-CG1 4Å; M124-V136 HydrophobicContact CB-CB 4.49Å; M124-V136 HydrophobicContact CB-CG2 3.84Å; N125-V136 HydrophobicContact CB-CB 4.04Å; N125-V136 PolarHBondContact OD1-N 2.74Å; N125-V136 PolarHBondContact OD1-O 3.26Å; L134-V136 HydrophobicContact CB-CG2 4.01Å
137S89.2Confident73.6Confident48 Ų4898.1 Ų98.134%0.33648%0.478SS..EExtended strand (participates in β ladder)trans-142.2156.8178.867.50000111.7H71 A139H71-S137 PolarHBondContact N-O 3.24Å; H71-S137 PolarHBondContact O-N 2.77Å; S137-A139 PolarHBondContact O-N 2.72Å
138M86.2Confident71.5Confident77 Ų77107.8 Ų107.838%0.37951%0.513SS..EExtended strand (participates in β ladder)trans-62.8121.6171.8-80.3-68.2179.400109.8A117 E118 V121 L140A117-M138 VanDerWaalsContact C-CE 3.47Å; A117-M138 HydrophobicContact CB-CE 3.79Å; A117-M138 HydrophobicContact CB-SD 4.42Å; E118-M138 VanDerWaalsContact CA-CE 3.5Å; E118-M138 HydrophobicContact CB-CE 4Å; E118-M138 HydrophobicContact CG-CE 3.26Å; V121-M138 HydrophobicContact CG2-CE 4.13Å; V121-M138 HydrophobicContact CG2-CG 4.24Å; V121-M138 HydrophobicContact CG2-SD 4.29Å; M138-L140 PolarHBondContact O-N 3.1Å
139A79.7Confident69.5Low17 Ų17108.5 Ų108.514%0.1452%0.519CS..PPolyproline II helixtrans-68137.1-178.100000109.6R69 H71 F108 S137R69-A139 HydrophobicContact CB-CB 3.81Å; R69-A139 HydrophobicContact CG-CB 3.58Å; R69-A139 WeakPolarHBondContact O-CB 3Å; R69-A139 PolarHBondContact O-N 2.71Å; H71-A139 HydrophobicContact CB-CB 4.03Å; F108-A139 HydrophobicContact CD1-CB 4.15Å; F108-A139 HydrophobicContact CE1-CB 4.14Å; S137-A139 PolarHBondContact O-N 2.72Å
140L67.9Low67.7Low140 Ų140111.6 Ų111.673%0.73354%0.535SS*.PPolyproline II helixtrans-58.6136.2168.8-65.2172000108M138 R142M138-L140 PolarHBondContact O-N 3.1Å; L140-R142 PolarHBondContact O-N 2.94Å
141P61.4Low66.2Low74 Ų74119.1 Ų119.148%0.48154%0.542SS..PPolyproline II helixtrans-53.6136176.223.6-33.1000107.4R143P141-R143 VanDerWaalsContact C-N 3.33Å; P141-R143 PolarHBondContact O-N 2.99Å
142R56.1Low64.9Low184 Ų184122 Ų12269%0.69454%0.542SS*.  trans-48.4106.3173.9-71.6-178.392.91341.2105.7L140 R144L140-R142 PolarHBondContact O-N 2.94Å; R142-R144 PolarHBondContact O-N 2.81Å
143R51.7Low63Low222 Ų222130.8 Ų130.884%0.83857%0.574SS**  trans-64.299176.2-76.2-170.3168.8-169.3-0.8103.2P141 A145P141-R143 VanDerWaalsContact C-N 3.33Å; P141-R143 PolarHBondContact O-N 2.99Å; R143-A145 PolarHBondContact O-N 2.73Å
144R49.9Very low61.4Low183 Ų183130.1 Ų130.169%0.69158%0.581SS**  trans-52.7119.3158.5-71.3-150.5-177.8-164.34.5103.6R142 N146R142-R144 PolarHBondContact O-N 2.81Å; R144-N146 HydrophobicContact CB-CB 4.37Å; R144-N146 PolarHBondContact O-N 3.38Å
145A49.3Very low59.6Low86 Ų86135.7 Ų135.771%0.71162%0.618SS**SBendtrans-61.825.4174.500000112.8R143 R147R143-A145 PolarHBondContact O-N 2.73Å; A145-R147 PolarHBondContact O-N 3.07Å
146N44.6Very low57.6Low129 Ų129139 Ų13969%0.6963%0.63SS**THydrogen-bonded Turntrans-99.748.2179.1-71.9-11.8000111.2R144R144-N146 HydrophobicContact CB-CB 4.37Å; R144-N146 PolarHBondContact O-N 3.38Å
147R46.5Very low55.2Low199 Ų199148.1 Ų148.175%0.75167%0.67SS**THydrogen-bonded Turntrans-132.420.2167-79.7-153.4-85.1170.8-7.5115A145 F149 D150A145-R147 PolarHBondContact O-N 3.07Å; R147-F149 PolarHBondContact O-N 2.98Å; R147-D150 PolarHBondContact O-N 3.05Å
148Y45.1Very low53Low231 Ų231152.4 Ų152.491%0.90669%0.689SS**THydrogen-bonded Turntrans-665.7157-85.8-80000113.8
149F44.5Very low50.7Low169 Ų169155.9 Ų155.974%0.74171%0.709SS**THydrogen-bonded Turntrans-13151.3171.3-116.6-89.8000110.4R147 R151R147-F149 PolarHBondContact O-N 2.98Å; F149-R151 HydrophobicContact CD1-CG 3.8Å; F149-R151 HydrophobicContact CE1-CG 4.45Å; F149-R151 PolarHBondContact O-N 2.82Å
150D45.1Very low48.9Very low87 Ų87164.9 Ų164.947%0.46574%0.741SS.*  trans-62.993.4154.6-165.8-25.8000107.3R147 R152 Y153R147-D150 PolarHBondContact O-N 3.05Å; D150-R152 PolarHBondContact O-N 3.45Å; D150-R152 VanDerWaalsContact OD1-CB 3.25Å; D150-R152 WeakPolarHBondContact OD1-CB 3.25Å; D150-R152 PolarHBondContact OD1-N 3.01Å; D150-Y153 PolarHBondContact O-N 2.86Å
151R51.3Low47.6Very low224 Ų224170 Ų17085%0.84575%0.751SS**THydrogen-bonded Turntrans-58.96175.7-69.4177.4-168.7174.52.4113.1F149F149-R151 HydrophobicContact CD1-CG 3.8Å; F149-R151 HydrophobicContact CE1-CG 4.45Å; F149-R151 PolarHBondContact O-N 2.82Å
152R54.4Low46.6Very low222 Ų222176 Ų17684%0.83876%0.763SS**THydrogen-bonded Turntrans-105.87.7172.6-59.7-164.8174.1-153.6-0.4114.7D150D150-R152 PolarHBondContact O-N 3.45Å; D150-R152 VanDerWaalsContact OD1-CB 3.25Å; D150-R152 WeakPolarHBondContact OD1-CB 3.25Å; D150-R152 PolarHBondContact OD1-N 3.01Å
153Y41.4Very low45.7Very low197 Ų197170.8 Ų170.877%0.77377%0.767SS**  trans-145.199169.5-130.1-99.1000110.4D150D150-Y153 PolarHBondContact O-N 2.86Å
154P55Low45.2Very low100 Ų100161.8 Ų161.865%0.64974%0.744SS**  trans-62.7133.9169.827.2-31.7000107.8R156P154-R156 VanDerWaalsContact C-N 3.28Å; P154-R156 PolarHBondContact O-N 3.35Å
155P52.9Low44.8Very low118 Ų118163.1 Ų163.177%0.76675%0.75SS**  trans-61.998.5170.325-30000107.6
156R47.4Very low44.2Very low209 Ų209161.9 Ų161.979%0.78975%0.746SS**  trans-57.3140.5147.2-58.9-158.2179.6-157.12.2104.7P154P154-R156 VanDerWaalsContact C-N 3.28Å; P154-R156 PolarHBondContact O-N 3.35Å
157F40Very low43.9Very low195 Ų195166 Ų16686%0.85576%0.758SS**  trans91.474.1-170.8-46.6-69.7000114.9
158N41.9Very low43.5Very low138 Ų138160.2 Ų160.274%0.73876%0.761SS**  -163.477.5110.3-130.914.8000111.1Y160N158-Y160 PolarHBondContact O-N 3.1Å
159N39.1Very low43.2Very low150 Ų150153.5 Ų153.580%0.80276%0.762SS**  trans-86.937.6165.5-91.6-37.7000111.3
160Y41.6Very low42.8Very low205 Ų205149 Ų14980%0.80476%0.763SS**  trans-11458.6176.5-78.7-83.5000111.1N158N158-Y160 PolarHBondContact O-N 3.1Å
161R41.6Very low42.3Very low249 Ų249148.8 Ų148.894%0.9478%0.782SS**  trans-171.335.3146.5-111.2-173.2-164.8-131.75.9112.8G163R161-G163 PolarHBondContact O-N 2.93Å
162R38.8Very low41.5Very low198 Ų198142.1 Ų142.175%0.74778%0.783SS**  trans-76.276.4162.8-170.9-175.3-179.6-134.5-0.9108.5G164R162-G164 PolarHBondContact NH2-O 2.92Å; R162-G164 PolarHBondContact O-N 3.49Å
163G38.4Very low40.7Very low75 Ų75134.1 Ų134.177%0.77377%0.769SS**  trans-70.199.1151.500000106.5R161R161-G163 PolarHBondContact O-N 2.93Å
164G40.3Very low40.2Very low34 Ų34133.2 Ų133.235%0.35177%0.766SS.*  trans17045.7-171.300000112.4R162 G166R162-G164 PolarHBondContact NH2-O 2.92Å; R162-G164 PolarHBondContact O-N 3.49Å; G164-G166 PolarHBondContact O-N 3.02Å
165Y41.5Very low39.1Very low210 Ų210138 Ų13882%0.82477%0.772SS**  trans-82.591.4157.739.7-86000107.2
166G37Very low38.4Very low61 Ų61135.5 Ų135.563%0.62977%0.768SS**  trans-74.5120136.900000107.3G164G164-G166 PolarHBondContact O-N 3.02Å
167F37.2Very low37.9Very low215 Ų215131.2 Ų131.294%0.94376%0.761SS**SBendtrans49.8127.6151.5-72.7-92.5000121.5
168G39.3Very low38Very low78 Ų78131.8 Ų131.880%0.80476%0.763SS**  trans93.8103.7158.700000112.5
169G38.5Very low37.6Very low89 Ų89133.6 Ų133.692%0.91876%0.761SS**  78.9120.565.900000107.8
170G35.7Very low37.6Very low75 Ų75133.6 Ų133.677%0.77376%0.761SS**  cis174.51615.200000105.6
171G34.7Very low37.6Very low83 Ų83134.8 Ų134.886%0.85676%0.764SS**  trans73.8120168.900000114.9
172G35Very low37.4Very low84 Ų84126.6 Ų126.687%0.86676%0.758SS**  cis93.9105.148.700000107.6
173G37.2Very low37.4Very low54 Ų54121.1 Ų121.156%0.55776%0.763SS**  trans149.783155.600000118.1
174Y30.7Very low37.4Very low178 Ų178121.5 Ų121.570%0.69877%0.766SS**  51140.5111.362.5-128000124.7
175Y32.3Very low37.4Very low199 Ų199124 Ų12478%0.7879%0.792SS**  trans35.6121.6157.223.3-101.6000120.7
176G39.2Very low37.2Very low67 Ų67117.8 Ų117.869%0.69179%0.792SS**  trans-174.569.5169.100000113
177N37Very low37.4Very low119 Ų119118.7 Ų118.764%0.63680%0.801SS**  trans-57132.4164.6-86.4-54.9000111.2Y179N177-Y179 HydrophobicContact CB-CD1 3.71Å; N177-Y179 HydrophobicContact CB-CE1 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CE1 2.83Å
178F41.4Very low37.6Very low206 Ų206110.5 Ų110.590%0.90478%0.778SS**  trans-134.474.8152.1-68.5-78.5000107.7
179Y33.3Very low37.2Very low176 Ų176117.6 Ų117.669%0.6978%0.782SS**  trans-72.4115.8146.741.9-97.7000105.9N177N177-Y179 HydrophobicContact CB-CD1 3.71Å; N177-Y179 HydrophobicContact CB-CE1 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CE1 2.83Å
180D39.9Very low37.1Very low150 Ų150123.7 Ų123.780%0.80278%0.779SS**  trans-165.4146.5139.9-144.2-88.7000109.9
181R40.1Very low37.3Very low230 Ų230126.6 Ų126.687%0.86878%0.776SS**  trans79.274168.8-158.8169.4-92.5-166.4-9.7117.7
182G37.1Very low37.8Very low78 Ų78134.2 Ų134.280%0.80478%0.78SS**  96.3125.499.900000118.1
183G40.3Very low37.9Very low83 Ų83138.5 Ų138.586%0.85677%0.77SS**  trans92.3110.5159.800000113
184G37.2Very low37.9Very low82 Ų82146.1 Ų146.185%0.84578%0.783SS**  cis111.7113.231.600000108.3
185G40.4Very low38.3Very low87 Ų87140.8 Ų140.890%0.89777%0.766SS**  trans90.4124.6171.500000114
186G37.5Very low38.8Very low79 Ų79134.8 Ų134.881%0.81475%0.753SS**  cis129.9120.41800000108.3
187G41.3Very low39Very low80 Ų80141.5 Ų141.583%0.82576%0.758SS**  trans79.4138.9165.700000115.8
188G40.9Very low39.1Very low44 Ų44141.5 Ų141.545%0.45476%0.758SS.*  cis-174.9135.24.500000109.6
189Y30.9Very low39.3Very low227 Ų227141.6 Ų141.689%0.8975%0.752SS**  trans27.392137.3-32.2-79.5000118
190Y37.1Very low39.8Very low217 Ų217140.8 Ų140.885%0.85176%0.759SS**  -133.4121.2128.98.7-87.1000107.4R192Y190-R192 PolarHBondContact O-N 2.69Å
191D38.7Very low40Very low135 Ų135141.2 Ų141.272%0.72276%0.761SS**  trans-59.3128.9-172.3-166.2-113.2000111R193D191-R193 PolarHBondContact O-N 3.49Å; D191-R193 WeakPolarHBondContact OD1-CB 3.05Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å
192R45.3Very low40.1Very low244 Ų244137.8 Ų137.892%0.92176%0.76SS**SBendtrans-74.330.5-175.9-102.1-175.4-94.8170.4-7112.6Y190Y190-R192 PolarHBondContact O-N 2.69Å
193R38.1Very low40.5Very low174 Ų174137.3 Ų137.366%0.65775%0.754SS**  trans-113.128.6-169.7-61.9-69.2-173.1169.22.9116D191 D195D191-R193 PolarHBondContact O-N 3.49Å; D191-R193 WeakPolarHBondContact OD1-CB 3.05Å; D191-R193 WeakPolarHBondContact OD1-CG 3.43Å; R193-D195 PolarHBondContact O-N 3.46Å
194Y36.4Very low40.8Very low214 Ų214141.4 Ų141.484%0.83976%0.756SS**SBendtrans-77.169.8143.2-94.4-86.1000108.5S196Y194-S196 PolarHBondContact O-N 2.8Å
195D40.1Very low41.1Very low65 Ų65149.1 Ų149.135%0.34876%0.759SS.*  trans-59.596.7175-167-107.1000108.4R193 R197R193-D195 PolarHBondContact O-N 3.46Å; D195-R197 PolarHBondContact O-N 2.96Å; D195-R197 WeakPolarHBondContact OD1-CG 3.46Å; D195-R197 IonicContact OD1-CZ 3.53Å; D195-R197 IonicContact OD1-NE 2.8Å; D195-R197 PolarHBondContact OD1-NE 2.78Å; D195-R197 IonicContact OD1-NH2 3.46Å; D195-R197 PolarHBondContact OD1-NH2 3.34Å
196S42.3Very low41.5Very low73 Ų73154.6 Ų154.651%0.5176%0.759SS.*SBend43.513121.3-58.30000121.1Y194Y194-S196 PolarHBondContact O-N 2.8Å
197R43.4Very low41.6Very low208 Ų208158.7 Ų158.779%0.78576%0.762SS**  trans-109.510.3-171.4-64-171.2-162.9178.41.7117.2D195D195-R197 PolarHBondContact O-N 2.96Å; D195-R197 WeakPolarHBondContact OD1-CG 3.46Å; D195-R197 IonicContact OD1-CZ 3.53Å; D195-R197 IonicContact OD1-NE 2.8Å; D195-R197 PolarHBondContact OD1-NE 2.78Å; D195-R197 IonicContact OD1-NH2 3.46Å; D195-R197 PolarHBondContact OD1-NH2 3.34Å
198N40Very low41.6Very low120 Ų120162.2 Ų162.264%0.64276%0.76SS**  trans-119.635.2168.4-93.1-12000113.4L200N198-L200 PolarHBondContact O-N 3.45Å; N198-L200 VanDerWaalsContact O-N 3.1Å
199R45.5Very low41.7Very low207 Ų207168.5 Ų168.578%0.78178%0.78SS**THydrogen-bonded Turntrans-77.228.9170.4-64-164.9-153.8172.28.5114.1
200L42.6Very low42.3Very low160 Ų160163.4 Ų163.484%0.83877%0.773SS**THydrogen-bonded Turntrans-123.9-1.8-176.4-102.4164.7000115.5N198N198-L200 PolarHBondContact O-N 3.45Å; N198-L200 VanDerWaalsContact O-N 3.1Å
201L45.5Very low42.6Very low159 Ų159161.4 Ų161.483%0.83280%0.801SS**SBendtrans-131.615.4179.5-66173.4000114.3
202D42.2Very low42.7Very low158 Ų158162.7 Ų162.785%0.84580%0.804SS**SBendtrans-110.566.7175.5-73-38.1000109.9
203G44.5Very low42.6Very low67 Ų67158.4 Ų158.469%0.69180%0.798SS**SBendtrans-176.6-15178.500000118.9
204L46.1Very low42.9Very low170 Ų170157.6 Ų157.689%0.8981%0.806SS**SBendtrans-140.223.3-165.7-81.5173.2000117.6
205R44.2Very low43.2Very low243 Ų243154.2 Ų154.292%0.91780%0.804SS**  trans-129.629.1165.8-83.9-167.2160.3-146.3-5.1114.6L207R205-L207 PolarHBondContact O-N 3.42Å
206F47.8Very low43.4Very low202 Ų202159.8 Ų159.889%0.88683%0.833SS**SBendtrans-70.694.7152.6-118-97.6000107.4L208F206-L208 PolarHBondContact O-N 3.24Å
207L40.3Very low43.5Very low166 Ų166165.6 Ų165.687%0.86985%0.854SS**SBendtrans50.735.6146.7-151.6101.1000119.4R205R205-L207 PolarHBondContact O-N 3.42Å
208L40.7Very low43.5Very low153 Ų153162.6 Ų162.680%0.80186%0.859SS**  trans-155.568.2175.4-146.988.6000115.2F206 V210F206-L208 PolarHBondContact O-N 3.24Å; L208-V210 HydrophobicContact CD1-CG2 4.36Å; L208-V210 HydrophobicContact CG-CG2 4.26Å
209M44.6Very low43.8Very low176 Ų176165.8 Ų165.887%0.86788%0.876SS**  trans-146.875.3146.7-121.3177.6171.300101.3
210V43.8Very low43.7Very low121 Ų121162.4 Ų162.473%0.73388%0.884SS**  32.9112.687.8-172.60000110.8L208L208-V210 HydrophobicContact CD1-CG2 4.36Å; L208-V210 HydrophobicContact CG-CG2 4.26Å
211A41.6Very low43.8Very low174 Ų174162.6 Ų162.6100%1.43889%0.888SS**  trans79.50-17700000115.7

Retrieved 211 of 211 residues in 949.4 ms (Link to these results)