A0A087YJI6_POEFO Loading...

LIM homeobox 8b

AlphaFold DB , UniProt , Accession A0A087YJI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 364 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
1M41.7Very low70.2Confident154 Ų154104.2 Ų104.276%0.75948%0.48SS*.  0109.70-67172.6177.300107.2
2R40.2Very low71.3Confident251 Ų25199.4 Ų99.495%0.94747%0.466SS*.  trans-87.2117175.8-167.9166.1179.1148.6-2.6107.1K4R2-K4 PolarHBondContact O-N 3.35Å
3W50.3Low72Confident61 Ų6195.9 Ų95.923%0.23147%0.465CS..  trans-70.2117.6-173.6-49.997.2000109S5 E6 F135W3-S5 PolarHBondContact O-N 3.5Å; W3-S5 VanDerWaalsContact O-N 3.09Å; W3-E6 PolarHBondContact O-N 3.19Å; W3-F135 HydrophobicContact CZ2-CE1 4.46Å
4K56.9Low72.1Confident218 Ų21893.1 Ų93.195%0.94846%0.456SS*.THydrogen-bonded Turntrans-66-7-178.6-74.5-174.4173.8-176.30114R2R2-K4 PolarHBondContact O-N 3.35Å
5S73.1Confident71.6Confident19 Ų1996.1 Ų96.113%0.13348%0.475CS..THydrogen-bonded Turntrans-103.8-6.4-175.153.90000114.3W3 Y122 I123 Y134W3-S5 PolarHBondContact O-N 3.5Å; W3-S5 VanDerWaalsContact O-N 3.09Å; S5-Y122 WeakPolarHBondContact O-CA 3.42Å; S5-I123 PolarHBondContact O-N 3.27Å; S5-I123 VanDerWaalsContact O-N 3.1Å; S5-Y134 WeakPolarHBondContact CB-OH 3.41Å; S5-Y134 PolarHBondContact OG-OH 2.95Å
6E83.2Confident69.9Low85 Ų85100.4 Ų100.440%0.39750%0.5SS..EExtended strand (participates in β ladder)trans-79.2122173.2-173.2167.1-178.800109.3W3 S120 Y122W3-E6 PolarHBondContact O-N 3.19Å; E6-S120 PolarHBondContact OE1-OG 2.87Å; E6-Y122 HydrophobicContact CB-CD1 4.06Å; E6-Y122 HydrophobicContact CB-CE1 3.56Å; E6-Y122 VanDerWaalsContact CD-OH 3.23Å; E6-Y122 HydrophobicContact CG-CE1 3.94Å; E6-Y122 HydrophobicContact CG-CE2 4.43Å; E6-Y122 PolarHBondContact OE2-OH 2.59Å
7V84.7Confident68.2Low27 Ų27101.2 Ų101.216%0.16452%0.518CS..EExtended strand (participates in β ladder)trans-119.4131.1-179.9-170.50000108.5V96 N97 S120 C121 I123V7-V96 HydrophobicContact CB-CG1 3.95Å; V7-V96 HydrophobicContact CG1-CG1 3.57Å; V7-N97 HydrophobicContact CG1-CB 4.1Å; V7-N97 HydrophobicContact CG2-CB 4.46Å; V7-S120 WeakPolarHBondContact O-CA 3.46Å; V7-S120 WeakPolarHBondContact O-CB 3.12Å; V7-C121 PolarHBondContact N-O 2.9Å; V7-C121 PolarHBondContact O-N 3.03Å; V7-C121 VanDerWaalsContact O-O 3.12Å; V7-I123 HydrophobicContact CG2-CD1 4.36Å; V7-I123 HydrophobicContact CG2-CG1 4.39Å
8K86.1Confident66.5Low138 Ų138106 Ų10660%0.654%0.538SS*.EExtended strand (participates in β ladder)trans-69.6137.8175.2-169-176.8173.7-156.40109.2E10K8-E10 HydrophobicContact CD-CG 4.29Å; K8-E10 HydrophobicContact CG-CG 4.37Å; K8-E10 IonicContact NZ-OE1 3.4Å; K8-E10 PolarHBondContact NZ-OE1 2.93Å
9V85.8Confident64.8Low16 Ų16106.8 Ų106.810%0.09755%0.554CS.*  trans-92120.7172.6-178.50000107.4L94 V96 L106 H118 A119 C121V9-L94 HydrophobicContact CG1-CB 4.31Å; V9-L94 HydrophobicContact CG1-CD1 4.23Å; V9-L94 HydrophobicContact CG1-CD2 4.05Å; V9-L94 HydrophobicContact CG1-CG 4.44Å; V9-V96 HydrophobicContact CB-CG2 4.36Å; V9-V96 HydrophobicContact CG1-CG2 4.14Å; V9-V96 HydrophobicContact CG2-CG2 4.03Å; V9-L106 HydrophobicContact CG1-CD2 3.92Å; V9-L106 HydrophobicContact CG2-CD2 4.03Å; V9-H118 WeakPolarHBondContact CB-O 3.3Å; V9-A119 PolarHBondContact N-O 3.35Å; V9-C121 HydrophobicContact CG2-CB 4.08Å
10E85.7Confident63.2Low92 Ų92105.6 Ų105.643%0.4357%0.569SS.*EExtended strand (participates in β ladder)trans-110.2126.1178-63.6-169.8150.500109.7K8 L94 K95K8-E10 HydrophobicContact CD-CG 4.29Å; K8-E10 HydrophobicContact CG-CG 4.37Å; K8-E10 IonicContact NZ-OE1 3.4Å; K8-E10 PolarHBondContact NZ-OE1 2.93Å; E10-L94 CarbonylContact O-C 3.59Å; E10-L94 WeakPolarHBondContact O-CA 3.18Å; E10-K95 PolarHBondContact N-O 3.44Å; E10-K95 VanDerWaalsContact N-O 3.16Å; E10-K95 PolarHBondContact O-N 3.08Å
11C84.1Confident61.5Low85 Ų85105.5 Ų105.557%0.57458%0.576SS**EExtended strand (participates in β ladder)trans-92.4124.6175.1-173.90000108.9L94C11-L94 HydrophobicContact CB-CD2 4Å
12C83.4Confident61.4Low47 Ų47106.6 Ų106.632%0.31858%0.584SS.*EExtended strand (participates in β ladder)trans-119134.9178.1-57.50000109.1Y92 L93C12-Y92 CarbonylContact O-C 3.56Å; C12-Y92 WeakPolarHBondContact O-CA 3.46Å; C12-L93 HydrophobicContact CB-CD1 3.87Å; C12-L93 HydrophobicContact CB-CG 4.22Å; C12-L93 PolarHBondContact N-O 3.14Å; C12-L93 PolarHBondContact O-N 2.89Å
13A81.3Confident61Low54 Ų54101.9 Ų101.945%0.44658%0.577SS.*EExtended strand (participates in β ladder)trans-68.5133.3165.300000108.8N15 K91 Y92A13-N15 VanDerWaalsContact C-N 3.32Å; A13-N15 PolarHBondContact O-N 3.35Å; A13-K91 WeakPolarHBondContact CA-O 3.5Å; A13-Y92 HydrophobicContact CB-CD1 4.2Å; A13-Y92 HydrophobicContact CB-CE1 4.21Å
14V73.6Confident60.4Low57 Ų57103.6 Ų103.635%0.34560%0.598SS.*  trans-75.194.3169.8-178.30000105.5D16 D90 K91 L93V14-D16 PolarHBondContact O-N 3.01Å; V14-D16 VanDerWaalsContact O-N 3.13Å; V14-D90 WeakPolarHBondContact CB-O 3.4Å; V14-D90 WeakPolarHBondContact CG2-O 3.42Å; V14-K91 PolarHBondContact N-O 3.41Å; V14-L93 HydrophobicContact CG2-CB 4.07Å; V14-L93 HydrophobicContact CG2-CD2 3.79Å; V14-L93 HydrophobicContact CG2-CG 3.99Å
15N63.3Low59.2Low137 Ų137100.3 Ų100.373%0.73359%0.591SS**  trans-64.5115.3179.4-74.6-17.3000108.8A13 S17A13-N15 VanDerWaalsContact C-N 3.32Å; A13-N15 PolarHBondContact O-N 3.35Å; N15-S17 PolarHBondContact O-N 3.25Å
16D44.8Very low57.7Low165 Ų165103.4 Ų103.488%0.88263%0.626SS**  trans-50.1129.9156.2-99.9-69.7000108.3V14 E18V14-D16 PolarHBondContact O-N 3.01Å; V14-D16 VanDerWaalsContact O-N 3.13Å; D16-E18 PolarHBondContact O-N 2.99Å
17S40.4Very low55.1Low115 Ų115107.9 Ų107.980%0.80465%0.647SS**SBendtrans-71.3103.6-170-54.80000110.2N15N15-S17 PolarHBondContact O-N 3.25Å
18E38.2Very low52.7Low187 Ų187114.6 Ų114.687%0.87468%0.681SS**  trans-157.5128.8146.3-111.8176125.700112.4D16D16-E18 PolarHBondContact O-N 2.99Å
19S34.3Very low49.9Very low122 Ų122116 Ų11685%0.85369%0.694SS**  trans75.7105.4172.973.60000118
20G32.1Very low47.2Very low81 Ų81121 Ų12184%0.83573%0.725SS**  trans-70.1142.5165.500000112.1
21S27.4Very low44.3Very low105 Ų105124.3 Ų124.373%0.73474%0.742SS**  trans-160.5125141.446.20000109L23S21-L23 PolarHBondContact O-N 3.12Å
22L41.1Very low41.6Very low176 Ų176126.6 Ų126.692%0.92176%0.757SS**  trans-60.7112.9166.6-76.6160.3000108.1
23L30.4Very low39.4Very low153 Ų153132.3 Ų132.380%0.80178%0.779SS**  trans-126.599.7155.8-73.2174.8000108.5S21 N25S21-L23 PolarHBondContact O-N 3.12Å; L23-N25 PolarHBondContact O-N 3.02Å
24S38.7Very low37.1Very low96 Ų96137 Ų13767%0.67180%0.797SS**  trans-45.2121.1145.449.90000108.8
25N32.7Very low35Very low150 Ų150140.9 Ų140.980%0.80283%0.825SS**  trans177.4138135.1-82.7-26.9000108.9L23 E27L23-N25 PolarHBondContact O-N 3.02Å; N25-E27 PolarHBondContact O-N 3.03Å
26G40.8Very low33.5Very low83 Ų83144.3 Ų144.386%0.85683%0.833SS**  trans-65118.2-179.500000111.4
27E27.5Very low32.8Very low179 Ų179139.5 Ų139.584%0.83682%0.822SS**  trans-125117.6158.6-83.8-174.811400109.2N25 L29N25-E27 PolarHBondContact O-N 3.03Å; E27-L29 PolarHBondContact O-N 3.23Å
28L34.3Very low32.1Very low168 Ų168142.2 Ų142.288%0.8883%0.828SS**  trans-65.894.1170.6-177.775.3000107.7V30L28-V30 PolarHBondContact O-N 3.03Å
29L27.4Very low31.7Very low169 Ų169136.8 Ų136.889%0.88582%0.822SS**PPolyproline II helixtrans-71117.1170.1-92.4158.6000109.4E27E27-L29 PolarHBondContact O-N 3.23Å
30V29.4Very low31.3Very low121 Ų121140.3 Ų140.373%0.73383%0.825SS**PPolyproline II helixtrans-57.5136.8-176.6179.10000110.6L28 C32L28-V30 PolarHBondContact O-N 3.03Å; V30-C32 PolarHBondContact O-N 2.94Å
31M25.5Very low31.2Very low160 Ų160143.4 Ų143.479%0.78882%0.821SS**PPolyproline II helixtrans-50.1134.9170.9-68.2164.152.400110.2E33M31-E33 VanDerWaalsContact C-N 3.3Å; M31-E33 PolarHBondContact O-N 3.04Å
32C27.9Very low31.6Very low134 Ų134144.3 Ų144.391%0.90583%0.825SS**  trans-63.398.3157.1-94.30000107.9V30 D34V30-C32 PolarHBondContact O-N 2.94Å; C32-D34 PolarHBondContact O-N 3.31Å
33E37Very low31.1Very low166 Ų166141.8 Ų141.878%0.77681%0.812SS**  trans-62.5103.7148.1-80.4175.38800106.6M31M31-E33 VanDerWaalsContact C-N 3.3Å; M31-E33 PolarHBondContact O-N 3.04Å
34D32.8Very low31Very low154 Ų154144.1 Ų144.182%0.82482%0.816SS**  trans170.987.9140.4-87.2-45.3000110.8C32C32-D34 PolarHBondContact O-N 3.31Å
35C29.8Very low30.4Very low138 Ų138145.6 Ų145.693%0.93283%0.825SS**  trans-15872.4148.3-107.40000108.7
36K31.2Very low30.3Very low209 Ų209143.2 Ų143.291%0.90983%0.826SS**  trans-83.7115.5157.1-130.4167.6-179.31750105.7
37G29.9Very low29.8Very low63 Ų63148.1 Ų148.165%0.64983%0.827SS**  trans-75.4169.4-177.100000112.9
38D27.1Very low29.9Very low173 Ų173146.4 Ų146.493%0.92582%0.823SS**  trans-148.3135.4147.9-83.8-64.1000106.9
39G29.5Very low29.6Very low72 Ų72141.2 Ų141.274%0.74281%0.81SS**  trans-80.2157.1-178.700000112.2
40E24.9Very low29.8Very low197 Ų197143.2 Ų143.292%0.92181%0.806SS**  trans-162.8130.5134.5-113.3178.7102.700109.3
41L29.8Very low29.7Very low145 Ų145143.8 Ų143.876%0.75981%0.805SS**  trans-62.8153.9161.1-117.686000108.5
42P36.8Very low30.2Very low124 Ų124143.5 Ų143.581%0.80580%0.804SS**  -143.1150.793.931.4-13.2000116.2
43D29.5Very low30.6Very low123 Ų123145.4 Ų145.466%0.65880%0.801SS**  trans-39.5138.5158.3-147.8-61.5000114.4
44K28.2Very low30.1Very low203 Ų203141.3 Ų141.388%0.88380%0.804SS**  trans-178.2115.7135-97.9159.4-175.2-177.50111.9
45C27.7Very low30Very low126 Ų126138.7 Ų138.785%0.85180%0.804SS**  trans-78.7140.9159-60.20000110.2
46A30.6Very low30.9Very low101 Ų101137.4 Ų137.484%0.83579%0.794SS**  trans-167.1140.1148.600000110.8
47E29.9Very low30.9Very low186 Ų186134.3 Ų134.387%0.86979%0.792SS**  trans-92.8-175.2-171.7-53.3-177.198.300113.3
48D29.4Very low31.1Very low142 Ų142139 Ų13976%0.75980%0.797SS**  trans77.3132.6173.9-89.7-87000116.7R50D48-R50 IonicContact OD1-NH2 2.66Å
49G27.6Very low31.3Very low59 Ų59137.6 Ų137.661%0.60879%0.794SS**  cis136.7132.715.100000109
50R32.2Very low31.7Very low212 Ų212140.4 Ų140.480%0.879%0.792SS**  trans72.8148.1162.5-71.9178.3-87.6-155.1-8117.8D48D48-R50 IonicContact OD1-NH2 2.66Å
51D27.7Very low32Very low133 Ų133137.3 Ų137.371%0.71178%0.781SS**  cis-169.2159.43.1-108.6-47.5000109.8
52M34.1Very low32.3Very low153 Ų153138.2 Ų138.275%0.75478%0.782SS**  trans70.8108.3142.4-82.8-95.5159.500124.9
53M37Very low32.1Very low174 Ų174140.3 Ų140.386%0.85778%0.781SS**  43.4127.1121.5-60.5-97-161.300122.1
54G27.4Very low32.2Very low81 Ų81140.6 Ų140.684%0.83579%0.787SS**  trans-175.391.6157.900000113.4
55A30Very low32.3Very low99 Ų99135.4 Ų135.482%0.81878%0.777SS**  trans-103.4-177.4155.200000107.6
56P48.5Very low32.7Very low111 Ų111135 Ų13572%0.72178%0.775SS**  cis-135.5174.6-6.439.6-23.2000113
57V31.3Very low33.7Very low144 Ų144135.6 Ų135.687%0.87377%0.77SS**  trans-153.4124137.4-165.50000109.4
58E33.9Very low34.2Very low162 Ų162132.4 Ų132.476%0.75777%0.766SS**  trans-90.8150.4170.6-57.4-161.2134.200111.5
59V31.5Very low34.6Very low142 Ų142128.6 Ų128.686%0.86175%0.754SS**  trans-151133.7138.2-154.40000110.1
60L36.8Very low35.7Very low132 Ų132133.9 Ų133.969%0.69177%0.765SS**  trans-73.6167.6176.8-62.3140.9000110.6
61D32.1Very low35.7Very low131 Ų131128.4 Ų128.470%0.70177%0.765SS**  -168.114258.3-81.8-71.8000114.4
62E36.1Very low36.6Very low165 Ų165128 Ų12877%0.77177%0.773SS**  trans47.9124.6134.6-75-168.519.900127.5
63E33.6Very low37Very low167 Ų167124 Ų12478%0.7876%0.764SS**  67.2115.4125.2-52.5-87.494.800121.6
64T29.5Very low37.2Very low129 Ų129121.1 Ų121.179%0.79176%0.758SS**  -177.7131113.3-171.60000114.3
65S31Very low37.9Very low95 Ų95123.7 Ų123.766%0.66475%0.752SS**  trans69.4109.5143.966.80000123.7
66S36.5Very low38.9Very low116 Ų116126.8 Ų126.881%0.81175%0.754SS**  trans75.4141132.5-58.90000122.1
67P51.3Low39.3Very low115 Ų115124.7 Ų124.775%0.74775%0.753SS**  trans-97.3159-179.138.9-32.5000113.2
68P40.4Very low41.2Very low119 Ų119125.7 Ų125.777%0.77374%0.741SS**  trans-121.1116.1139.132.6-20.1000107.5
69A37.6Very low43.8Very low61 Ų61119.7 Ų119.750%0.50472%0.717SS.*  52.890.56500000111.9
70M50.5Low46.6Very low170 Ų170116.5 Ų116.584%0.83770%0.697SS**  trans55.3111.8156.744.8-87.7170.300120.3
71A32.9Very low49.2Very low98 Ų98110.2 Ų110.281%0.8167%0.665SS**  trans-139.298.3135.400000108.9A73A71-A73 PolarHBondContact O-N 3.22Å
72S47.3Very low51.9Low124 Ų124106 Ų10687%0.86765%0.647SS**  trans-63.487.2159.6-49.60000107.4
73A41.3Very low54.4Low70 Ų70102.5 Ų102.558%0.57963%0.634SS**  trans-64143.7167.800000108.6A71 L75A71-A73 PolarHBondContact O-N 3.22Å; A73-L75 PolarHBondContact O-N 3.49Å; A73-L75 VanDerWaalsContact O-N 3.12Å
74P41.3Very low57Low112 Ų11296.7 Ų96.773%0.72761%0.611SS**  trans-61121173.2-7.822000107.6L76P74-L76 HydrophobicContact CB-CD1 4.46Å; P74-L76 HydrophobicContact CB-CG 4.46Å; P74-L76 PolarHBondContact O-N 3.27Å
75L41.7Very low59.8Low136 Ų13696.6 Ų96.671%0.71261%0.606SS**  trans-69.560.4177.8-66.3173.7000111.5A73A73-L75 PolarHBondContact O-N 3.49Å; A73-L75 VanDerWaalsContact O-N 3.12Å
76L52.2Low62.6Low164 Ų16498.2 Ų98.286%0.85960%0.603SS**  trans-95.992171.2-69.1172.3000107.7P74P74-L76 HydrophobicContact CB-CD1 4.46Å; P74-L76 HydrophobicContact CB-CG 4.46Å; P74-L76 PolarHBondContact O-N 3.27Å
77G57.4Low65.2Low67 Ų6796.9 Ų96.969%0.69158%0.584SS**SBendtrans142.7-7.8162.100000117.9S79G77-S79 PolarHBondContact O-N 3.46Å
78R70.9Confident67Low164 Ų16491.8 Ų91.862%0.61955%0.551SS**  trans-79.1106.3-178.5-60.6-168167.5166.10.8110.9V80 E87R78-V80 PolarHBondContact O-N 3.38Å; R78-E87 HydrophobicContact CB-CG 4.44Å; R78-E87 WeakPolarHBondContact CB-OE1 3.48Å; R78-E87 WeakPolarHBondContact CD-OE1 3.34Å; R78-E87 WeakPolarHBondContact CG-OE1 3.26Å; R78-E87 IonicContact NE-OE1 3.16Å; R78-E87 PolarHBondContact NE-OE1 3.06Å; R78-E87 IonicContact NE-OE2 3.39Å
79S87.5Confident69.2Low37 Ų3792.1 Ų92.126%0.25955%0.55SS..  trans-79.5114.3176.5-64.20000109.2G77 I88G77-S79 PolarHBondContact O-N 3.46Å; S79-I88 WeakPolarHBondContact O-CB 3.29Å; S79-I88 WeakPolarHBondContact O-CG1 3.39Å; S79-I88 PolarHBondContact O-N 2.79Å
80V90.8Very high71.5Confident74 Ų7492.3 Ų92.345%0.44854%0.543SS..BIsolated β-bridgetrans-98.2135.8179.5179.60000109.8R78 A82 N85 E86R78-V80 PolarHBondContact O-N 3.38Å; V80-A82 PolarHBondContact O-N 3Å; V80-N85 WeakPolarHBondContact CG1-O 3.35Å; V80-E86 WeakPolarHBondContact CA-O 3.48Å
81C91Very high73.2Confident1 Ų191.2 Ų91.21%0.00753%0.533CS..BIsolated β-bridgetrans-70.9127.6178.5-179.30000111.4N83 C84 N85 E86 I88 C100 H102 C105C81-N83 PolarHBondContact O-N 3.06Å; C81-N83 PolarHBondContact SG-N 2.81Å; C81-C84 VanDerWaalsContact CB-SG 3.52Å; C81-C84 VanDerWaalsContact SG-SG 3.68Å; C81-N85 WeakPolarHBondContact O-CA 3.37Å; C81-N85 PolarHBondContact O-N 2.95Å; C81-E86 PolarHBondContact N-O 2.96Å; C81-I88 HydrophobicContact CB-CD1 4.18Å; C81-I88 HydrophobicContact CB-CG1 3.91Å; C81-C100 CarbonylContact C-O 3.55Å; C81-C100 WeakPolarHBondContact CA-O 3.31Å; C81-H102 WeakPolarHBondContact CB-ND1 3.33Å; C81-C105 VanDerWaalsContact SG-CB 3.57Å
82A88.5Confident75.7Confident41 Ų4191.6 Ų91.634%0.33951%0.514SS..THydrogen-bonded Turntrans-69.4-14.5179.600000114.9V80 L99 C100 W101V80-A82 PolarHBondContact O-N 3Å; A82-L99 HydrophobicContact CB-CB 4.05Å; A82-L99 HydrophobicContact CB-CD1 4.19Å; A82-L99 HydrophobicContact CB-CG 4.5Å; A82-C100 PolarHBondContact N-O 3.37Å; A82-W101 HydrophobicContact CB-CD2 4.07Å; A82-W101 HydrophobicContact CB-CE3 4.21Å; A82-W101 HydrophobicContact CB-CH2 3.8Å; A82-W101 HydrophobicContact CB-CZ2 3.64Å; A82-W101 HydrophobicContact CB-CZ3 4.1Å
83N88.5Confident77.7Confident93 Ų9386.3 Ų86.350%0.49748%0.476SS..THydrogen-bonded Turntrans-94.8-49.3178.3-163.848.8000113.3C81 W101 C105C81-N83 PolarHBondContact O-N 3.06Å; C81-N83 PolarHBondContact SG-N 2.81Å; N83-W101 HydrophobicContact CB-CE3 3.87Å; N83-W101 HydrophobicContact CB-CZ3 3.71Å; N83-C105 HydrophobicContact CB-CB 3.89Å
84C90.1Very high80Confident44 Ų4483.1 Ų83.130%0.29745%0.45SS..THydrogen-bonded Turntrans-101.6-6.1-175.963.50000113.9C81 E86 H102C81-C84 VanDerWaalsContact CB-SG 3.52Å; C81-C84 VanDerWaalsContact SG-SG 3.68Å; C84-E86 PolarHBondContact O-N 3.34Å; C84-E86 VanDerWaalsContact O-N 3.09Å; C84-H102 PolarHBondContact SG-CE1 3.41Å; C84-H102 PolarHBondContact SG-ND1 3.4Å; C84-H102 VanDerWaalsContact SG-ND1 3.39Å
85N88.1Confident82.2Confident128 Ų12881.6 Ų81.668%0.68443%0.431SS*.  trans61.112.5-179.6-59.899.8000115.4V80 C81V80-N85 WeakPolarHBondContact CG1-O 3.35Å; C81-N85 WeakPolarHBondContact O-CA 3.37Å; C81-N85 PolarHBondContact O-N 2.95Å
86E89.4Confident84.4Confident129 Ų12975.1 Ų75.160%0.60340%0.398SS*.SBendtrans-91.7157.5175-66.4173.8170.400111.6V80 C81 C84V80-E86 WeakPolarHBondContact CA-O 3.48Å; C81-E86 PolarHBondContact N-O 2.96Å; C84-E86 PolarHBondContact O-N 3.34Å; C84-E86 VanDerWaalsContact O-N 3.09Å
87E91.1Very high86Confident88 Ų8872.1 Ų72.141%0.41138%0.383SS..BIsolated β-bridgetrans-67.2133.8173.9-175.3169.3-168.700110.7R78 V89R78-E87 HydrophobicContact CB-CG 4.44Å; R78-E87 WeakPolarHBondContact CB-OE1 3.48Å; R78-E87 WeakPolarHBondContact CD-OE1 3.34Å; R78-E87 WeakPolarHBondContact CG-OE1 3.26Å; R78-E87 IonicContact NE-OE1 3.16Å; R78-E87 PolarHBondContact NE-OE1 3.06Å; R78-E87 IonicContact NE-OE2 3.39Å; E87-V89 PolarHBondContact O-N 2.83Å
88I89Confident87.2Confident8 Ų875 Ų754%0.04138%0.382CS..  trans-81.8101.3179.1-57.9170.1000108.7S79 C81 D90 L93 C100 H102S79-I88 WeakPolarHBondContact O-CB 3.29Å; S79-I88 WeakPolarHBondContact O-CG1 3.39Å; S79-I88 PolarHBondContact O-N 2.79Å; C81-I88 HydrophobicContact CB-CD1 4.18Å; C81-I88 HydrophobicContact CB-CG1 3.91Å; I88-D90 HydrophobicContact CG2-CB 4.09Å; I88-L93 HydrophobicContact CD1-CB 4.23Å; I88-L93 HydrophobicContact CG2-CB 3.85Å; I88-C100 HydrophobicContact CD1-CB 3.56Å; I88-H102 WeakPolarHBondContact CA-NE2 3.36Å
89V86.6Confident88Confident125 Ų12571.2 Ų71.276%0.75837%0.374SS*.  trans-95-4.6175.1-161.20000111.4E87E87-V89 PolarHBondContact O-N 2.83Å
90D85.3Confident88.2Confident65 Ų6570.7 Ų70.735%0.34837%0.37SS..SBendtrans-61.2146.4178.5-73.3-17.7000111.5V14 I88 Y92 H102V14-D90 WeakPolarHBondContact CB-O 3.4Å; V14-D90 WeakPolarHBondContact CG2-O 3.42Å; I88-D90 HydrophobicContact CG2-CB 4.09Å; D90-Y92 WeakPolarHBondContact CB-O 3.46Å; D90-Y92 PolarHBondContact O-N 3.31Å; D90-Y92 VanDerWaalsContact O-N 3.14Å; D90-H102 IonicContact OD2-CD2 2.82Å; D90-H102 PolarHBondContact OD2-CD2 3.39Å; D90-H102 IonicContact OD2-CG 3.76Å
91K85.4Confident88.2Confident147 Ų14768 Ų6864%0.63935%0.352SS*.SBendtrans-56.9-30.3175.1-176.4178.2179.6-1650113.1A13 V14A13-K91 WeakPolarHBondContact CA-O 3.5Å; V14-K91 PolarHBondContact N-O 3.41Å
92Y85.5Confident88.2Confident107 Ų10768.8 Ų68.842%0.4236%0.355SS..EExtended strand (participates in β ladder)trans-130133.3-179.1-56.1-77.4000109.7C12 A13 D90C12-Y92 CarbonylContact O-C 3.56Å; C12-Y92 WeakPolarHBondContact O-CA 3.46Å; A13-Y92 HydrophobicContact CB-CD1 4.2Å; A13-Y92 HydrophobicContact CB-CE1 4.21Å; D90-Y92 WeakPolarHBondContact CB-O 3.46Å; D90-Y92 PolarHBondContact O-N 3.31Å; D90-Y92 VanDerWaalsContact O-N 3.14Å
93L89.9Confident88.2Confident13 Ų1369.7 Ų69.77%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-114.6155.7172.769.676.2000110.8C12 V14 I88 K95C12-L93 HydrophobicContact CB-CD1 3.87Å; C12-L93 HydrophobicContact CB-CG 4.22Å; C12-L93 PolarHBondContact N-O 3.14Å; C12-L93 PolarHBondContact O-N 2.89Å; V14-L93 HydrophobicContact CG2-CB 4.07Å; V14-L93 HydrophobicContact CG2-CD2 3.79Å; V14-L93 HydrophobicContact CG2-CG 3.99Å; I88-L93 HydrophobicContact CD1-CB 4.23Å; I88-L93 HydrophobicContact CG2-CB 3.85Å; L93-K95 HydrophobicContact CD1-CB 4.36Å
94L89.4Confident88.2Confident3 Ų375 Ų752%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-104.7127.4172.8-58.1179.5000109.7V9 E10 C11 C100 W101 V103 L106 G116V9-L94 HydrophobicContact CG1-CB 4.31Å; V9-L94 HydrophobicContact CG1-CD1 4.23Å; V9-L94 HydrophobicContact CG1-CD2 4.05Å; V9-L94 HydrophobicContact CG1-CG 4.44Å; E10-L94 CarbonylContact O-C 3.59Å; E10-L94 WeakPolarHBondContact O-CA 3.18Å; C11-L94 HydrophobicContact CB-CD2 4Å; L94-C100 CarbonylContact O-C 3.57Å; L94-C100 WeakPolarHBondContact O-CA 3.31Å; L94-W101 HydrophobicContact CB-CB 4.38Å; L94-W101 PolarHBondContact N-O 2.99Å; L94-W101 PolarHBondContact O-N 3.38Å; L94-V103 HydrophobicContact CD1-CB 4.47Å; L94-V103 HydrophobicContact CD1-CG2 4.47Å; L94-V103 HydrophobicContact CG-CG2 4.23Å; L94-L106 HydrophobicContact CD1-CB 3.98Å; L94-L106 HydrophobicContact CD1-CD2 3.74Å; L94-G116 VanDerWaalsContact CD1-CA 3.47Å
95K88Confident88.2Confident79 Ų7973.7 Ų73.734%0.34336%0.36SS..EExtended strand (participates in β ladder)trans-104.5122.6173.5-165.7178176.6-1700109.8E10 L93 D98 L99E10-K95 PolarHBondContact N-O 3.44Å; E10-K95 VanDerWaalsContact N-O 3.16Å; E10-K95 PolarHBondContact O-N 3.08Å; L93-K95 HydrophobicContact CD1-CB 4.36Å; K95-D98 VanDerWaalsContact CE-OD1 3.3Å; K95-D98 WeakPolarHBondContact CE-OD1 3.44Å; K95-D98 IonicContact NZ-OD1 3.66Å; K95-D98 PolarHBondContact NZ-OD1 3.4Å; K95-D98 VanDerWaalsContact NZ-OD1 3.16Å; K95-L99 WeakPolarHBondContact CA-O 3.35Å
96V88.3Confident88.3Confident1 Ų167.6 Ų67.61%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-139.8120.7-180-173.40000109V7 V9 D98 L99 L106 C121 I123V7-V96 HydrophobicContact CB-CG1 3.95Å; V7-V96 HydrophobicContact CG1-CG1 3.57Å; V9-V96 HydrophobicContact CB-CG2 4.36Å; V9-V96 HydrophobicContact CG1-CG2 4.14Å; V9-V96 HydrophobicContact CG2-CG2 4.03Å; V96-D98 VanDerWaalsContact C-N 3.27Å; V96-D98 PolarHBondContact O-N 3.08Å; V96-L99 PolarHBondContact N-O 3.1Å; V96-L99 WeakPolarHBondContact O-CB 3.24Å; V96-L99 PolarHBondContact O-N 3.5Å; V96-L106 HydrophobicContact CG2-CD1 4.06Å; V96-L106 HydrophobicContact CG2-CD2 3.9Å; V96-C121 WeakPolarHBondContact CG1-SG 3.36Å; V96-I123 HydrophobicContact CG1-CD1 3.56Å
97N84.9Confident88.5Confident101 Ų10162.5 Ų62.554%0.5431%0.306SS..THydrogen-bonded Turntrans51.944.7179.6-165.465.2000112.6V7 L99 I123V7-N97 HydrophobicContact CG1-CB 4.1Å; V7-N97 HydrophobicContact CG2-CB 4.46Å; N97-L99 PolarHBondContact O-N 3.08Å; N97-L99 VanDerWaalsContact O-N 3.12Å; N97-I123 HydrophobicContact CB-CD1 4.02Å
98D83.6Confident88.6Confident128 Ų12858.3 Ų58.368%0.68429%0.287SS*.THydrogen-bonded Turntrans62.38.3-175.7-63.3-53.7000116.9K95 V96K95-D98 VanDerWaalsContact CE-OD1 3.3Å; K95-D98 WeakPolarHBondContact CE-OD1 3.44Å; K95-D98 IonicContact NZ-OD1 3.66Å; K95-D98 PolarHBondContact NZ-OD1 3.4Å; K95-D98 VanDerWaalsContact NZ-OD1 3.16Å; V96-D98 VanDerWaalsContact C-N 3.27Å; V96-D98 PolarHBondContact O-N 3.08Å
99L87.6Confident88.7Confident84 Ų8460.1 Ų60.144%0.4430%0.3SS..EExtended strand (participates in β ladder)trans-100.1146.4171.8-61.7175.6000110.8A82 K95 V96 N97 W101A82-L99 HydrophobicContact CB-CB 4.05Å; A82-L99 HydrophobicContact CB-CD1 4.19Å; A82-L99 HydrophobicContact CB-CG 4.5Å; K95-L99 WeakPolarHBondContact CA-O 3.35Å; V96-L99 PolarHBondContact N-O 3.1Å; V96-L99 WeakPolarHBondContact O-CB 3.24Å; V96-L99 PolarHBondContact O-N 3.5Å; N97-L99 PolarHBondContact O-N 3.08Å; N97-L99 VanDerWaalsContact O-N 3.12Å; L99-W101 HydrophobicContact CB-CZ2 4.27Å; L99-W101 HydrophobicContact CD1-CZ2 4.03Å; L99-W101 VanDerWaalsContact O-CD1 3.31Å; L99-W101 PolarHBondContact O-NE1 3.02Å
100C90.3Very high89Confident26 Ų2656.6 Ų56.618%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-99.2141.6177.3-58.70000110.5C81 A82 I88 L94C81-C100 CarbonylContact C-O 3.55Å; C81-C100 WeakPolarHBondContact CA-O 3.31Å; A82-C100 PolarHBondContact N-O 3.37Å; I88-C100 HydrophobicContact CD1-CB 3.56Å; L94-C100 CarbonylContact O-C 3.57Å; L94-C100 WeakPolarHBondContact O-CA 3.31Å
101W91.3Very high89.3Confident18 Ų1856 Ų567%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-139.8143.2-176.9-5278000110.1A82 N83 L94 L99 L106 V128A82-W101 HydrophobicContact CB-CD2 4.07Å; A82-W101 HydrophobicContact CB-CE3 4.21Å; A82-W101 HydrophobicContact CB-CH2 3.8Å; A82-W101 HydrophobicContact CB-CZ2 3.64Å; A82-W101 HydrophobicContact CB-CZ3 4.1Å; N83-W101 HydrophobicContact CB-CE3 3.87Å; N83-W101 HydrophobicContact CB-CZ3 3.71Å; L94-W101 HydrophobicContact CB-CB 4.38Å; L94-W101 PolarHBondContact N-O 2.99Å; L94-W101 PolarHBondContact O-N 3.38Å; L99-W101 HydrophobicContact CB-CZ2 4.27Å; L99-W101 HydrophobicContact CD1-CZ2 4.03Å; L99-W101 VanDerWaalsContact O-CD1 3.31Å; L99-W101 PolarHBondContact O-NE1 3.02Å; W101-L106 HydrophobicContact CB-CB 4.09Å; W101-L106 HydrophobicContact CB-CD1 4.4Å; W101-L106 HydrophobicContact CD2-CD1 3.81Å; W101-L106 HydrophobicContact CE3-CD1 4.17Å; W101-L106 HydrophobicContact CG-CB 4.47Å; W101-L106 HydrophobicContact CG-CD1 3.89Å; W101-V128 HydrophobicContact CH2-CG2 3.92Å; W101-V128 HydrophobicContact CZ2-CG2 4.22Å; W101-V128 HydrophobicContact CZ3-CG2 4.42Å
102H90.9Very high89.6Confident16 Ų1655 Ų557%0.07428%0.277CS..  trans-64.2152161.1-59.2117.8000110.1C81 C84 I88 D90 R104 C105 L106C81-H102 WeakPolarHBondContact CB-ND1 3.33Å; C84-H102 PolarHBondContact SG-CE1 3.41Å; C84-H102 PolarHBondContact SG-ND1 3.4Å; C84-H102 VanDerWaalsContact SG-ND1 3.39Å; I88-H102 WeakPolarHBondContact CA-NE2 3.36Å; D90-H102 IonicContact OD2-CD2 2.82Å; D90-H102 PolarHBondContact OD2-CD2 3.39Å; D90-H102 IonicContact OD2-CG 3.76Å; H102-R104 HydrophobicContact CB-CG 4.03Å; H102-R104 PolarHBondContact O-N 3.32Å; H102-C105 HydrophobicContact CB-CB 3.79Å; H102-C105 PolarHBondContact ND1-SG 2.99Å; H102-C105 VanDerWaalsContact ND1-SG 3.44Å; H102-C105 PolarHBondContact O-N 3.13Å; H102-L106 PolarHBondContact O-N 3.3Å; H102-L106 VanDerWaalsContact O-N 3.1Å
103V88.3Confident89.8Confident60 Ų6053.4 Ų53.436%0.36428%0.278SS..THydrogen-bonded Turntrans-55.2-40.2176.4-1780000111.5L94 S114L94-V103 HydrophobicContact CD1-CB 4.47Å; L94-V103 HydrophobicContact CD1-CG2 4.47Å; L94-V103 HydrophobicContact CG-CG2 4.23Å; V103-S114 PolarHBondContact O-OG 3.24Å
104R88.6Confident89.9Confident204 Ų20455.2 Ų55.277%0.7729%0.292SS*.THydrogen-bonded Turntrans-76.3-26.6176.761.7176.268.8-150.90.8114.3H102H102-R104 HydrophobicContact CB-CG 4.03Å; H102-R104 PolarHBondContact O-N 3.32Å
105C89.7Confident90Very high17 Ų1755 Ų5512%0.11529%0.291CS..THydrogen-bonded Turntrans-85.6-23-174.6-70.60000112.8C81 N83 H102 S107C81-C105 VanDerWaalsContact SG-CB 3.57Å; N83-C105 HydrophobicContact CB-CB 3.89Å; H102-C105 HydrophobicContact CB-CB 3.79Å; H102-C105 PolarHBondContact ND1-SG 2.99Å; H102-C105 VanDerWaalsContact ND1-SG 3.44Å; H102-C105 PolarHBondContact O-N 3.13Å; C105-S107 PolarHBondContact O-N 3.38Å
106L91Very high89.8Confident0 Ų052.2 Ų52.20%029%0.285CS..  trans-75.193.8169.4-168.674.1000109V9 L94 V96 W101 H102 L115 V128V9-L106 HydrophobicContact CG1-CD2 3.92Å; V9-L106 HydrophobicContact CG2-CD2 4.03Å; L94-L106 HydrophobicContact CD1-CB 3.98Å; L94-L106 HydrophobicContact CD1-CD2 3.74Å; V96-L106 HydrophobicContact CG2-CD1 4.06Å; V96-L106 HydrophobicContact CG2-CD2 3.9Å; W101-L106 HydrophobicContact CB-CB 4.09Å; W101-L106 HydrophobicContact CB-CD1 4.4Å; W101-L106 HydrophobicContact CD2-CD1 3.81Å; W101-L106 HydrophobicContact CE3-CD1 4.17Å; W101-L106 HydrophobicContact CG-CB 4.47Å; W101-L106 HydrophobicContact CG-CD1 3.89Å; H102-L106 PolarHBondContact O-N 3.3Å; H102-L106 VanDerWaalsContact O-N 3.1Å; L106-L115 HydrophobicContact CD2-CB 4.09Å; L106-L115 HydrophobicContact CG-CB 4.11Å; L106-L115 PolarHBondContact O-N 3.4Å; L106-V128 HydrophobicContact CD1-CG1 4.06Å; L106-V128 HydrophobicContact CD1-CG2 4.41Å
107S93.3Very high89.6Confident22 Ų2257.5 Ų57.515%0.15432%0.321CS..BIsolated β-bridgetrans-132.7155.1-178.5580000110.8C105 T113C105-S107 PolarHBondContact O-N 3.38Å; S107-T113 WeakPolarHBondContact CA-O 3.4Å
108C93.4Very high89.6Confident0 Ų056.5 Ų56.50%031%0.314CS..  trans-73.7129176.2177.70000111.1V110 C111 Q112 T113 L115 V128 C130C108-V110 PolarHBondContact O-N 3.13Å; C108-V110 PolarHBondContact SG-N 3.06Å; C108-V110 VanDerWaalsContact SG-N 3.43Å; C108-C111 WeakPolarHBondContact CB-SG 3.43Å; C108-Q112 WeakPolarHBondContact O-CA 3.46Å; C108-Q112 PolarHBondContact O-N 2.93Å; C108-T113 PolarHBondContact N-O 3.03Å; C108-L115 HydrophobicContact CB-CD1 4.31Å; C108-V128 CarbonylContact C-O 3.57Å; C108-V128 WeakPolarHBondContact CA-O 3.45Å; C108-C130 HydrophobicContact CB-CB 3.93Å; C108-C130 PolarHBondContact SG-N 3.17Å
109S92.1Very high89.6Confident47 Ų4754.4 Ų54.433%0.32931%0.314SS..THydrogen-bonded Turntrans-60.6-14.2178.1-55.60000114.8V128S109-V128 PolarHBondContact N-O 3.42Å; S109-V128 PolarHBondContact OG-O 2.89Å
110V91.4Very high89.7Confident51 Ų5151.8 Ų51.831%0.30930%0.303SS..THydrogen-bonded Turntrans-101-60.3-178.2-173.50000111.6C108 F129 D133C108-V110 PolarHBondContact O-N 3.13Å; C108-V110 PolarHBondContact SG-N 3.06Å; C108-V110 VanDerWaalsContact SG-N 3.43Å; V110-F129 HydrophobicContact CG2-CD1 3.76Å; V110-F129 HydrophobicContact CG2-CE1 3.72Å; V110-D133 HydrophobicContact CB-CB 3.98Å; V110-D133 HydrophobicContact CG1-CB 4.31Å; V110-D133 HydrophobicContact CG2-CB 4.07Å
111C92.2Very high89.7Confident53 Ų5350.6 Ų50.636%0.35829%0.294SS..THydrogen-bonded Turntrans-94.2-5.2-176.466.20000114.2C108 T113 D133C108-C111 WeakPolarHBondContact CB-SG 3.43Å; C111-T113 PolarHBondContact O-N 3Å; C111-T113 VanDerWaalsContact SG-CB 3.59Å; C111-T113 PolarHBondContact SG-OG1 3.22Å; C111-D133 WeakPolarHBondContact CB-OD2 3.49Å; C111-D133 PolarHBondContact SG-OD2 2.76Å
112Q91.1Very high89.6Confident126 Ų12649.9 Ų49.959%0.58929%0.292SS*.  trans56.712.1-177-59.7-63.5-25.900114.8C108 S114C108-Q112 WeakPolarHBondContact O-CA 3.46Å; C108-Q112 PolarHBondContact O-N 2.93Å; Q112-S114 PolarHBondContact O-N 3.26Å
113T90.9Very high89.6Confident72 Ų7250.6 Ų50.644%0.44230%0.296SS..  trans-65.7132.3174.6-54.20000109.5S107 C108 C111 L115S107-T113 WeakPolarHBondContact CA-O 3.4Å; C108-T113 PolarHBondContact N-O 3.03Å; C111-T113 PolarHBondContact O-N 3Å; C111-T113 VanDerWaalsContact SG-CB 3.59Å; C111-T113 PolarHBondContact SG-OG1 3.22Å; T113-L115 PolarHBondContact O-N 3.02Å
114S91.5Very high89.6Confident51 Ų5150.9 Ų50.936%0.35729%0.292SS..BIsolated β-bridgetrans-64.3127173.6178.40000110.1V103 Q112 G116V103-S114 PolarHBondContact O-OG 3.24Å; Q112-S114 PolarHBondContact O-N 3.26Å; S114-G116 VanDerWaalsContact C-N 3.33Å; S114-G116 PolarHBondContact OG-N 3.17Å
115L91.2Very high89.5Confident0 Ų048.1 Ų48.10%029%0.288CS..  trans-95.19178.9-61.4174.6000112.2L106 C108 T113 S117 H118 C121 V128 C130L106-L115 HydrophobicContact CD2-CB 4.09Å; L106-L115 HydrophobicContact CG-CB 4.11Å; L106-L115 PolarHBondContact O-N 3.4Å; C108-L115 HydrophobicContact CB-CD1 4.31Å; T113-L115 PolarHBondContact O-N 3.02Å; L115-S117 VanDerWaalsContact C-N 3.25Å; L115-S117 PolarHBondContact O-N 3.39Å; L115-H118 HydrophobicContact CD2-CB 4.47Å; L115-H118 WeakPolarHBondContact O-CB 3.46Å; L115-H118 PolarHBondContact O-N 3.41Å; L115-C121 HydrophobicContact CD1-CB 3.86Å; L115-V128 HydrophobicContact CD1-CG1 3.65Å; L115-C130 HydrophobicContact CD2-CB 3.69Å
116G83.8Confident89.1Confident20 Ų2057 Ų5721%0.20632%0.324CS..THydrogen-bonded Turntrans-66.4-25.6-176.400000114.5L94 S114L94-G116 VanDerWaalsContact CD1-CA 3.47Å; S114-G116 VanDerWaalsContact C-N 3.33Å; S114-G116 PolarHBondContact OG-N 3.17Å
117S84.2Confident89.1Confident111 Ų11160.7 Ų60.778%0.77634%0.342SS*.THydrogen-bonded Turntrans-89.5-6.9173.657.60000113.7L115L115-S117 VanDerWaalsContact C-N 3.25Å; L115-S117 PolarHBondContact O-N 3.39Å
118H84.7Confident88.9Confident81 Ų8160 Ų6038%0.37534%0.336SS..  trans-87.4135.8-177.2-71.5-103.9000111V9 L115 S120V9-H118 WeakPolarHBondContact CB-O 3.3Å; L115-H118 HydrophobicContact CD2-CB 4.47Å; L115-H118 WeakPolarHBondContact O-CB 3.46Å; L115-H118 PolarHBondContact O-N 3.41Å; H118-S120 VanDerWaalsContact C-N 3.27Å; H118-S120 PolarHBondContact O-N 2.98Å
119A84.8Confident88.9Confident84 Ų8460 Ų6069%0.69434%0.336SS*.SBendtrans-68.4-23.5179.200000114.1V9V9-A119 PolarHBondContact N-O 3.35Å
120S88.1Confident88.8Confident29 Ų2958.3 Ų58.320%0.20333%0.325CS..EExtended strand (participates in β ladder)trans-145.8152.7175.564.90000111.3E6 V7 H118E6-S120 PolarHBondContact OE1-OG 2.87Å; V7-S120 WeakPolarHBondContact O-CA 3.46Å; V7-S120 WeakPolarHBondContact O-CB 3.12Å; H118-S120 VanDerWaalsContact C-N 3.27Å; H118-S120 PolarHBondContact O-N 2.98Å
121C90.4Very high88.6Confident0 Ų061.5 Ų61.50%034%0.335CS..EExtended strand (participates in β ladder)trans-131.6167.2171.863.50000109.6V7 V9 V96 L115 V128V7-C121 PolarHBondContact N-O 2.9Å; V7-C121 PolarHBondContact O-N 3.03Å; V7-C121 VanDerWaalsContact O-O 3.12Å; V9-C121 HydrophobicContact CG2-CB 4.08Å; V96-C121 WeakPolarHBondContact CG1-SG 3.36Å; L115-C121 HydrophobicContact CD1-CB 3.86Å; C121-V128 HydrophobicContact CB-CG1 4.23Å
122Y90.8Very high88.4Confident3 Ų364.7 Ų64.71%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-115.4128.8-179-68.6-97.3000109.9S5 E6 F129 K131 Y134 F135S5-Y122 WeakPolarHBondContact O-CA 3.42Å; E6-Y122 HydrophobicContact CB-CD1 4.06Å; E6-Y122 HydrophobicContact CB-CE1 3.56Å; E6-Y122 VanDerWaalsContact CD-OH 3.23Å; E6-Y122 HydrophobicContact CG-CE1 3.94Å; E6-Y122 HydrophobicContact CG-CE2 4.43Å; E6-Y122 PolarHBondContact OE2-OH 2.59Å; Y122-F129 PolarHBondContact N-O 3.36Å; Y122-F129 PolarHBondContact O-N 2.96Å; Y122-K131 HydrophobicContact CD2-CB 4.24Å; Y122-K131 HydrophobicContact CE2-CB 3.73Å; Y122-K131 HydrophobicContact CE2-CD 4.42Å; Y122-K131 HydrophobicContact CE2-CG 3.68Å; Y122-Y134 VanDerWaalsContact CB-CD2 3.49Å; Y122-Y134 VanDerWaalsContact CB-CG 3.42Å; Y122-Y134 AromaticContact CD1-CD1 3.45Å; Y122-Y134 HydrophobicContact CD1-CD1 3.45Å; Y122-Y134 VanDerWaalsContact CD1-CD1 3.45Å; Y122-Y134 HydrophobicContact CD1-CD2 4.36Å; Y122-Y134 AromaticContact CD1-CE1 3.72Å; Y122-Y134 HydrophobicContact CD1-CE1 3.72Å; Y122-Y134 AromaticContact CD1-CG 3.81Å; Y122-Y134 HydrophobicContact CD1-CG 3.81Å; Y122-Y134 HydrophobicContact CD2-CG 4.43Å; Y122-Y134 HydrophobicContact CE1-CD1 4.05Å; Y122-Y134 HydrophobicContact CE1-CE1 4.29Å; Y122-Y134 AromaticContact CG-CD1 3.75Å; Y122-Y134 HydrophobicContact CG-CD1 3.75Å; Y122-Y134 HydrophobicContact CG-CD2 4.17Å; Y122-Y134 HydrophobicContact CG-CE1 4.39Å; Y122-Y134 AromaticContact CG-CG 3.63Å; Y122-Y134 HydrophobicContact CG-CG 3.63Å; Y122-F135 HydrophobicContact CE1-CE2 4.29Å; Y122-F135 HydrophobicContact CE1-CZ 4.23Å; Y122-F135 HydrophobicContact CE2-CE2 4.38Å; Y122-F135 AromaticContact CZ-CE2 3.87Å
123I89.3Confident88.4Confident31 Ų3159.5 Ų59.516%0.15932%0.324CS..EExtended strand (participates in β ladder)trans-115.3130.2179.2-59.4-178.6000109.5S5 V7 V96 N97 E127 V128S5-I123 PolarHBondContact O-N 3.27Å; S5-I123 VanDerWaalsContact O-N 3.1Å; V7-I123 HydrophobicContact CG2-CD1 4.36Å; V7-I123 HydrophobicContact CG2-CG1 4.39Å; V96-I123 HydrophobicContact CG1-CD1 3.56Å; N97-I123 HydrophobicContact CB-CD1 4.02Å; I123-E127 WeakPolarHBondContact CA-O 3.46Å; I123-V128 HydrophobicContact CD1-CG2 4.48Å; I123-V128 HydrophobicContact CG1-CG2 4.29Å
124K88.3Confident88.4Confident66 Ų6657.1 Ų57.129%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-145.8133.3173.2-172.9175176.7-170.70109.7K126 E127 F129 Y134 Y138K124-K126 PolarHBondContact O-N 3.15Å; K124-K126 VanDerWaalsContact O-N 3.13Å; K124-E127 PolarHBondContact N-O 2.99Å; K124-E127 PolarHBondContact O-N 3.2Å; K124-F129 HydrophobicContact CB-CD2 4.48Å; K124-F129 HydrophobicContact CB-CE2 4.13Å; K124-Y134 HydrophobicContact CB-CE2 4.07Å; K124-Y134 HydrophobicContact CD-CE2 4.22Å; K124-Y138 HydrophobicContact CD-CD1 3.92Å; K124-Y138 HydrophobicContact CD-CD2 3.84Å; K124-Y138 HydrophobicContact CD-CE1 3.91Å; K124-Y138 HydrophobicContact CD-CE2 3.88Å; K124-Y138 HydrophobicContact CD-CG 3.84Å; K124-Y138 VanDerWaalsContact NZ-CE1 3.29Å
125E86.6Confident88.2Confident147 Ų14755.5 Ų55.569%0.68729%0.293SS*.THydrogen-bonded Turntrans55.331.2178.3-66.9162.6-146.100114.1E127E125-E127 PolarHBondContact O-N 2.66Å
126K82.9Confident87.9Confident202 Ų20263.3 Ų63.388%0.87832%0.323SS*.THydrogen-bonded Turntrans71.24.7-174.3-51.6175.4178.5-179.80115.5K124K124-K126 PolarHBondContact O-N 3.15Å; K124-K126 VanDerWaalsContact O-N 3.13Å
127E89.1Confident87.9Confident79 Ų7968.7 Ų68.737%0.36934%0.337SS..EExtended strand (participates in β ladder)trans-94.2146.3171.6-61.9-168.1116.800111.2I123 K124 E125 F129I123-E127 WeakPolarHBondContact CA-O 3.46Å; K124-E127 PolarHBondContact N-O 2.99Å; K124-E127 PolarHBondContact O-N 3.2Å; E125-E127 PolarHBondContact O-N 2.66Å; E127-F129 HydrophobicContact CB-CD2 4.42Å; E127-F129 HydrophobicContact CB-CE2 3.54Å; E127-F129 HydrophobicContact CB-CZ 3.64Å; E127-F129 WeakPolarHBondContact OE2-CZ 3.4Å
128V90.5Very high88Confident6 Ų666.6 Ų66.64%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-102.8128.6179.8-175.40000109.2W101 L106 C108 S109 L115 C121 I123W101-V128 HydrophobicContact CH2-CG2 3.92Å; W101-V128 HydrophobicContact CZ2-CG2 4.22Å; W101-V128 HydrophobicContact CZ3-CG2 4.42Å; L106-V128 HydrophobicContact CD1-CG1 4.06Å; L106-V128 HydrophobicContact CD1-CG2 4.41Å; C108-V128 CarbonylContact C-O 3.57Å; C108-V128 WeakPolarHBondContact CA-O 3.45Å; S109-V128 PolarHBondContact N-O 3.42Å; S109-V128 PolarHBondContact OG-O 2.89Å; L115-V128 HydrophobicContact CD1-CG1 3.65Å; C121-V128 HydrophobicContact CB-CG1 4.23Å; I123-V128 HydrophobicContact CD1-CG2 4.48Å; I123-V128 HydrophobicContact CG1-CG2 4.29Å
129F92.1Very high88.1Confident0 Ų063.3 Ų63.30%030%0.301CS..EExtended strand (participates in β ladder)trans-121.9141.7-178-60.8-83000111.2V110 Y122 K124 E127 Y134 Y138V110-F129 HydrophobicContact CG2-CD1 3.76Å; V110-F129 HydrophobicContact CG2-CE1 3.72Å; Y122-F129 PolarHBondContact N-O 3.36Å; Y122-F129 PolarHBondContact O-N 2.96Å; K124-F129 HydrophobicContact CB-CD2 4.48Å; K124-F129 HydrophobicContact CB-CE2 4.13Å; E127-F129 HydrophobicContact CB-CD2 4.42Å; E127-F129 HydrophobicContact CB-CE2 3.54Å; E127-F129 HydrophobicContact CB-CZ 3.64Å; E127-F129 WeakPolarHBondContact OE2-CZ 3.4Å; F129-Y134 HydrophobicContact CB-CD2 4.18Å; F129-Y134 HydrophobicContact CB-CG 4.46Å; F129-Y134 HydrophobicContact CD2-CD2 4.13Å; F129-Y134 HydrophobicContact CG-CD2 4.32Å; F129-Y138 HydrophobicContact CD2-CE2 4.34Å; F129-Y138 HydrophobicContact CE1-CE2 4.19Å; F129-Y138 AromaticContact CE2-CE2 3.83Å; F129-Y138 HydrophobicContact CE2-CE2 3.83Å; F129-Y138 AromaticContact CZ-CE2 3.76Å; F129-Y138 HydrophobicContact CZ-CE2 3.76Å
130C90.9Very high88.4Confident13 Ų1361.3 Ų61.39%0.08828%0.28CS..  trans-67158.1162.5810000109.2C108 L115 L132 D133 Y134C108-C130 HydrophobicContact CB-CB 3.93Å; C108-C130 PolarHBondContact SG-N 3.17Å; L115-C130 HydrophobicContact CD2-CB 3.69Å; C130-L132 PolarHBondContact O-N 3.38Å; C130-D133 PolarHBondContact O-N 3.41Å; C130-D133 VanDerWaalsContact SG-CG 3.6Å; C130-D133 PolarHBondContact SG-N 2.85Å; C130-D133 PolarHBondContact SG-OD2 3.06Å; C130-Y134 VanDerWaalsContact O-CB 3.3Å; C130-Y134 WeakPolarHBondContact O-CB 3.36Å; C130-Y134 PolarHBondContact O-N 2.94Å
131K88.1Confident88.5Confident118 Ų11865.2 Ų65.251%0.51329%0.29SS..Hα-helixtrans-50.4-47.8177.5-172.3173.2-176.1175.10111.6Y122 F135Y122-K131 HydrophobicContact CD2-CB 4.24Å; Y122-K131 HydrophobicContact CE2-CB 3.73Å; Y122-K131 HydrophobicContact CE2-CD 4.42Å; Y122-K131 HydrophobicContact CE2-CG 3.68Å; K131-F135 HydrophobicContact CG-CD2 3.83Å; K131-F135 HydrophobicContact CG-CE2 3.68Å; K131-F135 WeakPolarHBondContact O-CD2 3.41Å; K131-F135 PolarHBondContact O-N 3.16Å; K131-F135 VanDerWaalsContact O-N 3.15Å
132L87.8Confident88.7Confident120 Ų12065.3 Ų65.363%0.62829%0.291SS*.Hα-helixtrans-62.9-50.7-175.8-176.962.2000112.5C130 F135 R136C130-L132 PolarHBondContact O-N 3.38Å; L132-F135 PolarHBondContact O-N 3.47Å; L132-R136 WeakPolarHBondContact O-CB 3.42Å; L132-R136 PolarHBondContact O-N 2.99Å
133D90.1Very high88.7Confident16 Ų1667.7 Ų67.79%0.08631%0.311CS..Hα-helixtrans-72.9-32.2-177.2-70-40.5000112.6V110 C111 C130 R136 R137V110-D133 HydrophobicContact CB-CB 3.98Å; V110-D133 HydrophobicContact CG1-CB 4.31Å; V110-D133 HydrophobicContact CG2-CB 4.07Å; C111-D133 WeakPolarHBondContact CB-OD2 3.49Å; C111-D133 PolarHBondContact SG-OD2 2.76Å; C130-D133 PolarHBondContact O-N 3.41Å; C130-D133 VanDerWaalsContact SG-CG 3.6Å; C130-D133 PolarHBondContact SG-N 2.85Å; C130-D133 PolarHBondContact SG-OD2 3.06Å; D133-R136 PolarHBondContact O-N 3.16Å; D133-R137 PolarHBondContact O-N 3.25Å
134Y90.8Very high88.8Confident22 Ų2269.6 Ų69.69%0.08633%0.327CS..Hα-helixtrans-59.3-50.5172.3-177.4-98000111.1S5 Y122 K124 F129 C130 R136 R137 Y138S5-Y134 WeakPolarHBondContact CB-OH 3.41Å; S5-Y134 PolarHBondContact OG-OH 2.95Å; Y122-Y134 VanDerWaalsContact CB-CD2 3.49Å; Y122-Y134 VanDerWaalsContact CB-CG 3.42Å; Y122-Y134 AromaticContact CD1-CD1 3.45Å; Y122-Y134 HydrophobicContact CD1-CD1 3.45Å; Y122-Y134 VanDerWaalsContact CD1-CD1 3.45Å; Y122-Y134 HydrophobicContact CD1-CD2 4.36Å; Y122-Y134 AromaticContact CD1-CE1 3.72Å; Y122-Y134 HydrophobicContact CD1-CE1 3.72Å; Y122-Y134 AromaticContact CD1-CG 3.81Å; Y122-Y134 HydrophobicContact CD1-CG 3.81Å; Y122-Y134 HydrophobicContact CD2-CG 4.43Å; Y122-Y134 HydrophobicContact CE1-CD1 4.05Å; Y122-Y134 HydrophobicContact CE1-CE1 4.29Å; Y122-Y134 AromaticContact CG-CD1 3.75Å; Y122-Y134 HydrophobicContact CG-CD1 3.75Å; Y122-Y134 HydrophobicContact CG-CD2 4.17Å; Y122-Y134 HydrophobicContact CG-CE1 4.39Å; Y122-Y134 AromaticContact CG-CG 3.63Å; Y122-Y134 HydrophobicContact CG-CG 3.63Å; K124-Y134 HydrophobicContact CB-CE2 4.07Å; K124-Y134 HydrophobicContact CD-CE2 4.22Å; F129-Y134 HydrophobicContact CB-CD2 4.18Å; F129-Y134 HydrophobicContact CB-CG 4.46Å; F129-Y134 HydrophobicContact CD2-CD2 4.13Å; F129-Y134 HydrophobicContact CG-CD2 4.32Å; C130-Y134 VanDerWaalsContact O-CB 3.3Å; C130-Y134 WeakPolarHBondContact O-CB 3.36Å; C130-Y134 PolarHBondContact O-N 2.94Å; Y134-R136 VanDerWaalsContact C-N 3.31Å; Y134-R136 PolarHBondContact O-N 3.27Å; Y134-R137 PolarHBondContact O-N 2.97Å; Y134-Y138 AromaticContact CD2-CD2 3.72Å; Y134-Y138 HydrophobicContact CD2-CD2 3.72Å; Y134-Y138 HydrophobicContact CD2-CE2 4.43Å; Y134-Y138 AromaticContact CE2-CD2 3.72Å; Y134-Y138 HydrophobicContact CE2-CD2 3.72Å; Y134-Y138 HydrophobicContact CE2-CG 4.34Å; Y134-Y138 HydrophobicContact CG-CD2 4.48Å; Y134-Y138 WeakPolarHBondContact O-CA 3.02Å; Y134-Y138 WeakPolarHBondContact O-CB 3.09Å; Y134-Y138 PolarHBondContact O-N 3.47Å
135F87.4Confident88.9Confident17 Ų1768.7 Ų68.78%0.07533%0.328CS..Hα-helixtrans-68-32.4176-74.3-67.2000111.8W3 Y122 K131 L132 R137 G139 W141W3-F135 HydrophobicContact CZ2-CE1 4.46Å; Y122-F135 HydrophobicContact CE1-CE2 4.29Å; Y122-F135 HydrophobicContact CE1-CZ 4.23Å; Y122-F135 HydrophobicContact CE2-CE2 4.38Å; Y122-F135 AromaticContact CZ-CE2 3.87Å; K131-F135 HydrophobicContact CG-CD2 3.83Å; K131-F135 HydrophobicContact CG-CE2 3.68Å; K131-F135 WeakPolarHBondContact O-CD2 3.41Å; K131-F135 PolarHBondContact O-N 3.16Å; K131-F135 VanDerWaalsContact O-N 3.15Å; L132-F135 PolarHBondContact O-N 3.47Å; F135-R137 VanDerWaalsContact C-N 3.33Å; F135-R137 PolarHBondContact O-N 3.17Å; F135-G139 WeakPolarHBondContact O-CA 2.94Å; F135-G139 PolarHBondContact O-N 3.39Å; F135-W141 VanDerWaalsContact O-CZ2 3.23Å; F135-W141 WeakPolarHBondContact O-CZ2 3.42Å
136R85.1Confident89Confident165 Ų16564 Ų6462%0.62332%0.32SS*.Hα-helixtrans-61.2-40.1175.1-170.5176.6-80.4-153.7-1.4112.5L132 D133 Y134 W141L132-R136 WeakPolarHBondContact O-CB 3.42Å; L132-R136 PolarHBondContact O-N 2.99Å; D133-R136 PolarHBondContact O-N 3.16Å; Y134-R136 VanDerWaalsContact C-N 3.31Å; Y134-R136 PolarHBondContact O-N 3.27Å; R136-W141 WeakPolarHBondContact O-CZ2 3.48Å
137R83.7Confident89.4Confident132 Ų13263 Ų6350%0.49831%0.31SS..Hα-helixtrans-91.8-36.7-177.2-71.3-171.3176.7-175.90.8114D133 Y134 F135D133-R137 PolarHBondContact O-N 3.25Å; Y134-R137 PolarHBondContact O-N 2.97Å; F135-R137 VanDerWaalsContact C-N 3.33Å; F135-R137 PolarHBondContact O-N 3.17Å
138Y86.8Confident89.5Confident67 Ų6760.5 Ų60.526%0.26330%0.299SS..Hα-helixtrans-126.42.3-169-50.2-64.7000113.7K124 F129 Y134K124-Y138 HydrophobicContact CD-CD1 3.92Å; K124-Y138 HydrophobicContact CD-CD2 3.84Å; K124-Y138 HydrophobicContact CD-CE1 3.91Å; K124-Y138 HydrophobicContact CD-CE2 3.88Å; K124-Y138 HydrophobicContact CD-CG 3.84Å; K124-Y138 VanDerWaalsContact NZ-CE1 3.29Å; F129-Y138 HydrophobicContact CD2-CE2 4.34Å; F129-Y138 HydrophobicContact CE1-CE2 4.19Å; F129-Y138 AromaticContact CE2-CE2 3.83Å; F129-Y138 HydrophobicContact CE2-CE2 3.83Å; F129-Y138 AromaticContact CZ-CE2 3.76Å; F129-Y138 HydrophobicContact CZ-CE2 3.76Å; Y134-Y138 AromaticContact CD2-CD2 3.72Å; Y134-Y138 HydrophobicContact CD2-CD2 3.72Å; Y134-Y138 HydrophobicContact CD2-CE2 4.43Å; Y134-Y138 AromaticContact CE2-CD2 3.72Å; Y134-Y138 HydrophobicContact CE2-CD2 3.72Å; Y134-Y138 HydrophobicContact CE2-CG 4.34Å; Y134-Y138 HydrophobicContact CG-CD2 4.48Å; Y134-Y138 WeakPolarHBondContact O-CA 3.02Å; Y134-Y138 WeakPolarHBondContact O-CB 3.09Å; Y134-Y138 PolarHBondContact O-N 3.47Å
139G86.9Confident89.5Confident13 Ų1360.7 Ų60.713%0.13430%0.3CS..  trans-66.1161.6175.700000112.5F135 W141F135-G139 WeakPolarHBondContact O-CA 2.94Å; F135-G139 PolarHBondContact O-N 3.39Å; G139-W141 PolarHBondContact O-NE1 3.27Å
140T89.9Confident89.3Confident41 Ų4165 Ų6525%0.25232%0.32SS..  trans-92.5131.4170.9-55.50000108.3N148 I149 V162T140-N148 PolarHBondContact O-OD1 3.47Å; T140-I149 HydrophobicContact CG2-CD1 4.15Å; T140-I149 WeakPolarHBondContact O-CB 3.43Å; T140-I149 PolarHBondContact O-N 3.27Å; T140-V162 HydrophobicContact CG2-CB 3.9Å; T140-V162 HydrophobicContact CG2-CG1 4.17Å; T140-V162 HydrophobicContact CG2-CG2 3.65Å
141W91.4Very high89Confident112 Ų11267.5 Ų67.542%0.42434%0.338SS..BIsolated β-bridgetrans-111.5141.1-174.8-5784.8000110.9F135 R136 G139 A143 G146 N148F135-W141 VanDerWaalsContact O-CZ2 3.23Å; F135-W141 WeakPolarHBondContact O-CZ2 3.42Å; R136-W141 WeakPolarHBondContact O-CZ2 3.48Å; G139-W141 PolarHBondContact O-NE1 3.27Å; W141-A143 PolarHBondContact O-N 2.88Å; W141-G146 VanDerWaalsContact CE3-O 3.25Å; W141-N148 HydrophobicContact CE3-CB 4.21Å; W141-N148 HydrophobicContact CH2-CB 4.49Å; W141-N148 HydrophobicContact CZ3-CB 4.13Å
142C92.9Very high89Confident1 Ų167.4 Ų67.41%0.00735%0.347CS..BIsolated β-bridgetrans-74.6118173.5174.50000109.9C144 C145 G146 R147 I149 V162 H164C142-C144 PolarHBondContact O-N 2.66Å; C142-C144 VanDerWaalsContact O-N 3.08Å; C142-C145 VanDerWaalsContact CB-SG 3.56Å; C142-C145 PolarHBondContact O-N 2.9Å; C142-G146 WeakPolarHBondContact O-CA 3.46Å; C142-G146 PolarHBondContact O-N 3.41Å; C142-R147 PolarHBondContact N-O 2.97Å; C142-I149 HydrophobicContact CB-CD1 4.1Å; C142-I149 HydrophobicContact CB-CG1 4.05Å; C142-V162 CarbonylContact C-O 3.6Å; C142-V162 VanDerWaalsContact CA-O 3.32Å; C142-V162 WeakPolarHBondContact CA-O 3.22Å; C142-H164 WeakPolarHBondContact CB-CE1 3.48Å; C142-H164 VanDerWaalsContact CB-ND1 3.31Å; C142-H164 WeakPolarHBondContact CB-ND1 3.36Å; C142-H164 PolarHBondContact SG-N 2.93Å; C142-H164 VanDerWaalsContact SG-N 3.44Å; C142-H164 PolarHBondContact SG-ND1 3.22Å; C142-H164 VanDerWaalsContact SG-ND1 3.38Å
143A91.6Very high89.3Confident53 Ų5364.3 Ų64.344%0.43833%0.331SS..THydrogen-bonded Turntrans-63.2-17.6-178.900000114.1W141 N161 V162 Y163W141-A143 PolarHBondContact O-N 2.88Å; A143-N161 HydrophobicContact CB-CB 3.94Å; A143-V162 PolarHBondContact N-O 3.03Å; A143-Y163 HydrophobicContact CB-CD1 4.23Å; A143-Y163 HydrophobicContact CB-CE1 3.64Å; A143-Y163 HydrophobicContact CB-CE2 4.45Å
144C90.8Very high89.4Confident72 Ų7273.3 Ų73.349%0.48636%0.364SS..THydrogen-bonded Turntrans-89.8-45.6176.1171.20000114.4C142 Y163 C167C142-C144 PolarHBondContact O-N 2.66Å; C142-C144 VanDerWaalsContact O-N 3.08Å; C144-Y163 HydrophobicContact CB-CD1 3.76Å; C144-Y163 HydrophobicContact CB-CE1 4.13Å; C144-C167 HydrophobicContact CB-CB 3.91Å
145C91.4Very high89.6Confident46 Ų4674.6 Ų74.631%0.31137%0.374SS..THydrogen-bonded Turntrans-107.6-4.2-17568.50000114.3C142 R147 H164C142-C145 VanDerWaalsContact CB-SG 3.56Å; C142-C145 PolarHBondContact O-N 2.9Å; C145-R147 PolarHBondContact O-N 3.46Å; C145-R147 VanDerWaalsContact O-N 3.07Å; C145-H164 PolarHBondContact SG-CE1 3.5Å; C145-H164 PolarHBondContact SG-ND1 3.15Å
146G88.9Confident89.9Confident50 Ų5075.7 Ų75.752%0.51538%0.378SS..  trans65.67.9-179.300000114.8W141 C142W141-G146 VanDerWaalsContact CE3-O 3.25Å; C142-G146 WeakPolarHBondContact O-CA 3.46Å; C142-G146 PolarHBondContact O-N 3.41Å
147R90.8Very high90.3Very high181 Ų18174.8 Ų74.868%0.68337%0.374SS*.PPolyproline II helixtrans-87.6149.6177.3-60-179.6-172152.81.5110.8C142 C145C142-R147 PolarHBondContact N-O 2.97Å; C145-R147 PolarHBondContact O-N 3.46Å; C145-R147 VanDerWaalsContact O-N 3.07Å
148N91.1Very high90.7Very high25 Ų2568.9 Ų68.913%0.13435%0.354CS..BIsolated β-bridgetrans-64.4138.8173.7179.578000110.4T140 W141T140-N148 PolarHBondContact O-OD1 3.47Å; W141-N148 HydrophobicContact CE3-CB 4.21Å; W141-N148 HydrophobicContact CH2-CB 4.49Å; W141-N148 HydrophobicContact CZ3-CB 4.13Å
149I91.4Very high90.7Very high10 Ų1074 Ų745%0.05138%0.377CS..PPolyproline II helixtrans-91.5124.4177.8-64.4-176.9000108.8T140 C142 D153 V155 V162T140-I149 HydrophobicContact CG2-CD1 4.15Å; T140-I149 WeakPolarHBondContact O-CB 3.43Å; T140-I149 PolarHBondContact O-N 3.27Å; C142-I149 HydrophobicContact CB-CD1 4.1Å; C142-I149 HydrophobicContact CB-CG1 4.05Å; I149-D153 HydrophobicContact CG2-CB 4.16Å; I149-V155 HydrophobicContact CD1-CG1 4.01Å; I149-V155 HydrophobicContact CG2-CG1 3.37Å; I149-V162 HydrophobicContact CD1-CB 3.74Å; I149-V162 HydrophobicContact CD1-CG1 3.29Å
150H87.3Confident90.7Very high91 Ų9177.1 Ų77.142%0.42141%0.41SS..PPolyproline II helixtrans-86160.6175.9-66.3-76.1000112.2T152 D153H150-T152 PolarHBondContact O-N 2.91Å; H150-D153 WeakPolarHBondContact CB-OD2 3.36Å; H150-D153 IonicContact CD2-OD2 3.33Å; H150-D153 IonicContact CG-OD2 3.85Å; H150-D153 PolarHBondContact N-OD2 3.21Å; H150-D153 WeakPolarHBondContact O-CB 3.4Å; H150-D153 PolarHBondContact O-N 3.06Å
151S85.1Confident90.8Very high66 Ų6678 Ų7846%0.46241%0.413SS..THydrogen-bonded Turntrans-63.7-20.7178.640.40000114.4
152T88.1Confident90.9Very high115 Ų11573.1 Ų73.171%0.70640%0.396SS*.THydrogen-bonded Turntrans-87.5-12.7176.7490000112.7H150H150-T152 PolarHBondContact O-N 2.91Å
153D93.1Very high91Very high55 Ų5573.2 Ų73.229%0.29440%0.396SS..SBendtrans-76.8134.5-174.9-67-24.5000110.9I149 H150 V155 H164I149-D153 HydrophobicContact CG2-CB 4.16Å; H150-D153 WeakPolarHBondContact CB-OD2 3.36Å; H150-D153 IonicContact CD2-OD2 3.33Å; H150-D153 IonicContact CG-OD2 3.85Å; H150-D153 PolarHBondContact N-OD2 3.21Å; H150-D153 WeakPolarHBondContact O-CB 3.4Å; H150-D153 PolarHBondContact O-N 3.06Å; D153-V155 HydrophobicContact CB-CG1 4.41Å; D153-V155 PolarHBondContact O-N 3.13Å; D153-H164 IonicContact OD2-CD2 3.84Å; D153-H164 IonicContact OD2-NE2 3.07Å
154W92.4Very high91.2Very high206 Ų20672 Ų7278%0.7838%0.381SS*.  trans-72.7126.6167.7-65.195.4000109.1L165W154-L165 HydrophobicContact CB-CB 3.78Å; W154-L165 HydrophobicContact CB-CD2 3.82Å; W154-L165 HydrophobicContact CB-CG 4.38Å; W154-L165 HydrophobicContact CG-CD2 4.4Å; W154-L165 WeakPolarHBondContact O-CB 3.37Å; W154-L165 PolarHBondContact O-N 3.06Å
155V94.9Very high91.3Very high49 Ų4971.6 Ų71.630%0.29737%0.373SS..EExtended strand (participates in β ladder)trans-127.1151.5-173.3-64.70000112.8I149 D153 V162 Y163I149-V155 HydrophobicContact CD1-CG1 4.01Å; I149-V155 HydrophobicContact CG2-CG1 3.37Å; D153-V155 HydrophobicContact CB-CG1 4.41Å; D153-V155 PolarHBondContact O-N 3.13Å; V155-V162 HydrophobicContact CB-CG1 3.94Å; V155-V162 HydrophobicContact CG1-CG1 4.15Å; V155-V162 HydrophobicContact CG2-CG1 4.4Å; V155-Y163 CarbonylContact C-O 3.57Å; V155-Y163 WeakPolarHBondContact CA-O 3.46Å; V155-Y163 WeakPolarHBondContact CB-O 3.37Å
156R94.2Very high91.4Very high40 Ų4072.8 Ų72.815%0.15139%0.387CS..EExtended strand (participates in β ladder)trans-112.1145.4165.7-67.9-128.3178.792.8-6.8109.9V162 Y163 L165 F168 L177R156-V162 WeakPolarHBondContact O-CA 3.41Å; R156-Y163 PolarHBondContact N-O 3.17Å; R156-Y163 PolarHBondContact O-N 3.13Å; R156-L165 HydrophobicContact CG-CD1 4.01Å; R156-F168 HydrophobicContact CB-CB 4.06Å; R156-F168 HydrophobicContact CB-CD2 3.63Å; R156-F168 HydrophobicContact CB-CE2 4.17Å; R156-F168 HydrophobicContact CB-CG 3.82Å; R156-F168 HydrophobicContact CG-CB 3.99Å; R156-F168 HydrophobicContact CG-CD1 4.38Å; R156-F168 HydrophobicContact CG-CD2 4.3Å; R156-F168 HydrophobicContact CG-CG 3.96Å; R156-L177 PolarHBondContact NH1-O 2.97Å; R156-L177 PolarHBondContact NH2-O 3.17Å
157R93.8Very high91.6Very high145 Ų14571.8 Ų71.855%0.54737%0.372SS..EExtended strand (participates in β ladder)trans-121130176.8-65.6-179.9-177.5-90.1-3.7109.2N161 V162R157-N161 WeakPolarHBondContact CA-O 3.37Å; R157-V162 HydrophobicContact CG-CG1 4.24Å; R157-V162 HydrophobicContact CG-CG2 4.33Å; R157-V162 VanDerWaalsContact NH1-CG2 3.27Å
158A91Very high91.9Very high9 Ų963.6 Ų63.67%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-147.1125178.700000110.2G160 N161 Y163 F168 F183A158-G160 VanDerWaalsContact C-N 3.26Å; A158-G160 PolarHBondContact O-N 3.26Å; A158-G160 VanDerWaalsContact O-N 3.17Å; A158-N161 PolarHBondContact N-O 3.32Å; A158-N161 WeakPolarHBondContact O-CB 3.35Å; A158-N161 PolarHBondContact O-N 3.13Å; A158-Y163 HydrophobicContact CB-CE2 4.33Å; A158-F168 HydrophobicContact CB-CE2 3.98Å; A158-F168 HydrophobicContact CB-CZ 4.39Å; A158-F183 HydrophobicContact CB-CE2 4.01Å; A158-F183 HydrophobicContact CB-CZ 3.9Å
159K88.3Confident92.1Very high173 Ų17363.4 Ų63.475%0.75234%0.343SS*.THydrogen-bonded Turntrans44.945.1179.1-61.3-171.1177.7176.90114.1N161 L185K159-N161 VanDerWaalsContact C-N 3.27Å; K159-N161 PolarHBondContact O-N 3.36Å; K159-L185 HydrophobicContact CB-CD2 3.81Å; K159-L185 HydrophobicContact CD-CB 4.27Å; K159-L185 HydrophobicContact CD-CD2 3.98Å; K159-L185 HydrophobicContact CG-CD2 4.15Å
160G87.2Confident92.3Very high79 Ų7963 Ų6381%0.81434%0.341SS*.THydrogen-bonded Turntrans84.6-14.1179.800000115.4A158A158-G160 VanDerWaalsContact C-N 3.26Å; A158-G160 PolarHBondContact O-N 3.26Å; A158-G160 VanDerWaalsContact O-N 3.17Å
161N91.8Very high92.6Very high59 Ų5959.5 Ų59.532%0.31633%0.325SS..EExtended strand (participates in β ladder)trans-88.9150.6175.8-68.7-19.3000111.8A143 R157 A158 K159 Y163A143-N161 HydrophobicContact CB-CB 3.94Å; R157-N161 WeakPolarHBondContact CA-O 3.37Å; A158-N161 PolarHBondContact N-O 3.32Å; A158-N161 WeakPolarHBondContact O-CB 3.35Å; A158-N161 PolarHBondContact O-N 3.13Å; K159-N161 VanDerWaalsContact C-N 3.27Å; K159-N161 PolarHBondContact O-N 3.36Å; N161-Y163 HydrophobicContact CB-CD2 4.38Å; N161-Y163 HydrophobicContact CB-CE2 3.44Å; N161-Y163 VanDerWaalsContact CB-CE2 3.44Å; N161-Y163 WeakPolarHBondContact CB-OH 3.45Å; N161-Y163 PolarHBondContact ND2-OH 3.37Å
162V93.7Very high93Very high11 Ų1158.6 Ų58.67%0.06732%0.318CS..EExtended strand (participates in β ladder)trans-115.3140.8175.8-162.80000109.2T140 C142 A143 I149 V155 R156 R157T140-V162 HydrophobicContact CG2-CB 3.9Å; T140-V162 HydrophobicContact CG2-CG1 4.17Å; T140-V162 HydrophobicContact CG2-CG2 3.65Å; C142-V162 CarbonylContact C-O 3.6Å; C142-V162 VanDerWaalsContact CA-O 3.32Å; C142-V162 WeakPolarHBondContact CA-O 3.22Å; A143-V162 PolarHBondContact N-O 3.03Å; I149-V162 HydrophobicContact CD1-CB 3.74Å; I149-V162 HydrophobicContact CD1-CG1 3.29Å; V155-V162 HydrophobicContact CB-CG1 3.94Å; V155-V162 HydrophobicContact CG1-CG1 4.15Å; V155-V162 HydrophobicContact CG2-CG1 4.4Å; R156-V162 WeakPolarHBondContact O-CA 3.41Å; R157-V162 HydrophobicContact CG-CG1 4.24Å; R157-V162 HydrophobicContact CG-CG2 4.33Å; R157-V162 VanDerWaalsContact NH1-CG2 3.27Å
163Y94.1Very high93.2Very high2 Ų255.7 Ų55.71%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-134.2145-178.8-58-95.6000108.9A143 C144 V155 R156 A158 N161 F168 L185 G188 V190A143-Y163 HydrophobicContact CB-CD1 4.23Å; A143-Y163 HydrophobicContact CB-CE1 3.64Å; A143-Y163 HydrophobicContact CB-CE2 4.45Å; C144-Y163 HydrophobicContact CB-CD1 3.76Å; C144-Y163 HydrophobicContact CB-CE1 4.13Å; V155-Y163 CarbonylContact C-O 3.57Å; V155-Y163 WeakPolarHBondContact CA-O 3.46Å; V155-Y163 WeakPolarHBondContact CB-O 3.37Å; R156-Y163 PolarHBondContact N-O 3.17Å; R156-Y163 PolarHBondContact O-N 3.13Å; A158-Y163 HydrophobicContact CB-CE2 4.33Å; N161-Y163 HydrophobicContact CB-CD2 4.38Å; N161-Y163 HydrophobicContact CB-CE2 3.44Å; N161-Y163 VanDerWaalsContact CB-CE2 3.44Å; N161-Y163 WeakPolarHBondContact CB-OH 3.45Å; N161-Y163 PolarHBondContact ND2-OH 3.37Å; Y163-F168 AromaticContact CD2-CD2 3.8Å; Y163-F168 HydrophobicContact CD2-CD2 3.8Å; Y163-F168 HydrophobicContact CD2-CE2 4.04Å; Y163-F168 HydrophobicContact CE2-CE2 4.4Å; Y163-F168 AromaticContact CG-CD2 3.82Å; Y163-F168 HydrophobicContact CG-CD2 3.82Å; Y163-F168 HydrophobicContact CG-CE2 4.48Å; Y163-L185 WeakPolarHBondContact OH-CD1 2.87Å; Y163-G188 PolarHBondContact OH-O 2.72Å; Y163-V190 HydrophobicContact CE1-CG2 4.17Å
164H95Very high93.3Very high29 Ų2958.3 Ų58.313%0.13431%0.311CS..EExtended strand (participates in β ladder)trans-61150.5162.3-58.5107.9000109.7C142 C145 D153 A166 C167 F168C142-H164 WeakPolarHBondContact CB-CE1 3.48Å; C142-H164 VanDerWaalsContact CB-ND1 3.31Å; C142-H164 WeakPolarHBondContact CB-ND1 3.36Å; C142-H164 PolarHBondContact SG-N 2.93Å; C142-H164 VanDerWaalsContact SG-N 3.44Å; C142-H164 PolarHBondContact SG-ND1 3.22Å; C142-H164 VanDerWaalsContact SG-ND1 3.38Å; C145-H164 PolarHBondContact SG-CE1 3.5Å; C145-H164 PolarHBondContact SG-ND1 3.15Å; D153-H164 IonicContact OD2-CD2 3.84Å; D153-H164 IonicContact OD2-NE2 3.07Å; H164-A166 VanDerWaalsContact C-N 3.25Å; H164-A166 PolarHBondContact O-N 2.81Å; H164-C167 HydrophobicContact CB-CB 3.91Å; H164-C167 CarbonylContact O-C 3.57Å; H164-C167 WeakPolarHBondContact O-CA 3.19Å; H164-C167 PolarHBondContact O-N 2.98Å; H164-F168 PolarHBondContact O-N 3.42Å
165L93.4Very high93.4Very high62 Ų6253.9 Ų53.933%0.32529%0.294SS..THydrogen-bonded Turntrans-54.2-44.2178.5-175.164.1000111.6W154 R156 F168 Q176W154-L165 HydrophobicContact CB-CB 3.78Å; W154-L165 HydrophobicContact CB-CD2 3.82Å; W154-L165 HydrophobicContact CB-CG 4.38Å; W154-L165 HydrophobicContact CG-CD2 4.4Å; W154-L165 WeakPolarHBondContact O-CB 3.37Å; W154-L165 PolarHBondContact O-N 3.06Å; R156-L165 HydrophobicContact CG-CD1 4.01Å; L165-F168 PolarHBondContact O-N 3.44Å; L165-Q176 PolarHBondContact O-NE2 3Å
166A93.1Very high93.4Very high72 Ų7255.6 Ų55.660%0.59530%0.299SS*.THydrogen-bonded Turntrans-71-29.8176.100000113.4H164 F168H164-A166 VanDerWaalsContact C-N 3.25Å; H164-A166 PolarHBondContact O-N 2.81Å; A166-F168 VanDerWaalsContact C-N 3.3Å
167C94.6Very high93.4Very high29 Ų2953.8 Ų53.820%0.19629%0.292CS..THydrogen-bonded Turntrans-80.2-12.6177.7-64.40000113C144 H164 A169C144-C167 HydrophobicContact CB-CB 3.91Å; H164-C167 HydrophobicContact CB-CB 3.91Å; H164-C167 CarbonylContact O-C 3.57Å; H164-C167 WeakPolarHBondContact O-CA 3.19Å; H164-C167 PolarHBondContact O-N 2.98Å; C167-A169 PolarHBondContact O-N 3.2Å
168F95.8Very high93.4Very high8 Ų850.6 Ų50.64%0.03529%0.292CS..  trans-79.770.7174.6-160-91.4000110.2R156 A158 Y163 H164 L165 A166 L177 F183 V190R156-F168 HydrophobicContact CB-CB 4.06Å; R156-F168 HydrophobicContact CB-CD2 3.63Å; R156-F168 HydrophobicContact CB-CE2 4.17Å; R156-F168 HydrophobicContact CB-CG 3.82Å; R156-F168 HydrophobicContact CG-CB 3.99Å; R156-F168 HydrophobicContact CG-CD1 4.38Å; R156-F168 HydrophobicContact CG-CD2 4.3Å; R156-F168 HydrophobicContact CG-CG 3.96Å; A158-F168 HydrophobicContact CB-CE2 3.98Å; A158-F168 HydrophobicContact CB-CZ 4.39Å; Y163-F168 AromaticContact CD2-CD2 3.8Å; Y163-F168 HydrophobicContact CD2-CD2 3.8Å; Y163-F168 HydrophobicContact CD2-CE2 4.04Å; Y163-F168 HydrophobicContact CE2-CE2 4.4Å; Y163-F168 AromaticContact CG-CD2 3.82Å; Y163-F168 HydrophobicContact CG-CD2 3.82Å; Y163-F168 HydrophobicContact CG-CE2 4.48Å; H164-F168 PolarHBondContact O-N 3.42Å; L165-F168 PolarHBondContact O-N 3.44Å; A166-F168 VanDerWaalsContact C-N 3.3Å; F168-L177 HydrophobicContact CD1-CB 4.07Å; F168-L177 HydrophobicContact CE1-CB 4.23Å; F168-L177 HydrophobicContact CE1-CD1 4.27Å; F168-L177 PolarHBondContact O-N 3.31Å; F168-F183 HydrophobicContact CE1-CD1 4.27Å; F168-F183 HydrophobicContact CE1-CD2 4.49Å; F168-F183 HydrophobicContact CE1-CE1 4.39Å; F168-F183 HydrophobicContact CE1-CG 4.33Å; F168-F183 HydrophobicContact CE2-CE2 4.43Å; F168-F183 HydrophobicContact CZ-CD1 4.16Å; F168-F183 AromaticContact CZ-CD2 3.91Å; F168-F183 HydrophobicContact CZ-CD2 3.91Å; F168-F183 AromaticContact CZ-CE1 3.94Å; F168-F183 HydrophobicContact CZ-CE1 3.94Å; F168-F183 AromaticContact CZ-CE2 3.69Å; F168-F183 HydrophobicContact CZ-CE2 3.69Å; F168-F183 HydrophobicContact CZ-CG 4.16Å; F168-F183 AromaticContact CZ-CZ 3.71Å; F168-F183 HydrophobicContact CZ-CZ 3.71Å; F168-V190 HydrophobicContact CD2-CG2 4.18Å; F168-V190 HydrophobicContact CE1-CG1 4.21Å; F168-V190 HydrophobicContact CE2-CG2 3.93Å; F168-V190 HydrophobicContact CZ-CG1 4.2Å; F168-V190 HydrophobicContact CZ-CG2 4.39Å
169A95.7Very high93.5Very high22 Ų2256.7 Ų56.718%0.18233%0.328CS..BIsolated β-bridgetrans-127.5151.8-175.300000110.9C167 F171 R175C167-A169 PolarHBondContact O-N 3.2Å; A169-F171 PolarHBondContact O-N 2.82Å; A169-R175 CarbonylContact C-O 3.5Å; A169-R175 VanDerWaalsContact CA-O 3.27Å; A169-R175 WeakPolarHBondContact CA-O 3.32Å; A169-R175 WeakPolarHBondContact CB-O 3.16Å
170C95.6Very high93.7Very high0 Ų052.2 Ų52.20%033%0.331CS..  trans-62.6128176.7175.10000110.4S172 C173 K174 R175 V190 C192 H195C170-S172 PolarHBondContact O-N 3.48Å; C170-C173 VanDerWaalsContact CB-SG 3.54Å; C170-C173 VanDerWaalsContact SG-SG 3.67Å; C170-K174 WeakPolarHBondContact O-CA 3.36Å; C170-K174 PolarHBondContact O-N 3.34Å; C170-R175 PolarHBondContact N-O 3.5Å; C170-V190 CarbonylContact C-O 3.58Å; C170-V190 WeakPolarHBondContact CA-O 3.46Å; C170-C192 HydrophobicContact CB-CB 4.05Å; C170-C192 PolarHBondContact SG-N 3.25Å; C170-H195 PolarHBondContact SG-ND1 3.22Å
171F93.6Very high94Very high19 Ų1951.9 Ų51.98%0.08331%0.308CS..THydrogen-bonded Turntrans-59-35.9-179.3-173.9-87.1000112.4A169 K174 K189 V190 L191 P220 E222 I225A169-F171 PolarHBondContact O-N 2.82Å; F171-K174 VanDerWaalsContact O-CE 3.31Å; F171-K174 WeakPolarHBondContact O-CE 3.44Å; F171-K174 PolarHBondContact O-NZ 3.02Å; F171-K189 HydrophobicContact CB-CB 4.23Å; F171-K189 HydrophobicContact CD1-CD 4.47Å; F171-K189 HydrophobicContact CD2-CB 4.25Å; F171-K189 HydrophobicContact CD2-CD 4.13Å; F171-K189 HydrophobicContact CD2-CG 3.93Å; F171-K189 HydrophobicContact CE2-CD 4.16Å; F171-K189 HydrophobicContact CE2-CG 4.24Å; F171-K189 HydrophobicContact CG-CB 4.26Å; F171-K189 HydrophobicContact CG-CD 4.27Å; F171-K189 HydrophobicContact CG-CG 4.3Å; F171-K189 HydrophobicContact CZ-CD 4.36Å; F171-V190 WeakPolarHBondContact CB-O 3.28Å; F171-V190 PolarHBondContact N-O 3.15Å; F171-L191 HydrophobicContact CB-CD2 4Å; F171-P220 HydrophobicContact CD1-CB 4.29Å; F171-P220 HydrophobicContact CE1-CB 3.99Å; F171-P220 WeakPolarHBondContact CE1-O 3.49Å; F171-P220 WeakPolarHBondContact CZ-O 3.32Å; F171-E222 HydrophobicContact CE2-CG 3.53Å; F171-E222 HydrophobicContact CZ-CB 4.32Å; F171-E222 HydrophobicContact CZ-CG 3.41Å; F171-E222 VanDerWaalsContact CZ-CG 3.41Å; F171-I225 HydrophobicContact CD1-CD1 4.37Å; F171-I225 HydrophobicContact CE1-CD1 3.58Å; F171-I225 HydrophobicContact CE2-CD1 4.35Å; F171-I225 HydrophobicContact CZ-CD1 3.61Å
172S92.8Very high94.1Very high47 Ų4754.9 Ų54.933%0.32932%0.32SS..THydrogen-bonded Turntrans-79.8-47-177.4-53.60000114.2C170 L191C170-S172 PolarHBondContact O-N 3.48Å; S172-L191 WeakPolarHBondContact OG-CD2 3.49Å
173C94.1Very high94.2Very high53 Ų5358.6 Ų58.636%0.35834%0.336SS..THydrogen-bonded Turntrans-105.3-1.5-17860.20000115.3C170 R175 H195C170-C173 VanDerWaalsContact CB-SG 3.54Å; C170-C173 VanDerWaalsContact SG-SG 3.67Å; C173-R175 PolarHBondContact O-N 3.33Å; C173-H195 WeakPolarHBondContact CB-CE1 3.49Å; C173-H195 PolarHBondContact SG-CE1 2.93Å; C173-H195 PolarHBondContact SG-ND1 2.87Å
174K93.3Very high94.2Very high110 Ų11059.1 Ų59.148%0.47834%0.341SS..  trans59.95.3-178-50.4-52.3-172.2-170.70115.1C170 F171 Q176C170-K174 WeakPolarHBondContact O-CA 3.36Å; C170-K174 PolarHBondContact O-N 3.34Å; F171-K174 VanDerWaalsContact O-CE 3.31Å; F171-K174 WeakPolarHBondContact O-CE 3.44Å; F171-K174 PolarHBondContact O-NZ 3.02Å; K174-Q176 PolarHBondContact O-N 2.95Å
175R95.4Very high94.1Very high113 Ų11358.9 Ų58.943%0.42634%0.341SS..PPolyproline II helixtrans-68.7126.7175.4-173.7173.864.579.8-13.9109.9A169 C170 C173 E181A169-R175 CarbonylContact C-O 3.5Å; A169-R175 VanDerWaalsContact CA-O 3.27Å; A169-R175 WeakPolarHBondContact CA-O 3.32Å; A169-R175 WeakPolarHBondContact CB-O 3.16Å; C170-R175 PolarHBondContact N-O 3.5Å; C173-R175 PolarHBondContact O-N 3.33Å; R175-E181 IonicContact CZ-OE1 3.53Å; R175-E181 IonicContact NH1-OE1 3.52Å; R175-E181 PolarHBondContact NH1-OE1 2.9Å; R175-E181 IonicContact NH1-OE2 3.7Å; R175-E181 PolarHBondContact NH1-OE2 3.4Å; R175-E181 IonicContact NH2-OE1 2.71Å; R175-E181 PolarHBondContact NH2-OE1 3.07Å
176Q95.2Very high94Very high86 Ų8656.5 Ų56.540%0.40233%0.329SS..BIsolated β-bridgetrans-63.5135.9171.3-168.1-179.6-6.900109.9L165 K174L165-Q176 PolarHBondContact O-NE2 3Å; K174-Q176 PolarHBondContact O-N 2.95Å
177L94Very high93.7Very high2 Ų257.7 Ų57.71%0.0132%0.322CS..PPolyproline II helixtrans-90.7148.3177.4-60174.3000110.3R156 F168 E181 F183 V190 C192R156-L177 PolarHBondContact NH1-O 2.97Å; R156-L177 PolarHBondContact NH2-O 3.17Å; F168-L177 HydrophobicContact CD1-CB 4.07Å; F168-L177 HydrophobicContact CE1-CB 4.23Å; F168-L177 HydrophobicContact CE1-CD1 4.27Å; F168-L177 PolarHBondContact O-N 3.31Å; L177-E181 WeakPolarHBondContact CA-OE2 3.48Å; L177-E181 VanDerWaalsContact CD2-OE2 3.3Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.33Å; L177-F183 HydrophobicContact CD1-CB 3.58Å; L177-F183 HydrophobicContact CD1-CG 4.43Å; L177-V190 HydrophobicContact CD1-CG1 3.57Å; L177-C192 HydrophobicContact CD2-CB 3.79Å
178S93.1Very high93.2Very high77 Ų7757.6 Ų57.654%0.53833%0.326SS..  trans-107.7166.4-179.7-74.40000112.3G180 E181S178-G180 PolarHBondContact O-N 3.16Å; S178-E181 PolarHBondContact N-OE2 2.88Å; S178-E181 PolarHBondContact O-N 3.11Å
179T93.2Very high92.9Very high137 Ų13759.3 Ų59.384%0.8433%0.333SS*.THydrogen-bonded Turntrans-61.4130.7173.9-55.10000109.5
180G92.4Very high92.8Very high79 Ų7958.6 Ų58.681%0.81433%0.327SS*.THydrogen-bonded Turntrans92.8-9.6-176.900000114.9S178S178-G180 PolarHBondContact O-N 3.16Å
181E94Very high92.8Very high72 Ų7258.6 Ų58.634%0.33633%0.327SS..  trans-80.2139.3172.2-69.5-168.8128.300112R175 L177 S178R175-E181 IonicContact CZ-OE1 3.53Å; R175-E181 IonicContact NH1-OE1 3.52Å; R175-E181 PolarHBondContact NH1-OE1 2.9Å; R175-E181 IonicContact NH1-OE2 3.7Å; R175-E181 PolarHBondContact NH1-OE2 3.4Å; R175-E181 IonicContact NH2-OE1 2.71Å; R175-E181 PolarHBondContact NH2-OE1 3.07Å; L177-E181 WeakPolarHBondContact CA-OE2 3.48Å; L177-E181 VanDerWaalsContact CD2-OE2 3.3Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.33Å; S178-E181 PolarHBondContact N-OE2 2.88Å; S178-E181 PolarHBondContact O-N 3.11Å
182E94.2Very high92.9Very high122 Ų12257.9 Ų57.957%0.5732%0.324SS*.  trans-76.1135.5173.5-62.9177.4133.800111.1R193E182-R193 PolarHBondContact O-N 3.31Å; E182-R193 WeakPolarHBondContact OE2-CD 3.49Å; E182-R193 IonicContact OE2-CZ 3.15Å; E182-R193 IonicContact OE2-NE 3.97Å; E182-R193 IonicContact OE2-NH1 3.89Å; E182-R193 PolarHBondContact OE2-NH1 3.38Å
183F95.3Very high93Very high89 Ų8962.5 Ų62.539%0.3933%0.334SS..EExtended strand (participates in β ladder)trans-142.4158.2-18076.8-86.1000111.2A158 F168 L177 L185 V190 L191A158-F183 HydrophobicContact CB-CE2 4.01Å; A158-F183 HydrophobicContact CB-CZ 3.9Å; F168-F183 HydrophobicContact CE1-CD1 4.27Å; F168-F183 HydrophobicContact CE1-CD2 4.49Å; F168-F183 HydrophobicContact CE1-CE1 4.39Å; F168-F183 HydrophobicContact CE1-CG 4.33Å; F168-F183 HydrophobicContact CE2-CE2 4.43Å; F168-F183 HydrophobicContact CZ-CD1 4.16Å; F168-F183 AromaticContact CZ-CD2 3.91Å; F168-F183 HydrophobicContact CZ-CD2 3.91Å; F168-F183 AromaticContact CZ-CE1 3.94Å; F168-F183 HydrophobicContact CZ-CE1 3.94Å; F168-F183 AromaticContact CZ-CE2 3.69Å; F168-F183 HydrophobicContact CZ-CE2 3.69Å; F168-F183 HydrophobicContact CZ-CG 4.16Å; F168-F183 AromaticContact CZ-CZ 3.71Å; F168-F183 HydrophobicContact CZ-CZ 3.71Å; L177-F183 HydrophobicContact CD1-CB 3.58Å; L177-F183 HydrophobicContact CD1-CG 4.43Å; F183-L185 HydrophobicContact CE2-CB 4.46Å; F183-V190 HydrophobicContact CB-CG1 4.5Å; F183-V190 HydrophobicContact CD2-CG1 4.18Å; F183-L191 CarbonylContact C-O 3.5Å; F183-L191 VanDerWaalsContact CA-O 3.3Å; F183-L191 WeakPolarHBondContact CA-O 3.31Å; F183-L191 WeakPolarHBondContact CB-O 3.42Å
184A94.3Very high93.1Very high14 Ų1465 Ų6512%0.11635%0.347CS..EExtended strand (participates in β ladder)trans-115145.6170.900000110.2V186 V190 L191 Y196A184-V186 HydrophobicContact CB-CG2 4.21Å; A184-V190 CarbonylContact O-C 3.55Å; A184-L191 PolarHBondContact N-O 3.05Å; A184-L191 PolarHBondContact O-N 3.15Å; A184-Y196 HydrophobicContact CB-CD1 4.01Å; A184-Y196 HydrophobicContact CB-CD2 3.15Å; A184-Y196 HydrophobicContact CB-CE1 4.34Å; A184-Y196 HydrophobicContact CB-CE2 3.56Å; A184-Y196 HydrophobicContact CB-CG 3.39Å
185L93.7Very high93.1Very high24 Ų2462.4 Ų62.413%0.12634%0.337CS..EExtended strand (participates in β ladder)trans-115.7117.2171.9-167.377.8000109K159 Y163 F183 K189 V190K159-L185 HydrophobicContact CB-CD2 3.81Å; K159-L185 HydrophobicContact CD-CB 4.27Å; K159-L185 HydrophobicContact CD-CD2 3.98Å; K159-L185 HydrophobicContact CG-CD2 4.15Å; Y163-L185 WeakPolarHBondContact OH-CD1 2.87Å; F183-L185 HydrophobicContact CE2-CB 4.46Å; L185-K189 WeakPolarHBondContact CA-O 3.49Å; L185-V190 HydrophobicContact CD1-CG2 3.63Å
186V91.1Very high93.1Very high12 Ų1260.9 Ų60.97%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-131.2110-168.4-176.60000106.6A184 G188 K189 L191 Y196 M199 M215 V219A184-V186 HydrophobicContact CB-CG2 4.21Å; V186-G188 PolarHBondContact O-N 3.39Å; V186-G188 VanDerWaalsContact O-N 3.16Å; V186-K189 PolarHBondContact N-O 3.4Å; V186-K189 WeakPolarHBondContact O-CA 3.37Å; V186-K189 WeakPolarHBondContact O-CB 3.32Å; V186-K189 PolarHBondContact O-N 2.89Å; V186-L191 HydrophobicContact CB-CD1 4.4Å; V186-L191 HydrophobicContact CG2-CD1 4.1Å; V186-Y196 HydrophobicContact CG2-CD2 3.99Å; V186-Y196 HydrophobicContact CG2-CE2 3.83Å; V186-M199 HydrophobicContact CB-CE 4.29Å; V186-M199 HydrophobicContact CG1-CE 3.81Å; V186-M199 HydrophobicContact CG2-CE 3.79Å; V186-M215 HydrophobicContact CB-CE 4.31Å; V186-M215 HydrophobicContact CG1-CE 3.15Å; V186-V219 HydrophobicContact CG1-CG2 3.64Å
187E86Confident93Very high96 Ų9660.2 Ų60.245%0.44933%0.331SS..THydrogen-bonded Turntrans50.239.3-173.7-70.2167.4179.400113.5K189 M215E187-K189 PolarHBondContact O-N 2.87Å; E187-M215 HydrophobicContact CG-CE 3.66Å; E187-M215 HydrophobicContact CG-SD 4.28Å
188G84.1Confident92.9Very high28 Ų2862.4 Ų62.429%0.28935%0.346SS..THydrogen-bonded Turntrans76.4-5.5-177.900000115.3Y163 V186Y163-G188 PolarHBondContact OH-O 2.72Å; V186-G188 PolarHBondContact O-N 3.39Å; V186-G188 VanDerWaalsContact O-N 3.16Å
189K90.3Very high92.8Very high43 Ų4359.4 Ų59.419%0.18732%0.324CS..EExtended strand (participates in β ladder)trans-87.1129.1173.5-62.6166.5178.8172.30110.4F171 L185 V186 E187 V219 P220F171-K189 HydrophobicContact CB-CB 4.23Å; F171-K189 HydrophobicContact CD1-CD 4.47Å; F171-K189 HydrophobicContact CD2-CB 4.25Å; F171-K189 HydrophobicContact CD2-CD 4.13Å; F171-K189 HydrophobicContact CD2-CG 3.93Å; F171-K189 HydrophobicContact CE2-CD 4.16Å; F171-K189 HydrophobicContact CE2-CG 4.24Å; F171-K189 HydrophobicContact CG-CB 4.26Å; F171-K189 HydrophobicContact CG-CD 4.27Å; F171-K189 HydrophobicContact CG-CG 4.3Å; F171-K189 HydrophobicContact CZ-CD 4.36Å; L185-K189 WeakPolarHBondContact CA-O 3.49Å; V186-K189 PolarHBondContact N-O 3.4Å; V186-K189 WeakPolarHBondContact O-CA 3.37Å; V186-K189 WeakPolarHBondContact O-CB 3.32Å; V186-K189 PolarHBondContact O-N 2.89Å; E187-K189 PolarHBondContact O-N 2.87Å; K189-V219 HydrophobicContact CD-CG1 3.46Å; K189-V219 VanDerWaalsContact CD-CG1 3.46Å; K189-P220 PolarHBondContact NZ-O 2.9Å
190V94.3Very high92.7Very high7 Ų756.7 Ų56.74%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-83.9130.1178.2178.20000109.1Y163 F168 C170 F171 L177 F183 A184 L185Y163-V190 HydrophobicContact CE1-CG2 4.17Å; F168-V190 HydrophobicContact CD2-CG2 4.18Å; F168-V190 HydrophobicContact CE1-CG1 4.21Å; F168-V190 HydrophobicContact CE2-CG2 3.93Å; F168-V190 HydrophobicContact CZ-CG1 4.2Å; F168-V190 HydrophobicContact CZ-CG2 4.39Å; C170-V190 CarbonylContact C-O 3.58Å; C170-V190 WeakPolarHBondContact CA-O 3.46Å; F171-V190 WeakPolarHBondContact CB-O 3.28Å; F171-V190 PolarHBondContact N-O 3.15Å; L177-V190 HydrophobicContact CD1-CG1 3.57Å; F183-V190 HydrophobicContact CB-CG1 4.5Å; F183-V190 HydrophobicContact CD2-CG1 4.18Å; A184-V190 CarbonylContact O-C 3.55Å; L185-V190 HydrophobicContact CD1-CG2 3.63Å
191L94.9Very high92.6Very high1 Ų157 Ų571%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-125.1138.9175.7-67.3174.3000110.3F171 S172 F183 A184 V186 H195 Y196 M199F171-L191 HydrophobicContact CB-CD2 4Å; S172-L191 WeakPolarHBondContact OG-CD2 3.49Å; F183-L191 CarbonylContact C-O 3.5Å; F183-L191 VanDerWaalsContact CA-O 3.3Å; F183-L191 WeakPolarHBondContact CA-O 3.31Å; F183-L191 WeakPolarHBondContact CB-O 3.42Å; A184-L191 PolarHBondContact N-O 3.05Å; A184-L191 PolarHBondContact O-N 3.15Å; V186-L191 HydrophobicContact CB-CD1 4.4Å; V186-L191 HydrophobicContact CG2-CD1 4.1Å; L191-H195 HydrophobicContact CD2-CB 4.35Å; L191-Y196 HydrophobicContact CD1-CD2 4.47Å; L191-M199 HydrophobicContact CD1-CE 3.54Å
192C95.9Very high92.3Very high4 Ų457.1 Ų57.13%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-72.6157.7168.873.60000109.9C170 L177 V194 H195 Y196C170-C192 HydrophobicContact CB-CB 4.05Å; C170-C192 PolarHBondContact SG-N 3.25Å; L177-C192 HydrophobicContact CD2-CB 3.79Å; C192-V194 VanDerWaalsContact C-N 3.3Å; C192-V194 PolarHBondContact O-N 2.85Å; C192-H195 PolarHBondContact O-N 2.93Å; C192-H195 PolarHBondContact SG-ND1 3.28Å; C192-Y196 PolarHBondContact O-N 2.82Å
193R94.9Very high92Very high144 Ų14453.9 Ų53.954%0.54328%0.276SS..Hα-helixtrans-45.2-50.6178.2178.5169.5171.5-179.9-2.4113.8E182 H195 Y196 D197E182-R193 PolarHBondContact O-N 3.31Å; E182-R193 WeakPolarHBondContact OE2-CD 3.49Å; E182-R193 IonicContact OE2-CZ 3.15Å; E182-R193 IonicContact OE2-NE 3.97Å; E182-R193 IonicContact OE2-NH1 3.89Å; E182-R193 PolarHBondContact OE2-NH1 3.38Å; R193-H195 VanDerWaalsContact C-N 3.34Å; R193-H195 PolarHBondContact O-N 3.16Å; R193-Y196 PolarHBondContact O-N 3.04Å; R193-Y196 VanDerWaalsContact O-N 3.15Å; R193-D197 IonicContact NE-OD2 3.21Å; R193-D197 VanDerWaalsContact O-CG 3.23Å; R193-D197 PolarHBondContact O-N 3.48Å
194V95.1Very high91.7Very high104 Ų10455.9 Ų55.963%0.6328%0.284SS*.Hα-helixtrans-57.8-43.4-179.2179.80000112.6C192 C198C192-V194 VanDerWaalsContact C-N 3.3Å; C192-V194 PolarHBondContact O-N 2.85Å; V194-C198 WeakPolarHBondContact O-CB 3.48Å; V194-C198 PolarHBondContact O-N 3.2Å; V194-C198 VanDerWaalsContact O-N 3.15Å
195H94.9Very high91.4Very high56 Ų5661.7 Ų61.726%0.25930%0.303SS..Hα-helixtrans-78.6-28.3179.9-69.1122000112.8C170 C173 L191 C192 R193 M199C170-H195 PolarHBondContact SG-ND1 3.22Å; C173-H195 WeakPolarHBondContact CB-CE1 3.49Å; C173-H195 PolarHBondContact SG-CE1 2.93Å; C173-H195 PolarHBondContact SG-ND1 2.87Å; L191-H195 HydrophobicContact CD2-CB 4.35Å; C192-H195 PolarHBondContact O-N 2.93Å; C192-H195 PolarHBondContact SG-ND1 3.28Å; R193-H195 VanDerWaalsContact C-N 3.34Å; R193-H195 PolarHBondContact O-N 3.16Å; H195-M199 WeakPolarHBondContact O-CB 3.41Å; H195-M199 PolarHBondContact O-N 3.35Å
196Y95Very high91Very high81 Ų8161.5 Ų61.532%0.31831%0.305SS..Hα-helixtrans-66.1-49172-177-108.6000111.3A184 V186 L191 C192 R193 C198 M199 L200A184-Y196 HydrophobicContact CB-CD1 4.01Å; A184-Y196 HydrophobicContact CB-CD2 3.15Å; A184-Y196 HydrophobicContact CB-CE1 4.34Å; A184-Y196 HydrophobicContact CB-CE2 3.56Å; A184-Y196 HydrophobicContact CB-CG 3.39Å; V186-Y196 HydrophobicContact CG2-CD2 3.99Å; V186-Y196 HydrophobicContact CG2-CE2 3.83Å; L191-Y196 HydrophobicContact CD1-CD2 4.47Å; C192-Y196 PolarHBondContact O-N 2.82Å; R193-Y196 PolarHBondContact O-N 3.04Å; R193-Y196 VanDerWaalsContact O-N 3.15Å; Y196-C198 VanDerWaalsContact C-N 3.32Å; Y196-C198 PolarHBondContact O-N 3.31Å; Y196-M199 HydrophobicContact CD2-CE 3.72Å; Y196-M199 HydrophobicContact CE2-CE 3.93Å; Y196-M199 WeakPolarHBondContact O-CB 3.45Å; Y196-M199 PolarHBondContact O-N 2.84Å; Y196-M199 VanDerWaalsContact O-N 3.11Å; Y196-L200 PolarHBondContact O-N 2.74Å
197D93.4Very high90.7Very high72 Ų7265.6 Ų65.639%0.38533%0.33SS..Hα-helixtrans-59.9-43.7178-64.3-14.9000110.9R193 M199 L200 D201R193-D197 IonicContact NE-OD2 3.21Å; R193-D197 VanDerWaalsContact O-CG 3.23Å; R193-D197 PolarHBondContact O-N 3.48Å; D197-M199 VanDerWaalsContact C-N 3.34Å; D197-M199 PolarHBondContact O-N 3.4Å; D197-L200 PolarHBondContact O-N 3.31Å; D197-D201 PolarHBondContact O-N 3.11Å
198C91.8Very high90.6Very high49 Ų4967.5 Ų67.533%0.33134%0.339SS..Hα-helixtrans-59.9-41.9175.3-177.50000112.6V194 Y196 D201 N202V194-C198 WeakPolarHBondContact O-CB 3.48Å; V194-C198 PolarHBondContact O-N 3.2Å; V194-C198 VanDerWaalsContact O-N 3.15Å; Y196-C198 VanDerWaalsContact C-N 3.32Å; Y196-C198 PolarHBondContact O-N 3.31Å; C198-D201 PolarHBondContact O-N 3.32Å; C198-N202 VanDerWaalsContact O-CG 3.27Å; C198-N202 PolarHBondContact O-N 2.78Å; C198-N202 PolarHBondContact O-ND2 2.92Å
199M90.8Very high90.5Very high14 Ų1474.8 Ų74.87%0.06936%0.363CS..Hα-helixtrans-64.8-42.3176.9-179.2-104.6-69.500111.1V186 L191 H195 Y196 D197 D201 N202 L203 A218 V219V186-M199 HydrophobicContact CB-CE 4.29Å; V186-M199 HydrophobicContact CG1-CE 3.81Å; V186-M199 HydrophobicContact CG2-CE 3.79Å; L191-M199 HydrophobicContact CD1-CE 3.54Å; H195-M199 WeakPolarHBondContact O-CB 3.41Å; H195-M199 PolarHBondContact O-N 3.35Å; Y196-M199 HydrophobicContact CD2-CE 3.72Å; Y196-M199 HydrophobicContact CE2-CE 3.93Å; Y196-M199 WeakPolarHBondContact O-CB 3.45Å; Y196-M199 PolarHBondContact O-N 2.84Å; Y196-M199 VanDerWaalsContact O-N 3.11Å; D197-M199 VanDerWaalsContact C-N 3.34Å; D197-M199 PolarHBondContact O-N 3.4Å; M199-D201 PolarHBondContact O-N 3.5Å; M199-N202 PolarHBondContact O-N 3.08Å; M199-L203 PolarHBondContact O-N 3.34Å; M199-A218 HydrophobicContact CG-CB 3.97Å; M199-A218 WeakPolarHBondContact CG-O 3.41Å; M199-A218 HydrophobicContact SD-CB 4.31Å; M199-V219 HydrophobicContact CE-CG2 4.44Å
200L90.6Very high89.6Confident80 Ų8076.1 Ų76.142%0.41939%0.389SS..Hα-helixtrans-63.3-41.7176.4-140.772.1000112.2Y196 D197 N202 L203 K204Y196-L200 PolarHBondContact O-N 2.74Å; D197-L200 PolarHBondContact O-N 3.31Å; L200-N202 VanDerWaalsContact C-N 3.34Å; L200-N202 PolarHBondContact O-N 3.39Å; L200-L203 PolarHBondContact O-N 2.92Å; L200-K204 WeakPolarHBondContact O-CB 3.36Å; L200-K204 PolarHBondContact O-N 2.71Å
201D90.6Very high88.4Confident86 Ų8681 Ų8146%0.4642%0.415SS..Hα-helixtrans-65.3-35.3175.8-79.6-21.7000113.1D197 C198 M199 R205D197-D201 PolarHBondContact O-N 3.11Å; C198-D201 PolarHBondContact O-N 3.32Å; M199-D201 PolarHBondContact O-N 3.5Å; D201-R205 WeakPolarHBondContact O-CB 3.27Å; D201-R205 WeakPolarHBondContact O-CG 3.3Å; D201-R205 PolarHBondContact O-N 2.83Å; D201-R205 PolarHBondContact O-NE 3.07Å; D201-R205 VanDerWaalsContact O-NE 3.13Å
202N87.6Confident86.5Confident74 Ų7486.9 Ų86.940%0.39646%0.456SS..Hα-helixtrans-69.3-41.9175.1-70.3-42.3000110.7C198 M199 L200 R205 A206C198-N202 VanDerWaalsContact O-CG 3.27Å; C198-N202 PolarHBondContact O-N 2.78Å; C198-N202 PolarHBondContact O-ND2 2.92Å; M199-N202 PolarHBondContact O-N 3.08Å; L200-N202 VanDerWaalsContact C-N 3.34Å; L200-N202 PolarHBondContact O-N 3.39Å; N202-R205 PolarHBondContact O-N 3.19Å; N202-A206 WeakPolarHBondContact O-CB 3.14Å; N202-A206 PolarHBondContact O-N 2.85Å
203L87.1Confident84.7Confident53 Ų5389.3 Ų89.328%0.27747%0.47SS..Hα-helixtrans-61.7-48.1176.2-178.556.4000111.2M199 L200 R205 A206 V207 V213M199-L203 PolarHBondContact O-N 3.34Å; L200-L203 PolarHBondContact O-N 2.92Å; L203-R205 VanDerWaalsContact C-N 3.35Å; L203-R205 PolarHBondContact O-N 3.17Å; L203-A206 PolarHBondContact O-N 2.96Å; L203-A206 VanDerWaalsContact O-N 3.13Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.84Å; L203-V213 HydrophobicContact CD1-CG2 3.4Å
204K88.8Confident83Confident131 Ų13188.9 Ų88.957%0.5748%0.479SS*.Hα-helixtrans-56.7-46.8177.3-172.2-179.7178.8-173.40112.1L200 A206 V207 E208L200-K204 WeakPolarHBondContact O-CB 3.36Å; L200-K204 PolarHBondContact O-N 2.71Å; K204-A206 VanDerWaalsContact C-N 3.31Å; K204-A206 PolarHBondContact O-N 2.88Å; K204-V207 PolarHBondContact O-N 3.43Å; K204-E208 WeakPolarHBondContact CE-OE1 3.35Å; K204-E208 WeakPolarHBondContact O-CG 3.18Å; K204-E208 PolarHBondContact O-N 3.24Å
205R88.9Confident81Confident136 Ų13687.8 Ų87.851%0.51347%0.468SS..Hα-helixtrans-65-31.7177.9-77.6-176.9-85.5-154.3-6.2113.6D201 N202 L203 K209D201-R205 WeakPolarHBondContact O-CB 3.27Å; D201-R205 WeakPolarHBondContact O-CG 3.3Å; D201-R205 PolarHBondContact O-N 2.83Å; D201-R205 PolarHBondContact O-NE 3.07Å; D201-R205 VanDerWaalsContact O-NE 3.13Å; N202-R205 PolarHBondContact O-N 3.19Å; L203-R205 VanDerWaalsContact C-N 3.35Å; L203-R205 PolarHBondContact O-N 3.17Å; R205-K209 PolarHBondContact O-N 2.88Å
206A84.4Confident79.3Confident20 Ų2091.9 Ų91.917%0.16549%0.487CS..Hα-helixtrans-71.2-40.4176.500000111.7N202 L203 K204 K209 G210 N211 V213N202-A206 WeakPolarHBondContact O-CB 3.14Å; N202-A206 PolarHBondContact O-N 2.85Å; L203-A206 PolarHBondContact O-N 2.96Å; L203-A206 VanDerWaalsContact O-N 3.13Å; K204-A206 VanDerWaalsContact C-N 3.31Å; K204-A206 PolarHBondContact O-N 2.88Å; A206-K209 PolarHBondContact O-N 3.24Å; A206-G210 PolarHBondContact O-N 3.42Å; A206-N211 PolarHBondContact O-N 3.36Å; A206-V213 HydrophobicContact CB-CB 4.31Å; A206-V213 HydrophobicContact CB-CG1 3.86Å; A206-V213 HydrophobicContact CB-CG2 3.42Å; A206-V213 VanDerWaalsContact CB-CG2 3.42Å
207V84.5Confident77.4Confident98 Ų9891.5 Ų91.559%0.59451%0.507SS*.Hα-helixtrans-62.5-45174.2175.20000111L203 K204 K209 G210L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.84Å; K204-V207 PolarHBondContact O-N 3.43Å; V207-K209 PolarHBondContact O-N 2.98Å; V207-G210 PolarHBondContact O-N 2.94Å
208E85.1Confident75.6Confident136 Ų13689.1 Ų89.164%0.63650%0.498SS*.Hα-helixtrans-61.6-26.8176.7-72.8172.6177.100113.2K204 G210K204-E208 WeakPolarHBondContact CE-OE1 3.35Å; K204-E208 WeakPolarHBondContact O-CG 3.18Å; K204-E208 PolarHBondContact O-N 3.24Å; E208-G210 VanDerWaalsContact C-N 3.3Å
209K80.7Confident73.9Confident181 Ų18187 Ų8779%0.78748%0.484SS*.THydrogen-bonded Turntrans-86.15.8176.1-81.7-176.3173.7-1740114.2R205 A206 V207 N211R205-K209 PolarHBondContact O-N 2.88Å; A206-K209 PolarHBondContact O-N 3.24Å; V207-K209 PolarHBondContact O-N 2.98Å; K209-N211 PolarHBondContact O-N 3.48Å
210G72.1Confident72.2Confident71 Ų7188.1 Ų88.173%0.73249%0.492SS*.THydrogen-bonded Turntrans70.816.6179.300000114A206 V207 E208A206-G210 PolarHBondContact O-N 3.42Å; V207-G210 PolarHBondContact O-N 2.94Å; E208-G210 VanDerWaalsContact C-N 3.3Å
211N68.8Low70.6Confident110 Ų11087.4 Ų87.459%0.58849%0.491SS*.  trans-96119179-139.453.8000108.8A206 K209 V213A206-N211 PolarHBondContact O-N 3.36Å; K209-N211 PolarHBondContact O-N 3.48Å; N211-V213 PolarHBondContact O-N 2.87Å
212S55.9Low68.8Low125 Ų12589.5 Ų89.587%0.87450%0.498SS*.  trans-72.592173.466.60000109.3
213V56.9Low66.9Low55 Ų5593.7 Ų93.733%0.33352%0.515SS..  trans-89.1124.1170.3-710000108.9L203 A206 N211L203-V213 HydrophobicContact CD1-CG2 3.4Å; A206-V213 HydrophobicContact CB-CB 4.31Å; A206-V213 HydrophobicContact CB-CG1 3.86Å; A206-V213 HydrophobicContact CB-CG2 3.42Å; A206-V213 VanDerWaalsContact CB-CG2 3.42Å; N211-V213 PolarHBondContact O-N 2.87Å
214N59.3Low65Low134 Ų13495.4 Ų95.472%0.71752%0.522SS*.  trans-79.5154.4169.5-144.6-5.8000109.2E216 G217N214-E216 PolarHBondContact O-N 3.36Å; N214-G217 PolarHBondContact O-N 2.91Å
215M54.7Low63.3Low82 Ų8292.8 Ų92.840%0.40451%0.513SS..G310 helixtrans-52.6-33.4-173-173.5-178.3164.400113.6V186 E187 G217 A218V186-M215 HydrophobicContact CB-CE 4.31Å; V186-M215 HydrophobicContact CG1-CE 3.15Å; E187-M215 HydrophobicContact CG-CE 3.66Å; E187-M215 HydrophobicContact CG-SD 4.28Å; M215-G217 VanDerWaalsContact C-N 3.26Å; M215-G217 PolarHBondContact O-N 3.44Å; M215-A218 PolarHBondContact O-N 3.38Å
216E58.1Low60.7Low142 Ų14293.4 Ų93.466%0.66453%0.526SS*.G310 helixtrans-62-25.9176.9-68.1-151.7107.900114.4N214N214-E216 PolarHBondContact O-N 3.36Å
217G56.1Low58.3Low72 Ų7299.2 Ų99.274%0.74255%0.55SS**G310 helixtrans-82.1-13.7179.400000114.5N214 M215N214-G217 PolarHBondContact O-N 2.91Å; M215-G217 VanDerWaalsContact C-N 3.26Å; M215-G217 PolarHBondContact O-N 3.44Å
218A55.4Low56Low23 Ų23100.6 Ų100.619%0.1956%0.561CS.*THydrogen-bonded Turntrans-97.1-21.2-178.200000112.7M199 M215M199-A218 HydrophobicContact CG-CB 3.97Å; M199-A218 WeakPolarHBondContact CG-O 3.41Å; M199-A218 HydrophobicContact SD-CB 4.31Å; M215-A218 PolarHBondContact O-N 3.38Å
219V55.3Low53.9Low4 Ų499.1 Ų99.12%0.02455%0.553CS.*SBendtrans-92.5126.4176.8-171.20000108.5V186 K189 M199 T221V186-V219 HydrophobicContact CG1-CG2 3.64Å; K189-V219 HydrophobicContact CD-CG1 3.46Å; K189-V219 VanDerWaalsContact CD-CG1 3.46Å; M199-V219 HydrophobicContact CE-CG2 4.44Å; V219-T221 PolarHBondContact O-N 3.44Å
220P55.8Low52Low37 Ų3796.4 Ų96.424%0.2455%0.554CS.*PPolyproline II helixtrans-54.7133.2175.6-21.831.9000109.9F171 K189F171-P220 HydrophobicContact CD1-CB 4.29Å; F171-P220 HydrophobicContact CE1-CB 3.99Å; F171-P220 WeakPolarHBondContact CE1-O 3.49Å; F171-P220 WeakPolarHBondContact CZ-O 3.32Å; K189-P220 PolarHBondContact NZ-O 2.9Å
221T55.9Low50.8Low65 Ų6597.6 Ų97.640%0.39955%0.551SS.*PPolyproline II helixtrans-85.7151.1176-35.10000109.2V219 Q223 E224V219-T221 PolarHBondContact O-N 3.44Å; T221-Q223 PolarHBondContact O-N 2.86Å; T221-Q223 VanDerWaalsContact O-N 3.13Å; T221-E224 PolarHBondContact O-N 3.03Å
222E52.7Low50.1Low130 Ų130101.2 Ų101.261%0.60756%0.561SS**G310 helixtrans-56.3-31-178.6-67.4-175.114900113F171 E224 I225F171-E222 HydrophobicContact CE2-CG 3.53Å; F171-E222 HydrophobicContact CZ-CB 4.32Å; F171-E222 HydrophobicContact CZ-CG 3.41Å; F171-E222 VanDerWaalsContact CZ-CG 3.41Å; E222-E224 VanDerWaalsContact C-N 3.29Å; E222-E224 PolarHBondContact O-N 3.33Å; E222-I225 PolarHBondContact O-N 2.97Å
223Q47.5Very low50Low162 Ų162106.7 Ų106.776%0.75756%0.563SS**G310 helixtrans-69.8-18.3178.4-75.6172.4-38.700114.6T221T221-Q223 PolarHBondContact O-N 2.86Å; T221-Q223 VanDerWaalsContact O-N 3.13Å
224E49Very low49.6Very low90 Ų90108 Ų10842%0.42158%0.58SS.*G310 helixtrans-91.1-1178.6-79.4-163.8118.100113.8T221 E222 K229T221-E224 PolarHBondContact O-N 3.03Å; E222-E224 VanDerWaalsContact C-N 3.29Å; E222-E224 PolarHBondContact O-N 3.33Å; E224-K229 WeakPolarHBondContact OE1-CE 3.46Å; E224-K229 IonicContact OE1-NZ 3.81Å; E224-K229 PolarHBondContact OE1-NZ 3.07Å; E224-K229 VanDerWaalsContact OE1-NZ 3.15Å; E224-K229 WeakPolarHBondContact OE2-CE 3.34Å; E224-K229 IonicContact OE2-NZ 4Å; E224-K229 PolarHBondContact OE2-NZ 2.82Å
225I52Low50Low75 Ų75112.7 Ų112.739%0.38559%0.587SS.*SBendtrans-86.6-22.8-179.9-66.8162.2000111.7F171 E222F171-I225 HydrophobicContact CD1-CD1 4.37Å; F171-I225 HydrophobicContact CE1-CD1 3.58Å; F171-I225 HydrophobicContact CE2-CD1 4.35Å; F171-I225 HydrophobicContact CZ-CD1 3.61Å; E222-I225 PolarHBondContact O-N 2.97Å
226N34.4Very low50.8Low149 Ų149112.8 Ų112.880%0.79759%0.593SS**SBendtrans-100.2-5.3-179.8-96.3-77.9000114.7
227Q34.7Very low51.8Low142 Ų142111.3 Ų111.366%0.66460%0.598SS**SBendtrans-91.7131.6164.4-73.9-171.257.100108.1K229Q227-K229 PolarHBondContact O-N 2.82Å
228P36.1Very low53.4Low128 Ų128110.4 Ų110.483%0.83157%0.574SS**  trans-62.191.2163.626.4-29.6000106.6
229K41.1Very low55.1Low105 Ų105112.9 Ų112.946%0.45759%0.587SS.*  trans-51.2135.6168.2-87.5176.7168.9170.60106.5E224 Q227 S231E224-K229 WeakPolarHBondContact OE1-CE 3.46Å; E224-K229 IonicContact OE1-NZ 3.81Å; E224-K229 PolarHBondContact OE1-NZ 3.07Å; E224-K229 VanDerWaalsContact OE1-NZ 3.15Å; E224-K229 WeakPolarHBondContact OE2-CE 3.34Å; E224-K229 IonicContact OE2-NZ 4Å; E224-K229 PolarHBondContact OE2-NZ 2.82Å; Q227-K229 PolarHBondContact O-N 2.82Å; K229-S231 PolarHBondContact O-N 3.28Å
230P40.6Very low56.8Low123 Ų123116.6 Ų116.680%0.79962%0.618SS**  trans-56112.5173.424.6-31000105.3K232P230-K232 PolarHBondContact O-N 3.21Å
231S46.6Very low58.5Low97 Ų97119.9 Ų119.968%0.67863%0.633SS**  trans-43.6124.1173.739.70000106.3K229 R233K229-S231 PolarHBondContact O-N 3.28Å; S231-R233 VanDerWaalsContact C-N 3.3Å; S231-R233 WeakPolarHBondContact O-CA 3.33Å; S231-R233 PolarHBondContact O-N 3.2Å
232K54.9Low60.3Low185 Ų185118.3 Ų118.380%0.80462%0.622SS**  trans-44.6108.9163.4-77.7176.7178.7174.30104P230 A234P230-K232 PolarHBondContact O-N 3.21Å; K232-A234 PolarHBondContact O-N 3.23Å
233R52.6Low62.3Low240 Ų240114.7 Ų114.791%0.90661%0.606SS**  trans-41.7119-163.8-89.1-178.2-171.3169.33.3108S231 R235S231-R233 VanDerWaalsContact C-N 3.3Å; S231-R233 WeakPolarHBondContact O-CA 3.33Å; S231-R233 PolarHBondContact O-N 3.2Å; R233-R235 PolarHBondContact O-N 3.21Å; R233-R235 VanDerWaalsContact O-N 3.15Å
234A49.1Very low64.5Low84 Ų84113.2 Ų113.269%0.69460%0.599SS**  trans-47.8128.8178.400000107.4K232 T236K232-A234 PolarHBondContact O-N 3.23Å; A234-T236 PolarHBondContact O-N 3.31Å
235R66.9Low66.7Low231 Ų231110.7 Ų110.787%0.87259%0.59SS**  trans-56.5121.5176.2-173.4177.9-166.7150.24.8106.4R233 S237R233-R235 PolarHBondContact O-N 3.21Å; R233-R235 VanDerWaalsContact O-N 3.15Å; R235-S237 PolarHBondContact O-N 3.36Å
236T70.9Confident68.7Low85 Ų85107.1 Ų107.152%0.52157%0.571SS.*  trans-59111.1179.2490000108.8A234A234-T236 PolarHBondContact O-N 3.31Å
237S79.4Confident71.6Confident110 Ų110105.4 Ų105.477%0.76956%0.559SS**PPolyproline II helixtrans-87.3129.2169.454.80000108.8R235R235-S237 PolarHBondContact O-N 3.36Å
238F90.2Very high74.4Confident53 Ų53101 Ų10123%0.23255%0.547CS..PPolyproline II helixtrans-87.5140.9176.7-55.7-66.3000109.9Q242 L243 M246 L270 V274 W278F238-Q242 HydrophobicContact CB-CB 4.45Å; F238-L243 HydrophobicContact CB-CD1 4.24Å; F238-L243 HydrophobicContact CB-CD2 3.71Å; F238-L243 HydrophobicContact CB-CG 3.65Å; F238-L243 HydrophobicContact CD2-CD2 4.01Å; F238-L243 HydrophobicContact CG-CD2 4.1Å; F238-M246 HydrophobicContact CB-CE 4.42Å; F238-M246 HydrophobicContact CD1-CE 3.94Å; F238-M246 HydrophobicContact CD2-CE 4.49Å; F238-M246 HydrophobicContact CE1-CE 4.33Å; F238-M246 HydrophobicContact CG-CE 4.01Å; F238-L270 HydrophobicContact CD1-CD1 3.53Å; F238-L270 HydrophobicContact CD1-CD2 4.04Å; F238-L270 HydrophobicContact CD1-CG 4.45Å; F238-L270 HydrophobicContact CE1-CD1 3.64Å; F238-L270 HydrophobicContact CE1-CD2 4.11Å; F238-L270 HydrophobicContact CE1-CG 4.49Å; F238-V274 HydrophobicContact CE1-CG1 3.4Å; F238-V274 VanDerWaalsContact CE1-CG1 3.4Å; F238-V274 HydrophobicContact CZ-CG1 3.61Å; F238-W278 AromaticContact CD2-CD1 3.92Å; F238-W278 AromaticContact CE2-CD1 3.53Å
239T91.8Very high77.2Confident75 Ų7596.9 Ų96.946%0.4652%0.517SS..PPolyproline II helixtrans-70.6162170.167.40000110.5D241 Q242 L243T239-D241 VanDerWaalsContact C-N 3.27Å; T239-D241 PolarHBondContact O-N 3.47Å; T239-Q242 PolarHBondContact O-N 3.4Å; T239-Q242 WeakPolarHBondContact OG1-CB 3.23Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.36Å; T239-Q242 PolarHBondContact OG1-N 2.95Å; T239-Q242 PolarHBondContact OG1-OE1 3.42Å; T239-L243 WeakPolarHBondContact O-CG 3.31Å; T239-L243 PolarHBondContact O-N 3.43Å
240A89.7Confident79.7Confident83 Ų8393.3 Ų93.369%0.68650%0.501SS*.Hα-helixtrans-58.1-41.8177.400000111.8L243 Q244A240-L243 PolarHBondContact O-N 3.13Å; A240-Q244 WeakPolarHBondContact O-CB 3.13Å; A240-Q244 PolarHBondContact O-N 2.81Å
241D92.5Very high82.2Confident105 Ų10591.5 Ų91.556%0.56150%0.496SS*.Hα-helixtrans-64.1-45.4177.4-17562.2000112.4T239 L243 Q244 V245T239-D241 VanDerWaalsContact C-N 3.27Å; T239-D241 PolarHBondContact O-N 3.47Å; D241-L243 VanDerWaalsContact C-N 3.3Å; D241-L243 PolarHBondContact O-N 2.92Å; D241-Q244 WeakPolarHBondContact O-CB 3.27Å; D241-Q244 PolarHBondContact O-N 3.37Å; D241-Q244 VanDerWaalsContact O-N 3.16Å; D241-V245 WeakPolarHBondContact O-CG2 3.3Å; D241-V245 PolarHBondContact O-N 3.19Å; D241-V245 VanDerWaalsContact O-N 3.07Å
242Q92.9Very high84.4Confident33 Ų3394.2 Ų94.215%0.15450%0.498CS..Hα-helixtrans-59.5-40.9175-73169.5-1500112.1F238 T239 M246 T268 L270F238-Q242 HydrophobicContact CB-CB 4.45Å; T239-Q242 PolarHBondContact O-N 3.4Å; T239-Q242 WeakPolarHBondContact OG1-CB 3.23Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.36Å; T239-Q242 PolarHBondContact OG1-N 2.95Å; T239-Q242 PolarHBondContact OG1-OE1 3.42Å; Q242-M246 WeakPolarHBondContact O-CE 3.33Å; Q242-M246 WeakPolarHBondContact O-CG 3.13Å; Q242-M246 PolarHBondContact O-N 3.09Å; Q242-T268 PolarHBondContact NE2-O 3.1Å; Q242-L270 HydrophobicContact CB-CD1 4.28Å; Q242-L270 HydrophobicContact CG-CD1 4.36Å
243L94.7Very high86.1Confident53 Ų5388.5 Ų88.528%0.27748%0.476SS..Hα-helixtrans-66.6-41.8176.2-71.4171.4000111.7F238 T239 A240 D241 V245 M246 Q247 W278F238-L243 HydrophobicContact CB-CD1 4.24Å; F238-L243 HydrophobicContact CB-CD2 3.71Å; F238-L243 HydrophobicContact CB-CG 3.65Å; F238-L243 HydrophobicContact CD2-CD2 4.01Å; F238-L243 HydrophobicContact CG-CD2 4.1Å; T239-L243 WeakPolarHBondContact O-CG 3.31Å; T239-L243 PolarHBondContact O-N 3.43Å; A240-L243 PolarHBondContact O-N 3.13Å; D241-L243 VanDerWaalsContact C-N 3.3Å; D241-L243 PolarHBondContact O-N 2.92Å; L243-V245 PolarHBondContact O-N 3.06Å; L243-M246 HydrophobicContact CD2-CE 3.98Å; L243-M246 PolarHBondContact O-N 2.9Å; L243-Q247 VanDerWaalsContact O-CB 3.28Å; L243-Q247 WeakPolarHBondContact O-CB 3.47Å; L243-Q247 WeakPolarHBondContact O-CG 3.39Å; L243-Q247 PolarHBondContact O-N 2.76Å; L243-W278 HydrophobicContact CD2-CZ2 4.4Å
244Q94.7Very high87.8Confident132 Ų13280 Ų8062%0.61745%0.449SS*.Hα-helixtrans-59.8-46.1179.3-177.6174.3-10.100111.6A240 D241 Q247 A248A240-Q244 WeakPolarHBondContact O-CB 3.13Å; A240-Q244 PolarHBondContact O-N 2.81Å; D241-Q244 WeakPolarHBondContact O-CB 3.27Å; D241-Q244 PolarHBondContact O-N 3.37Å; D241-Q244 VanDerWaalsContact O-N 3.16Å; Q244-Q247 PolarHBondContact O-N 2.76Å; Q244-A248 VanDerWaalsContact O-CB 3.32Å; Q244-A248 WeakPolarHBondContact O-CB 3.46Å; Q244-A248 PolarHBondContact O-N 3.43Å
245V94.4Very high89.9Confident36 Ų3681.2 Ų81.222%0.21844%0.444CS..Hα-helixtrans-62.2-46.2177.1176.20000111.4D241 L243 A248 Q249 L264 Q267 T268D241-V245 WeakPolarHBondContact O-CG2 3.3Å; D241-V245 PolarHBondContact O-N 3.19Å; D241-V245 VanDerWaalsContact O-N 3.07Å; L243-V245 PolarHBondContact O-N 3.06Å; V245-A248 PolarHBondContact O-N 3.15Å; V245-Q249 PolarHBondContact O-N 2.8Å; V245-Q249 VanDerWaalsContact O-N 3.17Å; V245-L264 HydrophobicContact CG1-CD2 3.78Å; V245-Q267 HydrophobicContact CG1-CB 4.45Å; V245-T268 HydrophobicContact CB-CG2 4.04Å; V245-T268 HydrophobicContact CG1-CG2 3.92Å
246M94.9Very high91Very high0 Ų070.7 Ų70.70%041%0.406CS..Hα-helixtrans-66.8-37.4179-69.8-173.1-66.600112.6F238 Q242 L243 F250 T268 L270 I275 W278F238-M246 HydrophobicContact CB-CE 4.42Å; F238-M246 HydrophobicContact CD1-CE 3.94Å; F238-M246 HydrophobicContact CD2-CE 4.49Å; F238-M246 HydrophobicContact CE1-CE 4.33Å; F238-M246 HydrophobicContact CG-CE 4.01Å; Q242-M246 WeakPolarHBondContact O-CE 3.33Å; Q242-M246 WeakPolarHBondContact O-CG 3.13Å; Q242-M246 PolarHBondContact O-N 3.09Å; L243-M246 HydrophobicContact CD2-CE 3.98Å; L243-M246 PolarHBondContact O-N 2.9Å; M246-F250 WeakPolarHBondContact O-CB 3.35Å; M246-F250 PolarHBondContact O-N 3.36Å; M246-T268 HydrophobicContact CG-CG2 4.33Å; M246-L270 HydrophobicContact CE-CD1 4.02Å; M246-L270 HydrophobicContact SD-CD1 4.05Å; M246-I275 HydrophobicContact SD-CG1 4.3Å; M246-I275 HydrophobicContact SD-CG2 4.38Å; M246-W278 HydrophobicContact CB-CD2 4.21Å; M246-W278 HydrophobicContact CB-CE3 3.96Å; M246-W278 HydrophobicContact CB-CH2 3.76Å; M246-W278 HydrophobicContact CB-CZ2 3.99Å; M246-W278 HydrophobicContact CB-CZ3 3.75Å; M246-W278 HydrophobicContact CE-CD2 4.15Å; M246-W278 HydrophobicContact CE-CG 4.09Å; M246-W278 HydrophobicContact SD-CB 4.24Å; M246-W278 HydrophobicContact SD-CD2 3.89Å; M246-W278 HydrophobicContact SD-CE3 4.22Å; M246-W278 HydrophobicContact SD-CG 3.89Å
247Q94.4Very high92.1Very high113 Ų11370.4 Ų70.453%0.52840%0.401SS..Hα-helixtrans-69.5-41.7176.9-74.7172.8-12.500112.3L243 Q244 Q249 F250 A251 W278L243-Q247 VanDerWaalsContact O-CB 3.28Å; L243-Q247 WeakPolarHBondContact O-CB 3.47Å; L243-Q247 WeakPolarHBondContact O-CG 3.39Å; L243-Q247 PolarHBondContact O-N 2.76Å; Q244-Q247 PolarHBondContact O-N 2.76Å; Q247-Q249 VanDerWaalsContact C-N 3.29Å; Q247-Q249 PolarHBondContact O-N 2.95Å; Q247-F250 PolarHBondContact O-N 2.82Å; Q247-F250 VanDerWaalsContact O-N 3.16Å; Q247-A251 PolarHBondContact O-N 2.85Å; Q247-W278 HydrophobicContact CG-CH2 3.92Å; Q247-W278 HydrophobicContact CG-CZ2 3.93Å
248A94.3Very high92.7Very high51 Ų5167.5 Ų67.542%0.42138%0.384SS..Hα-helixtrans-60.4-40.6176.100000111.6Q244 V245 Q252Q244-A248 VanDerWaalsContact O-CB 3.32Å; Q244-A248 WeakPolarHBondContact O-CB 3.46Å; Q244-A248 PolarHBondContact O-N 3.43Å; V245-A248 PolarHBondContact O-N 3.15Å; A248-Q252 PolarHBondContact O-NE2 2.79Å
249Q94.8Very high92.9Very high41 Ų4172.5 Ų72.519%0.19241%0.408CS..Hα-helixtrans-68.3-42.8173.1-171.769-105.900111.7V245 Q247 A251 Q252 D253 T260 L264 F279V245-Q249 PolarHBondContact O-N 2.8Å; V245-Q249 VanDerWaalsContact O-N 3.17Å; Q247-Q249 VanDerWaalsContact C-N 3.29Å; Q247-Q249 PolarHBondContact O-N 2.95Å; Q249-A251 PolarHBondContact O-N 3.27Å; Q249-Q252 PolarHBondContact O-N 2.96Å; Q249-D253 PolarHBondContact O-N 2.65Å; Q249-T260 HydrophobicContact CG-CG2 4.02Å; Q249-L264 HydrophobicContact CB-CD1 4.28Å; Q249-L264 HydrophobicContact CB-CD2 4.05Å; Q249-L264 HydrophobicContact CG-CD1 3.99Å; Q249-L264 HydrophobicContact CG-CD2 4.3Å; Q249-L264 HydrophobicContact CG-CG 4.47Å; Q249-F279 HydrophobicContact CB-CZ 4.14Å; Q249-F279 HydrophobicContact CG-CZ 4.12Å
250F94.3Very high92.9Very high29 Ų2970.6 Ų70.613%0.12740%0.396CS..Hα-helixtrans-59.6-33.9178.7-171.5-92.2000113.3M246 Q247 Q252 D253 N254 W278 F279 C282 R283M246-F250 WeakPolarHBondContact O-CB 3.35Å; M246-F250 PolarHBondContact O-N 3.36Å; Q247-F250 PolarHBondContact O-N 2.82Å; Q247-F250 VanDerWaalsContact O-N 3.16Å; F250-Q252 VanDerWaalsContact C-N 3.28Å; F250-Q252 PolarHBondContact O-N 2.88Å; F250-D253 WeakPolarHBondContact CA-O 3.38Å; F250-D253 CarbonylContact O-C 3.53Å; F250-N254 WeakPolarHBondContact CE1-OD1 3.47Å; F250-N254 HydrophobicContact CE2-CB 4.36Å; F250-N254 HydrophobicContact CZ-CB 4.47Å; F250-N254 WeakPolarHBondContact CZ-OD1 3.49Å; F250-N254 PolarHBondContact O-ND2 3.44Å; F250-W278 HydrophobicContact CB-CH2 4.28Å; F250-W278 HydrophobicContact CB-CZ3 4.12Å; F250-W278 HydrophobicContact CD2-CZ3 4.18Å; F250-W278 HydrophobicContact CG-CZ3 4.39Å; F250-F279 HydrophobicContact CB-CE1 3.91Å; F250-F279 HydrophobicContact CB-CZ 4.4Å; F250-F279 AromaticContact CD2-CD1 3.6Å; F250-F279 HydrophobicContact CD2-CD1 3.6Å; F250-F279 AromaticContact CD2-CE1 3.73Å; F250-F279 HydrophobicContact CD2-CE1 3.73Å; F250-F279 HydrophobicContact CE2-CD1 4.32Å; F250-F279 HydrophobicContact CG-CE1 4.32Å; F250-C282 HydrophobicContact CD2-CB 4.09Å; F250-C282 HydrophobicContact CE2-CB 3.65Å; F250-C282 HydrophobicContact CZ-CB 3.98Å; F250-R283 HydrophobicContact CE2-CG 3.8Å; F250-R283 HydrophobicContact CZ-CG 4.15Å
251A92.1Very high93.1Very high85 Ų8567.3 Ų67.370%0.70237%0.367SS*.Hα-helixtrans-67.1-27.917500000113Q247 Q249Q247-A251 PolarHBondContact O-N 2.85Å; Q249-A251 PolarHBondContact O-N 3.27Å
252Q92.3Very high93.2Very high155 Ų15566 Ų6672%0.72436%0.357SS*.Hα-helixtrans-88.5-48.5178.5-64.7173.938.700111.4A248 Q249 F250A248-Q252 PolarHBondContact O-NE2 2.79Å; Q249-Q252 PolarHBondContact O-N 2.96Å; F250-Q252 VanDerWaalsContact C-N 3.28Å; F250-Q252 PolarHBondContact O-N 2.88Å
253D90.3Very high93.3Very high64 Ų6470.3 Ų70.334%0.34238%0.376SS..  trans-138.6119.8178.4-175.17.1000110.8Q249 F250 N255 P256Q249-D253 PolarHBondContact O-N 2.65Å; F250-D253 WeakPolarHBondContact CA-O 3.38Å; F250-D253 CarbonylContact O-C 3.53Å; D253-N255 VanDerWaalsContact C-N 3.3Å; D253-N255 WeakPolarHBondContact OD1-CA 3.3Å; D253-N255 PolarHBondContact OD1-N 3.05Å; D253-P256 VanDerWaalsContact OD2-CA 3.26Å; D253-P256 WeakPolarHBondContact OD2-CA 3.43Å
254N89.6Confident93.3Very high62 Ų6267.9 Ų67.933%0.33236%0.363SS..SBendtrans-79.4-16.5178.8-72.8-104.9000111.9F250 R283F250-N254 WeakPolarHBondContact CE1-OD1 3.47Å; F250-N254 HydrophobicContact CE2-CB 4.36Å; F250-N254 HydrophobicContact CZ-CB 4.47Å; F250-N254 WeakPolarHBondContact CZ-OD1 3.49Å; F250-N254 PolarHBondContact O-ND2 3.44Å; N254-R283 VanDerWaalsContact O-CD 3.29Å; N254-R283 WeakPolarHBondContact O-CD 3.28Å; N254-R283 PolarHBondContact O-NH1 3.14Å
255N91.9Very high93.3Very high110 Ų11062.2 Ų62.259%0.58834%0.338SS*.SBendtrans-132.364.7-178.9-168.249.3000112.3D253D253-N255 VanDerWaalsContact C-N 3.3Å; D253-N255 WeakPolarHBondContact OD1-CA 3.3Å; D253-N255 PolarHBondContact OD1-N 3.05Å
256P90.3Very high93.3Very high10 Ų1067 Ų677%0.06536%0.359CS..  trans-58.6139.8-178.626.1-36.2000111.9D253 T260 L261 F279D253-P256 VanDerWaalsContact OD2-CA 3.26Å; D253-P256 WeakPolarHBondContact OD2-CA 3.43Å; P256-T260 HydrophobicContact CB-CG2 3.67Å; P256-L261 HydrophobicContact CB-CD2 4.43Å; P256-L261 HydrophobicContact CB-CG 4.37Å; P256-L261 HydrophobicContact CG-CD2 3.85Å; P256-L261 HydrophobicContact CG-CG 4.23Å; P256-F279 VanDerWaalsContact CD-CD1 3.45Å; P256-F279 HydrophobicContact CG-CD1 3.61Å; P256-F279 HydrophobicContact CG-CD2 4.26Å; P256-F279 HydrophobicContact CG-CE1 3.56Å; P256-F279 HydrophobicContact CG-CE2 4.23Å; P256-F279 HydrophobicContact CG-CG 3.99Å; P256-F279 HydrophobicContact CG-CZ 3.9Å
257D93.7Very high93.2Very high78 Ų7872.3 Ų72.342%0.41738%0.383SS..  trans-73.4179.6179.284.9-51.4000112.5Q259 T260 L261D257-Q259 VanDerWaalsContact C-N 3.31Å; D257-Q259 PolarHBondContact O-N 3.01Å; D257-Q259 WeakPolarHBondContact OD2-CB 3.14Å; D257-Q259 PolarHBondContact OD2-N 3.38Å; D257-T260 PolarHBondContact O-N 2.8Å; D257-T260 WeakPolarHBondContact OD1-CB 3.48Å; D257-T260 PolarHBondContact OD1-N 2.78Å; D257-T260 PolarHBondContact OD1-OG1 2.83Å; D257-L261 WeakPolarHBondContact O-CB 3.46Å; D257-L261 VanDerWaalsContact O-CG 3.3Å; D257-L261 WeakPolarHBondContact O-CG 3.21Å; D257-L261 PolarHBondContact O-N 3.24Å
258A92.9Very high93.1Very high50 Ų5067.4 Ų67.441%0.41336%0.361SS..Hα-helixtrans-58-39.618000000113.6Q262A258-Q262 PolarHBondContact O-N 3.42Å
259Q94.8Very high93Very high157 Ų15768.3 Ų68.373%0.73438%0.375SS*.Hα-helixtrans-74.4-41.9-178.5-63.3-167.812.700111.2D257 L261 Q262 K263D257-Q259 VanDerWaalsContact C-N 3.31Å; D257-Q259 PolarHBondContact O-N 3.01Å; D257-Q259 WeakPolarHBondContact OD2-CB 3.14Å; D257-Q259 PolarHBondContact OD2-N 3.38Å; Q259-L261 VanDerWaalsContact C-N 3.34Å; Q259-L261 PolarHBondContact O-N 3.48Å; Q259-Q262 WeakPolarHBondContact O-CB 3.34Å; Q259-Q262 PolarHBondContact O-N 3.14Å; Q259-Q262 VanDerWaalsContact O-N 3.12Å; Q259-K263 PolarHBondContact O-N 3.09Å
260T92.2Very high92.9Very high36 Ų3667.6 Ų67.622%0.22137%0.372CS..Hα-helixtrans-63.5-40.7177.6-57.30000111.6Q249 P256 D257 Q262 K263 L264Q249-T260 HydrophobicContact CG-CG2 4.02Å; P256-T260 HydrophobicContact CB-CG2 3.67Å; D257-T260 PolarHBondContact O-N 2.8Å; D257-T260 WeakPolarHBondContact OD1-CB 3.48Å; D257-T260 PolarHBondContact OD1-N 2.78Å; D257-T260 PolarHBondContact OD1-OG1 2.83Å; T260-Q262 VanDerWaalsContact C-N 3.28Å; T260-Q262 PolarHBondContact O-N 3.39Å; T260-K263 PolarHBondContact O-N 2.89Å; T260-L264 WeakPolarHBondContact O-CG 3.45Å; T260-L264 PolarHBondContact O-N 3.25Å
261L94.1Very high92.9Very high14 Ų1469.4 Ų69.47%0.07339%0.389CS..Hα-helixtrans-62.8-34174-72.9174.2000113P256 D257 Q259 A265 R272 I275 F279P256-L261 HydrophobicContact CB-CD2 4.43Å; P256-L261 HydrophobicContact CB-CG 4.37Å; P256-L261 HydrophobicContact CG-CD2 3.85Å; P256-L261 HydrophobicContact CG-CG 4.23Å; D257-L261 WeakPolarHBondContact O-CB 3.46Å; D257-L261 VanDerWaalsContact O-CG 3.3Å; D257-L261 WeakPolarHBondContact O-CG 3.21Å; D257-L261 PolarHBondContact O-N 3.24Å; Q259-L261 VanDerWaalsContact C-N 3.34Å; Q259-L261 PolarHBondContact O-N 3.48Å; L261-A265 PolarHBondContact O-N 3.01Å; L261-A265 VanDerWaalsContact O-N 3.1Å; L261-R272 HydrophobicContact CB-CG 4.04Å; L261-I275 HydrophobicContact CD2-CG2 3.75Å; L261-F279 HydrophobicContact CD2-CD2 4.4Å
262Q94.4Very high92.9Very high77 Ų7770.3 Ų70.336%0.3637%0.374SS..Hα-helixtrans-68.8-45.7176-175.26136.500111.1A258 Q259 T260 L264 A265 E266A258-Q262 PolarHBondContact O-N 3.42Å; Q259-Q262 WeakPolarHBondContact O-CB 3.34Å; Q259-Q262 PolarHBondContact O-N 3.14Å; Q259-Q262 VanDerWaalsContact O-N 3.12Å; T260-Q262 VanDerWaalsContact C-N 3.28Å; T260-Q262 PolarHBondContact O-N 3.39Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 PolarHBondContact O-N 3.47Å; Q262-A265 WeakPolarHBondContact O-CB 3.2Å; Q262-A265 PolarHBondContact O-N 2.87Å; Q262-A265 VanDerWaalsContact O-N 3.08Å; Q262-E266 PolarHBondContact NE2-OE1 3.47Å; Q262-E266 PolarHBondContact O-N 3.18Å; Q262-E266 VanDerWaalsContact O-N 3.08Å
263K93.6Very high92.9Very high124 Ų12472 Ų7254%0.53937%0.374SS..Hα-helixtrans-59.3-41.3175.3-173.7178.8179.9-179.90112.2Q259 T260 A265 E266 Q267Q259-K263 PolarHBondContact O-N 3.09Å; T260-K263 PolarHBondContact O-N 2.89Å; K263-A265 VanDerWaalsContact C-N 3.33Å; K263-A265 PolarHBondContact O-N 3.04Å; K263-E266 PolarHBondContact O-N 3.46Å; K263-Q267 WeakPolarHBondContact O-CG 3.06Å; K263-Q267 PolarHBondContact O-N 3.47Å
264L94.4Very high93.1Very high2 Ų270.5 Ų70.51%0.0137%0.367CS..Hα-helixtrans-65.6-35.3175-71.5176.9000112.6V245 Q249 T260 Q262 E266 Q267 T268 I275 F279V245-L264 HydrophobicContact CG1-CD2 3.78Å; Q249-L264 HydrophobicContact CB-CD1 4.28Å; Q249-L264 HydrophobicContact CB-CD2 4.05Å; Q249-L264 HydrophobicContact CG-CD1 3.99Å; Q249-L264 HydrophobicContact CG-CD2 4.3Å; Q249-L264 HydrophobicContact CG-CG 4.47Å; T260-L264 WeakPolarHBondContact O-CG 3.45Å; T260-L264 PolarHBondContact O-N 3.25Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 PolarHBondContact O-N 3.47Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-Q267 PolarHBondContact O-N 3.1Å; L264-T268 WeakPolarHBondContact O-CB 3.48Å; L264-T268 WeakPolarHBondContact O-CG2 3.34Å; L264-T268 PolarHBondContact O-N 3.21Å; L264-T268 PolarHBondContact O-OG1 2.98Å; L264-I275 HydrophobicContact CB-CD1 3.89Å; L264-I275 HydrophobicContact CB-CG2 4.26Å; L264-I275 HydrophobicContact CD1-CG2 3.91Å; L264-F279 HydrophobicContact CD1-CE2 3.64Å; L264-F279 HydrophobicContact CD1-CZ 3.86Å
265A95.2Very high93.2Very high12 Ų1267.6 Ų67.610%0.09935%0.351CS..Hα-helixtrans-63.6-42.6176.400000111.5L261 Q262 K263 G269 L270 R272 I275L261-A265 PolarHBondContact O-N 3.01Å; L261-A265 VanDerWaalsContact O-N 3.1Å; Q262-A265 WeakPolarHBondContact O-CB 3.2Å; Q262-A265 PolarHBondContact O-N 2.87Å; Q262-A265 VanDerWaalsContact O-N 3.08Å; K263-A265 VanDerWaalsContact C-N 3.33Å; K263-A265 PolarHBondContact O-N 3.04Å; A265-G269 WeakPolarHBondContact O-CA 3.42Å; A265-G269 PolarHBondContact O-N 3.22Å; A265-L270 VanDerWaalsContact CA-O 3.31Å; A265-L270 WeakPolarHBondContact CA-O 3.38Å; A265-L270 VanDerWaalsContact CB-O 3.24Å; A265-L270 WeakPolarHBondContact CB-O 3.5Å; A265-R272 HydrophobicContact CB-CB 4.45Å; A265-I275 HydrophobicContact CB-CD1 3.91Å; A265-I275 VanDerWaalsContact N-CD1 3.33Å
266E94.7Very high93.3Very high137 Ų13766.6 Ų66.664%0.6434%0.343SS*.Hα-helixtrans-66.3-40.9176-71.6161-159.800112Q262 K263 L264Q262-E266 PolarHBondContact NE2-OE1 3.47Å; Q262-E266 PolarHBondContact O-N 3.18Å; Q262-E266 VanDerWaalsContact O-N 3.08Å; K263-E266 PolarHBondContact O-N 3.46Å; L264-E266 VanDerWaalsContact C-N 3.34Å
267Q93.2Very high93.5Very high112 Ų11269 Ų6952%0.52336%0.357SS..Hα-helixtrans-71.9-40179.3-72.9-177-4.900113.7V245 K263 L264V245-Q267 HydrophobicContact CG1-CB 4.45Å; K263-Q267 WeakPolarHBondContact O-CG 3.06Å; K263-Q267 PolarHBondContact O-N 3.47Å; L264-Q267 PolarHBondContact O-N 3.1Å
268T92.2Very high93.6Very high10 Ų1066.4 Ų66.46%0.06134%0.342CS..Hα-helixtrans-93.1-13.2-173.961.20000113.6Q242 V245 M246 L264 L270 I275Q242-T268 PolarHBondContact NE2-O 3.1Å; V245-T268 HydrophobicContact CB-CG2 4.04Å; V245-T268 HydrophobicContact CG1-CG2 3.92Å; M246-T268 HydrophobicContact CG-CG2 4.33Å; L264-T268 WeakPolarHBondContact O-CB 3.48Å; L264-T268 WeakPolarHBondContact O-CG2 3.34Å; L264-T268 PolarHBondContact O-N 3.21Å; L264-T268 PolarHBondContact O-OG1 2.98Å; T268-L270 PolarHBondContact O-N 3.3Å; T268-L270 WeakPolarHBondContact OG1-CB 3.35Å; T268-L270 PolarHBondContact OG1-N 3.05Å; T268-I275 WeakPolarHBondContact OG1-CD1 3.09Å
269G92.3Very high93.7Very high69 Ų6964.1 Ų64.171%0.71132%0.323SS*.  trans67.810.6-171.400000113.8A265A265-G269 WeakPolarHBondContact O-CA 3.42Å; A265-G269 PolarHBondContact O-N 3.22Å
270L93.1Very high93.6Very high26 Ų2660.9 Ų60.914%0.13631%0.307CS..  trans-92.4148179.5-59.5169.9000110.4F238 Q242 M246 A265 T268 I275F238-L270 HydrophobicContact CD1-CD1 3.53Å; F238-L270 HydrophobicContact CD1-CD2 4.04Å; F238-L270 HydrophobicContact CD1-CG 4.45Å; F238-L270 HydrophobicContact CE1-CD1 3.64Å; F238-L270 HydrophobicContact CE1-CD2 4.11Å; F238-L270 HydrophobicContact CE1-CG 4.49Å; Q242-L270 HydrophobicContact CB-CD1 4.28Å; Q242-L270 HydrophobicContact CG-CD1 4.36Å; M246-L270 HydrophobicContact CE-CD1 4.02Å; M246-L270 HydrophobicContact SD-CD1 4.05Å; A265-L270 VanDerWaalsContact CA-O 3.31Å; A265-L270 WeakPolarHBondContact CA-O 3.38Å; A265-L270 VanDerWaalsContact CB-O 3.24Å; A265-L270 WeakPolarHBondContact CB-O 3.5Å; T268-L270 PolarHBondContact O-N 3.3Å; T268-L270 WeakPolarHBondContact OG1-CB 3.35Å; T268-L270 PolarHBondContact OG1-N 3.05Å; L270-I275 HydrophobicContact CB-CD1 4.05Å; L270-I275 HydrophobicContact CB-CG1 3.84Å; L270-I275 HydrophobicContact CD1-CG1 4.31Å
271S93.8Very high93.7Very high67 Ų6763.5 Ų63.547%0.46932%0.32SS..  trans-63.8144.4174.275.10000111.4R273 V274 I275S271-R273 PolarHBondContact O-N 2.99Å; S271-R273 VanDerWaalsContact O-N 3.08Å; S271-V274 WeakPolarHBondContact O-CB 3.44Å; S271-V274 PolarHBondContact O-N 3.12Å; S271-V274 WeakPolarHBondContact OG-CG2 3.38Å; S271-V274 PolarHBondContact OG-N 3.3Å; S271-I275 PolarHBondContact O-N 3.3Å; S271-I275 VanDerWaalsContact O-N 3.14Å
272R92.7Very high93.6Very high105 Ų10564.1 Ų64.140%0.39633%0.325SS..Hα-helixtrans-51.9-35.5177.4-170.4170.1159.7-177.9-8.6113.2L261 A265 Q276L261-R272 HydrophobicContact CB-CG 4.04Å; A265-R272 HydrophobicContact CB-CB 4.45Å; R272-Q276 WeakPolarHBondContact O-CB 3.37Å; R272-Q276 PolarHBondContact O-N 2.8Å
273R92.4Very high93.6Very high190 Ų19064.3 Ų64.372%0.71732%0.323SS*.Hα-helixtrans-65.9-41.7175.3-174.4177-177.597.3-0.2112.5S271 Q276 V277S271-R273 PolarHBondContact O-N 2.99Å; S271-R273 VanDerWaalsContact O-N 3.08Å; R273-Q276 PolarHBondContact O-N 2.83Å; R273-V277 VanDerWaalsContact O-CG2 3.31Å; R273-V277 WeakPolarHBondContact O-CG2 3.39Å; R273-V277 PolarHBondContact O-N 3.16Å
274V93.1Very high93.4Very high33 Ų3360.8 Ų60.820%0.232%0.317CS..Hα-helixtrans-64.6-43.7179.2168.60000110.4F238 S271 V277 W278F238-V274 HydrophobicContact CE1-CG1 3.4Å; F238-V274 VanDerWaalsContact CE1-CG1 3.4Å; F238-V274 HydrophobicContact CZ-CG1 3.61Å; S271-V274 WeakPolarHBondContact O-CB 3.44Å; S271-V274 PolarHBondContact O-N 3.12Å; S271-V274 WeakPolarHBondContact OG-CG2 3.38Å; S271-V274 PolarHBondContact OG-N 3.3Å; V274-V277 PolarHBondContact O-N 2.93Å; V274-W278 PolarHBondContact O-N 2.92Å
275I93.5Very high93Very high0 Ų068.6 Ų68.60%035%0.346CS..Hα-helixtrans-63.9-45.7176.3-59.9174000110.4M246 L261 L264 A265 T268 L270 S271 V277 W278 F279M246-I275 HydrophobicContact SD-CG1 4.3Å; M246-I275 HydrophobicContact SD-CG2 4.38Å; L261-I275 HydrophobicContact CD2-CG2 3.75Å; L264-I275 HydrophobicContact CB-CD1 3.89Å; L264-I275 HydrophobicContact CB-CG2 4.26Å; L264-I275 HydrophobicContact CD1-CG2 3.91Å; A265-I275 HydrophobicContact CB-CD1 3.91Å; A265-I275 VanDerWaalsContact N-CD1 3.33Å; T268-I275 WeakPolarHBondContact OG1-CD1 3.09Å; L270-I275 HydrophobicContact CB-CD1 4.05Å; L270-I275 HydrophobicContact CB-CG1 3.84Å; L270-I275 HydrophobicContact CD1-CG1 4.31Å; S271-I275 PolarHBondContact O-N 3.3Å; S271-I275 VanDerWaalsContact O-N 3.14Å; I275-V277 VanDerWaalsContact C-N 3.33Å; I275-V277 PolarHBondContact O-N 3Å; I275-W278 WeakPolarHBondContact O-CA 3.46Å; I275-W278 WeakPolarHBondContact O-CB 3.47Å; I275-W278 PolarHBondContact O-N 3.43Å; I275-F279 HydrophobicContact CG2-CD2 3.8Å; I275-F279 HydrophobicContact CG2-CE2 3.75Å; I275-F279 WeakPolarHBondContact O-CD2 3.47Å; I275-F279 PolarHBondContact O-N 3.39Å
276Q94Very high92.3Very high89 Ų8972.8 Ų72.842%0.41636%0.364SS..Hα-helixtrans-56.7-45.1176.6-171.8-175.417.900112.4R272 R273 W278 F279 Q280R272-Q276 WeakPolarHBondContact O-CB 3.37Å; R272-Q276 PolarHBondContact O-N 2.8Å; R273-Q276 PolarHBondContact O-N 2.83Å; Q276-W278 VanDerWaalsContact C-N 3.33Å; Q276-F279 PolarHBondContact O-N 2.92Å; Q276-Q280 WeakPolarHBondContact O-CG 3.45Å; Q276-Q280 PolarHBondContact O-N 2.82Å
277V93.9Very high91.5Very high60 Ų6074.3 Ų74.336%0.36437%0.368SS..Hα-helixtrans-65.6-36.5176.5171.10000111.3R273 V274 I275 Q280 N281R273-V277 VanDerWaalsContact O-CG2 3.31Å; R273-V277 WeakPolarHBondContact O-CG2 3.39Å; R273-V277 PolarHBondContact O-N 3.16Å; V274-V277 PolarHBondContact O-N 2.93Å; I275-V277 VanDerWaalsContact C-N 3.33Å; I275-V277 PolarHBondContact O-N 3Å; V277-Q280 PolarHBondContact O-N 3.35Å; V277-N281 WeakPolarHBondContact O-CB 3.4Å; V277-N281 PolarHBondContact O-N 3.21Å; V277-N281 PolarHBondContact O-ND2 3.44Å
278W94.8Very high90Very high25 Ų2577 Ų7710%0.09538%0.378CS..Hα-helixtrans-60.5-50.3174.2-174.697.7000111.3F238 L243 M246 Q247 F250 V274 I275 Q276 Q280 N281 C282F238-W278 AromaticContact CD2-CD1 3.92Å; F238-W278 AromaticContact CE2-CD1 3.53Å; L243-W278 HydrophobicContact CD2-CZ2 4.4Å; M246-W278 HydrophobicContact CB-CD2 4.21Å; M246-W278 HydrophobicContact CB-CE3 3.96Å; M246-W278 HydrophobicContact CB-CH2 3.76Å; M246-W278 HydrophobicContact CB-CZ2 3.99Å; M246-W278 HydrophobicContact CB-CZ3 3.75Å; M246-W278 HydrophobicContact CE-CD2 4.15Å; M246-W278 HydrophobicContact CE-CG 4.09Å; M246-W278 HydrophobicContact SD-CB 4.24Å; M246-W278 HydrophobicContact SD-CD2 3.89Å; M246-W278 HydrophobicContact SD-CE3 4.22Å; M246-W278 HydrophobicContact SD-CG 3.89Å; Q247-W278 HydrophobicContact CG-CH2 3.92Å; Q247-W278 HydrophobicContact CG-CZ2 3.93Å; F250-W278 HydrophobicContact CB-CH2 4.28Å; F250-W278 HydrophobicContact CB-CZ3 4.12Å; F250-W278 HydrophobicContact CD2-CZ3 4.18Å; F250-W278 HydrophobicContact CG-CZ3 4.39Å; V274-W278 PolarHBondContact O-N 2.92Å; I275-W278 WeakPolarHBondContact O-CA 3.46Å; I275-W278 WeakPolarHBondContact O-CB 3.47Å; I275-W278 PolarHBondContact O-N 3.43Å; Q276-W278 VanDerWaalsContact C-N 3.33Å; W278-Q280 VanDerWaalsContact C-N 3.34Å; W278-Q280 PolarHBondContact O-N 3.06Å; W278-N281 PolarHBondContact O-N 2.88Å; W278-N281 VanDerWaalsContact O-N 3.16Å; W278-C282 VanDerWaalsContact CD2-SG 3.59Å; W278-C282 HydrophobicContact CE3-CB 4.4Å; W278-C282 HydrophobicContact CH2-CB 4.45Å; W278-C282 VanDerWaalsContact CH2-SG 3.55Å; W278-C282 WeakPolarHBondContact CZ2-SG 3.42Å; W278-C282 HydrophobicContact CZ3-CB 4.23Å; W278-C282 WeakPolarHBondContact O-CB 3.42Å; W278-C282 PolarHBondContact O-N 3.16Å; W278-C282 PolarHBondContact O-SG 2.87Å; W278-C282 VanDerWaalsContact O-SG 3.38Å
279F95.4Very high88.5Confident2 Ų283.9 Ų83.91%0.00941%0.409CS..Hα-helixtrans-61-40.4177.9-87-95.7000112.4Q249 F250 P256 L261 L264 I275 Q276 C282 R283Q249-F279 HydrophobicContact CB-CZ 4.14Å; Q249-F279 HydrophobicContact CG-CZ 4.12Å; F250-F279 HydrophobicContact CB-CE1 3.91Å; F250-F279 HydrophobicContact CB-CZ 4.4Å; F250-F279 AromaticContact CD2-CD1 3.6Å; F250-F279 HydrophobicContact CD2-CD1 3.6Å; F250-F279 AromaticContact CD2-CE1 3.73Å; F250-F279 HydrophobicContact CD2-CE1 3.73Å; F250-F279 HydrophobicContact CE2-CD1 4.32Å; F250-F279 HydrophobicContact CG-CE1 4.32Å; P256-F279 VanDerWaalsContact CD-CD1 3.45Å; P256-F279 HydrophobicContact CG-CD1 3.61Å; P256-F279 HydrophobicContact CG-CD2 4.26Å; P256-F279 HydrophobicContact CG-CE1 3.56Å; P256-F279 HydrophobicContact CG-CE2 4.23Å; P256-F279 HydrophobicContact CG-CG 3.99Å; P256-F279 HydrophobicContact CG-CZ 3.9Å; L261-F279 HydrophobicContact CD2-CD2 4.4Å; L264-F279 HydrophobicContact CD1-CE2 3.64Å; L264-F279 HydrophobicContact CD1-CZ 3.86Å; I275-F279 HydrophobicContact CG2-CD2 3.8Å; I275-F279 HydrophobicContact CG2-CE2 3.75Å; I275-F279 WeakPolarHBondContact O-CD2 3.47Å; I275-F279 PolarHBondContact O-N 3.39Å; Q276-F279 PolarHBondContact O-N 2.92Å; F279-C282 PolarHBondContact O-N 3.21Å; F279-R283 WeakPolarHBondContact O-CG 3.49Å; F279-R283 PolarHBondContact O-N 2.89Å
280Q93.7Very high87Confident89 Ų8985.1 Ų85.142%0.41640%0.403SS..Hα-helixtrans-60.6-46.1174.2-72.3172.314.700112Q276 V277 W278 R283 A284Q276-Q280 WeakPolarHBondContact O-CG 3.45Å; Q276-Q280 PolarHBondContact O-N 2.82Å; V277-Q280 PolarHBondContact O-N 3.35Å; W278-Q280 VanDerWaalsContact C-N 3.34Å; W278-Q280 PolarHBondContact O-N 3.06Å; Q280-R283 PolarHBondContact O-N 2.85Å; Q280-A284 WeakPolarHBondContact O-CB 3.12Å; Q280-A284 PolarHBondContact O-N 3.49Å
281N94Very high84.7Confident90 Ų9088.2 Ų88.248%0.48143%0.426SS..Hα-helixtrans-66.7-39.2178.5-76.2-33.2000112.2V277 W278 A284 R285V277-N281 WeakPolarHBondContact O-CB 3.4Å; V277-N281 PolarHBondContact O-N 3.21Å; V277-N281 PolarHBondContact O-ND2 3.44Å; W278-N281 PolarHBondContact O-N 2.88Å; W278-N281 VanDerWaalsContact O-N 3.16Å; N281-A284 PolarHBondContact O-N 3.23Å; N281-R285 WeakPolarHBondContact O-CG 3.32Å; N281-R285 PolarHBondContact O-N 3.12Å
282C92.4Very high82.7Confident28 Ų2890.5 Ų90.519%0.18944%0.44CS..Hα-helixtrans-63.4-47.1175.7-73.80000111.4F250 W278 F279 A284 R285 H286F250-C282 HydrophobicContact CD2-CB 4.09Å; F250-C282 HydrophobicContact CE2-CB 3.65Å; F250-C282 HydrophobicContact CZ-CB 3.98Å; W278-C282 VanDerWaalsContact CD2-SG 3.59Å; W278-C282 HydrophobicContact CE3-CB 4.4Å; W278-C282 HydrophobicContact CH2-CB 4.45Å; W278-C282 VanDerWaalsContact CH2-SG 3.55Å; W278-C282 WeakPolarHBondContact CZ2-SG 3.42Å; W278-C282 HydrophobicContact CZ3-CB 4.23Å; W278-C282 WeakPolarHBondContact O-CB 3.42Å; W278-C282 PolarHBondContact O-N 3.16Å; W278-C282 PolarHBondContact O-SG 2.87Å; W278-C282 VanDerWaalsContact O-SG 3.38Å; F279-C282 PolarHBondContact O-N 3.21Å; C282-A284 VanDerWaalsContact C-N 3.32Å; C282-A284 PolarHBondContact O-N 2.91Å; C282-R285 PolarHBondContact O-N 2.75Å; C282-H286 WeakPolarHBondContact O-CB 3.38Å; C282-H286 PolarHBondContact O-N 2.88Å
283R93.1Very high80.1Confident80 Ų8092.8 Ų92.830%0.30246%0.46SS..Hα-helixtrans-59.5-41.3173.3-71.2-165.9-62-91.66.6112.5F250 N254 F279 Q280 R285 H286 K287F250-R283 HydrophobicContact CE2-CG 3.8Å; F250-R283 HydrophobicContact CZ-CG 4.15Å; N254-R283 VanDerWaalsContact O-CD 3.29Å; N254-R283 WeakPolarHBondContact O-CD 3.28Å; N254-R283 PolarHBondContact O-NH1 3.14Å; F279-R283 WeakPolarHBondContact O-CG 3.49Å; F279-R283 PolarHBondContact O-N 2.89Å; Q280-R283 PolarHBondContact O-N 2.85Å; R283-R285 VanDerWaalsContact C-N 3.29Å; R283-R285 PolarHBondContact O-N 3.37Å; R283-H286 PolarHBondContact O-N 3.13Å; R283-K287 WeakPolarHBondContact O-CB 3.48Å; R283-K287 PolarHBondContact O-N 3.03Å
284A89.1Confident77.6Confident51 Ų5191.8 Ų91.842%0.42146%0.463SS..Hα-helixtrans-63.2-35177.900000112.5Q280 N281 C282 K288Q280-A284 WeakPolarHBondContact O-CB 3.12Å; Q280-A284 PolarHBondContact O-N 3.49Å; N281-A284 PolarHBondContact O-N 3.23Å; C282-A284 VanDerWaalsContact C-N 3.32Å; C282-A284 PolarHBondContact O-N 2.91Å; A284-K288 WeakPolarHBondContact O-CG 3.01Å
285R86.5Confident74.9Confident165 Ų16595.2 Ų95.262%0.62348%0.484SS*.Hα-helixtrans-71.4-45.9172.7-70171.2179.7-870.8111.1N281 C282 R283 K287 K288 H289N281-R285 WeakPolarHBondContact O-CG 3.32Å; N281-R285 PolarHBondContact O-N 3.12Å; C282-R285 PolarHBondContact O-N 2.75Å; R283-R285 VanDerWaalsContact C-N 3.29Å; R283-R285 PolarHBondContact O-N 3.37Å; R285-K287 VanDerWaalsContact C-N 3.32Å; R285-K287 PolarHBondContact O-N 3.4Å; R285-K288 WeakPolarHBondContact O-CB 3.3Å; R285-K288 PolarHBondContact O-N 3.27Å; R285-H289 PolarHBondContact O-CD2 3.24Å; R285-H289 PolarHBondContact O-N 3.05Å
286H80.8Confident72.3Confident101 Ų101100.6 Ų100.647%0.46852%0.522SS..Hα-helixtrans-58.3-43.1178.8-163.3-98.3000111.9C282 R283 K288 H289 V290C282-H286 WeakPolarHBondContact O-CB 3.38Å; C282-H286 PolarHBondContact O-N 2.88Å; R283-H286 PolarHBondContact O-N 3.13Å; H286-K288 PolarHBondContact O-N 3.06Å; H286-H289 PolarHBondContact O-N 3.2Å; H286-H289 VanDerWaalsContact O-N 3.13Å; H286-V290 WeakPolarHBondContact O-CG2 3.39Å; H286-V290 PolarHBondContact O-N 3.32Å
287K78.4Confident69.4Low169 Ų169101.5 Ų101.574%0.73554%0.538SS*.Hα-helixtrans-61.5-27.6175.2-172.3174.4177.4177.40113.6R283 R285R283-K287 WeakPolarHBondContact O-CB 3.48Å; R283-K287 PolarHBondContact O-N 3.03Å; R285-K287 VanDerWaalsContact C-N 3.32Å; R285-K287 PolarHBondContact O-N 3.4Å
288K60.9Low66.6Low169 Ų169105.2 Ų105.274%0.73556%0.561SS**Hα-helixtrans-81.5-24.5176.7-70.9178.7-179.6-1710113.3A284 R285 H286A284-K288 WeakPolarHBondContact O-CG 3.01Å; R285-K288 WeakPolarHBondContact O-CB 3.3Å; R285-K288 PolarHBondContact O-N 3.27Å; H286-K288 PolarHBondContact O-N 3.06Å
289H61Low64.3Low154 Ų154109.4 Ų109.471%0.71359%0.591SS**Hα-helixtrans-93.6-15.1-178.6-70.5-69.4000113.8R285 H286R285-H289 PolarHBondContact O-CD2 3.24Å; R285-H289 PolarHBondContact O-N 3.05Å; H286-H289 PolarHBondContact O-N 3.2Å; H286-H289 VanDerWaalsContact O-N 3.13Å
290V60.2Low61.5Low95 Ų95118.5 Ų118.558%0.57664%0.636SS**SBendtrans-91-4.1178177.50000113.1H286 P292H286-V290 WeakPolarHBondContact O-CG2 3.39Å; H286-V290 PolarHBondContact O-N 3.32Å; V290-P292 WeakPolarHBondContact O-CD 3.34Å
291S44.8Very low58.7Low90 Ų90118.4 Ų118.463%0.62965%0.65SS**  trans-117.589.8175.5-61.60000112.3
292P51.8Low55.9Low116 Ų116119.7 Ų119.775%0.75367%0.666SS**  trans-83.1128.4151.131.7-22.6000108.3V290V290-P292 WeakPolarHBondContact O-CD 3.34Å
293N37.8Very low53.2Low153 Ų153125.5 Ų125.582%0.81870%0.695SS**  trans69.4105.8-177.7-81.8-3.8000117.3
294H39.8Very low50.3Low168 Ų168130.9 Ų130.978%0.77872%0.724SS**  -179.1157.488.9-134.9-89.9000111.1
295T36.3Very low47.5Very low106 Ų106135.2 Ų135.265%0.6575%0.745SS**  trans-56.6152.1178.858.70000115
296S39.2Very low44.8Very low112 Ų112131.1 Ų131.178%0.78375%0.754SS**  trans-0.3121.7154.5-35.80000118.6
297S34.6Very low42.3Very low108 Ų108138.4 Ų138.476%0.75578%0.777SS**  157.2121.1126.161.10000113.9
298T34.9Very low40Very low139 Ų139137.7 Ų137.785%0.85378%0.781SS**  trans52.9146.2148.619.60000123.3
299P46.4Very low39.5Very low113 Ų113134.6 Ų134.673%0.73478%0.778SS**  trans-99.7148.1-175.237.9-28.2000113.1
300M35.3Very low38Very low193 Ų193135.2 Ų135.295%0.95178%0.781SS**  trans-151.9148.2150.1-101-58.1159.300111.6
301A35.2Very low37.2Very low86 Ų86136.1 Ų136.171%0.71179%0.789SS**  trans-72.8155-174.600000114
302S34.4Very low36.7Very low117 Ų117136.9 Ų136.982%0.81879%0.79SS**  177.6161.1117-113.70000114.1
303L36.3Very low35.8Very low151 Ų151137.4 Ų137.479%0.79179%0.794SS**  trans-57.6148.6-176.7-62.4131.6000115
304Q33.2Very low35.7Very low193 Ų193136.1 Ų136.190%0.90279%0.791SS**  171.2151.5109.2-91.9171.223.700114.5
305T29.2Very low36Very low142 Ų142132.9 Ų132.987%0.87179%0.785SS**  trans-84.3150.9-177.536.10000115
306G29.8Very low35.9Very low79 Ų79135.6 Ų135.681%0.81479%0.791SS**  trans133.1122.4137.100000120.2
307R29.2Very low35.5Very low253 Ų253137.6 Ų137.696%0.95579%0.788SS**  trans96.4125.7141.7-122.3178.4-172.2-116.63.9122.1
308L29.7Very low35.4Very low155 Ų155139.1 Ų139.181%0.81279%0.786SS**  trans-87.2-177.4165.7-104125.2000111.6
309P49.9Very low35Very low104 Ų104140.7 Ų140.768%0.67578%0.784SS**  cis-140167.9-8.634.4-13.7000118.4
310Q30.9Very low34.1Very low167 Ų167144.6 Ų144.678%0.7879%0.786SS**  trans57.3165147.8-100.8-160.6-1700122.3
311P43.5Very low34Very low113 Ų113142.4 Ų142.473%0.73478%0.783SS**  cis-135.5169.725.137.4-15.6000118.6
312T33Very low33.8Very low107 Ų107141.4 Ų141.466%0.65678%0.775SS**  trans-67.2161.4163.942.80000113.1
313P33.7Very low33.9Very low127 Ų127147.3 Ų147.383%0.82578%0.781SS**  -138.5142.7119.432.3-17.5000114.9
314T34.8Very low33.8Very low126 Ų126144.2 Ų144.277%0.77379%0.786SS**  trans-113.5164.5152.752.70000105.8
315P47.1Very low33.9Very low100 Ų100138.6 Ų138.665%0.64978%0.779SS**  cis-155.3178.245.339.7-15.4000118.7
316E33.3Very low35Very low163 Ų163137.4 Ų137.476%0.76277%0.774SS**  trans69.3143.3146.1-79.3169.3134.900120.1
317E31.2Very low35.2Very low154 Ų154142.9 Ų142.972%0.7278%0.779SS**  cis-161.6133.818.4-118.5177.3118.700107.8
318L32.2Very low35.3Very low139 Ų139134.1 Ų134.173%0.72877%0.767SS**  51.6115.4105-77.4153.5000116.9
319Q27.3Very low35.5Very low173 Ų173131.4 Ų131.481%0.80876%0.761SS**  176.4137.6104.5-157.8726.400112.1
320Y26.6Very low34.7Very low195 Ų195134 Ų13477%0.76577%0.766SS**  trans-66.1145179.9-159.8-101000114.7A322Y320-A322 HydrophobicContact CE1-CB 4.33Å
321T33Very low34.9Very low147 Ų147133.7 Ų133.790%0.90277%0.769SS**  trans-159.1133.6135.337.20000111.3
322A31.9Very low34.2Very low65 Ų65133.7 Ų133.754%0.53777%0.772SS.*  trans-111.4140.1179.900000109.9Y320Y320-A322 HydrophobicContact CE1-CB 4.33Å
323Y36.9Very low34.2Very low240 Ų240132.1 Ų132.194%0.94177%0.77SS**  trans-158.399.7151.3-89.7-78.7000104.4
324G34Very low34.3Very low87 Ų87133.9 Ų133.990%0.89777%0.772SS**  64.9115.391.200000110.9
325G35.3Very low34Very low74 Ų74136.1 Ų136.176%0.76377%0.773SS**  cis172.1-164.910.500000105.9
326P52.4Low33.1Very low118 Ų118134.8 Ų134.877%0.76677%0.766SS**  cis-129.7157.4-19.533.7-13.7000115.2
327E33.3Very low33.2Very low193 Ų193134.3 Ų134.390%0.90276%0.762SS**  trans64.3121.5137.4-60.5-85.6122.500122.1
328G32Very low33.2Very low70 Ų70135 Ų13572%0.72277%0.768SS**  133.989.8125.900000119.6
329S33.9Very low33.3Very low98 Ų98133 Ų13369%0.68576%0.758SS**  82.3122.7126.9-147.70000122.5
330M33.3Very low33.5Very low157 Ų157131.2 Ų131.277%0.77375%0.753SS**  trans50.3130.7132.4-73.4-164.1-64.100122.8
331L35.1Very low33.7Very low162 Ų162129.6 Ų129.685%0.84875%0.752SS**  26.7115.7126.8-76.5150000117.1
332S28.7Very low33.8Very low112 Ų112128 Ų12878%0.78375%0.747SS**  154.5143.1105.8-164.70000110.9
333A32.1Very low34.6Very low75 Ų75130.6 Ų130.662%0.6276%0.759SS**  trans48.3127.6144.800000121.3
334L35.4Very low35.2Very low164 Ų164124.8 Ų124.886%0.85975%0.75SS**  trans56.2113.9133.8-66.1167.6000118.1
335H28.1Very low35.3Very low173 Ų173125.8 Ų125.880%0.80174%0.743SS**  trans-159.9150.2139-96.3175.9000106.6
336S28.9Very low35.3Very low72 Ų72130.2 Ų130.250%0.50375%0.746SS.*  cis177.3161.9-9.3-90.80000102.6
337F36.1Very low34.2Very low153 Ų153134.1 Ų134.167%0.67175%0.752SS**  172.5147.776.5-80.7-78000104.2D339F337-D339 VanDerWaalsContact CD1-OD2 3.28Å; F337-D339 WeakPolarHBondContact CD1-OD2 3.48Å
338I31.1Very low34.3Very low167 Ų167133.5 Ų133.586%0.85675%0.749SS**  -146.6114.673.8-74.5164.6000111.3
339D34.2Very low35.3Very low98 Ų98135 Ų13552%0.52475%0.746SS.*  trans-2.8139.7135-89.7-65.1000122.4F337F337-D339 VanDerWaalsContact CD1-OD2 3.28Å; F337-D339 WeakPolarHBondContact CD1-OD2 3.48Å
340I31.6Very low35Very low136 Ų136138.3 Ų138.370%0.69776%0.755SS**  174.4128.886.3-111.3140.3000113.5
341H30Very low35.3Very low160 Ų160138.6 Ų138.674%0.74176%0.758SS**  trans59.9123.5147.2-55.1163.5000125.1
342S35.3Very low35.7Very low114 Ų114137 Ų13780%0.79776%0.758SS**  trans-111.7170141.9-59.90000107.3
343P49.5Very low36Very low120 Ų120135.5 Ų135.578%0.77975%0.752SS**  cis-158.1-147.448.444.6-19.5000113.1
344P48.7Very low36.3Very low118 Ų118140.3 Ų140.377%0.76676%0.761SS**  cis-129.1-175.7-23.730.4-7.5000114.9
345S35.5Very low36.2Very low107 Ų107136.8 Ų136.875%0.74876%0.756SS**  trans-52.6156.1178.9-45.30000118.8
346M35.6Very low36.8Very low168 Ų168136.3 Ų136.383%0.82876%0.756SS**  149146.9125.4-72.9-77.1-151.200112.7
347F30.4Very low37.1Very low200 Ų200140.1 Ų140.188%0.87778%0.777SS**  trans84.1106.9166.2-71.2-83.3000120.9
348Q35.5Very low37.6Very low180 Ų180137.9 Ų137.984%0.84178%0.78SS**  trans-75.2169.3133.7-99.9175.6-69.600108.9
349P51.8Low38Very low102 Ų102137.9 Ų137.966%0.66278%0.781SS**  cis-134.5175.37.133.7-12.7000114.1
350L28.6Very low38.8Very low166 Ų166138.7 Ų138.787%0.86979%0.791SS**  trans157.1135.8132.1-82.7160.5000112.4
351L38.4Very low39.5Very low163 Ų163137.6 Ų137.685%0.85379%0.791SS**  trans-56.7161.2166.2-73.1156.6000111.7
352P44.1Very low40.2Very low128 Ų128135.9 Ų135.983%0.83180%0.797SS**  -141.8165.2109.624.1-3.5000116.3
353A34.4Very low40.8Very low81 Ų81138.7 Ų138.767%0.66980%0.797SS**  trans-74.3159.2-176.700000116.3
354H38.8Very low40.8Very low176 Ų176141 Ų14182%0.81583%0.826SS**  trans38.6122.8144.2-63-65.2000122
355A32.7Very low40.4Very low91 Ų91142.2 Ų142.275%0.75283%0.829SS**  -179.6110.1127.200000108.6
356M41.3Very low40.7Very low163 Ų163144 Ų14480%0.80383%0.834SS**  48.498.785.9-44.7-79.2-17000113.7
357T35.5Very low40.9Very low151 Ų151142.7 Ų142.793%0.92683%0.834SS**  trans-169.8109.91399.10000111.8
358S45.8Very low41.6Very low107 Ų107139.3 Ų139.375%0.74883%0.831SS**  trans-90.6138.2163.650.10000109.9
359L40.8Very low41.9Very low167 Ų167136.8 Ų136.887%0.87483%0.831SS**  trans-166.5160.6155.2-79-171.5000109.5
360P50Low41.3Very low114 Ų114139.1 Ų139.174%0.7484%0.842SS**  cis-129.9168.3-3334.5-17.2000113.5
361V47.2Very low42.2Very low113 Ų113137.1 Ų137.169%0.68584%0.84SS**  trans-65.8148.4166.91700000111.4
362S45.3Very low42.5Very low124 Ų124135.2 Ų135.287%0.86784%0.839SS**  trans-149.7117.3144.4-71.70000110.5
363H46.9Very low42.3Very low173 Ų173135.8 Ų135.880%0.80184%0.84SS**  trans-69.2151.5171.9-91.4-111.1000112.2
364A49.5Very low43.1Very low169 Ų169140.7 Ų140.7100%1.39786%0.855SS**  -1440125.100000108

Retrieved 364 of 364 residues in 115.9 ms (Link to these results)