A0A077ZI48_TRITR Loading...

Achaete scute 1b

AlphaFold DB , UniProt , Accession A0A077ZI48, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 254 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.9Very low47.7Very low238 Ų238167.8 Ų167.8100%1.17286%0.856SS**  058.10-62.4170.9174.500106.9
2S39.3Very low47.2Very low107 Ų107168 Ų16875%0.74886%0.86SS**  70.310563.4-53.30000113.2
3Q44.7Very low46.9Very low195 Ų195160.5 Ų160.591%0.91184%0.839SS**  trans80.4131.7161.6-49.8-172.648.900115.7
4S49.4Very low47Very low104 Ų104157 Ų15773%0.72782%0.818SS**  cis-165.7129.61.652.30000108.9
5L45.3Very low46.8Very low164 Ų164157.1 Ų157.186%0.85982%0.821SS**  trans-105.382.9171.4-179.883.5000108
6M47.7Very low46.6Very low162 Ų162154.7 Ų154.780%0.79881%0.814SS**  trans-161.4109.2169.7-75.7100.4-160.300108.8
7D44.4Very low46.6Very low157 Ų157151.6 Ų151.684%0.8480%0.802SS**  trans149.272.4148.8-91.7-13.6000113.2
8R52.9Low46.5Very low249 Ų249148.7 Ų148.794%0.9480%0.796SS**  trans-136.422.6159.2-74.6-164.3177.5-134.3-0113.9
9T46.9Very low46.6Very low128 Ų128148.2 Ų148.279%0.78579%0.793SS**  trans-123.671.7-17856.40000111.2
10M54.9Low46.6Very low145 Ų145146 Ų14671%0.71479%0.789SS**  trans-148.711.6165.5-95.7-155-177.500114.9D12 M14M10-D12 PolarHBondContact O-N 2.96Å; M10-M14 HydrophobicContact CG-CE 4.49Å; M10-M14 HydrophobicContact SD-CE 3.82Å
11E50.5Low46.7Very low197 Ų197144.4 Ų144.492%0.92179%0.789SS**THydrogen-bonded Turntrans-85.3-2.1-177.6-64.3-134.614000115.2
12D41.7Very low46.6Very low170 Ų170140.3 Ų140.391%0.90977%0.768SS**THydrogen-bonded Turntrans-124.312.5-173.3-113.4-15.5000116M10M10-D12 PolarHBondContact O-N 2.96Å
13A43.1Very low47.2Very low71 Ų71146.2 Ų146.259%0.58777%0.774SS**SBendtrans-118.65.2-177.300000115.6
14M48.9Very low47.5Very low111 Ų111141.3 Ų141.355%0.54776%0.76SS.*SBendtrans-104.12.1-170.6-56.4-62.417400115.2M10M10-M14 HydrophobicContact CG-CE 4.49Å; M10-M14 HydrophobicContact SD-CE 3.82Å
15D43.5Very low47.5Very low159 Ų159143.4 Ų143.485%0.8576%0.764SS**SBendtrans-96.25.7-177.2-147.619.7000114.7
16V44Very low48Very low118 Ų118142.6 Ų142.672%0.71576%0.759SS**SBendtrans-116.7-9.4179.8111.20000115.1
17V46.5Very low48Very low102 Ų102141.4 Ų141.462%0.61876%0.76SS**SBendtrans-101.9-1.3-177.9-65.70000114.9L19V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.28Å
18S44.9Very low48.1Very low99 Ų99139.3 Ų139.369%0.69276%0.758SS**THydrogen-bonded Turntrans-86.35.5175.6-68.80000114.4
19L48.5Very low47.9Very low139 Ų139132.3 Ų132.373%0.72875%0.747SS**THydrogen-bonded Turntrans-92.21.7-176.4-74.9172.1000115.4V17V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 PolarHBondContact O-N 3.28Å
20S45.4Very low48.1Very low104 Ų104132.5 Ų132.573%0.72775%0.748SS**SBendtrans-126.6-7.4-170-57.60000116.8
21S49.4Very low47.8Very low113 Ų113132 Ų13279%0.7976%0.759SS**SBendtrans-113.62.1-172.1-147.70000117.1
22E46.8Very low47.5Very low153 Ų153125.8 Ų125.872%0.71575%0.748SS**SBendtrans-115.232.9172.1-67.7-169.7104.300112.3R43E22-R43 IonicContact OE2-NH2 3.29Å; E22-R43 PolarHBondContact OE2-NH2 2.98Å
23R51Low48Very low231 Ų231123.1 Ų123.187%0.87274%0.742SS**  trans-93.114.6-175.9-142.3174.3-175.8161.7-0.4114.4
24S51.4Low48.8Very low91 Ų91127 Ų12764%0.63675%0.752SS**SBendtrans-106.2-11.6-168.550.60000118
25D49.4Very low49.7Very low149 Ų149132.7 Ų132.780%0.79777%0.767SS**SBendtrans-120.715.8-169.9-58.8-36.7000116.9
26I55.9Low51.1Low146 Ų146131.9 Ų131.975%0.74976%0.756SS**SBendtrans-126.553.6178.2-42.5178.8000111.4
27V48.6Very low52.9Low137 Ų137131.5 Ų131.583%0.8375%0.746SS**  trans-148.585158.41240000106.6
28S46.6Very low54.9Low113 Ų113131.4 Ų131.479%0.7975%0.748SS**  trans-172.3125.5162.8-85.50000110.4
29S48.9Very low57Low103 Ų103130.4 Ų130.472%0.7274%0.738SS**  trans8191.5153-48.20000116.7
30T50.7Low59Low132 Ų132127.7 Ų127.781%0.8172%0.723SS**  65.9111.896.952.30000114.5
31S49Very low61.1Low134 Ų134125.2 Ų125.294%0.93770%0.703SS**SBendtrans28.392.9153.8-62.40000118.2
32G42.4Very low63.2Low67 Ų67122.6 Ų122.669%0.69169%0.689SS**SBendtrans162.1105.1163.300000114.6I34G32-I34 PolarHBondContact O-N 3.41Å
33S52.7Low65.4Low113 Ų113121.2 Ų121.279%0.7968%0.677SS**  trans41.274.5156.8-173.50000117.3R35S33-R35 PolarHBondContact O-N 2.75Å
34I61Low67.5Low153 Ų153117.7 Ų117.779%0.78566%0.664SS**  trans-69.890.8176.9-56.2172.7000110.4G32 K36G32-I34 PolarHBondContact O-N 3.41Å; I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 HydrophobicContact CG2-CG 4.36Å; I34-K36 PolarHBondContact O-N 2.9Å
35R66.5Low69.7Low230 Ų230117.5 Ų117.587%0.86866%0.655SS**  trans-65.995.2157.1-67.6-167.4-66.8-146.90.3106.8S33 H37S33-R35 PolarHBondContact O-N 2.75Å; R35-H37 PolarHBondContact O-N 3.38Å; R35-H37 VanDerWaalsContact O-N 3.1Å
36K73.3Confident71.9Confident142 Ų142112.7 Ų112.762%0.61764%0.636SS**  trans-48.7120.7179.4-64.7173-176.4169.70108.8I34 V41I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 HydrophobicContact CG2-CG 4.36Å; I34-K36 PolarHBondContact O-N 2.9Å; K36-V41 HydrophobicContact CB-CG2 3.58Å
37H82Confident73.9Confident110 Ų110112.3 Ų112.351%0.50963%0.626SS.*  trans-50.6130-179.2-175.4-100.5000110.1R35 V39 L40 V41R35-H37 PolarHBondContact O-N 3.38Å; R35-H37 VanDerWaalsContact O-N 3.1Å; H37-V39 WeakPolarHBondContact CE1-CG2 3.37Å; H37-V39 WeakPolarHBondContact ND1-CB 3.35Å; H37-V39 PolarHBondContact ND1-N 3.29Å; H37-V39 PolarHBondContact O-N 2.76Å; H37-V39 VanDerWaalsContact O-N 3.07Å; H37-L40 HydrophobicContact CB-CD1 4.07Å; H37-L40 HydrophobicContact CB-CG 4.12Å; H37-L40 WeakPolarHBondContact O-CB 3.49Å; H37-L40 PolarHBondContact O-N 3.26Å; H37-V41 PolarHBondContact O-N 3.44Å
38P88.5Confident76.2Confident100 Ų100110 Ų11065%0.64961%0.606SS**Hα-helixtrans-55.5-33.2-171.119.6-32.5000113V41 A42P38-V41 PolarHBondContact O-N 2.99Å; P38-A42 WeakPolarHBondContact O-CB 3.35Å; P38-A42 PolarHBondContact O-N 2.76Å
39V89.6Confident78.7Confident79 Ų79113.7 Ų113.748%0.47960%0.602SS.*Hα-helixtrans-65.7-40.3176.1-178.50000112H37 V41 A42 R43H37-V39 WeakPolarHBondContact CE1-CG2 3.37Å; H37-V39 WeakPolarHBondContact ND1-CB 3.35Å; H37-V39 PolarHBondContact ND1-N 3.29Å; H37-V39 PolarHBondContact O-N 2.76Å; H37-V39 VanDerWaalsContact O-N 3.07Å; V39-V41 VanDerWaalsContact C-N 3.32Å; V39-V41 PolarHBondContact O-N 2.75Å; V39-A42 PolarHBondContact O-N 3.44Å; V39-R43 WeakPolarHBondContact O-CB 3.37Å; V39-R43 PolarHBondContact O-N 2.89Å
40L89.4Confident81.1Confident82 Ų82112.3 Ų112.343%0.42959%0.587SS.*Hα-helixtrans-67-37.2177.9-63.4178.7000111.1H37 R44H37-L40 HydrophobicContact CB-CD1 4.07Å; H37-L40 HydrophobicContact CB-CG 4.12Å; H37-L40 WeakPolarHBondContact O-CB 3.49Å; H37-L40 PolarHBondContact O-N 3.26Å; L40-R44 WeakPolarHBondContact O-CB 3.23Å; L40-R44 PolarHBondContact O-N 2.95Å
41V89.8Confident83.3Confident51 Ų51112.1 Ų112.131%0.30957%0.571SS.*Hα-helixtrans-65.2-46.7174.31790000110.5K36 H37 P38 V39 R43 R44 N45K36-V41 HydrophobicContact CB-CG2 3.58Å; H37-V41 PolarHBondContact O-N 3.44Å; P38-V41 PolarHBondContact O-N 2.99Å; V39-V41 VanDerWaalsContact C-N 3.32Å; V39-V41 PolarHBondContact O-N 2.75Å; V41-R43 PolarHBondContact O-N 2.65Å; V41-R44 WeakPolarHBondContact O-CB 3.3Å; V41-R44 PolarHBondContact O-N 3.15Å; V41-N45 WeakPolarHBondContact O-CB 3.29Å; V41-N45 PolarHBondContact O-N 3.46Å; V41-N45 PolarHBondContact O-OD1 2.92Å
42A93.7Very high85.7Confident58 Ų58108.1 Ų108.148%0.47954%0.541SS..Hα-helixtrans-59.4-46176.500000111.9P38 V39 R44 N45 A46P38-A42 WeakPolarHBondContact O-CB 3.35Å; P38-A42 PolarHBondContact O-N 2.76Å; V39-A42 PolarHBondContact O-N 3.44Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 2.75Å; A42-N45 PolarHBondContact O-N 3.33Å; A42-A46 WeakPolarHBondContact O-CB 3.39Å; A42-A46 PolarHBondContact O-N 3.24Å
43R94.1Very high88.3Confident124 Ų124112.2 Ų112.247%0.46854%0.536SS..Hα-helixtrans-60.1-41.4175.8-161.2-173.6-76.4-173.5-1.5111.2E22 V39 V41 R47E22-R43 IonicContact OE2-NH2 3.29Å; E22-R43 PolarHBondContact OE2-NH2 2.98Å; V39-R43 WeakPolarHBondContact O-CB 3.37Å; V39-R43 PolarHBondContact O-N 2.89Å; V41-R43 PolarHBondContact O-N 2.65Å; R43-R47 WeakPolarHBondContact O-CG 3.5Å; R43-R47 PolarHBondContact O-N 2.76Å
44R94.1Very high90.5Very high158 Ų158113.8 Ų113.860%0.59653%0.531SS*.Hα-helixtrans-64.4-44.4175.3-170.8-175.8-168.8116.41.4112.3L40 V41 A42 R47 E48L40-R44 WeakPolarHBondContact O-CB 3.23Å; L40-R44 PolarHBondContact O-N 2.95Å; V41-R44 WeakPolarHBondContact O-CB 3.3Å; V41-R44 PolarHBondContact O-N 3.15Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 2.75Å; R44-R47 WeakPolarHBondContact O-CB 3.43Å; R44-R47 PolarHBondContact O-N 2.92Å; R44-E48 PolarHBondContact O-N 3.02Å
45N97.1Very high92.3Very high86 Ų86109.5 Ų109.546%0.4651%0.512SS..Hα-helixtrans-66.5-38.5-180-69.1-7.3000111.7V41 A42 E48 R49V41-N45 WeakPolarHBondContact O-CB 3.29Å; V41-N45 PolarHBondContact O-N 3.46Å; V41-N45 PolarHBondContact O-OD1 2.92Å; A42-N45 PolarHBondContact O-N 3.33Å; N45-E48 PolarHBondContact O-N 3.44Å; N45-R49 WeakPolarHBondContact O-CG 3.32Å; N45-R49 PolarHBondContact O-N 2.76Å
46A96Very high93.8Very high48 Ų48101.3 Ų101.340%0.39749%0.485SS..Hα-helixtrans-60.3-44.7173.800000111.6A42 E48 R49 N50A42-A46 WeakPolarHBondContact O-CB 3.39Å; A42-A46 PolarHBondContact O-N 3.24Å; A46-E48 PolarHBondContact O-N 2.9Å; A46-R49 PolarHBondContact O-N 2.8Å; A46-N50 PolarHBondContact O-N 3.28Å; A46-N50 VanDerWaalsContact O-N 3.1Å
47R98.1Very high95Very high139 Ų13999.6 Ų99.653%0.52548%0.48SS..Hα-helixtrans-59.4-45.2174-69.9-171.1-59.5-99.94.8112.2R43 R44 R49 N50 R51R43-R47 WeakPolarHBondContact O-CG 3.5Å; R43-R47 PolarHBondContact O-N 2.76Å; R44-R47 WeakPolarHBondContact O-CB 3.43Å; R44-R47 PolarHBondContact O-N 2.92Å; R47-R49 PolarHBondContact O-N 2.78Å; R47-N50 PolarHBondContact O-N 2.91Å; R47-R51 PolarHBondContact O-N 3.29Å
48E97.8Very high95.7Very high88 Ų8896.4 Ų96.441%0.41148%0.477SS..Hα-helixtrans-65.1-38.7179.6-179.656.7-166.600112.3R44 N45 A46 N50 R51 V52R44-E48 PolarHBondContact O-N 3.02Å; N45-E48 PolarHBondContact O-N 3.44Å; A46-E48 PolarHBondContact O-N 2.9Å; E48-N50 VanDerWaalsContact C-N 3.34Å; E48-N50 PolarHBondContact O-N 2.76Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-R51 IonicContact OE1-CZ 3.7Å; E48-R51 IonicContact OE1-NE 2.8Å; E48-R51 PolarHBondContact OE1-NE 2.93Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.18Å; E48-R51 IonicContact OE2-CZ 3.87Å; E48-R51 IonicContact OE2-NE 2.69Å; E48-R51 PolarHBondContact OE2-NE 3.13Å; E48-R51 IonicContact OE2-NH2 3.41Å; E48-V52 HydrophobicContact CG-CG2 4.46Å; E48-V52 WeakPolarHBondContact O-CB 3.44Å; E48-V52 VanDerWaalsContact O-CG2 3.32Å; E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 3.07Å; E48-V52 WeakPolarHBondContact OE1-CG2 3.33Å
49R98.2Very high96.1Very high190 Ų19093.3 Ų93.372%0.71745%0.454SS*.Hα-helixtrans-60.1-42.6172.9-74.5178.2178.4172.7-0.3112N45 A46 R47 V52 R53N45-R49 WeakPolarHBondContact O-CG 3.32Å; N45-R49 PolarHBondContact O-N 2.76Å; A46-R49 PolarHBondContact O-N 2.8Å; R47-R49 PolarHBondContact O-N 2.78Å; R49-V52 PolarHBondContact O-N 3.32Å; R49-R53 WeakPolarHBondContact O-CB 3.45Å; R49-R53 PolarHBondContact O-N 3.17Å
50N98.4Very high96.4Very high74 Ų7492.4 Ų92.440%0.39645%0.448SS..Hα-helixtrans-65.7-43.2176.9-74.2-23.7000111.8A46 R47 E48 V52 R53 Q54A46-N50 PolarHBondContact O-N 3.28Å; A46-N50 VanDerWaalsContact O-N 3.1Å; R47-N50 PolarHBondContact O-N 2.91Å; E48-N50 VanDerWaalsContact C-N 3.34Å; E48-N50 PolarHBondContact O-N 2.76Å; N50-V52 PolarHBondContact O-N 3.44Å; N50-R53 WeakPolarHBondContact O-CB 3.36Å; N50-R53 PolarHBondContact O-N 2.98Å; N50-R53 PolarHBondContact OD1-NH1 2.97Å; N50-R53 PolarHBondContact OD1-NH2 3.4Å; N50-Q54 PolarHBondContact O-N 3.12Å
51R98.5Very high96.7Very high129 Ų12992.2 Ų92.249%0.48745%0.45SS..Hα-helixtrans-58.3-48.1174.8-168.4-163.570.378.40.2111.5R47 E48 R53 Q54 V55R47-R51 PolarHBondContact O-N 3.29Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-R51 IonicContact OE1-CZ 3.7Å; E48-R51 IonicContact OE1-NE 2.8Å; E48-R51 PolarHBondContact OE1-NE 2.93Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.18Å; E48-R51 IonicContact OE2-CZ 3.87Å; E48-R51 IonicContact OE2-NE 2.69Å; E48-R51 PolarHBondContact OE2-NE 3.13Å; E48-R51 IonicContact OE2-NH2 3.41Å; R51-R53 VanDerWaalsContact C-N 3.33Å; R51-R53 PolarHBondContact O-N 3.22Å; R51-Q54 PolarHBondContact O-N 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.17Å; R51-V55 PolarHBondContact O-N 3.39Å; R51-V55 VanDerWaalsContact O-N 3.11Å
52V98.3Very high97Very high50 Ų5092.5 Ų92.530%0.30345%0.45SS..Hα-helixtrans-64.7-36.6177.9171.90000111.7E48 R49 N50 V55 N56E48-V52 HydrophobicContact CG-CG2 4.46Å; E48-V52 WeakPolarHBondContact O-CB 3.44Å; E48-V52 VanDerWaalsContact O-CG2 3.32Å; E48-V52 WeakPolarHBondContact O-CG2 3.36Å; E48-V52 PolarHBondContact O-N 3.07Å; E48-V52 WeakPolarHBondContact OE1-CG2 3.33Å; R49-V52 PolarHBondContact O-N 3.32Å; N50-V52 PolarHBondContact O-N 3.44Å; V52-V55 PolarHBondContact O-N 2.94Å; V52-N56 WeakPolarHBondContact O-CB 3.35Å; V52-N56 VanDerWaalsContact O-CG 3.26Å; V52-N56 PolarHBondContact O-N 2.87Å; V52-N56 PolarHBondContact O-ND2 2.99Å
53R98.3Very high97Very high152 Ų15292 Ų9257%0.57444%0.435SS*.Hα-helixtrans-59.5-47.9174.4-170-171.7-59.5151.24.1111R49 N50 R51 V55 N56 M57R49-R53 WeakPolarHBondContact O-CB 3.45Å; R49-R53 PolarHBondContact O-N 3.17Å; N50-R53 WeakPolarHBondContact O-CB 3.36Å; N50-R53 PolarHBondContact O-N 2.98Å; N50-R53 PolarHBondContact OD1-NH1 2.97Å; N50-R53 PolarHBondContact OD1-NH2 3.4Å; R51-R53 VanDerWaalsContact C-N 3.33Å; R51-R53 PolarHBondContact O-N 3.22Å; R53-V55 PolarHBondContact O-N 3.42Å; R53-N56 PolarHBondContact O-N 3.49Å; R53-M57 WeakPolarHBondContact O-CG 3.4Å; R53-M57 PolarHBondContact O-N 3.34Å
54Q98.1Very high96.9Very high147 Ų14791.6 Ų91.669%0.68744%0.443SS*.Hα-helixtrans-58.9-46.6176.8-70.1-179.930.400111.8N50 R51 N56 M57 G58N50-Q54 PolarHBondContact O-N 3.12Å; R51-Q54 PolarHBondContact O-N 3.28Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.49Å; Q54-M57 PolarHBondContact O-N 3Å; Q54-G58 PolarHBondContact O-N 3.45Å
55V98.2Very high96.9Very high63 Ų6390.2 Ų90.238%0.38244%0.443SS..Hα-helixtrans-58.5-44.2175.71730000111.2R51 V52 R53 M57 G58 F59R51-V55 WeakPolarHBondContact O-CG2 3.17Å; R51-V55 PolarHBondContact O-N 3.39Å; R51-V55 VanDerWaalsContact O-N 3.11Å; V52-V55 PolarHBondContact O-N 2.94Å; R53-V55 PolarHBondContact O-N 3.42Å; V55-M57 VanDerWaalsContact C-N 3.34Å; V55-M57 PolarHBondContact O-N 2.88Å; V55-G58 PolarHBondContact O-N 3.26Å; V55-F59 HydrophobicContact CG1-CD2 4.07Å; V55-F59 HydrophobicContact CG1-CE2 3.91Å; V55-F59 WeakPolarHBondContact O-CD2 3.37Å; V55-F59 PolarHBondContact O-N 2.87Å; V55-F59 VanDerWaalsContact O-N 3.1Å
56N98.1Very high96.6Very high58 Ų5886.3 Ų86.331%0.3142%0.422SS..Hα-helixtrans-67-33.7179.6-72-19.5000112.6V52 R53 Q54 G58 F59 V60 K77V52-N56 WeakPolarHBondContact O-CB 3.35Å; V52-N56 VanDerWaalsContact O-CG 3.26Å; V52-N56 PolarHBondContact O-N 2.87Å; V52-N56 PolarHBondContact O-ND2 2.99Å; R53-N56 PolarHBondContact O-N 3.49Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.49Å; N56-G58 VanDerWaalsContact C-N 3.35Å; N56-F59 WeakPolarHBondContact O-CB 3.47Å; N56-F59 PolarHBondContact O-N 3.17Å; N56-V60 PolarHBondContact O-N 2.95Å; N56-V60 VanDerWaalsContact O-N 3.16Å; N56-K77 WeakPolarHBondContact OD1-CE 3.34Å; N56-K77 PolarHBondContact OD1-NZ 3.1Å
57M97.8Very high96.3Very high106 Ų10686 Ų8652%0.52242%0.415SS..Hα-helixtrans-63.3-41.4171-67.1-59.892.400111.2R53 Q54 V55 F59 V60 T61R53-M57 WeakPolarHBondContact O-CG 3.4Å; R53-M57 PolarHBondContact O-N 3.34Å; Q54-M57 PolarHBondContact O-N 3Å; V55-M57 VanDerWaalsContact C-N 3.34Å; V55-M57 PolarHBondContact O-N 2.88Å; M57-F59 VanDerWaalsContact C-N 3.28Å; M57-F59 PolarHBondContact O-N 3.03Å; M57-V60 HydrophobicContact CE-CG2 4.17Å; M57-V60 WeakPolarHBondContact O-CA 3.34Å; M57-V60 WeakPolarHBondContact O-CB 2.98Å; M57-V60 PolarHBondContact O-N 2.92Å; M57-T61 PolarHBondContact O-N 2.95Å; M57-T61 PolarHBondContact O-OG1 2.85Å
58G97.6Very high95.4Very high43 Ų4384.2 Ų84.244%0.44341%0.413SS..Hα-helixtrans-57.2-39.3172.100000113.2Q54 V55 N56 V60 L62Q54-G58 PolarHBondContact O-N 3.45Å; V55-G58 PolarHBondContact O-N 3.26Å; N56-G58 VanDerWaalsContact C-N 3.35Å; G58-V60 VanDerWaalsContact C-N 3.3Å; G58-V60 PolarHBondContact O-N 3.05Å; G58-L62 WeakPolarHBondContact O-CB 3.37Å; G58-L62 PolarHBondContact O-N 3.48Å
59F97.2Very high93.6Very high35 Ų3583.5 Ų83.515%0.15441%0.409CS..Hα-helixtrans-66.1-28.1172.5-85.8-82.7000113.5V55 N56 M57 R63 K77 T80 L81V55-F59 HydrophobicContact CG1-CD2 4.07Å; V55-F59 HydrophobicContact CG1-CE2 3.91Å; V55-F59 WeakPolarHBondContact O-CD2 3.37Å; V55-F59 PolarHBondContact O-N 2.87Å; V55-F59 VanDerWaalsContact O-N 3.1Å; N56-F59 WeakPolarHBondContact O-CB 3.47Å; N56-F59 PolarHBondContact O-N 3.17Å; M57-F59 VanDerWaalsContact C-N 3.28Å; M57-F59 PolarHBondContact O-N 3.03Å; F59-R63 VanDerWaalsContact C-NH1 3.33Å; F59-R63 VanDerWaalsContact O-CG 3.28Å; F59-R63 WeakPolarHBondContact O-CG 3.41Å; F59-R63 PolarHBondContact O-N 3.49Å; F59-R63 PolarHBondContact O-NH1 2.77Å; F59-K77 HydrophobicContact CD1-CB 4.33Å; F59-K77 HydrophobicContact CD1-CG 4.11Å; F59-K77 HydrophobicContact CD2-CG 4.47Å; F59-K77 HydrophobicContact CE1-CB 3.72Å; F59-K77 HydrophobicContact CE1-CG 3.87Å; F59-K77 HydrophobicContact CE2-CD 4.09Å; F59-K77 HydrophobicContact CE2-CG 4.27Å; F59-K77 HydrophobicContact CG-CG 4.41Å; F59-K77 HydrophobicContact CZ-CB 3.95Å; F59-K77 HydrophobicContact CZ-CD 4.09Å; F59-K77 HydrophobicContact CZ-CG 3.96Å; F59-T80 HydrophobicContact CD1-CG2 4.13Å; F59-L81 HydrophobicContact CE1-CD2 4.22Å; F59-L81 HydrophobicContact CE1-CG 4.08Å; F59-L81 HydrophobicContact CZ-CD1 4.49Å; F59-L81 HydrophobicContact CZ-CD2 4.49Å; F59-L81 HydrophobicContact CZ-CG 4.48Å
60V94.7Very high91.6Very high60 Ų6078.3 Ų78.336%0.36442%0.415SS..Hα-helixtrans-70.9-53.9174.8175.80000109.3N56 M57 G58 L62 R63 D64N56-V60 PolarHBondContact O-N 2.95Å; N56-V60 VanDerWaalsContact O-N 3.16Å; M57-V60 HydrophobicContact CE-CG2 4.17Å; M57-V60 WeakPolarHBondContact O-CA 3.34Å; M57-V60 WeakPolarHBondContact O-CB 2.98Å; M57-V60 PolarHBondContact O-N 2.92Å; G58-V60 VanDerWaalsContact C-N 3.3Å; G58-V60 PolarHBondContact O-N 3.05Å; V60-L62 PolarHBondContact O-N 3.14Å; V60-R63 WeakPolarHBondContact O-CA 3.32Å; V60-R63 WeakPolarHBondContact O-CB 3.22Å; V60-R63 PolarHBondContact O-N 2.84Å; V60-D64 PolarHBondContact O-N 3.1Å; V60-D64 VanDerWaalsContact O-N 3.15Å
61T95.8Very high89.8Confident77 Ų7781.2 Ų81.247%0.47242%0.424SS..Hα-helixtrans-54.7-42176.6-52.50000111.9M57 R63 D64 H65M57-T61 PolarHBondContact O-N 2.95Å; M57-T61 PolarHBondContact O-OG1 2.85Å; T61-R63 VanDerWaalsContact C-N 3.29Å; T61-R63 PolarHBondContact O-N 3.44Å; T61-D64 PolarHBondContact O-N 2.99Å; T61-H65 PolarHBondContact O-CD2 3.31Å; T61-H65 PolarHBondContact O-N 3.04Å
62L96.1Very high88.2Confident57 Ų5781.3 Ų81.330%0.29845%0.445SS..Hα-helixtrans-61.6-36.7176.4-177.657.6000112.6G58 V60 H65 I66 T80 L81 A84G58-L62 WeakPolarHBondContact O-CB 3.37Å; G58-L62 PolarHBondContact O-N 3.48Å; V60-L62 PolarHBondContact O-N 3.14Å; L62-H65 PolarHBondContact O-N 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.33Å; L62-T80 HydrophobicContact CB-CG2 4.23Å; L62-T80 HydrophobicContact CD2-CG2 3.68Å; L62-T80 HydrophobicContact CG-CG2 3.77Å; L62-L81 HydrophobicContact CD2-CD2 4.42Å; L62-A84 HydrophobicContact CD1-CB 3.84Å; L62-A84 HydrophobicContact CD2-CB 4.19Å; L62-A84 HydrophobicContact CG-CB 4.26Å
63R93.9Very high87.4Confident47 Ų4785 Ų8518%0.17746%0.456CS..Hα-helixtrans-67.3-37.8176.6-72.1175.1-161.8107.7-5.9111.7F59 V60 T61 H65 I66 H68 L75 T80F59-R63 VanDerWaalsContact C-NH1 3.33Å; F59-R63 VanDerWaalsContact O-CG 3.28Å; F59-R63 WeakPolarHBondContact O-CG 3.41Å; F59-R63 PolarHBondContact O-N 3.49Å; F59-R63 PolarHBondContact O-NH1 2.77Å; V60-R63 WeakPolarHBondContact O-CA 3.32Å; V60-R63 WeakPolarHBondContact O-CB 3.22Å; V60-R63 PolarHBondContact O-N 2.84Å; T61-R63 VanDerWaalsContact C-N 3.29Å; T61-R63 PolarHBondContact O-N 3.44Å; R63-H65 PolarHBondContact O-N 3.27Å; R63-I66 PolarHBondContact O-N 3.29Å; R63-H68 PolarHBondContact O-CE1 3.23Å; R63-L75 HydrophobicContact CG-CB 4.49Å; R63-L75 PolarHBondContact NE-O 2.68Å; R63-L75 PolarHBondContact NH2-O 2.79Å; R63-L75 VanDerWaalsContact NH2-O 3.1Å; R63-T80 HydrophobicContact CG-CG2 3.78Å; R63-T80 PolarHBondContact NE-OG1 3.1Å
64D92.9Very high86.8Confident116 Ų11686.6 Ų86.662%0.6247%0.468SS*.Hα-helixtrans-61.4-26.3179.7-60.3-24.6000112.4V60 T61V60-D64 PolarHBondContact O-N 3.1Å; V60-D64 VanDerWaalsContact O-N 3.15Å; T61-D64 PolarHBondContact O-N 2.99Å
65H93.5Very high86.4Confident130 Ų13079.8 Ų79.860%0.60244%0.436SS*.THydrogen-bonded Turntrans-89.3-8.4176.8-66.6-60.4000115T61 L62 R63 Y87T61-H65 PolarHBondContact O-CD2 3.31Å; T61-H65 PolarHBondContact O-N 3.04Å; L62-H65 PolarHBondContact O-N 3.25Å; R63-H65 PolarHBondContact O-N 3.27Å; H65-Y87 VanDerWaalsContact O-CE1 3.32Å; H65-Y87 WeakPolarHBondContact O-CE1 3.36Å
66I92.1Very high86.2Confident4 Ų479.3 Ų79.32%0.02144%0.435CS..SBendtrans-86.3123.5176-64.8165000107.6L62 R63 H68 L75 T80 A83 A84 Y108L62-I66 WeakPolarHBondContact O-CG1 3.33Å; R63-I66 PolarHBondContact O-N 3.29Å; I66-H68 PolarHBondContact O-CE1 3.41Å; I66-H68 VanDerWaalsContact O-CE1 3.29Å; I66-H68 PolarHBondContact O-N 3.46Å; I66-H68 PolarHBondContact O-ND1 3.09Å; I66-H68 VanDerWaalsContact O-ND1 3.09Å; I66-L75 HydrophobicContact CD1-CD1 4.12Å; I66-L75 HydrophobicContact CG2-CD1 4.47Å; I66-T80 HydrophobicContact CD1-CG2 3.85Å; I66-A83 HydrophobicContact CD1-CB 3.91Å; I66-A83 HydrophobicContact CG2-CB 3.98Å; I66-A84 HydrophobicContact CD1-CB 4.27Å; I66-Y108 HydrophobicContact CG2-CD1 4.44Å; I66-Y108 HydrophobicContact CG2-CD2 4.28Å; I66-Y108 HydrophobicContact CG2-CE1 4.42Å; I66-Y108 HydrophobicContact CG2-CE2 4.25Å; I66-Y108 HydrophobicContact CG2-CG 4.4Å
67P89.5Confident86.1Confident40 Ų4081.1 Ų81.126%0.2644%0.441SS..  trans-56.9127176.4-2433.1000110.5Y87 M105 Y108P67-Y87 HydrophobicContact CG-CD1 4.4Å; P67-Y87 HydrophobicContact CG-CD2 3.85Å; P67-Y87 HydrophobicContact CG-CE1 3.96Å; P67-Y87 HydrophobicContact CG-CE2 3.37Å; P67-Y87 HydrophobicContact CG-CG 4.34Å; P67-Y87 VanDerWaalsContact CG-CZ 3.42Å; P67-M105 HydrophobicContact CB-SD 4.2Å; P67-M105 HydrophobicContact CG-SD 4.3Å; P67-Y108 WeakPolarHBondContact O-CE1 3.47Å; P67-Y108 PolarHBondContact O-OH 3.29Å; P67-Y108 VanDerWaalsContact O-OH 3.1Å
68H78.2Confident85.9Confident103 Ų10380 Ų8048%0.47744%0.439SS..  trans-94.4110.4-177.5-65.193.9000111.8R63 I66 G70 Y108R63-H68 PolarHBondContact O-CE1 3.23Å; I66-H68 PolarHBondContact O-CE1 3.41Å; I66-H68 VanDerWaalsContact O-CE1 3.29Å; I66-H68 PolarHBondContact O-N 3.46Å; I66-H68 PolarHBondContact O-ND1 3.09Å; I66-H68 VanDerWaalsContact O-ND1 3.09Å; H68-G70 VanDerWaalsContact C-N 3.29Å; H68-G70 PolarHBondContact O-N 3.35Å; H68-Y108 WeakPolarHBondContact CA-OH 3.46Å
69H59.4Low85.6Confident72 Ų7280.7 Ų80.733%0.33343%0.431SS..  trans-77.276169.8-51.1-41.5000110.9K71 M105 P106 Y108H69-K71 PolarHBondContact O-N 3.42Å; H69-M105 PolarHBondContact CE1-SD 3.4Å; H69-M105 PolarHBondContact NE2-SD 3.04Å; H69-P106 PolarHBondContact NE2-O 2.94Å; H69-Y108 HydrophobicContact CB-CE1 4.38Å; H69-Y108 AromaticContact CD2-CD1 3.52Å; H69-Y108 AromaticContact CD2-CE1 2.98Å; H69-Y108 WeakPolarHBondContact CD2-CE1 3.21Å; H69-Y108 AromaticContact CD2-CZ 3.77Å; H69-Y108 AromaticContact CE1-CE1 3.86Å; H69-Y108 AromaticContact CG-CE1 3.61Å; H69-Y108 PolarHBondContact N-OH 3.03Å; H69-Y108 AromaticContact NE2-CD1 3.4Å; H69-Y108 WeakPolarHBondContact NE2-CD1 3.43Å; H69-Y108 AromaticContact NE2-CE1 3.17Å; H69-Y108 WeakPolarHBondContact NE2-CE1 3.42Å
70G56.4Low85.4Confident81 Ų8179 Ų7984%0.83542%0.424SS*.SBendtrans63.812.315700000117.8H68H68-G70 VanDerWaalsContact C-N 3.29Å; H68-G70 PolarHBondContact O-N 3.35Å
71K60.5Low85.5Confident136 Ų13680.8 Ų80.859%0.59143%0.431SS*.  trans-125.5114.2176.6-63.6178.2-174.61760108.7H69 K73H69-K71 PolarHBondContact O-N 3.42Å; K71-K73 HydrophobicContact CB-CB 4.44Å; K71-K73 PolarHBondContact O-N 2.94Å
72S66.5Low85.3Confident131 Ų13182.2 Ų82.292%0.91643%0.428SS*.  trans-63.415.2172.461.50000114K74S72-K74 PolarHBondContact O-N 3.03Å
73K80Confident85.1Confident126 Ų12679.6 Ų79.655%0.54841%0.414SS..PPolyproline II helixtrans-73.4119.6-178.8-171.2-175.3178.5-164.20109K71 L75 E79K71-K73 HydrophobicContact CB-CB 4.44Å; K71-K73 PolarHBondContact O-N 2.94Å; K73-L75 PolarHBondContact O-N 2.95Å; K73-E79 IonicContact NZ-OE1 3.21Å
74K86.6Confident85.2Confident186 Ų18678 Ų7881%0.80941%0.411SS*.PPolyproline II helixtrans-62.8117.9171.9-58.5178.392.3168.20109.1S72S72-K74 PolarHBondContact O-N 3.03Å
75L90.1Very high85.2Confident4 Ų474.4 Ų74.42%0.02140%0.397CS..PPolyproline II helixtrans-64.4134.6175.7-63.8177.7000111.2R63 I66 K73 E79 T80 A83 Y108 M109R63-L75 HydrophobicContact CG-CB 4.49Å; R63-L75 PolarHBondContact NE-O 2.68Å; R63-L75 PolarHBondContact NH2-O 2.79Å; R63-L75 VanDerWaalsContact NH2-O 3.1Å; I66-L75 HydrophobicContact CD1-CD1 4.12Å; I66-L75 HydrophobicContact CG2-CD1 4.47Å; K73-L75 PolarHBondContact O-N 2.95Å; L75-E79 HydrophobicContact CB-CB 4.23Å; L75-E79 HydrophobicContact CD2-CB 4.1Å; L75-T80 VanDerWaalsContact CB-OG1 3.28Å; L75-T80 WeakPolarHBondContact CB-OG1 3.22Å; L75-A83 HydrophobicContact CD1-CB 4.33Å; L75-Y108 HydrophobicContact CD1-CE2 4.37Å; L75-Y108 HydrophobicContact CD2-CE2 4.37Å; L75-M109 HydrophobicContact CD2-CE 3.5Å; L75-M109 VanDerWaalsContact CD2-CE 3.5Å; L75-M109 HydrophobicContact CD2-SD 3.41Å; L75-M109 WeakPolarHBondContact CD2-SD 3.45Å
76S93.4Very high85.1Confident53 Ų5368.8 Ų68.837%0.37137%0.372SS..PPolyproline II helixtrans-63.7164.3167.469.40000111.2V78 E79 T80S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 2.99Å; S76-E79 WeakPolarHBondContact CB-OE2 3.37Å; S76-E79 PolarHBondContact N-OE2 3.19Å; S76-E79 PolarHBondContact O-N 3.27Å; S76-E79 WeakPolarHBondContact OG-CB 3.16Å; S76-E79 VanDerWaalsContact OG-CD 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.28Å; S76-E79 PolarHBondContact OG-N 3.18Å; S76-E79 PolarHBondContact OG-OE2 3.03Å; S76-T80 WeakPolarHBondContact O-CB 2.83Å; S76-T80 PolarHBondContact O-N 3.47Å; S76-T80 PolarHBondContact O-OG1 3.29Å
77K95.2Very high85.3Confident97 Ų9771.5 Ų71.542%0.42238%0.383SS..Hα-helixtrans-55.7-43.9-179.9-69.8-174.1174.4-1740112.3N56 F59 L81N56-K77 WeakPolarHBondContact OD1-CE 3.34Å; N56-K77 PolarHBondContact OD1-NZ 3.1Å; F59-K77 HydrophobicContact CD1-CB 4.33Å; F59-K77 HydrophobicContact CD1-CG 4.11Å; F59-K77 HydrophobicContact CD2-CG 4.47Å; F59-K77 HydrophobicContact CE1-CB 3.72Å; F59-K77 HydrophobicContact CE1-CG 3.87Å; F59-K77 HydrophobicContact CE2-CD 4.09Å; F59-K77 HydrophobicContact CE2-CG 4.27Å; F59-K77 HydrophobicContact CG-CG 4.41Å; F59-K77 HydrophobicContact CZ-CB 3.95Å; F59-K77 HydrophobicContact CZ-CD 4.09Å; F59-K77 HydrophobicContact CZ-CG 3.96Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 2.99Å; K77-L81 VanDerWaalsContact O-N 3.14Å
78V94.4Very high85.5Confident81 Ų8174.1 Ų74.149%0.49139%0.394SS..Hα-helixtrans-69.2-43.8-180177.80000110.8S76 T80 L81 R82S76-V78 VanDerWaalsContact C-N 3.29Å; S76-V78 PolarHBondContact O-N 2.99Å; V78-T80 PolarHBondContact O-N 3.21Å; V78-L81 PolarHBondContact O-N 2.81Å; V78-R82 HydrophobicContact CG1-CG 4.45Å; V78-R82 WeakPolarHBondContact O-CG 3.47Å; V78-R82 PolarHBondContact O-N 2.93Å
79E91.8Very high86.2Confident59 Ų5973.7 Ų73.728%0.27639%0.388SS..Hα-helixtrans-61.6-42.7176.2-70.6164.9135.800111.4K73 L75 S76 L81 R82 A83K73-E79 IonicContact NZ-OE1 3.21Å; L75-E79 HydrophobicContact CB-CB 4.23Å; L75-E79 HydrophobicContact CD2-CB 4.1Å; S76-E79 WeakPolarHBondContact CB-OE2 3.37Å; S76-E79 PolarHBondContact N-OE2 3.19Å; S76-E79 PolarHBondContact O-N 3.27Å; S76-E79 WeakPolarHBondContact OG-CB 3.16Å; S76-E79 VanDerWaalsContact OG-CD 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.28Å; S76-E79 PolarHBondContact OG-N 3.18Å; S76-E79 PolarHBondContact OG-OE2 3.03Å; E79-L81 PolarHBondContact O-N 3.07Å; E79-R82 PolarHBondContact O-N 3.23Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 3.16Å
80T92.8Very high87.7Confident0 Ų071.9 Ų71.90%038%0.378CS..Hα-helixtrans-58.3-46176-59.40000111.6F59 L62 R63 I66 L75 S76 V78 A83 A84F59-T80 HydrophobicContact CD1-CG2 4.13Å; L62-T80 HydrophobicContact CB-CG2 4.23Å; L62-T80 HydrophobicContact CD2-CG2 3.68Å; L62-T80 HydrophobicContact CG-CG2 3.77Å; R63-T80 HydrophobicContact CG-CG2 3.78Å; R63-T80 PolarHBondContact NE-OG1 3.1Å; I66-T80 HydrophobicContact CD1-CG2 3.85Å; L75-T80 VanDerWaalsContact CB-OG1 3.28Å; L75-T80 WeakPolarHBondContact CB-OG1 3.22Å; S76-T80 WeakPolarHBondContact O-CB 2.83Å; S76-T80 PolarHBondContact O-N 3.47Å; S76-T80 PolarHBondContact O-OG1 3.29Å; V78-T80 PolarHBondContact O-N 3.21Å; T80-A83 PolarHBondContact O-N 3.31Å; T80-A84 WeakPolarHBondContact O-CB 3.28Å; T80-A84 PolarHBondContact O-N 3.31Å
81L96.1Very high89.4Confident97 Ų9770.9 Ų70.951%0.50835%0.354SS..Hα-helixtrans-65.1-43.9178.9-67.7173.5000112.1F59 L62 K77 V78 E79 A84 A85F59-L81 HydrophobicContact CE1-CD2 4.22Å; F59-L81 HydrophobicContact CE1-CG 4.08Å; F59-L81 HydrophobicContact CZ-CD1 4.49Å; F59-L81 HydrophobicContact CZ-CD2 4.49Å; F59-L81 HydrophobicContact CZ-CG 4.48Å; L62-L81 HydrophobicContact CD2-CD2 4.42Å; K77-L81 WeakPolarHBondContact O-CG 3.41Å; K77-L81 PolarHBondContact O-N 2.99Å; K77-L81 VanDerWaalsContact O-N 3.14Å; V78-L81 PolarHBondContact O-N 2.81Å; E79-L81 PolarHBondContact O-N 3.07Å; L81-A84 PolarHBondContact O-N 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.35Å
82R92.5Very high91Very high107 Ų10769.6 Ų69.640%0.40435%0.35SS..Hα-helixtrans-62.7-44.5177.8-71.4-179.3-173.4-178.26.4111.7V78 E79 A85 S86 L111V78-R82 HydrophobicContact CG1-CG 4.45Å; V78-R82 WeakPolarHBondContact O-CG 3.47Å; V78-R82 PolarHBondContact O-N 2.93Å; E79-R82 PolarHBondContact O-N 3.23Å; R82-A85 PolarHBondContact O-N 3.03Å; R82-S86 WeakPolarHBondContact O-CB 3.48Å; R82-S86 PolarHBondContact O-N 3.43Å; R82-L111 HydrophobicContact CB-CD1 3.87Å; R82-L111 PolarHBondContact NH1-O 2.92Å
83A92Very high92.1Very high1 Ų169 Ų691%0.00833%0.332CS..Hα-helixtrans-64.2-45.4178.600000112.2I66 L75 E79 T80 S86 Y87 Y108I66-A83 HydrophobicContact CD1-CB 3.91Å; I66-A83 HydrophobicContact CG2-CB 3.98Å; L75-A83 HydrophobicContact CD1-CB 4.33Å; E79-A83 WeakPolarHBondContact O-CB 3.47Å; E79-A83 PolarHBondContact O-N 3.16Å; T80-A83 PolarHBondContact O-N 3.31Å; A83-S86 PolarHBondContact O-N 3.15Å; A83-Y87 WeakPolarHBondContact O-CB 3.45Å; A83-Y87 PolarHBondContact O-N 2.91Å; A83-Y108 HydrophobicContact CB-CD2 3.7Å; A83-Y108 HydrophobicContact CB-CG 3.88Å
84A94.7Very high92.5Very high14 Ų1465.9 Ų65.912%0.11632%0.321CS..Hα-helixtrans-59.5-48.4175.700000112.1L62 I66 T80 L81 S86 Y87 I88L62-A84 HydrophobicContact CD1-CB 3.84Å; L62-A84 HydrophobicContact CD2-CB 4.19Å; L62-A84 HydrophobicContact CG-CB 4.26Å; I66-A84 HydrophobicContact CD1-CB 4.27Å; T80-A84 WeakPolarHBondContact O-CB 3.28Å; T80-A84 PolarHBondContact O-N 3.31Å; L81-A84 PolarHBondContact O-N 3.27Å; A84-S86 VanDerWaalsContact C-N 3.32Å; A84-S86 PolarHBondContact O-N 3.36Å; A84-Y87 PolarHBondContact O-N 3.14Å; A84-Y87 VanDerWaalsContact O-N 3.17Å; A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 3.13Å
85A94.3Very high92.7Very high41 Ų4164 Ų6434%0.33932%0.32SS..Hα-helixtrans-61.5-39.9177.700000112.3L81 R82 Y87 R89L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.35Å; R82-A85 PolarHBondContact O-N 3.03Å; A85-Y87 VanDerWaalsContact C-N 3.35Å; A85-R89 WeakPolarHBondContact O-CG 3.44Å; A85-R89 PolarHBondContact O-N 3.2Å
86S91.9Very high92.7Very high11 Ų1168.8 Ų68.88%0.07735%0.353CS..Hα-helixtrans-66.3-38175.4-166.30000112.4R82 A83 A84 Y90R82-S86 WeakPolarHBondContact O-CB 3.48Å; R82-S86 PolarHBondContact O-N 3.43Å; A83-S86 PolarHBondContact O-N 3.15Å; A84-S86 VanDerWaalsContact C-N 3.32Å; A84-S86 PolarHBondContact O-N 3.36Å; S86-Y90 PolarHBondContact O-N 3.34Å; S86-Y90 VanDerWaalsContact O-N 3.07Å
87Y94.5Very high92.2Very high62 Ų6268.4 Ų68.424%0.24335%0.353CS..Hα-helixtrans-69.2-41.9179.7-175.7-134.1000111.7H65 P67 A83 A84 A85 R89 Y90 L91 M105H65-Y87 VanDerWaalsContact O-CE1 3.32Å; H65-Y87 WeakPolarHBondContact O-CE1 3.36Å; P67-Y87 HydrophobicContact CG-CD1 4.4Å; P67-Y87 HydrophobicContact CG-CD2 3.85Å; P67-Y87 HydrophobicContact CG-CE1 3.96Å; P67-Y87 HydrophobicContact CG-CE2 3.37Å; P67-Y87 HydrophobicContact CG-CG 4.34Å; P67-Y87 VanDerWaalsContact CG-CZ 3.42Å; A83-Y87 WeakPolarHBondContact O-CB 3.45Å; A83-Y87 PolarHBondContact O-N 2.91Å; A84-Y87 PolarHBondContact O-N 3.14Å; A84-Y87 VanDerWaalsContact O-N 3.17Å; A85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-R89 PolarHBondContact O-N 2.98Å; Y87-Y90 HydrophobicContact CD2-CD1 4Å; Y87-Y90 HydrophobicContact CE2-CD1 4.03Å; Y87-Y90 HydrophobicContact CE2-CE1 4.43Å; Y87-Y90 WeakPolarHBondContact O-CB 3.32Å; Y87-Y90 PolarHBondContact O-N 2.97Å; Y87-L91 HydrophobicContact CD1-CD1 4.14Å; Y87-L91 HydrophobicContact CD2-CD1 4.45Å; Y87-L91 HydrophobicContact CD2-CG 4.16Å; Y87-L91 HydrophobicContact CE1-CD1 3.77Å; Y87-L91 HydrophobicContact CE1-CG 4.42Å; Y87-L91 HydrophobicContact CE2-CD1 4.09Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.83Å; Y87-L91 HydrophobicContact CG-CD1 4.47Å; Y87-L91 WeakPolarHBondContact O-CG 3.39Å; Y87-L91 PolarHBondContact O-N 3.03Å; Y87-M105 HydrophobicContact CD2-CE 4.08Å
88I94.9Very high90.9Very high94 Ų9467 Ų6748%0.48237%0.366SS..Hα-helixtrans-56-50.8174-68.4165.9000110.6A84 Y90 L91 E92A84-I88 WeakPolarHBondContact O-CG1 3.39Å; A84-I88 PolarHBondContact O-N 3.13Å; I88-Y90 VanDerWaalsContact C-N 3.29Å; I88-Y90 PolarHBondContact O-N 3.46Å; I88-L91 PolarHBondContact O-N 2.69Å; I88-L91 VanDerWaalsContact O-N 3.13Å; I88-E92 HydrophobicContact CG2-CG 4.41Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.8Å
89R92.6Very high89.5Confident94 Ų9470.9 Ų70.936%0.35538%0.384SS..Hα-helixtrans-60.2-38.3178-68.9-172.9-58.4-119.81.4113.3A85 Y87 E92 Q93A85-R89 WeakPolarHBondContact O-CG 3.44Å; A85-R89 PolarHBondContact O-N 3.2Å; Y87-R89 PolarHBondContact O-N 2.98Å; R89-E92 PolarHBondContact O-N 3.03Å; R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.48Å; R89-Q93 PolarHBondContact O-N 3.29Å
90Y91.1Very high87.9Confident35 Ų3570.2 Ų70.214%0.13739%0.389CS..Hα-helixtrans-63.2-45.2175.7166.4-99.8000111.4S86 Y87 I88 Q93 L94 L103 M105 P106S86-Y90 PolarHBondContact O-N 3.34Å; S86-Y90 VanDerWaalsContact O-N 3.07Å; Y87-Y90 HydrophobicContact CD2-CD1 4Å; Y87-Y90 HydrophobicContact CE2-CD1 4.03Å; Y87-Y90 HydrophobicContact CE2-CE1 4.43Å; Y87-Y90 WeakPolarHBondContact O-CB 3.32Å; Y87-Y90 PolarHBondContact O-N 2.97Å; I88-Y90 VanDerWaalsContact C-N 3.29Å; I88-Y90 PolarHBondContact O-N 3.46Å; Y90-Q93 PolarHBondContact O-N 2.9Å; Y90-L94 HydrophobicContact CE1-CD2 4.27Å; Y90-L94 WeakPolarHBondContact O-CB 3.4Å; Y90-L94 PolarHBondContact O-N 3.36Å; Y90-L103 HydrophobicContact CD2-CB 4.49Å; Y90-L103 HydrophobicContact CE2-CB 3.73Å; Y90-L103 PolarHBondContact OH-O 2.95Å; Y90-M105 HydrophobicContact CD1-CG 4.25Å; Y90-M105 HydrophobicContact CE1-CG 3.97Å; Y90-P106 HydrophobicContact CD2-CG 4.26Å; Y90-P106 HydrophobicContact CG-CG 4.25Å
91L92.1Very high86.3Confident60 Ų6074 Ų7431%0.31443%0.427SS..Hα-helixtrans-63-42176.3-66176.8000111.5Y87 I88 Q93 L94 L95Y87-L91 HydrophobicContact CD1-CD1 4.14Å; Y87-L91 HydrophobicContact CD2-CD1 4.45Å; Y87-L91 HydrophobicContact CD2-CG 4.16Å; Y87-L91 HydrophobicContact CE1-CD1 3.77Å; Y87-L91 HydrophobicContact CE1-CG 4.42Å; Y87-L91 HydrophobicContact CE2-CD1 4.09Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.83Å; Y87-L91 HydrophobicContact CG-CD1 4.47Å; Y87-L91 WeakPolarHBondContact O-CG 3.39Å; Y87-L91 PolarHBondContact O-N 3.03Å; I88-L91 PolarHBondContact O-N 2.69Å; I88-L91 VanDerWaalsContact O-N 3.13Å; L91-Q93 PolarHBondContact O-N 3.23Å; L91-L94 PolarHBondContact O-N 3.47Å; L91-L95 WeakPolarHBondContact O-CB 3.41Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 3.48Å
92E92.9Very high84.7Confident109 Ų10977.9 Ų77.951%0.50944%0.443SS..Hα-helixtrans-59-44.4175.1-70.8170.3161.300112.1I88 R89 S96I88-E92 HydrophobicContact CG2-CG 4.41Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.8Å; R89-E92 PolarHBondContact O-N 3.03Å; E92-S96 WeakPolarHBondContact O-CB 3.5Å; E92-S96 PolarHBondContact O-N 2.91Å; E92-S96 PolarHBondContact O-OG 3.2Å
93Q89.6Confident83.6Confident117 Ų11775.9 Ų75.955%0.54744%0.44SS..Hα-helixtrans-65.4-42.3176.5-72.21721200111.9R89 Y90 L91 S96 A97 L103R89-Q93 VanDerWaalsContact O-CG 3.3Å; R89-Q93 WeakPolarHBondContact O-CG 3.48Å; R89-Q93 PolarHBondContact O-N 3.29Å; Y90-Q93 PolarHBondContact O-N 2.9Å; L91-Q93 PolarHBondContact O-N 3.23Å; Q93-S96 PolarHBondContact O-N 3.46Å; Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.9Å; Q93-L103 HydrophobicContact CB-CD1 4Å
94L89.9Confident82.7Confident61 Ų6184.5 Ų84.532%0.31948%0.48SS..Hα-helixtrans-63.5-43.5178.6-174.264.1000111.6Y90 L91 S96 A97 L103Y90-L94 HydrophobicContact CE1-CD2 4.27Å; Y90-L94 WeakPolarHBondContact O-CB 3.4Å; Y90-L94 PolarHBondContact O-N 3.36Å; L91-L94 PolarHBondContact O-N 3.47Å; L94-S96 VanDerWaalsContact C-N 3.34Å; L94-A97 PolarHBondContact O-N 3.18Å; L94-L103 HydrophobicContact CB-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CB 4.45Å; L94-L103 HydrophobicContact CD1-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CG 4.47Å
95L91Very high81.7Confident148 Ų14886.1 Ų86.178%0.77549%0.486SS*.Hα-helixtrans-66.3-35.3176-68.7172.1000112.2L91L91-L95 WeakPolarHBondContact O-CB 3.41Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 3.48Å
96S89.5Confident80.6Confident104 Ų10486.2 Ų86.273%0.72748%0.483SS*.Hα-helixtrans-73.9-27.5178-57.50000113E92 Q93 L94 G98E92-S96 WeakPolarHBondContact O-CB 3.5Å; E92-S96 PolarHBondContact O-N 2.91Å; E92-S96 PolarHBondContact O-OG 3.2Å; Q93-S96 PolarHBondContact O-N 3.46Å; L94-S96 VanDerWaalsContact C-N 3.34Å; S96-G98 PolarHBondContact O-N 2.91Å
97A82.1Confident79.7Confident45 Ų4590.1 Ų90.137%0.37250%0.503SS..THydrogen-bonded Turntrans-78.41.3-17700000114.2Q93 L94 D99 A100Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.9Å; L94-A97 PolarHBondContact O-N 3.18Å; A97-D99 PolarHBondContact O-N 3.37Å; A97-A100 HydrophobicContact CB-CB 3.84Å; A97-A100 PolarHBondContact O-N 3.47Å
98G69.2Low78.5Confident67 Ų6787.5 Ų87.569%0.69149%0.493SS*.THydrogen-bonded Turntrans70.7-37.6164.900000117S96S96-G98 PolarHBondContact O-N 2.91Å
99D64.8Low77Confident162 Ų16285.5 Ų85.587%0.86648%0.482SS*.THydrogen-bonded Turntrans-17014.2177-125-16.8000113.1A97 G101A97-D99 PolarHBondContact O-N 3.37Å; D99-G101 PolarHBondContact O-N 3.11Å
100A56.9Low75.5Confident46 Ų4686.7 Ų86.738%0.3850%0.495SS..  trans-79.181.5-175.800000111.6A97 Q102A97-A100 HydrophobicContact CB-CB 3.84Å; A97-A100 PolarHBondContact O-N 3.47Å; A100-Q102 PolarHBondContact O-N 3.31Å
101G59.9Low74Confident78 Ų7887.2 Ų87.280%0.80450%0.5SS*.THydrogen-bonded Turntrans-63.433.8174.800000116.1D99D99-G101 PolarHBondContact O-N 3.11Å
102Q62Low72.1Confident180 Ų18091.6 Ų91.684%0.84152%0.524SS*.THydrogen-bonded Turntrans-135.39.3-177.3-75.8-174.512.100115.2A100 Q104A100-Q102 PolarHBondContact O-N 3.31Å; Q102-Q104 PolarHBondContact O-N 3.2Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å
103L70Confident70Confident65 Ų6594.6 Ų94.634%0.3454%0.538SS..PPolyproline II helixtrans-68.6117.6170.6-62-175.2000109.6Y90 Q93 L94 M105Y90-L103 HydrophobicContact CD2-CB 4.49Å; Y90-L103 HydrophobicContact CE2-CB 3.73Å; Y90-L103 PolarHBondContact OH-O 2.95Å; Q93-L103 HydrophobicContact CB-CD1 4Å; L94-L103 HydrophobicContact CB-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CB 4.45Å; L94-L103 HydrophobicContact CD1-CD1 4.23Å; L94-L103 HydrophobicContact CD1-CG 4.47Å; L103-M105 PolarHBondContact O-N 3.05Å
104Q72.3Confident68Low182 Ų18294.6 Ų94.685%0.8555%0.551SS**PPolyproline II helixtrans-70.1128.3174.3-65.3-174.52900108.9Q102 P106Q102-Q104 PolarHBondContact O-N 3.2Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-P106 WeakPolarHBondContact O-CD 3.42Å
105M73.6Confident66.2Low47 Ų4793.5 Ų93.523%0.23255%0.551CS.*PPolyproline II helixtrans-61.7123.1178.2-151.6-93.5107.100109.1P67 H69 Y87 Y90 L103 N107 Y108P67-M105 HydrophobicContact CB-SD 4.2Å; P67-M105 HydrophobicContact CG-SD 4.3Å; H69-M105 PolarHBondContact CE1-SD 3.4Å; H69-M105 PolarHBondContact NE2-SD 3.04Å; Y87-M105 HydrophobicContact CD2-CE 4.08Å; Y90-M105 HydrophobicContact CD1-CG 4.25Å; Y90-M105 HydrophobicContact CE1-CG 3.97Å; L103-M105 PolarHBondContact O-N 3.05Å; M105-N107 PolarHBondContact O-N 3.48Å; M105-Y108 HydrophobicContact CE-CD1 4.34Å; M105-Y108 HydrophobicContact SD-CD1 4.35Å
106P71Confident64.2Low43 Ų4391.8 Ų91.828%0.27955%0.551SS.*PPolyproline II helixtrans-61133.1-178.113.8-24000112.5H69 Y90 Q104 Y108H69-P106 PolarHBondContact NE2-O 2.94Å; Y90-P106 HydrophobicContact CD2-CG 4.26Å; Y90-P106 HydrophobicContact CG-CG 4.25Å; Q104-P106 WeakPolarHBondContact O-CD 3.42Å; P106-Y108 PolarHBondContact O-N 3.32Å
107N73.3Confident62.4Low93 Ų9393.6 Ų93.650%0.49754%0.543SS..  trans-68.893.8174.5-175.911.9000110.7M105 M109 N110M105-N107 PolarHBondContact O-N 3.48Å; N107-M109 PolarHBondContact O-N 3.34Å; N107-M109 VanDerWaalsContact O-N 3.12Å; N107-M109 PolarHBondContact OD1-N 3.44Å; N107-N110 PolarHBondContact O-N 3.3Å
108Y69.3Low60.9Low8 Ų897.2 Ų97.23%0.03156%0.563CS.*THydrogen-bonded Turntrans-68.3-9.8-176.257.4-93.4000114.1I66 P67 H68 H69 L75 A83 M105 P106I66-Y108 HydrophobicContact CG2-CD1 4.44Å; I66-Y108 HydrophobicContact CG2-CD2 4.28Å; I66-Y108 HydrophobicContact CG2-CE1 4.42Å; I66-Y108 HydrophobicContact CG2-CE2 4.25Å; I66-Y108 HydrophobicContact CG2-CG 4.4Å; P67-Y108 WeakPolarHBondContact O-CE1 3.47Å; P67-Y108 PolarHBondContact O-OH 3.29Å; P67-Y108 VanDerWaalsContact O-OH 3.1Å; H68-Y108 WeakPolarHBondContact CA-OH 3.46Å; H69-Y108 HydrophobicContact CB-CE1 4.38Å; H69-Y108 AromaticContact CD2-CD1 3.52Å; H69-Y108 AromaticContact CD2-CE1 2.98Å; H69-Y108 WeakPolarHBondContact CD2-CE1 3.21Å; H69-Y108 AromaticContact CD2-CZ 3.77Å; H69-Y108 AromaticContact CE1-CE1 3.86Å; H69-Y108 AromaticContact CG-CE1 3.61Å; H69-Y108 PolarHBondContact N-OH 3.03Å; H69-Y108 AromaticContact NE2-CD1 3.4Å; H69-Y108 WeakPolarHBondContact NE2-CD1 3.43Å; H69-Y108 AromaticContact NE2-CE1 3.17Å; H69-Y108 WeakPolarHBondContact NE2-CE1 3.42Å; L75-Y108 HydrophobicContact CD1-CE2 4.37Å; L75-Y108 HydrophobicContact CD2-CE2 4.37Å; A83-Y108 HydrophobicContact CB-CD2 3.7Å; A83-Y108 HydrophobicContact CB-CG 3.88Å; M105-Y108 HydrophobicContact CE-CD1 4.34Å; M105-Y108 HydrophobicContact SD-CD1 4.35Å; P106-Y108 PolarHBondContact O-N 3.32Å
109M64.5Low59.9Low51 Ų51101 Ų10125%0.25157%0.566SS.*THydrogen-bonded Turntrans-80.5-14.1176.1-63.7-67.2-164.900113.3L75 N107L75-M109 HydrophobicContact CD2-CE 3.5Å; L75-M109 VanDerWaalsContact CD2-CE 3.5Å; L75-M109 HydrophobicContact CD2-SD 3.41Å; L75-M109 WeakPolarHBondContact CD2-SD 3.45Å; N107-M109 PolarHBondContact O-N 3.34Å; N107-M109 VanDerWaalsContact O-N 3.12Å; N107-M109 PolarHBondContact OD1-N 3.44Å
110N60.8Low59Low119 Ų11998.9 Ų98.964%0.63656%0.559SS**  trans-119.957.9-176.8-157-47.7000110.8N107N107-N110 PolarHBondContact O-N 3.3Å
111L58.7Low58.4Low47 Ų47100.3 Ų100.325%0.24657%0.567CS.*  trans-102.670.7170.4-68.3166.1000108.2R82 E113R82-L111 HydrophobicContact CB-CD1 3.87Å; R82-L111 PolarHBondContact NH1-O 2.92Å; L111-E113 VanDerWaalsContact C-N 3.25Å
112N53.4Low58.3Low151 Ų151104.9 Ų104.981%0.80757%0.567SS**  trans-85.22.8169.1-168.946.8000112.5
113E47.9Very low57.3Low172 Ų172103.2 Ų103.280%0.80456%0.559SS**SBendtrans-115.5131.6-173.8-150.7160.798.100111L111 A115L111-E113 VanDerWaalsContact C-N 3.25Å; E113-A115 PolarHBondContact O-N 3.47Å
114S47.8Very low56.4Low117 Ų117104 Ų10482%0.81857%0.568SS**  trans-46.472.6170.1-41.10000111.7S116S114-S116 PolarHBondContact O-N 3.19Å
115A53Low55.2Low39 Ų39103 Ų10332%0.32256%0.561SS.*  trans-67.392.2167.900000106.1E113 Y117E113-A115 PolarHBondContact O-N 3.47Å; A115-Y117 VanDerWaalsContact C-N 3.28Å; A115-Y117 VanDerWaalsContact O-CD1 3.32Å; A115-Y117 WeakPolarHBondContact O-CD1 3.38Å; A115-Y117 VanDerWaalsContact O-CE1 3.29Å; A115-Y117 WeakPolarHBondContact O-CE1 3.48Å; A115-Y117 PolarHBondContact O-N 3.22Å
116S48.8Very low53.9Low112 Ų112110.2 Ų110.278%0.78359%0.587SS**  trans-4493.1173.6-164.60000108.4S114 P118S114-S116 PolarHBondContact O-N 3.19Å; S116-P118 WeakPolarHBondContact O-CD 3.45Å
117Y50.4Low52.8Low142 Ų142114 Ų11456%0.55760%0.601SS**  trans-62.9124.8162-31.2-72.5000103.1A115 L119A115-Y117 VanDerWaalsContact C-N 3.28Å; A115-Y117 VanDerWaalsContact O-CD1 3.32Å; A115-Y117 WeakPolarHBondContact O-CD1 3.38Å; A115-Y117 VanDerWaalsContact O-CE1 3.29Å; A115-Y117 WeakPolarHBondContact O-CE1 3.48Å; A115-Y117 PolarHBondContact O-N 3.22Å; Y117-L119 PolarHBondContact O-N 3.1Å
118P52.4Low51.8Low120 Ų120117.7 Ų117.778%0.77962%0.615SS**  trans-61.189.9164.124.5-29.3000105.8S116 T120S116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-T120 PolarHBondContact O-N 3.47Å
119L46.6Very low51Low146 Ų146124.7 Ų124.776%0.76465%0.649SS**  trans-6797.9167.1-147.690.5000102.1Y117 S121Y117-L119 PolarHBondContact O-N 3.1Å; L119-S121 PolarHBondContact O-N 3.33Å
120T46.3Very low50Low118 Ų118129.7 Ų129.772%0.72468%0.676SS**  trans-54.2101.6163.5-55.50000104.8P118 H122P118-T120 PolarHBondContact O-N 3.47Å; T120-H122 PolarHBondContact O-N 3.25Å
121S45.1Very low49.3Very low77 Ų77126.3 Ų126.354%0.53867%0.67SS.*  trans-67.881.3176.4-173.80000106L119 Q123L119-S121 PolarHBondContact O-N 3.33Å; S121-Q123 PolarHBondContact O-N 3.24Å; S121-Q123 PolarHBondContact OG-NE2 3.34Å
122H57.8Low48.5Very low173 Ų173133.4 Ų133.480%0.80170%0.701SS**  trans-67.990144.9-88-7.1000105.4T120 P124T120-H122 PolarHBondContact O-N 3.25Å; H122-P124 WeakPolarHBondContact O-CD 3.34Å; H122-P124 VanDerWaalsContact O-N 3.1Å
123Q40.8Very low47.8Very low146 Ų146131.6 Ų131.668%0.68270%0.699SS**  trans-39.2116.1152.5-75.3-71.8-53.200106.5S121 F125S121-Q123 PolarHBondContact O-N 3.24Å; S121-Q123 PolarHBondContact OG-NE2 3.34Å; Q123-F125 VanDerWaalsContact C-N 3.33Å; Q123-F125 PolarHBondContact O-N 2.89Å
124P51.1Low48.3Very low80 Ų80129.2 Ų129.252%0.51970%0.699SS.*  trans-59.7110.5164.325-29.5000104.9H122 Y126H122-P124 WeakPolarHBondContact O-CD 3.34Å; H122-P124 VanDerWaalsContact O-N 3.1Å; P124-Y126 HydrophobicContact CB-CD2 3.98Å; P124-Y126 HydrophobicContact CB-CE2 3.59Å; P124-Y126 HydrophobicContact CG-CD2 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.48Å; P124-Y126 VanDerWaalsContact CG-CE2 3.48Å; P124-Y126 WeakPolarHBondContact O-CD2 3.39Å; P124-Y126 PolarHBondContact O-N 3.45Å
125F47Very low48.3Very low162 Ų162129.9 Ų129.971%0.71170%0.698SS**  trans-68.182.5171.7-178.2-112.5000106.8Q123 Q127Q123-F125 VanDerWaalsContact C-N 3.33Å; Q123-F125 PolarHBondContact O-N 2.89Å; F125-Q127 HydrophobicContact CD1-CB 3.88Å; F125-Q127 HydrophobicContact CD1-CG 4.49Å; F125-Q127 HydrophobicContact CE1-CB 3.43Å; F125-Q127 VanDerWaalsContact CE1-CB 3.43Å; F125-Q127 HydrophobicContact CE1-CG 3.58Å; F125-Q127 HydrophobicContact CE2-CG 4.44Å; F125-Q127 HydrophobicContact CZ-CB 3.79Å; F125-Q127 VanDerWaalsContact CZ-CD 3.47Å; F125-Q127 HydrophobicContact CZ-CG 3.52Å; F125-Q127 PolarHBondContact O-N 3.1Å
126Y46.4Very low48.4Very low199 Ų199133.7 Ų133.778%0.7872%0.717SS**  trans-71.187.7158.8-65.9-72.5000105.4P124 Q128P124-Y126 HydrophobicContact CB-CD2 3.98Å; P124-Y126 HydrophobicContact CB-CE2 3.59Å; P124-Y126 HydrophobicContact CG-CD2 3.96Å; P124-Y126 HydrophobicContact CG-CE2 3.48Å; P124-Y126 VanDerWaalsContact CG-CE2 3.48Å; P124-Y126 WeakPolarHBondContact O-CD2 3.39Å; P124-Y126 PolarHBondContact O-N 3.45Å; Y126-Q128 VanDerWaalsContact C-N 3.34Å; Y126-Q128 PolarHBondContact O-N 2.98Å
127Q47.8Very low47.9Very low122 Ų122131 Ų13157%0.5771%0.707SS**  trans-63.4106.2165.1-154.9165.74.700106.3F125 Q129F125-Q127 HydrophobicContact CD1-CB 3.88Å; F125-Q127 HydrophobicContact CD1-CG 4.49Å; F125-Q127 HydrophobicContact CE1-CB 3.43Å; F125-Q127 VanDerWaalsContact CE1-CB 3.43Å; F125-Q127 HydrophobicContact CE1-CG 3.58Å; F125-Q127 HydrophobicContact CE2-CG 4.44Å; F125-Q127 HydrophobicContact CZ-CB 3.79Å; F125-Q127 VanDerWaalsContact CZ-CD 3.47Å; F125-Q127 HydrophobicContact CZ-CG 3.52Å; F125-Q127 PolarHBondContact O-N 3.1Å; Q127-Q129 HydrophobicContact CB-CG 4.33Å; Q127-Q129 HydrophobicContact CG-CG 4.23Å; Q127-Q129 PolarHBondContact O-N 2.86Å
128Q52.5Low47.8Very low170 Ų170132.7 Ų132.779%0.79472%0.718SS**  trans-66.678.3172.9-171.2172.424.600107.9Y126 N130Y126-Q128 VanDerWaalsContact C-N 3.34Å; Y126-Q128 PolarHBondContact O-N 2.98Å; Q128-N130 PolarHBondContact O-N 3.4Å
129Q51Low47.5Very low156 Ų156135.5 Ų135.573%0.72972%0.72SS**  trans-78.4104166.4-53.9-168.75400105.4Q127 G131Q127-Q129 HydrophobicContact CB-CG 4.33Å; Q127-Q129 HydrophobicContact CG-CG 4.23Å; Q127-Q129 PolarHBondContact O-N 2.86Å; Q129-G131 PolarHBondContact O-N 3.23Å
130N45.1Very low47.8Very low156 Ų156137.8 Ų137.883%0.83472%0.724SS**  trans-58.289.6167.6-74.6-44.4000108.5Q128Q128-N130 PolarHBondContact O-N 3.4Å
131G46.2Very low47.6Very low48 Ų48133.6 Ų133.650%0.49570%0.704SS.*  trans-139.9119.7167.700000106.4Q129 C133Q129-G131 PolarHBondContact O-N 3.23Å; G131-C133 PolarHBondContact O-N 3.19Å
132Q42Very low48.4Very low196 Ų196135.9 Ų135.992%0.91672%0.717SS**  trans-49.7103.7173.3-93.48910.100110.1
133C37.6Very low48.2Very low112 Ų112136.9 Ų136.976%0.75772%0.722SS**  trans-90.5132.4160.8-70.60000107.7G131 T135G131-C133 PolarHBondContact O-N 3.19Å; C133-T135 PolarHBondContact O-N 3.47Å
134P58.3Low48.8Very low123 Ų123138.8 Ų138.880%0.79973%0.731SS**  trans-59.6117.4173.423.6-30.2000108.7V136P134-V136 PolarHBondContact O-N 3.46Å
135T49.1Very low48.7Very low130 Ų130143.7 Ų143.780%0.79875%0.747SS**  trans-61.6100.3172.1-176.70000108.4C133 G137C133-T135 PolarHBondContact O-N 3.47Å; T135-G137 PolarHBondContact O-N 3.19Å
136V54.3Low48.6Very low119 Ų119143.4 Ų143.472%0.72175%0.748SS**  trans-75.581.1154.4-76.10000106P134 F138P134-V136 PolarHBondContact O-N 3.46Å; V136-F138 PolarHBondContact O-N 3.41Å
137G38.7Very low48.3Very low56 Ų56144.4 Ų144.458%0.57775%0.75SS**  trans-62.999.517500000109.4T135 H139T135-G137 PolarHBondContact O-N 3.19Å; G137-H139 PolarHBondContact O-N 2.95Å
138F48.1Very low48.2Very low178 Ų178144.3 Ų144.378%0.78175%0.75SS**  trans-71.882.8155.8-71.4-82.4000107V136 F140V136-F138 PolarHBondContact O-N 3.41Å; F138-F140 VanDerWaalsContact C-N 3.35Å; F138-F140 HydrophobicContact CB-CD2 4.47Å; F138-F140 HydrophobicContact CB-CE2 4.41Å; F138-F140 PolarHBondContact O-N 2.89Å
139H46.6Very low47.7Very low179 Ų179144.7 Ų144.783%0.82975%0.751SS**  trans-71.794.4171.1-149.887.2000107.3G137 G141G137-H139 PolarHBondContact O-N 2.95Å; H139-G141 PolarHBondContact O-N 2.9Å
140F51.8Low47.6Very low193 Ų193144.1 Ų144.185%0.84675%0.748SS**  trans-72.584.6162.4-84-89.8000107.4F138F138-F140 VanDerWaalsContact C-N 3.35Å; F138-F140 HydrophobicContact CB-CD2 4.47Å; F138-F140 HydrophobicContact CB-CE2 4.41Å; F138-F140 PolarHBondContact O-N 2.89Å
141G42.5Very low47.3Very low30 Ų30146.3 Ų146.331%0.30975%0.754SS.*  trans-69.6145.9171.100000110.6H139 H143H139-G141 PolarHBondContact O-N 2.9Å; G141-H143 PolarHBondContact O-N 3.34Å; G141-H143 VanDerWaalsContact O-N 3.13Å
142P61.7Low47.1Very low126 Ų126150.4 Ų150.482%0.81877%0.769SS**  trans-69.8110.4172.529.7-30.2000108Q144P142-Q144 PolarHBondContact O-N 3.48Å
143H54Low47Very low193 Ų193144.4 Ų144.489%0.89476%0.759SS**  trans-69.5102.8170.4-78.9-78.6000108.9G141 Q145G141-H143 PolarHBondContact O-N 3.34Å; G141-H143 VanDerWaalsContact O-N 3.13Å; H143-Q145 PolarHBondContact O-N 3.49Å
144Q52.9Low46.8Very low186 Ų186148.4 Ų148.487%0.86977%0.769SS**  trans-68.8119.7165.4-74.1-162-1100109.4P142 Q146P142-Q144 PolarHBondContact O-N 3.48Å; Q144-Q146 PolarHBondContact O-N 3.07Å
145Q49.1Very low46.4Very low183 Ų183147 Ų14786%0.85577%0.769SS**  trans-83.693.4179.5-169.6165.24.500109.9H143 R147H143-Q145 PolarHBondContact O-N 3.49Å; Q145-R147 PolarHBondContact O-N 3.35Å
146Q44.6Very low46.1Very low157 Ų157149 Ų14973%0.73477%0.774SS**  trans-80.3103.3169.5-164.1172.37.600109.2Q144 Q148Q144-Q146 PolarHBondContact O-N 3.07Å; Q146-Q148 HydrophobicContact CG-CG 4.39Å; Q146-Q148 PolarHBondContact O-N 3.15Å; Q146-Q148 VanDerWaalsContact O-N 3.07Å
147R40.4Very low45.8Very low219 Ų219150.2 Ų150.283%0.82678%0.777SS**  trans-67.296.9167.9-87-103-75.3-171.3-5109.1Q145Q145-R147 PolarHBondContact O-N 3.35Å
148Q45.1Very low46.2Very low121 Ų121153.7 Ų153.757%0.56579%0.789SS**  trans-102.9119.8159.1-73.8-17620.300109.2Q146 H150Q146-Q148 HydrophobicContact CG-CG 4.39Å; Q146-Q148 PolarHBondContact O-N 3.15Å; Q146-Q148 VanDerWaalsContact O-N 3.07Å; Q148-H150 PolarHBondContact O-N 3.19Å; Q148-H150 PolarHBondContact OE1-CE1 3.35Å
149Q43.2Very low45.9Very low177 Ų177148.7 Ų148.783%0.82779%0.788SS**  trans-69.1110.1171-58175.324.600107.8
150H47.6Very low45.6Very low144 Ų144143.2 Ų143.267%0.66778%0.78SS**  trans-126.2106.3166.1-77.293.8000108.7Q148Q148-H150 PolarHBondContact O-N 3.19Å; Q148-H150 PolarHBondContact OE1-CE1 3.35Å
151Q38.9Very low44.8Very low202 Ų202145 Ų14594%0.94478%0.782SS**  trans-58.5125.1156.7-82.4170.816.300107.9
152V43.2Very low45.3Very low135 Ų135149.2 Ų149.282%0.81880%0.804SS**  trans-126.9121.3165-1730000107.3
153G39.8Very low44.1Very low69 Ų69149.4 Ų149.471%0.71181%0.807SS**  trans-66.8164.2-174.200000114.2A155G153-A155 PolarHBondContact O-N 2.84Å
154M33.8Very low43.6Very low196 Ų196150.4 Ų150.497%0.96680%0.803SS**  trans-66.4120.6179.3-55.2-67.9-179.900110.5
155A48.2Very low43Very low95 Ų95149 Ų14979%0.78580%0.8SS**  trans-145.3124.2160.300000110G153G153-A155 PolarHBondContact O-N 2.84Å
156N44.4Very low42.9Very low170 Ų170147.8 Ų147.891%0.90979%0.792SS**  trans-47.5126-177.3-58.6-61.7000115.1
157D47.7Very low42.5Very low146 Ų146147.6 Ų147.678%0.78180%0.796SS**  trans-139.7112.5155.8-158.1-32.9000108.6G159D157-G159 PolarHBondContact O-N 3.11Å
158P47.3Very low42.7Very low129 Ų129145.7 Ų145.784%0.83880%0.796SS**  trans-9487.4-176.935.3-27.5000109.8
159G41.6Very low42.3Very low73 Ų73149.3 Ų149.375%0.75381%0.81SS**  trans159.176.817000000115.3D157D157-G159 PolarHBondContact O-N 3.11Å
160G39.8Very low42.2Very low64 Ų64149.1 Ų149.166%0.6681%0.81SS**  trans168.1106.116900000113.9P162G160-P162 WeakPolarHBondContact O-CD 3.38Å
161Y35.8Very low41.7Very low229 Ų229147.8 Ų147.890%0.89882%0.817SS**  trans-52.9123.5176.9-60.9-88.9000112.9
162P51.8Low41.8Very low119 Ų119141.8 Ų141.877%0.77381%0.809SS**  trans-105.4100.6171.233.4-22.5000110.9G160 R164G160-P162 WeakPolarHBondContact O-CD 3.38Å; P162-R164 PolarHBondContact O-N 3.35Å
163C37.8Very low41.4Very low130 Ų130144.5 Ų144.588%0.87882%0.818SS**  trans-86.894.6163-39.20000108.3
164R43.2Very low41.2Very low215 Ų215144.2 Ų144.281%0.81182%0.815SS**  trans-116.495.3172.4-156.3177-170.5160.12.6109P162 K166P162-R164 PolarHBondContact O-N 3.35Å; R164-K166 PolarHBondContact O-N 2.9Å
165I40.5Very low41.3Very low155 Ų155143.4 Ų143.480%0.79581%0.809SS**  trans-69109.1167.7-60.8170.7000106.7
166K47Very low41.1Very low158 Ų158146.3 Ų146.369%0.68781%0.81SS**  trans-92.7116.5165.4-70.1-178.5177.41800107.4R164R164-K166 PolarHBondContact O-N 2.9Å
167N35.3Very low41.1Very low154 Ų154143.4 Ų143.482%0.82480%0.798SS**  trans-81.1110.3159.5-76.5-21.7000106.8
168E44.7Very low41.5Very low178 Ų178141.4 Ų141.483%0.83279%0.786SS**  trans-111.4104.2159.1-66.6-160.7162.400107
169F37Very low41.4Very low197 Ų197136.5 Ų136.586%0.86476%0.759SS**  trans-89.9109.2167.5174.4-91.2000106.4
170E40.6Very low42.2Very low173 Ų173138.4 Ų138.481%0.80876%0.758SS**  trans-163.7127.8144.1-117.5178.8144.900110.2
171S38.4Very low42.8Very low117 Ų117140.5 Ų140.582%0.81875%0.754SS**SBendtrans67.9118.3161.463.20000118.8
172G39.3Very low43.8Very low76 Ų76134.1 Ų134.178%0.78474%0.739SS**  trans116.8115154.400000114.5G174G172-G174 PolarHBondContact O-N 3.49Å; G172-G174 VanDerWaalsContact O-N 3.15Å
173L35Very low43.8Very low191 Ų191135.5 Ų135.5100%173%0.73SS**  trans-32.5111.1165.7-61.1164.5000112.3
174G35.9Very low44.5Very low63 Ų63134.9 Ų134.965%0.64971%0.714SS**  trans-151.6109.5-178.700000110.9G172 I176G172-G174 PolarHBondContact O-N 3.49Å; G172-G174 VanDerWaalsContact O-N 3.15Å; G174-I176 PolarHBondContact O-N 2.9Å
175E36.9Very low45.1Very low179 Ų179130 Ų13084%0.83670%0.704SS**  trans-46123.7167.3-170.2172.4163.800110.3T177E175-T177 PolarHBondContact O-N 3.07Å
176I43.6Very low45.8Very low157 Ų157125.2 Ų125.281%0.80568%0.684SS**  trans-7581.8175.6-57.5170.2000107.1G174 I178G174-I176 PolarHBondContact O-N 2.9Å; I176-I178 HydrophobicContact CG2-CG1 4.24Å; I176-I178 PolarHBondContact O-N 3.5Å; I176-I178 VanDerWaalsContact O-N 3.11Å
177T44.7Very low46.7Very low109 Ų109122.7 Ų122.767%0.66968%0.676SS**  trans-71.899.5165.6-50.60000107.4E175 G179E175-T177 PolarHBondContact O-N 3.07Å; T177-G179 VanDerWaalsContact C-N 3.28Å; T177-G179 PolarHBondContact O-N 3.21Å
178I55.2Low47.9Very low104 Ų104121 Ų12153%0.53366%0.663SS.*  trans-65.197.2164.9-59175000105.7I176 V182 Y183I176-I178 HydrophobicContact CG2-CG1 4.24Å; I176-I178 PolarHBondContact O-N 3.5Å; I176-I178 VanDerWaalsContact O-N 3.11Å; I178-V182 HydrophobicContact CG2-CB 4.31Å; I178-Y183 HydrophobicContact CG2-CD2 4.26Å; I178-Y183 HydrophobicContact CG2-CE2 3.83Å
179G46.4Very low48.9Very low26 Ų26119.4 Ų119.427%0.26866%0.655SS.*  trans-56.5147.1-177.400000111.6T177 D181 V182T177-G179 VanDerWaalsContact C-N 3.28Å; T177-G179 PolarHBondContact O-N 3.21Å; G179-D181 PolarHBondContact O-N 3.31Å; G179-V182 PolarHBondContact O-N 2.9Å; G179-V182 VanDerWaalsContact O-N 3.15Å
180P57.8Low50.1Low112 Ų112115.8 Ų115.873%0.72764%0.641SS**Hα-helixtrans-56.6-17.3-179.422.7-33.4000113.4Y183 Q184P180-Y183 PolarHBondContact O-N 3.19Å; P180-Q184 PolarHBondContact O-N 2.88Å
181D51.8Low51.3Low108 Ų108113.2 Ų113.258%0.57863%0.629SS**Hα-helixtrans-67.7-33.4179.8-132.7-10.3000113.5G179 Y183 Q184 L185G179-D181 PolarHBondContact O-N 3.31Å; D181-Y183 VanDerWaalsContact C-N 3.32Å; D181-Y183 PolarHBondContact O-N 3.38Å; D181-Q184 PolarHBondContact O-N 3.38Å; D181-L185 WeakPolarHBondContact O-CD1 3.21Å; D181-L185 PolarHBondContact O-N 2.93Å
182V56.4Low52.5Low96 Ų96112.1 Ų112.158%0.58261%0.612SS**Hα-helixtrans-69.1-35.3177.8-177.60000111I178 G179 S186I178-V182 HydrophobicContact CG2-CB 4.31Å; G179-V182 PolarHBondContact O-N 2.9Å; G179-V182 VanDerWaalsContact O-N 3.15Å; V182-S186 PolarHBondContact O-N 3.15Å
183Y53.1Low53.8Low148 Ų148112 Ų11258%0.5860%0.599SS**Hα-helixtrans-70.6-41.9173.6-78.9-82.8000111.4I178 P180 D181 S186 M187I178-Y183 HydrophobicContact CG2-CD2 4.26Å; I178-Y183 HydrophobicContact CG2-CE2 3.83Å; P180-Y183 PolarHBondContact O-N 3.19Å; D181-Y183 VanDerWaalsContact C-N 3.32Å; D181-Y183 PolarHBondContact O-N 3.38Å; Y183-S186 PolarHBondContact O-N 3.27Å; Y183-S186 PolarHBondContact O-OG 2.88Å; Y183-M187 WeakPolarHBondContact O-CG 3.36Å; Y183-M187 PolarHBondContact O-N 3.45Å
184Q51.2Low55.4Low117 Ų117106.3 Ų106.355%0.54757%0.572SS.*Hα-helixtrans-60.2-48.8176.3-113-10855.300112.1P180 D181 S186 M187 Q188P180-Q184 PolarHBondContact O-N 2.88Å; D181-Q184 PolarHBondContact O-N 3.38Å; Q184-S186 VanDerWaalsContact C-N 3.32Å; Q184-S186 PolarHBondContact O-N 2.96Å; Q184-M187 PolarHBondContact O-N 3.31Å; Q184-Q188 WeakPolarHBondContact O-CB 3.31Å; Q184-Q188 PolarHBondContact O-N 3.02Å
185L56.3Low56.7Low113 Ų113106.9 Ų106.959%0.59256%0.56SS**Hα-helixtrans-62.7-36.6175.9-89.9108.9000112.7D181 Q188 Q189D181-L185 WeakPolarHBondContact O-CD1 3.21Å; D181-L185 PolarHBondContact O-N 2.93Å; L185-Q188 PolarHBondContact O-N 3.45Å; L185-Q189 VanDerWaalsContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.38Å
186S55.9Low58Low53 Ų53104.5 Ų104.537%0.37155%0.549SS..Hα-helixtrans-67.4-38.1176.185.30000112.5V182 Y183 Q184 Q190V182-S186 PolarHBondContact O-N 3.15Å; Y183-S186 PolarHBondContact O-N 3.27Å; Y183-S186 PolarHBondContact O-OG 2.88Å; Q184-S186 VanDerWaalsContact C-N 3.32Å; Q184-S186 PolarHBondContact O-N 2.96Å; S186-Q190 PolarHBondContact O-N 3.06Å
187M64.4Low58.9Low106 Ų106100 Ų10052%0.52253%0.531SS..Hα-helixtrans-70-39.4176-73.9-66.699.200111Y183 Q184 Q190 H191Y183-M187 WeakPolarHBondContact O-CG 3.36Å; Y183-M187 PolarHBondContact O-N 3.45Å; Q184-M187 PolarHBondContact O-N 3.31Å; M187-Q190 PolarHBondContact O-N 3.22Å; M187-H191 WeakPolarHBondContact O-CB 3.36Å; M187-H191 PolarHBondContact O-N 2.89Å
188Q60.5Low59.4Low118 Ų118102.6 Ų102.655%0.55153%0.53SS*.Hα-helixtrans-70.3-35.7177.2-165.815623.100112.1Q184 L185 Q190 H191 M192Q184-Q188 WeakPolarHBondContact O-CB 3.31Å; Q184-Q188 PolarHBondContact O-N 3.02Å; L185-Q188 PolarHBondContact O-N 3.45Å; Q188-Q190 VanDerWaalsContact C-N 3.34Å; Q188-H191 PolarHBondContact O-N 3.09Å; Q188-M192 WeakPolarHBondContact O-CB 3.4Å; Q188-M192 WeakPolarHBondContact O-CG 3.48Å; Q188-M192 PolarHBondContact O-N 2.86Å
189Q66.5Low59.3Low144 Ų144101.9 Ų101.967%0.67353%0.533SS*.Hα-helixtrans-63.1-39.9171-168.485.173.300111.4L185 S193L185-Q189 VanDerWaalsContact O-CB 3.31Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.38Å; Q189-S193 WeakPolarHBondContact O-CB 3.35Å; Q189-S193 PolarHBondContact O-N 2.84Å; Q189-S193 VanDerWaalsContact O-N 3.09Å
190Q61.7Low59.7Low122 Ų122106.3 Ų106.357%0.5755%0.55SS**Hα-helixtrans-66.7-43.5173-79.8-167.6-45.700112S186 M187 Q188 M192 S193 V194S186-Q190 PolarHBondContact O-N 3.06Å; M187-Q190 PolarHBondContact O-N 3.22Å; Q188-Q190 VanDerWaalsContact C-N 3.34Å; Q190-M192 PolarHBondContact O-N 3.48Å; Q190-S193 WeakPolarHBondContact O-CB 3.48Å; Q190-S193 PolarHBondContact O-N 3.28Å; Q190-V194 WeakPolarHBondContact O-CG2 3.33Å; Q190-V194 PolarHBondContact O-N 2.96Å
191H66.7Low59.7Low119 Ų119109.2 Ų109.255%0.55155%0.551SS**Hα-helixtrans-65.5-38.3179-164.7-109.2000112.3M187 Q188 V194 L195M187-H191 WeakPolarHBondContact O-CB 3.36Å; M187-H191 PolarHBondContact O-N 2.89Å; Q188-H191 PolarHBondContact O-N 3.09Å; H191-V194 PolarHBondContact O-N 3.14Å; H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 WeakPolarHBondContact O-CG 3.39Å; H191-L195 PolarHBondContact O-N 2.9Å
192M64Low59.7Low94 Ų94114.4 Ų114.446%0.46356%0.563SS.*Hα-helixtrans-64.8-39.8173.1-78.5-98.25100112.4Q188 Q190 L195 Q196Q188-M192 WeakPolarHBondContact O-CB 3.4Å; Q188-M192 WeakPolarHBondContact O-CG 3.48Å; Q188-M192 PolarHBondContact O-N 2.86Å; Q190-M192 PolarHBondContact O-N 3.48Å; M192-L195 PolarHBondContact O-N 3.33Å; M192-Q196 WeakPolarHBondContact O-CB 3.44Å; M192-Q196 WeakPolarHBondContact O-CG 3.41Å; M192-Q196 PolarHBondContact O-N 2.84Å
193S66.1Low59.5Low74 Ų74117.4 Ų117.452%0.51757%0.57SS.*Hα-helixtrans-64.5-39.4174.4176.50000112.3Q189 Q190 S197Q189-S193 WeakPolarHBondContact O-CB 3.35Å; Q189-S193 PolarHBondContact O-N 2.84Å; Q189-S193 VanDerWaalsContact O-N 3.09Å; Q190-S193 WeakPolarHBondContact O-CB 3.48Å; Q190-S193 PolarHBondContact O-N 3.28Å; S193-S197 PolarHBondContact O-N 3.35Å; S193-S197 VanDerWaalsContact O-N 3.14Å
194V68.7Low59.2Low70 Ų70117.8 Ų117.842%0.42458%0.582SS.*Hα-helixtrans-66.7-48.8176.7173.70000109.7Q190 H191 Q196 S197 Y198Q190-V194 WeakPolarHBondContact O-CG2 3.33Å; Q190-V194 PolarHBondContact O-N 2.96Å; H191-V194 PolarHBondContact O-N 3.14Å; V194-Q196 PolarHBondContact O-N 3.47Å; V194-S197 WeakPolarHBondContact O-CB 3.25Å; V194-S197 PolarHBondContact O-N 3.07Å; V194-S197 VanDerWaalsContact O-N 3.07Å; V194-S197 PolarHBondContact O-OG 3.5Å; V194-Y198 HydrophobicContact CG1-CD2 3.7Å; V194-Y198 HydrophobicContact CG1-CE2 3.53Å; V194-Y198 VanDerWaalsContact O-CD2 3.25Å; V194-Y198 WeakPolarHBondContact O-CD2 3.41Å; V194-Y198 PolarHBondContact O-N 3.24Å
195L63.8Low59.1Low76 Ų76117.1 Ų117.140%0.39859%0.59SS.*Hα-helixtrans-62.3-39.1177.9-76.2170.3000113.3H191 M192 S197 Y198 C199H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 WeakPolarHBondContact O-CG 3.39Å; H191-L195 PolarHBondContact O-N 2.9Å; M192-L195 PolarHBondContact O-N 3.33Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.42Å; L195-Y198 PolarHBondContact O-N 3.42Å; L195-Y198 VanDerWaalsContact O-N 3.17Å; L195-C199 PolarHBondContact O-N 2.92Å
196Q62.2Low58.6Low128 Ų128116.5 Ų116.560%0.59860%0.595SS**Hα-helixtrans-60.9-39.4172.6-81.2-177.9-43.600111.7M192 V194 Y198 C199 L200M192-Q196 WeakPolarHBondContact O-CB 3.44Å; M192-Q196 WeakPolarHBondContact O-CG 3.41Å; M192-Q196 PolarHBondContact O-N 2.84Å; V194-Q196 PolarHBondContact O-N 3.47Å; Q196-Y198 VanDerWaalsContact C-N 3.33Å; Q196-Y198 PolarHBondContact O-N 2.64Å; Q196-C199 PolarHBondContact O-N 3.18Å; Q196-L200 WeakPolarHBondContact O-CD1 3.47Å; Q196-L200 PolarHBondContact O-N 3.46Å; Q196-L200 VanDerWaalsContact O-N 3.13Å
197S63.3Low58Low63 Ų63119.4 Ų119.444%0.44161%0.614SS.*Hα-helixtrans-65.8-34.4175.580.80000112.6S193 V194 L195 K201S193-S197 PolarHBondContact O-N 3.35Å; S193-S197 VanDerWaalsContact O-N 3.14Å; V194-S197 WeakPolarHBondContact O-CB 3.25Å; V194-S197 PolarHBondContact O-N 3.07Å; V194-S197 VanDerWaalsContact O-N 3.07Å; V194-S197 PolarHBondContact O-OG 3.5Å; L195-S197 VanDerWaalsContact C-N 3.29Å; L195-S197 PolarHBondContact O-N 3.42Å; S197-K201 WeakPolarHBondContact O-CB 3.48Å; S197-K201 PolarHBondContact O-N 3.03Å
198Y55.4Low57Low163 Ų163120 Ų12064%0.63963%0.628SS**Hα-helixtrans-74.8-36.4176.6-83.9-78.5000113.2V194 L195 Q196 K201 R202V194-Y198 HydrophobicContact CG1-CD2 3.7Å; V194-Y198 HydrophobicContact CG1-CE2 3.53Å; V194-Y198 VanDerWaalsContact O-CD2 3.25Å; V194-Y198 WeakPolarHBondContact O-CD2 3.41Å; V194-Y198 PolarHBondContact O-N 3.24Å; L195-Y198 PolarHBondContact O-N 3.42Å; L195-Y198 VanDerWaalsContact O-N 3.17Å; Q196-Y198 VanDerWaalsContact C-N 3.33Å; Q196-Y198 PolarHBondContact O-N 2.64Å; Y198-K201 PolarHBondContact O-N 3.46Å; Y198-R202 PolarHBondContact O-N 3.17Å
199C53.6Low56.1Low89 Ų89119.3 Ų119.360%0.60164%0.643SS**Hα-helixtrans-67.2-42.8175.9-76.90000111.9L195 Q196 K201 R202L195-C199 PolarHBondContact O-N 2.92Å; Q196-C199 PolarHBondContact O-N 3.18Å; C199-K201 VanDerWaalsContact C-N 3.27Å; C199-K201 PolarHBondContact O-N 2.92Å; C199-R202 PolarHBondContact O-N 3.13Å
200L55.3Low55Low120 Ų120116.3 Ų116.363%0.62865%0.651SS**Hα-helixtrans-65.9-29.3173.9-82.8150.1000112.6Q196 R202Q196-L200 WeakPolarHBondContact O-CD1 3.47Å; Q196-L200 PolarHBondContact O-N 3.46Å; Q196-L200 VanDerWaalsContact O-N 3.13Å; L200-R202 VanDerWaalsContact C-N 3.32Å
201K56.4Low53.9Low173 Ų173114.2 Ų114.275%0.75266%0.662SS**Hα-helixtrans-76.1-17.2177.5-142.6112-179.7-166.70113.7S197 Y198 C199S197-K201 WeakPolarHBondContact O-CB 3.48Å; S197-K201 PolarHBondContact O-N 3.03Å; Y198-K201 PolarHBondContact O-N 3.46Å; C199-K201 VanDerWaalsContact C-N 3.27Å; C199-K201 PolarHBondContact O-N 2.92Å
202R52.6Low52.6Low216 Ų216112.2 Ų112.282%0.81567%0.674SS**Hα-helixtrans-94.2-23.4-177.8-149.4-178.5-99-164.1-4.3112.9Y198 C199 L200Y198-R202 PolarHBondContact O-N 3.17Å; C199-R202 PolarHBondContact O-N 3.13Å; L200-R202 VanDerWaalsContact C-N 3.32Å
203E50.8Low51.2Low159 Ų159118.6 Ų118.674%0.74369%0.692SS**Hα-helixtrans-82.1-12.7177.5-73.4-167159.700114.8
204L48.4Very low50.4Low156 Ų156121.2 Ų121.282%0.81770%0.7SS**THydrogen-bonded Turntrans-94.40.2177-68.3171.1000114
205S47.7Very low49.2Very low104 Ų104126 Ų12673%0.72772%0.718SS**SBendtrans-91.7-3.2-175.2178.80000114.6
206S47.2Very low48Very low100 Ų100128.2 Ų128.270%0.69974%0.735SS**SBendtrans-109.17.3-170.6690000116.1
207C42.1Very low47.2Very low113 Ų113127.3 Ų127.376%0.76474%0.743SS**SBendtrans-116.899.5-174.1-64.20000113
208S43.7Very low46.7Very low118 Ų118129 Ų12983%0.82575%0.754SS**  trans7197144.1-143.60000119.5
209A41.6Very low46.4Very low104 Ų104129 Ų12986%0.8677%0.766SS**  trans-76.5143.6155.100000111.3
210G43Very low46.2Very low81 Ų81128.1 Ų128.184%0.83577%0.771SS**  trans113.1124.2171.300000111.9
211G40Very low45.8Very low79 Ų79128.6 Ų128.681%0.81479%0.785SS**  cis151130.17.500000108
212G38.7Very low45.4Very low76 Ų76127.3 Ų127.378%0.78479%0.791SS**  trans71.8111159.400000117.6
213R35.4Very low45.3Very low228 Ų228121.7 Ų121.786%0.8679%0.791SS**  83.8141.177-157.8-165.5175.8153.8-1.1112.9
214L49.2Very low45Very low129 Ų129119.6 Ų119.668%0.67579%0.794SS**  trans90129.5161.8-58.1-178.5000114.7
215E43.1Very low45.4Very low170 Ų170118.3 Ų118.379%0.79480%0.795SS**  cis-152.6163.54.9-63.9-148.1103.800111.2
216T39.1Very low45.3Very low123 Ų123122.6 Ų122.676%0.75580%0.803SS**  trans-66.3147.9167.850.30000112.5
217S43.8Very low45.2Very low110 Ų110121.6 Ų121.677%0.76981%0.809SS**  trans175.5126.4134.7-80.80000113.5
218S54.1Low45.2Very low97 Ų97120 Ų12068%0.67881%0.811SS**  trans85.7133.8136.2-48.30000122.4
219D49.5Very low45.3Very low165 Ų165122.9 Ų122.988%0.88281%0.809SS**  trans78.7121.7155.5-46.7-29000116.5
220G48.1Very low45.5Very low69 Ų69123.7 Ų123.771%0.71180%0.798SS**  cis13311019.600000106.9
221S46.5Very low45.9Very low131 Ų131126.1 Ų126.192%0.91680%0.796SS**  trans179.2122.3151.1-87.20000112
222T48.9Very low46.1Very low145 Ų145130.8 Ų130.889%0.8980%0.797SS**  trans-78133.6173.137.70000111
223A50.1Low46.7Very low99 Ų99135.5 Ų135.582%0.81880%0.804SS**  trans-157.5101.5156.300000109.9
224S44.5Very low46.8Very low115 Ų115128.2 Ų128.280%0.80480%0.799SS**  trans-77.4158.7157.3-64.70000109.2
225P56.6Low46.6Very low128 Ų128132.2 Ų132.283%0.83181%0.812SS**  -140152105.930.7-14.1000114.4
226H45.6Very low46.9Very low195 Ų195132 Ų13290%0.90381%0.811SS**  trans-49.8143.6169.2-86.8-113000113.9
227G45.3Very low47.1Very low79 Ų79131.3 Ų131.381%0.81482%0.817SS**  trans-179.179.616500000111.1
228G43.4Very low47.5Very low79 Ų79132.3 Ų132.381%0.81482%0.819SS**  trans-81157.7173.700000112.7
229F45.6Very low47.2Very low178 Ų178131 Ų13178%0.78182%0.821SS**  -178.2108.7127.8-167.2-104.7000110.2
230I44.1Very low46.9Very low122 Ų122128.4 Ų128.463%0.62682%0.815SS**  trans38.1120.9132.4-50.4-170000118
231T52.8Low47.1Very low131 Ų131131.5 Ų131.580%0.80482%0.822SS**  -164.4120.3101.9-320000110.6
232E44.6Very low47Very low178 Ų178129 Ų12983%0.83281%0.81SS**  trans-59.4134.7159.9-80.1-157.8139.200111
233L49.9Very low46.9Very low175 Ų175130 Ų13092%0.91681%0.81SS**  trans-146.3112.4133.7-78.8-175.3000107.1
234G38.1Very low46.8Very low75 Ų75134 Ų13477%0.77381%0.814SS**  trans-66.5135.517900000112.3
235F45.4Very low47.3Very low212 Ų212133 Ų13393%0.9381%0.805SS**  trans-133.9102.9152.9-144.2-95.7000107.1A237F235-A237 PolarHBondContact O-N 3.39Å
236E47.9Very low46.6Very low167 Ų167136.2 Ų136.278%0.7881%0.809SS**  trans-53.5125.8176.1-75.5-94.7105.700110.4V238E236-V238 HydrophobicContact CB-CG2 4.4Å; E236-V238 PolarHBondContact O-N 3.33Å
237A43.3Very low46.7Very low107 Ų107136.8 Ų136.888%0.88480%0.804SS**  trans-77.3107.5168.900000108.6F235F235-A237 PolarHBondContact O-N 3.39Å
238V52.4Low46.8Very low132 Ų132137.7 Ų137.780%0.880%0.798SS**  trans-116.6125172.7-177.70000109.4E236E236-V238 HydrophobicContact CB-CG2 4.4Å; E236-V238 PolarHBondContact O-N 3.33Å
239G48.8Very low46.9Very low70 Ų70141.4 Ų141.472%0.72280%0.8SS**  trans110.292.8145.100000116.7
240S42.8Very low47Very low110 Ų110139 Ų13977%0.76980%0.799SS**  trans-56.3135163.6-168.80000111.9A242S240-A242 PolarHBondContact O-N 3.25Å
241P53.1Low47.2Very low133 Ų133141 Ų14186%0.86481%0.81SS**  trans-89.782.6175.634.8-28.7000109.8
242A43.5Very low47.1Very low80 Ų80140 Ų14066%0.66181%0.806SS**  trans-111.9138.4156.300000107S240S240-A242 PolarHBondContact O-N 3.25Å
243D48Very low46.9Very low165 Ų165137 Ų13788%0.88281%0.805SS**  trans78.395.4-172.7-72.4-36000117.4
244M46.8Very low46.7Very low184 Ų184143.2 Ų143.291%0.90682%0.818SS**  trans-147141.2141.3-101.2-78110.300109.8
245P54.9Low47.1Very low94 Ų94146.6 Ų146.661%0.6182%0.82SS**  trans-85.9150.9-155.134.9-34000113.5Y247P245-Y247 PolarHBondContact O-N 3.26Å
246Q41.7Very low47.2Very low194 Ų194143.2 Ų143.291%0.90782%0.815SS**  trans-62.2111.8174.7-71.1-98.6-28.800111.2
247Y47.7Very low47.2Very low207 Ų207141.8 Ų141.881%0.81282%0.816SS**  trans-93.5110.5161.5-108.2-88.5000109.5P245 N249P245-Y247 PolarHBondContact O-N 3.26Å; Y247-N249 PolarHBondContact O-N 3.4Å
248S48.6Very low47.4Very low99 Ų99143.9 Ų143.969%0.69281%0.812SS**  trans-63121.5172.440.50000111
249N44.8Very low47.1Very low157 Ų157144.6 Ų144.684%0.8481%0.813SS**  trans-93101163.1-74.9-52.9000108.7Y247Y247-N249 PolarHBondContact O-N 3.4Å
250V47.9Very low47Very low127 Ų127149.6 Ų149.677%0.7782%0.819SS**  trans-91.1112.8157.7178.30000106
251L48.7Very low47.3Very low163 Ų163152.4 Ų152.485%0.85382%0.823SS**PPolyproline II helixtrans-102.4122.9166.4-82.5173.1000109.1
252P49.7Very low46.8Very low111 Ų111153.9 Ų153.972%0.72182%0.82SS**PPolyproline II helixtrans-76.9143.3171.6-13.829.6000112.8
253S39.9Very low47.1Very low116 Ų116160.1 Ų160.181%0.81183%0.833SS**PPolyproline II helixtrans-58.5143.1170.7-67.40000113.7
254Y46.5Very low47Very low304 Ų304159.6 Ų159.6100%1.19283%0.829SS**  trans-132.30146.5-96.9-83.9000108.7

Retrieved 254 of 254 residues in 94.9 ms (Link to these results)