A0A077ZL42_TRITR Loading...

Vps51p

AlphaFold DB , UniProt , Accession A0A077ZL42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M40.6Very low48.1Very low248 Ų248161.2 Ų161.2100%1.22283%0.825SS**  0101.30-74.4163.8164.600105.6
2S48.6Very low47.2Very low108 Ų108160.6 Ų160.676%0.75582%0.823SS**  cis-145.4127.420.149.20000108.9
3D48.4Very low46.4Very low165 Ų165162.1 Ų162.188%0.88283%0.832SS**  trans-79.3123.8177.1-71.1-59.3000111.1
4I59.6Low46.2Very low148 Ų148161.6 Ų161.676%0.75983%0.83SS**  trans-107.4125.6166.2-62.3170.3000106.3
5P49.4Very low45.3Very low101 Ų101155.4 Ų155.466%0.65682%0.822SS**  trans-71.4132.3-172.325.2-31.4000113.3Q7P5-Q7 PolarHBondContact O-N 3.47Å
6D54.8Low44.6Very low134 Ų134152.4 Ų152.472%0.71782%0.817SS**G310 helixtrans-58.27.5-172.4-89.9-36.5000118.1
7Q50.4Low44Very low171 Ų171150.5 Ų150.580%0.79982%0.815SS**G310 helixtrans-84.6-13.8-173.7-70.6-85.610.500113.9P5P5-Q7 PolarHBondContact O-N 3.47Å
8F49.5Very low43.6Very low199 Ų199150.6 Ų150.687%0.87382%0.815SS**G310 helixtrans-97.62.7177.1-75.8-83000114.2
9K43.6Very low43.1Very low182 Ų182150.3 Ų150.379%0.79181%0.813SS**SBendtrans-104.72.6-172.9-134.2175.5-175.4-179.30114.8
10K44.3Very low42.5Very low184 Ų184150.4 Ų150.480%0.881%0.813SS**  trans-118.396.5175.1-74.3178.51791760108.7
11T39.7Very low42.3Very low133 Ų133151 Ų15182%0.81682%0.815SS**SBendtrans170.279.2140.7-63.20000108.6
12L37.9Very low41.6Very low154 Ų154142.9 Ų142.981%0.80680%0.795SS**  trans166.677138.3-113115.1000108.6
13L35.9Very low41.2Very low180 Ų180143.3 Ų143.394%0.94279%0.793SS**  trans-106.580159.5-94.8166000106.8
14I43.5Very low40.4Very low155 Ų155143 Ų14380%0.79579%0.791SS**  trans-151.7114.7159.8-48.2175.2000102.1
15G33.2Very low39.2Very low69 Ų69144.2 Ų144.271%0.71180%0.798SS**  cis143.6102.522.100000105.8
16S33.9Very low38.4Very low108 Ų108143.2 Ų143.276%0.75580%0.799SS**  trans61.3141.8168.7-810000122.7
17P35.1Very low37.4Very low119 Ų119146.3 Ų146.377%0.77381%0.809SS**  trans-82.7115170.534.4-25.3000108.6
18D36.1Very low36.8Very low152 Ų152146.6 Ų146.681%0.81381%0.81SS**  trans-132.5111.4166.8-81.8-46.6000109.3
19D35.1Very low36.1Very low145 Ų145146.1 Ų146.178%0.77581%0.808SS**  trans-47.3151.8157.2-65.2-53.3000110
20N31.4Very low35.7Very low152 Ų152145 Ų14581%0.81381%0.81SS**  trans98.480.1173.9-45.3-56.4000116.6
21L36.8Very low35.2Very low163 Ų163140.6 Ų140.685%0.85381%0.808SS**  trans-150.687.2140.3-139.978.6000111.1V23L21-V23 HydrophobicContact CD2-CG2 4.41Å; L21-V23 HydrophobicContact CG-CG2 4.42Å
22G27.3Very low35.1Very low79 Ų79141 Ų14181%0.81481%0.81SS**  trans-74.3126.1161.600000109.6
23V40Very low34.8Very low117 Ų117138.8 Ų138.871%0.70981%0.808SS**  trans-133.3111.8166177.70000108L21L21-V23 HydrophobicContact CD2-CG2 4.41Å; L21-V23 HydrophobicContact CG-CG2 4.42Å
24N31.4Very low34.8Very low157 Ų157136.4 Ų136.484%0.8480%0.801SS**  trans-61.5124.4178-90.4-77.4000111.3
25L35.3Very low34.2Very low175 Ų175133.7 Ų133.792%0.91680%0.801SS**  trans-87.697.5162.5-106.269.7000108.8
26A31.2Very low34.1Very low80 Ų80133.9 Ų133.966%0.66180%0.803SS**  trans-154.4133.216300000109.7
27E34.2Very low34.2Very low198 Ų198135.5 Ų135.593%0.92581%0.808SS**  trans71.5125.9-177.7-66177.3108.600114
28E37.2Very low34.3Very low178 Ų178135.4 Ų135.483%0.83281%0.807SS**  -165.1129.664.4-170.5178.2142.200110.8
29K34.3Very low34.6Very low189 Ų189136.3 Ų136.382%0.82281%0.807SS**  trans-67.7135.9161.4-92.8173.1166.1174.10108.5
30N36.2Very low34.8Very low157 Ų157138.6 Ų138.684%0.8481%0.81SS**  -170.3144123.6-99.9-36.3000114.9
31A33.1Very low35Very low92 Ų92136.7 Ų136.776%0.7681%0.807SS**  trans-74.9139.4-174.200000113.1
32V38.1Very low35.1Very low141 Ų141137.9 Ų137.986%0.85581%0.808SS**  trans-129.1109.1154.8-179.70000108
33S31.9Very low36.1Very low109 Ų109141.2 Ų141.276%0.76280%0.802SS**  trans-94.7117.8172.1165.30000108.3
34V36.3Very low36.2Very low130 Ų130141.3 Ų141.379%0.78881%0.805SS**  trans-153.6105.5151.2-173.50000110.7
35A31.2Very low36.7Very low98 Ų98142.2 Ų142.281%0.8181%0.805SS**SBendtrans46.8116.2142.200000121.3
36G30.9Very low36.8Very low72 Ų72138.9 Ų138.974%0.74280%0.802SS**  trans121.448.7147.700000116.9P38G36-P38 VanDerWaalsContact O-CD 3.28Å; G36-P38 WeakPolarHBondContact O-CD 3.35Å
37V36.2Very low37.1Very low143 Ų143139.1 Ų139.187%0.86780%0.799SS**  trans-98.4105.3170.7-178.40000109.3E39V37-E39 PolarHBondContact O-N 2.92Å
38P37.3Very low37.3Very low116 Ų116137.2 Ų137.275%0.75380%0.795SS**  trans-75.8116.7164.929.7-28.3000109.5G36G36-P38 VanDerWaalsContact O-CD 3.28Å; G36-P38 WeakPolarHBondContact O-CD 3.35Å
39E42.4Very low37.1Very low172 Ų172133.9 Ų133.980%0.80480%0.798SS**SBendtrans54.589.7139.4-148.4164.3179.200119.2V37V37-E39 PolarHBondContact O-N 2.92Å
40K37.4Very low37.5Very low192 Ų192133 Ų13384%0.83580%0.797SS**  trans42.482.9140.3-64.1-176.6176.6-176.40117.8
41C36.3Very low37.8Very low112 Ų112131.2 Ų131.276%0.75780%0.796SS**  trans-94.4101.1146-67.90000108.4H43C41-H43 PolarHBondContact O-N 3.33Å; C41-H43 VanDerWaalsContact O-N 3.11Å
42E39.4Very low38.6Very low189 Ų189131.2 Ų131.288%0.88378%0.783SS**  trans-69.597.8167.3-85.9178135.600108.5
43H47.9Very low39.2Very low149 Ų149128.3 Ų128.369%0.6977%0.765SS**  trans-73.3131.4164.3-78.1-77.5000108.9C41 Q45C41-H43 PolarHBondContact O-N 3.33Å; C41-H43 VanDerWaalsContact O-N 3.11Å; H43-Q45 PolarHBondContact O-N 3.44Å; H43-Q45 VanDerWaalsContact O-N 3.13Å
44P42.7Very low40.2Very low119 Ų119130.7 Ų130.777%0.77376%0.762SS**  trans-62.6120.3171.925.4-30000108.1A46P44-A46 PolarHBondContact O-N 3.06Å
45Q40.6Very low40.9Very low176 Ų176132.6 Ų132.682%0.82276%0.762SS**  trans-58.2113.8167.8-73.6-174.51.700107.4H43 S47H43-Q45 PolarHBondContact O-N 3.44Å; H43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-S47 PolarHBondContact O-N 3.13Å
46A39.2Very low42Very low105 Ų105134.1 Ų134.187%0.86875%0.753SS**  trans-70.962.4171.900000110P44P44-A46 PolarHBondContact O-N 3.06Å
47S35.8Very low43Very low85 Ų85136.1 Ų136.159%0.59474%0.744SS**  trans-98.168.7166.965.60000107.8Q45Q45-S47 PolarHBondContact O-N 3.13Å
48N38.2Very low43.8Very low158 Ų158135.8 Ų135.885%0.84573%0.731SS**SBendtrans178.6131.2147.5-93.5-40000109.4Q50N48-Q50 PolarHBondContact O-N 3.17Å
49A33.4Very low44.5Very low107 Ų107133.8 Ų133.888%0.88473%0.725SS**  trans-57.3104.2175.200000110.7
50Q43.3Very low44.9Very low172 Ų172132.9 Ų132.980%0.80473%0.725SS**  trans-151.3133.4155.9-112.7169.27.500108N48 I52N48-Q50 PolarHBondContact O-N 3.17Å; Q50-I52 PolarHBondContact O-N 3.31Å
51S42.6Very low45.6Very low118 Ų118129.9 Ų129.983%0.82571%0.714SS**  trans-6491.7-178.951.60000110.2
52I50.7Low46.4Very low93 Ų93133.9 Ų133.948%0.47772%0.722SS.*  trans-77.4122.9170.5-55.9164.9000106.3Q50 E56 M57Q50-I52 PolarHBondContact O-N 3.31Å; I52-E56 HydrophobicContact CG2-CB 3.6Å; I52-M57 HydrophobicContact CB-CE 4.07Å; I52-M57 HydrophobicContact CG2-CE 4.26Å; I52-M57 HydrophobicContact CG2-CG 3.97Å
53T50.7Low46.9Very low80 Ų80132.7 Ų132.749%0.49172%0.721SS.*  trans-69.6149.3177.4540000109.8E55 E56 M57T53-E55 PolarHBondContact O-N 3.29Å; T53-E55 VanDerWaalsContact O-N 3.08Å; T53-E56 PolarHBondContact O-N 3.14Å; T53-M57 PolarHBondContact O-N 2.89Å
54F52.5Low46.5Very low159 Ų159129.4 Ų129.470%0.69772%0.715SS**Hα-helixtrans-56.1-27.3178.7-169.2-95.3000111.7F58F54-F58 HydrophobicContact CD1-CD2 4.18Å; F54-F58 HydrophobicContact CD1-CE2 4.16Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 AromaticContact CE1-CD2 3.95Å; F54-F58 HydrophobicContact CE1-CD2 3.95Å; F54-F58 AromaticContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE2-CD2 4.45Å; F54-F58 AromaticContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CZ 4.25Å; F54-F58 HydrophobicContact CG-CE2 4.29Å; F54-F58 HydrophobicContact CZ-CD2 4.1Å; F54-F58 AromaticContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CZ 4.03Å; F54-F58 VanDerWaalsContact O-CD2 3.31Å; F54-F58 WeakPolarHBondContact O-CD2 3.47Å
55E49.9Very low46.7Very low169 Ų169133.5 Ų133.579%0.7972%0.72SS**Hα-helixtrans-67.4-32173.4-87.4178.7118.900114.2T53T53-E55 PolarHBondContact O-N 3.29Å; T53-E55 VanDerWaalsContact O-N 3.08Å
56E54.1Low47.1Very low130 Ų130131.1 Ų131.161%0.60771%0.712SS**Hα-helixtrans-77.3-25.6178.4-101.7175.8146.800113I52 T53 F58I52-E56 HydrophobicContact CG2-CB 3.6Å; T53-E56 PolarHBondContact O-N 3.14Å; E56-F58 VanDerWaalsContact C-N 3.27Å; E56-F58 PolarHBondContact O-N 2.82Å
57M52.5Low47.1Very low114 Ų114128.1 Ų128.156%0.56269%0.691SS**Hα-helixtrans-73.1-18.1179.3-73.3-170.2-168.200113.8I52 T53I52-M57 HydrophobicContact CB-CE 4.07Å; I52-M57 HydrophobicContact CG2-CE 4.26Å; I52-M57 HydrophobicContact CG2-CG 3.97Å; T53-M57 PolarHBondContact O-N 2.89Å
58F53.8Low47.7Very low136 Ų136131.2 Ų131.260%0.59671%0.706SS**SBendtrans-116.60.8-175.9-66.6-79.9000114F54 E56 D60F54-F58 HydrophobicContact CD1-CD2 4.18Å; F54-F58 HydrophobicContact CD1-CE2 4.16Å; F54-F58 AromaticContact CD2-CE2 3.99Å; F54-F58 HydrophobicContact CD2-CE2 3.99Å; F54-F58 AromaticContact CE1-CD2 3.95Å; F54-F58 HydrophobicContact CE1-CD2 3.95Å; F54-F58 AromaticContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE1-CE2 3.71Å; F54-F58 HydrophobicContact CE2-CD2 4.45Å; F54-F58 AromaticContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CE2 3.53Å; F54-F58 HydrophobicContact CE2-CZ 4.25Å; F54-F58 HydrophobicContact CG-CE2 4.29Å; F54-F58 HydrophobicContact CZ-CD2 4.1Å; F54-F58 AromaticContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CE2 3.37Å; F54-F58 HydrophobicContact CZ-CZ 4.03Å; F54-F58 VanDerWaalsContact O-CD2 3.31Å; F54-F58 WeakPolarHBondContact O-CD2 3.47Å; E56-F58 VanDerWaalsContact C-N 3.27Å; E56-F58 PolarHBondContact O-N 2.82Å; F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 3.47Å
59A50.7Low48.2Very low75 Ų75132.3 Ų132.362%0.6271%0.706SS**THydrogen-bonded Turntrans-77-15.5-177.600000114.5
60D51.4Low48.7Very low152 Ų152129.8 Ų129.881%0.81369%0.691SS**THydrogen-bonded Turntrans-109.515-172.3-108-8.8000114.9F58F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 3.47Å
61H51.9Low49.1Very low130 Ų130124.7 Ų124.760%0.60267%0.669SS**  trans-128.557-177.3-79.9-64.3000113.1D63 C64H61-D63 PolarHBondContact O-N 3.4Å; H61-C64 HydrophobicContact CB-CB 4.34Å
62E52.4Low49.5Very low195 Ų195123.8 Ų123.891%0.91166%0.659SS**SBendtrans-70.7-17.3167.3-78.7-165.8146.500113.1
63D50.3Low49.7Very low164 Ų164122.9 Ų122.988%0.87767%0.665SS**SBendtrans-101.4-0.6-176.5-73.3-39.3000115.3H61 K65H61-D63 PolarHBondContact O-N 3.4Å; D63-K65 PolarHBondContact O-N 2.9Å; D63-K65 VanDerWaalsContact O-N 3.07Å
64C40.4Very low49.8Very low81 Ų81124.2 Ų124.255%0.54767%0.669SS.*  trans-86.186.5177.3-142.90000109.7H61 I66H61-C64 HydrophobicContact CB-CB 4.34Å; C64-I66 VanDerWaalsContact C-N 3.28Å; C64-I66 PolarHBondContact O-N 2.93Å
65K45.8Very low49.8Very low205 Ų205117.9 Ų117.989%0.89164%0.642SS**  trans-55.397.4159.7-97.8-177.6176177.70107.6D63 G67D63-K65 PolarHBondContact O-N 2.9Å; D63-K65 VanDerWaalsContact O-N 3.07Å; K65-G67 PolarHBondContact O-N 3.34Å
66I49Very low50.1Low126 Ų126114.5 Ų114.565%0.64663%0.629SS**  trans-67.582.9168.7-57.4170.1000106.1C64 T68C64-I66 VanDerWaalsContact C-N 3.28Å; C64-I66 PolarHBondContact O-N 2.93Å; I66-T68 PolarHBondContact O-N 2.84Å
67G38.8Very low50.4Low41 Ų41112.7 Ų112.742%0.42363%0.631SS.*  trans-62.5131.2169.700000108K65 E69 G70K65-G67 PolarHBondContact O-N 3.34Å; G67-E69 PolarHBondContact O-N 3.5Å; G67-G70 PolarHBondContact O-N 3.34Å
68T49.6Very low50.6Low150 Ų150109.9 Ų109.992%0.9262%0.618SS**THydrogen-bonded Turntrans-57.24.9-178.838.90000115.4I66I66-T68 PolarHBondContact O-N 2.84Å
69E47.7Very low50.9Low181 Ų181107.3 Ų107.385%0.84662%0.615SS**THydrogen-bonded Turntrans-121.1-6.6178.1-68.2-173.2128.300114G67G67-E69 PolarHBondContact O-N 3.5Å
70G45.6Very low51.3Low55 Ų55107.9 Ų107.957%0.56761%0.614SS**SBendtrans-93.9-13.2-174.400000116.2G67G67-G70 PolarHBondContact O-N 3.34Å
71N51.4Low51.6Low65 Ų65106.9 Ų106.935%0.34861%0.609SS.*SBendtrans-91.2-5.6-169.1-112.1-6.5000115I75N71-I75 WeakPolarHBondContact O-CD1 3.36Å; N71-I75 WeakPolarHBondContact O-CG1 3.22Å
72T51.1Low51.8Low98 Ų98103.9 Ų103.960%0.60160%0.6SS**Hα-helixtrans-73.6-33.4176.246.20000111.9L74 I75 D76T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3.35Å; T72-I75 PolarHBondContact O-N 2.88Å; T72-D76 PolarHBondContact O-N 3.29Å
73A53.9Low51.7Low74 Ų7497.7 Ų97.761%0.61257%0.568SS**Hα-helixtrans-66.1-30.9178.600000113
74L53.5Low51.9Low109 Ų10996.4 Ų96.457%0.57156%0.56SS**Hα-helixtrans-77.4-30.2178.1-143.1100.5000112.2T72 D76 S77 L78T72-L74 VanDerWaalsContact C-N 3.3Å; T72-L74 PolarHBondContact O-N 3.35Å; L74-D76 VanDerWaalsContact C-N 3.28Å; L74-S77 PolarHBondContact O-OG 3.44Å; L74-L78 WeakPolarHBondContact O-CD1 3.48Å
75I52.9Low52.5Low26 Ų2699.9 Ų99.913%0.13357%0.568CS.*Hα-helixtrans-75.5-23.8177-61.1167000110.4N71 T72 R83 R87 L90N71-I75 WeakPolarHBondContact O-CD1 3.36Å; N71-I75 WeakPolarHBondContact O-CG1 3.22Å; T72-I75 PolarHBondContact O-N 2.88Å; I75-R83 HydrophobicContact CG2-CG 4.33Å; I75-R83 VanDerWaalsContact O-CD 3.27Å; I75-R83 WeakPolarHBondContact O-CD 3.35Å; I75-R83 WeakPolarHBondContact O-CG 3.22Å; I75-R83 PolarHBondContact O-NE 3.37Å; I75-R87 HydrophobicContact CG2-CG 4.12Å; I75-L90 HydrophobicContact CD1-CD1 4.18Å; I75-L90 HydrophobicContact CG1-CD1 4.49Å
76D56.4Low52.8Low97 Ų9791 Ų9152%0.51953%0.533SS..Hα-helixtrans-80.5-17.7-178.3-8130.7000114.1T72 L74 R83T72-D76 PolarHBondContact O-N 3.29Å; L74-D76 VanDerWaalsContact C-N 3.28Å; D76-R83 IonicContact OD1-CZ 3.56Å; D76-R83 IonicContact OD1-NH2 2.56Å; D76-R83 PolarHBondContact OD1-NH2 3.04Å; D76-R83 IonicContact OD2-NH2 3.33Å; D76-R83 PolarHBondContact OD2-NH2 3.27Å
77S60.2Low52.9Low92 Ų9292 Ų9264%0.64353%0.529SS*.THydrogen-bonded Turntrans-89.2-7.5173.761.60000113.9L74L74-S77 PolarHBondContact O-OG 3.44Å
78L55.9Low53.6Low56 Ų5693.4 Ų93.429%0.29354%0.536SS..SBendtrans-79.9144.6178.5-99.172000111.4L74 V82 R83 A86L74-L78 WeakPolarHBondContact O-CD1 3.48Å; L78-V82 HydrophobicContact CD2-CB 4.02Å; L78-V82 HydrophobicContact CD2-CG1 3.63Å; L78-V82 HydrophobicContact CG-CB 4.49Å; L78-V82 HydrophobicContact CG-CG1 4.48Å; L78-R83 HydrophobicContact CB-CG 3.87Å; L78-R83 VanDerWaalsContact O-CD 3.29Å; L78-R83 WeakPolarHBondContact O-CD 3.45Å; L78-R83 WeakPolarHBondContact O-CG 3.4Å; L78-A86 HydrophobicContact CD2-CB 4.11Å
79P59.2Low53.8Low82 Ų8289.3 Ų89.353%0.53252%0.524SS..  trans-53.4143.6172-16.726.1000110.4D81 V82 R83P79-D81 PolarHBondContact O-N 2.96Å; P79-V82 HydrophobicContact CB-CG2 4.15Å; P79-V82 HydrophobicContact CG-CG2 4.06Å; P79-V82 PolarHBondContact O-N 3.4Å; P79-R83 PolarHBondContact O-N 2.92Å; P79-R83 VanDerWaalsContact O-N 3.07Å
80S59.8Low54.1Low86 Ų8686 Ų8660%0.60151%0.511SS*.Hα-helixtrans-46.4-34-178.943.30000113.5V82 R83S80-V82 VanDerWaalsContact C-N 3.33Å; S80-R83 PolarHBondContact O-N 3.45Å
81D58.7Low54.5Low132 Ų13286 Ų8671%0.70651%0.511SS*.Hα-helixtrans-79.1-21.1-173.5-47.8-18.7000111.8P79P79-D81 PolarHBondContact O-N 2.96Å
82V54.4Low54.5Low67 Ų6791 Ų9141%0.40653%0.529SS..Hα-helixtrans-97.3-23.7176.5-162.10000111.2L78 P79 S80 L84 H85 A86L78-V82 HydrophobicContact CD2-CB 4.02Å; L78-V82 HydrophobicContact CD2-CG1 3.63Å; L78-V82 HydrophobicContact CG-CB 4.49Å; L78-V82 HydrophobicContact CG-CG1 4.48Å; P79-V82 HydrophobicContact CB-CG2 4.15Å; P79-V82 HydrophobicContact CG-CG2 4.06Å; P79-V82 PolarHBondContact O-N 3.4Å; S80-V82 VanDerWaalsContact C-N 3.33Å; V82-L84 VanDerWaalsContact C-N 3.26Å; V82-L84 PolarHBondContact O-N 2.96Å; V82-H85 PolarHBondContact O-N 3.49Å; V82-A86 WeakPolarHBondContact O-CB 3.4Å; V82-A86 PolarHBondContact O-N 3.25Å
83R51.9Low54.6Low64 Ų6491.2 Ų91.224%0.24253%0.527CS..Hα-helixtrans-61.5-32.6177.2-72.2179.388.8-177.9-1.8112.9I75 D76 L78 P79 S80 R87I75-R83 HydrophobicContact CG2-CG 4.33Å; I75-R83 VanDerWaalsContact O-CD 3.27Å; I75-R83 WeakPolarHBondContact O-CD 3.35Å; I75-R83 WeakPolarHBondContact O-CG 3.22Å; I75-R83 PolarHBondContact O-NE 3.37Å; D76-R83 IonicContact OD1-CZ 3.56Å; D76-R83 IonicContact OD1-NH2 2.56Å; D76-R83 PolarHBondContact OD1-NH2 3.04Å; D76-R83 IonicContact OD2-NH2 3.33Å; D76-R83 PolarHBondContact OD2-NH2 3.27Å; L78-R83 HydrophobicContact CB-CG 3.87Å; L78-R83 VanDerWaalsContact O-CD 3.29Å; L78-R83 WeakPolarHBondContact O-CD 3.45Å; L78-R83 WeakPolarHBondContact O-CG 3.4Å; P79-R83 PolarHBondContact O-N 2.92Å; P79-R83 VanDerWaalsContact O-N 3.07Å; S80-R83 PolarHBondContact O-N 3.45Å; R83-R87 VanDerWaalsContact O-CB 3.31Å; R83-R87 WeakPolarHBondContact O-CB 3.35Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-N 3.37Å
84L53.8Low54.8Low138 Ų13892.8 Ų92.872%0.72353%0.529SS*.Hα-helixtrans-70.4-40.1178.1-160.274000111.6V82 A88V82-L84 VanDerWaalsContact C-N 3.26Å; V82-L84 PolarHBondContact O-N 2.96Å; L84-A88 VanDerWaalsContact O-CB 3.25Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 3.47Å
85H52.2Low55Low153 Ų15393.8 Ų93.871%0.70854%0.535SS*.Hα-helixtrans-72.7-37.3175.3-91.8-68.8000112.7V82 A88 G89V82-H85 PolarHBondContact O-N 3.49Å; H85-A88 PolarHBondContact O-N 3.07Å; H85-G89 PolarHBondContact O-N 3.38Å
86A52.7Low55.6Low19 Ų1995.9 Ų95.916%0.15755%0.549CS..Hα-helixtrans-64.9-45.1174.500000111.2L78 V82 A88 G89 L90L78-A86 HydrophobicContact CD2-CB 4.11Å; V82-A86 WeakPolarHBondContact O-CB 3.4Å; V82-A86 PolarHBondContact O-N 3.25Å; A86-A88 PolarHBondContact O-N 3.08Å; A86-G89 PolarHBondContact O-N 2.93Å; A86-L90 VanDerWaalsContact O-CB 3.32Å; A86-L90 WeakPolarHBondContact O-CB 3.23Å; A86-L90 WeakPolarHBondContact O-CD1 3.44Å; A86-L90 PolarHBondContact O-N 3.15Å
87R50.8Low56.1Low148 Ų14895.6 Ų95.656%0.55855%0.548SS*.Hα-helixtrans-67.6-33.1176-75.7-177.7174.7161.41.1113.4I75 R83I75-R87 HydrophobicContact CG2-CG 4.12Å; R83-R87 VanDerWaalsContact O-CB 3.31Å; R83-R87 WeakPolarHBondContact O-CB 3.35Å; R83-R87 WeakPolarHBondContact O-CG 3.46Å; R83-R87 PolarHBondContact O-N 3.37Å
88A53.8Low56.8Low69 Ų6994.5 Ų94.557%0.5754%0.54SS*.Hα-helixtrans-75-28.3176.300000113.3L84 H85 A86L84-A88 VanDerWaalsContact O-CB 3.25Å; L84-A88 WeakPolarHBondContact O-CB 3.45Å; L84-A88 PolarHBondContact O-N 3.47Å; H85-A88 PolarHBondContact O-N 3.07Å; A86-A88 PolarHBondContact O-N 3.08Å
89G55Low57.8Low64 Ų6495.6 Ų95.666%0.6655%0.552SS**Hα-helixtrans-85.9-29.8178.500000114.6H85 A86H85-G89 PolarHBondContact O-N 3.38Å; A86-G89 PolarHBondContact O-N 2.93Å
90L53.9Low59Low112 Ų11296.2 Ų96.259%0.58655%0.55SS**SBendtrans-88.4-6.4-179.1-82.8147.5000114.3I75 A86I75-L90 HydrophobicContact CD1-CD1 4.18Å; I75-L90 HydrophobicContact CG1-CD1 4.49Å; A86-L90 VanDerWaalsContact O-CB 3.32Å; A86-L90 WeakPolarHBondContact O-CB 3.23Å; A86-L90 WeakPolarHBondContact O-CD1 3.44Å; A86-L90 PolarHBondContact O-N 3.15Å
91G52.6Low60.1Low54 Ų5499.2 Ų99.256%0.55755%0.553SS**  trans-115.614.9-169.700000116
92K51.2Low61.5Low170 Ų17094.8 Ų94.874%0.73954%0.538SS*.SBendtrans-10961.7-177.3-163.5170.6-177.21650112.2T94K92-T94 PolarHBondContact O-N 2.82Å; K92-T94 PolarHBondContact O-OG1 3.41Å
93D54.6Low63.3Low104 Ų10495 Ų9556%0.55654%0.543SS*.  trans28.335.5154.4-63.8-31.2000118.6D95 T96 N97D93-D95 PolarHBondContact O-N 3.31Å; D93-T96 PolarHBondContact O-N 2.93Å; D93-N97 PolarHBondContact O-N 2.93Å; D93-N97 VanDerWaalsContact O-N 3.12Å; D93-N97 PolarHBondContact O-ND2 3.39Å
94T56.8Low65.2Low106 Ų10698.6 Ų98.665%0.6556%0.561SS**Hα-helixtrans-69.1-30.8175.6200000109.9K92 S98K92-T94 PolarHBondContact O-N 2.82Å; K92-T94 PolarHBondContact O-OG1 3.41Å; T94-S98 WeakPolarHBondContact O-CB 3.23Å; T94-S98 PolarHBondContact O-N 2.82Å; T94-S98 PolarHBondContact O-OG 3.34Å
95D58.9Low66.9Low130 Ų13098.4 Ų98.470%0.69555%0.554SS**Hα-helixtrans-70.9-38.2175.5-59-24.9000111.6D93 S98 S99D93-D95 PolarHBondContact O-N 3.31Å; D95-S98 WeakPolarHBondContact CA-OG 3.29Å; D95-S98 PolarHBondContact O-OG 3.29Å; D95-S98 VanDerWaalsContact O-OG 3.08Å; D95-S99 WeakPolarHBondContact O-CB 3.48Å; D95-S99 PolarHBondContact O-N 3.32Å
96T65.6Low68.8Low71 Ų7193.9 Ų93.944%0.43654%0.543SS..Hα-helixtrans-68.8-47.1178.3-510000111D93 S99 I100D93-T96 PolarHBondContact O-N 2.93Å; T96-S99 PolarHBondContact O-N 3.36Å; T96-I100 HydrophobicContact CG2-CD1 3.89Å; T96-I100 WeakPolarHBondContact O-CB 3.5Å; T96-I100 WeakPolarHBondContact O-CD1 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.2Å; T96-I100 PolarHBondContact O-N 2.91Å
97N66.8Low70.8Confident90 Ų9099.1 Ų99.148%0.48156%0.563SS.*Hα-helixtrans-66.2-45.6178.4-70.5-45.1000111.3D93 S99 I100 F101D93-N97 PolarHBondContact O-N 2.93Å; D93-N97 VanDerWaalsContact O-N 3.12Å; D93-N97 PolarHBondContact O-ND2 3.39Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 3.49Å; N97-I100 PolarHBondContact O-N 3.24Å; N97-F101 HydrophobicContact CB-CD2 4.44Å; N97-F101 HydrophobicContact CB-CE2 4.45Å; N97-F101 WeakPolarHBondContact O-CD2 3.37Å; N97-F101 PolarHBondContact O-N 3.47Å
98S74.3Confident72.9Confident69 Ų6994.9 Ų94.948%0.48355%0.553SS.*Hα-helixtrans-62.2-38.8177.961.30000112.3T94 D95 F101 G102T94-S98 WeakPolarHBondContact O-CB 3.23Å; T94-S98 PolarHBondContact O-N 2.82Å; T94-S98 PolarHBondContact O-OG 3.34Å; D95-S98 WeakPolarHBondContact CA-OG 3.29Å; D95-S98 PolarHBondContact O-OG 3.29Å; D95-S98 VanDerWaalsContact O-OG 3.08Å; S98-F101 PolarHBondContact O-N 2.94Å; S98-G102 PolarHBondContact O-N 3.43Å
99S77.7Confident74.8Confident79 Ų7996 Ų9655%0.55255%0.548SS*.Hα-helixtrans-65.5-42.5174.8-175.50000112.6D95 T96 N97 G102 S103D95-S99 WeakPolarHBondContact O-CB 3.48Å; D95-S99 PolarHBondContact O-N 3.32Å; T96-S99 PolarHBondContact O-N 3.36Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 3.49Å; S99-G102 PolarHBondContact O-N 2.89Å; S99-S103 WeakPolarHBondContact O-CB 3.33Å; S99-S103 PolarHBondContact O-N 3.48Å; S99-S103 PolarHBondContact O-OG 3.27Å
100I83.6Confident76.6Confident96 Ų9699.8 Ų99.849%0.49255%0.546SS..Hα-helixtrans-64.2-45.6175.6-67.4165000110.6T96 N97 S103 F104T96-I100 HydrophobicContact CG2-CD1 3.89Å; T96-I100 WeakPolarHBondContact O-CB 3.5Å; T96-I100 WeakPolarHBondContact O-CD1 3.42Å; T96-I100 WeakPolarHBondContact O-CG1 3.2Å; T96-I100 PolarHBondContact O-N 2.91Å; N97-I100 PolarHBondContact O-N 3.24Å; I100-S103 PolarHBondContact O-OG 3.02Å; I100-F104 WeakPolarHBondContact O-CB 3.32Å; I100-F104 PolarHBondContact O-N 2.9Å
101F83.5Confident78.5Confident149 Ų14996 Ų9665%0.65453%0.528SS*.Hα-helixtrans-63.9-41.6176.7-79.1-67.4000112.1N97 S98 F105N97-F101 HydrophobicContact CB-CD2 4.44Å; N97-F101 HydrophobicContact CB-CE2 4.45Å; N97-F101 WeakPolarHBondContact O-CD2 3.37Å; N97-F101 PolarHBondContact O-N 3.47Å; S98-F101 PolarHBondContact O-N 2.94Å; F101-F105 WeakPolarHBondContact O-CB 3.44Å; F101-F105 PolarHBondContact O-N 3.41Å
102G88.6Confident80.3Confident39 Ų3997 Ų9740%0.40252%0.523SS..Hα-helixtrans-64.5-44.817800000112.7S98 S99 F105 A106S98-G102 PolarHBondContact O-N 3.43Å; S99-G102 PolarHBondContact O-N 2.89Å; G102-F105 PolarHBondContact O-N 2.92Å; G102-A106 WeakPolarHBondContact O-CB 3.31Å; G102-A106 PolarHBondContact O-N 2.89Å
103S90.3Very high82.2Confident72 Ų7293.1 Ų93.150%0.50351%0.513SS..Hα-helixtrans-66.3-40.7177.557.90000112.4S99 I100 A106 F107S99-S103 WeakPolarHBondContact O-CB 3.33Å; S99-S103 PolarHBondContact O-N 3.48Å; S99-S103 PolarHBondContact O-OG 3.27Å; I100-S103 PolarHBondContact O-OG 3.02Å; S103-A106 PolarHBondContact O-N 2.75Å; S103-F107 WeakPolarHBondContact O-CB 3.48Å; S103-F107 PolarHBondContact O-N 3.49Å
104F92.2Very high83.9Confident139 Ų13993 Ų9361%0.6151%0.508SS*.Hα-helixtrans-63.2-45.7174.6-174.6-99.2000111.8I100 A106 F107 V108I100-F104 WeakPolarHBondContact O-CB 3.32Å; I100-F104 PolarHBondContact O-N 2.9Å; F104-A106 PolarHBondContact O-N 2.85Å; F104-F107 PolarHBondContact O-N 3.03Å; F104-V108 HydrophobicContact CD1-CG2 4.31Å; F104-V108 HydrophobicContact CE1-CG2 3.92Å; F104-V108 HydrophobicContact CZ-CG2 4.1Å; F104-V108 WeakPolarHBondContact O-CG2 3.45Å; F104-V108 PolarHBondContact O-N 3.29Å
105F91Very high85.3Confident134 Ų13494.6 Ų94.659%0.58851%0.506SS*.Hα-helixtrans-61.6-44.6176.7-177.9-99.7000111.9F101 G102 F107 V108 M109F101-F105 WeakPolarHBondContact O-CB 3.44Å; F101-F105 PolarHBondContact O-N 3.41Å; G102-F105 PolarHBondContact O-N 2.92Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 3.44Å; F105-V108 PolarHBondContact O-N 2.99Å; F105-M109 HydrophobicContact CD1-CG 4.16Å; F105-M109 HydrophobicContact CE1-CG 3.75Å; F105-M109 HydrophobicContact CE2-CG 4.25Å; F105-M109 HydrophobicContact CE2-SD 4.45Å; F105-M109 HydrophobicContact CZ-CG 3.8Å; F105-M109 HydrophobicContact CZ-SD 4.05Å; F105-M109 WeakPolarHBondContact O-CG 3.17Å; F105-M109 PolarHBondContact O-N 3.43Å
106A91.9Very high86.6Confident57 Ų5794.5 Ų94.547%0.47150%0.5SS..Hα-helixtrans-60.8-40.5176.200000112.1G102 S103 F104 M109 F110G102-A106 WeakPolarHBondContact O-CB 3.31Å; G102-A106 PolarHBondContact O-N 2.89Å; S103-A106 PolarHBondContact O-N 2.75Å; F104-A106 PolarHBondContact O-N 2.85Å; A106-M109 PolarHBondContact O-N 2.95Å; A106-F110 VanDerWaalsContact O-CB 3.3Å; A106-F110 WeakPolarHBondContact O-CB 3.3Å; A106-F110 PolarHBondContact O-N 3.08Å
107F94.5Very high87.5Confident130 Ų13094.2 Ų94.257%0.5750%0.5SS*.Hα-helixtrans-64.1-43.4176.4-179.7-98.7000112.4S103 F104 F105 F110 T111S103-F107 WeakPolarHBondContact O-CB 3.48Å; S103-F107 PolarHBondContact O-N 3.49Å; F104-F107 PolarHBondContact O-N 3.03Å; F105-F107 VanDerWaalsContact C-N 3.32Å; F105-F107 PolarHBondContact O-N 3.44Å; F107-F110 PolarHBondContact O-N 2.83Å; F107-T111 HydrophobicContact CD1-CG2 4.29Å; F107-T111 HydrophobicContact CD2-CG2 4.35Å; F107-T111 HydrophobicContact CE1-CG2 3.89Å; F107-T111 HydrophobicContact CE2-CG2 3.95Å; F107-T111 HydrophobicContact CZ-CG2 3.7Å; F107-T111 WeakPolarHBondContact O-CB 3.24Å; F107-T111 VanDerWaalsContact O-CG2 3.32Å; F107-T111 WeakPolarHBondContact O-CG2 3.35Å; F107-T111 PolarHBondContact O-N 2.95Å; F107-T111 PolarHBondContact O-OG1 3.41Å
108V94.7Very high88.3Confident58 Ų5893.9 Ų93.935%0.35250%0.498SS..Hα-helixtrans-64-43.4176.2173.80000111.1F104 F105 T111 T112F104-V108 HydrophobicContact CD1-CG2 4.31Å; F104-V108 HydrophobicContact CE1-CG2 3.92Å; F104-V108 HydrophobicContact CZ-CG2 4.1Å; F104-V108 WeakPolarHBondContact O-CG2 3.45Å; F104-V108 PolarHBondContact O-N 3.29Å; F105-V108 PolarHBondContact O-N 2.99Å; V108-T111 WeakPolarHBondContact CA-OG1 3.42Å; V108-T111 PolarHBondContact O-OG1 2.86Å; V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 VanDerWaalsContact O-CG2 3.24Å; V108-T112 WeakPolarHBondContact O-CG2 3.45Å; V108-T112 PolarHBondContact O-N 3.46Å; V108-T112 PolarHBondContact O-OG1 2.97Å
109M92.8Very high88.6Confident94 Ų9498.5 Ų98.546%0.46351%0.505SS..Hα-helixtrans-64.7-42.5176.7-68.8-62.9-74.100111.9F105 A106 T112 V113F105-M109 HydrophobicContact CD1-CG 4.16Å; F105-M109 HydrophobicContact CE1-CG 3.75Å; F105-M109 HydrophobicContact CE2-CG 4.25Å; F105-M109 HydrophobicContact CE2-SD 4.45Å; F105-M109 HydrophobicContact CZ-CG 3.8Å; F105-M109 HydrophobicContact CZ-SD 4.05Å; F105-M109 WeakPolarHBondContact O-CG 3.17Å; F105-M109 PolarHBondContact O-N 3.43Å; A106-M109 PolarHBondContact O-N 2.95Å; M109-T112 WeakPolarHBondContact CA-OG1 3.24Å; M109-T112 PolarHBondContact O-OG1 2.96Å; M109-V113 WeakPolarHBondContact O-CB 3.4Å; M109-V113 VanDerWaalsContact O-CG2 3.27Å; M109-V113 WeakPolarHBondContact O-CG2 3.45Å; M109-V113 PolarHBondContact O-N 2.92Å; M109-V113 VanDerWaalsContact O-N 3.08Å
110F94Very high88.6Confident142 Ų142100 Ų10062%0.62350%0.502SS*.Hα-helixtrans-62.9-48.3177.3178.8-99.1000112A106 F107 V113 F114A106-F110 VanDerWaalsContact O-CB 3.3Å; A106-F110 WeakPolarHBondContact O-CB 3.3Å; A106-F110 PolarHBondContact O-N 3.08Å; F107-F110 PolarHBondContact O-N 2.83Å; F110-V113 PolarHBondContact O-N 3.45Å; F110-F114 VanDerWaalsContact O-CB 3.24Å; F110-F114 WeakPolarHBondContact O-CB 3.42Å; F110-F114 PolarHBondContact O-N 2.89Å
111T92.7Very high88Confident34 Ų3499.8 Ų99.821%0.20950%0.497CS..Hα-helixtrans-64.8-42.5-179.350.60000111.9F107 V108 F114 F115F107-T111 HydrophobicContact CD1-CG2 4.29Å; F107-T111 HydrophobicContact CD2-CG2 4.35Å; F107-T111 HydrophobicContact CE1-CG2 3.89Å; F107-T111 HydrophobicContact CE2-CG2 3.95Å; F107-T111 HydrophobicContact CZ-CG2 3.7Å; F107-T111 WeakPolarHBondContact O-CB 3.24Å; F107-T111 VanDerWaalsContact O-CG2 3.32Å; F107-T111 WeakPolarHBondContact O-CG2 3.35Å; F107-T111 PolarHBondContact O-N 2.95Å; F107-T111 PolarHBondContact O-OG1 3.41Å; V108-T111 WeakPolarHBondContact CA-OG1 3.42Å; V108-T111 PolarHBondContact O-OG1 2.86Å; T111-F114 PolarHBondContact O-N 3.42Å; T111-F115 WeakPolarHBondContact O-CD2 3.38Å; T111-F115 PolarHBondContact O-N 2.96Å
112T90.9Very high87.6Confident73 Ų7397.1 Ų97.145%0.44850%0.498SS..Hα-helixtrans-63.1-44.3177.151.30000112.5V108 M109 F116V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 WeakPolarHBondContact O-CB 3.46Å; V108-T112 VanDerWaalsContact O-CG2 3.24Å; V108-T112 WeakPolarHBondContact O-CG2 3.45Å; V108-T112 PolarHBondContact O-N 3.46Å; V108-T112 PolarHBondContact O-OG1 2.97Å; M109-T112 WeakPolarHBondContact CA-OG1 3.24Å; M109-T112 PolarHBondContact O-OG1 2.96Å; T112-F116 VanDerWaalsContact O-CB 3.31Å; T112-F116 WeakPolarHBondContact O-CB 3.34Å; T112-F116 PolarHBondContact O-N 3Å
113V91.6Very high86.9Confident89 Ų89100.9 Ų100.954%0.53951%0.505SS..Hα-helixtrans-64.2-41.4175.1172.80000111.3M109 F110 F116 S117M109-V113 WeakPolarHBondContact O-CB 3.4Å; M109-V113 VanDerWaalsContact O-CG2 3.27Å; M109-V113 WeakPolarHBondContact O-CG2 3.45Å; M109-V113 PolarHBondContact O-N 2.92Å; M109-V113 VanDerWaalsContact O-N 3.08Å; F110-V113 PolarHBondContact O-N 3.45Å; V113-F116 PolarHBondContact O-N 3.27Å; V113-S117 WeakPolarHBondContact O-CB 3.27Å; V113-S117 PolarHBondContact O-N 3.41Å; V113-S117 PolarHBondContact O-OG 2.9Å
114F89.9Confident86Confident103 Ų103103.1 Ų103.145%0.45251%0.507SS..Hα-helixtrans-61.8-50177.7-178.5-103.2000111.7F110 T111 F116 S117 L118F110-F114 VanDerWaalsContact O-CB 3.24Å; F110-F114 WeakPolarHBondContact O-CB 3.42Å; F110-F114 PolarHBondContact O-N 2.89Å; T111-F114 PolarHBondContact O-N 3.42Å; F114-F116 PolarHBondContact O-N 2.89Å; F114-S117 WeakPolarHBondContact O-CB 3.41Å; F114-S117 PolarHBondContact O-N 3.42Å; F114-L118 HydrophobicContact CD1-CD1 3.91Å; F114-L118 HydrophobicContact CD1-CG 4.47Å; F114-L118 HydrophobicContact CE1-CD1 3.37Å; F114-L118 HydrophobicContact CE1-CG 4.17Å; F114-L118 HydrophobicContact CZ-CD1 3.74Å; F114-L118 HydrophobicContact CZ-CD2 4.46Å; F114-L118 HydrophobicContact CZ-CG 4.23Å; F114-L118 WeakPolarHBondContact O-CG 3.48Å; F114-L118 PolarHBondContact O-N 2.83Å
115F86.8Confident85.1Confident138 Ų138100.2 Ų100.261%0.60550%0.502SS*.Hα-helixtrans-64.4-38.9177.1-82.1-68.2000112.7T111 S117 L118 W119T111-F115 WeakPolarHBondContact O-CD2 3.38Å; T111-F115 PolarHBondContact O-N 2.96Å; F115-S117 VanDerWaalsContact C-N 3.31Å; F115-S117 PolarHBondContact O-N 2.94Å; F115-L118 PolarHBondContact O-N 3.17Å; F115-W119 WeakPolarHBondContact O-CB 3.37Å; F115-W119 PolarHBondContact O-N 3.12Å
116F84.9Confident84.4Confident129 Ų129101.1 Ų101.157%0.56651%0.508SS*.Hα-helixtrans-64.3-38.7175.5-171.1-98.8000111.8T112 V113 F114 W119 K120T112-F116 VanDerWaalsContact O-CB 3.31Å; T112-F116 WeakPolarHBondContact O-CB 3.34Å; T112-F116 PolarHBondContact O-N 3Å; V113-F116 PolarHBondContact O-N 3.27Å; F114-F116 PolarHBondContact O-N 2.89Å; F116-W119 PolarHBondContact O-N 3.38Å; F116-K120 HydrophobicContact CD1-CG 4.19Å; F116-K120 HydrophobicContact CE1-CG 3.88Å; F116-K120 HydrophobicContact CZ-CG 4.24Å; F116-K120 WeakPolarHBondContact O-CB 3.43Å; F116-K120 WeakPolarHBondContact O-CG 3.19Å; F116-K120 PolarHBondContact O-N 3.41Å
117S85Confident83.6Confident64 Ų64102.8 Ų102.845%0.44851%0.508SS..Hα-helixtrans-64.9-45.9175.5-58.20000111.3V113 F114 F115 W119 K120 F121V113-S117 WeakPolarHBondContact O-CB 3.27Å; V113-S117 PolarHBondContact O-N 3.41Å; V113-S117 PolarHBondContact O-OG 2.9Å; F114-S117 WeakPolarHBondContact O-CB 3.41Å; F114-S117 PolarHBondContact O-N 3.42Å; F115-S117 VanDerWaalsContact C-N 3.31Å; F115-S117 PolarHBondContact O-N 2.94Å; S117-W119 PolarHBondContact O-N 3.47Å; S117-K120 PolarHBondContact O-N 2.93Å; S117-F121 WeakPolarHBondContact O-CB 3.49Å; S117-F121 PolarHBondContact O-N 3.08Å
118L83.6Confident82.6Confident83 Ų8399.9 Ų99.944%0.43550%0.497SS..Hα-helixtrans-62.4-40.8174.2-70.1-178.3000112.3F114 F115 F121 S122F114-L118 HydrophobicContact CD1-CD1 3.91Å; F114-L118 HydrophobicContact CD1-CG 4.47Å; F114-L118 HydrophobicContact CE1-CD1 3.37Å; F114-L118 HydrophobicContact CE1-CG 4.17Å; F114-L118 HydrophobicContact CZ-CD1 3.74Å; F114-L118 HydrophobicContact CZ-CD2 4.46Å; F114-L118 HydrophobicContact CZ-CG 4.23Å; F114-L118 WeakPolarHBondContact O-CG 3.48Å; F114-L118 PolarHBondContact O-N 2.83Å; F115-L118 PolarHBondContact O-N 3.17Å; L118-F121 PolarHBondContact O-N 2.77Å; L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.75Å
119W79.7Confident81.9Confident167 Ų167101.2 Ų101.263%0.63351%0.505SS*.Hα-helixtrans-61.6-48176.2-175.9-60.9000110.9F115 F116 S117 F121 S122 Q123F115-W119 WeakPolarHBondContact O-CB 3.37Å; F115-W119 PolarHBondContact O-N 3.12Å; F116-W119 PolarHBondContact O-N 3.38Å; S117-W119 PolarHBondContact O-N 3.47Å; W119-F121 VanDerWaalsContact C-N 3.27Å; W119-F121 PolarHBondContact O-N 2.78Å; W119-S122 WeakPolarHBondContact O-CB 3.35Å; W119-S122 PolarHBondContact O-N 2.81Å; W119-S122 VanDerWaalsContact O-N 3.15Å; W119-Q123 PolarHBondContact O-N 2.97Å
120K79.7Confident81.3Confident109 Ų109101.9 Ų101.947%0.47451%0.51SS..Hα-helixtrans-61-39.2177.1-78-70.3-175.5-1790111.7F116 S117 Q123 Q124F116-K120 HydrophobicContact CD1-CG 4.19Å; F116-K120 HydrophobicContact CE1-CG 3.88Å; F116-K120 HydrophobicContact CZ-CG 4.24Å; F116-K120 WeakPolarHBondContact O-CB 3.43Å; F116-K120 WeakPolarHBondContact O-CG 3.19Å; F116-K120 PolarHBondContact O-N 3.41Å; S117-K120 PolarHBondContact O-N 2.93Å; K120-Q123 PolarHBondContact O-N 3.07Å; K120-Q124 PolarHBondContact O-N 3.48Å
121F71.1Confident80.7Confident92 Ų9299.4 Ų99.440%0.40450%0.503SS..Hα-helixtrans-65.8-38.7174.8-153.6-113.3000112.1S117 L118 W119 Q123 Q124 L128 I131S117-F121 WeakPolarHBondContact O-CB 3.49Å; S117-F121 PolarHBondContact O-N 3.08Å; L118-F121 PolarHBondContact O-N 2.77Å; W119-F121 VanDerWaalsContact C-N 3.27Å; W119-F121 PolarHBondContact O-N 2.78Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 3.47Å; F121-Q124 CarbonylContact O-C 3.48Å; F121-Q124 PolarHBondContact O-N 3Å; F121-L128 HydrophobicContact CD1-CD1 3.53Å; F121-L128 HydrophobicContact CD1-CG 3.93Å; F121-L128 HydrophobicContact CE1-CB 4.5Å; F121-L128 HydrophobicContact CE1-CD1 3.34Å; F121-L128 HydrophobicContact CE1-CD2 3.81Å; F121-L128 HydrophobicContact CE1-CG 3.23Å; F121-L128 HydrophobicContact CZ-CD1 4.26Å; F121-L128 HydrophobicContact CZ-CD2 4.28Å; F121-L128 HydrophobicContact CZ-CG 3.7Å; F121-I131 HydrophobicContact CE2-CD1 4.38Å; F121-I131 HydrophobicContact CZ-CD1 4.17Å
122S74Confident80.2Confident94 Ų94102.4 Ų102.466%0.65752%0.517SS*.Hα-helixtrans-68.5-28.6174.6-173.10000113.2L118 W119 Q124L118-S122 WeakPolarHBondContact O-CB 3.34Å; L118-S122 PolarHBondContact O-N 2.75Å; W119-S122 WeakPolarHBondContact O-CB 3.35Å; W119-S122 PolarHBondContact O-N 2.81Å; W119-S122 VanDerWaalsContact O-N 3.15Å; S122-Q124 VanDerWaalsContact C-N 3.3Å
123Q73.2Confident80.1Confident118 Ų118102.4 Ų102.455%0.55152%0.517SS*.Hα-helixtrans-75.7-17.5174.7-86.3-172.9-17.700113.4W119 K120 F121 P125W119-Q123 PolarHBondContact O-N 2.97Å; K120-Q123 PolarHBondContact O-N 3.07Å; F121-Q123 VanDerWaalsContact C-N 3.33Å; F121-Q123 PolarHBondContact O-N 3.47Å; Q123-P125 VanDerWaalsContact O-CD 3.23Å; Q123-P125 WeakPolarHBondContact O-CD 3.04Å
124Q72.2Confident79.9Confident118 Ų118101.7 Ų101.755%0.55152%0.515SS*.  trans-116.566.6176.7-65.4-166.7-16.300111.2K120 F121 S122 E126 M127K120-Q124 PolarHBondContact O-N 3.48Å; F121-Q124 CarbonylContact O-C 3.48Å; F121-Q124 PolarHBondContact O-N 3Å; S122-Q124 VanDerWaalsContact C-N 3.3Å; Q124-E126 PolarHBondContact O-N 2.63Å; Q124-E126 VanDerWaalsContact O-N 3.08Å; Q124-M127 HydrophobicContact CB-CB 4.44Å; Q124-M127 HydrophobicContact CB-CG 4.07Å; Q124-M127 PolarHBondContact O-N 3.33Å
125P72.3Confident79.8Confident78 Ų78105.4 Ų105.451%0.50653%0.526SS..Hα-helixtrans-59-24.4177.727.1-35000112.1Q123 M127 L128 V129Q123-P125 VanDerWaalsContact O-CD 3.23Å; Q123-P125 WeakPolarHBondContact O-CD 3.04Å; P125-M127 VanDerWaalsContact C-N 3.34Å; P125-M127 PolarHBondContact O-N 2.56Å; P125-L128 WeakPolarHBondContact O-CB 3.1Å; P125-L128 PolarHBondContact O-N 3.23Å; P125-V129 WeakPolarHBondContact O-CG2 3.28Å; P125-V129 PolarHBondContact O-N 3.29Å
126E78.2Confident80Confident154 Ų154103.7 Ų103.772%0.7252%0.522SS*.Hα-helixtrans-59.7-40.9175.9-59.6-173.7172.100112.5Q124 L128 V129 L130Q124-E126 PolarHBondContact O-N 2.63Å; Q124-E126 VanDerWaalsContact O-N 3.08Å; E126-L128 PolarHBondContact O-N 3.39Å; E126-V129 PolarHBondContact O-N 2.96Å; E126-L130 WeakPolarHBondContact O-CB 3.32Å; E126-L130 VanDerWaalsContact O-CG 3.29Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.02Å
127M73.8Confident80.3Confident92 Ų92106 Ų10645%0.45353%0.527SS..Hα-helixtrans-68.8-36.9179.7-64.8-60-74.600111.5Q124 P125 L130 I131Q124-M127 HydrophobicContact CB-CB 4.44Å; Q124-M127 HydrophobicContact CB-CG 4.07Å; Q124-M127 PolarHBondContact O-N 3.33Å; P125-M127 VanDerWaalsContact C-N 3.34Å; P125-M127 PolarHBondContact O-N 2.56Å; M127-L130 PolarHBondContact O-N 3.44Å; M127-L130 HydrophobicContact SD-CD1 4.27Å; M127-I131 WeakPolarHBondContact O-CD1 3.19Å; M127-I131 VanDerWaalsContact O-CG1 3.23Å; M127-I131 WeakPolarHBondContact O-CG1 3.38Å; M127-I131 PolarHBondContact O-N 3.46Å
128L72.9Confident80.5Confident68 Ų68108.4 Ų108.436%0.35654%0.535SS..Hα-helixtrans-63.3-45.4174.7-116.1161.8000111.9F121 P125 E126 I131 L132F121-L128 HydrophobicContact CD1-CD1 3.53Å; F121-L128 HydrophobicContact CD1-CG 3.93Å; F121-L128 HydrophobicContact CE1-CB 4.5Å; F121-L128 HydrophobicContact CE1-CD1 3.34Å; F121-L128 HydrophobicContact CE1-CD2 3.81Å; F121-L128 HydrophobicContact CE1-CG 3.23Å; F121-L128 HydrophobicContact CZ-CD1 4.26Å; F121-L128 HydrophobicContact CZ-CD2 4.28Å; F121-L128 HydrophobicContact CZ-CG 3.7Å; P125-L128 WeakPolarHBondContact O-CB 3.1Å; P125-L128 PolarHBondContact O-N 3.23Å; E126-L128 PolarHBondContact O-N 3.39Å; L128-I131 PolarHBondContact O-N 3.42Å; L128-L132 HydrophobicContact CD2-CD1 4.48Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 3.48Å
129V80.3Confident80.4Confident86 Ų86111 Ų11152%0.52154%0.544SS..Hα-helixtrans-63.4-43.7176.8174.40000110.3P125 E126 I131 L132 V133P125-V129 WeakPolarHBondContact O-CG2 3.28Å; P125-V129 PolarHBondContact O-N 3.29Å; E126-V129 PolarHBondContact O-N 2.96Å; V129-I131 PolarHBondContact O-N 3.36Å; V129-L132 PolarHBondContact O-N 3.01Å; V129-V133 HydrophobicContact CG1-CG2 4.14Å; V129-V133 WeakPolarHBondContact O-CB 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.35Å; V129-V133 PolarHBondContact O-N 2.93Å
130L81.3Confident80.6Confident108 Ų108113.3 Ų113.357%0.56555%0.553SS**Hα-helixtrans-61.4-42.4176.7-73172.3000112.3E126 M127 V133 C134E126-L130 WeakPolarHBondContact O-CB 3.32Å; E126-L130 VanDerWaalsContact O-CG 3.29Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.02Å; M127-L130 PolarHBondContact O-N 3.44Å; M127-L130 HydrophobicContact SD-CD1 4.27Å; L130-V133 PolarHBondContact O-N 2.84Å; L130-C134 WeakPolarHBondContact O-CB 3.38Å; L130-C134 PolarHBondContact O-N 3.02Å
131I81.7Confident80.7Confident90 Ų90114.4 Ų114.446%0.46256%0.563SS.*Hα-helixtrans-63.1-45.2176-68.4163.5000110.7F121 M127 L128 V129 C134 W135F121-I131 HydrophobicContact CE2-CD1 4.38Å; F121-I131 HydrophobicContact CZ-CD1 4.17Å; M127-I131 WeakPolarHBondContact O-CD1 3.19Å; M127-I131 VanDerWaalsContact O-CG1 3.23Å; M127-I131 WeakPolarHBondContact O-CG1 3.38Å; M127-I131 PolarHBondContact O-N 3.46Å; L128-I131 PolarHBondContact O-N 3.42Å; V129-I131 PolarHBondContact O-N 3.36Å; I131-C134 PolarHBondContact O-N 3.48Å; I131-W135 WeakPolarHBondContact O-CB 3.4Å; I131-W135 PolarHBondContact O-N 3.22Å
132L82.2Confident81Confident98 Ų98122.9 Ų122.951%0.51359%0.594SS.*Hα-helixtrans-64.7-43.2177.9-73.6171.8000112.3L128 V129 C134 W135 I136L128-L132 HydrophobicContact CD2-CD1 4.48Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 3.48Å; V129-L132 PolarHBondContact O-N 3.01Å; L132-C134 VanDerWaalsContact C-N 3.33Å; L132-C134 PolarHBondContact O-N 3.11Å; L132-W135 PolarHBondContact O-N 3.3Å; L132-I136 WeakPolarHBondContact O-CB 3.29Å; L132-I136 WeakPolarHBondContact O-CD1 3.41Å; L132-I136 WeakPolarHBondContact O-CG1 3.21Å; L132-I136 PolarHBondContact O-N 2.87Å
133V87.5Confident81.3Confident73 Ų73124.3 Ų124.344%0.44259%0.591SS.*Hα-helixtrans-61.8-44.3175.6170.90000110.2V129 L130 I136 W137V129-V133 HydrophobicContact CG1-CG2 4.14Å; V129-V133 WeakPolarHBondContact O-CB 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.35Å; V129-V133 PolarHBondContact O-N 2.93Å; L130-V133 PolarHBondContact O-N 2.84Å; V133-I136 PolarHBondContact O-N 2.93Å; V133-W137 WeakPolarHBondContact O-CB 3.25Å; V133-W137 PolarHBondContact O-N 3.5Å
134C87.7Confident81.8Confident74 Ų74124.6 Ų124.650%0.559%0.593SS.*Hα-helixtrans-63.9-41.7177.7-158.40000111.5L130 I131 L132 W137 L138L130-C134 WeakPolarHBondContact O-CB 3.38Å; L130-C134 PolarHBondContact O-N 3.02Å; I131-C134 PolarHBondContact O-N 3.48Å; L132-C134 VanDerWaalsContact C-N 3.33Å; L132-C134 PolarHBondContact O-N 3.11Å; C134-W137 PolarHBondContact O-N 3.08Å; C134-L138 WeakPolarHBondContact O-CB 3.21Å; C134-L138 PolarHBondContact O-N 2.92Å
135W87.9Confident82.3Confident181 Ų181125 Ų12569%0.68660%0.595SS**Hα-helixtrans-62.3-46175.1-175.2-85.2000112.4I131 L132 W137 L138 H139I131-W135 WeakPolarHBondContact O-CB 3.4Å; I131-W135 PolarHBondContact O-N 3.22Å; L132-W135 PolarHBondContact O-N 3.3Å; W135-W137 VanDerWaalsContact C-N 3.32Å; W135-W137 PolarHBondContact O-N 2.86Å; W135-L138 PolarHBondContact O-N 3.49Å; W135-H139 WeakPolarHBondContact O-CB 3.27Å; W135-H139 PolarHBondContact O-N 3.07Å
136I90.7Very high82.9Confident102 Ų102127.8 Ų127.852%0.52360%0.601SS.*Hα-helixtrans-62.8-41.3176.6-67.9164000110.5L132 V133 H139 R140L132-I136 WeakPolarHBondContact O-CB 3.29Å; L132-I136 WeakPolarHBondContact O-CD1 3.41Å; L132-I136 WeakPolarHBondContact O-CG1 3.21Å; L132-I136 PolarHBondContact O-N 2.87Å; V133-I136 PolarHBondContact O-N 2.93Å; I136-H139 PolarHBondContact O-N 2.87Å; I136-R140 WeakPolarHBondContact O-CG 3.31Å; I136-R140 PolarHBondContact O-N 3.4Å
137W91.3Very high83.2Confident177 Ų177126.1 Ų126.167%0.6759%0.593SS**Hα-helixtrans-63.2-44.9176-108.586.1000112.3V133 C134 W135 R140 L141V133-W137 WeakPolarHBondContact O-CB 3.25Å; V133-W137 PolarHBondContact O-N 3.5Å; C134-W137 PolarHBondContact O-N 3.08Å; W135-W137 VanDerWaalsContact C-N 3.32Å; W135-W137 PolarHBondContact O-N 2.86Å; W137-R140 PolarHBondContact O-N 3.04Å; W137-R140 VanDerWaalsContact O-N 3.14Å; W137-L141 HydrophobicContact CE3-CD1 3.94Å; W137-L141 HydrophobicContact CE3-CG 4.44Å; W137-L141 HydrophobicContact CZ3-CD1 4.37Å; W137-L141 PolarHBondContact O-N 2.76Å
138L88.9Confident83.8Confident115 Ų115128.4 Ų128.460%0.60260%0.602SS**Hα-helixtrans-61.3-43.4175.6-104.7141.4000112C134 W135 R140 L141 Y142C134-L138 WeakPolarHBondContact O-CB 3.21Å; C134-L138 PolarHBondContact O-N 2.92Å; W135-L138 PolarHBondContact O-N 3.49Å; L138-R140 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 3.01Å; L138-L141 VanDerWaalsContact O-N 3.13Å; L138-Y142 PolarHBondContact O-N 3.13Å
139H81.9Confident84.6Confident138 Ų138132.7 Ų132.764%0.63962%0.62SS**Hα-helixtrans-69.3-18.4177-162.8-61.5000112.9W135 I136W135-H139 WeakPolarHBondContact O-CB 3.27Å; W135-H139 PolarHBondContact O-N 3.07Å; I136-H139 PolarHBondContact O-N 2.87Å
140R84.8Confident84.9Confident215 Ų215136.3 Ų136.381%0.81163%0.628SS**Hα-helixtrans-85.6-17.7172.6-77.7-74-169162.31.6113.2I136 W137 L138I136-R140 WeakPolarHBondContact O-CG 3.31Å; I136-R140 PolarHBondContact O-N 3.4Å; W137-R140 PolarHBondContact O-N 3.04Å; W137-R140 VanDerWaalsContact O-N 3.14Å; L138-R140 PolarHBondContact O-N 2.92Å
141L81.2Confident85.2Confident131 Ų131138.7 Ų138.769%0.68663%0.633SS**Hα-helixtrans-92-17.2179.4-79.7164000113.4W137 L138W137-L141 HydrophobicContact CE3-CD1 3.94Å; W137-L141 HydrophobicContact CE3-CG 4.44Å; W137-L141 HydrophobicContact CZ3-CD1 4.37Å; W137-L141 PolarHBondContact O-N 2.76Å; L138-L141 PolarHBondContact O-N 3.01Å; L138-L141 VanDerWaalsContact O-N 3.13Å
142Y77.2Confident85.6Confident270 Ų270143.1 Ų143.1100%1.05965%0.648SS**  trans-101.40175.2-149.9-87.1000110.7L138L138-Y142 PolarHBondContact O-N 3.13Å

Retrieved 142 of 142 residues in 144.2 ms (Link to these results)