A0A077ZE47_TRITR Loading...

Deoxynucleotidyltransferase terminal interacting

AlphaFold DB , UniProt , Accession A0A077ZE47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 407 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
1M31.9Very low22.9Very low247 Ų247153.1 Ų153.1100%1.21779%0.791SS**  01210-115.4169.3166.600107.8
2V22Very low22.6Very low125 Ų125151.3 Ų151.376%0.75878%0.784SS**  trans-60.5144.4162.5172.30000108.7Y4V2-Y4 HydrophobicContact CG1-CD2 4.34Å; V2-Y4 HydrophobicContact CG1-CE2 3.98Å
3A21.5Very low23.1Very low78 Ų78151 Ų15165%0.64578%0.782SS**  trans168.8112.7137.700000109.5
4Y21.9Very low23Very low216 Ų216147.5 Ų147.585%0.84778%0.777SS**  72.314097.5-68.2-65.9000111.2V2V2-Y4 HydrophobicContact CG1-CD2 4.34Å; V2-Y4 HydrophobicContact CG1-CE2 3.98Å
5S21.4Very low23.2Very low90 Ų90142.7 Ų142.763%0.62977%0.767SS**  cis179.9140.512.7153.90000104.6
6L21.8Very low23.5Very low161 Ų161144.3 Ų144.384%0.84377%0.767SS**  trans12.4138.9137.9-66.2154.9000117.8
7S20.8Very low24.1Very low98 Ų98148.8 Ų148.869%0.68577%0.773SS**  140.4146.7115.6-161.90000112.6
8C22.8Very low24.4Very low106 Ų106148.7 Ų148.772%0.71677%0.774SS**  trans78.1140.5157.9-62.70000118
9F21.7Very low24.5Very low163 Ų163150.5 Ų150.572%0.71578%0.776SS**  cis-174153.7-15.6-133.2-100.6000104.1
10E19.3Very low24.4Very low153 Ų153151.6 Ų151.672%0.71577%0.774SS**  trans-2.6135.1159.3-59.7174.3150.100120
11W27.1Very low24.4Very low247 Ų247150.7 Ų150.794%0.93678%0.776SS**  trans-130.9125.5131.4-93.675.3000110.5I13W11-I13 HydrophobicContact CE3-CD1 4.36Å; W11-I13 HydrophobicContact CZ3-CD1 4.23Å
12N19.6Very low24.1Very low131 Ų131144.7 Ų144.770%0.70175%0.748SS**  trans-94.2150.2173.8-175.8-5.8000108.2
13I28.8Very low24.2Very low148 Ų148148.3 Ų148.376%0.75975%0.754SS**  trans-171.598.6139.6-87.9146.9000107.9W11W11-I13 HydrophobicContact CE3-CD1 4.36Å; W11-I13 HydrophobicContact CZ3-CD1 4.23Å
14S21.9Very low24.5Very low102 Ų102148.1 Ų148.171%0.71376%0.759SS**  8.1144.5128.8-139.40000117.8
15A25.8Very low24.8Very low76 Ų76145.6 Ų145.663%0.62875%0.753SS**  cis-161.215418.300000110.3
16H28.4Very low25.1Very low167 Ų167147 Ų14777%0.77376%0.758SS**SBendtrans82.2103.7166.6-80-86000119.3
17Y33.6Very low25.3Very low221 Ų221146.1 Ų146.187%0.86775%0.753SS**  trans86.787.1168.9-64.4-75.4000117.8
18D28.6Very low25.5Very low147 Ų147146.8 Ų146.879%0.78675%0.748SS**  trans-38.9144.7162.1-80.7-49.3000118.7
19F26.6Very low25.6Very low183 Ų183153 Ų15380%0.80376%0.756SS**  trans80.489.6147.8-90.8-93.9000121.3
20F23.2Very low25.7Very low172 Ų172154.4 Ų154.475%0.75476%0.758SS**  -27.9131.2129-71.6-100.8000115.8L22F20-L22 HydrophobicContact CD1-CD1 4.34Å
21V24.1Very low26Very low133 Ų133152.7 Ų152.781%0.80676%0.763SS**  -151.2116.2113.1169.90000108.3K23V21-K23 PolarHBondContact O-N 3.16Å
22L24.9Very low26Very low122 Ų122150 Ų15064%0.63976%0.761SS**  trans-75.9104.5171.8-84.4144.1000110.7F20 F25F20-L22 HydrophobicContact CD1-CD1 4.34Å; L22-F25 HydrophobicContact CD2-CD2 3.99Å; L22-F25 HydrophobicContact CD2-CE2 3.5Å
23K23.7Very low26.4Very low200 Ų200147.2 Ų147.287%0.8776%0.762SS**  trans-141.5108.6154.1-92.3-171.3177.4174.30110.4V21V21-K23 PolarHBondContact O-N 3.16Å
24G28.5Very low26.2Very low74 Ų74144.2 Ų144.276%0.76376%0.76SS**  trans81.361.1155.900000116.4T26G24-T26 PolarHBondContact O-N 3.28Å; G24-T26 VanDerWaalsContact O-N 3.15Å
25F28.3Very low26.4Very low163 Ų163147 Ų14772%0.71576%0.763SS**  trans-47.9114.4170.6-95.3-103.7000112.6L22 I27L22-F25 HydrophobicContact CD2-CD2 3.99Å; L22-F25 HydrophobicContact CD2-CE2 3.5Å; F25-I27 HydrophobicContact CD1-CG1 4.26Å
26T27.6Very low26.3Very low119 Ų119151.3 Ų151.373%0.7377%0.771SS**  trans-91.3104.9153.9-600000106.7G24 I28G24-T26 PolarHBondContact O-N 3.28Å; G24-T26 VanDerWaalsContact O-N 3.15Å; T26-I28 HydrophobicContact CG2-CD1 4.46Å; T26-I28 HydrophobicContact CG2-CG1 3.85Å; T26-I28 PolarHBondContact O-N 3.33Å; T26-I28 VanDerWaalsContact O-N 3.11Å
27I25.4Very low26.1Very low143 Ų143148.7 Ų148.773%0.73377%0.77SS**  trans-77.795173.1-61174.8000107.4F25 R29F25-I27 HydrophobicContact CD1-CG1 4.26Å; I27-R29 PolarHBondContact O-N 3.47Å
28I26.8Very low25.6Very low113 Ų113143.5 Ų143.558%0.57976%0.761SS**  trans-83.9103.4165.1-55.8-178.9000106.6T26 Y30T26-I28 HydrophobicContact CG2-CD1 4.46Å; T26-I28 HydrophobicContact CG2-CG1 3.85Å; T26-I28 PolarHBondContact O-N 3.33Å; T26-I28 VanDerWaalsContact O-N 3.11Å; I28-Y30 HydrophobicContact CB-CD2 4.43Å; I28-Y30 HydrophobicContact CB-CE2 4.34Å; I28-Y30 HydrophobicContact CG2-CD2 3.77Å; I28-Y30 HydrophobicContact CG2-CE2 3.63Å; I28-Y30 PolarHBondContact O-N 2.91Å
29R23.2Very low25.5Very low236 Ų236141.3 Ų141.389%0.89176%0.763SS**  trans-65.4101.3163.8-99.2-164.8173157.5-1108.3I27 S31I27-R29 PolarHBondContact O-N 3.47Å; R29-S31 PolarHBondContact O-N 3.42Å
30Y24.8Very low25.5Very low193 Ų193140.4 Ų140.476%0.75776%0.762SS**  trans-78.4103.6156-82.7-87.1000107.4I28 Q32I28-Y30 HydrophobicContact CB-CD2 4.43Å; I28-Y30 HydrophobicContact CB-CE2 4.34Å; I28-Y30 HydrophobicContact CG2-CD2 3.77Å; I28-Y30 HydrophobicContact CG2-CE2 3.63Å; I28-Y30 PolarHBondContact O-N 2.91Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.28Å; Y30-Q32 VanDerWaalsContact O-N 3.1Å
31S26.2Very low25.5Very low117 Ų117139.9 Ų139.982%0.81877%0.767SS**  trans-73.695.1159.560.80000107.3R29 G33R29-S31 PolarHBondContact O-N 3.42Å; S31-G33 PolarHBondContact O-N 3.08Å
32Q26.3Very low25.9Very low191 Ų191140 Ų14089%0.89377%0.767SS**  trans-6286.7161.4-87.9170-45.200108.4Y30Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.28Å; Y30-Q32 VanDerWaalsContact O-N 3.1Å
33G27.2Very low26Very low71 Ų71142.7 Ų142.773%0.73278%0.777SS**  trans-94.29015900000108S31 M35S31-G33 PolarHBondContact O-N 3.08Å; G33-M35 PolarHBondContact O-N 3.32Å
34A25.4Very low26.1Very low86 Ų86142.7 Ų142.771%0.71178%0.78SS**  trans10.2103.5161.700000117.6
35M25.4Very low26.1Very low159 Ų159144.4 Ų144.478%0.78378%0.78SS**  trans-125.387136.4-82.6-142-86.200107.1G33G33-M35 PolarHBondContact O-N 3.32Å
36E25Very low26Very low168 Ų168141.8 Ų141.879%0.78578%0.782SS**  trans-72.6131.2168.8-172.6169.4-152.200108.6
37C23.5Very low26.1Very low111 Ų111143.7 Ų143.775%0.7579%0.788SS**  trans61.3129.6160.8-56.30000116.4
38V23.9Very low26.2Very low113 Ų113142.2 Ų142.269%0.68579%0.79SS**  -154.9123.655.1170.20000107.8E40V38-E40 HydrophobicContact CG1-CB 4.4Å; V38-E40 HydrophobicContact CG1-CG 3.83Å; V38-E40 PolarHBondContact O-N 3.13Å
39A25.6Very low26.4Very low101 Ų101144.6 Ų144.684%0.83580%0.804SS**  trans-8389.2165.600000107.7N41A39-N41 PolarHBondContact O-N 2.7Å
40E26.9Very low26.4Very low164 Ų164139.4 Ų139.477%0.76680%0.802SS**  trans-80.9114.1165.3-96.6171.2-16700108.5V38 V42V38-E40 HydrophobicContact CG1-CB 4.4Å; V38-E40 HydrophobicContact CG1-CG 3.83Å; V38-E40 PolarHBondContact O-N 3.13Å; E40-V42 PolarHBondContact O-N 3.02Å
41N23.2Very low26.8Very low161 Ų161135.4 Ų135.486%0.86180%0.803SS**  trans-55.4118.1163.6-68.1-59.8000108.7A39A39-N41 PolarHBondContact O-N 2.7Å
42V33.2Very low27.5Very low135 Ų135135 Ų13582%0.81880%0.797SS**  trans-126.5128.4159.2179.30000107.9E40E40-V42 PolarHBondContact O-N 3.02Å
43E27.1Very low28Very low179 Ų179133.2 Ų133.284%0.83679%0.789SS**  trans-63153.2-160.3-67.4167.7145.100114.9S45E43-S45 PolarHBondContact O-N 3.3Å; E43-S45 VanDerWaalsContact O-N 3.16Å
44Q25Very low28.9Very low200 Ų200134.8 Ų134.894%0.93579%0.789SS**  trans-51.4110.8161.7-66.2164.6-1.600109.7
45S28.4Very low29.7Very low109 Ų109133.7 Ų133.776%0.76278%0.776SS**  trans-121.9114.3152.251.60000108.2E43 N47E43-S45 PolarHBondContact O-N 3.3Å; E43-S45 VanDerWaalsContact O-N 3.16Å; S45-N47 PolarHBondContact O-N 3.48Å
46S26.6Very low30.7Very low108 Ų108133.3 Ų133.376%0.75577%0.769SS**  trans-46.4120.6165.248.90000110.7
47N30.2Very low31.7Very low160 Ų160131.3 Ų131.386%0.85676%0.76SS**  trans-147.6106142.3-94.7-24.1000108.5S45 D49S45-N47 PolarHBondContact O-N 3.48Å; N47-D49 PolarHBondContact O-N 3.28Å
48S26.8Very low33.4Very low112 Ų112130 Ų13078%0.78375%0.75SS**  trans-50.8114.1156.347.20000109.5
49D30.2Very low35.1Very low162 Ų162131.2 Ų131.287%0.86675%0.746SS**  trans-149.6112.4144.7-108.1-26000110.1N47 S51N47-D49 PolarHBondContact O-N 3.28Å; D49-S51 PolarHBondContact O-N 2.71Å
50C24.2Very low36.8Very low127 Ų127129.3 Ų129.386%0.85872%0.722SS**  trans-72.7115.3173.6-170.80000107.8
51S31.8Very low38.9Very low110 Ų110127.9 Ų127.977%0.76971%0.714SS**  trans-148.8139.8160.7-89.60000111.8D49D49-S51 PolarHBondContact O-N 2.71Å
52P41.3Very low41.1Very low108 Ų108128.8 Ų128.870%0.70171%0.705SS**  trans-92.9137.6-144.834.3-32.7000113.3S54P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 3.43Å
53E37.4Very low43.1Very low154 Ų154126.7 Ų126.772%0.7269%0.687SS**  trans24.639.1142.6-91.8-154.1152.500120.3S55 K56E53-S55 PolarHBondContact O-N 3.29Å; E53-K56 WeakPolarHBondContact OE1-CE 3.3Å; E53-K56 IonicContact OE1-NZ 2.83Å; E53-K56 PolarHBondContact OE1-NZ 2.88Å; E53-K56 IonicContact OE2-NZ 3.73Å; E53-K56 PolarHBondContact OE2-NZ 3.33Å
54S45.1Very low45.3Very low104 Ų104122 Ų12273%0.72767%0.667SS**  trans-97.748.4-178.763.60000113.7P52 N60P52-S54 VanDerWaalsContact C-N 3.26Å; P52-S54 PolarHBondContact O-N 3.43Å; S54-N60 PolarHBondContact O-ND2 2.84Å
55S42Very low47.6Very low62 Ų62117 Ų11743%0.43465%0.646SS.*  trans-152.939.2171.4650000116.4E53 H57E53-S55 PolarHBondContact O-N 3.29Å; S55-H57 VanDerWaalsContact C-N 3.27Å
56K48.3Very low49.6Very low151 Ų151115.8 Ų115.866%0.65763%0.634SS**  trans-81.2-5.6165.6-69.6172.2-176.1159.20113.2E53E53-K56 WeakPolarHBondContact OE1-CE 3.3Å; E53-K56 IonicContact OE1-NZ 2.83Å; E53-K56 PolarHBondContact OE1-NZ 2.88Å; E53-K56 IonicContact OE2-NZ 3.73Å; E53-K56 PolarHBondContact OE2-NZ 3.33Å
57H45.9Very low51.9Low126 Ų126117.4 Ų117.458%0.58363%0.627SS**SBendtrans-71.2129.6178.8-153.9-97.2000111S55 F59 N60 K61S55-H57 VanDerWaalsContact C-N 3.27Å; H57-F59 WeakPolarHBondContact ND1-CB 3.27Å; H57-F59 PolarHBondContact O-N 2.84Å; H57-N60 PolarHBondContact O-N 3.28Å; H57-K61 PolarHBondContact O-N 3.48Å
58P58.4Low53.8Low85 Ų85118.4 Ų118.455%0.55262%0.619SS**Hα-helixtrans-58.9-25.3-177.522-32.9000113.2K61 R62P58-K61 PolarHBondContact O-N 3.25Å; P58-R62 PolarHBondContact O-N 3.14Å
59F59Low55.6Low137 Ų137120 Ų12060%0.60161%0.609SS**Hα-helixtrans-64.6-38.3173.9-134.9-85.9000112.3H57 R62 M63H57-F59 WeakPolarHBondContact ND1-CB 3.27Å; H57-F59 PolarHBondContact O-N 2.84Å; F59-R62 PolarHBondContact O-N 3.37Å; F59-M63 WeakPolarHBondContact O-CB 3.48Å; F59-M63 PolarHBondContact O-N 3.48Å
60N61.5Low57.3Low62 Ų62117.1 Ų117.133%0.33259%0.593SS.*Hα-helixtrans-68.5-37.3175-92.7-9.8000111.7S54 H57 M63 I64S54-N60 PolarHBondContact O-ND2 2.84Å; H57-N60 PolarHBondContact O-N 3.28Å; N60-M63 WeakPolarHBondContact O-CB 3.5Å; N60-M63 PolarHBondContact O-N 3.47Å; N60-I64 WeakPolarHBondContact O-CB 3.49Å; N60-I64 VanDerWaalsContact O-CG1 3.23Å; N60-I64 WeakPolarHBondContact O-CG1 3.44Å; N60-I64 PolarHBondContact O-N 3.06Å
61K71.5Confident59.5Low133 Ų133114.8 Ų114.858%0.57858%0.583SS**Hα-helixtrans-62.8-44.1173.5-70.6-171.9178.2-177.30112H57 P58 M63 I64 I65H57-K61 PolarHBondContact O-N 3.48Å; P58-K61 PolarHBondContact O-N 3.25Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.85Å; K61-I64 PolarHBondContact O-N 3.01Å; K61-I65 VanDerWaalsContact O-CG1 3.25Å; K61-I65 WeakPolarHBondContact O-CG1 3.35Å; K61-I65 PolarHBondContact O-N 3.46Å
62R70.3Confident61.1Low181 Ų181114 Ų11468%0.68357%0.57SS**Hα-helixtrans-59.9-44.3174.3-73.4-176.4-179.2-170.51.2111.4P58 F59 I64 I65 V66P58-R62 PolarHBondContact O-N 3.14Å; F59-R62 PolarHBondContact O-N 3.37Å; R62-I64 PolarHBondContact O-N 3.11Å; R62-I65 PolarHBondContact O-N 2.88Å; R62-V66 WeakPolarHBondContact O-CG2 3.34Å; R62-V66 PolarHBondContact O-N 3.33Å
63M73.9Confident62Low90 Ų90120.4 Ų120.444%0.44358%0.58SS.*Hα-helixtrans-61.1-43.5177.2-163.393.674.500112.1F59 N60 K61 V66 K67F59-M63 WeakPolarHBondContact O-CB 3.48Å; F59-M63 PolarHBondContact O-N 3.48Å; N60-M63 WeakPolarHBondContact O-CB 3.5Å; N60-M63 PolarHBondContact O-N 3.47Å; K61-M63 VanDerWaalsContact C-N 3.33Å; K61-M63 PolarHBondContact O-N 2.85Å; M63-V66 PolarHBondContact O-N 3.04Å; M63-K67 WeakPolarHBondContact O-CB 3.38Å; M63-K67 WeakPolarHBondContact O-CG 3.39Å; M63-K67 PolarHBondContact O-N 3.48Å
64I73.3Confident63Low82 Ų82120.9 Ų120.942%0.42158%0.579SS.*Hα-helixtrans-63.6-43.1177.1-69.7164000110.7N60 K61 R62 K67 R68N60-I64 WeakPolarHBondContact O-CB 3.49Å; N60-I64 VanDerWaalsContact O-CG1 3.23Å; N60-I64 WeakPolarHBondContact O-CG1 3.44Å; N60-I64 PolarHBondContact O-N 3.06Å; K61-I64 PolarHBondContact O-N 3.01Å; R62-I64 PolarHBondContact O-N 3.11Å; I64-K67 PolarHBondContact O-N 3.35Å; I64-R68 VanDerWaalsContact O-CB 3.24Å; I64-R68 WeakPolarHBondContact O-CB 3.23Å; I64-R68 PolarHBondContact O-N 3.41Å
65I74.2Confident63.3Low93 Ų93120.4 Ų120.448%0.47756%0.564SS.*Hα-helixtrans-59.3-54.7174.5-68.9166.3000108.9K61 R62 K67 R68 Y69K61-I65 VanDerWaalsContact O-CG1 3.25Å; K61-I65 WeakPolarHBondContact O-CG1 3.35Å; K61-I65 PolarHBondContact O-N 3.46Å; R62-I65 PolarHBondContact O-N 2.88Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.92Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-R68 VanDerWaalsContact O-N 3.14Å; I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.61Å; I65-Y69 WeakPolarHBondContact O-CB 3.21Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å
66V70.8Confident64.2Low84 Ų84121.1 Ų121.151%0.50956%0.563SS.*Hα-helixtrans-56.6-46.9179.8173.10000111.6R62 M63 R68 Y69 L70R62-V66 WeakPolarHBondContact O-CG2 3.34Å; R62-V66 PolarHBondContact O-N 3.33Å; M63-V66 PolarHBondContact O-N 3.04Å; V66-R68 PolarHBondContact O-N 3.12Å; V66-Y69 PolarHBondContact O-N 3.1Å; V66-L70 HydrophobicContact CG1-CD1 3.81Å; V66-L70 HydrophobicContact CG1-CG 4.23Å; V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.97Å
67K73.3Confident64.8Low143 Ų143118 Ų11862%0.62256%0.558SS**Hα-helixtrans-60.1-45.2176.9-77.3-175.1177-173.80112.2M63 I64 I65 Y69 L70 A71M63-K67 WeakPolarHBondContact O-CB 3.38Å; M63-K67 WeakPolarHBondContact O-CG 3.39Å; M63-K67 PolarHBondContact O-N 3.48Å; I64-K67 PolarHBondContact O-N 3.35Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.92Å; K67-Y69 VanDerWaalsContact C-N 3.32Å; K67-Y69 PolarHBondContact O-N 3.37Å; K67-L70 PolarHBondContact O-N 2.94Å; K67-A71 VanDerWaalsContact O-CB 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.4Å; K67-A71 PolarHBondContact O-N 3.07Å
68R70.5Confident65.7Low180 Ų180119.8 Ų119.868%0.67957%0.565SS**Hα-helixtrans-65.1-36.7178.3-163.6-178.4-79.5-165.4-5.1111.4I64 I65 V66 L72I64-R68 VanDerWaalsContact O-CB 3.24Å; I64-R68 WeakPolarHBondContact O-CB 3.23Å; I64-R68 PolarHBondContact O-N 3.41Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-R68 VanDerWaalsContact O-N 3.14Å; V66-R68 PolarHBondContact O-N 3.12Å; R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.34Å
69Y64Low65.8Low145 Ų145120.1 Ų120.157%0.56956%0.559SS**Hα-helixtrans-72.7-38.2176.7-89.6-95.6000113.2I65 V66 K67I65-Y69 HydrophobicContact CG2-CD2 3.57Å; I65-Y69 HydrophobicContact CG2-CE2 3.61Å; I65-Y69 WeakPolarHBondContact O-CB 3.21Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å; V66-Y69 PolarHBondContact O-N 3.1Å; K67-Y69 VanDerWaalsContact C-N 3.32Å; K67-Y69 PolarHBondContact O-N 3.37Å
70L66.9Low65.8Low102 Ų102119.6 Ų119.653%0.53456%0.556SS.*Hα-helixtrans-66.7-41.6173.2-72172.6000111.4V66 K67 L72 R73 F75V66-L70 HydrophobicContact CG1-CD1 3.81Å; V66-L70 HydrophobicContact CG1-CG 4.23Å; V66-L70 WeakPolarHBondContact O-CB 3.24Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.42Å; V66-L70 PolarHBondContact O-N 2.97Å; K67-L70 PolarHBondContact O-N 2.94Å; L70-L72 PolarHBondContact O-N 3.29Å; L70-R73 PolarHBondContact O-N 3.03Å; L70-R73 VanDerWaalsContact O-N 3.08Å; L70-F75 HydrophobicContact CD2-CD1 4.37Å
71A69.8Low65.8Low79 Ų79118.5 Ų118.565%0.65356%0.56SS**Hα-helixtrans-60.4-32.4178.500000112.7K67 R73K67-A71 VanDerWaalsContact O-CB 3.27Å; K67-A71 WeakPolarHBondContact O-CB 3.4Å; K67-A71 PolarHBondContact O-N 3.07Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-R73 VanDerWaalsContact O-N 3.13Å
72L66.6Low65.5Low94 Ų94119.8 Ų119.849%0.49256%0.561SS.*THydrogen-bonded Turntrans-70.6-2.2177.8-73.5171000113.9R68 L70 K74R68-L72 WeakPolarHBondContact O-CG 3.4Å; R68-L72 PolarHBondContact O-N 3.34Å; L70-L72 PolarHBondContact O-N 3.29Å; L72-K74 WeakPolarHBondContact O-CG 3.47Å; L72-K74 PolarHBondContact O-N 2.71Å
73R59.5Low65.2Low241 Ų241113.9 Ų113.991%0.90955%0.551SS**SBendtrans49.25.7179.3-68.1-169.2177.1-166.70.7116.3L70 A71L70-R73 PolarHBondContact O-N 3.03Å; L70-R73 VanDerWaalsContact O-N 3.08Å; A71-R73 PolarHBondContact O-N 2.95Å; A71-R73 VanDerWaalsContact O-N 3.13Å
74K57.9Low64.9Low164 Ų164111.6 Ų111.671%0.71354%0.542SS*.  trans-93.84.7178.9-71.2174.2-175.8-175.20112.3L72 N76L72-K74 WeakPolarHBondContact O-CG 3.47Å; L72-K74 PolarHBondContact O-N 2.71Å; K74-N76 PolarHBondContact O-N 2.84Å; K74-N76 VanDerWaalsContact O-N 3.1Å
75F52.8Low64.6Low94 Ų94115.4 Ų115.441%0.41256%0.555SS.*  trans-78.696179.8-172.7-105.2000110.5L70 P77 F80L70-F75 HydrophobicContact CD2-CD1 4.37Å; F75-P77 HydrophobicContact CD1-CG 4.13Å; F75-P77 HydrophobicContact CE1-CB 4.2Å; F75-P77 HydrophobicContact CE1-CG 3.76Å; F75-P77 WeakPolarHBondContact O-CD 3.25Å; F75-F80 HydrophobicContact CE2-CB 3.97Å; F75-F80 HydrophobicContact CE2-CD2 4.28Å; F75-F80 HydrophobicContact CE2-CG 4.09Å; F75-F80 HydrophobicContact CZ-CB 4.41Å
76N60.6Low64.4Low77 Ų77116.6 Ų116.641%0.41256%0.559SS.*  trans-94.2111.8162.4-174.9-14.8000108.5K74 K78 E79 F80K74-N76 PolarHBondContact O-N 2.84Å; K74-N76 VanDerWaalsContact O-N 3.1Å; N76-K78 PolarHBondContact O-N 2.92Å; N76-K78 VanDerWaalsContact O-N 3.12Å; N76-K78 WeakPolarHBondContact OD1-CB 3.34Å; N76-K78 PolarHBondContact OD1-N 3.22Å; N76-E79 HydrophobicContact CB-CB 4.05Å; N76-E79 HydrophobicContact CB-CG 3.93Å; N76-E79 PolarHBondContact O-N 2.83Å; N76-F80 PolarHBondContact O-N 2.73Å
77P60.9Low64.3Low85 Ų85121.9 Ų121.955%0.55257%0.57SS**Hα-helixtrans-54.7-32.1178.6-22.529.7000113.2F75 F80 G81F75-P77 HydrophobicContact CD1-CG 4.13Å; F75-P77 HydrophobicContact CE1-CB 4.2Å; F75-P77 HydrophobicContact CE1-CG 3.76Å; F75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-F80 PolarHBondContact O-N 3.01Å; P77-G81 PolarHBondContact O-N 3.43Å
78K64.6Low64.1Low164 Ų164122.7 Ų122.771%0.71357%0.57SS**Hα-helixtrans-68-38.8177.9-60.9-177.6178.6178.60111.8N76 G81 R82N76-K78 PolarHBondContact O-N 2.92Å; N76-K78 VanDerWaalsContact O-N 3.12Å; N76-K78 WeakPolarHBondContact OD1-CB 3.34Å; N76-K78 PolarHBondContact OD1-N 3.22Å; K78-G81 PolarHBondContact O-N 3.49Å; K78-R82 WeakPolarHBondContact O-CG 3.41Å; K78-R82 PolarHBondContact O-N 3.42Å; K78-R82 VanDerWaalsContact O-N 3.11Å
79E60.2Low64.4Low93 Ų93119.3 Ų119.344%0.43557%0.565SS.*Hα-helixtrans-71.4-38.5176.2-69.4-59.7129.500111.5N76 G81 R82 A83N76-E79 HydrophobicContact CB-CB 4.05Å; N76-E79 HydrophobicContact CB-CG 3.93Å; N76-E79 PolarHBondContact O-N 2.83Å; E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.27Å; E79-R82 PolarHBondContact O-N 2.92Å; E79-R82 IonicContact OE1-CZ 3.86Å; E79-R82 IonicContact OE1-NH1 2.97Å; E79-R82 PolarHBondContact OE1-NH1 3.41Å; E79-A83 WeakPolarHBondContact O-CB 3.39Å; E79-A83 PolarHBondContact O-N 2.86Å
80F59.6Low65Low125 Ų125116.6 Ų116.655%0.54856%0.56SS.*Hα-helixtrans-61.2-41.7173.4-174.8-97.3000111.9F75 N76 P77 T84F75-F80 HydrophobicContact CE2-CB 3.97Å; F75-F80 HydrophobicContact CE2-CD2 4.28Å; F75-F80 HydrophobicContact CE2-CG 4.09Å; F75-F80 HydrophobicContact CZ-CB 4.41Å; N76-F80 PolarHBondContact O-N 2.73Å; P77-F80 PolarHBondContact O-N 3.01Å; F80-T84 WeakPolarHBondContact O-CB 3.4Å; F80-T84 PolarHBondContact O-N 2.99Å; F80-T84 PolarHBondContact O-OG1 3.1Å
81G61.7Low65.8Low39 Ų39118 Ų11840%0.40256%0.564SS.*Hα-helixtrans-61.1-41.9174.100000113P77 K78 E79 K85P77-G81 PolarHBondContact O-N 3.43Å; K78-G81 PolarHBondContact O-N 3.49Å; E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.27Å; G81-K85 WeakPolarHBondContact O-CB 3.45Å; G81-K85 PolarHBondContact O-N 3.45Å
82R63.9Low66.3Low161 Ų161117 Ų11761%0.60856%0.556SS**Hα-helixtrans-64.9-52.6175.3-73.5173.4175.6-175.6-7.9112.3K78 E79 T84 K85 E86K78-R82 WeakPolarHBondContact O-CG 3.41Å; K78-R82 PolarHBondContact O-N 3.42Å; K78-R82 VanDerWaalsContact O-N 3.11Å; E79-R82 PolarHBondContact O-N 2.92Å; E79-R82 IonicContact OE1-CZ 3.86Å; E79-R82 IonicContact OE1-NH1 2.97Å; E79-R82 PolarHBondContact OE1-NH1 3.41Å; R82-T84 VanDerWaalsContact C-N 3.25Å; R82-T84 PolarHBondContact O-N 3.3Å; R82-K85 PolarHBondContact O-N 2.94Å; R82-K85 VanDerWaalsContact O-N 3.15Å; R82-E86 WeakPolarHBondContact O-CB 3.07Å; R82-E86 PolarHBondContact O-N 3.47Å
83A64.9Low67Low56 Ų56116.1 Ų116.146%0.46355%0.554SS.*Hα-helixtrans-59.7-37.4179.100000112E79 R87E79-A83 WeakPolarHBondContact O-CB 3.39Å; E79-A83 PolarHBondContact O-N 2.86Å; A83-R87 VanDerWaalsContact O-CB 3.32Å; A83-R87 WeakPolarHBondContact O-CB 3.19Å; A83-R87 PolarHBondContact O-N 3.15Å
84T66.8Low68.1Low42 Ų42107.6 Ų107.626%0.25854%0.535SS..Hα-helixtrans-66.3-48.2175.4-60.50000111.1F80 R82 E86 R87 Y88F80-T84 WeakPolarHBondContact O-CB 3.4Å; F80-T84 PolarHBondContact O-N 2.99Å; F80-T84 PolarHBondContact O-OG1 3.1Å; R82-T84 VanDerWaalsContact C-N 3.25Å; R82-T84 PolarHBondContact O-N 3.3Å; T84-E86 VanDerWaalsContact C-N 3.35Å; T84-E86 PolarHBondContact O-N 2.95Å; T84-R87 PolarHBondContact O-N 3.14Å; T84-Y88 HydrophobicContact CG2-CD2 3.66Å; T84-Y88 HydrophobicContact CG2-CE2 3.3Å; T84-Y88 WeakPolarHBondContact O-CD2 3.34Å; T84-Y88 PolarHBondContact O-N 2.91Å
85K66.7Low69.4Low162 Ų162102.5 Ų102.570%0.70452%0.524SS*.Hα-helixtrans-60.4-42.5176.6-172.9177.1-178178.60112.2G81 R82 Y88 L89G81-K85 WeakPolarHBondContact O-CB 3.45Å; G81-K85 PolarHBondContact O-N 3.45Å; R82-K85 PolarHBondContact O-N 2.94Å; R82-K85 VanDerWaalsContact O-N 3.15Å; K85-Y88 PolarHBondContact O-N 2.92Å; K85-L89 WeakPolarHBondContact O-CB 3.32Å; K85-L89 PolarHBondContact O-N 3.29Å
86E70.2Confident71Confident118 Ų118105.8 Ų105.855%0.55154%0.538SS*.Hα-helixtrans-63.5-43.3176.4-170.6-178.917300111.5R82 T84 Y88 L89 N90R82-E86 WeakPolarHBondContact O-CB 3.07Å; R82-E86 PolarHBondContact O-N 3.47Å; T84-E86 VanDerWaalsContact C-N 3.35Å; T84-E86 PolarHBondContact O-N 2.95Å; E86-Y88 PolarHBondContact O-N 3.28Å; E86-L89 PolarHBondContact O-N 3.33Å; E86-N90 WeakPolarHBondContact O-CB 3.41Å; E86-N90 PolarHBondContact O-N 2.89Å; E86-N90 PolarHBondContact O-ND2 2.85Å
87R68.1Low72.2Confident196 Ų196105 Ų10574%0.7454%0.543SS*.Hα-helixtrans-62.2-42.9176-163.2179.8-171-178.14112.3A83 T84 N90 Q91A83-R87 VanDerWaalsContact O-CB 3.32Å; A83-R87 WeakPolarHBondContact O-CB 3.19Å; A83-R87 PolarHBondContact O-N 3.15Å; T84-R87 PolarHBondContact O-N 3.14Å; R87-N90 PolarHBondContact O-N 2.9Å; R87-Q91 WeakPolarHBondContact O-CB 3.39Å; R87-Q91 PolarHBondContact O-N 2.93Å
88Y70.9Confident73.5Confident159 Ų159102.8 Ų102.862%0.62454%0.535SS*.Hα-helixtrans-64.2-43.2175-78.5-65.1000112.1T84 K85 E86 Q91 A92T84-Y88 HydrophobicContact CG2-CD2 3.66Å; T84-Y88 HydrophobicContact CG2-CE2 3.3Å; T84-Y88 WeakPolarHBondContact O-CD2 3.34Å; T84-Y88 PolarHBondContact O-N 2.91Å; K85-Y88 PolarHBondContact O-N 2.92Å; E86-Y88 PolarHBondContact O-N 3.28Å; Y88-Q91 PolarHBondContact O-N 3.47Å; Y88-A92 WeakPolarHBondContact O-CB 3.43Å; Y88-A92 PolarHBondContact O-N 2.97Å
89L75.2Confident74.8Confident110 Ų110100.8 Ų100.858%0.57653%0.532SS*.Hα-helixtrans-62-45176.8-174.663.2000111.1K85 E86 Q91 A92 T93K85-L89 WeakPolarHBondContact O-CB 3.32Å; K85-L89 PolarHBondContact O-N 3.29Å; E86-L89 PolarHBondContact O-N 3.33Å; L89-Q91 VanDerWaalsContact C-N 3.31Å; L89-Q91 PolarHBondContact O-N 3.41Å; L89-A92 PolarHBondContact O-N 3.02Å; L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.93Å; L89-T93 PolarHBondContact O-OG1 3.47Å
90N78.4Confident76.2Confident87 Ų8799.9 Ų99.947%0.46553%0.53SS..Hα-helixtrans-63.5-35.6176.9-70.8-18.2000112.5E86 R87 T93 A94E86-N90 WeakPolarHBondContact O-CB 3.41Å; E86-N90 PolarHBondContact O-N 2.89Å; E86-N90 PolarHBondContact O-ND2 2.85Å; R87-N90 PolarHBondContact O-N 2.9Å; N90-T93 WeakPolarHBondContact CA-OG1 3.46Å; N90-T93 PolarHBondContact O-OG1 2.98Å; N90-A94 VanDerWaalsContact O-CB 3.22Å; N90-A94 WeakPolarHBondContact O-CB 3.49Å; N90-A94 PolarHBondContact O-N 2.78Å
91Q81.8Confident77.6Confident132 Ų13296.3 Ų96.362%0.61752%0.523SS*.Hα-helixtrans-70.1-40.4174.8-171.5171.57.900111.9R87 Y88 L89 A94 A95R87-Q91 WeakPolarHBondContact O-CB 3.39Å; R87-Q91 PolarHBondContact O-N 2.93Å; Y88-Q91 PolarHBondContact O-N 3.47Å; L89-Q91 VanDerWaalsContact C-N 3.31Å; L89-Q91 PolarHBondContact O-N 3.41Å; Q91-A94 PolarHBondContact O-N 3.08Å; Q91-A95 WeakPolarHBondContact O-CB 3.43Å; Q91-A95 PolarHBondContact O-N 3.33Å
92A80.3Confident79Confident58 Ų5898.7 Ų98.748%0.47953%0.526SS..Hα-helixtrans-66.1-41.3176.400000112Y88 L89 A95 K96Y88-A92 WeakPolarHBondContact O-CB 3.43Å; Y88-A92 PolarHBondContact O-N 2.97Å; L89-A92 PolarHBondContact O-N 3.02Å; A92-A95 PolarHBondContact O-N 2.89Å; A92-K96 WeakPolarHBondContact O-CB 3.34Å; A92-K96 PolarHBondContact O-N 3.16Å
93T83.1Confident80.5Confident75 Ų7596.3 Ų96.346%0.4652%0.517SS..Hα-helixtrans-67-41.5175.355.40000111.6L89 N90 A95 K96 A97L89-T93 WeakPolarHBondContact O-CG2 3.48Å; L89-T93 PolarHBondContact O-N 2.93Å; L89-T93 PolarHBondContact O-OG1 3.47Å; N90-T93 WeakPolarHBondContact CA-OG1 3.46Å; N90-T93 PolarHBondContact O-OG1 2.98Å; T93-A95 VanDerWaalsContact C-N 3.35Å; T93-A95 PolarHBondContact O-N 3.38Å; T93-K96 PolarHBondContact O-N 3.07Å; T93-A97 WeakPolarHBondContact O-CB 3.32Å; T93-A97 PolarHBondContact O-N 3.39Å
94A80.7Confident81.9Confident62 Ų62100 Ų10051%0.51252%0.522SS..Hα-helixtrans-60.9-42.5173.800000111.9N90 Q91 A97 G98N90-A94 VanDerWaalsContact O-CB 3.22Å; N90-A94 WeakPolarHBondContact O-CB 3.49Å; N90-A94 PolarHBondContact O-N 2.78Å; Q91-A94 PolarHBondContact O-N 3.08Å; A94-A97 PolarHBondContact O-N 3.07Å; A94-G98 PolarHBondContact O-N 3.07Å
95A86.3Confident83Confident58 Ų58103.4 Ų103.448%0.47954%0.538SS..Hα-helixtrans-62.7-45.5174.900000111.8Q91 A92 T93 A97 G98 L99Q91-A95 WeakPolarHBondContact O-CB 3.43Å; Q91-A95 PolarHBondContact O-N 3.33Å; A92-A95 PolarHBondContact O-N 2.89Å; T93-A95 VanDerWaalsContact C-N 3.35Å; T93-A95 PolarHBondContact O-N 3.38Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.13Å; A95-G98 PolarHBondContact O-N 3.13Å; A95-L99 WeakPolarHBondContact O-CG 3.22Å; A95-L99 PolarHBondContact O-N 3.35Å
96K86.7Confident84.2Confident162 Ų162102.4 Ų102.470%0.70453%0.531SS*.Hα-helixtrans-61.3-40.2175.6-175.4174.1180176.20112.2A92 T93 L99 N100A92-K96 WeakPolarHBondContact O-CB 3.34Å; A92-K96 PolarHBondContact O-N 3.16Å; T93-K96 PolarHBondContact O-N 3.07Å; K96-L99 PolarHBondContact O-N 2.89Å; K96-N100 WeakPolarHBondContact O-CB 3.44Å; K96-N100 PolarHBondContact O-N 2.74Å
97A84.6Confident85.5Confident62 Ų6299.5 Ų99.551%0.51252%0.517SS..Hα-helixtrans-64.4-43.4175.500000111.5T93 A94 A95 N100 A101T93-A97 WeakPolarHBondContact O-CB 3.32Å; T93-A97 PolarHBondContact O-N 3.39Å; A94-A97 PolarHBondContact O-N 3.07Å; A95-A97 VanDerWaalsContact C-N 3.33Å; A95-A97 PolarHBondContact O-N 3.13Å; A97-N100 PolarHBondContact O-N 2.82Å; A97-A101 PolarHBondContact O-N 2.92Å
98G89.4Confident86.7Confident37 Ų3794.3 Ų94.338%0.38151%0.509SS..Hα-helixtrans-59.9-46.2174.400000112.8A94 A95 N100 A101 L102A94-G98 PolarHBondContact O-N 3.07Å; A95-G98 PolarHBondContact O-N 3.13Å; G98-N100 PolarHBondContact O-N 3.18Å; G98-A101 WeakPolarHBondContact O-CB 3.37Å; G98-A101 PolarHBondContact O-N 3.39Å; G98-L102 PolarHBondContact O-N 3.22Å
99L90.9Very high87.8Confident123 Ų12389.3 Ų89.364%0.64450%0.501SS*.Hα-helixtrans-63.5-40.3176.1-69.4175.2000112.4A95 K96 A101 L102 R103A95-L99 WeakPolarHBondContact O-CG 3.22Å; A95-L99 PolarHBondContact O-N 3.35Å; K96-L99 PolarHBondContact O-N 2.89Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 3Å; L99-L102 HydrophobicContact CD2-CD1 4.49Å; L99-L102 PolarHBondContact O-N 2.81Å; L99-R103 PolarHBondContact O-N 2.93Å
100N90Very high88.7Confident74 Ų7487.5 Ų87.540%0.39649%0.491SS..Hα-helixtrans-67.4-33.5175.9-170.429.8000112.1K96 A97 G98 R103 K104K96-N100 WeakPolarHBondContact O-CB 3.44Å; K96-N100 PolarHBondContact O-N 2.74Å; A97-N100 PolarHBondContact O-N 2.82Å; G98-N100 PolarHBondContact O-N 3.18Å; N100-R103 PolarHBondContact O-N 3.4Å; N100-R103 PolarHBondContact OD1-NE 3.16Å; N100-R103 PolarHBondContact OD1-NH2 3.23Å; N100-K104 WeakPolarHBondContact O-CG 3.49Å; N100-K104 PolarHBondContact O-N 3.42Å
101A88.7Confident89.6Confident49 Ų4987 Ų8741%0.40549%0.488SS..Hα-helixtrans-64.5-43.8172.800000111.4A97 G98 L99 K104 I105A97-A101 PolarHBondContact O-N 2.92Å; G98-A101 WeakPolarHBondContact O-CB 3.37Å; G98-A101 PolarHBondContact O-N 3.39Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-A101 PolarHBondContact O-N 3Å; A101-K104 WeakPolarHBondContact O-CB 3.34Å; A101-K104 PolarHBondContact O-N 2.91Å; A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.1Å
102L91.2Very high90.2Very high89 Ų8985 Ų8547%0.46648%0.479SS..Hα-helixtrans-60.3-46.3173.7-70.2173.2000111.9G98 L99 K104 I105 Y106G98-L102 PolarHBondContact O-N 3.22Å; L99-L102 HydrophobicContact CD2-CD1 4.49Å; L99-L102 PolarHBondContact O-N 2.81Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.46Å; L102-I105 WeakPolarHBondContact O-CB 3.49Å; L102-I105 PolarHBondContact O-N 2.97Å; L102-Y106 HydrophobicContact CD2-CE2 4.45Å; L102-Y106 VanDerWaalsContact O-CD2 3.24Å; L102-Y106 WeakPolarHBondContact O-CD2 3.26Å; L102-Y106 PolarHBondContact O-N 3.43Å
103R96.2Very high91Very high112 Ų11288.4 Ų88.442%0.42349%0.485SS..Hα-helixtrans-54.3-44.6174.2-176.9-151.961.585-3.4111.3L99 N100 I105 Y106 Q107L99-R103 PolarHBondContact O-N 2.93Å; N100-R103 PolarHBondContact O-N 3.4Å; N100-R103 PolarHBondContact OD1-NE 3.16Å; N100-R103 PolarHBondContact OD1-NH2 3.23Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 2.96Å; R103-Y106 PolarHBondContact O-N 2.95Å; R103-Q107 WeakPolarHBondContact O-CB 3.37Å; R103-Q107 PolarHBondContact O-N 3.43Å
104K93Very high91.6Very high132 Ų13288.2 Ų88.257%0.57448%0.48SS*.Hα-helixtrans-61.1-38.4177.7-74178.9179.3-173.20112.7N100 A101 L102N100-K104 WeakPolarHBondContact O-CG 3.49Å; N100-K104 PolarHBondContact O-N 3.42Å; A101-K104 WeakPolarHBondContact O-CB 3.34Å; A101-K104 PolarHBondContact O-N 2.91Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 3.46Å
105I91Very high92.3Very high115 Ų11592.4 Ų92.459%0.5948%0.483SS*.Hα-helixtrans-66.1-42.5178.4-68.3161.6000110.9A101 L102 R103 P108A101-I105 WeakPolarHBondContact O-CG1 3.37Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.1Å; L102-I105 WeakPolarHBondContact O-CB 3.49Å; L102-I105 PolarHBondContact O-N 2.97Å; R103-I105 VanDerWaalsContact C-N 3.31Å; R103-I105 PolarHBondContact O-N 2.96Å; I105-P108 WeakPolarHBondContact O-CD 3.43Å
106Y92.1Very high92.8Very high140 Ų14095 Ų9555%0.54949%0.485SS..Hα-helixtrans-87.8-17.9-176.5-69-69000114.7L102 R103 P108 A109 I110L102-Y106 HydrophobicContact CD2-CE2 4.45Å; L102-Y106 VanDerWaalsContact O-CD2 3.24Å; L102-Y106 WeakPolarHBondContact O-CD2 3.26Å; L102-Y106 PolarHBondContact O-N 3.43Å; R103-Y106 PolarHBondContact O-N 2.95Å; Y106-P108 VanDerWaalsContact C-CD 3.41Å; Y106-P108 VanDerWaalsContact C-N 3.34Å; Y106-A109 PolarHBondContact O-N 2.89Å; Y106-A109 VanDerWaalsContact O-N 3.12Å; Y106-I110 WeakPolarHBondContact O-CG1 3.37Å; Y106-I110 PolarHBondContact O-N 2.71Å
107Q97.5Very high93.2Very high57 Ų5791 Ų9127%0.26647%0.474SS..Hα-helixtrans-51.5-41.9-177.9-167.57162.800114.2R103 I110 N111R103-Q107 WeakPolarHBondContact O-CB 3.37Å; R103-Q107 PolarHBondContact O-N 3.43Å; Q107-I110 PolarHBondContact O-N 3.27Å; Q107-N111 PolarHBondContact NE2-OD1 2.72Å; Q107-N111 WeakPolarHBondContact O-CB 3.38Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 PolarHBondContact O-OD1 3.07Å
108P93.2Very high93.7Very high87 Ų8789.4 Ų89.457%0.56546%0.458SS*.Hα-helixtrans-63.1-42178.9-22.534.9000113I105 Y106 N111 E112I105-P108 WeakPolarHBondContact O-CD 3.43Å; Y106-P108 VanDerWaalsContact C-CD 3.41Å; Y106-P108 VanDerWaalsContact C-N 3.34Å; P108-N111 PolarHBondContact O-N 2.94Å; P108-E112 PolarHBondContact O-N 3.49Å
109A92.5Very high93.9Very high54 Ų5492.1 Ų92.145%0.44646%0.461SS..Hα-helixtrans-66.5-45.6177.400000111.1Y106 N111 E112 E113Y106-A109 PolarHBondContact O-N 2.89Å; Y106-A109 VanDerWaalsContact O-N 3.12Å; A109-N111 VanDerWaalsContact C-N 3.3Å; A109-N111 PolarHBondContact O-N 3.24Å; A109-E112 PolarHBondContact O-N 3.02Å; A109-E112 VanDerWaalsContact O-N 3.14Å; A109-E113 PolarHBondContact O-N 2.62Å; A109-E113 VanDerWaalsContact O-N 3.11Å
110I95.2Very high94.1Very high73 Ų7393.8 Ų93.837%0.37446%0.458SS..Hα-helixtrans-58.2-43.4175.6-66.7167.8000110.9Y106 Q107 E112 E113 I114Y106-I110 WeakPolarHBondContact O-CG1 3.37Å; Y106-I110 PolarHBondContact O-N 2.71Å; Q107-I110 PolarHBondContact O-N 3.27Å; I110-E112 VanDerWaalsContact C-N 3.28Å; I110-E112 PolarHBondContact O-N 3.44Å; I110-E113 PolarHBondContact O-N 2.85Å; I110-I114 HydrophobicContact CG2-CD1 3.65Å; I110-I114 HydrophobicContact CG2-CG1 4.3Å; I110-I114 WeakPolarHBondContact O-CB 3.38Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.48Å; I110-I114 PolarHBondContact O-N 3.36Å
111N96.5Very high94.3Very high76 Ų7696.2 Ų96.241%0.40646%0.463SS..Hα-helixtrans-63.2-35.2179.2-75.2-1.2000112.5Q107 P108 A109 R115Q107-N111 PolarHBondContact NE2-OD1 2.72Å; Q107-N111 WeakPolarHBondContact O-CB 3.38Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 PolarHBondContact O-OD1 3.07Å; P108-N111 PolarHBondContact O-N 2.94Å; A109-N111 VanDerWaalsContact C-N 3.3Å; A109-N111 PolarHBondContact O-N 3.24Å; N111-R115 WeakPolarHBondContact O-CB 3.46Å; N111-R115 PolarHBondContact O-N 2.86Å
112E95.7Very high94.6Very high91 Ų9194 Ų9443%0.42544%0.444SS..Hα-helixtrans-70.7-43.2178.5-165.757.5-160.600111.4P108 A109 I110 I114 R115 E116P108-E112 PolarHBondContact O-N 3.49Å; A109-E112 PolarHBondContact O-N 3.02Å; A109-E112 VanDerWaalsContact O-N 3.14Å; I110-E112 VanDerWaalsContact C-N 3.28Å; I110-E112 PolarHBondContact O-N 3.44Å; E112-I114 PolarHBondContact O-N 3.15Å; E112-R115 WeakPolarHBondContact O-CB 3.46Å; E112-R115 PolarHBondContact O-N 3.35Å; E112-R115 VanDerWaalsContact O-N 3.17Å; E112-R115 IonicContact OE2-NE 3.11Å; E112-R115 PolarHBondContact OE2-NE 3.48Å; E112-R115 VanDerWaalsContact OE2-NE 3.11Å; E112-E116 PolarHBondContact O-N 3.13Å
113E96.6Very high94.7Very high129 Ų12994.1 Ų94.160%0.60345%0.445SS*.Hα-helixtrans-61.9-42.4173.7-68.6179.8-138.800112A109 I110 R115 E116 V117A109-E113 PolarHBondContact O-N 2.62Å; A109-E113 VanDerWaalsContact O-N 3.11Å; I110-E113 PolarHBondContact O-N 2.85Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 2.91Å; E113-E116 PolarHBondContact O-N 3.11Å; E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 3.24Å; E113-V117 VanDerWaalsContact O-N 3.07Å
114I96.2Very high94.6Very high70 Ų7094.3 Ų94.336%0.35945%0.451SS..Hα-helixtrans-59.9-44.3174.5-70.6169.2000110.4I110 E112 V117 V118 L154I110-I114 HydrophobicContact CG2-CD1 3.65Å; I110-I114 HydrophobicContact CG2-CG1 4.3Å; I110-I114 WeakPolarHBondContact O-CB 3.38Å; I110-I114 VanDerWaalsContact O-CG1 3.24Å; I110-I114 WeakPolarHBondContact O-CG1 3.48Å; I110-I114 PolarHBondContact O-N 3.36Å; E112-I114 PolarHBondContact O-N 3.15Å; I114-V117 PolarHBondContact O-N 2.91Å; I114-V118 HydrophobicContact CG2-CG2 4.23Å; I114-V118 WeakPolarHBondContact O-CB 3.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.26Å; I114-V118 PolarHBondContact O-N 3.24Å; I114-L154 HydrophobicContact CG2-CD2 3.72Å
115R95.6Very high94.7Very high151 Ų15194 Ų9457%0.5745%0.447SS*.Hα-helixtrans-59.5-48.6178-175.4-164.2-53.9-75.2-4.2110.9N111 E112 E113 V117 V118 Q119N111-R115 WeakPolarHBondContact O-CB 3.46Å; N111-R115 PolarHBondContact O-N 2.86Å; E112-R115 WeakPolarHBondContact O-CB 3.46Å; E112-R115 PolarHBondContact O-N 3.35Å; E112-R115 VanDerWaalsContact O-N 3.17Å; E112-R115 IonicContact OE2-NE 3.11Å; E112-R115 PolarHBondContact OE2-NE 3.48Å; E112-R115 VanDerWaalsContact OE2-NE 3.11Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 2.91Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 2.83Å; R115-V118 PolarHBondContact O-N 2.92Å; R115-Q119 WeakPolarHBondContact O-CB 3.43Å; R115-Q119 PolarHBondContact O-N 3.44Å
116E95.2Very high94.8Very high112 Ų11292 Ų9252%0.52343%0.434SS..Hα-helixtrans-59.3-41.8179.4-72.8-175.2178.400112.4E112 E113 R120E112-E116 PolarHBondContact O-N 3.13Å; E113-E116 PolarHBondContact O-N 3.11Å; E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 3.18Å; E116-R120 VanDerWaalsContact O-N 3.1Å
117V95.3Very high94.8Very high77 Ų7786.3 Ų86.347%0.46742%0.416SS..Hα-helixtrans-66.6-51.3178.2173.30000110.9E113 I114 R115 Q119 R120 Y121E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 3.24Å; E113-V117 VanDerWaalsContact O-N 3.07Å; I114-V117 PolarHBondContact O-N 2.91Å; R115-V117 VanDerWaalsContact C-N 3.32Å; R115-V117 PolarHBondContact O-N 2.83Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.22Å; V117-R120 PolarHBondContact O-N 3.46Å; V117-Y121 HydrophobicContact CG1-CD2 4.38Å; V117-Y121 HydrophobicContact CG1-CE2 4.41Å; V117-Y121 WeakPolarHBondContact O-CD2 2.8Å; V117-Y121 PolarHBondContact O-N 2.94Å
118V94.9Very high94.5Very high29 Ų2986.8 Ų86.818%0.17642%0.424CS..Hα-helixtrans-62.2-43.6-179.1173.10000110.7I114 R115 R120 Y121 A122 C150 L154I114-V118 HydrophobicContact CG2-CG2 4.23Å; I114-V118 WeakPolarHBondContact O-CB 3.39Å; I114-V118 WeakPolarHBondContact O-CG2 3.26Å; I114-V118 PolarHBondContact O-N 3.24Å; R115-V118 PolarHBondContact O-N 2.92Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.37Å; V118-Y121 PolarHBondContact O-N 2.91Å; V118-A122 VanDerWaalsContact O-CB 3.29Å; V118-A122 WeakPolarHBondContact O-CB 3.45Å; V118-A122 PolarHBondContact O-N 2.84Å; V118-C150 HydrophobicContact CG1-CB 3.83Å; V118-L154 HydrophobicContact CG2-CD2 4.12Å
119Q95.1Very high94.5Very high95 Ų9585.2 Ų85.244%0.44442%0.419SS..Hα-helixtrans-61.5-41.5179.5-172.461.24200111.8R115 V117 Y121 A122 D123R115-Q119 WeakPolarHBondContact O-CB 3.43Å; R115-Q119 PolarHBondContact O-N 3.44Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.22Å; Q119-Y121 PolarHBondContact O-N 2.76Å; Q119-A122 WeakPolarHBondContact O-CB 3.34Å; Q119-A122 PolarHBondContact O-N 2.97Å; Q119-D123 PolarHBondContact NE2-OD1 2.72Å; Q119-D123 PolarHBondContact NE2-OD2 3.25Å; Q119-D123 PolarHBondContact O-N 3.35Å
120R93.6Very high94.5Very high157 Ų15783.1 Ų83.159%0.59240%0.4SS*.Hα-helixtrans-58-48177.8-171.3-173.1-53.8-172.22.9112.3E116 V117 V118 Q124E116-R120 WeakPolarHBondContact O-CB 3.38Å; E116-R120 PolarHBondContact O-N 3.18Å; E116-R120 VanDerWaalsContact O-N 3.1Å; V117-R120 PolarHBondContact O-N 3.46Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.37Å; R120-Q124 VanDerWaalsContact O-CB 3.29Å; R120-Q124 WeakPolarHBondContact O-CB 3.06Å; R120-Q124 PolarHBondContact O-N 2.88Å; R120-Q124 VanDerWaalsContact O-N 3.13Å
121Y95.4Very high94.3Very high126 Ų12687.3 Ų87.349%0.49441%0.412SS..Hα-helixtrans-72.7-32.2177.4-77.3-87000112.3V117 V118 Q119 Y125 F126V117-Y121 HydrophobicContact CG1-CD2 4.38Å; V117-Y121 HydrophobicContact CG1-CE2 4.41Å; V117-Y121 WeakPolarHBondContact O-CD2 2.8Å; V117-Y121 PolarHBondContact O-N 2.94Å; V118-Y121 PolarHBondContact O-N 2.91Å; Q119-Y121 PolarHBondContact O-N 2.76Å; Y121-Y125 AromaticContact CD1-CD2 3.64Å; Y121-Y125 HydrophobicContact CD1-CD2 3.64Å; Y121-Y125 AromaticContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CE1-CD2 4.4Å; Y121-Y125 AromaticContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CG-CD2 4.45Å; Y121-Y125 PolarHBondContact O-N 2.92Å; Y121-F126 PolarHBondContact O-N 2.88Å
122A94.8Very high94.1Very high1 Ų188 Ų881%0.00842%0.415CS..Iπ-helixtrans-58.3-51.4172.600000111.1V118 Q119 F126 A127 L146V118-A122 VanDerWaalsContact O-CB 3.29Å; V118-A122 WeakPolarHBondContact O-CB 3.45Å; V118-A122 PolarHBondContact O-N 2.84Å; Q119-A122 WeakPolarHBondContact O-CB 3.34Å; Q119-A122 PolarHBondContact O-N 2.97Å; A122-F126 PolarHBondContact O-N 3.24Å; A122-A127 VanDerWaalsContact O-CB 3.25Å; A122-A127 WeakPolarHBondContact O-CB 3.47Å; A122-A127 PolarHBondContact O-N 2.91Å; A122-L146 HydrophobicContact CB-CD1 4.28Å
123D93.4Very high93.9Very high93 Ų9386.7 Ų86.750%0.49741%0.413SS..Iπ-helixtrans-69.9-38-177.8-67.1-30.1000112.6Q119Q119-D123 PolarHBondContact NE2-OD1 2.72Å; Q119-D123 PolarHBondContact NE2-OD2 3.25Å; Q119-D123 PolarHBondContact O-N 3.35Å
124Q93.4Very high93.5Very high115 Ų11582 Ų8254%0.53740%0.395SS..Iπ-helixtrans-77.2-35.9-175-170.9173.45.700113.5R120R120-Q124 VanDerWaalsContact O-CB 3.29Å; R120-Q124 WeakPolarHBondContact O-CB 3.06Å; R120-Q124 PolarHBondContact O-N 2.88Å; R120-Q124 VanDerWaalsContact O-N 3.13Å
125Y94.6Very high93.1Very high126 Ų12685.4 Ų85.449%0.49441%0.409SS..Iπ-helixtrans-126-50.3-170.3-56.7-79.1000113.4Y121 A129Y121-Y125 AromaticContact CD1-CD2 3.64Å; Y121-Y125 HydrophobicContact CD1-CD2 3.64Å; Y121-Y125 AromaticContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CD1-CE2 3.59Å; Y121-Y125 HydrophobicContact CE1-CD2 4.4Å; Y121-Y125 AromaticContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CE1-CE2 3.92Å; Y121-Y125 HydrophobicContact CG-CD2 4.45Å; Y121-Y125 PolarHBondContact O-N 2.92Å; Y125-A129 PolarHBondContact O-N 3.25Å
126F94.3Very high92.8Very high72 Ų7284 Ų8432%0.31641%0.412SS..Iπ-helixtrans-77.3-39.8-171.3-59.6-61.3000113Y121 A122 A129 V130 L146 V149 V153Y121-F126 PolarHBondContact O-N 2.88Å; A122-F126 PolarHBondContact O-N 3.24Å; F126-A129 PolarHBondContact O-N 3.3Å; F126-V130 WeakPolarHBondContact O-CB 3.44Å; F126-V130 VanDerWaalsContact O-CG2 3.25Å; F126-V130 WeakPolarHBondContact O-CG2 3.48Å; F126-V130 PolarHBondContact O-N 3.08Å; F126-L146 HydrophobicContact CB-CD1 3.65Å; F126-V149 HydrophobicContact CD1-CG1 3.71Å; F126-V149 HydrophobicContact CD2-CG1 4.36Å; F126-V149 HydrophobicContact CE1-CG1 3.82Å; F126-V149 HydrophobicContact CE2-CG1 4.47Å; F126-V149 HydrophobicContact CG-CG1 4Å; F126-V149 HydrophobicContact CZ-CG1 4.22Å; F126-V153 HydrophobicContact CE2-CG2 4.39Å; F126-V153 HydrophobicContact CZ-CG2 4.3Å
127A92.4Very high92.5Very high22 Ų2282 Ų8218%0.18241%0.408CS..Hα-helixtrans-63.9-42.9-178.400000112.7A122 R131A122-A127 VanDerWaalsContact O-CB 3.25Å; A122-A127 WeakPolarHBondContact O-CB 3.47Å; A122-A127 PolarHBondContact O-N 2.91Å; A127-R131 VanDerWaalsContact O-CB 3.3Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 PolarHBondContact O-N 3.48Å
128P91.3Very high91.8Very high66 Ų6685.8 Ų85.843%0.42943%0.426SS..Hα-helixtrans-61.3-43.3170.4-24.234.3000113.1R131 N132P128-R131 PolarHBondContact O-N 3.39Å; P128-N132 PolarHBondContact O-N 2.98Å
129A92.7Very high91.1Very high54 Ų5488.6 Ų88.645%0.44646%0.46SS..Hα-helixtrans-65.5-44.7-18000000112.1Y125 F126 N132 V133Y125-A129 PolarHBondContact O-N 3.25Å; F126-A129 PolarHBondContact O-N 3.3Å; A129-N132 WeakPolarHBondContact O-CB 2.9Å; A129-N132 PolarHBondContact O-N 2.92Å; A129-V133 WeakPolarHBondContact O-CG2 3.39Å; A129-V133 PolarHBondContact O-N 3.49Å
130V93.4Very high90.4Very high11 Ų1186.6 Ų86.67%0.06746%0.455CS..Hα-helixtrans-63.9-41176.2167.50000111F126 N132 V133 C134 S142 L145 L146F126-V130 WeakPolarHBondContact O-CB 3.44Å; F126-V130 VanDerWaalsContact O-CG2 3.25Å; F126-V130 WeakPolarHBondContact O-CG2 3.48Å; F126-V130 PolarHBondContact O-N 3.08Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 PolarHBondContact O-N 3.41Å; V130-V133 PolarHBondContact O-N 3.33Å; V130-C134 PolarHBondContact O-N 3.48Å; V130-C134 PolarHBondContact O-SG 3.33Å; V130-C134 VanDerWaalsContact O-SG 3.33Å; V130-S142 VanDerWaalsContact CG1-O 3.31Å; V130-S142 WeakPolarHBondContact CG1-O 3.43Å; V130-L145 HydrophobicContact CG1-CB 4.2Å; V130-L145 HydrophobicContact CG1-CD2 4.18Å; V130-L145 HydrophobicContact CG1-CG 4.39Å; V130-L145 HydrophobicContact CG2-CD2 4.25Å; V130-L145 HydrophobicContact CG2-CG 4.18Å; V130-L146 HydrophobicContact CG2-CD1 4.38Å
131R91.1Very high89.8Confident161 Ų16181.9 Ų81.961%0.60845%0.445SS*.Hα-helixtrans-58.8-43.4174.5-172.9-173.9-56.2170.93.6111.3A127 P128 C134 Q135A127-R131 VanDerWaalsContact O-CB 3.3Å; A127-R131 WeakPolarHBondContact O-CB 3.46Å; A127-R131 PolarHBondContact O-N 3.48Å; P128-R131 PolarHBondContact O-N 3.39Å; R131-C134 PolarHBondContact O-N 3.01Å; R131-Q135 VanDerWaalsContact O-CG 3.3Å; R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 3.22Å
132N90.6Very high89.3Confident91 Ų9178.4 Ų78.449%0.48744%0.439SS..Hα-helixtrans-62.8-42.6175.7-170.716.2000111.5P128 A129 V130 Q135 N136P128-N132 PolarHBondContact O-N 2.98Å; A129-N132 WeakPolarHBondContact O-CB 2.9Å; A129-N132 PolarHBondContact O-N 2.92Å; V130-N132 VanDerWaalsContact C-N 3.29Å; V130-N132 PolarHBondContact O-N 3.41Å; N132-Q135 PolarHBondContact O-N 2.92Å; N132-N136 PolarHBondContact O-N 3.37Å; N132-N136 PolarHBondContact O-ND2 3.04Å; N132-N136 PolarHBondContact OD1-ND2 3.13Å
133V91.9Very high89Confident62 Ų6284.6 Ų84.638%0.37647%0.468SS..Hα-helixtrans-61.2-47.5174.7173.30000111.3A129 V130 Q135 N136 V137 L145A129-V133 WeakPolarHBondContact O-CG2 3.39Å; A129-V133 PolarHBondContact O-N 3.49Å; V130-V133 PolarHBondContact O-N 3.33Å; V133-Q135 PolarHBondContact O-N 3.01Å; V133-N136 PolarHBondContact O-N 2.92Å; V133-V137 HydrophobicContact CG1-CB 4.47Å; V133-V137 HydrophobicContact CG1-CG2 4.16Å; V133-V137 WeakPolarHBondContact O-CB 3.46Å; V133-V137 PolarHBondContact O-N 3.29Å; V133-L145 HydrophobicContact CB-CD2 4.43Å; V133-L145 HydrophobicContact CG1-CD2 4Å
134C88.8Confident88.9Confident32 Ų3286.7 Ų86.722%0.21648%0.475CS..Hα-helixtrans-66.6-23.6-179.9-67.30000113.9V130 R131 T140 S142V130-C134 PolarHBondContact O-N 3.48Å; V130-C134 PolarHBondContact O-SG 3.33Å; V130-C134 VanDerWaalsContact O-SG 3.33Å; R131-C134 PolarHBondContact O-N 3.01Å; C134-T140 WeakPolarHBondContact CA-OG1 3.35Å; C134-T140 PolarHBondContact SG-O 3.39Å; C134-T140 PolarHBondContact SG-OG1 2.83Å; C134-S142 WeakPolarHBondContact SG-CA 3.28Å
135Q88.4Confident88.9Confident141 Ų14184 Ų8466%0.65946%0.464SS*.Hα-helixtrans-75.3-27.5172.8-76.7175-14.800112.7R131 N132 V133R131-Q135 VanDerWaalsContact O-CG 3.3Å; R131-Q135 WeakPolarHBondContact O-CG 3.44Å; R131-Q135 PolarHBondContact O-N 3.22Å; N132-Q135 PolarHBondContact O-N 2.92Å; V133-Q135 PolarHBondContact O-N 3.01Å
136N89.1Confident88.9Confident120 Ų12079.2 Ų79.264%0.64245%0.447SS*.Hα-helixtrans-102.8-15.5-176.7-67-63.3000113.5N132 V133N132-N136 PolarHBondContact O-N 3.37Å; N132-N136 PolarHBondContact O-ND2 3.04Å; N132-N136 PolarHBondContact OD1-ND2 3.13Å; V133-N136 PolarHBondContact O-N 2.92Å
137V87.6Confident88.9Confident70 Ų7082.2 Ų82.242%0.42446%0.462SS..SBendtrans-125.3106.1-176.1-173.90000110.1V133 T140V133-V137 HydrophobicContact CG1-CB 4.47Å; V133-V137 HydrophobicContact CG1-CG2 4.16Å; V133-V137 WeakPolarHBondContact O-CB 3.46Å; V133-V137 PolarHBondContact O-N 3.29Å; V137-T140 HydrophobicContact CB-CG2 4.24Å; V137-T140 HydrophobicContact CG1-CG2 3.74Å; V137-T140 PolarHBondContact O-OG1 2.84Å
138D81.5Confident89Confident158 Ų15884.6 Ų84.685%0.84547%0.474SS*.THydrogen-bonded Turntrans-62.2140.3177.2-65.9-37.6000111.9
139G79.7Confident89.2Confident88 Ų8883.3 Ų83.391%0.90746%0.464SS*.THydrogen-bonded Turntrans85.6-0.9176.800000115.8
140T81.2Confident89.3Confident52 Ų5281.8 Ų81.832%0.31945%0.45SS..  trans-89123.7175.559.20000112.1C134 V137C134-T140 WeakPolarHBondContact CA-OG1 3.35Å; C134-T140 PolarHBondContact SG-O 3.39Å; C134-T140 PolarHBondContact SG-OG1 2.83Å; V137-T140 HydrophobicContact CB-CG2 4.24Å; V137-T140 HydrophobicContact CG1-CG2 3.74Å; V137-T140 PolarHBondContact O-OG1 2.84Å
141C81.2Confident89.4Confident58 Ų5888.7 Ų88.739%0.39248%0.475SS..  trans-82.3119.9172.6-178.40000110.5Q143 Q144 L145C141-Q143 VanDerWaalsContact C-N 3.28Å; C141-Q143 PolarHBondContact O-N 3.35Å; C141-Q144 HydrophobicContact CB-CB 4.09Å; C141-Q144 HydrophobicContact CB-CG 3.99Å; C141-Q144 PolarHBondContact O-N 2.91Å; C141-L145 PolarHBondContact O-N 2.85Å; C141-L145 VanDerWaalsContact O-N 3.08Å
142S84.6Confident89.7Confident54 Ų5485.3 Ų85.338%0.37847%0.469SS..Hα-helixtrans-55.2-40.7-179.358.90000113.2V130 C134 L146V130-S142 VanDerWaalsContact CG1-O 3.31Å; V130-S142 WeakPolarHBondContact CG1-O 3.43Å; C134-S142 WeakPolarHBondContact SG-CA 3.28Å; S142-L146 VanDerWaalsContact O-CB 3.26Å; S142-L146 WeakPolarHBondContact O-CB 3.49Å; S142-L146 PolarHBondContact O-N 3.11Å
143Q88.8Confident89.9Confident130 Ų13083.9 Ų83.961%0.60746%0.463SS*.Hα-helixtrans-71.1-39.6-178.6-67.2-63.4-18.700112.7C141 H147C141-Q143 VanDerWaalsContact C-N 3.28Å; C141-Q143 PolarHBondContact O-N 3.35Å; Q143-H147 WeakPolarHBondContact O-CB 3.36Å; Q143-H147 PolarHBondContact O-N 3.48Å
144Q91.2Very high90.1Very high137 Ų13784.7 Ų84.764%0.6447%0.466SS*.Hα-helixtrans-68.2-41.8178.7-68.9179.5-36.100111.5C141 H147 T148C141-Q144 HydrophobicContact CB-CB 4.09Å; C141-Q144 HydrophobicContact CB-CG 3.99Å; C141-Q144 PolarHBondContact O-N 2.91Å; Q144-H147 PolarHBondContact O-N 2.89Å; Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 2.9Å; Q144-T148 PolarHBondContact O-OG1 3.29Å
145L92.7Very high90.4Very high60 Ų6087 Ų8731%0.31447%0.473SS..Hα-helixtrans-65.4-45.2177.6-174.958.6000110.8V130 V133 C141 H147 T148 V149V130-L145 HydrophobicContact CG1-CB 4.2Å; V130-L145 HydrophobicContact CG1-CD2 4.18Å; V130-L145 HydrophobicContact CG1-CG 4.39Å; V130-L145 HydrophobicContact CG2-CD2 4.25Å; V130-L145 HydrophobicContact CG2-CG 4.18Å; V133-L145 HydrophobicContact CB-CD2 4.43Å; V133-L145 HydrophobicContact CG1-CD2 4Å; C141-L145 PolarHBondContact O-N 2.85Å; C141-L145 VanDerWaalsContact O-N 3.08Å; L145-H147 PolarHBondContact O-N 3.45Å; L145-T148 WeakPolarHBondContact O-CB 3.47Å; L145-T148 PolarHBondContact O-N 2.98Å; L145-V149 WeakPolarHBondContact O-CG2 3.41Å; L145-V149 PolarHBondContact O-N 3.22Å
146L94.2Very high90.6Very high25 Ų2586.9 Ų86.913%0.13147%0.472CS..Hα-helixtrans-59.3-46.8176.4-174.863.5000111.7A122 F126 V130 S142 T148 V149 C150A122-L146 HydrophobicContact CB-CD1 4.28Å; F126-L146 HydrophobicContact CB-CD1 3.65Å; V130-L146 HydrophobicContact CG2-CD1 4.38Å; S142-L146 VanDerWaalsContact O-CB 3.26Å; S142-L146 WeakPolarHBondContact O-CB 3.49Å; S142-L146 PolarHBondContact O-N 3.11Å; L146-T148 VanDerWaalsContact C-N 3.29Å; L146-T148 PolarHBondContact O-N 3.35Å; L146-V149 PolarHBondContact O-N 2.59Å; L146-C150 PolarHBondContact O-N 3.29Å; L146-C150 PolarHBondContact O-SG 3.3Å; L146-C150 VanDerWaalsContact O-SG 3.32Å
147H94.5Very high90.9Very high135 Ų13583.2 Ų83.263%0.62546%0.459SS*.Hα-helixtrans-61.1-38177.2-176.3-94000112.4Q143 Q144 L145 C150 R151Q143-H147 WeakPolarHBondContact O-CB 3.36Å; Q143-H147 PolarHBondContact O-N 3.48Å; Q144-H147 PolarHBondContact O-N 2.89Å; L145-H147 PolarHBondContact O-N 3.45Å; H147-C150 PolarHBondContact O-N 2.99Å; H147-R151 PolarHBondContact O-N 3.44Å
148T95.1Very high91.1Very high71 Ų7186.1 Ų86.144%0.43647%0.466SS..Hα-helixtrans-64.1-44.4176.8-57.70000111.5Q144 L145 L146 R151 N152Q144-T148 WeakPolarHBondContact O-CB 3.35Å; Q144-T148 PolarHBondContact O-N 2.9Å; Q144-T148 PolarHBondContact O-OG1 3.29Å; L145-T148 WeakPolarHBondContact O-CB 3.47Å; L145-T148 PolarHBondContact O-N 2.98Å; L146-T148 VanDerWaalsContact C-N 3.29Å; L146-T148 PolarHBondContact O-N 3.35Å; T148-R151 PolarHBondContact O-N 2.94Å; T148-N152 VanDerWaalsContact O-CG 3.26Å; T148-N152 PolarHBondContact O-N 3.15Å; T148-N152 PolarHBondContact O-OD1 2.9Å
149V94.9Very high91.6Very high39 Ų3984.9 Ų84.924%0.23646%0.455CS..Hα-helixtrans-61.7-47.2175.5174.40000110.9F126 L145 L146 R151 N152 V153F126-V149 HydrophobicContact CD1-CG1 3.71Å; F126-V149 HydrophobicContact CD2-CG1 4.36Å; F126-V149 HydrophobicContact CE1-CG1 3.82Å; F126-V149 HydrophobicContact CE2-CG1 4.47Å; F126-V149 HydrophobicContact CG-CG1 4Å; F126-V149 HydrophobicContact CZ-CG1 4.22Å; L145-V149 WeakPolarHBondContact O-CG2 3.41Å; L145-V149 PolarHBondContact O-N 3.22Å; L146-V149 PolarHBondContact O-N 2.59Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.39Å; V149-N152 PolarHBondContact O-N 3.47Å; V149-N152 VanDerWaalsContact O-N 3.14Å; V149-V153 WeakPolarHBondContact O-CG2 3.35Å; V149-V153 PolarHBondContact O-N 3.18Å
150C95.1Very high92Very high22 Ų2287.1 Ų87.115%0.14945%0.445CS..Hα-helixtrans-59.3-40177.6-68.40000112.5V118 L146 H147 V153 L154V118-C150 HydrophobicContact CG1-CB 3.83Å; L146-C150 PolarHBondContact O-N 3.29Å; L146-C150 PolarHBondContact O-SG 3.3Å; L146-C150 VanDerWaalsContact O-SG 3.32Å; H147-C150 PolarHBondContact O-N 2.99Å; C150-V153 PolarHBondContact O-N 3.34Å; C150-L154 PolarHBondContact O-N 3.32Å
151R95.9Very high92.5Very high157 Ų15792.3 Ų92.359%0.59246%0.464SS*.Hα-helixtrans-63.3-44.8174.6-176.6-179.1176.8-175.5-1111.6H147 T148 V149 V153 L154 E155H147-R151 PolarHBondContact O-N 3.44Å; T148-R151 PolarHBondContact O-N 2.94Å; V149-R151 VanDerWaalsContact C-N 3.3Å; V149-R151 PolarHBondContact O-N 3.39Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 3.07Å; R151-L154 WeakPolarHBondContact O-CB 3.46Å; R151-L154 PolarHBondContact O-N 3.2Å; R151-L154 VanDerWaalsContact O-N 3.1Å; R151-E155 PolarHBondContact O-N 3.43Å; R151-E155 VanDerWaalsContact O-N 3.08Å
152N96.7Very high92.7Very high90 Ų9094.3 Ų94.348%0.48148%0.476SS..Hα-helixtrans-62.6-38.2179-67.9-11.2000111.6T148 V149 L154 E155 E156T148-N152 VanDerWaalsContact O-CG 3.26Å; T148-N152 PolarHBondContact O-N 3.15Å; T148-N152 PolarHBondContact O-OD1 2.9Å; V149-N152 PolarHBondContact O-N 3.47Å; V149-N152 VanDerWaalsContact O-N 3.14Å; N152-L154 VanDerWaalsContact C-N 3.26Å; N152-L154 PolarHBondContact O-N 3.33Å; N152-E155 PolarHBondContact O-N 3.34Å; N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 3.46Å
153V95.5Very high92.6Very high60 Ų6099 Ų9936%0.36450%0.496SS..Hα-helixtrans-56.4-40.8173.1170.50000111.6F126 V149 C150 R151 A157F126-V153 HydrophobicContact CE2-CG2 4.39Å; F126-V153 HydrophobicContact CZ-CG2 4.3Å; V149-V153 WeakPolarHBondContact O-CG2 3.35Å; V149-V153 PolarHBondContact O-N 3.18Å; C150-V153 PolarHBondContact O-N 3.34Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 3.07Å; V153-A157 WeakPolarHBondContact O-CB 3.48Å; V153-A157 PolarHBondContact O-N 3.5Å
154L96Very high91.8Very high80 Ų8097.4 Ų97.442%0.41951%0.506SS..Hα-helixtrans-71.4-36.7178.1-64.2174.4000112.8I114 V118 C150 R151 N152 A157 K158I114-L154 HydrophobicContact CG2-CD2 3.72Å; V118-L154 HydrophobicContact CG2-CD2 4.12Å; C150-L154 PolarHBondContact O-N 3.32Å; R151-L154 WeakPolarHBondContact O-CB 3.46Å; R151-L154 PolarHBondContact O-N 3.2Å; R151-L154 VanDerWaalsContact O-N 3.1Å; N152-L154 VanDerWaalsContact C-N 3.26Å; N152-L154 PolarHBondContact O-N 3.33Å; L154-A157 PolarHBondContact O-N 3.32Å; L154-K158 PolarHBondContact O-N 3.28Å
155E95.1Very high89.9Confident81 Ų8199.3 Ų99.338%0.37952%0.515SS..Hα-helixtrans-66.4-37.8174.8-67.6-64.2165.300111.9R151 N152 K158R151-E155 PolarHBondContact O-N 3.43Å; R151-E155 VanDerWaalsContact O-N 3.08Å; N152-E155 PolarHBondContact O-N 3.34Å; E155-K158 WeakPolarHBondContact O-CB 3.37Å; E155-K158 PolarHBondContact O-N 2.79Å; E155-K158 IonicContact OE2-NZ 2.89Å
156E92.8Very high87.3Confident137 Ų137103.2 Ų103.264%0.6454%0.536SS*.Hα-helixtrans-67.8-42.3172.6-69.1-56.1137.400111.5N152 K158 Q159N152-E156 WeakPolarHBondContact O-CG 3.48Å; N152-E156 PolarHBondContact O-N 3.46Å; E156-K158 PolarHBondContact O-N 3.31Å; E156-Q159 VanDerWaalsContact O-CB 3.3Å; E156-Q159 WeakPolarHBondContact O-CB 3.41Å; E156-Q159 WeakPolarHBondContact O-CG 3.49Å; E156-Q159 PolarHBondContact O-N 3.15Å; E156-Q159 VanDerWaalsContact O-N 3.07Å
157A93.6Very high84.7Confident44 Ų44111.7 Ų111.736%0.36458%0.575SS.*Hα-helixtrans-62.8-30.9177.400000112.9V153 L154 Q159 L160V153-A157 WeakPolarHBondContact O-CB 3.48Å; V153-A157 PolarHBondContact O-N 3.5Å; L154-A157 PolarHBondContact O-N 3.32Å; A157-Q159 PolarHBondContact O-N 3.19Å; A157-L160 WeakPolarHBondContact O-CB 3.35Å; A157-L160 WeakPolarHBondContact O-CG 2.73Å; A157-L160 PolarHBondContact O-N 3.22Å
158K93.5Very high81.9Confident130 Ų130108.6 Ų108.657%0.56558%0.579SS**Hα-helixtrans-61.4-26.5175.3178.1-178.2164.7-166.70112.6L154 E155 E156 L160 F161L154-K158 PolarHBondContact O-N 3.28Å; E155-K158 WeakPolarHBondContact O-CB 3.37Å; E155-K158 PolarHBondContact O-N 2.79Å; E155-K158 IonicContact OE2-NZ 2.89Å; E156-K158 PolarHBondContact O-N 3.31Å; K158-L160 PolarHBondContact O-N 3.07Å; K158-F161 PolarHBondContact O-N 3.26Å
159Q92Very high78.9Confident133 Ų133112.2 Ų112.262%0.62160%0.595SS**THydrogen-bonded Turntrans-64.9-17.6178-57.2-64.3-100113.4E156 A157 F161E156-Q159 VanDerWaalsContact O-CB 3.3Å; E156-Q159 WeakPolarHBondContact O-CB 3.41Å; E156-Q159 WeakPolarHBondContact O-CG 3.49Å; E156-Q159 PolarHBondContact O-N 3.15Å; E156-Q159 VanDerWaalsContact O-N 3.07Å; A157-Q159 PolarHBondContact O-N 3.19Å; Q159-F161 PolarHBondContact O-N 3.18Å
160L87.9Confident76.2Confident134 Ų134116.7 Ų116.770%0.70262%0.622SS**THydrogen-bonded Turntrans-63.6-19170.8-62.4174.4000112.7A157 K158 P162A157-L160 WeakPolarHBondContact O-CB 3.35Å; A157-L160 WeakPolarHBondContact O-CG 2.73Å; A157-L160 PolarHBondContact O-N 3.22Å; K158-L160 PolarHBondContact O-N 3.07Å; L160-P162 VanDerWaalsContact C-CD 3.46Å; L160-P162 WeakPolarHBondContact O-CD 3.44Å
161F90.2Very high73.1Confident161 Ų161124.6 Ų124.671%0.70665%0.654SS**SBendtrans-122.769.2-178.1-55.5-79.1000110.3K158 Q159 L163K158-F161 PolarHBondContact O-N 3.26Å; Q159-F161 PolarHBondContact O-N 3.18Å; F161-L163 PolarHBondContact O-N 2.98Å
162P86.9Confident70Confident101 Ų101126.1 Ų126.166%0.65667%0.665SS**  trans-61.2135.6-178.726.3-33.8000110.2L160 A164L160-P162 VanDerWaalsContact C-CD 3.46Å; L160-P162 WeakPolarHBondContact O-CD 3.44Å; P162-A164 PolarHBondContact O-N 3.3Å
163L81.7Confident66.7Low151 Ų151126.2 Ų126.279%0.79167%0.673SS**  trans-63.9124.8164.9-67172.2000106.8F161 Q165F161-L163 PolarHBondContact O-N 2.98Å; L163-Q165 PolarHBondContact O-N 3.04Å
164A71.9Confident63.6Low98 Ų98130.4 Ų130.481%0.8169%0.693SS**  trans-61.686.9174.400000109.6P162 N166P162-A164 PolarHBondContact O-N 3.3Å; A164-N166 PolarHBondContact O-N 3.2Å
165Q50.9Low60.4Low177 Ų177133.6 Ų133.683%0.82771%0.711SS**  trans-77.967.1166.4-72.3-173.7-1100108.1L163L163-Q165 PolarHBondContact O-N 3.04Å
166N39.5Very low57.4Low142 Ų142141.1 Ų141.176%0.75974%0.736SS**  trans-15552.3169.5-97.6-28.9000111.1A164A164-N166 PolarHBondContact O-N 3.2Å
167E39.4Very low54.5Low202 Ų202139.9 Ų139.994%0.94474%0.739SS**SBendtrans-141.686144.8-73.9-150.2158.500107.6
168G34.5Very low51.4Low70 Ų70146.1 Ų146.172%0.72276%0.761SS**  trans166.735.1-178.400000115.3V170G168-V170 PolarHBondContact O-N 2.94Å
169L33.4Very low48.6Very low148 Ų148145.2 Ų145.278%0.77577%0.768SS**  trans-76.765.1166.9-148.9102.6000109.6
170V36.8Very low45.7Very low132 Ų132143.9 Ų143.980%0.877%0.773SS**  trans-109.189.1153.6179.60000106G168 K172G168-V170 PolarHBondContact O-N 2.94Å; V170-K172 PolarHBondContact O-N 3.47Å; V170-K172 VanDerWaalsContact O-N 3.14Å
171K30.9Very low43Very low188 Ų188143 Ų14382%0.81778%0.776SS**  trans-55.8111.7160.1-71.9176175.2178.30107.8
172K31Very low40Very low189 Ų189141.1 Ų141.182%0.82278%0.777SS**  trans-142.9109.9144-157.5170.8-177.8176.50109.7V170V170-K172 PolarHBondContact O-N 3.47Å; V170-K172 VanDerWaalsContact O-N 3.14Å
173S26.8Very low37.1Very low93 Ų93144.5 Ų144.565%0.6578%0.784SS**  trans-49.1136.4162.9500000112
174N31.5Very low34.7Very low148 Ų148143.6 Ų143.679%0.79179%0.785SS**  -179.8138.5111.8-90.9-1.4000110.9
175D28.8Very low32.3Very low147 Ų147149.5 Ų149.579%0.78679%0.788SS**  trans-49.9132.1175.3-58.6-66.9000114.8
176R31.1Very low31.1Very low238 Ų238147.9 Ų147.990%0.89879%0.785SS**  178.3152.5114.5-103.2178.4-115.8-129.1-3.3112.8
177P32.1Very low30.4Very low111 Ų111148.6 Ų148.672%0.72178%0.783SS**  trans-97138.6-163.735.4-30000113.9
178H28Very low30.1Very low176 Ų176146.2 Ų146.282%0.81577%0.772SS**  trans49.7155.7155.1-88.9-76.1000118.7
179P35.2Very low29.5Very low110 Ų110154.6 Ų154.671%0.71478%0.782SS**  cis-133.3170.329.830.7-7.5000115.6P181P179-P181 WeakPolarHBondContact O-CD 3.42Å
180S31.5Very low29.3Very low105 Ų105156.3 Ų156.373%0.73478%0.783SS**  trans-60.4134.2166.857.10000110.5
181P29.9Very low29Very low117 Ų117162.2 Ų162.276%0.7679%0.791SS**  -141144.7127.56.716.5000115.8P179P179-P181 WeakPolarHBondContact O-CD 3.42Å
182V27.3Very low28.7Very low120 Ų120159 Ų15973%0.72779%0.787SS**  trans-52.5138.7154.91740000110
183E26.1Very low28.4Very low172 Ų172157.3 Ų157.380%0.80479%0.787SS**  trans59.7115.2162-69.7170.5-171.600118.1
184V31.3Very low28.4Very low132 Ų132157.5 Ų157.580%0.879%0.794SS**  -177.1103.9114158.10000106.3N186V184-N186 PolarHBondContact O-N 3.47Å
185Y22.9Very low28.2Very low222 Ų222161.2 Ų161.287%0.87180%0.799SS**  trans-74.4111.9154.9-75.3-92.2000106.3
186N24.8Very low28.1Very low143 Ų143159.9 Ų159.977%0.76580%0.796SS**  trans167.9151.2135.9-85.3-34.4000111.6V184V184-N186 PolarHBondContact O-N 3.47Å
187E26Very low28.1Very low157 Ų157157 Ų15773%0.73479%0.793SS**  trans78.7117.5176-46.7-161131.600114.5
188H31.3Very low27.7Very low152 Ų152159.9 Ų159.970%0.70480%0.796SS**  -157.610655.2-79.973.7000111.6K190H188-K190 PolarHBondContact O-N 3.31Å
189R22.8Very low27.8Very low247 Ų247155.9 Ų155.993%0.93279%0.794SS**  trans-83.188.9151.5-179.1-175.2179175.7-0.2107.8
190K28.5Very low27.8Very low184 Ų184155.8 Ų155.880%0.879%0.793SS**  trans-151.995159.6-73.7-169.8-176.9165.90110.6H188H188-K190 PolarHBondContact O-N 3.31Å
191R30.5Very low27.4Very low256 Ų256161.8 Ų161.897%0.96680%0.801SS**  trans-141108.7140-116.4-179.7-178.4-1790.3108.8
192T25.3Very low27.2Very low121 Ų121159.8 Ų159.874%0.74280%0.802SS**  trans-83.2156.517340.70000110.3
193N24.7Very low27Very low153 Ų153162.1 Ų162.182%0.81881%0.81SS**  trans88.5114.7151.1-69.1-11000122
194A27.4Very low26.8Very low97 Ų97157.3 Ų157.380%0.80281%0.806SS**  88.599123.400000119.4
195Y27.2Very low26.5Very low226 Ų226156.8 Ų156.889%0.88680%0.804SS**  -156.6143.2110.6-159.5-104.8000110.4
196V25.5Very low26.4Very low119 Ų119152.6 Ų152.672%0.72181%0.805SS**  trans-78.7131.5-175.9169.20000110.3
197Q31.5Very low26.3Very low178 Ų178154.7 Ų154.783%0.83281%0.807SS**  trans-163.3151.5139.9-154.9143.28.200111.3
198E23.1Very low26.1Very low171 Ų171152.9 Ų152.980%0.79981%0.812SS**  trans-87.2156.8-150.6-60.4170.7137.600116.7
199A30Very low25.7Very low92 Ų92154.4 Ų154.476%0.7682%0.819SS**  trans77.3155.2141.800000119.6
200P35.7Very low25.6Very low107 Ų107147.1 Ų147.170%0.69581%0.807SS**  -131.9-176.3-83.729.1-7.2000113.5
201Y24.6Very low25.4Very low231 Ų231146.6 Ų146.691%0.90681%0.807SS**  trans102.694.8170.1-65.6-84000116.8
202G24Very low25Very low75 Ų75142 Ų14277%0.77380%0.799SS**  trans171.344.2167.600000115.7
203N24.1Very low25Very low170 Ų170140.3 Ų140.391%0.90979%0.791SS**  trans-86.9126.9166.5-69.8-11.7000107.4
204G21.2Very low24.9Very low70 Ų70141.5 Ų141.572%0.72279%0.792SS**  cis92.772.220.400000110.8
205V25.4Very low24.7Very low122 Ų122140.3 Ų140.374%0.73979%0.789SS**  trans-151.397.1157.9-1720000109.6K207V205-K207 HydrophobicContact CG1-CG 4.34Å
206C21.3Very low24.5Very low134 Ų134135.1 Ų135.191%0.90579%0.786SS**  trans-125.3104.1150.2-76.70000106.5
207K23.1Very low25.1Very low186 Ų186134.3 Ų134.381%0.80978%0.783SS**  trans-69.5129.6173-80176.3169.6-179.70108.8V205V205-K207 HydrophobicContact CG1-CG 4.34Å
208S20.4Very low24.7Very low119 Ų119133.9 Ų133.983%0.83279%0.786SS**  trans-78.9127.7160.8-54.90000108.2
209E23.5Very low24.8Very low184 Ų184129.7 Ų129.786%0.8678%0.78SS**  trans-106.5113159.6-75.2-179159.400107.5
210S21.3Very low24.5Very low95 Ų95132.5 Ų132.566%0.66478%0.782SS**  trans-54.8143.2157.344.70000110.1
211E22.8Very low24.4Very low172 Ų172132.7 Ų132.780%0.80478%0.781SS**  161.6145.1109.7-82.9169.7-170.600103.6
212M23.7Very low24.5Very low161 Ų161127.1 Ų127.179%0.79378%0.776SS**  cis-174.5149.536.4-144.7176.1157.400107.7
213S24.5Very low24.9Very low84 Ų84130.9 Ų130.959%0.58777%0.774SS**  trans50.6150.5142.2-83.60000121.5
214E22.4Very low25.1Very low179 Ų179128 Ų12884%0.83677%0.767SS**  cis178.6155.2-9.6-113.3169.9146.200104.2
215G22.8Very low25.4Very low71 Ų71134.8 Ų134.873%0.73277%0.771SS**  trans96.491.6149.200000118.7
216S24.3Very low25.8Very low117 Ų117139.8 Ų139.882%0.81878%0.778SS**  -1.1168.8119.7-63.40000119.4
217P36.5Very low26.4Very low102 Ų102141 Ų14166%0.66277%0.774SS**  cis-140.3175-29.838.6-19.8000114.1
218L23.7Very low26.4Very low170 Ų170137.9 Ų137.989%0.8978%0.775SS**  trans74.6148.2147.2-73160.7000121.7
219A26.6Very low27.1Very low83 Ų83142.4 Ų142.469%0.68678%0.775SS**  trans85.685.3159.100000118.4V221A219-V221 PolarHBondContact O-N 3.1Å
220D23Very low27.6Very low151 Ų151137 Ų13781%0.80776%0.758SS**  18.994.7114.7-156.47.2000116.6
221V32.4Very low28.1Very low110 Ų110139.8 Ų139.867%0.66777%0.765SS**  trans-13781.6149.1-177.30000107.5A219 Q223A219-V221 PolarHBondContact O-N 3.1Å; V221-Q223 HydrophobicContact CG1-CB 3.84Å; V221-Q223 HydrophobicContact CG1-CG 3.58Å; V221-Q223 PolarHBondContact O-N 3.29Å
222S28.3Very low28.6Very low115 Ų115139.7 Ų139.780%0.80476%0.762SS**  trans-6978.2157.4-157.90000108.7
223Q31.1Very low28.9Very low154 Ų154142.9 Ų142.972%0.7277%0.765SS**  trans-97.890.4165.7-88.6-178.37.400109.8V221 R225V221-Q223 HydrophobicContact CG1-CB 3.84Å; V221-Q223 HydrophobicContact CG1-CG 3.58Å; V221-Q223 PolarHBondContact O-N 3.29Å; Q223-R225 PolarHBondContact O-N 3Å; Q223-R225 VanDerWaalsContact O-N 3.1Å
224S28.2Very low29.3Very low110 Ų110145.4 Ų145.477%0.76977%0.771SS**  7.294.4122.3171.90000114.4
225R28.4Very low29.5Very low211 Ų211147.4 Ų147.480%0.79677%0.771SS**  trans-147.672.6152.9-76-160.4-67.8165.9-3110.4Q223Q223-R225 PolarHBondContact O-N 3Å; Q223-R225 VanDerWaalsContact O-N 3.1Å
226Y33.3Very low29.8Very low228 Ų228148.9 Ų148.989%0.89477%0.766SS**SBendtrans-14688.4140.4-76.7-66.4000109.5
227L33.5Very low30Very low158 Ų158152.5 Ų152.583%0.82777%0.767SS**  trans45.497.7139.6-60.7171.2000117.2Y229L227-Y229 PolarHBondContact O-N 3.34Å
228C23.6Very low29.9Very low121 Ų121153.9 Ų153.982%0.81877%0.768SS**  trans-35.598.2147.3-163.70000111.5S230C228-S230 PolarHBondContact O-N 3.15Å
229Y35.6Very low30.5Very low214 Ų214150.8 Ų150.884%0.83977%0.766SS**  trans-79.799.2147.9-142.1-98000104.9L227 N231L227-Y229 PolarHBondContact O-N 3.34Å; Y229-N231 PolarHBondContact O-N 3.44Å
230S33.5Very low30.7Very low71 Ų71151.2 Ų151.250%0.49777%0.765SS.*  trans-55.7110.517776.30000107.4C228 K232C228-S230 PolarHBondContact O-N 3.15Å; S230-K232 PolarHBondContact O-N 3.03Å
231N32.5Very low31.1Very low153 Ų153151.8 Ų151.882%0.81876%0.76SS**  trans-68.380.8161.9-80.3-35.7000106.1Y229 R233Y229-N231 PolarHBondContact O-N 3.44Å; N231-R233 VanDerWaalsContact C-N 3.29Å; N231-R233 PolarHBondContact O-N 3.16Å
232K33Very low31.2Very low171 Ų171153.8 Ų153.874%0.74377%0.765SS**  trans-51.5110153.7-79.3-178.3178.8177.30104S230 I234S230-K232 PolarHBondContact O-N 3.03Å; K232-I234 PolarHBondContact O-N 3.18Å
233R29.5Very low31.8Very low227 Ų227152.3 Ų152.386%0.85775%0.751SS**  trans-47.492.9163.6-76.9175178.9169.3-1.9106.5N231 R235N231-R233 VanDerWaalsContact C-N 3.29Å; N231-R233 PolarHBondContact O-N 3.16Å; R233-R235 PolarHBondContact O-N 2.92Å
234I33.3Very low32.4Very low138 Ų138147.2 Ų147.271%0.70873%0.733SS**  trans-70.980.3157.3-61177.3000103.1K232 T236K232-I234 PolarHBondContact O-N 3.18Å; I234-T236 HydrophobicContact CG2-CG2 3.43Å; I234-T236 VanDerWaalsContact CG2-CG2 3.43Å; I234-T236 PolarHBondContact O-N 3.42Å
235R26.3Very low33.3Very low220 Ų220146.5 Ų146.583%0.8372%0.724SS**  trans-67.276.4151.2-75.5177.594.9169.86.9104.1R233 K237R233-R235 PolarHBondContact O-N 2.92Å; R235-K237 VanDerWaalsContact C-N 3.34Å; R235-K237 PolarHBondContact O-N 3.39Å
236T29.9Very low34.6Very low102 Ų102141.6 Ų141.663%0.62671%0.714SS**  trans-60.6111.8156.8310000104.4I234 L238I234-T236 HydrophobicContact CG2-CG2 3.43Å; I234-T236 VanDerWaalsContact CG2-CG2 3.43Å; I234-T236 PolarHBondContact O-N 3.42Å; T236-L238 PolarHBondContact O-N 3.38Å
237K28.3Very low36Very low193 Ų193134.1 Ų134.184%0.83969%0.692SS**  trans-58.779.8157-66.8176.7176.7178.60106.2R235 A239R235-K237 VanDerWaalsContact C-N 3.34Å; R235-K237 PolarHBondContact O-N 3.39Å; K237-A239 VanDerWaalsContact C-N 3.3Å
238L34Very low37.6Very low132 Ų132128.1 Ų128.169%0.69166%0.662SS**  trans-105.846.1170-15572.4000108.5T236T236-L238 PolarHBondContact O-N 3.38Å
239A37.1Very low39.8Very low104 Ų104123.6 Ų123.686%0.8663%0.629SS**  trans-83.68.6158.800000111.1K237K237-A239 VanDerWaalsContact C-N 3.3Å
240S30.4Very low41.7Very low93 Ų93118.8 Ų118.865%0.6561%0.614SS**SBendtrans-141.156.7-175.466.20000112.1
241K31.2Very low43.8Very low162 Ų162117 Ų11770%0.70460%0.597SS**  trans-169.388.8134-119.5173.1173179.10107.6V243K241-V243 HydrophobicContact CB-CG2 3.86Å; K241-V243 HydrophobicContact CD-CG2 3.56Å; K241-V243 HydrophobicContact CG-CG2 3.58Å; K241-V243 PolarHBondContact O-N 2.9Å
242I34.6Very low46.1Very low152 Ų152110 Ų11078%0.77956%0.56SS**  trans-6069.6143.6-58.6162.2000104.9S244I242-S244 PolarHBondContact O-N 3.47Å
243V40.2Very low48.5Very low84 Ų84103.2 Ų103.251%0.50953%0.532SS..  trans-70.7103.4152176.10000101K241 T247K241-V243 HydrophobicContact CB-CG2 3.86Å; K241-V243 HydrophobicContact CD-CG2 3.56Å; K241-V243 HydrophobicContact CG-CG2 3.58Å; K241-V243 PolarHBondContact O-N 2.9Å; V243-T247 HydrophobicContact CG1-CG2 4.17Å
244S43.3Very low51.1Low47 Ų4793.7 Ų93.733%0.32950%0.499SS..  trans-41.9139.1-151.9-47.60000112.5I242 N246 T247I242-S244 PolarHBondContact O-N 3.47Å; S244-N246 CarbonylContact O-C 3.57Å; S244-N246 PolarHBondContact O-N 3Å; S244-T247 PolarHBondContact O-N 3.01Å; S244-T247 PolarHBondContact O-OG1 3.3Å
245T48.5Very low53.6Low95 Ų9591.5 Ų91.558%0.58350%0.496SS*.Hα-helixtrans-42.7-28.5159.346.50000112L249T245-L249 VanDerWaalsContact O-CB 3.3Å; T245-L249 WeakPolarHBondContact O-CB 3.38Å; T245-L249 PolarHBondContact O-N 3.16Å; T245-L249 VanDerWaalsContact O-N 3.16Å
246N54.3Low56.4Low109 Ų10983.5 Ų83.558%0.58347%0.466SS*.Hα-helixtrans-63.4-38.6171.4-61.9-12.2000115.2S244 L249 E250S244-N246 CarbonylContact O-C 3.57Å; S244-N246 PolarHBondContact O-N 3Å; N246-L249 PolarHBondContact O-N 2.85Å; N246-E250 VanDerWaalsContact O-CB 3.28Å; N246-E250 WeakPolarHBondContact O-CB 3.38Å; N246-E250 PolarHBondContact O-N 3.37Å
247T63.3Low59.2Low71 Ų7178.8 Ų78.844%0.43644%0.437SS..Hα-helixtrans-69.6-40.3-176.760.60000111.6V243 S244 K251V243-T247 HydrophobicContact CG1-CG2 4.17Å; S244-T247 PolarHBondContact O-N 3.01Å; S244-T247 PolarHBondContact O-OG1 3.3Å; T247-K251 PolarHBondContact O-N 3.45Å
248V66.7Low62.1Low32 Ų3272.8 Ų72.819%0.19442%0.416CS..Hα-helixtrans-67.4-44.6174.7-178.10000109.6E250 K251 F302 M385V248-E250 VanDerWaalsContact C-N 3.35Å; V248-E250 PolarHBondContact O-N 2.95Å; V248-K251 WeakPolarHBondContact O-CB 3.33Å; V248-K251 PolarHBondContact O-N 3.22Å; V248-F302 HydrophobicContact CB-CD1 4.21Å; V248-F302 HydrophobicContact CG1-CB 4.28Å; V248-F302 HydrophobicContact CG1-CD1 3.84Å; V248-F302 VanDerWaalsContact CG1-O 3.22Å; V248-F302 WeakPolarHBondContact CG1-O 3.01Å; V248-M385 HydrophobicContact CG1-CE 3.81Å
249L71.1Confident64.7Low25 Ų2572.6 Ų72.613%0.13141%0.412CS..Hα-helixtrans-61.1-42.9178.6-172.564.5000111.9T245 N246 K251 W252 N253 Y382 M385 K386T245-L249 VanDerWaalsContact O-CB 3.3Å; T245-L249 WeakPolarHBondContact O-CB 3.38Å; T245-L249 PolarHBondContact O-N 3.16Å; T245-L249 VanDerWaalsContact O-N 3.16Å; N246-L249 PolarHBondContact O-N 2.85Å; L249-K251 PolarHBondContact O-N 3.37Å; L249-W252 PolarHBondContact O-N 2.91Å; L249-W252 VanDerWaalsContact O-N 3.08Å; L249-N253 PolarHBondContact O-N 3.4Å; L249-Y382 HydrophobicContact CD1-CD2 3.71Å; L249-Y382 HydrophobicContact CD1-CE2 3.53Å; L249-Y382 HydrophobicContact CD1-CG 4.45Å; L249-Y382 HydrophobicContact CD2-CE2 4.38Å; L249-Y382 HydrophobicContact CG-CD2 4.18Å; L249-Y382 HydrophobicContact CG-CE2 3.52Å; L249-Y382 WeakPolarHBondContact O-CD2 3.42Å; L249-Y382 WeakPolarHBondContact O-CE2 3.26Å; L249-M385 HydrophobicContact CD1-CB 4.01Å; L249-K386 HydrophobicContact CD1-CB 4.41Å
250E75.8Confident67.3Low114 Ų11472.9 Ų72.953%0.53340%0.399SS..Hα-helixtrans-60.4-33.8178.1-163.458.7-141.400112.1N246 V248 W252 N253N246-E250 VanDerWaalsContact O-CB 3.28Å; N246-E250 WeakPolarHBondContact O-CB 3.38Å; N246-E250 PolarHBondContact O-N 3.37Å; V248-E250 VanDerWaalsContact C-N 3.35Å; V248-E250 PolarHBondContact O-N 2.95Å; E250-W252 VanDerWaalsContact C-N 3.28Å; E250-W252 PolarHBondContact O-N 3.45Å; E250-N253 WeakPolarHBondContact O-CB 3.42Å; E250-N253 PolarHBondContact O-N 3.38Å; E250-N253 PolarHBondContact OE1-ND2 3.4Å
251K76.6Confident70.2Confident32 Ų3268.6 Ų68.614%0.13937%0.369CS..Hα-helixtrans-65.6-29.7176.5-175.4164.9-179.4151.10113.5T247 V248 L249 N253 R256 I305 D340 E343T247-K251 PolarHBondContact O-N 3.45Å; V248-K251 WeakPolarHBondContact O-CB 3.33Å; V248-K251 PolarHBondContact O-N 3.22Å; L249-K251 PolarHBondContact O-N 3.37Å; K251-N253 VanDerWaalsContact C-N 3.31Å; K251-R256 WeakPolarHBondContact O-CD 3.23Å; K251-R256 PolarHBondContact O-NE 2.83Å; K251-R256 PolarHBondContact O-NH1 3.41Å; K251-I305 WeakPolarHBondContact CE-O 3.45Å; K251-I305 VanDerWaalsContact NZ-CG2 3.28Å; K251-I305 PolarHBondContact NZ-O 3.31Å; K251-D340 WeakPolarHBondContact CE-OD1 3.3Å; K251-D340 IonicContact NZ-OD1 3.06Å; K251-E343 IonicContact NZ-OE1 3.73Å; K251-E343 PolarHBondContact NZ-OE1 2.8Å; K251-E343 IonicContact NZ-OE2 3.76Å; K251-E343 PolarHBondContact NZ-OE2 3.23Å
252W81.3Confident73.1Confident7 Ų764.4 Ų64.43%0.02735%0.352CS..THydrogen-bonded Turntrans-90.23.3174.9-62.893.6000112.3L249 E250 P254 V292 F307 M378 V381 Y382 M385L249-W252 PolarHBondContact O-N 2.91Å; L249-W252 VanDerWaalsContact O-N 3.08Å; E250-W252 VanDerWaalsContact C-N 3.28Å; E250-W252 PolarHBondContact O-N 3.45Å; W252-P254 WeakPolarHBondContact O-CD 3.45Å; W252-V292 HydrophobicContact CE3-CG2 4.33Å; W252-V292 HydrophobicContact CH2-CG2 3.37Å; W252-V292 HydrophobicContact CZ2-CG2 4.26Å; W252-V292 HydrophobicContact CZ3-CG2 3.36Å; W252-F307 AromaticContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CH2-CB 4.38Å; W252-F307 HydrophobicContact CH2-CD2 4.39Å; W252-F307 HydrophobicContact CZ3-CB 4.1Å; W252-F307 AromaticContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CD2 3.41Å; W252-F307 VanDerWaalsContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CE2 4.29Å; W252-F307 HydrophobicContact CZ3-CG 4.21Å; W252-M378 VanDerWaalsContact O-CG 3.24Å; W252-M378 WeakPolarHBondContact O-CG 3.34Å; W252-V381 HydrophobicContact CD2-CG1 3.99Å; W252-V381 HydrophobicContact CE3-CB 4.09Å; W252-V381 HydrophobicContact CE3-CG1 3.6Å; W252-V381 HydrophobicContact CZ3-CG1 3.99Å; W252-Y382 HydrophobicContact CB-CD2 4.12Å; W252-Y382 WeakPolarHBondContact O-CB 3.29Å; W252-Y382 WeakPolarHBondContact O-CD2 3.31Å; W252-M385 HydrophobicContact CB-SD 4.06Å; W252-M385 VanDerWaalsContact CD1-CE 3.49Å; W252-M385 HydrophobicContact CD2-SD 4.2Å; W252-M385 HydrophobicContact CG-CE 4.29Å; W252-M385 HydrophobicContact CG-SD 3.62Å
253N83.4Confident75.8Confident29 Ų2957.1 Ų57.116%0.15532%0.315CS..  trans-64.7119178.3-172.5-11.2000109.7L249 E250 K251 S255 R256 Y382L249-N253 PolarHBondContact O-N 3.4Å; E250-N253 WeakPolarHBondContact O-CB 3.42Å; E250-N253 PolarHBondContact O-N 3.38Å; E250-N253 PolarHBondContact OE1-ND2 3.4Å; K251-N253 VanDerWaalsContact C-N 3.31Å; N253-S255 PolarHBondContact O-N 3.12Å; N253-S255 VanDerWaalsContact OD1-CB 3.32Å; N253-S255 WeakPolarHBondContact OD1-CB 3.39Å; N253-S255 PolarHBondContact OD1-N 3.02Å; N253-S255 VanDerWaalsContact OD1-N 3.15Å; N253-S255 PolarHBondContact OD1-OG 2.94Å; N253-R256 WeakPolarHBondContact O-CG 3.43Å; N253-R256 PolarHBondContact O-N 3.38Å; N253-R256 VanDerWaalsContact O-N 3.1Å; N253-Y382 HydrophobicContact CB-CD2 4.44Å; N253-Y382 HydrophobicContact CB-CE2 4.11Å
254P84.3Confident78.2Confident27 Ų2753.1 Ų53.118%0.17529%0.291CS..G310 helixtrans-60.8-18.9-179.226.4-36.9000113.2W252 R256 L257 A379W252-P254 WeakPolarHBondContact O-CD 3.45Å; P254-R256 PolarHBondContact O-N 2.91Å; P254-L257 PolarHBondContact O-N 3.47Å; P254-L257 VanDerWaalsContact O-N 3.16Å; P254-A379 HydrophobicContact CB-CB 4.23Å; P254-A379 HydrophobicContact CG-CB 3.98Å
255S84.7Confident80.3Confident92 Ų9251.5 Ų51.564%0.64328%0.278SS*.G310 helixtrans-61.8-19.4176.4-48.20000113.5N253 L257N253-S255 PolarHBondContact O-N 3.12Å; N253-S255 VanDerWaalsContact OD1-CB 3.32Å; N253-S255 WeakPolarHBondContact OD1-CB 3.39Å; N253-S255 PolarHBondContact OD1-N 3.02Å; N253-S255 VanDerWaalsContact OD1-N 3.15Å; N253-S255 PolarHBondContact OD1-OG 2.94Å; S255-L257 PolarHBondContact O-N 3.46Å
256R86.1Confident82Confident51 Ų5147 Ų4719%0.19225%0.25CS..G310 helixtrans-70.4-22.1176.880.7-176.1-171.9141.60.3113.3K251 N253 P254 T258 F307 D340 M378K251-R256 WeakPolarHBondContact O-CD 3.23Å; K251-R256 PolarHBondContact O-NE 2.83Å; K251-R256 PolarHBondContact O-NH1 3.41Å; N253-R256 WeakPolarHBondContact O-CG 3.43Å; N253-R256 PolarHBondContact O-N 3.38Å; N253-R256 VanDerWaalsContact O-N 3.1Å; P254-R256 PolarHBondContact O-N 2.91Å; R256-T258 PolarHBondContact O-N 3.19Å; R256-F307 VanDerWaalsContact NH2-CB 3.32Å; R256-D340 IonicContact CZ-OD1 3.31Å; R256-D340 IonicContact CZ-OD2 2.74Å; R256-D340 IonicContact NH1-OD1 2.8Å; R256-D340 PolarHBondContact NH1-OD1 3.42Å; R256-D340 IonicContact NH1-OD2 2.66Å; R256-D340 IonicContact NH2-OD1 2.76Å; R256-D340 PolarHBondContact NH2-OD1 3.16Å; R256-D340 IonicContact NH2-OD2 3.72Å; R256-D340 PolarHBondContact NH2-OD2 2.95Å; R256-M378 HydrophobicContact CG-SD 4.14Å; R256-M378 VanDerWaalsContact NE-CE 3.28Å; R256-M378 VanDerWaalsContact NH2-CE 3.32Å
257L88.8Confident83.3Confident3 Ų345.8 Ų45.82%0.01625%0.248CC..  trans-83.5111-179.3-62177000109.4P254 S255 F263 L337 L371 V374 K375 M378P254-L257 PolarHBondContact O-N 3.47Å; P254-L257 VanDerWaalsContact O-N 3.16Å; S255-L257 PolarHBondContact O-N 3.46Å; L257-F263 HydrophobicContact CD2-CZ 3.96Å; L257-L337 HydrophobicContact CD2-CD1 4.01Å; L257-L337 HydrophobicContact CD2-CD2 4.41Å; L257-L371 HydrophobicContact CB-CD1 4.32Å; L257-V374 HydrophobicContact CD1-CG1 3.79Å; L257-K375 HydrophobicContact CB-CG 3.84Å; L257-K375 HydrophobicContact CD1-CG 3.85Å; L257-K375 HydrophobicContact CG-CG 4.49Å; L257-K375 WeakPolarHBondContact O-CE 3.33Å; L257-K375 PolarHBondContact O-NZ 2.73Å; L257-M378 HydrophobicContact CD1-CB 4.29Å; L257-M378 HydrophobicContact CD1-CE 3.99Å; L257-M378 HydrophobicContact CD1-SD 3.75Å; L257-M378 HydrophobicContact CD2-CE 4.25Å; L257-M378 HydrophobicContact CG-CE 4.21Å; L257-M378 HydrophobicContact CG-SD 3.94Å
258T88.8Confident84.2Confident68 Ų6843.3 Ų43.342%0.41723%0.232SC..  trans-112.1169.3177.568.20000110.4R256 N260 S261R256-T258 PolarHBondContact O-N 3.19Å; T258-N260 PolarHBondContact O-N 3.24Å; T258-N260 VanDerWaalsContact O-N 3.13Å; T258-N260 PolarHBondContact OG1-N 2.88Å; T258-S261 PolarHBondContact N-OG 2.95Å; T258-S261 VanDerWaalsContact O-CB 3.28Å; T258-S261 WeakPolarHBondContact O-CB 3.45Å; T258-S261 PolarHBondContact O-N 3.44Å; T258-S261 PolarHBondContact O-OG 3.18Å; T258-S261 PolarHBondContact OG1-N 3.14Å; T258-S261 PolarHBondContact OG1-OG 2.83Å
259E89.1Confident85.1Confident127 Ų12742 Ų4259%0.59322%0.224SC*.THydrogen-bonded Turntrans-63-17174.4-51.4-178-177.700112.6L368 L371E259-L368 HydrophobicContact CB-CD2 4.35Å; E259-L368 HydrophobicContact CG-CD2 3.56Å; E259-L371 HydrophobicContact CG-CD2 4.45Å
260N90.3Very high85.6Confident111 Ų11142 Ų4259%0.59422%0.224SC*.THydrogen-bonded Turntrans-93-7.4175.8-69.8-41.6000113.6T258 E262 K365T258-N260 PolarHBondContact O-N 3.24Å; T258-N260 VanDerWaalsContact O-N 3.13Å; T258-N260 PolarHBondContact OG1-N 2.88Å; N260-E262 PolarHBondContact O-N 3.39Å; N260-K365 PolarHBondContact OD1-NZ 3.46Å
261S91.1Very high85.9Confident3 Ų338.3 Ų38.32%0.02121%0.211CC..  trans-64.6129.2179.5-650000110.6T258 F263T258-S261 PolarHBondContact N-OG 2.95Å; T258-S261 VanDerWaalsContact O-CB 3.28Å; T258-S261 WeakPolarHBondContact O-CB 3.45Å; T258-S261 PolarHBondContact O-N 3.44Å; T258-S261 PolarHBondContact O-OG 3.18Å; T258-S261 PolarHBondContact OG1-N 3.14Å; T258-S261 PolarHBondContact OG1-OG 2.83Å; S261-F263 WeakPolarHBondContact O-CD2 3.39Å
262E92.6Very high86.2Confident73 Ų7336.8 Ų36.834%0.34120%0.204SC..EExtended strand (participates in β ladder)trans-98.4138.4-176.7-68.2-174.2152.400111.6N260 L338 P363 K365N260-E262 PolarHBondContact O-N 3.39Å; E262-L338 HydrophobicContact CB-CB 4.1Å; E262-L338 HydrophobicContact CB-CD2 4.07Å; E262-L338 WeakPolarHBondContact O-CB 3.49Å; E262-L338 PolarHBondContact O-N 3.28Å; E262-L338 VanDerWaalsContact OE2-CD2 3.23Å; E262-L338 WeakPolarHBondContact OE2-CD2 3.43Å; E262-P363 HydrophobicContact CB-CB 3.85Å; E262-P363 HydrophobicContact CG-CB 4.3Å; E262-K365 HydrophobicContact CG-CG 4.42Å
263F91.7Very high86.1Confident0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-120.2152-178-68.6-95.2000111L257 S261 L335 V336 L337 P363 F364 L366 L371 V374L257-F263 HydrophobicContact CD2-CZ 3.96Å; S261-F263 WeakPolarHBondContact O-CD2 3.39Å; F263-L335 HydrophobicContact CD1-CB 4.48Å; F263-V336 CarbonylContact C-O 3.59Å; F263-V336 WeakPolarHBondContact CA-O 3.26Å; F263-L337 HydrophobicContact CD1-CD1 4.43Å; F263-L337 HydrophobicContact CE1-CD1 4.03Å; F263-L337 HydrophobicContact CE2-CD1 4.3Å; F263-L337 HydrophobicContact CZ-CD1 3.97Å; F263-P363 WeakPolarHBondContact O-CA 3.3Å; F263-F364 HydrophobicContact CB-CZ 4.45Å; F263-F364 PolarHBondContact N-O 3.19Å; F263-F364 WeakPolarHBondContact O-CD1 3.32Å; F263-F364 WeakPolarHBondContact O-CE1 3.48Å; F263-F364 PolarHBondContact O-N 3.25Å; F263-L366 HydrophobicContact CB-CG 4.38Å; F263-L366 HydrophobicContact CD1-CD1 4.02Å; F263-L366 HydrophobicContact CD2-CB 4.44Å; F263-L366 HydrophobicContact CD2-CD1 3.51Å; F263-L366 HydrophobicContact CD2-CG 3.56Å; F263-L366 HydrophobicContact CE1-CD1 4.04Å; F263-L366 HydrophobicContact CE2-CD1 3.53Å; F263-L366 HydrophobicContact CE2-CG 3.95Å; F263-L366 HydrophobicContact CG-CD1 3.75Å; F263-L366 HydrophobicContact CG-CG 3.98Å; F263-L366 HydrophobicContact CZ-CD1 3.78Å; F263-L371 HydrophobicContact CE2-CD1 4.03Å; F263-L371 HydrophobicContact CZ-CD1 4.2Å; F263-V374 HydrophobicContact CE1-CG1 4.07Å; F263-V374 HydrophobicContact CZ-CG1 4.13Å
264V89.8Confident85.7Confident0 Ų035.9 Ų35.90%020%0.204CC..EExtended strand (participates in β ladder)trans-127.7151.7175.2-175.60000109.5Q268 V336 L338 I341 L361 P363V264-Q268 HydrophobicContact CG1-CB 3.81Å; V264-Q268 HydrophobicContact CG1-CG 3.84Å; V264-V336 PolarHBondContact N-O 2.95Å; V264-V336 PolarHBondContact O-N 3.12Å; V264-L338 HydrophobicContact CG2-CB 4.38Å; V264-L338 HydrophobicContact CG2-CD1 3.79Å; V264-I341 HydrophobicContact CB-CD1 4.07Å; V264-I341 HydrophobicContact CG2-CD1 4.33Å; V264-L361 HydrophobicContact CG1-CD2 3.78Å; V264-L361 HydrophobicContact CG2-CD2 4.32Å; V264-P363 HydrophobicContact CG2-CB 4.42Å
265L87.9Confident85.1Confident13 Ų1336 Ų367%0.06820%0.201CC..EExtended strand (participates in β ladder)trans-70.8140.6173.3-62.4-164.5000111.5Q268 A269 L319 K325 M327 L335 F364L265-Q268 HydrophobicContact CB-CB 4.42Å; L265-Q268 WeakPolarHBondContact O-CA 3.28Å; L265-Q268 WeakPolarHBondContact O-CB 3.24Å; L265-Q268 PolarHBondContact O-N 3.47Å; L265-A269 PolarHBondContact O-N 3.19Å; L265-L319 HydrophobicContact CD2-CD1 4.39Å; L265-L319 HydrophobicContact CD2-CD2 4.45Å; L265-K325 HydrophobicContact CD1-CB 4.19Å; L265-K325 HydrophobicContact CD1-CD 3.35Å; L265-K325 HydrophobicContact CD1-CG 4.12Å; L265-K325 HydrophobicContact CG-CD 4.01Å; L265-M327 HydrophobicContact CD1-CE 4.09Å; L265-L335 HydrophobicContact CD2-CD2 3.62Å; L265-F364 HydrophobicContact CD2-CE1 3.91Å; L265-F364 HydrophobicContact CD2-CZ 3.8Å; L265-F364 HydrophobicContact CG-CE1 4.21Å
266G83.8Confident83.9Confident0 Ų034.7 Ų34.70%020%0.196CC..Hα-helixtrans-52.6-45.1178.100000115Q268 A269 N270 F334G266-Q268 PolarHBondContact O-N 3.07Å; G266-A269 PolarHBondContact O-N 3.08Å; G266-N270 PolarHBondContact O-N 3.01Å; G266-N270 PolarHBondContact O-ND2 2.81Å; G266-N270 PolarHBondContact O-OD1 2.86Å; G266-F334 PolarHBondContact N-O 3.17Å
267P81.4Confident82.5Confident83 Ų8337 Ų3754%0.53923%0.226SC..Hα-helixtrans-58.6-31.9174.3-27.135.8000114.1N270 S271P267-N270 WeakPolarHBondContact O-CB 3.49Å; P267-S271 PolarHBondContact O-N 3.33Å; P267-S271 PolarHBondContact O-OG 3.05Å
268Q83.7Confident80.9Confident20 Ų2041.2 Ų41.29%0.09325%0.245CC..Hα-helixtrans-80-38.6179.9-173.8172.311.700111.3V264 L265 G266 N270 S271 A272 M360 L361 E362V264-Q268 HydrophobicContact CG1-CB 3.81Å; V264-Q268 HydrophobicContact CG1-CG 3.84Å; L265-Q268 HydrophobicContact CB-CB 4.42Å; L265-Q268 WeakPolarHBondContact O-CA 3.28Å; L265-Q268 WeakPolarHBondContact O-CB 3.24Å; L265-Q268 PolarHBondContact O-N 3.47Å; G266-Q268 PolarHBondContact O-N 3.07Å; Q268-N270 PolarHBondContact O-N 3.1Å; Q268-S271 PolarHBondContact O-N 2.81Å; Q268-A272 WeakPolarHBondContact O-CB 3.29Å; Q268-A272 PolarHBondContact O-N 3.35Å; Q268-M360 PolarHBondContact NE2-O 3.42Å; Q268-L361 HydrophobicContact CG-CD2 4.29Å; Q268-E362 VanDerWaalsContact NE2-CB 3.31Å
269A83.9Confident78.9Confident4 Ų449.5 Ų49.53%0.03327%0.269CS..Hα-helixtrans-57-38.3168.700000111.5L265 G266 A272 L273 I341L265-A269 PolarHBondContact O-N 3.19Å; G266-A269 PolarHBondContact O-N 3.08Å; A269-A272 PolarHBondContact O-N 3.37Å; A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 WeakPolarHBondContact O-CG 3.4Å; A269-L273 PolarHBondContact O-N 3.07Å; A269-I341 HydrophobicContact CB-CD1 3.63Å; A269-I341 HydrophobicContact CB-CG1 4.34Å
270N81.7Confident77.2Confident25 Ų2545.1 Ų45.113%0.13426%0.258CS..Hα-helixtrans-64.1-43.9175.6-67-21.8000112.9G266 P267 Q268 G274 Y275 A276 I282G266-N270 PolarHBondContact O-N 3.01Å; G266-N270 PolarHBondContact O-ND2 2.81Å; G266-N270 PolarHBondContact O-OD1 2.86Å; P267-N270 WeakPolarHBondContact O-CB 3.49Å; Q268-N270 PolarHBondContact O-N 3.1Å; N270-G274 PolarHBondContact O-N 3.37Å; N270-Y275 CarbonylContact O-C 3.51Å; N270-Y275 WeakPolarHBondContact O-CA 3.49Å; N270-Y275 PolarHBondContact O-N 2.86Å; N270-A276 PolarHBondContact O-N 3.08Å; N270-I282 WeakPolarHBondContact OD1-CD1 3.33Å; N270-I282 WeakPolarHBondContact OD1-CG1 3.49Å; N270-I282 WeakPolarHBondContact OD1-CG2 3.44Å
271S82.6Confident75.4Confident36 Ų3646.1 Ų46.125%0.25225%0.254SS..Hα-helixtrans-66.2-43.1177.8-58.80000111.5P267 Q268 L273 G274 M360P267-S271 PolarHBondContact O-N 3.33Å; P267-S271 PolarHBondContact O-OG 3.05Å; Q268-S271 PolarHBondContact O-N 2.81Å; S271-L273 VanDerWaalsContact C-N 3.27Å; S271-L273 PolarHBondContact O-N 3.1Å; S271-G274 PolarHBondContact O-N 2.92Å; S271-M360 WeakPolarHBondContact CB-SD 3.47Å
272A82.8Confident73.6Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-65.2-28.5-179.800000113.6Q268 A269 V356 D357 L361Q268-A272 WeakPolarHBondContact O-CB 3.29Å; Q268-A272 PolarHBondContact O-N 3.35Å; A269-A272 PolarHBondContact O-N 3.37Å; A272-V356 CarbonylContact O-C 3.46Å; A272-V356 VanDerWaalsContact O-CA 3.26Å; A272-V356 WeakPolarHBondContact O-CA 3.4Å; A272-V356 WeakPolarHBondContact O-CG1 3.25Å; A272-D357 VanDerWaalsContact CA-O 3.25Å; A272-D357 WeakPolarHBondContact CA-O 3.39Å; A272-D357 VanDerWaalsContact CB-O 3.29Å; A272-D357 WeakPolarHBondContact CB-O 3.48Å; A272-D357 PolarHBondContact O-N 3.44Å; A272-L361 HydrophobicContact CB-CD1 4.15Å; A272-L361 HydrophobicContact CB-CD2 3.36Å; A272-L361 HydrophobicContact CB-CG 3.62Å
273L80Confident71.7Confident3 Ų346 Ų462%0.01625%0.25CS..THydrogen-bonded Turntrans-93.48.2178.7-66.4174.4000113.7A269 S271 Y275 I341 L344 A345A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 WeakPolarHBondContact O-CG 3.4Å; A269-L273 PolarHBondContact O-N 3.07Å; S271-L273 VanDerWaalsContact C-N 3.27Å; S271-L273 PolarHBondContact O-N 3.1Å; L273-Y275 HydrophobicContact CB-CD2 3.59Å; L273-Y275 HydrophobicContact CB-CE2 3.85Å; L273-Y275 VanDerWaalsContact O-CD2 3.26Å; L273-Y275 WeakPolarHBondContact O-CD2 3.35Å; L273-Y275 WeakPolarHBondContact O-CE2 3.26Å; L273-I341 HydrophobicContact CD2-CG2 4.3Å; L273-I341 HydrophobicContact CG-CG2 4.46Å; L273-L344 HydrophobicContact CD1-CD1 3.9Å; L273-A345 HydrophobicContact CD2-CB 4.5Å
274G74.5Confident69.5Low15 Ų1551.3 Ų51.316%0.15528%0.283CS..THydrogen-bonded Turntrans76.521.8-179.500000114.9N270 S271 E355N270-G274 PolarHBondContact O-N 3.37Å; S271-G274 PolarHBondContact O-N 2.92Å; G274-E355 WeakPolarHBondContact CA-O 3.45Å; G274-E355 PolarHBondContact N-O 3.36Å; G274-E355 VanDerWaalsContact O-OE2 3.05Å
275Y71.5Confident67.4Low28 Ų2856.6 Ų56.611%0.1131%0.306CS..  trans-109.110.7-179.6-62.3-69.8000114N270 L273 A277 Q278 I282 Y286N270-Y275 CarbonylContact O-C 3.51Å; N270-Y275 WeakPolarHBondContact O-CA 3.49Å; N270-Y275 PolarHBondContact O-N 2.86Å; L273-Y275 HydrophobicContact CB-CD2 3.59Å; L273-Y275 HydrophobicContact CB-CE2 3.85Å; L273-Y275 VanDerWaalsContact O-CD2 3.26Å; L273-Y275 WeakPolarHBondContact O-CD2 3.35Å; L273-Y275 WeakPolarHBondContact O-CE2 3.26Å; Y275-A277 VanDerWaalsContact C-N 3.35Å; Y275-A277 PolarHBondContact O-N 3.18Å; Y275-Q278 PolarHBondContact O-N 3.5Å; Y275-I282 HydrophobicContact CD1-CG2 4.16Å; Y275-I282 HydrophobicContact CD2-CG2 3.26Å; Y275-I282 HydrophobicContact CE2-CG2 4.05Å; Y275-I282 HydrophobicContact CG-CG2 3.31Å; Y275-Y286 HydrophobicContact CE1-CE2 4.38Å; Y275-Y286 WeakPolarHBondContact OH-CE2 3.37Å
276A60.3Low65.5Low65 Ų6558.8 Ų58.854%0.53731%0.314SS..THydrogen-bonded Turntrans-57.8-40.6-177.800000114N270 Q278N270-A276 PolarHBondContact O-N 3.08Å; A276-Q278 VanDerWaalsContact C-N 3.27Å; A276-Q278 PolarHBondContact O-N 3.29Å
277A56.7Low63.7Low99 Ų9962.6 Ų62.682%0.81834%0.339SS*.THydrogen-bonded Turntrans-70.6-19.9-171.900000113.7Y275Y275-A277 VanDerWaalsContact C-N 3.35Å; Y275-A277 PolarHBondContact O-N 3.18Å
278Q53.8Low62Low92 Ų9260.5 Ų60.543%0.4333%0.326SS..SBendtrans-115.991.3-174.1-67.3-179.8-0.500111.1Y275 A276 G280 R281Y275-Q278 PolarHBondContact O-N 3.5Å; A276-Q278 VanDerWaalsContact C-N 3.27Å; A276-Q278 PolarHBondContact O-N 3.29Å; Q278-G280 PolarHBondContact O-N 3.45Å; Q278-G280 VanDerWaalsContact O-N 3.08Å; Q278-R281 HydrophobicContact CB-CB 4.01Å; Q278-R281 HydrophobicContact CB-CG 4.14Å; Q278-R281 PolarHBondContact O-N 2.74Å; Q278-R281 VanDerWaalsContact O-N 3.15Å
279R48.6Very low60.3Low242 Ų24260.8 Ų60.891%0.91333%0.328SS*.THydrogen-bonded Turntrans-49115.6177.6-166.8174.3-176.9170.7-0.6111
280G52Low58.5Low36 Ų3661.6 Ų61.637%0.37133%0.331SS..THydrogen-bonded Turntrans87.91.3173.400000116.7Q278 T284Q278-G280 PolarHBondContact O-N 3.45Å; Q278-G280 VanDerWaalsContact O-N 3.08Å; G280-T284 PolarHBondContact O-OG1 3.5Å
281R53.5Low56.5Low132 Ų13265 Ų6550%0.49834%0.344SS..Hα-helixtrans-88.1-18-170-81.3-164.1-175.2179.3-3.8118.1Q278 Y283 T284 K285Q278-R281 HydrophobicContact CB-CB 4.01Å; Q278-R281 HydrophobicContact CB-CG 4.14Å; Q278-R281 PolarHBondContact O-N 2.74Å; Q278-R281 VanDerWaalsContact O-N 3.15Å; R281-Y283 PolarHBondContact O-N 2.66Å; R281-T284 PolarHBondContact O-N 3.06Å; R281-K285 WeakPolarHBondContact O-CB 3.35Å; R281-K285 PolarHBondContact O-N 3.32Å
282I52.3Low54.3Low4 Ų465.5 Ų65.52%0.02135%0.346CS..Hα-helixtrans-57.2-39.6169.852.6146.5000111.1N270 Y275 T284 F290N270-I282 WeakPolarHBondContact OD1-CD1 3.33Å; N270-I282 WeakPolarHBondContact OD1-CG1 3.49Å; N270-I282 WeakPolarHBondContact OD1-CG2 3.44Å; Y275-I282 HydrophobicContact CD1-CG2 4.16Å; Y275-I282 HydrophobicContact CD2-CG2 3.26Å; Y275-I282 HydrophobicContact CE2-CG2 4.05Å; Y275-I282 HydrophobicContact CG-CG2 3.31Å; I282-T284 PolarHBondContact O-N 2.72Å; I282-F290 HydrophobicContact CB-CD2 4.44Å; I282-F290 HydrophobicContact CB-CE2 3.73Å; I282-F290 HydrophobicContact CB-CZ 3.79Å; I282-F290 HydrophobicContact CD1-CD1 4.23Å; I282-F290 HydrophobicContact CD1-CE1 3.4Å; I282-F290 HydrophobicContact CD1-CE2 4.03Å; I282-F290 HydrophobicContact CD1-CZ 3.25Å; I282-F290 HydrophobicContact CG1-CE2 4.45Å; I282-F290 HydrophobicContact CG1-CZ 4.12Å; I282-F290 HydrophobicContact CG2-CZ 4.47Å; I282-F290 WeakPolarHBondContact O-CD2 3.32Å
283Y53.1Low51.9Low69 Ų6973.2 Ų73.227%0.27138%0.38SS..Hα-helixtrans-76.6-24.1-175.2-47-63.8000113.4R281 F290 Q308R281-Y283 PolarHBondContact O-N 2.66Å; Y283-F290 AromaticContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CE1 4.35Å; Y283-F290 HydrophobicContact CD1-CG 4.35Å; Y283-F290 HydrophobicContact CE1-CD1 4.2Å; Y283-F290 HydrophobicContact CE1-CE1 4.21Å; Y283-Q308 PolarHBondContact OH-NE2 3.26Å
284T46.3Very low49.4Very low112 Ų11277.7 Ų77.769%0.68741%0.411SS*.Hα-helixtrans-103.6-30.9-176.9-47.10000113G280 R281 I282G280-T284 PolarHBondContact O-OG1 3.5Å; R281-T284 PolarHBondContact O-N 3.06Å; I282-T284 PolarHBondContact O-N 2.72Å
285K43.9Very low47.3Very low110 Ų11084.9 Ų84.948%0.47845%0.445SS..Hα-helixtrans-77.2-31.1-175.8-167.9-179.7175-1620112.3R281R281-K285 WeakPolarHBondContact O-CB 3.35Å; R281-K285 PolarHBondContact O-N 3.32Å
286Y50Low45.3Very low59 Ų5987.8 Ų87.823%0.23148%0.483CS..  trans-131.279.6178.3-57.2-82.1000110.9Y275 S288 L289 F290Y275-Y286 HydrophobicContact CE1-CE2 4.38Å; Y275-Y286 WeakPolarHBondContact OH-CE2 3.37Å; Y286-S288 PolarHBondContact O-N 2.94Å; Y286-L289 HydrophobicContact CD1-CD1 4.14Å; Y286-L289 HydrophobicContact CD2-CD1 4.06Å; Y286-L289 HydrophobicContact CG-CD1 3.67Å; Y286-L289 HydrophobicContact CG-CG 4.25Å; Y286-L289 PolarHBondContact O-N 3.5Å; Y286-F290 PolarHBondContact O-N 2.87Å
287P44.8Very low43.9Very low81 Ų8188 Ų8853%0.52649%0.492SS..Hα-helixtrans-61.2-24.417125.3-32.5000111.7L289 K291P287-L289 VanDerWaalsContact C-N 3.33Å; P287-K291 WeakPolarHBondContact O-CB 3.26Å
288S45.7Very low43.2Very low39 Ų3987.5 Ų87.527%0.27349%0.488SS..Hα-helixtrans-61-39171.249.70000111.6Y286 D303 S304Y286-S288 PolarHBondContact O-N 2.94Å; S288-D303 CarbonylContact O-C 2.94Å; S288-S304 WeakPolarHBondContact O-CA 3.15Å; S288-S304 WeakPolarHBondContact O-CB 3.36Å; S288-S304 PolarHBondContact O-N 3.43Å; S288-S304 PolarHBondContact O-OG 3.4Å
289L49.2Very low42.3Very low25 Ų2589.8 Ų89.813%0.13150%0.502CS..Hα-helixtrans-83.8-24.1-173.9-65.7177.6000115.2Y286 P287 S304 I305 L306 L344Y286-L289 HydrophobicContact CD1-CD1 4.14Å; Y286-L289 HydrophobicContact CD2-CD1 4.06Å; Y286-L289 HydrophobicContact CG-CD1 3.67Å; Y286-L289 HydrophobicContact CG-CG 4.25Å; Y286-L289 PolarHBondContact O-N 3.5Å; P287-L289 VanDerWaalsContact C-N 3.33Å; L289-S304 PolarHBondContact O-OG 2.97Å; L289-I305 HydrophobicContact CD2-CB 4.22Å; L289-I305 HydrophobicContact CD2-CD1 3.79Å; L289-I305 HydrophobicContact CD2-CG1 4.07Å; L289-I305 PolarHBondContact O-N 2.69Å; L289-L306 PolarHBondContact O-N 3.2Å; L289-L344 HydrophobicContact CD1-CD2 4.15Å; L289-L344 HydrophobicContact CD2-CD2 3.69Å; L289-L344 HydrophobicContact CG-CD2 4.4Å
290F44.9Very low41.8Very low21 Ų2183.7 Ų83.79%0.09248%0.483CS..Hα-helixtrans-127.110.4-162.1-82.4-81.6000116.8I282 Y283 Y286 V292 S304 L306I282-F290 HydrophobicContact CB-CD2 4.44Å; I282-F290 HydrophobicContact CB-CE2 3.73Å; I282-F290 HydrophobicContact CB-CZ 3.79Å; I282-F290 HydrophobicContact CD1-CD1 4.23Å; I282-F290 HydrophobicContact CD1-CE1 3.4Å; I282-F290 HydrophobicContact CD1-CE2 4.03Å; I282-F290 HydrophobicContact CD1-CZ 3.25Å; I282-F290 HydrophobicContact CG1-CE2 4.45Å; I282-F290 HydrophobicContact CG1-CZ 4.12Å; I282-F290 HydrophobicContact CG2-CZ 4.47Å; I282-F290 WeakPolarHBondContact O-CD2 3.32Å; Y283-F290 AromaticContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CD1 4Å; Y283-F290 HydrophobicContact CD1-CE1 4.35Å; Y283-F290 HydrophobicContact CD1-CG 4.35Å; Y283-F290 HydrophobicContact CE1-CD1 4.2Å; Y283-F290 HydrophobicContact CE1-CE1 4.21Å; Y286-F290 PolarHBondContact O-N 2.87Å; F290-V292 PolarHBondContact O-N 2.88Å; F290-V292 VanDerWaalsContact O-N 3.16Å; F290-S304 PolarHBondContact N-OG 3.09Å; F290-L306 HydrophobicContact CD1-CB 4.34Å; F290-L306 HydrophobicContact CD1-CD1 3.89Å; F290-L306 HydrophobicContact CD2-CD1 4.47Å; F290-L306 HydrophobicContact CE1-CB 4.26Å; F290-L306 HydrophobicContact CE1-CD1 3.1Å; F290-L306 HydrophobicContact CE1-CG 4.33Å; F290-L306 HydrophobicContact CE2-CD1 3.77Å; F290-L306 HydrophobicContact CZ-CD1 3.04Å; F290-L306 HydrophobicContact CZ-CG 4.4Å
291K39.2Very low41.2Very low97 Ų9784.2 Ų84.242%0.42248%0.481SS..  trans-88.196.6-170-163.2175-177.9-1730113.3P287 L299 S304P287-K291 WeakPolarHBondContact O-CB 3.26Å; K291-L299 PolarHBondContact NZ-O 3.27Å; K291-S304 PolarHBondContact N-OG 3.3Å
292V37Very low40.8Very low46 Ų4681.9 Ų81.928%0.27947%0.474SS..  trans-129.9108.9143.8174.90000108.9W252 F290 V381W252-V292 HydrophobicContact CE3-CG2 4.33Å; W252-V292 HydrophobicContact CH2-CG2 3.37Å; W252-V292 HydrophobicContact CZ2-CG2 4.26Å; W252-V292 HydrophobicContact CZ3-CG2 3.36Å; F290-V292 PolarHBondContact O-N 2.88Å; F290-V292 VanDerWaalsContact O-N 3.16Å; V292-V381 HydrophobicContact CB-CG2 4.28Å; V292-V381 HydrophobicContact CG1-CG2 3.34Å; V292-V381 HydrophobicContact CG2-CG1 3.78Å; V292-V381 HydrophobicContact CG2-CG2 3.9Å
293F33.3Very low40.5Very low163 Ų16386.9 Ų86.972%0.71550%0.501SS*.  trans-123.7136.7162.4-105.1-83.2000109.5
294S27Very low40.8Very low96 Ų9683.8 Ų83.867%0.67149%0.49SS*.  trans-54.7137166.6-172.20000111.7
295L29Very low41.7Very low166 Ų16680.1 Ų80.187%0.86947%0.465SS*.SBendtrans69.6109.7158.3-62.1162.5000119
296G31.2Very low43.1Very low89 Ų8975 Ų7592%0.91844%0.443SS*.SBendtrans93.683.3144.800000116.8
297G29.7Very low44.5Very low70 Ų7072.4 Ų72.472%0.72243%0.433SS*.  trans134.1101.9161.500000113.2L299G297-L299 PolarHBondContact O-N 3.37Å; G297-L299 VanDerWaalsContact O-N 3.14Å
298A42.8Very low46.2Very low88 Ų8870 Ų7073%0.72742%0.415SS*.  trans-47.6111.7-179.900000113
299L34.2Very low48Very low140 Ų14069 Ų6973%0.73341%0.405SS*.  trans-173.476.3158.6-101.1148.7000106.6K291 G297 S301K291-L299 PolarHBondContact NZ-O 3.27Å; G297-L299 PolarHBondContact O-N 3.37Å; G297-L299 VanDerWaalsContact O-N 3.14Å; L299-S301 PolarHBondContact O-N 3.07Å
300F38.9Very low49.7Very low114 Ų11470.9 Ų70.950%0.542%0.415SS..  trans-80110.2170.3-62.7-83.7000107.1
301S39.8Very low51.6Low47 Ų4770.3 Ų70.333%0.32942%0.415SS..  trans-80.2119.1166.1179.40000106.4L299 D303L299-S301 PolarHBondContact O-N 3.07Å; S301-D303 PolarHBondContact O-N 3.04Å
302F44.8Very low53.7Low83 Ų8368.7 Ų68.736%0.36441%0.411SS..THydrogen-bonded Turntrans-72.2-5.7-178.5-80.5-92.8000113.2V248 S304 M385V248-F302 HydrophobicContact CB-CD1 4.21Å; V248-F302 HydrophobicContact CG1-CB 4.28Å; V248-F302 HydrophobicContact CG1-CD1 3.84Å; V248-F302 VanDerWaalsContact CG1-O 3.22Å; V248-F302 WeakPolarHBondContact CG1-O 3.01Å; F302-S304 VanDerWaalsContact C-N 3.28Å; F302-S304 PolarHBondContact O-N 3.36Å; F302-M385 HydrophobicContact CD1-CE 4.05Å; F302-M385 HydrophobicContact CE1-CE 4.1Å
303D45.6Very low56Low110 Ų11071.9 Ų71.959%0.58843%0.427SS*.THydrogen-bonded Turntrans-88.212.9-172.7-58.2-32.4000113.5S288 S301 I305S288-D303 CarbonylContact O-C 2.94Å; S301-D303 PolarHBondContact O-N 3.04Å; D303-I305 PolarHBondContact O-N 3.18Å
304S58.5Low58.5Low4 Ų469.5 Ų69.53%0.02842%0.421CS..  trans-77.3111.4-179.1-87.60000111.9S288 L289 F290 K291 F302S288-S304 WeakPolarHBondContact O-CA 3.15Å; S288-S304 WeakPolarHBondContact O-CB 3.36Å; S288-S304 PolarHBondContact O-N 3.43Å; S288-S304 PolarHBondContact O-OG 3.4Å; L289-S304 PolarHBondContact O-OG 2.97Å; F290-S304 PolarHBondContact N-OG 3.09Å; K291-S304 PolarHBondContact N-OG 3.3Å; F302-S304 VanDerWaalsContact C-N 3.28Å; F302-S304 PolarHBondContact O-N 3.36Å
305I66.7Low61.3Low35 Ų3565 Ų6518%0.17939%0.39CS..  trans-87.5-17.9179.8-59.9174.5000110.9K251 L289 D303 D340 E343 L344 T347K251-I305 WeakPolarHBondContact CE-O 3.45Å; K251-I305 VanDerWaalsContact NZ-CG2 3.28Å; K251-I305 PolarHBondContact NZ-O 3.31Å; L289-I305 HydrophobicContact CD2-CB 4.22Å; L289-I305 HydrophobicContact CD2-CD1 3.79Å; L289-I305 HydrophobicContact CD2-CG1 4.07Å; L289-I305 PolarHBondContact O-N 2.69Å; D303-I305 PolarHBondContact O-N 3.18Å; I305-D340 WeakPolarHBondContact O-CB 3.39Å; I305-E343 HydrophobicContact CG2-CB 4.3Å; I305-E343 HydrophobicContact CG2-CG 4.05Å; I305-L344 HydrophobicContact CB-CD2 3.68Å; I305-L344 HydrophobicContact CB-CG 4.37Å; I305-L344 HydrophobicContact CD1-CD2 4.05Å; I305-L344 HydrophobicContact CG1-CD2 4.43Å; I305-L344 HydrophobicContact CG2-CD2 3.61Å; I305-L344 HydrophobicContact CG2-CG 3.94Å; I305-T347 HydrophobicContact CD1-CG2 3.95Å
306L72.2Confident63.9Low3 Ų360.4 Ų60.42%0.01636%0.361CS..  trans-113128.5-179.2-67-179.7000113.8L289 F290 V336 D340 I341 L344L289-L306 PolarHBondContact O-N 3.2Å; F290-L306 HydrophobicContact CD1-CB 4.34Å; F290-L306 HydrophobicContact CD1-CD1 3.89Å; F290-L306 HydrophobicContact CD2-CD1 4.47Å; F290-L306 HydrophobicContact CE1-CB 4.26Å; F290-L306 HydrophobicContact CE1-CD1 3.1Å; F290-L306 HydrophobicContact CE1-CG 4.33Å; F290-L306 HydrophobicContact CE2-CD1 3.77Å; F290-L306 HydrophobicContact CZ-CD1 3.04Å; F290-L306 HydrophobicContact CZ-CG 4.4Å; L306-V336 HydrophobicContact CD2-CG1 4.23Å; L306-D340 HydrophobicContact CD2-CB 3.34Å; L306-D340 VanDerWaalsContact CD2-O 3.24Å; L306-D340 WeakPolarHBondContact CD2-O 3.42Å; L306-D340 HydrophobicContact CG-CB 4.48Å; L306-I341 HydrophobicContact CD2-CG1 4.26Å; L306-L344 HydrophobicContact CD1-CD1 3.17Å; L306-L344 HydrophobicContact CD1-CG 4.15Å; L306-L344 HydrophobicContact CD2-CB 4.49Å; L306-L344 HydrophobicContact CD2-CD1 3.51Å; L306-L344 HydrophobicContact CD2-CG 3.64Å; L306-L344 HydrophobicContact CG-CD1 3.3Å; L306-L344 HydrophobicContact CG-CD2 4.44Å; L306-L344 HydrophobicContact CG-CG 3.72Å
307F79.8Confident66.4Low4 Ų460.1 Ų60.12%0.01834%0.335CS..  trans-82.9129.9161.4175.8-91.5000110.9W252 R256 D340 V374 M378W252-F307 AromaticContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CE3-CD2 3.85Å; W252-F307 HydrophobicContact CH2-CB 4.38Å; W252-F307 HydrophobicContact CH2-CD2 4.39Å; W252-F307 HydrophobicContact CZ3-CB 4.1Å; W252-F307 AromaticContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CD2 3.41Å; W252-F307 VanDerWaalsContact CZ3-CD2 3.41Å; W252-F307 HydrophobicContact CZ3-CE2 4.29Å; W252-F307 HydrophobicContact CZ3-CG 4.21Å; R256-F307 VanDerWaalsContact NH2-CB 3.32Å; F307-D340 WeakPolarHBondContact CB-OD2 3.34Å; F307-D340 PolarHBondContact N-OD2 3.21Å; F307-V374 HydrophobicContact CE1-CG1 3.58Å; F307-V374 HydrophobicContact CZ-CG1 3.96Å; F307-M378 HydrophobicContact CB-CE 3.78Å; F307-M378 HydrophobicContact CD1-CE 3.75Å; F307-M378 HydrophobicContact CD2-CB 4.22Å; F307-M378 HydrophobicContact CD2-CE 3.24Å; F307-M378 HydrophobicContact CD2-CG 4.17Å; F307-M378 HydrophobicContact CE1-CE 4.15Å; F307-M378 HydrophobicContact CE2-CB 3.59Å; F307-M378 HydrophobicContact CE2-CE 3.76Å; F307-M378 HydrophobicContact CE2-CG 4.04Å; F307-M378 HydrophobicContact CG-CE 3.29Å; F307-M378 HydrophobicContact CZ-CB 3.98Å; F307-M378 HydrophobicContact CZ-CE 4.17Å
308Q80.7Confident69.1Low29 Ų2959.4 Ų59.414%0.13631%0.311CS..EExtended strand (participates in β ladder)trans-122.7124.8174.4-179.9175.450.900110.6Y283 F334 L335Y283-Q308 PolarHBondContact OH-NE2 3.26Å; Q308-F334 HydrophobicContact CG-CD1 4.14Å; Q308-L335 WeakPolarHBondContact CA-O 3.36Å
309Y84.2Confident71.2Confident19 Ų1955.6 Ų55.68%0.07528%0.279CS..EExtended strand (participates in β ladder)trans-99.5133.5170175.7-100.9000110.7D315 F334 L335 K373 V374 A377Y309-D315 VanDerWaalsContact CE1-OD2 3.26Å; Y309-D315 WeakPolarHBondContact CE1-OD2 3.35Å; Y309-D315 PolarHBondContact OH-OD2 2.87Å; Y309-F334 WeakPolarHBondContact O-CA 3.24Å; Y309-L335 HydrophobicContact CD1-CB 4.3Å; Y309-L335 HydrophobicContact CD1-CD1 3.84Å; Y309-L335 HydrophobicContact CD1-CG 4.21Å; Y309-L335 HydrophobicContact CE1-CD1 4.32Å; Y309-L335 PolarHBondContact N-O 3.48Å; Y309-L335 PolarHBondContact O-N 3.26Å; Y309-K373 HydrophobicContact CE2-CB 4.39Å; Y309-K373 WeakPolarHBondContact OH-CB 3.49Å; Y309-V374 HydrophobicContact CD1-CG2 3.75Å; Y309-V374 HydrophobicContact CD2-CB 4.34Å; Y309-V374 HydrophobicContact CD2-CG2 3.83Å; Y309-V374 HydrophobicContact CE1-CG2 3.95Å; Y309-V374 HydrophobicContact CE2-CG2 4.06Å; Y309-V374 HydrophobicContact CG-CG2 3.66Å; Y309-A377 HydrophobicContact CD2-CB 3.89Å; Y309-A377 HydrophobicContact CE2-CB 4.09Å
310I84.5Confident73.5Confident64 Ų6451.9 Ų51.933%0.32826%0.259SS..EExtended strand (participates in β ladder)trans-97.5111.2174.3-55.2176.8000107.1K332 V333 F334I310-K332 HydrophobicContact CG2-CB 4.44Å; I310-K332 HydrophobicContact CG2-CD 4.2Å; I310-V333 WeakPolarHBondContact CA-O 3.37Å; I310-F334 HydrophobicContact CD1-CE1 4.3Å; I310-F334 HydrophobicContact CG1-CD1 4.03Å; I310-F334 HydrophobicContact CG1-CE1 3.93Å; I310-F334 HydrophobicContact CG2-CE1 4.47Å
311G83.7Confident75.6Confident10 Ų1051.1 Ų51.110%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-69.9143.5-179.800000112.7D315 V333G311-D315 WeakPolarHBondContact CA-OD2 3.48Å; G311-V333 PolarHBondContact N-O 3.04Å
312D85Confident77.4Confident63 Ų6354 Ų5434%0.33727%0.268SS..  trans-79.2-168172.46824.8000111.8D314 D315 R316 K373D312-D314 WeakPolarHBondContact OD1-CA 3.44Å; D312-D314 PolarHBondContact OD1-N 3.07Å; D312-D315 PolarHBondContact N-OD2 3.03Å; D312-D315 WeakPolarHBondContact OD1-CB 3.47Å; D312-D315 PolarHBondContact OD1-N 2.66Å; D312-R316 WeakPolarHBondContact O-CB 3.32Å; D312-R316 PolarHBondContact O-N 2.83Å; D312-K373 IonicContact OD1-NZ 2.72Å; D312-K373 PolarHBondContact OD1-NZ 3.36Å; D312-K373 IonicContact OD2-NZ 2.73Å; D312-K373 PolarHBondContact OD2-NZ 3.13Å
313N84Confident78.3Confident113 Ų11359 Ų5960%0.60429%0.29SS*.Hα-helixtrans-72.9-33.2179.9-152.6-39.3000112.2R316 Q317N313-R316 WeakPolarHBondContact O-CB 3.33Å; N313-R316 PolarHBondContact O-N 2.96Å; N313-Q317 PolarHBondContact O-N 3.26Å
314D85.3Confident79.2Confident113 Ų11356.6 Ų56.660%0.60428%0.276SS*.Hα-helixtrans-74.4-42.4-178.2-57.8-33.1000110.3D312 R316 Q317 W318D312-D314 WeakPolarHBondContact OD1-CA 3.44Å; D312-D314 PolarHBondContact OD1-N 3.07Å; D314-R316 PolarHBondContact O-N 3.33Å; D314-Q317 PolarHBondContact O-N 3.27Å; D314-Q317 VanDerWaalsContact O-N 3.08Å; D314-W318 PolarHBondContact O-N 3.5Å
315D86.6Confident79.3Confident2 Ų258.8 Ų58.81%0.01129%0.286CS..Hα-helixtrans-60-38.8173.1-53.9-25.7000110.4Y309 G311 D312 L319 I370 K373Y309-D315 VanDerWaalsContact CE1-OD2 3.26Å; Y309-D315 WeakPolarHBondContact CE1-OD2 3.35Å; Y309-D315 PolarHBondContact OH-OD2 2.87Å; G311-D315 WeakPolarHBondContact CA-OD2 3.48Å; D312-D315 PolarHBondContact N-OD2 3.03Å; D312-D315 WeakPolarHBondContact OD1-CB 3.47Å; D312-D315 PolarHBondContact OD1-N 2.66Å; D315-L319 WeakPolarHBondContact O-CG 3.07Å; D315-L319 PolarHBondContact O-N 3.32Å; D315-L319 VanDerWaalsContact O-N 3.07Å; D315-I370 HydrophobicContact CB-CD1 4.38Å; D315-K373 WeakPolarHBondContact OD1-CD 3.38Å; D315-K373 IonicContact OD1-NZ 3.49Å; D315-K373 PolarHBondContact OD1-NZ 3.43Å
316R84.1Confident78.7Confident68 Ų6867.9 Ų67.926%0.25732%0.318SS..Hα-helixtrans-64.8-43.5174.4178.8-178.6175.4-83.4-8.5111.4D312 N313 D314 L319 I320 V333D312-R316 WeakPolarHBondContact O-CB 3.32Å; D312-R316 PolarHBondContact O-N 2.83Å; N313-R316 WeakPolarHBondContact O-CB 3.33Å; N313-R316 PolarHBondContact O-N 2.96Å; D314-R316 PolarHBondContact O-N 3.33Å; R316-L319 PolarHBondContact O-N 3.32Å; R316-I320 HydrophobicContact CG-CD1 4.16Å; R316-I320 WeakPolarHBondContact O-CG1 3.44Å; R316-I320 PolarHBondContact O-N 3.42Å; R316-I320 VanDerWaalsContact O-N 3.13Å; R316-V333 HydrophobicContact CB-CG2 3.68Å; R316-V333 HydrophobicContact CG-CG2 3.81Å
317Q84Confident78.2Confident83 Ų8370.3 Ų70.339%0.38833%0.33SS..Hα-helixtrans-64.2-44.4178.9-170.957.445.900110.6N313 D314 L319 I320 D321N313-Q317 PolarHBondContact O-N 3.26Å; D314-Q317 PolarHBondContact O-N 3.27Å; D314-Q317 VanDerWaalsContact O-N 3.08Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.1Å; Q317-I320 WeakPolarHBondContact O-CB 3.12Å; Q317-I320 PolarHBondContact O-N 2.96Å; Q317-I320 VanDerWaalsContact O-N 3.07Å; Q317-D321 PolarHBondContact NE2-OD1 3.42Å; Q317-D321 PolarHBondContact O-N 3.14Å
318W86.1Confident77.1Confident56 Ų5678.8 Ų78.821%0.21237%0.366CS..Hα-helixtrans-57.5-43.6174.9179.986.4000112.5D314 I320 D321 Q322 F364 L366 P367 I370D314-W318 PolarHBondContact O-N 3.5Å; W318-I320 VanDerWaalsContact C-N 3.3Å; W318-I320 PolarHBondContact O-N 3.42Å; W318-D321 PolarHBondContact O-N 3.35Å; W318-D321 VanDerWaalsContact O-N 3.16Å; W318-Q322 HydrophobicContact CD2-CG 3.82Å; W318-Q322 HydrophobicContact CE3-CG 4.17Å; W318-Q322 HydrophobicContact CG-CG 4.48Å; W318-Q322 HydrophobicContact CH2-CG 3.75Å; W318-Q322 HydrophobicContact CZ2-CG 3.34Å; W318-Q322 HydrophobicContact CZ3-CG 4.15Å; W318-Q322 WeakPolarHBondContact O-CG 3.21Å; W318-Q322 PolarHBondContact O-N 2.87Å; W318-F364 HydrophobicContact CZ3-CE2 4.22Å; W318-L366 HydrophobicContact CZ3-CD2 4.26Å; W318-P367 HydrophobicContact CD2-CG 4.1Å; W318-P367 HydrophobicContact CH2-CG 4.3Å; W318-P367 HydrophobicContact CZ2-CB 4.35Å; W318-P367 HydrophobicContact CZ2-CG 3.72Å; W318-I370 HydrophobicContact CB-CD1 3.96Å; W318-I370 HydrophobicContact CD2-CD1 3.58Å; W318-I370 HydrophobicContact CE3-CD1 3.5Å; W318-I370 VanDerWaalsContact CE3-CD1 3.5Å; W318-I370 HydrophobicContact CG-CD1 3.77Å; W318-I370 HydrophobicContact CZ3-CD1 4.25Å
319L86Confident76Confident8 Ų882.9 Ų82.94%0.04239%0.389CS..Hα-helixtrans-64-33.2176.6-76.4168.8000113.5L265 D315 R316 Q317 L324 M327 V333 L335 F364L265-L319 HydrophobicContact CD2-CD1 4.39Å; L265-L319 HydrophobicContact CD2-CD2 4.45Å; D315-L319 WeakPolarHBondContact O-CG 3.07Å; D315-L319 PolarHBondContact O-N 3.32Å; D315-L319 VanDerWaalsContact O-N 3.07Å; R316-L319 PolarHBondContact O-N 3.32Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.1Å; L319-L324 HydrophobicContact CD2-CD2 4.48Å; L319-M327 HydrophobicContact CD1-CE 4.3Å; L319-V333 HydrophobicContact CD1-CB 4.35Å; L319-V333 HydrophobicContact CD1-CG1 3.28Å; L319-V333 HydrophobicContact CD1-CG2 4.24Å; L319-L335 HydrophobicContact CD1-CD2 4.31Å; L319-F364 HydrophobicContact CD2-CE2 3.9Å; L319-F364 HydrophobicContact CD2-CZ 3.94Å
320I82.7Confident75Confident61 Ų6185.8 Ų85.831%0.31343%0.425SS..Hα-helixtrans-68.3-43.7173.7-68.2165.7000109.5R316 Q317 W318 K323R316-I320 HydrophobicContact CG-CD1 4.16Å; R316-I320 WeakPolarHBondContact O-CG1 3.44Å; R316-I320 PolarHBondContact O-N 3.42Å; R316-I320 VanDerWaalsContact O-N 3.13Å; Q317-I320 WeakPolarHBondContact O-CB 3.12Å; Q317-I320 PolarHBondContact O-N 2.96Å; Q317-I320 VanDerWaalsContact O-N 3.07Å; W318-I320 VanDerWaalsContact C-N 3.3Å; W318-I320 PolarHBondContact O-N 3.42Å; I320-K323 WeakPolarHBondContact O-CA 3.46Å; I320-K323 PolarHBondContact O-N 3.39Å; I320-K323 VanDerWaalsContact O-N 3.07Å
321D83.2Confident74.3Confident99 Ų9984.8 Ų84.853%0.52943%0.43SS..Hα-helixtrans-69.6-37.2-176.1-65.6-14.6000112.6Q317 W318 K323Q317-D321 PolarHBondContact NE2-OD1 3.42Å; Q317-D321 PolarHBondContact O-N 3.14Å; W318-D321 PolarHBondContact O-N 3.35Å; W318-D321 VanDerWaalsContact O-N 3.16Å; D321-K323 PolarHBondContact O-N 3.37Å
322Q77.4Confident74Confident106 Ų10691.4 Ų91.450%0.49546%0.456SS..THydrogen-bonded Turntrans-63.5-5.1171.6-69.6-58.4-43.800113.3W318 L324W318-Q322 HydrophobicContact CD2-CG 3.82Å; W318-Q322 HydrophobicContact CE3-CG 4.17Å; W318-Q322 HydrophobicContact CG-CG 4.48Å; W318-Q322 HydrophobicContact CH2-CG 3.75Å; W318-Q322 HydrophobicContact CZ2-CG 3.34Å; W318-Q322 HydrophobicContact CZ3-CG 4.15Å; W318-Q322 WeakPolarHBondContact O-CG 3.21Å; W318-Q322 PolarHBondContact O-N 2.87Å; Q322-L324 HydrophobicContact CB-CB 4.14Å; Q322-L324 PolarHBondContact O-N 3.39Å
323K63.5Low73.8Confident189 Ų18988.5 Ų88.582%0.82244%0.441SS*.THydrogen-bonded Turntrans53.414.1-173.2-60.6178.3-178.3173.40113.2I320 D321 K325I320-K323 WeakPolarHBondContact O-CA 3.46Å; I320-K323 PolarHBondContact O-N 3.39Å; I320-K323 VanDerWaalsContact O-N 3.07Å; D321-K323 PolarHBondContact O-N 3.37Å; K323-K325 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact O-N 3.13Å
324L64.2Low73.9Confident59 Ų5985.8 Ų85.831%0.30942%0.424SS..  trans-66.5-25-167.1-166.570.9000111.4L319 Q322 F364L319-L324 HydrophobicContact CD2-CD2 4.48Å; Q322-L324 HydrophobicContact CB-CB 4.14Å; Q322-L324 PolarHBondContact O-N 3.39Å; L324-F364 HydrophobicContact CD2-CB 3.75Å; L324-F364 HydrophobicContact CD2-CD1 3.42Å; L324-F364 VanDerWaalsContact CD2-CD1 3.42Å; L324-F364 HydrophobicContact CD2-CD2 3.65Å; L324-F364 HydrophobicContact CD2-CE1 3.8Å; L324-F364 HydrophobicContact CD2-CE2 4Å; L324-F364 HydrophobicContact CD2-CG 3.32Å; L324-F364 HydrophobicContact CD2-CZ 4.06Å
325K61.7Low74Confident51 Ų5180.5 Ų80.522%0.22240%0.396CS..  trans-156141.9167.6-91.9117.4-153-172.30111.3L265 K323 M327 E362L265-K325 HydrophobicContact CD1-CB 4.19Å; L265-K325 HydrophobicContact CD1-CD 3.35Å; L265-K325 HydrophobicContact CD1-CG 4.12Å; L265-K325 HydrophobicContact CG-CD 4.01Å; K323-K325 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact O-N 3.13Å; K325-M327 PolarHBondContact O-N 3.02Å; K325-E362 WeakPolarHBondContact CE-OE2 3.28Å; K325-E362 IonicContact NZ-OE2 3.48Å; K325-E362 PolarHBondContact NZ-OE2 3.02Å
326R54.6Low74.1Confident226 Ų22680.6 Ų80.685%0.85340%0.396SS*.  trans-65.584.1160.2-60.8-177.9-171.6-176.33.8107.4K328R326-K328 HydrophobicContact CB-CG 4.4Å; R326-K328 PolarHBondContact O-N 3.44Å
327M60.7Low74.4Confident54 Ų5477.3 Ų77.327%0.26638%0.384SS..  trans-63.488.4165.1-82.1-157.517500107.7L265 L319 K325 N329 V333L265-M327 HydrophobicContact CD1-CE 4.09Å; L319-M327 HydrophobicContact CD1-CE 4.3Å; K325-M327 PolarHBondContact O-N 3.02Å; M327-N329 PolarHBondContact O-N 3.11Å; M327-V333 HydrophobicContact CE-CB 4.19Å; M327-V333 HydrophobicContact CE-CG1 3.89Å; M327-V333 HydrophobicContact CE-CG2 3.67Å; M327-V333 HydrophobicContact SD-CG2 3.84Å
328K57.9Low74.7Confident182 Ų18274.4 Ų74.479%0.79137%0.371SS*.  trans-63.4-19.2-179-69177.9-176.7176.50111.9R326R326-K328 HydrophobicContact CB-CG 4.4Å; R326-K328 PolarHBondContact O-N 3.44Å
329N57.4Low74.8Confident114 Ų11476.5 Ų76.561%0.6138%0.383SS*.SBendtrans-124.9125.8-166.8-58.436.7000109.6M327 G331M327-N329 PolarHBondContact O-N 3.11Å; N329-G331 PolarHBondContact O-N 3.14Å
330G61.8Low74.8Confident81 Ų8176.1 Ų76.184%0.83538%0.381SS*.  trans-72.157177.900000114.2
331G70.7Confident74.9Confident42 Ų4273.2 Ų73.243%0.43337%0.366SS..  trans-105.3178.4177.200000113.5N329N329-G331 PolarHBondContact O-N 3.14Å
332K76.8Confident75.1Confident149 Ų14972.5 Ų72.565%0.64836%0.361SS*.  trans-62.9143.9170.5-63-175.8179.4-172.90110.3I310 F334I310-K332 HydrophobicContact CG2-CB 4.44Å; I310-K332 HydrophobicContact CG2-CD 4.2Å; K332-F334 HydrophobicContact CB-CE2 4.03Å; K332-F334 HydrophobicContact CB-CZ 3.98Å
333V82.1Confident75.4Confident2 Ų271.7 Ų71.71%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-86.8135.6173.5178.70000108.6I310 G311 R316 L319 M327 L335I310-V333 WeakPolarHBondContact CA-O 3.37Å; G311-V333 PolarHBondContact N-O 3.04Å; R316-V333 HydrophobicContact CB-CG2 3.68Å; R316-V333 HydrophobicContact CG-CG2 3.81Å; L319-V333 HydrophobicContact CD1-CB 4.35Å; L319-V333 HydrophobicContact CD1-CG1 3.28Å; L319-V333 HydrophobicContact CD1-CG2 4.24Å; M327-V333 HydrophobicContact CE-CB 4.19Å; M327-V333 HydrophobicContact CE-CG1 3.89Å; M327-V333 HydrophobicContact CE-CG2 3.67Å; M327-V333 HydrophobicContact SD-CG2 3.84Å; V333-L335 HydrophobicContact CG1-CD2 4.06Å; V333-L335 HydrophobicContact CG1-CG 4.29Å
334F85.1Confident76.2Confident56 Ų5662.9 Ų62.925%0.24632%0.319CS..EExtended strand (participates in β ladder)trans-122124.8173.7-61.6-78.4000108.9G266 Q308 Y309 I310 K332G266-F334 PolarHBondContact N-O 3.17Å; Q308-F334 HydrophobicContact CG-CD1 4.14Å; Y309-F334 WeakPolarHBondContact O-CA 3.24Å; I310-F334 HydrophobicContact CD1-CE1 4.3Å; I310-F334 HydrophobicContact CG1-CD1 4.03Å; I310-F334 HydrophobicContact CG1-CE1 3.93Å; I310-F334 HydrophobicContact CG2-CE1 4.47Å; K332-F334 HydrophobicContact CB-CE2 4.03Å; K332-F334 HydrophobicContact CB-CZ 3.98Å
335L88.4Confident76.9Confident3 Ų360.8 Ų60.82%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-110.4138.5174.7-57.3-176.8000109F263 L265 Q308 Y309 L319 V333 F364 L366F263-L335 HydrophobicContact CD1-CB 4.48Å; L265-L335 HydrophobicContact CD2-CD2 3.62Å; Q308-L335 WeakPolarHBondContact CA-O 3.36Å; Y309-L335 HydrophobicContact CD1-CB 4.3Å; Y309-L335 HydrophobicContact CD1-CD1 3.84Å; Y309-L335 HydrophobicContact CD1-CG 4.21Å; Y309-L335 HydrophobicContact CE1-CD1 4.32Å; Y309-L335 PolarHBondContact N-O 3.48Å; Y309-L335 PolarHBondContact O-N 3.26Å; L319-L335 HydrophobicContact CD1-CD2 4.31Å; V333-L335 HydrophobicContact CG1-CD2 4.06Å; V333-L335 HydrophobicContact CG1-CG 4.29Å; L335-F364 HydrophobicContact CD2-CZ 3.78Å; L335-L366 HydrophobicContact CD1-CD1 4.12Å; L335-L366 HydrophobicContact CD1-CD2 3.94Å
336V88.7Confident77.8Confident3 Ų362.5 Ų62.52%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-131.7141-179.7-174.60000108.2F263 V264 L306 I341F263-V336 CarbonylContact C-O 3.59Å; F263-V336 WeakPolarHBondContact CA-O 3.26Å; V264-V336 PolarHBondContact N-O 2.95Å; V264-V336 PolarHBondContact O-N 3.12Å; L306-V336 HydrophobicContact CD2-CG1 4.23Å; V336-I341 HydrophobicContact CB-CD1 4.18Å; V336-I341 HydrophobicContact CG1-CD1 3.85Å; V336-I341 HydrophobicContact CG1-CG1 3.75Å
337L90.5Very high78.9Confident0 Ų052.7 Ų52.70%029%0.294CS..EExtended strand (participates in β ladder)trans-70.5134176.4-169.868.6000110.1L257 F263 E339 D340 I341L257-L337 HydrophobicContact CD2-CD1 4.01Å; L257-L337 HydrophobicContact CD2-CD2 4.41Å; F263-L337 HydrophobicContact CD1-CD1 4.43Å; F263-L337 HydrophobicContact CE1-CD1 4.03Å; F263-L337 HydrophobicContact CE2-CD1 4.3Å; F263-L337 HydrophobicContact CZ-CD1 3.97Å; L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 HydrophobicContact CD2-CB 3.99Å; L337-E339 HydrophobicContact CD2-CG 4.47Å; L337-E339 HydrophobicContact CG-CB 4.1Å; L337-E339 HydrophobicContact CG-CG 4.46Å; L337-E339 PolarHBondContact O-N 2.96Å; L337-D340 HydrophobicContact CB-CB 4.3Å; L337-D340 PolarHBondContact O-N 2.95Å; L337-I341 PolarHBondContact O-N 3.46Å
338L89.5Confident79.2Confident22 Ų2254 Ų5412%0.11531%0.307CS..Hα-helixtrans-61.6-43.1178.7179.770.3000111.7E262 V264 D340 I341 I342 L361 P363E262-L338 HydrophobicContact CB-CB 4.1Å; E262-L338 HydrophobicContact CB-CD2 4.07Å; E262-L338 WeakPolarHBondContact O-CB 3.49Å; E262-L338 PolarHBondContact O-N 3.28Å; E262-L338 VanDerWaalsContact OE2-CD2 3.23Å; E262-L338 WeakPolarHBondContact OE2-CD2 3.43Å; V264-L338 HydrophobicContact CG2-CB 4.38Å; V264-L338 HydrophobicContact CG2-CD1 3.79Å; L338-D340 VanDerWaalsContact C-N 3.26Å; L338-D340 PolarHBondContact O-N 3.02Å; L338-I341 WeakPolarHBondContact O-CB 2.92Å; L338-I341 PolarHBondContact O-N 3.33Å; L338-I342 HydrophobicContact CD1-CD1 4.48Å; L338-I342 HydrophobicContact CD2-CD1 4.23Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 HydrophobicContact CG-CG1 4.39Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 2.96Å; L338-L361 HydrophobicContact CD1-CD1 3.99Å; L338-P363 HydrophobicContact CD2-CB 3.93Å; L338-P363 HydrophobicContact CD2-CG 4.27Å
339E88.9Confident79.7Confident99 Ų9950.5 Ų50.546%0.46329%0.293SS..Hα-helixtrans-54.5-44.5-179.9-63.9173.8-169.300111.6L337 I341 I342 E343L337-E339 VanDerWaalsContact C-N 3.33Å; L337-E339 HydrophobicContact CD2-CB 3.99Å; L337-E339 HydrophobicContact CD2-CG 4.47Å; L337-E339 HydrophobicContact CG-CB 4.1Å; L337-E339 HydrophobicContact CG-CG 4.46Å; L337-E339 PolarHBondContact O-N 2.96Å; E339-I341 VanDerWaalsContact C-N 3.31Å; E339-I341 PolarHBondContact O-N 3.27Å; E339-I342 PolarHBondContact O-N 2.82Å; E339-E343 PolarHBondContact O-N 3.5Å
340D86.3Confident80Confident1 Ų145.2 Ų45.21%0.00527%0.265CS..Hα-helixtrans-65.7-35179.4-68.7-14.2000111.2K251 R256 I305 L306 F307 L337 L338 E343 L344K251-D340 WeakPolarHBondContact CE-OD1 3.3Å; K251-D340 IonicContact NZ-OD1 3.06Å; R256-D340 IonicContact CZ-OD1 3.31Å; R256-D340 IonicContact CZ-OD2 2.74Å; R256-D340 IonicContact NH1-OD1 2.8Å; R256-D340 PolarHBondContact NH1-OD1 3.42Å; R256-D340 IonicContact NH1-OD2 2.66Å; R256-D340 IonicContact NH2-OD1 2.76Å; R256-D340 PolarHBondContact NH2-OD1 3.16Å; R256-D340 IonicContact NH2-OD2 3.72Å; R256-D340 PolarHBondContact NH2-OD2 2.95Å; I305-D340 WeakPolarHBondContact O-CB 3.39Å; L306-D340 HydrophobicContact CD2-CB 3.34Å; L306-D340 VanDerWaalsContact CD2-O 3.24Å; L306-D340 WeakPolarHBondContact CD2-O 3.42Å; L306-D340 HydrophobicContact CG-CB 4.48Å; F307-D340 WeakPolarHBondContact CB-OD2 3.34Å; F307-D340 PolarHBondContact N-OD2 3.21Å; L337-D340 HydrophobicContact CB-CB 4.3Å; L337-D340 PolarHBondContact O-N 2.95Å; L338-D340 VanDerWaalsContact C-N 3.26Å; L338-D340 PolarHBondContact O-N 3.02Å; D340-E343 PolarHBondContact O-N 3.12Å; D340-L344 WeakPolarHBondContact O-CB 3.48Å; D340-L344 PolarHBondContact O-N 3.01Å
341I84.9Confident80Confident0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-68.2-40.5176.3-62.1168.2000111.1V264 A269 L273 L306 V336 L337 L338 E339 E343 L344 A345 L358 L361V264-I341 HydrophobicContact CB-CD1 4.07Å; V264-I341 HydrophobicContact CG2-CD1 4.33Å; A269-I341 HydrophobicContact CB-CD1 3.63Å; A269-I341 HydrophobicContact CB-CG1 4.34Å; L273-I341 HydrophobicContact CD2-CG2 4.3Å; L273-I341 HydrophobicContact CG-CG2 4.46Å; L306-I341 HydrophobicContact CD2-CG1 4.26Å; V336-I341 HydrophobicContact CB-CD1 4.18Å; V336-I341 HydrophobicContact CG1-CD1 3.85Å; V336-I341 HydrophobicContact CG1-CG1 3.75Å; L337-I341 PolarHBondContact O-N 3.46Å; L338-I341 WeakPolarHBondContact O-CB 2.92Å; L338-I341 PolarHBondContact O-N 3.33Å; E339-I341 VanDerWaalsContact C-N 3.31Å; E339-I341 PolarHBondContact O-N 3.27Å; I341-E343 VanDerWaalsContact C-N 3.35Å; I341-L344 WeakPolarHBondContact O-CB 3.49Å; I341-L344 PolarHBondContact O-N 3.21Å; I341-A345 WeakPolarHBondContact O-CB 3.24Å; I341-A345 PolarHBondContact O-N 3.44Å; I341-L358 HydrophobicContact CG2-CD2 4.34Å; I341-L361 HydrophobicContact CG2-CD1 4.03Å
342I86.5Confident79.9Confident83 Ų8355.6 Ų55.643%0.42628%0.276SS..Hα-helixtrans-64.6-43176.8-65.9168.9000110.2L338 E339 L344 A345 S346L338-I342 HydrophobicContact CD1-CD1 4.48Å; L338-I342 HydrophobicContact CD2-CD1 4.23Å; L338-I342 HydrophobicContact CG-CD1 3.92Å; L338-I342 HydrophobicContact CG-CG1 4.39Å; L338-I342 WeakPolarHBondContact O-CG1 3.45Å; L338-I342 PolarHBondContact O-N 2.96Å; E339-I342 PolarHBondContact O-N 2.82Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 3.03Å; I342-A345 PolarHBondContact O-N 3.39Å; I342-S346 PolarHBondContact O-N 3.16Å; I342-S346 VanDerWaalsContact O-N 3.09Å; I342-S346 PolarHBondContact O-OG 3.35Å
343E83.7Confident79.6Confident90 Ų9051.4 Ų51.442%0.42126%0.261SS..Hα-helixtrans-61.1-44.1174.9-169.9-175.1150.500110.9K251 I305 E339 D340 I341 A345 S346 T347K251-E343 IonicContact NZ-OE1 3.73Å; K251-E343 PolarHBondContact NZ-OE1 2.8Å; K251-E343 IonicContact NZ-OE2 3.76Å; K251-E343 PolarHBondContact NZ-OE2 3.23Å; I305-E343 HydrophobicContact CG2-CB 4.3Å; I305-E343 HydrophobicContact CG2-CG 4.05Å; E339-E343 PolarHBondContact O-N 3.5Å; D340-E343 PolarHBondContact O-N 3.12Å; I341-E343 VanDerWaalsContact C-N 3.35Å; E343-A345 PolarHBondContact O-N 3.25Å; E343-S346 WeakPolarHBondContact O-CB 3.19Å; E343-S346 PolarHBondContact O-N 3.31Å; E343-S346 VanDerWaalsContact O-N 3.12Å; E343-T347 WeakPolarHBondContact O-CG2 3.44Å; E343-T347 PolarHBondContact O-N 2.78Å
344L80.2Confident78.9Confident3 Ų357.6 Ų57.62%0.01630%0.301CS..Hα-helixtrans-60.2-44.2174-89-161.5000113.7L273 L289 I305 L306 D340 I341 I342 S346 T347 C350L273-L344 HydrophobicContact CD1-CD1 3.9Å; L289-L344 HydrophobicContact CD1-CD2 4.15Å; L289-L344 HydrophobicContact CD2-CD2 3.69Å; L289-L344 HydrophobicContact CG-CD2 4.4Å; I305-L344 HydrophobicContact CB-CD2 3.68Å; I305-L344 HydrophobicContact CB-CG 4.37Å; I305-L344 HydrophobicContact CD1-CD2 4.05Å; I305-L344 HydrophobicContact CG1-CD2 4.43Å; I305-L344 HydrophobicContact CG2-CD2 3.61Å; I305-L344 HydrophobicContact CG2-CG 3.94Å; L306-L344 HydrophobicContact CD1-CD1 3.17Å; L306-L344 HydrophobicContact CD1-CG 4.15Å; L306-L344 HydrophobicContact CD2-CB 4.49Å; L306-L344 HydrophobicContact CD2-CD1 3.51Å; L306-L344 HydrophobicContact CD2-CG 3.64Å; L306-L344 HydrophobicContact CG-CD1 3.3Å; L306-L344 HydrophobicContact CG-CD2 4.44Å; L306-L344 HydrophobicContact CG-CG 3.72Å; D340-L344 WeakPolarHBondContact O-CB 3.48Å; D340-L344 PolarHBondContact O-N 3.01Å; I341-L344 WeakPolarHBondContact O-CB 3.49Å; I341-L344 PolarHBondContact O-N 3.21Å; I342-L344 VanDerWaalsContact C-N 3.33Å; I342-L344 PolarHBondContact O-N 3.03Å; L344-S346 PolarHBondContact O-N 3.42Å; L344-T347 PolarHBondContact O-N 3.32Å; L344-T347 VanDerWaalsContact O-N 3.07Å; L344-T347 PolarHBondContact O-OG1 2.71Å; L344-C350 VanDerWaalsContact O-CB 3.31Å; L344-C350 WeakPolarHBondContact O-CB 2.89Å; L344-C350 PolarHBondContact O-SG 3.03Å; L344-C350 VanDerWaalsContact O-SG 3.33Å
345A79.1Confident78.4Confident15 Ų1561.3 Ų61.312%0.12432%0.319CS..Hα-helixtrans-63.6-25.3178.100000111.6L273 I341 I342 E343 T347 V356 L358L273-A345 HydrophobicContact CD2-CB 4.5Å; I341-A345 WeakPolarHBondContact O-CB 3.24Å; I341-A345 PolarHBondContact O-N 3.44Å; I342-A345 PolarHBondContact O-N 3.39Å; E343-A345 PolarHBondContact O-N 3.25Å; A345-T347 VanDerWaalsContact C-N 3.33Å; A345-V356 HydrophobicContact CB-CG1 4.33Å; A345-L358 HydrophobicContact CB-CD1 4.06Å; A345-L358 HydrophobicContact CB-CD2 3.94Å; A345-L358 HydrophobicContact CB-CG 4.39Å
346S79.9Confident78Confident88 Ų8863 Ų6362%0.61533%0.33SS*.Hα-helixtrans-78.4-14.7176.2-54.80000113.4I342 E343 L344I342-S346 PolarHBondContact O-N 3.16Å; I342-S346 VanDerWaalsContact O-N 3.09Å; I342-S346 PolarHBondContact O-OG 3.35Å; E343-S346 WeakPolarHBondContact O-CB 3.19Å; E343-S346 PolarHBondContact O-N 3.31Å; E343-S346 VanDerWaalsContact O-N 3.12Å; L344-S346 PolarHBondContact O-N 3.42Å
347T77.2Confident77.6Confident20 Ų2066.4 Ų66.412%0.12335%0.348CS..SBendtrans-71.2145.8178.380.30000110.6I305 E343 L344 A345 E349 C350 R351I305-T347 HydrophobicContact CD1-CG2 3.95Å; E343-T347 WeakPolarHBondContact O-CG2 3.44Å; E343-T347 PolarHBondContact O-N 2.78Å; L344-T347 PolarHBondContact O-N 3.32Å; L344-T347 VanDerWaalsContact O-N 3.07Å; L344-T347 PolarHBondContact O-OG1 2.71Å; A345-T347 VanDerWaalsContact C-N 3.33Å; T347-E349 WeakPolarHBondContact CB-OE2 3.31Å; T347-E349 PolarHBondContact O-N 3.08Å; T347-E349 VanDerWaalsContact O-N 3.14Å; T347-E349 PolarHBondContact OG1-OE2 3.46Å; T347-C350 PolarHBondContact O-N 3.14Å; T347-C350 VanDerWaalsContact O-N 3.08Å; T347-R351 PolarHBondContact O-N 2.95Å
348P68.2Low77.2Confident82 Ų8269.9 Ų69.953%0.53237%0.366SS..Hα-helixtrans-59.2-30.1-175.423.9-33.5000112.4C350 R351 D352P348-C350 VanDerWaalsContact C-N 3.3Å; P348-C350 PolarHBondContact O-N 3.27Å; P348-R351 PolarHBondContact O-N 3.34Å; P348-D352 PolarHBondContact O-N 3.39Å
349E67.5Low77Confident107 Ų10773.7 Ų73.750%0.540%0.395SS..Hα-helixtrans-67.4-29.8-180-52.379-171.900113.1T347 N353T347-E349 WeakPolarHBondContact CB-OE2 3.31Å; T347-E349 PolarHBondContact O-N 3.08Å; T347-E349 VanDerWaalsContact O-N 3.14Å; T347-E349 PolarHBondContact OG1-OE2 3.46Å; E349-N353 PolarHBondContact O-ND2 3.07Å
350C63.3Low76.7Confident4 Ų473.7 Ų73.73%0.02740%0.396CS..Hα-helixtrans-89.5-35.8175.8-66.40000111.6L344 T347 P348 D352 N353 V356L344-C350 VanDerWaalsContact O-CB 3.31Å; L344-C350 WeakPolarHBondContact O-CB 2.89Å; L344-C350 PolarHBondContact O-SG 3.03Å; L344-C350 VanDerWaalsContact O-SG 3.33Å; T347-C350 PolarHBondContact O-N 3.14Å; T347-C350 VanDerWaalsContact O-N 3.08Å; P348-C350 VanDerWaalsContact C-N 3.3Å; P348-C350 PolarHBondContact O-N 3.27Å; C350-D352 PolarHBondContact O-N 3.39Å; C350-N353 WeakPolarHBondContact O-CB 3.42Å; C350-N353 PolarHBondContact O-N 3.45Å; C350-V356 HydrophobicContact CB-CG2 4.42Å; C350-V356 WeakPolarHBondContact O-CG2 3.41Å
351R63.5Low76.7Confident208 Ų20874.7 Ų74.779%0.78540%0.401SS*.Hα-helixtrans-59.1-33.4179-172.9177.5177.6179.7-0.3113.1T347 P348 N353T347-R351 PolarHBondContact O-N 2.95Å; P348-R351 PolarHBondContact O-N 3.34Å; R351-N353 VanDerWaalsContact C-N 3.26Å; R351-N353 PolarHBondContact O-N 3.32Å
352D67.7Low76.8Confident133 Ų13379.8 Ų79.871%0.71143%0.425SS*.THydrogen-bonded Turntrans-75.7-12.2177.4-69.2-20.7000113.2P348 C350 P354P348-D352 PolarHBondContact O-N 3.39Å; C350-D352 PolarHBondContact O-N 3.39Å; D352-P354 WeakPolarHBondContact O-CD 3.33Å
353N69.9Low77Confident61 Ų6178.5 Ų78.533%0.32642%0.422SS..  trans-89.5116.6179.2-64.4-48.1000110.7E349 C350 R351 E355 V356E349-N353 PolarHBondContact O-ND2 3.07Å; C350-N353 WeakPolarHBondContact O-CB 3.42Å; C350-N353 PolarHBondContact O-N 3.45Å; R351-N353 VanDerWaalsContact C-N 3.26Å; R351-N353 PolarHBondContact O-N 3.32Å; N353-E355 PolarHBondContact O-N 3.4Å; N353-V356 HydrophobicContact CB-CG2 4.02Å; N353-V356 PolarHBondContact O-N 3.34Å
354P68.3Low77.3Confident131 Ų13175.1 Ų75.185%0.85141%0.406SS*.THydrogen-bonded Turntrans-71.1-7.9177.730.2-36.1000113.8D352 V356D352-P354 WeakPolarHBondContact O-CD 3.33Å; P354-V356 VanDerWaalsContact C-N 3.32Å
355E74.6Confident77.9Confident134 Ų13479.8 Ų79.863%0.62643%0.426SS*.THydrogen-bonded Turntrans-86.71.1179.6-62.8-176.3-176.700113.4G274 N353 D357G274-E355 WeakPolarHBondContact CA-O 3.45Å; G274-E355 PolarHBondContact N-O 3.36Å; G274-E355 VanDerWaalsContact O-OE2 3.05Å; N353-E355 PolarHBondContact O-N 3.4Å; E355-D357 PolarHBondContact O-N 2.95Å
356V79.6Confident78.4Confident40 Ų4079.8 Ų79.824%0.24242%0.424CS..  trans-78.8113177.8179.90000109.7A272 A345 C350 N353 P354A272-V356 CarbonylContact O-C 3.46Å; A272-V356 VanDerWaalsContact O-CA 3.26Å; A272-V356 WeakPolarHBondContact O-CA 3.4Å; A272-V356 WeakPolarHBondContact O-CG1 3.25Å; A345-V356 HydrophobicContact CB-CG1 4.33Å; C350-V356 HydrophobicContact CB-CG2 4.42Å; C350-V356 WeakPolarHBondContact O-CG2 3.41Å; N353-V356 HydrophobicContact CB-CG2 4.02Å; N353-V356 PolarHBondContact O-N 3.34Å; P354-V356 VanDerWaalsContact C-N 3.32Å
357D81.1Confident78.9Confident73 Ų7377.2 Ų77.239%0.3941%0.405SS..  trans-126.999.6176.3-178.515.1000110.9A272 E355 S359A272-D357 VanDerWaalsContact CA-O 3.25Å; A272-D357 WeakPolarHBondContact CA-O 3.39Å; A272-D357 VanDerWaalsContact CB-O 3.29Å; A272-D357 WeakPolarHBondContact CB-O 3.48Å; A272-D357 PolarHBondContact O-N 3.44Å; E355-D357 PolarHBondContact O-N 2.95Å; D357-S359 VanDerWaalsContact C-N 3.27Å; D357-S359 VanDerWaalsContact CG-OG 3.28Å; D357-S359 PolarHBondContact O-N 2.84Å; D357-S359 VanDerWaalsContact OD1-CB 3.26Å; D357-S359 WeakPolarHBondContact OD1-CB 3.24Å; D357-S359 PolarHBondContact OD1-N 2.95Å; D357-S359 PolarHBondContact OD1-OG 3.45Å; D357-S359 PolarHBondContact OD2-OG 3.11Å
358L82.3Confident79.5Confident73 Ų7380.7 Ų80.738%0.38242%0.422SS..G310 helixtrans-73.4-18.7176-61.8177.5000112.7I341 A345 M360 L361I341-L358 HydrophobicContact CG2-CD2 4.34Å; A345-L358 HydrophobicContact CB-CD1 4.06Å; A345-L358 HydrophobicContact CB-CD2 3.94Å; A345-L358 HydrophobicContact CB-CG 4.39Å; L358-M360 PolarHBondContact O-N 3.34Å; L358-L361 HydrophobicContact CB-CD1 4.27Å; L358-L361 HydrophobicContact CD2-CD1 3.67Å; L358-L361 WeakPolarHBondContact O-CB 3.48Å; L358-L361 WeakPolarHBondContact O-CG 3.34Å; L358-L361 PolarHBondContact O-N 2.92Å; L358-L361 VanDerWaalsContact O-N 3.15Å
359S84Confident80.5Confident103 Ų10379.5 Ų79.572%0.7242%0.415SS*.G310 helixtrans-69.6-19.8-178.776.60000112.8D357 L361D357-S359 VanDerWaalsContact C-N 3.27Å; D357-S359 VanDerWaalsContact CG-OG 3.28Å; D357-S359 PolarHBondContact O-N 2.84Å; D357-S359 VanDerWaalsContact OD1-CB 3.26Å; D357-S359 WeakPolarHBondContact OD1-CB 3.24Å; D357-S359 PolarHBondContact OD1-N 2.95Å; D357-S359 PolarHBondContact OD1-OG 3.45Å; D357-S359 PolarHBondContact OD2-OG 3.11Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.17Å
360M83.6Confident81.6Confident98 Ų9874.6 Ų74.648%0.48339%0.392SS..G310 helixtrans-75-13.4175.1-168.4-178.5176.200112.9Q268 S271 L358Q268-M360 PolarHBondContact NE2-O 3.42Å; S271-M360 WeakPolarHBondContact CB-SD 3.47Å; L358-M360 PolarHBondContact O-N 3.34Å
361L86.3Confident82.9Confident22 Ų2274.5 Ų74.512%0.11539%0.392CS..  trans-74133.1-178-62.9168.9000111V264 Q268 A272 L338 I341 L358 S359 P363V264-L361 HydrophobicContact CG1-CD2 3.78Å; V264-L361 HydrophobicContact CG2-CD2 4.32Å; Q268-L361 HydrophobicContact CG-CD2 4.29Å; A272-L361 HydrophobicContact CB-CD1 4.15Å; A272-L361 HydrophobicContact CB-CD2 3.36Å; A272-L361 HydrophobicContact CB-CG 3.62Å; L338-L361 HydrophobicContact CD1-CD1 3.99Å; I341-L361 HydrophobicContact CG2-CD1 4.03Å; L358-L361 HydrophobicContact CB-CD1 4.27Å; L358-L361 HydrophobicContact CD2-CD1 3.67Å; L358-L361 WeakPolarHBondContact O-CB 3.48Å; L358-L361 WeakPolarHBondContact O-CG 3.34Å; L358-L361 PolarHBondContact O-N 2.92Å; L358-L361 VanDerWaalsContact O-N 3.15Å; S359-L361 VanDerWaalsContact C-N 3.27Å; S359-L361 PolarHBondContact O-N 3.17Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å
362E86.5Confident84.2Confident108 Ų10868.7 Ų68.751%0.50538%0.376SS..  trans-117.189.2174.1-69.2173.8173.500106.5Q268 K325Q268-E362 VanDerWaalsContact NE2-CB 3.31Å; K325-E362 WeakPolarHBondContact CE-OE2 3.28Å; K325-E362 IonicContact NZ-OE2 3.48Å; K325-E362 PolarHBondContact NZ-OE2 3.02Å
363P90.4Very high85.3Confident56 Ų5663.4 Ų63.436%0.36435%0.347SS..  trans-67.6147.9175.426-31.1000111.4E262 F263 V264 L338 L361E262-P363 HydrophobicContact CB-CB 3.85Å; E262-P363 HydrophobicContact CG-CB 4.3Å; F263-P363 WeakPolarHBondContact O-CA 3.3Å; V264-P363 HydrophobicContact CG2-CB 4.42Å; L338-P363 HydrophobicContact CD2-CB 3.93Å; L338-P363 HydrophobicContact CD2-CG 4.27Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å
364F90.8Very high86.2Confident18 Ų1860.5 Ų60.58%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-143.9153.8173.763.2-84.4000110.9F263 L265 W318 L319 L324 L335 L366F263-F364 HydrophobicContact CB-CZ 4.45Å; F263-F364 PolarHBondContact N-O 3.19Å; F263-F364 WeakPolarHBondContact O-CD1 3.32Å; F263-F364 WeakPolarHBondContact O-CE1 3.48Å; F263-F364 PolarHBondContact O-N 3.25Å; L265-F364 HydrophobicContact CD2-CE1 3.91Å; L265-F364 HydrophobicContact CD2-CZ 3.8Å; L265-F364 HydrophobicContact CG-CE1 4.21Å; W318-F364 HydrophobicContact CZ3-CE2 4.22Å; L319-F364 HydrophobicContact CD2-CE2 3.9Å; L319-F364 HydrophobicContact CD2-CZ 3.94Å; L324-F364 HydrophobicContact CD2-CB 3.75Å; L324-F364 HydrophobicContact CD2-CD1 3.42Å; L324-F364 VanDerWaalsContact CD2-CD1 3.42Å; L324-F364 HydrophobicContact CD2-CD2 3.65Å; L324-F364 HydrophobicContact CD2-CE1 3.8Å; L324-F364 HydrophobicContact CD2-CE2 4Å; L324-F364 HydrophobicContact CD2-CG 3.32Å; L324-F364 HydrophobicContact CD2-CZ 4.06Å; L335-F364 HydrophobicContact CD2-CZ 3.78Å; F364-L366 HydrophobicContact CD2-CD2 4.17Å; F364-L366 HydrophobicContact CE2-CD2 3.58Å
365K91.6Very high87.2Confident102 Ų10257.2 Ų57.244%0.44330%0.303SS..EExtended strand (participates in β ladder)trans-89.5144.1176-63.9-175.5177.9-173.70110.5N260 E262N260-K365 PolarHBondContact OD1-NZ 3.46Å; E262-K365 HydrophobicContact CG-CG 4.42Å
366L90.9Very high87.8Confident15 Ų1554.3 Ų54.38%0.07929%0.287CS..PPolyproline II helixtrans-87.3146.1175.5-65.5178.3000110.7F263 W318 L335 F364 I370 L371 V374F263-L366 HydrophobicContact CB-CG 4.38Å; F263-L366 HydrophobicContact CD1-CD1 4.02Å; F263-L366 HydrophobicContact CD2-CB 4.44Å; F263-L366 HydrophobicContact CD2-CD1 3.51Å; F263-L366 HydrophobicContact CD2-CG 3.56Å; F263-L366 HydrophobicContact CE1-CD1 4.04Å; F263-L366 HydrophobicContact CE2-CD1 3.53Å; F263-L366 HydrophobicContact CE2-CG 3.95Å; F263-L366 HydrophobicContact CG-CD1 3.75Å; F263-L366 HydrophobicContact CG-CG 3.98Å; F263-L366 HydrophobicContact CZ-CD1 3.78Å; W318-L366 HydrophobicContact CZ3-CD2 4.26Å; L335-L366 HydrophobicContact CD1-CD1 4.12Å; L335-L366 HydrophobicContact CD1-CD2 3.94Å; F364-L366 HydrophobicContact CD2-CD2 4.17Å; F364-L366 HydrophobicContact CE2-CD2 3.58Å; L366-I370 HydrophobicContact CD1-CG2 4.15Å; L366-I370 HydrophobicContact CD2-CG2 4.21Å; L366-L371 HydrophobicContact CB-CB 4.32Å; L366-V374 HydrophobicContact CD1-CG2 3.9Å
367P90.4Very high88Confident34 Ų3453.6 Ų53.622%0.22129%0.285CS..PPolyproline II helixtrans-66.8153.1168.633.2-36000108.7W318 C369 I370 L371W318-P367 HydrophobicContact CD2-CG 4.1Å; W318-P367 HydrophobicContact CH2-CG 4.3Å; W318-P367 HydrophobicContact CZ2-CB 4.35Å; W318-P367 HydrophobicContact CZ2-CG 3.72Å; P367-C369 PolarHBondContact O-N 3.42Å; P367-C369 VanDerWaalsContact O-N 3.13Å; P367-I370 HydrophobicContact CG-CB 4.01Å; P367-I370 HydrophobicContact CG-CD1 3.67Å; P367-I370 HydrophobicContact CG-CG1 3.73Å; P367-I370 PolarHBondContact O-N 2.96Å; P367-I370 VanDerWaalsContact O-N 3.07Å; P367-L371 WeakPolarHBondContact O-CB 3.02Å; P367-L371 PolarHBondContact O-N 3.37Å
368L89.7Confident88.2Confident93 Ų9350.1 Ų50.149%0.48727%0.267SS..Hα-helixtrans-53.2-39.3-175.8-61.7178.6000112.6E259 I370 L371 D372E259-L368 HydrophobicContact CB-CD2 4.35Å; E259-L368 HydrophobicContact CG-CD2 3.56Å; L368-I370 PolarHBondContact O-N 3.47Å; L368-L371 HydrophobicContact CD2-CD2 4.46Å; L368-L371 PolarHBondContact O-N 3.32Å; L368-D372 WeakPolarHBondContact O-CB 3.37Å; L368-D372 VanDerWaalsContact O-CG 3.28Å; L368-D372 PolarHBondContact O-N 2.78Å
369C89.7Confident88.3Confident56 Ų5647.1 Ų47.138%0.37825%0.253SS..Hα-helixtrans-60.7-43.4178.856.10000114P367 K373 C407P367-C369 PolarHBondContact O-N 3.42Å; P367-C369 VanDerWaalsContact O-N 3.13Å; C369-K373 PolarHBondContact O-N 2.98Å; C369-C407 VanDerWaalsContact CB-SG 3.57Å
370I90.3Very high88.1Confident5 Ų547.6 Ų47.63%0.02624%0.244CC..Hα-helixtrans-76.2-37.7177-58.2177.7000109.4D315 W318 L366 P367 L368 D372 K373 V374D315-I370 HydrophobicContact CB-CD1 4.38Å; W318-I370 HydrophobicContact CB-CD1 3.96Å; W318-I370 HydrophobicContact CD2-CD1 3.58Å; W318-I370 HydrophobicContact CE3-CD1 3.5Å; W318-I370 VanDerWaalsContact CE3-CD1 3.5Å; W318-I370 HydrophobicContact CG-CD1 3.77Å; W318-I370 HydrophobicContact CZ3-CD1 4.25Å; L366-I370 HydrophobicContact CD1-CG2 4.15Å; L366-I370 HydrophobicContact CD2-CG2 4.21Å; P367-I370 HydrophobicContact CG-CB 4.01Å; P367-I370 HydrophobicContact CG-CD1 3.67Å; P367-I370 HydrophobicContact CG-CG1 3.73Å; P367-I370 PolarHBondContact O-N 2.96Å; P367-I370 VanDerWaalsContact O-N 3.07Å; L368-I370 PolarHBondContact O-N 3.47Å; I370-D372 VanDerWaalsContact C-N 3.27Å; I370-D372 PolarHBondContact O-N 2.99Å; I370-K373 WeakPolarHBondContact O-CB 3.15Å; I370-K373 PolarHBondContact O-N 3Å; I370-V374 HydrophobicContact CG2-CG2 4.31Å; I370-V374 VanDerWaalsContact O-CG2 3.26Å; I370-V374 WeakPolarHBondContact O-CG2 3.22Å; I370-V374 PolarHBondContact O-N 3.35Å
371L90.8Very high87.8Confident2 Ų244 Ų441%0.0123%0.227CC..Hα-helixtrans-59-39.4177.2-174.964.4000111.8L257 E259 F263 L366 P367 L368 V374 K375L257-L371 HydrophobicContact CB-CD1 4.32Å; E259-L371 HydrophobicContact CG-CD2 4.45Å; F263-L371 HydrophobicContact CE2-CD1 4.03Å; F263-L371 HydrophobicContact CZ-CD1 4.2Å; L366-L371 HydrophobicContact CB-CB 4.32Å; P367-L371 WeakPolarHBondContact O-CB 3.02Å; P367-L371 PolarHBondContact O-N 3.37Å; L368-L371 HydrophobicContact CD2-CD2 4.46Å; L368-L371 PolarHBondContact O-N 3.32Å; L371-V374 WeakPolarHBondContact O-CB 3.41Å; L371-V374 PolarHBondContact O-N 3.42Å; L371-K375 WeakPolarHBondContact O-CG 3.46Å; L371-K375 PolarHBondContact O-N 2.79Å
372D90.6Very high87.5Confident86 Ų8644.9 Ų44.946%0.4623%0.229SC..Hα-helixtrans-67.2-39176.8-71.8-24.5000112.2L368 I370 V374 K375 Y376L368-D372 WeakPolarHBondContact O-CB 3.37Å; L368-D372 VanDerWaalsContact O-CG 3.28Å; L368-D372 PolarHBondContact O-N 2.78Å; I370-D372 VanDerWaalsContact C-N 3.27Å; I370-D372 PolarHBondContact O-N 2.99Å; D372-V374 VanDerWaalsContact C-N 3.31Å; D372-V374 PolarHBondContact O-N 3.1Å; D372-K375 PolarHBondContact O-N 2.77Å; D372-Y376 WeakPolarHBondContact O-CB 3.33Å; D372-Y376 PolarHBondContact O-N 2.88Å
373K89.2Confident87.1Confident22 Ų2243.1 Ų43.110%0.09622%0.223CC..Hα-helixtrans-60.3-42.4170.4-66.1179.8-175.1-179.30111.6Y309 D312 D315 C369 I370 Y376 A377 Y403Y309-K373 HydrophobicContact CE2-CB 4.39Å; Y309-K373 WeakPolarHBondContact OH-CB 3.49Å; D312-K373 IonicContact OD1-NZ 2.72Å; D312-K373 PolarHBondContact OD1-NZ 3.36Å; D312-K373 IonicContact OD2-NZ 2.73Å; D312-K373 PolarHBondContact OD2-NZ 3.13Å; D315-K373 WeakPolarHBondContact OD1-CD 3.38Å; D315-K373 IonicContact OD1-NZ 3.49Å; D315-K373 PolarHBondContact OD1-NZ 3.43Å; C369-K373 PolarHBondContact O-N 2.98Å; I370-K373 WeakPolarHBondContact O-CB 3.15Å; I370-K373 PolarHBondContact O-N 3Å; K373-Y376 PolarHBondContact O-N 3.18Å; K373-A377 WeakPolarHBondContact O-CB 3.37Å; K373-A377 PolarHBondContact O-N 2.99Å; K373-Y403 HydrophobicContact CG-CE2 4.16Å
374V89.4Confident86.2Confident0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-65.6-43.3178.7177.20000111.1L257 F263 F307 Y309 L366 I370 L371 D372 Y376 A377 M378L257-V374 HydrophobicContact CD1-CG1 3.79Å; F263-V374 HydrophobicContact CE1-CG1 4.07Å; F263-V374 HydrophobicContact CZ-CG1 4.13Å; F307-V374 HydrophobicContact CE1-CG1 3.58Å; F307-V374 HydrophobicContact CZ-CG1 3.96Å; Y309-V374 HydrophobicContact CD1-CG2 3.75Å; Y309-V374 HydrophobicContact CD2-CB 4.34Å; Y309-V374 HydrophobicContact CD2-CG2 3.83Å; Y309-V374 HydrophobicContact CE1-CG2 3.95Å; Y309-V374 HydrophobicContact CE2-CG2 4.06Å; Y309-V374 HydrophobicContact CG-CG2 3.66Å; L366-V374 HydrophobicContact CD1-CG2 3.9Å; I370-V374 HydrophobicContact CG2-CG2 4.31Å; I370-V374 VanDerWaalsContact O-CG2 3.26Å; I370-V374 WeakPolarHBondContact O-CG2 3.22Å; I370-V374 PolarHBondContact O-N 3.35Å; L371-V374 WeakPolarHBondContact O-CB 3.41Å; L371-V374 PolarHBondContact O-N 3.42Å; D372-V374 VanDerWaalsContact C-N 3.31Å; D372-V374 PolarHBondContact O-N 3.1Å; V374-Y376 VanDerWaalsContact C-N 3.35Å; V374-A377 PolarHBondContact O-N 2.71Å; V374-M378 WeakPolarHBondContact O-CB 3.45Å; V374-M378 PolarHBondContact O-N 3.22Å
375K89.8Confident85.2Confident61 Ų6141.5 Ų41.527%0.26522%0.219SC..Hα-helixtrans-59.8-44.5173.5-78.3173.2176.5174.80111.8L257 L371 D372 M378 A379L257-K375 HydrophobicContact CB-CG 3.84Å; L257-K375 HydrophobicContact CD1-CG 3.85Å; L257-K375 HydrophobicContact CG-CG 4.49Å; L257-K375 WeakPolarHBondContact O-CE 3.33Å; L257-K375 PolarHBondContact O-NZ 2.73Å; L371-K375 WeakPolarHBondContact O-CG 3.46Å; L371-K375 PolarHBondContact O-N 2.79Å; D372-K375 PolarHBondContact O-N 2.77Å; K375-M378 PolarHBondContact O-N 3.2Å; K375-A379 WeakPolarHBondContact O-CB 3.46Å; K375-A379 PolarHBondContact O-N 3.44Å
376Y86.4Confident84.2Confident74 Ų7441.5 Ų41.529%0.2922%0.22SC..Hα-helixtrans-60.4-48.7176.8-176.3-88.9000111D372 K373 V374 M378 A379 E380D372-Y376 WeakPolarHBondContact O-CB 3.33Å; D372-Y376 PolarHBondContact O-N 2.88Å; K373-Y376 PolarHBondContact O-N 3.18Å; V374-Y376 VanDerWaalsContact C-N 3.35Å; Y376-M378 VanDerWaalsContact C-N 3.3Å; Y376-M378 PolarHBondContact O-N 3.21Å; Y376-A379 WeakPolarHBondContact O-CB 3.25Å; Y376-A379 PolarHBondContact O-N 2.86Å; Y376-A379 VanDerWaalsContact O-N 3.11Å; Y376-E380 HydrophobicContact CD1-CG 4.24Å; Y376-E380 VanDerWaalsContact CE1-CD 3.45Å; Y376-E380 HydrophobicContact CE1-CG 3.8Å; Y376-E380 PolarHBondContact O-N 2.88Å
377A85.3Confident82.6Confident24 Ų2448.1 Ų48.120%0.19825%0.252CS..Hα-helixtrans-59.6-39.8176.600000112.3Y309 K373 V374 V381Y309-A377 HydrophobicContact CD2-CB 3.89Å; Y309-A377 HydrophobicContact CE2-CB 4.09Å; K373-A377 WeakPolarHBondContact O-CB 3.37Å; K373-A377 PolarHBondContact O-N 2.99Å; V374-A377 PolarHBondContact O-N 2.71Å; A377-V381 WeakPolarHBondContact O-CG2 3.29Å; A377-V381 PolarHBondContact O-N 2.77Å
378M84.7Confident81Confident0 Ų049.6 Ų49.60%026%0.263CS..Hα-helixtrans-66.4-40.9174.4-176172.4-80.200112.2W252 R256 L257 F307 V374 K375 Y376 E380 V381 Y382W252-M378 VanDerWaalsContact O-CG 3.24Å; W252-M378 WeakPolarHBondContact O-CG 3.34Å; R256-M378 HydrophobicContact CG-SD 4.14Å; R256-M378 VanDerWaalsContact NE-CE 3.28Å; R256-M378 VanDerWaalsContact NH2-CE 3.32Å; L257-M378 HydrophobicContact CD1-CB 4.29Å; L257-M378 HydrophobicContact CD1-CE 3.99Å; L257-M378 HydrophobicContact CD1-SD 3.75Å; L257-M378 HydrophobicContact CD2-CE 4.25Å; L257-M378 HydrophobicContact CG-CE 4.21Å; L257-M378 HydrophobicContact CG-SD 3.94Å; F307-M378 HydrophobicContact CB-CE 3.78Å; F307-M378 HydrophobicContact CD1-CE 3.75Å; F307-M378 HydrophobicContact CD2-CB 4.22Å; F307-M378 HydrophobicContact CD2-CE 3.24Å; F307-M378 HydrophobicContact CD2-CG 4.17Å; F307-M378 HydrophobicContact CE1-CE 4.15Å; F307-M378 HydrophobicContact CE2-CB 3.59Å; F307-M378 HydrophobicContact CE2-CE 3.76Å; F307-M378 HydrophobicContact CE2-CG 4.04Å; F307-M378 HydrophobicContact CG-CE 3.29Å; F307-M378 HydrophobicContact CZ-CB 3.98Å; F307-M378 HydrophobicContact CZ-CE 4.17Å; V374-M378 WeakPolarHBondContact O-CB 3.45Å; V374-M378 PolarHBondContact O-N 3.22Å; K375-M378 PolarHBondContact O-N 3.2Å; Y376-M378 VanDerWaalsContact C-N 3.3Å; Y376-M378 PolarHBondContact O-N 3.21Å; M378-E380 VanDerWaalsContact C-N 3.34Å; M378-E380 PolarHBondContact O-N 2.95Å; M378-V381 WeakPolarHBondContact O-CB 3.37Å; M378-V381 PolarHBondContact O-N 3.02Å; M378-Y382 WeakPolarHBondContact O-CB 3.25Å; M378-Y382 PolarHBondContact O-N 3.25Å
379A83.8Confident79.3Confident11 Ų1148.6 Ų48.69%0.09126%0.264CS..Hα-helixtrans-63.6-36.9177.800000112.4P254 K375 Y376 V381 Y382 N383P254-A379 HydrophobicContact CB-CB 4.23Å; P254-A379 HydrophobicContact CG-CB 3.98Å; K375-A379 WeakPolarHBondContact O-CB 3.46Å; K375-A379 PolarHBondContact O-N 3.44Å; Y376-A379 WeakPolarHBondContact O-CB 3.25Å; Y376-A379 PolarHBondContact O-N 2.86Å; Y376-A379 VanDerWaalsContact O-N 3.11Å; A379-V381 VanDerWaalsContact C-N 3.31Å; A379-V381 PolarHBondContact O-N 3.42Å; A379-Y382 PolarHBondContact O-N 3.22Å; A379-N383 VanDerWaalsContact O-CB 3.28Å; A379-N383 WeakPolarHBondContact O-CB 3.43Å; A379-N383 PolarHBondContact O-N 3.02Å; A379-N383 PolarHBondContact O-ND2 3.04Å; A379-N383 VanDerWaalsContact O-ND2 3.16Å
380E80.8Confident77.2Confident113 Ų11349.1 Ų49.153%0.52827%0.268SS..Hα-helixtrans-59.5-42.9174.2-72.8-170.5118.100111.8Y376 M378 G384Y376-E380 HydrophobicContact CD1-CG 4.24Å; Y376-E380 VanDerWaalsContact CE1-CD 3.45Å; Y376-E380 HydrophobicContact CE1-CG 3.8Å; Y376-E380 PolarHBondContact O-N 2.88Å; M378-E380 VanDerWaalsContact C-N 3.34Å; M378-E380 PolarHBondContact O-N 2.95Å; E380-G384 PolarHBondContact O-N 3.4Å
381V77.2Confident75.1Confident22 Ų2253.7 Ų53.713%0.13331%0.306CS..Hα-helixtrans-65.5-50176.5-177.30000110.7W252 V292 A377 M378 A379 N383 G384 M385W252-V381 HydrophobicContact CD2-CG1 3.99Å; W252-V381 HydrophobicContact CE3-CB 4.09Å; W252-V381 HydrophobicContact CE3-CG1 3.6Å; W252-V381 HydrophobicContact CZ3-CG1 3.99Å; V292-V381 HydrophobicContact CB-CG2 4.28Å; V292-V381 HydrophobicContact CG1-CG2 3.34Å; V292-V381 HydrophobicContact CG2-CG1 3.78Å; V292-V381 HydrophobicContact CG2-CG2 3.9Å; A377-V381 WeakPolarHBondContact O-CG2 3.29Å; A377-V381 PolarHBondContact O-N 2.77Å; M378-V381 WeakPolarHBondContact O-CB 3.37Å; M378-V381 PolarHBondContact O-N 3.02Å; A379-V381 VanDerWaalsContact C-N 3.31Å; A379-V381 PolarHBondContact O-N 3.42Å; V381-N383 VanDerWaalsContact C-N 3.32Å; V381-N383 PolarHBondContact O-N 2.83Å; V381-G384 WeakPolarHBondContact O-CA 3.5Å; V381-G384 PolarHBondContact O-N 2.9Å; V381-G384 VanDerWaalsContact O-N 3.12Å; V381-M385 HydrophobicContact CG1-CG 4.48Å; V381-M385 HydrophobicContact CG1-SD 3.92Å; V381-M385 WeakPolarHBondContact O-CG 3.43Å; V381-M385 PolarHBondContact O-N 3.08Å
382Y80.4Confident72.3Confident40 Ų4058.6 Ų58.616%0.15734%0.341CS..Hα-helixtrans-55.5-46.7178.8-179.3-96.4000112.2L249 W252 N253 M378 A379 G384 M385 K386L249-Y382 HydrophobicContact CD1-CD2 3.71Å; L249-Y382 HydrophobicContact CD1-CE2 3.53Å; L249-Y382 HydrophobicContact CD1-CG 4.45Å; L249-Y382 HydrophobicContact CD2-CE2 4.38Å; L249-Y382 HydrophobicContact CG-CD2 4.18Å; L249-Y382 HydrophobicContact CG-CE2 3.52Å; L249-Y382 WeakPolarHBondContact O-CD2 3.42Å; L249-Y382 WeakPolarHBondContact O-CE2 3.26Å; W252-Y382 HydrophobicContact CB-CD2 4.12Å; W252-Y382 WeakPolarHBondContact O-CB 3.29Å; W252-Y382 WeakPolarHBondContact O-CD2 3.31Å; N253-Y382 HydrophobicContact CB-CD2 4.44Å; N253-Y382 HydrophobicContact CB-CE2 4.11Å; M378-Y382 WeakPolarHBondContact O-CB 3.25Å; M378-Y382 PolarHBondContact O-N 3.25Å; A379-Y382 PolarHBondContact O-N 3.22Å; Y382-G384 PolarHBondContact O-N 2.76Å; Y382-M385 PolarHBondContact O-N 2.75Å; Y382-K386 HydrophobicContact CE1-CD 4.17Å; Y382-K386 WeakPolarHBondContact O-CB 3.41Å; Y382-K386 PolarHBondContact O-N 2.92Å
383N76.5Confident69.5Low72 Ų7266.5 Ų66.539%0.38536%0.364SS..Hα-helixtrans-64.2-40.9177.5-73.5-28.9000111.4A379 V381 M385 K386 M387A379-N383 VanDerWaalsContact O-CB 3.28Å; A379-N383 WeakPolarHBondContact O-CB 3.43Å; A379-N383 PolarHBondContact O-N 3.02Å; A379-N383 PolarHBondContact O-ND2 3.04Å; A379-N383 VanDerWaalsContact O-ND2 3.16Å; V381-N383 VanDerWaalsContact C-N 3.32Å; V381-N383 PolarHBondContact O-N 2.83Å; N383-M385 VanDerWaalsContact C-N 3.29Å; N383-M385 PolarHBondContact O-N 2.91Å; N383-K386 PolarHBondContact O-N 2.92Å; N383-M387 WeakPolarHBondContact O-CB 3.3Å; N383-M387 WeakPolarHBondContact O-CG 3.3Å; N383-M387 PolarHBondContact O-N 3.29Å
384G71.9Confident66.7Low31 Ų3170.8 Ų70.832%0.3240%0.397SS..Hα-helixtrans-57.5-41.5172.400000112.7E380 V381 Y382 S388E380-G384 PolarHBondContact O-N 3.4Å; V381-G384 WeakPolarHBondContact O-CA 3.5Å; V381-G384 PolarHBondContact O-N 2.9Å; V381-G384 VanDerWaalsContact O-N 3.12Å; Y382-G384 PolarHBondContact O-N 2.76Å; G384-S388 PolarHBondContact O-N 3.18Å
385M69.2Low63.9Low8 Ų882 Ų824%0.03944%0.439CS..Hα-helixtrans-71-45.7178.4-64.9170.789.800112.2V248 L249 W252 F302 V381 Y382 N383 M387 S388 S389V248-M385 HydrophobicContact CG1-CE 3.81Å; L249-M385 HydrophobicContact CD1-CB 4.01Å; W252-M385 HydrophobicContact CB-SD 4.06Å; W252-M385 VanDerWaalsContact CD1-CE 3.49Å; W252-M385 HydrophobicContact CD2-SD 4.2Å; W252-M385 HydrophobicContact CG-CE 4.29Å; W252-M385 HydrophobicContact CG-SD 3.62Å; F302-M385 HydrophobicContact CD1-CE 4.05Å; F302-M385 HydrophobicContact CE1-CE 4.1Å; V381-M385 HydrophobicContact CG1-CG 4.48Å; V381-M385 HydrophobicContact CG1-SD 3.92Å; V381-M385 WeakPolarHBondContact O-CG 3.43Å; V381-M385 PolarHBondContact O-N 3.08Å; Y382-M385 PolarHBondContact O-N 2.75Å; N383-M385 VanDerWaalsContact C-N 3.29Å; N383-M385 PolarHBondContact O-N 2.91Å; M385-M387 VanDerWaalsContact C-N 3.3Å; M385-M387 PolarHBondContact O-N 3.33Å; M385-S388 PolarHBondContact O-N 2.96Å; M385-S388 VanDerWaalsContact O-N 3.07Å; M385-S388 PolarHBondContact O-OG 2.89Å; M385-S389 PolarHBondContact O-N 2.8Å
386K70.7Confident61.1Low103 Ų10390.1 Ų90.145%0.44847%0.469SS..Hα-helixtrans-60.3-37.5178.5-173.5177.5179179.30112.7L249 Y382 N383 S388 S389 S390L249-K386 HydrophobicContact CD1-CB 4.41Å; Y382-K386 HydrophobicContact CE1-CD 4.17Å; Y382-K386 WeakPolarHBondContact O-CB 3.41Å; Y382-K386 PolarHBondContact O-N 2.92Å; N383-K386 PolarHBondContact O-N 2.92Å; K386-S388 VanDerWaalsContact C-N 3.32Å; K386-S389 PolarHBondContact O-OG 3.41Å; K386-S390 WeakPolarHBondContact O-CB 3.46Å; K386-S390 PolarHBondContact O-N 3.23Å; K386-S390 PolarHBondContact O-OG 3.03Å
387M59Low58.8Low153 Ų15392.9 Ų92.975%0.75449%0.493SS*.Hα-helixtrans-68.9-30.5175.9-69.9-67.7-170.600112.4N383 M385N383-M387 WeakPolarHBondContact O-CB 3.3Å; N383-M387 WeakPolarHBondContact O-CG 3.3Å; N383-M387 PolarHBondContact O-N 3.29Å; M385-M387 VanDerWaalsContact C-N 3.3Å; M385-M387 PolarHBondContact O-N 3.33Å
388S55.9Low56.4Low66 Ų66100.1 Ų100.146%0.46253%0.529SS..Hα-helixtrans-76.5-29.8177.474.60000113.7G384 M385 K386G384-S388 PolarHBondContact O-N 3.18Å; M385-S388 PolarHBondContact O-N 2.96Å; M385-S388 VanDerWaalsContact O-N 3.07Å; M385-S388 PolarHBondContact O-OG 2.89Å; K386-S388 VanDerWaalsContact C-N 3.32Å
389S55Low53.9Low71 Ų71103 Ų10350%0.49756%0.558SS.*Hα-helixtrans-82.1-28.1177.961.10000113.1M385 K386 A391M385-S389 PolarHBondContact O-N 2.8Å; K386-S389 PolarHBondContact O-OG 3.41Å; S389-A391 PolarHBondContact O-N 3.38Å
390S45.4Very low51.6Low68 Ų68108.8 Ų108.848%0.47659%0.587SS.*  trans-89.184.6-180-53.20000110.2K386 S392K386-S390 WeakPolarHBondContact O-CB 3.46Å; K386-S390 PolarHBondContact O-N 3.23Å; K386-S390 PolarHBondContact O-OG 3.03Å; S390-S392 PolarHBondContact O-N 3.33Å
391A44.5Very low49.6Very low100 Ų100108.1 Ų108.183%0.82659%0.591SS**  trans-67.769.7164.100000110.1S389S389-A391 PolarHBondContact O-N 3.38Å
392S33.1Very low47.5Very low106 Ų106118.1 Ų118.174%0.74163%0.626SS**  trans-157.6114.8165.3-97.40000111.5S390 S394S390-S392 PolarHBondContact O-N 3.33Å; S392-S394 PolarHBondContact O-N 2.86Å
393R31.4Very low45.5Very low251 Ų251121.6 Ų121.695%0.94764%0.64SS**  trans-58.6115.7169.7-65.8168.1175.4163.5-3109.1
394S31.3Very low43.6Very low112 Ų112124.4 Ų124.478%0.78366%0.655SS**  trans-177.3123.713341.30000112.3S392S392-S394 PolarHBondContact O-N 2.86Å
395R30.5Very low42.1Very low235 Ų235127.2 Ų127.289%0.88767%0.667SS**  trans58.1108.1139.3-155.9169.6-71.4163.4-1.7118.3T397R395-T397 PolarHBondContact O-N 2.96Å
396W29.8Very low40.3Very low232 Ų232132.5 Ų132.588%0.87970%0.7SS**  trans-34.9122.2154.4-60.788.8000112.8
397T38.9Very low38.9Very low132 Ų132135 Ų13581%0.8173%0.728SS**  162.180.8127.452.40000108.5R395R395-T397 PolarHBondContact O-N 2.96Å
398D34.7Very low37.8Very low177 Ų177134.1 Ų134.195%0.94773%0.727SS**SBendtrans-165.5129.7148.8-123.2-18.6000111.2
399G32.4Very low36.9Very low60 Ų60137.6 Ų137.662%0.61974%0.741SS**  trans91.722.2164.100000118.6V401G399-V401 PolarHBondContact O-N 3.06Å
400L35.1Very low35.9Very low132 Ų132141.3 Ų141.369%0.69175%0.754SS**  trans-66.9107.3163.9-157.682.7000107.9R402L400-R402 PolarHBondContact O-N 2.85Å
401V38.3Very low35.3Very low100 Ų100145.6 Ų145.661%0.60677%0.771SS**  trans-58.9103.7167.6178.30000106.2G399 Y403G399-V401 PolarHBondContact O-N 3.06Å; V401-Y403 PolarHBondContact O-N 3.28Å
402R33.9Very low34.8Very low231 Ų231148.5 Ų148.587%0.87277%0.767SS**  trans-68.3116.1178.1-71.6-171.9-177.7-177.61.8107.7L400L400-R402 PolarHBondContact O-N 2.85Å
403Y38.4Very low34.9Very low114 Ų114151.3 Ų151.345%0.44777%0.769SS.*  trans-73.2123.1167.5176.8-107.1000108.7K373 V401 P405K373-Y403 HydrophobicContact CG-CE2 4.16Å; V401-Y403 PolarHBondContact O-N 3.28Å; Y403-P405 HydrophobicContact CD1-CB 4.38Å; Y403-P405 HydrophobicContact CE1-CB 3.66Å; Y403-P405 HydrophobicContact CE1-CG 4.35Å
404D37.4Very low35.1Very low131 Ų131144.2 Ų144.270%0.70176%0.756SS**  trans-109.2110172.2-148.6-12.9000108.2V406D404-V406 VanDerWaalsContact C-N 3.28Å; D404-V406 PolarHBondContact O-N 3.47Å
405P40.1Very low35.4Very low89 Ų89146.7 Ų146.758%0.57875%0.754SS**  trans-79.476.1-177.431.5-32.3000110.1Y403Y403-P405 HydrophobicContact CD1-CB 4.38Å; Y403-P405 HydrophobicContact CE1-CB 3.66Å; Y403-P405 HydrophobicContact CE1-CG 4.35Å
406V31.1Very low35.8Very low120 Ų120139.3 Ų139.373%0.72774%0.743SS**  trans-112.4101.5161.8-171.70000107.8D404D404-V406 VanDerWaalsContact C-N 3.28Å; D404-V406 PolarHBondContact O-N 3.47Å
407C39.9Very low36.4Very low154 Ų154130.9 Ų130.9100%1.04173%0.731SS**  trans-129.70161.7-76.90000108C369C369-C407 VanDerWaalsContact CB-SG 3.57Å

Retrieved 407 of 407 residues in 60.8 ms (Link to these results)