A0A077Z3M6_TRITR Loading...

Transcriptional repressor CTCFL

AlphaFold DB , UniProt , Accession A0A077Z3M6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 418 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
1M39.1Very low34.7Very low227 Ų227157.6 Ų157.6100%1.11884%0.839SS**  062.10-55-159.1177.100106.9
2D31.5Very low34.6Very low148 Ų148155.9 Ų155.979%0.79184%0.839SS**  76.7101.787.7-71.6-62000110.8
3S37.9Very low34.3Very low106 Ų106156.5 Ų156.574%0.74183%0.833SS**  155.7103.7119.1-68.70000113.5
4Q36.5Very low33.9Very low185 Ų185157.6 Ų157.686%0.86484%0.84SS**  55.7107.5125.8-58.2-177.127.600121.7
5L36.9Very low33.5Very low146 Ų146155.1 Ų155.176%0.76484%0.835SS**  26.5149.6119.5-87.4154.7000120.4E7L5-E7 HydrophobicContact CD2-CG 4.04Å
6P35.3Very low33.3Very low127 Ų127151.4 Ų151.483%0.82583%0.833SS**  -147.7167.259.835.9-13.4000119.4
7E32.3Very low33.1Very low175 Ų175153.8 Ų153.882%0.81884%0.837SS**  trans-59.9143178.4-64.1169.4120.300114.7L5L5-E7 HydrophobicContact CD2-CG 4.04Å
8K38.4Very low32.8Very low210 Ų210156.6 Ų156.691%0.91384%0.843SS**  trans-133.3119.4153.6-89.8-173.1178.3178.50110.3
9A29.5Very low32.6Very low99 Ų99152.3 Ų152.382%0.81884%0.84SS**  trans-64.4137.2173.300000112.2
10V34.8Very low32.4Very low131 Ų131149.3 Ų149.379%0.79484%0.836SS**  trans-121.7113159.3174.20000107.4
11K29.6Very low32.3Very low180 Ų180146 Ų14678%0.78383%0.828SS**  trans-74.8134.3168.4-69.8173.8172.8-1760108.9
12T33.4Very low32Very low137 Ų137140.1 Ų140.184%0.8481%0.809SS**  trans-134106.9156.720.30000108.2
13E30.7Very low32.2Very low163 Ų163142 Ų14276%0.76281%0.81SS**  trans-81.1132.5174.8-63.9172.8172.700109.1
14N28.5Very low32.1Very low173 Ų173143.3 Ų143.393%0.92581%0.805SS**  trans-105.8118.1166.6-100.4-29000108.2
15P27.6Very low32Very low119 Ų119141.1 Ų141.177%0.77379%0.794SS**  trans-124.1100.716733.6-17.3000110.5
16A30.3Very low31.8Very low97 Ų97138.9 Ų138.980%0.80279%0.791SS**  trans-162.644.6170.800000114
17E30.4Very low31.9Very low191 Ų191135.4 Ų135.489%0.89377%0.77SS**  trans-14065.8169.1-76.5-161.7154.800111.2
18E27.3Very low32Very low204 Ų204134.3 Ų134.395%0.95376%0.759SS**  trans-163.890.6168.1-110.6168.2-153.800109
19G28.5Very low31.7Very low76 Ų76130.1 Ų130.178%0.78475%0.747SS**SBendtrans-172.2-10.3-178.300000118.7
20A30.5Very low32.2Very low92 Ų92131 Ų13176%0.7673%0.734SS**SBendtrans-106.4-7.4-173.800000115.5
21A29.4Very low32.4Very low80 Ų80126.2 Ų126.266%0.66170%0.704SS**SBendtrans-89.5-9.9-167.600000116.1
22S33.2Very low32.8Very low103 Ų103122.1 Ų122.172%0.7269%0.687SS**SBendtrans-94.4-3.4-168.455.50000115.8
23F34.3Very low33Very low187 Ų187117.1 Ų117.182%0.8266%0.663SS**SBendtrans-101.3-12.5-178.3-152.8-102.2000114.1
24E36.9Very low33.4Very low134 Ų134116 Ų11663%0.62666%0.656SS**SBendtrans-92-20.1-177-67.6-167.5139.300114.2S26E24-S26 PolarHBondContact O-N 3.15Å
25Q33.9Very low34Very low139 Ų139110.2 Ų110.265%0.6563%0.625SS**Hα-helixtrans-70.4-28.1-177.5-81.5163.5-22.700114.2S27 Y28Q25-S27 VanDerWaalsContact C-N 3.29Å; Q25-S27 PolarHBondContact O-N 3.26Å; Q25-Y28 WeakPolarHBondContact O-CB 3.28Å; Q25-Y28 PolarHBondContact O-N 3.18Å; Q25-Y28 VanDerWaalsContact O-N 3.15Å
26S33.9Very low34.6Very low99 Ų99110.2 Ų110.269%0.69261%0.614SS**Hα-helixtrans-66.1-26.5-179.4163.30000113.8E24E24-S26 PolarHBondContact O-N 3.15Å
27S36.5Very low35Very low55 Ų55111.5 Ų111.539%0.38561%0.608SS.*Hα-helixtrans-87.1-14.6176-86.50000113.6Q25Q25-S27 VanDerWaalsContact C-N 3.29Å; Q25-S27 PolarHBondContact O-N 3.26Å
28Y34Very low35.7Very low152 Ų152106.2 Ų106.260%0.59659%0.589SS**Hα-helixtrans-75-41.2-179.9-150.5-90000111.3Q25 Q30 L31Q25-Y28 WeakPolarHBondContact O-CB 3.28Å; Q25-Y28 PolarHBondContact O-N 3.18Å; Q25-Y28 VanDerWaalsContact O-N 3.15Å; Y28-Q30 PolarHBondContact O-N 3.44Å; Y28-Q30 VanDerWaalsContact O-N 3.15Å; Y28-L31 PolarHBondContact O-N 3.41Å; Y28-L31 VanDerWaalsContact O-N 3.08Å
29N32.5Very low36.2Very low122 Ų122104.5 Ų104.565%0.65258%0.581SS**Hα-helixtrans-64.6-21.1179.3-63.9-9.5000113.8
30Q40.5Very low36.7Very low118 Ų118109 Ų10955%0.55158%0.581SS**Hα-helixtrans-82.3-13.5178.4-142.9176.530.700113.1Y28 F34Y28-Q30 PolarHBondContact O-N 3.44Å; Y28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-F34 WeakPolarHBondContact O-CD2 3.25Å
31L37.9Very low36.9Very low29 Ų29112.2 Ų112.215%0.15258%0.58CS.*Hα-helixtrans-92.4-33.5175.2-79.5173.8000112.4Y28 G33 F34 L35 L327 R331 I334Y28-L31 PolarHBondContact O-N 3.41Å; Y28-L31 VanDerWaalsContact O-N 3.08Å; L31-G33 VanDerWaalsContact C-N 3.35Å; L31-G33 PolarHBondContact O-N 3.03Å; L31-F34 PolarHBondContact O-N 2.82Å; L31-F34 VanDerWaalsContact O-N 3.08Å; L31-L35 PolarHBondContact O-N 3.31Å; L31-L35 VanDerWaalsContact O-N 3.11Å; L31-L327 HydrophobicContact CD1-CD1 3.76Å; L31-R331 HydrophobicContact CD2-CG 3.97Å; L31-I334 HydrophobicContact CD2-CD1 4.31Å
32E38.6Very low37Very low94 Ų94116.4 Ų116.444%0.43959%0.591SS.*Hα-helixtrans-57.6-47.8174.6-66.3-96.2123.300110.4F34 L35 E36E32-F34 PolarHBondContact O-N 3.22Å; E32-F34 VanDerWaalsContact O-N 3.12Å; E32-L35 PolarHBondContact O-N 3.47Å; E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 3.39Å
33G38.7Very low37.1Very low32 Ų32118.6 Ų118.633%0.3360%0.6SS.*Hα-helixtrans-65.2-16.9175.900000115.2L31 N37L31-G33 VanDerWaalsContact C-N 3.35Å; L31-G33 PolarHBondContact O-N 3.03Å; G33-N37 PolarHBondContact O-ND2 3.37Å
34F38.7Very low36.8Very low141 Ų141112.8 Ų112.862%0.61859%0.593SS**Hα-helixtrans-87.7-23.5171.5-97.7-86.7000112.8Q30 L31 E32 V38Q30-F34 WeakPolarHBondContact O-CD2 3.25Å; L31-F34 PolarHBondContact O-N 2.82Å; L31-F34 VanDerWaalsContact O-N 3.08Å; E32-F34 PolarHBondContact O-N 3.22Å; E32-F34 VanDerWaalsContact O-N 3.12Å; F34-V38 WeakPolarHBondContact O-CG2 3.42Å
35L40.2Very low36.7Very low51 Ų51113.6 Ų113.627%0.26761%0.607SS.*Hα-helixtrans-88.3-35.4178.5-71.9170.1000111.9L31 E32 V38 T318L31-L35 PolarHBondContact O-N 3.31Å; L31-L35 VanDerWaalsContact O-N 3.11Å; E32-L35 PolarHBondContact O-N 3.47Å; L35-V38 PolarHBondContact O-N 3.27Å; L35-T318 HydrophobicContact CD1-CG2 4.35Å
36E40.2Very low36.5Very low118 Ų118117.1 Ų117.155%0.55162%0.62SS**Hα-helixtrans-67.8-34.1177.6-70.3176.5153.700112.4E32 V38 Q39E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 3.39Å; E36-V38 PolarHBondContact O-N 3.39Å; E36-Q39 PolarHBondContact O-N 3.12Å
37N39.4Very low36.5Very low124 Ų124116.1 Ų116.166%0.66363%0.625SS**THydrogen-bonded Turntrans-73.2-10177.3-75.9-32000114.3G33G33-N37 PolarHBondContact O-ND2 3.37Å
38V43.7Very low36.1Very low81 Ų81123 Ų12349%0.49165%0.652SS.*THydrogen-bonded Turntrans-91.7-13.6179.71770000112.1F34 L35 E36 T338F34-V38 WeakPolarHBondContact O-CG2 3.42Å; L35-V38 PolarHBondContact O-N 3.27Å; E36-V38 PolarHBondContact O-N 3.39Å; V38-T338 HydrophobicContact CG2-CG2 4.15Å
39Q39.6Very low36Very low168 Ų168120.8 Ų120.879%0.78567%0.665SS**SBendtrans-87.2-4.5-178.5-67.7-172.6-17.200114.6E36E36-Q39 PolarHBondContact O-N 3.12Å
40H37.5Very low35.8Very low171 Ų171119.8 Ų119.879%0.79267%0.673SS**SBendtrans-116.10.1-174.2-81.2-76.7000116.3
41E35.4Very low35.4Very low158 Ų158123.3 Ų123.374%0.73869%0.689SS**SBendtrans-13986.8179.5-65.2-170.1148.300111.1
42N32.1Very low35.1Very low168 Ų168128.2 Ų128.290%0.89872%0.721SS**  trans-177.487.8142.7-97.4-52.4000110.9
43V34.5Very low34.9Very low150 Ų150130.4 Ų130.491%0.90974%0.74SS**  trans-83.9116162.3172.40000108.1
44G27.8Very low34.5Very low65 Ų65134.7 Ų134.767%0.6776%0.762SS**  trans81.4105.7149.700000117.9
45V35.8Very low34.1Very low150 Ų150136.8 Ų136.891%0.90977%0.771SS**  -158.5126.8117.5173.90000107.9
46K29.8Very low33.9Very low213 Ų213139.5 Ų139.593%0.92679%0.792SS**  trans-73.9147.2178-71.5174.5171.2179.60111.9
47G32.9Very low33.5Very low78 Ų78139.6 Ų139.680%0.80480%0.802SS**  trans178.296.5166.100000112.5
48E28Very low33Very low201 Ų201139.6 Ų139.694%0.93981%0.809SS**  trans-63.8141.5176.9-72.6157.999.700113.7
49A32Very low32.5Very low105 Ų105142.6 Ų142.687%0.86883%0.828SS**  -177.7122.7127.900000109.9
50A27.7Very low32.1Very low100 Ų100141.3 Ų141.383%0.82683%0.832SS**  trans-83145.8-177.900000112.6
51E33Very low31.4Very low193 Ų193137.8 Ų137.890%0.90283%0.832SS**  trans-154.7125.3142.7-146.2170.616000111.5
52T30.6Very low31.1Very low132 Ų132137.2 Ų137.281%0.8184%0.839SS**  trans-85.9137.5-175.342.20000112.1
53V34.6Very low31Very low140 Ų140134.3 Ų134.385%0.84883%0.832SS**  trans-128.7128.8165.1-178.40000109.8
54P31.6Very low30.6Very low121 Ų121133 Ų13379%0.78683%0.827SS**PPolyproline II helixtrans-89.6158.7-17136-34.2000113.9
55K29.7Very low30.8Very low185 Ų185137 Ų13780%0.80484%0.838SS**PPolyproline II helixtrans-95.7141.7-178-175.7-174.7-178.3-174.80111.2
56P35.6Very low30.3Very low109 Ų109137.6 Ų137.671%0.70884%0.836SS**PPolyproline II helixtrans-86.8152.8169.832.7-31000113.1
57P32.6Very low30.1Very low119 Ų119130.9 Ų130.977%0.77383%0.827SS**PPolyproline II helixtrans-88.4168.8-171.637-35.3000113.8
58P29.4Very low30Very low125 Ų125132.7 Ų132.781%0.81283%0.825SS**PPolyproline II helixtrans-93.4151.8-173.436.8-30.4000112.7
59T32.7Very low29.9Very low144 Ų144128.2 Ų128.288%0.88382%0.815SS**  trans-117145.8168.417.10000112.1
60T29.9Very low29.6Very low141 Ų141129.7 Ų129.787%0.86581%0.814SS**  trans-88.2162.9-158.932.90000115.3
61A24.4Very low29.4Very low96 Ų96129.3 Ų129.379%0.79381%0.805SS**  trans-69.8157.9-17600000115.6
62V29.3Very low29Very low147 Ų147128.5 Ų128.589%0.89180%0.804SS**  trans-139.7139.2155.1-163.90000109.4
63S29.2Very low28.7Very low107 Ų107126.3 Ų126.375%0.74880%0.799SS**  trans-80171.8-163-58.50000116.6
64P27Very low28.2Very low122 Ų122128.5 Ų128.579%0.79280%0.8SS**  trans-99.4168.8-170.138.8-29.6000113.5
65V30.6Very low28.1Very low149 Ų149127.6 Ų127.690%0.90379%0.794SS**  trans-137140.8172.9-121.50000111.3
66D26.1Very low27.8Very low162 Ų162125.2 Ų125.287%0.86679%0.794SS**  trans-80.2144.2-164.3-68.6-73.3000118.2
67G25.8Very low27.2Very low72 Ų72125.7 Ų125.774%0.74280%0.8SS**  trans54177.5134.400000123.3
68P30.3Very low26.7Very low117 Ų117124.4 Ų124.476%0.7680%0.8SS**  cis-140.9173.2-37.440.4-23.6000114.8
69S25.5Very low26.5Very low106 Ų106129.7 Ų129.774%0.74181%0.805SS**  trans55.2132.1156.32.20000120
70T25.7Very low26Very low136 Ų136132.4 Ų132.483%0.83481%0.805SS**  -179.4154.289.4-55.90000110.9
71S23.6Very low25.8Very low92 Ų92134.2 Ų134.264%0.64380%0.801SS**  trans-75.1167.8-173.958.60000118.6
72M24.8Very low25.9Very low177 Ų177136.8 Ų136.887%0.87280%0.796SS**  trans112.7118.5144.8-65.6-86-174.400118.8
73A23.8Very low25.8Very low85 Ų85137.6 Ų137.670%0.70280%0.795SS**  trans68108.7137.800000123.5
74Q25.6Very low25.8Very low187 Ų187135.7 Ų135.787%0.87479%0.793SS**  51.5162.5122.8-70.6-162.2-45.600122.4
75P29.1Very low25.8Very low102 Ų102137.7 Ų137.766%0.66280%0.797SS**  -135.1-179.6-62.134.7-13.4000113.8
76V22.5Very low25.6Very low134 Ų134138.2 Ų138.281%0.81280%0.795SS**  trans77.8116.2159.5-1590000118.9
77S24.3Very low25.6Very low120 Ų120139.7 Ų139.784%0.83980%0.796SS**  trans-165.4142.8132.215.90000111.7
78A21.9Very low25.7Very low92 Ų92140.8 Ų140.876%0.7679%0.788SS**  trans-70.9150.5-169.300000114.4
79Y23.8Very low25.4Very low235 Ų235140.5 Ų140.592%0.92279%0.785SS**  trans-139.1128155.3-104.6-88.9000110.8
80K22.4Very low25.3Very low202 Ų202140 Ų14088%0.87877%0.773SS**  trans-93.1137.1169-95.3-179172.2-178.80109.6
81K26.7Very low25.3Very low179 Ų179139 Ų13978%0.77876%0.759SS**  trans-178.1115.5134.9-109-170161.9-178.20108.5
82E26.1Very low25.3Very low150 Ų150138.4 Ų138.470%0.70175%0.748SS**  77.910991.1-75.9-178.717600113.3
83D28Very low25.3Very low163 Ų163133.2 Ų133.287%0.87273%0.733SS**  trans71.9119.1149.7-53.6-26.2000121.3
84G27.8Very low25.4Very low67 Ų67132.5 Ų132.569%0.69172%0.722SS**  trans136.292.1143.500000117
85N28.3Very low25.3Very low165 Ų165131.2 Ų131.288%0.88272%0.721SS**  trans72.1104.4151.1-55.5-15.9000118.9
86N26.3Very low25.2Very low160 Ų160129 Ų12986%0.85671%0.711SS**  trans-93.9114.6173.8-66.1-24.1000111.6
87E25.9Very low25.4Very low193 Ų193128 Ų12890%0.90271%0.707SS**  trans-111.8115.7153.3-99.2-177158.700107.3
88V26.3Very low25.5Very low94 Ų94129 Ų12957%0.5771%0.708SS**  trans-108119.8177.81790000108.7A123V88-A123 HydrophobicContact CG1-CB 3.72Å
89T24.4Very low25.9Very low112 Ų112128.4 Ų128.469%0.68769%0.692SS**  trans-101.3117.6178.6-24.40000108.7
90L24.6Very low26.1Very low95 Ų95121 Ų12150%0.49767%0.668SS.*  trans-86.9114176.8-96.4142.9000110.5
91Q24.4Very low26.5Very low115 Ų115116.1 Ų116.154%0.53766%0.659SS.*  trans-99.8117.2164.7-78.4-167.4-36.100109.6L283Q91-L283 HydrophobicContact CG-CD2 4.12Å
92I25.4Very low26.8Very low80 Ų80109.9 Ų109.941%0.4164%0.641SS.*  trans-98.8116.6173.4-58.7172.8000108F171I92-F171 HydrophobicContact CD1-CZ 4.44Å
93A23.2Very low27.1Very low68 Ų68108.7 Ų108.756%0.56264%0.637SS**  trans-94.9106.4170.400000109.3N95A93-N95 PolarHBondContact O-N 2.82Å
94C26.3Very low27.5Very low69 Ų69104.8 Ų104.847%0.46662%0.616SS.*  trans-86.4103.7173.2-67.70000110.3
95N23.3Very low27.9Very low160 Ų160109.4 Ų109.486%0.85662%0.619SS**  trans-93.587.2154.7-80.1-14.3000107.3A93A93-N95 PolarHBondContact O-N 2.82Å
96A28.2Very low28.2Very low56 Ų56108.8 Ų108.846%0.46361%0.611SS.*  trans-129147.3177.300000110.2
97P26.2Very low28.5Very low112 Ų112103.7 Ų103.773%0.72759%0.592SS**  trans-61.9147.5-169.726-33.9000111.5I99P97-I99 PolarHBondContact O-N 3.23Å
98V26.3Very low28.5Very low141 Ų14199.5 Ų99.586%0.85558%0.579SS**  trans-59.2100.4176.5-179.80000109N100V98-N100 PolarHBondContact O-N 3.36Å
99I30.7Very low28.5Very low81 Ų81104.5 Ų104.542%0.41560%0.599SS.*  trans-80.8110.6169.5-55.7169.5000106.1P97 M103 L104 I113P97-I99 PolarHBondContact O-N 3.23Å; I99-M103 HydrophobicContact CG2-CB 4.43Å; I99-L104 HydrophobicContact CG2-CD1 3.87Å; I99-I113 HydrophobicContact CD1-CD1 4.49Å
100N28.5Very low28.7Very low80 Ų80102.8 Ų102.843%0.42860%0.603SS.*  trans-73.2154.9173.963.823.1000110.2V98 A102 M103V98-N100 PolarHBondContact O-N 3.36Å; N100-A102 PolarHBondContact O-N 3.43Å; N100-A102 VanDerWaalsContact O-N 3.14Å; N100-M103 PolarHBondContact O-N 3.04Å; N100-M103 VanDerWaalsContact OD1-CB 3.29Å; N100-M103 WeakPolarHBondContact OD1-CB 3.48Å; N100-M103 WeakPolarHBondContact OD1-CG 3.5Å; N100-M103 PolarHBondContact OD1-N 3.27Å
101S30.9Very low29.1Very low99 Ų99104.2 Ų104.269%0.69261%0.607SS**Hα-helixtrans-56.8-27.6178.3410000113.1L104 Q105S101-L104 PolarHBondContact O-N 3.13Å; S101-Q105 PolarHBondContact O-N 3.18Å
102A32.4Very low29.4Very low48 Ų48105.4 Ų105.440%0.39761%0.613SS.*Hα-helixtrans-69.3-36.9178.200000113.8N100 L104N100-A102 PolarHBondContact O-N 3.43Å; N100-A102 VanDerWaalsContact O-N 3.14Å; A102-L104 VanDerWaalsContact C-N 3.35Å
103M32.9Very low29.7Very low125 Ų125104.9 Ų104.962%0.61661%0.61SS**Hα-helixtrans-75-25.1177.5-74.7-175.187.700112.5I99 N100I99-M103 HydrophobicContact CG2-CB 4.43Å; N100-M103 PolarHBondContact O-N 3.04Å; N100-M103 VanDerWaalsContact OD1-CB 3.29Å; N100-M103 WeakPolarHBondContact OD1-CB 3.48Å; N100-M103 WeakPolarHBondContact OD1-CG 3.5Å; N100-M103 PolarHBondContact OD1-N 3.27Å
104L35.4Very low30.1Very low81 Ų81108 Ų10842%0.42462%0.616SS.*Hα-helixtrans-77.5-31.3176.4-141.581.6000112.5I99 S101 A102 Q106I99-L104 HydrophobicContact CG2-CD1 3.87Å; S101-L104 PolarHBondContact O-N 3.13Å; A102-L104 VanDerWaalsContact C-N 3.35Å; L104-Q106 VanDerWaalsContact C-N 3.28Å; L104-Q106 PolarHBondContact O-N 3.01Å
105Q36.4Very low30.4Very low164 Ų164108 Ų10877%0.76661%0.614SS**Hα-helixtrans-74.4-15.5175.5-76.5177.4-20.500113.7S101S101-Q105 PolarHBondContact O-N 3.18Å
106Q35.5Very low30.6Very low151 Ų151104.3 Ų104.371%0.70660%0.599SS**THydrogen-bonded Turntrans-102.20.4-179.3-69.4-179.1-7.300113.9L104 T108L104-Q106 VanDerWaalsContact C-N 3.28Å; L104-Q106 PolarHBondContact O-N 3.01Å; Q106-T108 VanDerWaalsContact C-N 3.32Å; Q106-T108 PolarHBondContact O-N 3.37Å
107A30.9Very low30.7Very low54 Ų54106.3 Ų106.345%0.44660%0.601SS.*  trans-73.285.9178.200000110.6
108T27.2Very low30.8Very low104 Ų104104 Ų10464%0.63859%0.591SS**  trans-55.2140.1168.147.70000110.6Q106 G110Q106-T108 VanDerWaalsContact C-N 3.32Å; Q106-T108 PolarHBondContact O-N 3.37Å; T108-G110 PolarHBondContact O-N 3.28Å
109M25.9Very low31.1Very low200 Ų200102.1 Ų102.199%0.98557%0.573SS**THydrogen-bonded Turntrans-38.1122.4-176.6-60.2-158.79200113.1
110G28.3Very low31.1Very low75 Ų75104.1 Ų104.177%0.77359%0.585SS**THydrogen-bonded Turntrans112.65.2170.800000116.9T108T108-G110 PolarHBondContact O-N 3.28Å
111Q32.6Very low31.1Very low125 Ų125104.2 Ų104.258%0.58460%0.596SS**PPolyproline II helixtrans-84128.5176.6-72-176.1-19.100112.7
112Q32Very low31.1Very low141 Ų141107 Ų10766%0.65960%0.603SS**PPolyproline II helixtrans-93.9135.5176.8-62163.8-5.200108.8L133Q112-L133 HydrophobicContact CB-CD2 4.36Å; Q112-L133 HydrophobicContact CG-CD2 3.91Å; Q112-L133 VanDerWaalsContact NE2-CD2 3.27Å
113I31.9Very low31Very low68 Ų68106.8 Ų106.835%0.34960%0.602SS.*PPolyproline II helixtrans-101.2131.4175.3-58.2-173.6000109.5I99 V115 L136I99-I113 HydrophobicContact CD1-CD1 4.49Å; I113-V115 HydrophobicContact CG2-CG2 4.25Å; I113-L136 HydrophobicContact CD1-CD1 3.5Å; I113-L136 HydrophobicContact CG1-CD1 3.9Å
114L30.6Very low31.1Very low134 Ų134105.5 Ų105.570%0.70260%0.597SS**PPolyproline II helixtrans-82.5118.7174.5-145.289000109.3T131L114-T131 HydrophobicContact CD1-CG2 3.51Å; L114-T131 HydrophobicContact CG-CG2 4.15Å
115V32.1Very low30.9Very low68 Ų68106.1 Ų106.141%0.41262%0.623SS.*  trans-117.8113.3174.7-1750000109.6I113I113-V115 HydrophobicContact CG2-CG2 4.25Å
116P28.4Very low30.7Very low84 Ų84106 Ų10655%0.54562%0.617SS.*  trans-74.1131.5173.628.3-30.4000110.5
117I29.7Very low30.4Very low97 Ų97107 Ų10750%0.49762%0.621SS.*  trans-99119.2175.1-54173.1000108
118A27.9Very low30.2Very low63 Ų63110.4 Ų110.452%0.52164%0.642SS.*  trans-106.5118.7171.100000109.7
119H33.7Very low30.4Very low103 Ų103109 Ų10948%0.47765%0.648SS.*PPolyproline II helixtrans-93.4140177.6-102-95.4000111.8
120N30.3Very low30.5Very low123 Ų123102.5 Ų102.566%0.65862%0.622SS**PPolyproline II helixtrans-74.3141.6159-142.9-15.8000107.8
121A28.5Very low30.6Very low81 Ų81103.4 Ų103.467%0.66961%0.613SS**SBendtrans-57.6141178.100000109.5
122D30.4Very low30.5Very low157 Ų157100.8 Ų100.884%0.8461%0.606SS**SBendtrans99.5112.4-177.6-44.9-22.6000113
123A31Very low30.5Very low45 Ų4599.5 Ų99.537%0.37260%0.603SS.*SBendtrans88.9117.3179.200000117.3V88V88-A123 HydrophobicContact CG1-CB 3.72Å
124N33.8Very low30.6Very low98 Ų9898.9 Ų98.952%0.52460%0.599SS.*  trans88.676.6155.9-46.3-25000117.6Y126N124-Y126 PolarHBondContact O-N 3.37Å
125G32.1Very low30.6Very low93 Ų9397.6 Ų97.696%0.95960%0.599SS**  41.53128.900000124.2
126Y32.1Very low30.9Very low163 Ų16398.1 Ų98.164%0.63960%0.599SS**PPolyproline II helixtrans-103.7130.3179.2-73.3-86000110.4N124N124-Y126 PolarHBondContact O-N 3.37Å
127Q28.3Very low31.3Very low171 Ų17199.5 Ų99.580%0.79961%0.606SS**PPolyproline II helixtrans-70.7141.1174.1-68.3-165.8-11.800110.4G129 S130Q127-G129 PolarHBondContact O-N 3.35Å; Q127-S130 PolarHBondContact O-OG 3.4Å; Q127-S130 VanDerWaalsContact O-OG 3.09Å
128S28.5Very low31.9Very low126 Ų12698.4 Ų98.488%0.88161%0.605SS**THydrogen-bonded Turntrans-50.7133.5173.663.80000111.2
129G29.5Very low32.4Very low75 Ų75100.5 Ų100.577%0.77361%0.608SS**THydrogen-bonded Turntrans100.710.517600000115.9Q127 T131Q127-G129 PolarHBondContact O-N 3.35Å; G129-T131 PolarHBondContact O-N 2.98Å
130S29.6Very low32.7Very low62 Ų62100.3 Ų100.343%0.43461%0.614SS.*  trans-71.6126.6176-60.80000111.5Q127Q127-S130 PolarHBondContact O-OG 3.4Å; Q127-S130 VanDerWaalsContact O-OG 3.09Å
131T30Very low33.1Very low94 Ų9497.1 Ų97.158%0.57760%0.596SS**  trans-99.5129.1177.8-56.10000109.1L114 G129L114-T131 HydrophobicContact CD1-CG2 3.51Å; L114-T131 HydrophobicContact CG-CG2 4.15Å; G129-T131 PolarHBondContact O-N 2.98Å
132V31.3Very low33.3Very low71 Ų71100 Ų10043%0.4361%0.608SS.*  trans-115.5129.4174.8-175.70000109.8
133L30.9Very low33.6Very low114 Ų11498.3 Ų98.360%0.59760%0.599SS**  trans-82.1124.3174.8-83.5133.3000110.3Q112Q112-L133 HydrophobicContact CB-CD2 4.36Å; Q112-L133 HydrophobicContact CG-CD2 3.91Å; Q112-L133 VanDerWaalsContact NE2-CD2 3.27Å
134L33.9Very low33.7Very low54 Ų5498.2 Ų98.228%0.28360%0.602SS.*  trans-125124.1176.2-75.5161.8000111.2L150L134-L150 HydrophobicContact CD1-CD2 3.57Å; L134-L150 HydrophobicContact CD2-CD2 3.58Å; L134-L150 HydrophobicContact CG-CD2 4.19Å
135P31.7Very low33.7Very low107 Ų10793.8 Ų93.870%0.69558%0.579SS**  trans-77123.7169.829.2-29.4000110.2
136L38.1Very low33.9Very low79 Ų7993 Ų9341%0.41455%0.548SS..  trans-88.5111.3173.1-77.3162000109.8I113 V148I113-L136 HydrophobicContact CD1-CD1 3.5Å; I113-L136 HydrophobicContact CG1-CD1 3.9Å; L136-V148 HydrophobicContact CD2-CG1 3.81Å; L136-V148 HydrophobicContact CD2-CG2 3.82Å
137V37.1Very low34Very low114 Ų11489.1 Ų89.169%0.69154%0.536SS*.  trans-108.3102.2155.4-176.70000106.5N139V137-N139 PolarHBondContact O-N 3.43Å
138P42.3Very low34.3Very low74 Ų7482.8 Ų82.848%0.48151%0.508SS..PPolyproline II helixtrans-77.2117.6176.427.2-28.6000110Y146P138-Y146 HydrophobicContact CB-CD1 4.02Å
139N37.5Very low34.6Very low106 Ų10683.6 Ų83.657%0.56750%0.502SS*.EExtended strand (participates in β ladder)trans-84.3120.1158.4-89.4-18.8000107.8V137 Y146 E147V137-N139 PolarHBondContact O-N 3.43Å; N139-Y146 WeakPolarHBondContact O-CA 3.32Å; N139-E147 HydrophobicContact CB-CB 4.31Å; N139-E147 PolarHBondContact N-O 3.35Å; N139-E147 PolarHBondContact O-N 3.02Å
140V39.4Very low34.8Very low100 Ų10082.7 Ų82.761%0.60648%0.479SS*.EExtended strand (participates in β ladder)trans-88.3119.4178-176.10000108.8Y146V140-Y146 HydrophobicContact CG2-CD1 4.03Å; V140-Y146 HydrophobicContact CG2-CE1 3.91Å
141L39.9Very low34.8Very low55 Ų5583.7 Ų83.729%0.28849%0.486SS..PPolyproline II helixtrans-81.8157.1174.9-74167.1000111.1D143 G144 S145 E147L141-D143 VanDerWaalsContact CB-OD1 3.3Å; L141-D143 WeakPolarHBondContact CB-OD1 3.44Å; L141-D143 PolarHBondContact O-N 3.12Å; L141-G144 PolarHBondContact O-N 2.93Å; L141-S145 WeakPolarHBondContact CB-OG 3.44Å; L141-S145 WeakPolarHBondContact CD1-OG 3.35Å; L141-S145 PolarHBondContact N-O 2.87Å; L141-E147 HydrophobicContact CD1-CG 3.83Å; L141-E147 HydrophobicContact CG-CG 4.33Å
142P32.7Very low34.7Very low141 Ų14182.7 Ų82.792%0.91650%0.495SS*.THydrogen-bonded Turntrans-60.9-16.4-176.8-22.432.7000115.3
143D36.2Very low34.7Very low122 Ų12285.1 Ų85.165%0.65250%0.504SS*.THydrogen-bonded Turntrans-95.14.1179.564.2-3.7000113.2L141 S145L141-D143 VanDerWaalsContact CB-OD1 3.3Å; L141-D143 WeakPolarHBondContact CB-OD1 3.44Å; L141-D143 PolarHBondContact O-N 3.12Å; D143-S145 WeakPolarHBondContact OD1-CB 3.45Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.23Å; D143-S145 PolarHBondContact OD2-OG 2.9Å
144G33.5Very low34.7Very low43 Ų4386.6 Ų86.644%0.44351%0.513SS..SBendtrans84.26.7-178.600000114.5L141L141-G144 PolarHBondContact O-N 2.93Å
145S34.2Very low34.5Very low5 Ų590.4 Ų90.44%0.03553%0.532CS..  trans-83.2157.4172.666.20000112.3L141 D143L141-S145 WeakPolarHBondContact CB-OG 3.44Å; L141-S145 WeakPolarHBondContact CD1-OG 3.35Å; L141-S145 PolarHBondContact N-O 2.87Å; D143-S145 WeakPolarHBondContact OD1-CB 3.45Å; D143-S145 PolarHBondContact OD1-N 3.2Å; D143-S145 PolarHBondContact OD1-OG 3.23Å; D143-S145 PolarHBondContact OD2-OG 2.9Å
146Y35.8Very low34.4Very low76 Ų7690.5 Ų90.530%0.29853%0.533SS..EExtended strand (participates in β ladder)trans-115.9132.8179.5-54.8-90.7000110.1P138 N139 V140P138-Y146 HydrophobicContact CB-CD1 4.02Å; N139-Y146 WeakPolarHBondContact O-CA 3.32Å; V140-Y146 HydrophobicContact CG2-CD1 4.03Å; V140-Y146 HydrophobicContact CG2-CE1 3.91Å
147E32.8Very low33.8Very low83 Ų8395.8 Ų95.839%0.38856%0.556SS.*EExtended strand (participates in β ladder)trans-93.1128.1166.4-68.6-172.3154.900109.9N139 L141N139-E147 HydrophobicContact CB-CB 4.31Å; N139-E147 PolarHBondContact N-O 3.35Å; N139-E147 PolarHBondContact O-N 3.02Å; L141-E147 HydrophobicContact CD1-CG 3.83Å; L141-E147 HydrophobicContact CG-CG 4.33Å
148V35.4Very low33.3Very low38 Ų3899.3 Ų99.323%0.2357%0.565CS.*  trans-117113170.8-179.30000108.2L136 L150L136-V148 HydrophobicContact CD2-CG1 3.81Å; L136-V148 HydrophobicContact CD2-CG2 3.82Å; V148-L150 PolarHBondContact O-N 2.95Å
149L34Very low32.6Very low142 Ų142104.3 Ų104.374%0.74358%0.581SS**  trans-86.5107.4177.2-144.8107.2000109.7S151L149-S151 PolarHBondContact O-N 3.06Å
150L33.9Very low31.9Very low57 Ų57108.5 Ų108.530%0.29860%0.598SS.*  trans-74.989.7174.5-66.6173.4000110.1L134 V148 F171L134-L150 HydrophobicContact CD1-CD2 3.57Å; L134-L150 HydrophobicContact CD2-CD2 3.58Å; L134-L150 HydrophobicContact CG-CD2 4.19Å; V148-L150 PolarHBondContact O-N 2.95Å; L150-F171 HydrophobicContact CD1-CD2 3.95Å; L150-F171 HydrophobicContact CD1-CE2 3.63Å
151S29.8Very low31.3Very low82 Ų82110.2 Ų110.257%0.57361%0.608SS**  trans-94.2118170.4-510000108.9L149L149-S151 PolarHBondContact O-N 3.06Å
152G29.2Very low30.5Very low74 Ų74116.4 Ų116.476%0.76364%0.636SS**  trans137.13.7171.400000118N154G152-N154 PolarHBondContact O-N 2.94Å; G152-N154 VanDerWaalsContact O-N 3.1Å
153L31Very low30.1Very low121 Ų121117.3 Ų117.363%0.63463%0.633SS**  trans-74.8100.2172.5-72.4168.6000110.1I155L153-I155 PolarHBondContact O-N 3.31Å; L153-I155 VanDerWaalsContact O-N 3.16Å
154N29.6Very low29.5Very low145 Ų145116 Ų11678%0.77564%0.639SS**  trans-80.189.7174.9-155.8-18.8000109.1G152G152-N154 PolarHBondContact O-N 2.94Å; G152-N154 VanDerWaalsContact O-N 3.1Å
155I31Very low29.2Very low134 Ų134121.4 Ų121.469%0.68766%0.658SS**PPolyproline II helixtrans-80.4123.9174.7-57.7171.1000107.4L153 Q157L153-I155 PolarHBondContact O-N 3.31Å; L153-I155 VanDerWaalsContact O-N 3.16Å; I155-Q157 PolarHBondContact O-N 3.31Å
156P28.1Very low28.8Very low110 Ų110133.3 Ų133.371%0.71470%0.702SS**PPolyproline II helixtrans-61.8121.9-176.86.8-6.5000111.2Q158P156-Q158 PolarHBondContact O-N 3.14Å
157Q25.6Very low28.4Very low189 Ų189134.8 Ų134.888%0.88372%0.724SS**PPolyproline II helixtrans-69.3118.3172.8-74.2179.5-25.400110.4I155I155-Q157 PolarHBondContact O-N 3.31Å
158Q27.6Very low28.2Very low189 Ų189133.8 Ų133.888%0.88373%0.729SS**  trans-140.4118.1149.6-76-159-33.100112.3P156P156-Q158 PolarHBondContact O-N 3.14Å
159Q27.1Very low28Very low178 Ų178135.4 Ų135.483%0.83274%0.736SS**  trans63.7100.9157.9-104.3162.6-17.400121.1V161Q159-V161 PolarHBondContact O-N 3.32Å
160E23.1Very low27.9Very low194 Ų194132.5 Ų132.591%0.90772%0.721SS**  trans-2.7104.3153.5-73.9173.3137.500117.1
161V25.9Very low27.9Very low137 Ų137131.7 Ų131.783%0.8372%0.715SS**  trans-120.1123146.9-179.90000107Q159 N163Q159-V161 PolarHBondContact O-N 3.32Å; V161-N163 PolarHBondContact O-N 3.31Å
162Q23.6Very low27.9Very low184 Ų184131.1 Ų131.186%0.8671%0.705SS**SBendtrans-5999.2179.5-66.6-177-1400110.7
163N25Very low28.1Very low160 Ų160130.1 Ų130.186%0.85668%0.681SS**  trans-175.6111.7142.2-94.2-22.3000108.3V161 N165V161-N163 PolarHBondContact O-N 3.31Å; N163-N165 PolarHBondContact O-N 2.94Å
164A23.7Very low28.1Very low95 Ų95129.6 Ų129.679%0.78568%0.68SS**  trans-60.7122.6177.500000110.7
165N26.5Very low28.1Very low157 Ų157125.7 Ų125.784%0.8467%0.674SS**  trans-163.2109.1149.4-88.5-28.9000108.8N163 S167N163-N165 PolarHBondContact O-N 2.94Å; N165-S167 PolarHBondContact O-N 2.8Å
166R26.2Very low28.1Very low254 Ų254126 Ų12696%0.95868%0.677SS**PPolyproline II helixtrans-74.5116.1170.1-77.4177.7164.1167.2-4.9108.3A168R166-A168 PolarHBondContact O-N 3.11Å
167S28.4Very low28.2Very low108 Ų108130.1 Ų130.176%0.75569%0.686SS**PPolyproline II helixtrans-78.7116.3176.4-49.20000110.6N165N165-S167 PolarHBondContact O-N 2.8Å
168A28.4Very low28.3Very low61 Ų61129.8 Ų129.850%0.50469%0.685SS.*PPolyproline II helixtrans-101.6132.3167.100000109.1R166R166-A168 PolarHBondContact O-N 3.11Å
169L31.1Very low28.3Very low72 Ų72129.4 Ų129.438%0.37768%0.683SS.*  trans-84.6115.5170.5-90.2158.1000108.5F171 P185L169-F171 HydrophobicContact CB-CE2 4.27Å; L169-F171 HydrophobicContact CD2-CZ 4.47Å; L169-P185 HydrophobicContact CD2-CB 3.85Å
170I30.8Very low28.2Very low82 Ų82132.1 Ų132.142%0.42169%0.686SS.*EExtended strand (participates in β ladder)trans-101126.9172-58.7174.2000107.6V186I170-V186 PolarHBondContact O-N 3.43Å
171F33.5Very low28.4Very low39 Ų39127.1 Ų127.117%0.17167%0.668CS.*EExtended strand (participates in β ladder)trans-108124.1171.3-69.6-76.1000109.1I92 L150 L169 V183 M184 P185I92-F171 HydrophobicContact CD1-CZ 4.44Å; L150-F171 HydrophobicContact CD1-CD2 3.95Å; L150-F171 HydrophobicContact CD1-CE2 3.63Å; L169-F171 HydrophobicContact CB-CE2 4.27Å; L169-F171 HydrophobicContact CD2-CZ 4.47Å; F171-V183 HydrophobicContact CB-CG1 4.36Å; F171-V183 HydrophobicContact CD1-CG1 3.21Å; F171-V183 HydrophobicContact CE1-CG1 3.63Å; F171-V183 HydrophobicContact CG-CG1 4Å; F171-M184 WeakPolarHBondContact CD1-O 3.36Å; F171-P185 HydrophobicContact CE1-CB 4.08Å
172L30.2Very low28.5Very low70 Ų70123.5 Ų123.537%0.36665%0.649SS.*EExtended strand (participates in β ladder)trans-96.8123.9169.7-68.8169.3000108.8
173I33.1Very low28.8Very low53 Ų53118 Ų11827%0.27263%0.627SS.*EExtended strand (participates in β ladder)trans-106.5106.9175.7-59.4178.1000107.4V181I173-V181 HydrophobicContact CG2-CG1 3.86Å
174N31.6Very low29.1Very low111 Ų111113.3 Ų113.359%0.59460%0.601SS**  trans-90.1113.5171.9-71.2-17.3000109.2
175G30.7Very low29.6Very low63 Ų63112 Ų11265%0.64958%0.584SS**  trans-94104.517200000110.6
176N29.7Very low29.8Very low141 Ų141107.2 Ų107.275%0.75456%0.561SS**  trans-99.2138.6160.5-72.61.9000108.4E178N176-E178 PolarHBondContact O-N 3.23Å
177E30.4Very low30.1Very low196 Ų196100.2 Ų100.292%0.91655%0.547SS*.SBendtrans-57.4118.8170.8-58.4-177.3160.200107.8
178E28.3Very low30.1Very low182 Ų18298.2 Ų98.285%0.8553%0.53SS*.SBendtrans78.6110.3-174.2-49.4-171.8153.600116N176N176-E178 PolarHBondContact O-N 3.23Å
179E27Very low30.2Very low181 Ų181101.1 Ų101.185%0.84654%0.541SS*.SBendtrans78112.3164.5-59.3-167.2140.700120.2
180R25.3Very low30Very low235 Ų235104.4 Ų104.489%0.88756%0.56SS**  trans68101.5158.5-62.5-174.8173.9-153.5-3.1117.8S182R180-S182 PolarHBondContact O-N 3.45Å
181V27.2Very low29.9Very low89 Ų89108 Ų10854%0.53958%0.579SS.*  trans-62.5115.5159.3178.40000109.4I173 V183I173-V181 HydrophobicContact CG2-CG1 3.86Å; V181-V183 HydrophobicContact CG1-CG2 4.01Å
182S28.8Very low29.7Very low61 Ų61113.3 Ų113.343%0.42761%0.609SS.*  trans-98.8113.4171.3-174.30000109.1R180R180-S182 PolarHBondContact O-N 3.45Å
183V29.8Very low29.6Very low67 Ų67117.1 Ų117.141%0.40663%0.625SS.*EExtended strand (participates in β ladder)trans-95.3120.5174.4-178.10000107.9F171 V181F171-V183 HydrophobicContact CB-CG1 4.36Å; F171-V183 HydrophobicContact CD1-CG1 3.21Å; F171-V183 HydrophobicContact CE1-CG1 3.63Å; F171-V183 HydrophobicContact CG-CG1 4Å; V181-V183 HydrophobicContact CG1-CG2 4.01Å
184M31Very low29.2Very low63 Ų63120.4 Ų120.431%0.3165%0.65SS.*EExtended strand (participates in β ladder)trans-120128.8177.7-57.8-159.699.800110.9F171 V277F171-M184 WeakPolarHBondContact CD1-O 3.36Å; M184-V277 HydrophobicContact CE-CG1 3.86Å
185P33.3Very low29.2Very low66 Ų66122 Ų12243%0.42966%0.658SS.*EExtended strand (participates in β ladder)trans-75.3129.6171.229.3-30.8000110.3L169 F171L169-P185 HydrophobicContact CD2-CB 3.85Å; F171-P185 HydrophobicContact CE1-CB 4.08Å
186V31.1Very low29.1Very low57 Ų57127.7 Ų127.735%0.34567%0.668SS.*EExtended strand (participates in β ladder)trans-99.1125.1169.1-174.60000108.7I170I170-V186 PolarHBondContact O-N 3.43Å
187T31.8Very low28.9Very low108 Ų108125.2 Ų125.266%0.66367%0.667SS**PPolyproline II helixtrans-87.2127.3167.537.50000109.8T189T187-T189 PolarHBondContact O-N 3.45Å; T187-T189 VanDerWaalsContact O-N 3.12Å
188T28.3Very low28.8Very low65 Ų65124.1 Ų124.140%0.39967%0.666SS.*  trans-78.191.6175.649.80000110.5
189T31.1Very low28.7Very low122 Ų122119.2 Ų119.275%0.74866%0.656SS**  trans-127.3114.9163.942.10000110.2T187T187-T189 PolarHBondContact O-N 3.45Å; T187-T189 VanDerWaalsContact O-N 3.12Å
190N27.7Very low28.6Very low142 Ų142116.1 Ų116.176%0.75966%0.661SS**  trans70.959.3173.8-89.2-69000119.2N192N190-N192 VanDerWaalsContact C-N 3.29Å; N190-N192 PolarHBondContact O-N 3.35Å
191L28.4Very low28.7Very low158 Ų158109 Ų10983%0.82765%0.653SS**  trans-80.175.3148.7-83.2154.2000108.9
192N28.4Very low29.1Very low150 Ų150109.2 Ų109.280%0.80266%0.659SS**  trans-17751.3164.4-98.2-23.1000113.8N190N190-N192 VanDerWaalsContact C-N 3.29Å; N190-N192 PolarHBondContact O-N 3.35Å
193Q28.4Very low29.3Very low149 Ų149108.9 Ų108.970%0.69666%0.656SS**  trans-141115.6157.7-73.6-166.6-16.100110.5N195Q193-N195 PolarHBondContact O-N 3.28Å
194P25.5Very low29.4Very low123 Ų123108.4 Ų108.480%0.79966%0.659SS**  trans-80.9102.616732-25000107.1
195N31.4Very low29.6Very low145 Ų145111.2 Ų111.278%0.77568%0.675SS**  trans-94.1100.8165.7-85.4-22.7000108.7Q193Q193-N195 PolarHBondContact O-N 3.28Å
196E28.5Very low29.3Very low181 Ų181112.5 Ų112.585%0.84668%0.682SS**  trans-58.9141165.9-66-178.6138.400111.7
197A26.4Very low29.1Very low89 Ų89117.6 Ų117.674%0.73671%0.705SS**  trans50.9106.8148.300000118.9
198I27.5Very low28.9Very low174 Ų174119.1 Ų119.189%0.89271%0.708SS**  -172.9127.9122.8-87.1145.6000109
199A26.5Very low28.7Very low79 Ų79120 Ų12065%0.65373%0.73SS**  trans82.777165.900000118.9A201A199-A201 PolarHBondContact O-N 3.27Å
200A24.4Very low28.6Very low115 Ų115118.1 Ų118.195%0.9573%0.727SS**  trans-58.496.5151.200000111.1
201A28.2Very low28.5Very low86 Ų86118.6 Ų118.671%0.71174%0.735SS**  trans-166.7102.6158.800000105.9A199A199-A201 PolarHBondContact O-N 3.27Å
202S35.4Very low28.4Very low94 Ų94116.9 Ų116.966%0.65773%0.731SS**  138.761.472170.70000107.6A204S202-A204 PolarHBondContact O-N 3.44Å
203C31.4Very low28.3Very low54 Ų54115.3 Ų115.337%0.36573%0.732SS.*  trans-88.541149-76.20000109.5N205 E264 C266C203-N205 PolarHBondContact O-N 3.27Å; C203-E264 PolarHBondContact SG-O 3.13Å; C203-C266 WeakPolarHBondContact CB-SG 3.47Å; C203-C266 WeakPolarHBondContact SG-CB 3.45Å; C203-C266 CovalentContact SG-SG 2.07Å; C203-C266 PolarHBondContact SG-SG 3.47Å
204A33.5Very low28.1Very low57 Ų57116.6 Ų116.647%0.47174%0.738SS.*  trans-69.289.3174.800000109.5S202 T206S202-A204 PolarHBondContact O-N 3.44Å; A204-T206 WeakPolarHBondContact CB-OG1 3.5Å; A204-T206 PolarHBondContact O-N 3.3Å
205N33.9Very low28.1Very low122 Ų122116.1 Ų116.165%0.65274%0.735SS**  trans-68.265.7137.2-74.1-8.8000106.9C203 I207C203-N205 PolarHBondContact O-N 3.27Å; N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3.15Å
206T27.8Very low28Very low93 Ų93114.5 Ų114.557%0.57173%0.73SS**  trans-78.186.4177.9-65.80000107.8A204 I208A204-T206 WeakPolarHBondContact CB-OG1 3.5Å; A204-T206 PolarHBondContact O-N 3.3Å; T206-I208 HydrophobicContact CG2-CB 3.66Å; T206-I208 HydrophobicContact CG2-CD1 3.91Å; T206-I208 HydrophobicContact CG2-CG1 3.67Å; T206-I208 PolarHBondContact O-N 2.95Å; T206-I208 VanDerWaalsContact O-N 3.15Å
207I26.6Very low28.2Very low163 Ų163113.4 Ų113.484%0.83674%0.736SS**  trans-74.380.2154.5-54.6173.2000105.7N205N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3.15Å
208I28.3Very low28.4Very low140 Ų140111.4 Ų111.472%0.71872%0.724SS**  trans-137.6119.9168.5-57.9179.1000107.8T206 A210T206-I208 HydrophobicContact CG2-CB 3.66Å; T206-I208 HydrophobicContact CG2-CD1 3.91Å; T206-I208 HydrophobicContact CG2-CG1 3.67Å; T206-I208 PolarHBondContact O-N 2.95Å; T206-I208 VanDerWaalsContact O-N 3.15Å; I208-A210 PolarHBondContact O-N 2.89Å
209G24.1Very low28.8Very low83 Ų83112.8 Ų112.886%0.85672%0.724SS**  trans-57.7122.8-17900000112.3
210A27.7Very low29.4Very low84 Ų84110.6 Ų110.669%0.69471%0.709SS**  trans-139.4120.1155.800000106.2I208 V212I208-A210 PolarHBondContact O-N 2.89Å; A210-V212 VanDerWaalsContact C-N 3.3Å; A210-V212 PolarHBondContact O-N 3.33Å
211T25.5Very low30.5Very low152 Ų152109.1 Ų109.193%0.93369%0.688SS**  trans-62.887.1176.245.20000109.9
212V26.7Very low31.5Very low121 Ų121105.3 Ų105.373%0.73366%0.656SS**SBendtrans-141.5111.9164.4179.60000105.6A210 Q214A210-V212 VanDerWaalsContact C-N 3.3Å; A210-V212 PolarHBondContact O-N 3.33Å; V212-Q214 PolarHBondContact O-N 3.07Å
213S26.7Very low32.4Very low118 Ų118108.4 Ų108.483%0.82565%0.654SS**  trans15.796.1171.6-52.30000116.1P215S213-P215 WeakPolarHBondContact O-CD 3.36Å
214Q24.6Very low33.4Very low175 Ų175109.9 Ų109.982%0.81866%0.664SS**  trans-45.8122.8176.4-64.5178.2-20.400111.9V212 T216V212-Q214 PolarHBondContact O-N 3.07Å; Q214-T216 PolarHBondContact O-N 2.75Å
215P25.9Very low34.5Very low114 Ų114111 Ų11174%0.7466%0.662SS**  trans-71.9110.21486.810.3000105.1S213 T217S213-P215 WeakPolarHBondContact O-CD 3.36Å; P215-T217 PolarHBondContact O-N 3.45Å; P215-T217 VanDerWaalsContact O-N 3.12Å
216T29.3Very low35.8Very low110 Ų110113.7 Ų113.768%0.67568%0.676SS**  trans-46.9123.117751.80000109.2Q214 G218Q214-T216 PolarHBondContact O-N 2.75Å; T216-G218 PolarHBondContact O-N 3.22Å
217T31.6Very low37.5Very low158 Ų158113.8 Ų113.897%0.96968%0.681SS**  trans-66.256.8154.744.10000108.5P215P215-T217 PolarHBondContact O-N 3.45Å; P215-T217 VanDerWaalsContact O-N 3.12Å
218G30.8Very low39.7Very low47 Ų47108.3 Ų108.349%0.48567%0.665SS.*  trans-93.5128.7176.300000107.3T216 G220T216-G218 PolarHBondContact O-N 3.22Å; G218-G220 VanDerWaalsContact C-N 3.32Å; G218-G220 PolarHBondContact O-N 3.22Å
219K36.3Very low42.3Very low203 Ų203104.1 Ų104.188%0.88365%0.645SS**  trans-46.2102.1161.4-68.9171.1178.11750107.2T221K219-T221 PolarHBondContact O-N 2.83Å
220G39.5Very low45.2Very low33 Ų33102.2 Ų102.234%0.3461%0.613SS.*  trans-60102.3-173.800000109.8G218 A222G218-G220 VanDerWaalsContact C-N 3.32Å; G218-G220 PolarHBondContact O-N 3.22Å; G220-A222 PolarHBondContact O-N 3.47Å
221T45.8Very low47.9Very low84 Ų84101.4 Ų101.452%0.51560%0.595SS.*  trans-86110.1176.348.60000107.6K219 R223K219-T221 PolarHBondContact O-N 2.83Å; T221-R223 PolarHBondContact O-N 2.99Å
222A49.9Very low50.7Low6 Ų694.4 Ų94.45%0.0555%0.552CS.*PPolyproline II helixtrans-57.9129.8171.500000109.3G220 S224 F230 R242 V245G220-A222 PolarHBondContact O-N 3.47Å; A222-S224 PolarHBondContact O-N 3.49Å; A222-F230 HydrophobicContact CB-CB 3.83Å; A222-F230 HydrophobicContact CB-CD1 3.82Å; A222-F230 HydrophobicContact CB-CG 4.2Å; A222-R242 HydrophobicContact CB-CG 4.18Å; A222-R242 PolarHBondContact O-NH1 3.43Å; A222-V245 HydrophobicContact CB-CB 4.19Å; A222-V245 HydrophobicContact CB-CG1 3.89Å
223R53.9Low53.4Low160 Ų16092.3 Ų92.360%0.60454%0.535SS*.EExtended strand (participates in β ladder)trans-74.2127.1175.4-65.6-177.9-1551746.9108.1T221 F230 Q231 E233T221-R223 PolarHBondContact O-N 2.99Å; R223-F230 WeakPolarHBondContact O-CA 3.41Å; R223-Q231 PolarHBondContact O-N 2.86Å; R223-E233 IonicContact CZ-OE1 2.87Å; R223-E233 IonicContact NE-OE1 2.77Å; R223-E233 PolarHBondContact NE-OE1 3.34Å; R223-E233 IonicContact NH2-OE1 3.65Å; R223-E233 PolarHBondContact NH2-OE1 2.74Å
224S52.6Low56.1Low84 Ų8492.8 Ų92.859%0.58752%0.522SS*.EExtended strand (participates in β ladder)trans-78.5120.3165.7-1700000106.6A222A222-S224 PolarHBondContact O-N 3.49Å
225I57.5Low59.1Low82 Ų8286.6 Ų86.642%0.42150%0.498SS..EExtended strand (participates in β ladder)trans-88.9150.3159.7-57.7173000105.7S227 G228 V229 Q231I225-S227 PolarHBondContact O-N 3.04Å; I225-G228 PolarHBondContact O-N 2.87Å; I225-V229 PolarHBondContact N-O 3.49Å; I225-Q231 HydrophobicContact CD1-CB 4.5Å; I225-Q231 VanDerWaalsContact CD1-OE1 3.26Å
226D59.8Low62Low177 Ų17788.2 Ų88.295%0.94750%0.5SS*.THydrogen-bonded Turntrans-52.23.9-178.5-81.2-26.7000115.8
227S63.5Low64.7Low96 Ų9686.8 Ų86.867%0.67148%0.483SS*.THydrogen-bonded Turntrans-102.710.8-178.6-440000114.3I225 V229I225-S227 PolarHBondContact O-N 3.04Å; S227-V229 PolarHBondContact O-N 3.41Å
228G73.8Confident67.4Low48 Ų4881.5 Ų81.550%0.49546%0.455SS..THydrogen-bonded Turntrans68.418.7-178.600000113.8I225I225-G228 PolarHBondContact O-N 2.87Å
229V83.2Confident70.1Confident51 Ų5181.2 Ų81.231%0.30944%0.442SS..EExtended strand (participates in β ladder)trans-114.5132.6179.3-170.80000109I225 S227 A238I225-V229 PolarHBondContact N-O 3.49Å; S227-V229 PolarHBondContact O-N 3.41Å; V229-A238 HydrophobicContact CG1-CB 3.64Å
230F84.3Confident72.5Confident43 Ų4374.7 Ų74.719%0.18943%0.426CS..EExtended strand (participates in β ladder)trans-91.7133.7171.5-63-80.6000108.6A222 R223 A238 N239 A240 R242 V245A222-F230 HydrophobicContact CB-CB 3.83Å; A222-F230 HydrophobicContact CB-CD1 3.82Å; A222-F230 HydrophobicContact CB-CG 4.2Å; R223-F230 WeakPolarHBondContact O-CA 3.41Å; F230-A238 CarbonylContact O-C 3.47Å; F230-A238 VanDerWaalsContact O-CA 3.24Å; F230-A238 WeakPolarHBondContact O-CA 3.33Å; F230-N239 WeakPolarHBondContact CB-O 3.37Å; F230-N239 PolarHBondContact N-O 3.5Å; F230-N239 PolarHBondContact O-N 3.16Å; F230-A240 VanDerWaalsContact CD2-O 3.32Å; F230-A240 WeakPolarHBondContact CD2-O 3.39Å; F230-A240 WeakPolarHBondContact CE2-O 3.32Å; F230-R242 HydrophobicContact CD1-CB 3.94Å; F230-R242 HydrophobicContact CD1-CG 3.96Å; F230-R242 VanDerWaalsContact CD2-CA 3.47Å; F230-R242 HydrophobicContact CD2-CB 3.74Å; F230-R242 HydrophobicContact CE1-CB 3.88Å; F230-R242 HydrophobicContact CE1-CG 4.02Å; F230-R242 HydrophobicContact CE2-CB 3.68Å; F230-R242 HydrophobicContact CG-CB 3.87Å; F230-R242 HydrophobicContact CG-CG 4.27Å; F230-R242 HydrophobicContact CZ-CB 3.75Å; F230-R242 HydrophobicContact CZ-CG 4.38Å; F230-V245 HydrophobicContact CB-CB 4.22Å; F230-V245 HydrophobicContact CB-CG2 3.57Å; F230-V245 VanDerWaalsContact O-CG2 3.22Å; F230-V245 WeakPolarHBondContact O-CG2 3.37Å
231Q85Confident74.7Confident67 Ų6778.5 Ų78.531%0.31343%0.434SS..EExtended strand (participates in β ladder)trans-113.5145.9178.2-166.5177.6-3.400111.5R223 I225 A238R223-Q231 PolarHBondContact O-N 2.86Å; I225-Q231 HydrophobicContact CD1-CB 4.5Å; I225-Q231 VanDerWaalsContact CD1-OE1 3.26Å; Q231-A238 HydrophobicContact CB-CB 4.28Å; Q231-A238 HydrophobicContact CG-CB 4.14Å
232C85.1Confident76.6Confident5 Ų579.1 Ų79.13%0.03443%0.427CS..  trans-68141.8168.3178.90000110.3F234 C235 Y237 V245 H248 M249 H252C232-F234 VanDerWaalsContact C-N 3.35Å; C232-F234 PolarHBondContact SG-N 2.91Å; C232-C235 WeakPolarHBondContact CB-O 3.47Å; C232-C235 VanDerWaalsContact O-O 3.08Å; C232-Y237 VanDerWaalsContact CB-O 3.26Å; C232-Y237 WeakPolarHBondContact CB-O 3.43Å; C232-Y237 PolarHBondContact N-O 3.4Å; C232-V245 HydrophobicContact CB-CG1 4.39Å; C232-H248 PolarHBondContact SG-CD2 3.49Å; C232-H248 PolarHBondContact SG-NE2 2.74Å; C232-M249 HydrophobicContact CB-SD 4.12Å; C232-M249 PolarHBondContact SG-SD 3.28Å; C232-H252 VanDerWaalsContact SG-CD2 3.58Å; C232-H252 PolarHBondContact SG-NE2 3.41Å
233E83.1Confident78.4Confident77 Ų7785.3 Ų85.336%0.3645%0.45SS..SBendtrans-84.3-13.6179.6-55.2-171.6120.800113.2R223 M249R223-E233 IonicContact CZ-OE1 2.87Å; R223-E233 IonicContact NE-OE1 2.77Å; R223-E233 PolarHBondContact NE-OE1 3.34Å; R223-E233 IonicContact NH2-OE1 3.65Å; R223-E233 PolarHBondContact NH2-OE1 2.74Å; E233-M249 HydrophobicContact CB-CE 3.83Å; E233-M249 HydrophobicContact CG-CE 3.76Å
234F83.5Confident80Confident129 Ų12978.8 Ų78.857%0.56643%0.427SS*.SBendtrans-111-7.3-173.9-54.9-69.6000113.7C232 M249 H252C232-F234 VanDerWaalsContact C-N 3.35Å; C232-F234 PolarHBondContact SG-N 2.91Å; F234-M249 HydrophobicContact CD2-CE 3.82Å; F234-M249 HydrophobicContact CD2-SD 3.75Å; F234-M249 HydrophobicContact CE2-CE 3.67Å; F234-M249 HydrophobicContact CE2-SD 4.08Å; F234-H252 VanDerWaalsContact CB-CE1 3.44Å; F234-H252 WeakPolarHBondContact CB-CE1 3.49Å; F234-H252 HydrophobicContact CD2-CB 4.15Å; F234-H252 AromaticContact CD2-CD2 3.9Å; F234-H252 AromaticContact CD2-CG 3.94Å
235C86.4Confident81.5Confident45 Ų4574.8 Ų74.830%0.30440%0.399SS..SBendtrans-160.3175.8172.971.30000111.5C232 Y237 H248 H252C232-C235 WeakPolarHBondContact CB-O 3.47Å; C232-C235 VanDerWaalsContact O-O 3.08Å; C235-Y237 PolarHBondContact O-N 3.41Å; C235-Y237 VanDerWaalsContact SG-CB 3.55Å; C235-H248 PolarHBondContact SG-CE1 2.88Å; C235-H248 PolarHBondContact SG-NE2 3.38Å; C235-H252 PolarHBondContact SG-NE2 2.84Å; C235-H252 VanDerWaalsContact SG-NE2 3.41Å
236D87.1Confident82.7Confident147 Ų14773.6 Ų73.679%0.78640%0.395SS*.SBendtrans-74.66-176.5-52.5-40.1000114A238D236-A238 PolarHBondContact O-N 3.19Å
237Y86.3Confident83.7Confident81 Ų8172.6 Ų72.632%0.31838%0.378SS..  trans-64.4121.4177.6-177.1-95.4000110.8C232 C235 N239 V245 H248C232-Y237 VanDerWaalsContact CB-O 3.26Å; C232-Y237 WeakPolarHBondContact CB-O 3.43Å; C232-Y237 PolarHBondContact N-O 3.4Å; C235-Y237 PolarHBondContact O-N 3.41Å; C235-Y237 VanDerWaalsContact SG-CB 3.55Å; Y237-N239 HydrophobicContact CE1-CB 4.1Å; Y237-N239 PolarHBondContact OH-ND2 2.93Å; Y237-V245 HydrophobicContact CE1-CG2 4.28Å; Y237-H248 VanDerWaalsContact CB-CE1 3.47Å; Y237-H248 WeakPolarHBondContact CB-CE1 3.27Å; Y237-H248 WeakPolarHBondContact CB-NE2 3.49Å; Y237-H248 HydrophobicContact CD1-CB 3.66Å; Y237-H248 AromaticContact CD1-CD2 3.5Å; Y237-H248 VanDerWaalsContact CD1-CD2 3.5Å; Y237-H248 WeakPolarHBondContact CD1-CD2 3.46Å; Y237-H248 AromaticContact CD1-CG 3.3Å; Y237-H248 AromaticContact CD1-ND1 3.71Å; Y237-H248 HydrophobicContact CE1-CB 3.58Å; Y237-H248 AromaticContact CE1-CG 3.75Å; Y237-H248 HydrophobicContact CG-CB 4.42Å; Y237-H248 AromaticContact CG-CD2 3.86Å; Y237-H248 AromaticContact CG-CE1 3.71Å; Y237-H248 AromaticContact CG-CG 3.68Å; Y237-H248 AromaticContact CG-ND1 3.58Å; Y237-H248 AromaticContact CG-NE2 3.88Å
238A87.2Confident84.6Confident47 Ų4769.6 Ų69.639%0.38835%0.353SS..EExtended strand (participates in β ladder)trans-130.5147.1176.400000110.7V229 F230 Q231 D236V229-A238 HydrophobicContact CG1-CB 3.64Å; F230-A238 CarbonylContact O-C 3.47Å; F230-A238 VanDerWaalsContact O-CA 3.24Å; F230-A238 WeakPolarHBondContact O-CA 3.33Å; Q231-A238 HydrophobicContact CB-CB 4.28Å; Q231-A238 HydrophobicContact CG-CB 4.14Å; D236-A238 PolarHBondContact O-N 3.19Å
239N87.9Confident84.8Confident40 Ų4068.4 Ų68.421%0.21434%0.335CS..EExtended strand (participates in β ladder)trans-150.2143.2178.8-159.3-69.5000111.4F230 Y237 K241 L244 V245F230-N239 WeakPolarHBondContact CB-O 3.37Å; F230-N239 PolarHBondContact N-O 3.5Å; F230-N239 PolarHBondContact O-N 3.16Å; Y237-N239 HydrophobicContact CE1-CB 4.1Å; Y237-N239 PolarHBondContact OH-ND2 2.93Å; N239-K241 PolarHBondContact O-N 3.46Å; N239-K241 PolarHBondContact OD1-N 3.23Å; N239-L244 HydrophobicContact CB-CB 4.15Å; N239-L244 WeakPolarHBondContact ND2-CD1 3.34Å; N239-L244 WeakPolarHBondContact OD1-CD1 3.33Å; N239-V245 HydrophobicContact CB-CG2 3.84Å
240A88.1Confident84.6Confident66 Ų6673.2 Ų73.255%0.54535%0.352SS..SBendtrans-60.6-24.5174.100000113.2F230F230-A240 VanDerWaalsContact CD2-O 3.32Å; F230-A240 WeakPolarHBondContact CD2-O 3.39Å; F230-A240 WeakPolarHBondContact CE2-O 3.32Å
241K85.9Confident84.2Confident114 Ų11474 Ų7450%0.49636%0.363SS..SBendtrans-101.8117.3-179.2-66.4171.8169.5-171.60111.2N239 Y243 L244 V245N239-K241 PolarHBondContact O-N 3.46Å; N239-K241 PolarHBondContact OD1-N 3.23Å; K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-Y243 HydrophobicContact CB-CD1 3.94Å; K241-Y243 HydrophobicContact CB-CE1 3.68Å; K241-Y243 HydrophobicContact CD-CE1 3.69Å; K241-Y243 HydrophobicContact CG-CE1 4.06Å; K241-Y243 PolarHBondContact O-N 3.11Å; K241-L244 HydrophobicContact CB-CB 4.37Å; K241-L244 HydrophobicContact CB-CD1 3.96Å; K241-L244 HydrophobicContact CB-CG 3.97Å; K241-L244 HydrophobicContact CD-CD1 4.02Å; K241-L244 WeakPolarHBondContact O-CB 3.35Å; K241-L244 PolarHBondContact O-N 3.11Å; K241-V245 PolarHBondContact O-N 3.29Å
242R85.6Confident84Confident97 Ų9774 Ų7437%0.36636%0.363SS..Hα-helixtrans-52.1-44.8179.2-172.8178.1178.284.6-3.7113.4A222 F230 L244 V245 V246A222-R242 HydrophobicContact CB-CG 4.18Å; A222-R242 PolarHBondContact O-NH1 3.43Å; F230-R242 HydrophobicContact CD1-CB 3.94Å; F230-R242 HydrophobicContact CD1-CG 3.96Å; F230-R242 VanDerWaalsContact CD2-CA 3.47Å; F230-R242 HydrophobicContact CD2-CB 3.74Å; F230-R242 HydrophobicContact CE1-CB 3.88Å; F230-R242 HydrophobicContact CE1-CG 4.02Å; F230-R242 HydrophobicContact CE2-CB 3.68Å; F230-R242 HydrophobicContact CG-CB 3.87Å; F230-R242 HydrophobicContact CG-CG 4.27Å; F230-R242 HydrophobicContact CZ-CB 3.75Å; F230-R242 HydrophobicContact CZ-CG 4.38Å; R242-L244 PolarHBondContact O-N 3.43Å; R242-V245 PolarHBondContact O-N 3.3Å; R242-V245 VanDerWaalsContact O-N 3.13Å; R242-V246 HydrophobicContact CG-CG2 4.25Å; R242-V246 WeakPolarHBondContact O-CG2 3.08Å; R242-V246 PolarHBondContact O-N 2.68Å
243Y86.8Confident83.6Confident135 Ų13575.5 Ų75.553%0.52937%0.373SS..Hα-helixtrans-64.5-27.2-177.578.2-92.3000112.6K241 R247K241-Y243 VanDerWaalsContact C-N 3.31Å; K241-Y243 HydrophobicContact CB-CD1 3.94Å; K241-Y243 HydrophobicContact CB-CE1 3.68Å; K241-Y243 HydrophobicContact CD-CE1 3.69Å; K241-Y243 HydrophobicContact CG-CE1 4.06Å; K241-Y243 PolarHBondContact O-N 3.11Å; Y243-R247 VanDerWaalsContact O-CB 3.23Å; Y243-R247 WeakPolarHBondContact O-CB 3.47Å; Y243-R247 PolarHBondContact O-N 3.47Å
244L86.5Confident83Confident24 Ų2478.6 Ų78.613%0.12639%0.388CS..Hα-helixtrans-69.9-40.5175.2-67.8-177.5000110.9N239 K241 R242 R247 H248N239-L244 HydrophobicContact CB-CB 4.15Å; N239-L244 WeakPolarHBondContact ND2-CD1 3.34Å; N239-L244 WeakPolarHBondContact OD1-CD1 3.33Å; K241-L244 HydrophobicContact CB-CB 4.37Å; K241-L244 HydrophobicContact CB-CD1 3.96Å; K241-L244 HydrophobicContact CB-CG 3.97Å; K241-L244 HydrophobicContact CD-CD1 4.02Å; K241-L244 WeakPolarHBondContact O-CB 3.35Å; K241-L244 PolarHBondContact O-N 3.11Å; R242-L244 PolarHBondContact O-N 3.43Å; L244-R247 PolarHBondContact O-N 3.24Å; L244-H248 VanDerWaalsContact O-CB 3.28Å; L244-H248 WeakPolarHBondContact O-CB 3.47Å; L244-H248 PolarHBondContact O-N 3.27Å
245V85.4Confident82.7Confident0 Ų078.9 Ų78.90%039%0.391CS..Hα-helixtrans-65.7-48.1172.7-1770000111A222 F230 C232 Y237 N239 K241 R242 R247 H248 M249A222-V245 HydrophobicContact CB-CB 4.19Å; A222-V245 HydrophobicContact CB-CG1 3.89Å; F230-V245 HydrophobicContact CB-CB 4.22Å; F230-V245 HydrophobicContact CB-CG2 3.57Å; F230-V245 VanDerWaalsContact O-CG2 3.22Å; F230-V245 WeakPolarHBondContact O-CG2 3.37Å; C232-V245 HydrophobicContact CB-CG1 4.39Å; Y237-V245 HydrophobicContact CE1-CG2 4.28Å; N239-V245 HydrophobicContact CB-CG2 3.84Å; K241-V245 PolarHBondContact O-N 3.29Å; R242-V245 PolarHBondContact O-N 3.3Å; R242-V245 VanDerWaalsContact O-N 3.13Å; V245-R247 VanDerWaalsContact C-N 3.28Å; V245-R247 PolarHBondContact O-N 2.9Å; V245-H248 CarbonylContact O-C 3.53Å; V245-H248 WeakPolarHBondContact O-CA 3.28Å; V245-H248 WeakPolarHBondContact O-CB 3.45Å; V245-H248 PolarHBondContact O-N 3.4Å; V245-M249 HydrophobicContact CG1-CG 4.44Å; V245-M249 VanDerWaalsContact O-CG 3.3Å; V245-M249 WeakPolarHBondContact O-CG 3.44Å; V245-M249 PolarHBondContact O-N 2.97Å
246V82.4Confident82.4Confident56 Ų5682.7 Ų82.734%0.33940%0.399SS..Hα-helixtrans-58.5-41177.1174.10000111.4R242 M249 K250R242-V246 HydrophobicContact CG-CG2 4.25Å; R242-V246 WeakPolarHBondContact O-CG2 3.08Å; R242-V246 PolarHBondContact O-N 2.68Å; V246-M249 WeakPolarHBondContact O-CB 3.43Å; V246-M249 PolarHBondContact O-N 3.47Å; V246-K250 PolarHBondContact O-N 3.37Å
247R80.7Confident82.3Confident156 Ų15679.7 Ų79.759%0.58939%0.387SS*.Hα-helixtrans-64.8-41.4173.4-177175.767.11777.8111.8Y243 L244 V245 M249 K250Y243-R247 VanDerWaalsContact O-CB 3.23Å; Y243-R247 WeakPolarHBondContact O-CB 3.47Å; Y243-R247 PolarHBondContact O-N 3.47Å; L244-R247 PolarHBondContact O-N 3.24Å; V245-R247 VanDerWaalsContact C-N 3.28Å; V245-R247 PolarHBondContact O-N 2.9Å; R247-M249 VanDerWaalsContact C-N 3.32Å; R247-K250 WeakPolarHBondContact O-CB 3.35Å; R247-K250 PolarHBondContact O-N 3.37Å
248H81.6Confident82.3Confident34 Ų3479.3 Ų79.316%0.15739%0.387CS..Hα-helixtrans-63-36173.8164.585.8000112C232 C235 Y237 L244 V245 K250 S251 H252C232-H248 PolarHBondContact SG-CD2 3.49Å; C232-H248 PolarHBondContact SG-NE2 2.74Å; C235-H248 PolarHBondContact SG-CE1 2.88Å; C235-H248 PolarHBondContact SG-NE2 3.38Å; Y237-H248 VanDerWaalsContact CB-CE1 3.47Å; Y237-H248 WeakPolarHBondContact CB-CE1 3.27Å; Y237-H248 WeakPolarHBondContact CB-NE2 3.49Å; Y237-H248 HydrophobicContact CD1-CB 3.66Å; Y237-H248 AromaticContact CD1-CD2 3.5Å; Y237-H248 VanDerWaalsContact CD1-CD2 3.5Å; Y237-H248 WeakPolarHBondContact CD1-CD2 3.46Å; Y237-H248 AromaticContact CD1-CG 3.3Å; Y237-H248 AromaticContact CD1-ND1 3.71Å; Y237-H248 HydrophobicContact CE1-CB 3.58Å; Y237-H248 AromaticContact CE1-CG 3.75Å; Y237-H248 HydrophobicContact CG-CB 4.42Å; Y237-H248 AromaticContact CG-CD2 3.86Å; Y237-H248 AromaticContact CG-CE1 3.71Å; Y237-H248 AromaticContact CG-CG 3.68Å; Y237-H248 AromaticContact CG-ND1 3.58Å; Y237-H248 AromaticContact CG-NE2 3.88Å; L244-H248 VanDerWaalsContact O-CB 3.28Å; L244-H248 WeakPolarHBondContact O-CB 3.47Å; L244-H248 PolarHBondContact O-N 3.27Å; V245-H248 CarbonylContact O-C 3.53Å; V245-H248 WeakPolarHBondContact O-CA 3.28Å; V245-H248 WeakPolarHBondContact O-CB 3.45Å; V245-H248 PolarHBondContact O-N 3.4Å; H248-K250 PolarHBondContact O-N 3.45Å; H248-S251 WeakPolarHBondContact O-CA 3.48Å; H248-S251 WeakPolarHBondContact O-CB 3.35Å; H248-S251 PolarHBondContact O-N 3.13Å; H248-S251 PolarHBondContact O-OG 3.43Å; H248-H252 AromaticContact CE1-NE2 3.77Å; H248-H252 AromaticContact NE2-CD2 3.7Å; H248-H252 AromaticContact NE2-NE2 3.12Å; H248-H252 PolarHBondContact NE2-NE2 3.09Å; H248-H252 VanDerWaalsContact NE2-NE2 3.12Å
249M79.5Confident82.2Confident23 Ų2382.7 Ų82.711%0.11339%0.393CS..Hα-helixtrans-58.3-33.7175.5-66.6-64.2-11200111.9C232 E233 F234 V245 V246 R247 S251 H252C232-M249 HydrophobicContact CB-SD 4.12Å; C232-M249 PolarHBondContact SG-SD 3.28Å; E233-M249 HydrophobicContact CB-CE 3.83Å; E233-M249 HydrophobicContact CG-CE 3.76Å; F234-M249 HydrophobicContact CD2-CE 3.82Å; F234-M249 HydrophobicContact CD2-SD 3.75Å; F234-M249 HydrophobicContact CE2-CE 3.67Å; F234-M249 HydrophobicContact CE2-SD 4.08Å; V245-M249 HydrophobicContact CG1-CG 4.44Å; V245-M249 VanDerWaalsContact O-CG 3.3Å; V245-M249 WeakPolarHBondContact O-CG 3.44Å; V245-M249 PolarHBondContact O-N 2.97Å; V246-M249 WeakPolarHBondContact O-CB 3.43Å; V246-M249 PolarHBondContact O-N 3.47Å; R247-M249 VanDerWaalsContact C-N 3.32Å; M249-S251 PolarHBondContact O-N 3.38Å; M249-H252 WeakPolarHBondContact O-CB 3.4Å; M249-H252 PolarHBondContact O-N 3.09Å; M249-H252 VanDerWaalsContact O-N 3.11Å
250K77.7Confident82.2Confident152 Ų15281.3 Ų81.366%0.66139%0.387SS*.Hα-helixtrans-62.7-20.5172.9-57.7-175179.2-171.20113.1V246 R247 H248 S253V246-K250 PolarHBondContact O-N 3.37Å; R247-K250 WeakPolarHBondContact O-CB 3.35Å; R247-K250 PolarHBondContact O-N 3.37Å; H248-K250 PolarHBondContact O-N 3.45Å; K250-S253 PolarHBondContact O-N 2.84Å
251S76.5Confident82.1Confident60 Ų6082.4 Ų82.442%0.4239%0.388SS..Hα-helixtrans-72.4-29.3175.879.70000113H248 M249 S253 K268H248-S251 WeakPolarHBondContact O-CA 3.48Å; H248-S251 WeakPolarHBondContact O-CB 3.35Å; H248-S251 PolarHBondContact O-N 3.13Å; H248-S251 PolarHBondContact O-OG 3.43Å; M249-S251 PolarHBondContact O-N 3.38Å; S251-S253 VanDerWaalsContact C-N 3.32Å; S251-K268 PolarHBondContact O-NZ 3.18Å; S251-K268 VanDerWaalsContact O-NZ 3.09Å
252H80.1Confident82.1Confident66 Ų6681.2 Ų81.231%0.30639%0.386SS..Hα-helixtrans-70-31.5171.8-70.2-73.4000111.8C232 F234 C235 H248 M249 Q254C232-H252 VanDerWaalsContact SG-CD2 3.58Å; C232-H252 PolarHBondContact SG-NE2 3.41Å; F234-H252 VanDerWaalsContact CB-CE1 3.44Å; F234-H252 WeakPolarHBondContact CB-CE1 3.49Å; F234-H252 HydrophobicContact CD2-CB 4.15Å; F234-H252 AromaticContact CD2-CD2 3.9Å; F234-H252 AromaticContact CD2-CG 3.94Å; C235-H252 PolarHBondContact SG-NE2 2.84Å; C235-H252 VanDerWaalsContact SG-NE2 3.41Å; H248-H252 AromaticContact CE1-NE2 3.77Å; H248-H252 AromaticContact NE2-CD2 3.7Å; H248-H252 AromaticContact NE2-NE2 3.12Å; H248-H252 PolarHBondContact NE2-NE2 3.09Å; H248-H252 VanDerWaalsContact NE2-NE2 3.12Å; M249-H252 WeakPolarHBondContact O-CB 3.4Å; M249-H252 PolarHBondContact O-N 3.09Å; M249-H252 VanDerWaalsContact O-N 3.11Å; H252-Q254 PolarHBondContact O-N 2.84Å
253S76.3Confident82.1Confident36 Ų3678.6 Ų78.625%0.25238%0.382SS..  trans-65.3131.2171.1-174.40000110.7K250 S251 E255 K268K250-S253 PolarHBondContact O-N 2.84Å; S251-S253 VanDerWaalsContact C-N 3.32Å; S253-E255 VanDerWaalsContact OG-CB 3.29Å; S253-E255 WeakPolarHBondContact OG-CB 3.12Å; S253-E255 VanDerWaalsContact OG-CD 3.31Å; S253-E255 WeakPolarHBondContact OG-CG 3.41Å; S253-E255 PolarHBondContact OG-N 3.47Å; S253-E255 VanDerWaalsContact OG-N 3.16Å; S253-E255 PolarHBondContact OG-OE1 2.93Å; S253-K268 PolarHBondContact O-NZ 3.11Å
254Q70.8Confident82.1Confident142 Ų14280.3 Ų80.366%0.66439%0.394SS*.  trans-83.93.9171.2-62.6-61-19.200112H252 R256H252-Q254 PolarHBondContact O-N 2.84Å; Q254-R256 PolarHBondContact O-N 3.12Å
255E77.8Confident82Confident136 Ų13681.4 Ų81.464%0.63640%0.404SS*.  trans-57.5130.9175.3-73.1168.3-152.100111S253S253-E255 VanDerWaalsContact OG-CB 3.29Å; S253-E255 WeakPolarHBondContact OG-CB 3.12Å; S253-E255 VanDerWaalsContact OG-CD 3.31Å; S253-E255 WeakPolarHBondContact OG-CG 3.41Å; S253-E255 PolarHBondContact OG-N 3.47Å; S253-E255 VanDerWaalsContact OG-N 3.16Å; S253-E255 PolarHBondContact OG-OE1 2.93Å
256R80.1Confident82.1Confident124 Ų12482 Ų8247%0.46841%0.408SS..  trans-128.174.4178.2-71.7166.6175.2-142.511.9108.7Q254 F258 C266 F267 K268Q254-R256 PolarHBondContact O-N 3.12Å; R256-F258 PolarHBondContact O-N 3.08Å; R256-F258 VanDerWaalsContact O-N 3.17Å; R256-C266 HydrophobicContact CB-CB 3.7Å; R256-C266 WeakPolarHBondContact CD-O 3.23Å; R256-C266 PolarHBondContact NH1-O 2.96Å; R256-F267 CarbonylContact C-O 3.51Å; R256-F267 VanDerWaalsContact CA-O 3.24Å; R256-F267 WeakPolarHBondContact CA-O 3.48Å; R256-K268 HydrophobicContact CG-CG 3.95Å
257P84.8Confident82.2Confident84 Ų8481.3 Ų81.355%0.54540%0.401SS..  trans-63.4-25-169.7-22.734.6000113.7K259P257-K259 PolarHBondContact O-N 3.11Å
258F86.4Confident82.2Confident73 Ų7377.8 Ų77.832%0.3239%0.39SS..EExtended strand (participates in β ladder)trans-93.6102.2-171.2-58.9-80.1000110.5R256 C266 F267 N270 L273R256-F258 PolarHBondContact O-N 3.08Å; R256-F258 VanDerWaalsContact O-N 3.17Å; F258-C266 CarbonylContact O-C 3.23Å; F258-C266 WeakPolarHBondContact O-CA 3.35Å; F258-F267 HydrophobicContact CB-CB 4.31Å; F258-F267 PolarHBondContact N-O 2.88Å; F258-F267 PolarHBondContact O-N 2.79Å; F258-N270 HydrophobicContact CD1-CB 3.89Å; F258-N270 HydrophobicContact CE1-CB 3.65Å; F258-N270 HydrophobicContact CG-CB 4.47Å; F258-N270 HydrophobicContact CZ-CB 4.03Å; F258-L273 HydrophobicContact CB-CB 3.89Å; F258-L273 HydrophobicContact CB-CD2 3.79Å; F258-L273 HydrophobicContact CB-CG 4.4Å
259K85Confident82.3Confident118 Ų11879.3 Ų79.351%0.51340%0.402SS..EExtended strand (participates in β ladder)trans-89.9140.5179.8-55.3-170.3176176.40111.1P257 L273P257-K259 PolarHBondContact O-N 3.11Å; K259-L273 WeakPolarHBondContact O-CD2 3.45Å
260C87.5Confident82.7Confident11 Ų1182 Ų827%0.07442%0.416CS..  trans-74.2133.6171.1-174.20000110.7M262 C263 S265 F267 L273 H276 H280C260-M262 PolarHBondContact O-N 3.43Å; C260-M262 PolarHBondContact SG-N 3.33Å; C260-M262 VanDerWaalsContact SG-N 3.42Å; C260-C263 WeakPolarHBondContact CB-O 3.47Å; C260-S265 WeakPolarHBondContact CB-O 3.29Å; C260-S265 PolarHBondContact N-O 3.12Å; C260-F267 HydrophobicContact CB-CE2 4.49Å; C260-L273 HydrophobicContact CB-CD1 3.9Å; C260-H276 PolarHBondContact SG-CD2 3.42Å; C260-H276 PolarHBondContact SG-NE2 3.44Å; C260-H276 VanDerWaalsContact SG-NE2 3.37Å; C260-H280 VanDerWaalsContact SG-CD2 3.59Å
261P85.7Confident83.2Confident90 Ų9078.8 Ų78.858%0.58441%0.413SS*.SBendtrans-73.4-15.7175.728.8-34.7000113.4
262M85.9Confident83.8Confident88 Ų8878.5 Ų78.543%0.43341%0.411SS..SBendtrans-108.4-11.3-173.8-69.5177.8-87.200113.9C260 V277 H280 T281C260-M262 PolarHBondContact O-N 3.43Å; C260-M262 PolarHBondContact SG-N 3.33Å; C260-M262 VanDerWaalsContact SG-N 3.42Å; M262-V277 HydrophobicContact CE-CB 4.46Å; M262-V277 HydrophobicContact CE-CG1 3.7Å; M262-V277 HydrophobicContact CE-CG2 4.46Å; M262-H280 HydrophobicContact CB-CB 4.46Å; M262-H280 HydrophobicContact CE-CB 3.59Å; M262-H280 HydrophobicContact SD-CB 3.52Å; M262-H280 VanDerWaalsContact SD-CB 3.52Å; M262-T281 HydrophobicContact CE-CG2 4.11Å
263C86.4Confident84.3Confident42 Ų4276.2 Ų76.228%0.28440%0.401SS..SBendtrans-156.2172.1174.776.80000111.4C260 S265 H276 H280C260-C263 WeakPolarHBondContact CB-O 3.47Å; C263-S265 PolarHBondContact O-N 2.85Å; C263-S265 VanDerWaalsContact SG-CB 3.51Å; C263-S265 PolarHBondContact SG-N 3.18Å; C263-S265 PolarHBondContact SG-OG 3.16Å; C263-S265 VanDerWaalsContact SG-OG 3.37Å; C263-H276 VanDerWaalsContact SG-CE1 3.57Å; C263-H276 PolarHBondContact SG-NE2 2.85Å; C263-H280 PolarHBondContact SG-NE2 3.43Å; C263-H280 VanDerWaalsContact SG-NE2 3.4Å
264E86.8Confident84.9Confident171 Ų17177.4 Ų77.480%0.79940%0.402SS*.SBendtrans-75.415-178-56.7-177.717800114.1C203C203-E264 PolarHBondContact SG-O 3.13Å
265S83.5Confident85.8Confident47 Ų4773.5 Ų73.533%0.32939%0.386SS..  trans-80.8126.4-179.7-65.70000111.8C260 C263C260-S265 WeakPolarHBondContact CB-O 3.29Å; C260-S265 PolarHBondContact N-O 3.12Å; C263-S265 PolarHBondContact O-N 2.85Å; C263-S265 VanDerWaalsContact SG-CB 3.51Å; C263-S265 PolarHBondContact SG-N 3.18Å; C263-S265 PolarHBondContact SG-OG 3.16Å; C263-S265 VanDerWaalsContact SG-OG 3.37Å
266C87.8Confident86.4Confident12 Ų1268.6 Ų68.68%0.08136%0.363CS..EExtended strand (participates in β ladder)trans-110.5136.7176.4-650000110.8C203 R256 F258C203-C266 WeakPolarHBondContact CB-SG 3.47Å; C203-C266 WeakPolarHBondContact SG-CB 3.45Å; C203-C266 CovalentContact SG-SG 2.07Å; C203-C266 PolarHBondContact SG-SG 3.47Å; R256-C266 HydrophobicContact CB-CB 3.7Å; R256-C266 WeakPolarHBondContact CD-O 3.23Å; R256-C266 PolarHBondContact NH1-O 2.96Å; F258-C266 CarbonylContact O-C 3.23Å; F258-C266 WeakPolarHBondContact O-CA 3.35Å
267F84.9Confident86.7Confident42 Ų4262.8 Ų62.818%0.18434%0.342CS..EExtended strand (participates in β ladder)trans-121.7151.5-174.3-60.4-88.7000113.2R256 F258 C260 L273 H276R256-F267 CarbonylContact C-O 3.51Å; R256-F267 VanDerWaalsContact CA-O 3.24Å; R256-F267 WeakPolarHBondContact CA-O 3.48Å; F258-F267 HydrophobicContact CB-CB 4.31Å; F258-F267 PolarHBondContact N-O 2.88Å; F258-F267 PolarHBondContact O-N 2.79Å; C260-F267 HydrophobicContact CB-CE2 4.49Å; F267-L273 HydrophobicContact CB-CB 4.13Å; F267-L273 HydrophobicContact CD2-CB 3.91Å; F267-L273 HydrophobicContact CD2-CD1 3.74Å; F267-L273 HydrophobicContact CD2-CG 4.45Å; F267-L273 HydrophobicContact CE2-CD1 4.05Å; F267-L273 HydrophobicContact CG-CB 4.17Å; F267-H276 HydrophobicContact CD2-CB 4.5Å; F267-H276 HydrophobicContact CE1-CB 3.69Å; F267-H276 HydrophobicContact CE2-CB 3.65Å; F267-H276 AromaticContact CE2-CD2 3.29Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.42Å; F267-H276 AromaticContact CE2-CG 3.44Å; F267-H276 VanDerWaalsContact CE2-CG 3.44Å; F267-H276 AromaticContact CE2-NE2 3.97Å; F267-H276 HydrophobicContact CZ-CB 3.2Å; F267-H276 AromaticContact CZ-CD2 3.45Å; F267-H276 VanDerWaalsContact CZ-CD2 3.45Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.46Å; F267-H276 AromaticContact CZ-CG 3.08Å; F267-H276 AromaticContact CZ-ND1 3.54Å
268K81.5Confident87Confident83 Ų8359.6 Ų59.636%0.36132%0.32SS..SBendtrans-77.7-23.7178.6-62-163.5178.6-1580113.8S251 S253 R256S251-K268 PolarHBondContact O-NZ 3.18Å; S251-K268 VanDerWaalsContact O-NZ 3.09Å; S253-K268 PolarHBondContact O-NZ 3.11Å; R256-K268 HydrophobicContact CG-CG 3.95Å
269T83.5Confident87.1Confident66 Ų6660.1 Ų60.141%0.40533%0.329SS..SBendtrans-135.3150.3-178.668.20000110.6S271 S272 L273T269-S271 VanDerWaalsContact C-N 3.3Å; T269-S271 PolarHBondContact O-N 3.48Å; T269-S272 PolarHBondContact O-N 3.26Å; T269-S272 WeakPolarHBondContact OG1-CB 3.49Å; T269-S272 PolarHBondContact OG1-N 3.29Å; T269-S272 PolarHBondContact OG1-OG 2.8Å; T269-L273 PolarHBondContact O-N 3.37Å; T269-L273 VanDerWaalsContact O-N 3.11Å
270N87.4Confident87.2Confident80 Ų8058.2 Ų58.243%0.42832%0.322SS..Hα-helixtrans-60.7-40.2176.2-169.120.3000111.5F258 S272 L273 Q274F258-N270 HydrophobicContact CD1-CB 3.89Å; F258-N270 HydrophobicContact CE1-CB 3.65Å; F258-N270 HydrophobicContact CG-CB 4.47Å; F258-N270 HydrophobicContact CZ-CB 4.03Å; N270-S272 VanDerWaalsContact C-N 3.3Å; N270-S272 PolarHBondContact O-N 2.88Å; N270-L273 CarbonylContact O-C 3.54Å; N270-L273 WeakPolarHBondContact O-CB 3.45Å; N270-L273 PolarHBondContact O-N 3.2Å; N270-L273 VanDerWaalsContact O-N 3.11Å; N270-Q274 WeakPolarHBondContact O-CG 3.45Å; N270-Q274 PolarHBondContact O-N 3.21Å
271S88Confident87.2Confident84 Ų8459.9 Ų59.959%0.58733%0.332SS*.Hα-helixtrans-60.2-38.1177.1-51.10000112.7T269 Q274 N275T269-S271 VanDerWaalsContact C-N 3.3Å; T269-S271 PolarHBondContact O-N 3.48Å; S271-Q274 PolarHBondContact O-N 3.27Å; S271-N275 WeakPolarHBondContact O-CB 3.4Å; S271-N275 PolarHBondContact O-N 2.74Å; S271-N275 PolarHBondContact O-ND2 2.91Å
272S89.2Confident87.3Confident54 Ų5457.9 Ų57.938%0.37833%0.327SS..Hα-helixtrans-68.6-38.5174.6-65.60000112.2T269 N270 H276T269-S272 PolarHBondContact O-N 3.26Å; T269-S272 WeakPolarHBondContact OG1-CB 3.49Å; T269-S272 PolarHBondContact OG1-N 3.29Å; T269-S272 PolarHBondContact OG1-OG 2.8Å; N270-S272 VanDerWaalsContact C-N 3.3Å; N270-S272 PolarHBondContact O-N 2.88Å; S272-H276 WeakPolarHBondContact O-CB 3.47Å; S272-H276 PolarHBondContact O-N 3.29Å
273L90.1Very high87.3Confident17 Ų1756 Ų569%0.08932%0.319CS..Hα-helixtrans-61.4-48.2172169.963.1000111.1F258 K259 C260 F267 T269 N270 N275 H276 V277F258-L273 HydrophobicContact CB-CB 3.89Å; F258-L273 HydrophobicContact CB-CD2 3.79Å; F258-L273 HydrophobicContact CB-CG 4.4Å; K259-L273 WeakPolarHBondContact O-CD2 3.45Å; C260-L273 HydrophobicContact CB-CD1 3.9Å; F267-L273 HydrophobicContact CB-CB 4.13Å; F267-L273 HydrophobicContact CD2-CB 3.91Å; F267-L273 HydrophobicContact CD2-CD1 3.74Å; F267-L273 HydrophobicContact CD2-CG 4.45Å; F267-L273 HydrophobicContact CE2-CD1 4.05Å; F267-L273 HydrophobicContact CG-CB 4.17Å; T269-L273 PolarHBondContact O-N 3.37Å; T269-L273 VanDerWaalsContact O-N 3.11Å; N270-L273 CarbonylContact O-C 3.54Å; N270-L273 WeakPolarHBondContact O-CB 3.45Å; N270-L273 PolarHBondContact O-N 3.2Å; N270-L273 VanDerWaalsContact O-N 3.11Å; L273-N275 PolarHBondContact O-N 2.95Å; L273-H276 CarbonylContact O-C 3.51Å; L273-H276 WeakPolarHBondContact O-CA 3.46Å; L273-H276 WeakPolarHBondContact O-CB 3.37Å; L273-H276 PolarHBondContact O-N 3.24Å; L273-H276 VanDerWaalsContact O-N 3.08Å; L273-V277 HydrophobicContact CD1-CG2 3.85Å; L273-V277 HydrophobicContact CG-CG2 4.25Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 3.22Å
274Q89.8Confident87.5Confident62 Ų6260.8 Ų60.829%0.2933%0.331SS..Hα-helixtrans-60.6-45.5179.7-70.1-61.7-2800111.9N270 S271 H276 V277 N278N270-Q274 WeakPolarHBondContact O-CG 3.45Å; N270-Q274 PolarHBondContact O-N 3.21Å; S271-Q274 PolarHBondContact O-N 3.27Å; Q274-H276 PolarHBondContact O-N 3.32Å; Q274-V277 PolarHBondContact O-N 2.89Å; Q274-V277 VanDerWaalsContact O-N 3.15Å; Q274-N278 VanDerWaalsContact O-CG 3.3Å; Q274-N278 PolarHBondContact O-N 2.83Å
275N89.5Confident87.6Confident59 Ų5956.3 Ų56.332%0.31632%0.317SS..Hα-helixtrans-60.6-35.2174.7-69.7-16.2000112.2S271 L273 N278 T297S271-N275 WeakPolarHBondContact O-CB 3.4Å; S271-N275 PolarHBondContact O-N 2.74Å; S271-N275 PolarHBondContact O-ND2 2.91Å; L273-N275 PolarHBondContact O-N 2.95Å; N275-N278 WeakPolarHBondContact O-CB 3.49Å; N275-T297 HydrophobicContact CB-CG2 3.86Å
276H89.8Confident88Confident33 Ų3357 Ų5715%0.15332%0.315CS..Hα-helixtrans-71.2-42.4173.6168.774.9000112.5C260 C263 F267 S272 L273 Q274 N278 T279 H280C260-H276 PolarHBondContact SG-CD2 3.42Å; C260-H276 PolarHBondContact SG-NE2 3.44Å; C260-H276 VanDerWaalsContact SG-NE2 3.37Å; C263-H276 VanDerWaalsContact SG-CE1 3.57Å; C263-H276 PolarHBondContact SG-NE2 2.85Å; F267-H276 HydrophobicContact CD2-CB 4.5Å; F267-H276 HydrophobicContact CE1-CB 3.69Å; F267-H276 HydrophobicContact CE2-CB 3.65Å; F267-H276 AromaticContact CE2-CD2 3.29Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.42Å; F267-H276 AromaticContact CE2-CG 3.44Å; F267-H276 VanDerWaalsContact CE2-CG 3.44Å; F267-H276 AromaticContact CE2-NE2 3.97Å; F267-H276 HydrophobicContact CZ-CB 3.2Å; F267-H276 AromaticContact CZ-CD2 3.45Å; F267-H276 VanDerWaalsContact CZ-CD2 3.45Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.46Å; F267-H276 AromaticContact CZ-CG 3.08Å; F267-H276 AromaticContact CZ-ND1 3.54Å; S272-H276 WeakPolarHBondContact O-CB 3.47Å; S272-H276 PolarHBondContact O-N 3.29Å; L273-H276 CarbonylContact O-C 3.51Å; L273-H276 WeakPolarHBondContact O-CA 3.46Å; L273-H276 WeakPolarHBondContact O-CB 3.37Å; L273-H276 PolarHBondContact O-N 3.24Å; L273-H276 VanDerWaalsContact O-N 3.08Å; Q274-H276 PolarHBondContact O-N 3.32Å; H276-N278 PolarHBondContact O-N 3.49Å; H276-T279 WeakPolarHBondContact O-CA 3.48Å; H276-T279 VanDerWaalsContact O-CB 3.31Å; H276-T279 WeakPolarHBondContact O-CB 3.44Å; H276-T279 PolarHBondContact O-N 3.35Å; H276-T279 PolarHBondContact O-OG1 3.48Å; H276-H280 AromaticContact CD2-NE2 3.93Å; H276-H280 AromaticContact CE1-NE2 3.43Å; H276-H280 PolarHBondContact CE1-NE2 3.38Å; H276-H280 AromaticContact NE2-CD2 3.68Å; H276-H280 AromaticContact NE2-NE2 3.05Å; H276-H280 PolarHBondContact NE2-NE2 2.98Å
277V88.1Confident88.2Confident3 Ų362.8 Ų62.82%0.01834%0.341CS..Hα-helixtrans-59.2-38.2176.2166.50000111M184 M262 L273 Q274 T279 H280 T281M184-V277 HydrophobicContact CE-CG1 3.86Å; M262-V277 HydrophobicContact CE-CB 4.46Å; M262-V277 HydrophobicContact CE-CG1 3.7Å; M262-V277 HydrophobicContact CE-CG2 4.46Å; L273-V277 HydrophobicContact CD1-CG2 3.85Å; L273-V277 HydrophobicContact CG-CG2 4.25Å; L273-V277 WeakPolarHBondContact O-CG2 3.45Å; L273-V277 PolarHBondContact O-N 3.22Å; Q274-V277 PolarHBondContact O-N 2.89Å; Q274-V277 VanDerWaalsContact O-N 3.15Å; V277-T279 PolarHBondContact O-N 3Å; V277-T279 VanDerWaalsContact O-N 3.09Å; V277-H280 WeakPolarHBondContact O-CB 3.4Å; V277-H280 PolarHBondContact O-N 3.34Å; V277-T281 HydrophobicContact CG1-CG2 4.22Å; V277-T281 PolarHBondContact O-N 3.46Å; V277-T281 VanDerWaalsContact O-N 3.08Å; V277-T281 PolarHBondContact O-OG1 3.03Å
278N89.8Confident88.6Confident17 Ų1761 Ų619%0.09133%0.333CS..Hα-helixtrans-55.2-26.3171.9-71-15.1000113.4Q274 N275 H276 T281 G282 L283 T296Q274-N278 VanDerWaalsContact O-CG 3.3Å; Q274-N278 PolarHBondContact O-N 2.83Å; N275-N278 WeakPolarHBondContact O-CB 3.49Å; H276-N278 PolarHBondContact O-N 3.49Å; N278-T281 WeakPolarHBondContact CA-OG1 3.45Å; N278-G282 CarbonylContact O-C 3.45Å; N278-G282 WeakPolarHBondContact O-CA 3.21Å; N278-G282 PolarHBondContact O-N 3.08Å; N278-L283 HydrophobicContact CB-CB 4.37Å; N278-L283 WeakPolarHBondContact CB-O 3.26Å; N278-L283 PolarHBondContact O-N 3.18Å; N278-T296 HydrophobicContact CB-CG2 4.5Å
279T88.3Confident89.1Confident83 Ų8367 Ų6751%0.50936%0.359SS..Hα-helixtrans-75.3-27.2176.172.70000113.2H276 V277H276-T279 WeakPolarHBondContact O-CA 3.48Å; H276-T279 VanDerWaalsContact O-CB 3.31Å; H276-T279 WeakPolarHBondContact O-CB 3.44Å; H276-T279 PolarHBondContact O-N 3.35Å; H276-T279 PolarHBondContact O-OG1 3.48Å; V277-T279 PolarHBondContact O-N 3Å; V277-T279 VanDerWaalsContact O-N 3.09Å
280H87.5Confident89.5Confident79 Ų7969.2 Ų69.237%0.36637%0.368SS..Hα-helixtrans-80.5-42.6173.8-66.7-62.2000111.6C260 M262 C263 H276 V277 G282C260-H280 VanDerWaalsContact SG-CD2 3.59Å; M262-H280 HydrophobicContact CB-CB 4.46Å; M262-H280 HydrophobicContact CE-CB 3.59Å; M262-H280 HydrophobicContact SD-CB 3.52Å; M262-H280 VanDerWaalsContact SD-CB 3.52Å; C263-H280 PolarHBondContact SG-NE2 3.43Å; C263-H280 VanDerWaalsContact SG-NE2 3.4Å; H276-H280 AromaticContact CD2-NE2 3.93Å; H276-H280 AromaticContact CE1-NE2 3.43Å; H276-H280 PolarHBondContact CE1-NE2 3.38Å; H276-H280 AromaticContact NE2-CD2 3.68Å; H276-H280 AromaticContact NE2-NE2 3.05Å; H276-H280 PolarHBondContact NE2-NE2 2.98Å; V277-H280 WeakPolarHBondContact O-CB 3.4Å; V277-H280 PolarHBondContact O-N 3.34Å; H280-G282 VanDerWaalsContact C-N 3.3Å; H280-G282 PolarHBondContact O-N 3.46Å
281T87.6Confident89.7Confident46 Ų4667.1 Ų67.128%0.28236%0.359SS..Hα-helixtrans-79.9-13-177.9590000113.4M262 V277 N278 L283M262-T281 HydrophobicContact CE-CG2 4.11Å; V277-T281 HydrophobicContact CG1-CG2 4.22Å; V277-T281 PolarHBondContact O-N 3.46Å; V277-T281 VanDerWaalsContact O-N 3.08Å; V277-T281 PolarHBondContact O-OG1 3.03Å; N278-T281 WeakPolarHBondContact CA-OG1 3.45Å; T281-L283 PolarHBondContact O-N 3.49Å; T281-L283 WeakPolarHBondContact OG1-CB 3.42Å; T281-L283 VanDerWaalsContact OG1-CG 3.26Å; T281-L283 WeakPolarHBondContact OG1-CG 3.34Å; T281-L283 PolarHBondContact OG1-N 2.98Å
282G87.6Confident89.9Confident48 Ų4870.7 Ų70.750%0.49537%0.372SS..  trans72.74.8-172.900000114N278 H280 R284N278-G282 CarbonylContact O-C 3.45Å; N278-G282 WeakPolarHBondContact O-CA 3.21Å; N278-G282 PolarHBondContact O-N 3.08Å; H280-G282 VanDerWaalsContact C-N 3.3Å; H280-G282 PolarHBondContact O-N 3.46Å; G282-R284 PolarHBondContact O-N 3.15Å
283L87.3Confident90.1Very high48 Ų4872.8 Ų72.825%0.25138%0.378SS..  trans-63.4132.6-179.2-70.4179.9000111.3Q91 N278 T281Q91-L283 HydrophobicContact CG-CD2 4.12Å; N278-L283 HydrophobicContact CB-CB 4.37Å; N278-L283 WeakPolarHBondContact CB-O 3.26Å; N278-L283 PolarHBondContact O-N 3.18Å; T281-L283 PolarHBondContact O-N 3.49Å; T281-L283 WeakPolarHBondContact OG1-CB 3.42Å; T281-L283 VanDerWaalsContact OG1-CG 3.26Å; T281-L283 WeakPolarHBondContact OG1-CG 3.34Å; T281-L283 PolarHBondContact OG1-N 2.98Å
284R89.7Confident90.2Very high142 Ų14273.2 Ų73.254%0.53638%0.384SS..  trans-129.377.8-178.6-72.2166.2177.8-80.3-6.6109.9G282 H286 A294 F295 T296G282-R284 PolarHBondContact O-N 3.15Å; R284-H286 PolarHBondContact O-N 3Å; R284-H286 VanDerWaalsContact O-N 3.16Å; R284-A294 HydrophobicContact CB-CB 3.63Å; R284-A294 WeakPolarHBondContact CD-O 3.36Å; R284-A294 PolarHBondContact NH1-O 3.12Å; R284-A294 WeakPolarHBondContact O-CB 3.26Å; R284-F295 CarbonylContact C-O 3.49Å; R284-F295 VanDerWaalsContact C-O 3.23Å; R284-F295 VanDerWaalsContact CA-O 3.32Å; R284-F295 WeakPolarHBondContact CA-O 3.4Å; R284-T296 HydrophobicContact CG-CG2 4.29Å
285P88.8Confident90.2Very high77 Ų7771.9 Ų71.950%0.538%0.377SS..  trans-66.5-18.9-171.4-2133.6000114.4F295P285-F295 WeakPolarHBondContact CD-O 3.42Å
286H91.9Very high90.2Very high62 Ų6269.8 Ų69.829%0.28737%0.367SS..EExtended strand (participates in β ladder)trans-103.789.8-171.4-60.8-74.4000111.3R284 A294 F295 T297 S298 L301R284-H286 PolarHBondContact O-N 3Å; R284-H286 VanDerWaalsContact O-N 3.16Å; H286-A294 CarbonylContact O-C 3.57Å; H286-A294 WeakPolarHBondContact O-CA 3.45Å; H286-F295 HydrophobicContact CB-CB 4.38Å; H286-F295 PolarHBondContact N-O 3.28Å; H286-F295 PolarHBondContact O-N 3.17Å; H286-T297 VanDerWaalsContact CD2-CA 3.45Å; H286-T297 WeakPolarHBondContact CD2-CA 3.44Å; H286-S298 PolarHBondContact CD2-N 3.15Å; H286-S298 PolarHBondContact NE2-N 3.29Å; H286-L301 HydrophobicContact CB-CB 4.04Å; H286-L301 HydrophobicContact CB-CD2 3.94Å
287Q90.9Very high90.2Very high134 Ų13469.8 Ų69.863%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-79.8138.7179.2-166177.114.900112.2A294 L301Q287-A294 HydrophobicContact CB-CB 4.4Å; Q287-L301 WeakPolarHBondContact O-CD2 3.46Å
288C93.4Very high90.3Very high5 Ų572.8 Ų72.83%0.03439%0.39CS..  trans-73.7133.2169-1710000110.4L290 C291 L293 L301 H304 H309C288-L290 PolarHBondContact O-N 3.41Å; C288-L290 PolarHBondContact SG-N 3Å; C288-C291 WeakPolarHBondContact CB-O 3.37Å; C288-L293 VanDerWaalsContact CB-O 3.28Å; C288-L293 WeakPolarHBondContact CB-O 3.49Å; C288-L293 PolarHBondContact N-O 3.12Å; C288-L301 HydrophobicContact CB-CD1 3.73Å; C288-H304 PolarHBondContact SG-NE2 2.99Å; C288-H304 VanDerWaalsContact SG-NE2 3.37Å; C288-H309 PolarHBondContact SG-NE2 3.17Å; C288-H309 VanDerWaalsContact SG-NE2 3.44Å
289K92.3Very high90.4Very high208 Ų20874 Ų7490%0.90441%0.407SS*.SBendtrans-79.5-7.9176.5-63.3-175.8178.2-177.20113.3
290L91.8Very high90.6Very high113 Ų11372.8 Ų72.859%0.59240%0.395SS*.SBendtrans-115.4-7.9-172.9-58.5175.5000112.9C288 H309C288-L290 PolarHBondContact O-N 3.41Å; C288-L290 PolarHBondContact SG-N 3Å; L290-H309 VanDerWaalsContact CB-CE1 3.4Å; L290-H309 WeakPolarHBondContact CB-CE1 3.42Å; L290-H309 HydrophobicContact CD1-CB 3.49Å; L290-H309 VanDerWaalsContact CD1-CB 3.49Å; L290-H309 PolarHBondContact O-CE1 3.11Å
291C93.2Very high90.8Very high36 Ų3670.6 Ų70.624%0.24339%0.386CS..SBendtrans-158.6170.3170.5690000110.7C288 L293 H304 H309C288-C291 WeakPolarHBondContact CB-O 3.37Å; C291-L293 PolarHBondContact O-N 3.41Å; C291-H304 PolarHBondContact SG-CE1 2.07Å; C291-H304 PolarHBondContact SG-NE2 2.79Å; C291-H309 PolarHBondContact SG-NE2 3.09Å
292D92.1Very high91.1Very high158 Ų15872.4 Ų72.485%0.84539%0.393SS*.SBendtrans-76.55.2-172.4-48.9-47000114.5
293L92.3Very high91.3Very high99 Ų9975 Ų7552%0.51839%0.388SS..  trans-81.9135.1-177.9-67.9173.6000112C288 C291 F295C288-L293 VanDerWaalsContact CB-O 3.28Å; C288-L293 WeakPolarHBondContact CB-O 3.49Å; C288-L293 PolarHBondContact N-O 3.12Å; C291-L293 PolarHBondContact O-N 3.41Å; L293-F295 HydrophobicContact CB-CE2 4.04Å; L293-F295 HydrophobicContact CB-CZ 3.97Å
294A92Very high91.6Very high26 Ų2673.7 Ų73.722%0.21538%0.381CS..EExtended strand (participates in β ladder)trans-120.1151.4173.500000112.4R284 H286 Q287R284-A294 HydrophobicContact CB-CB 3.63Å; R284-A294 WeakPolarHBondContact CD-O 3.36Å; R284-A294 PolarHBondContact NH1-O 3.12Å; R284-A294 WeakPolarHBondContact O-CB 3.26Å; H286-A294 CarbonylContact O-C 3.57Å; H286-A294 WeakPolarHBondContact O-CA 3.45Å; Q287-A294 HydrophobicContact CB-CB 4.4Å
295F91Very high91.8Very high33 Ų3368.8 Ų68.815%0.14537%0.366CS..EExtended strand (participates in β ladder)trans-126.4154.5-171.3-59.4-84.3000112.6R284 P285 H286 L293 T297 E300 L301 H304R284-F295 CarbonylContact C-O 3.49Å; R284-F295 VanDerWaalsContact C-O 3.23Å; R284-F295 VanDerWaalsContact CA-O 3.32Å; R284-F295 WeakPolarHBondContact CA-O 3.4Å; P285-F295 WeakPolarHBondContact CD-O 3.42Å; H286-F295 HydrophobicContact CB-CB 4.38Å; H286-F295 PolarHBondContact N-O 3.28Å; H286-F295 PolarHBondContact O-N 3.17Å; L293-F295 HydrophobicContact CB-CE2 4.04Å; L293-F295 HydrophobicContact CB-CZ 3.97Å; F295-T297 VanDerWaalsContact C-N 3.32Å; F295-E300 HydrophobicContact CB-CB 3.77Å; F295-E300 HydrophobicContact CD1-CB 3.83Å; F295-E300 HydrophobicContact CG-CB 4Å; F295-L301 HydrophobicContact CB-CB 4.31Å; F295-L301 HydrophobicContact CD2-CB 3.85Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 4.46Å; F295-L301 HydrophobicContact CE2-CD1 4.04Å; F295-L301 HydrophobicContact CG-CB 4.32Å; F295-H304 HydrophobicContact CD2-CB 4.49Å; F295-H304 HydrophobicContact CE1-CB 3.94Å; F295-H304 HydrophobicContact CE2-CB 3.66Å; F295-H304 AromaticContact CE2-CD2 3.54Å; F295-H304 AromaticContact CE2-CG 3.46Å; F295-H304 VanDerWaalsContact CE2-CG 3.46Å; F295-H304 HydrophobicContact CZ-CB 3.35Å; F295-H304 AromaticContact CZ-CD2 3.77Å; F295-H304 AromaticContact CZ-CG 3.21Å; F295-H304 AromaticContact CZ-ND1 3.49Å; F295-H304 WeakPolarHBondContact CZ-ND1 3.1Å
296T88.3Confident92.1Very high16 Ų1668.2 Ų68.210%0.09835%0.354CS..SBendtrans-75-26.5-178.964.10000112.1N278 R284 E300N278-T296 HydrophobicContact CB-CG2 4.5Å; R284-T296 HydrophobicContact CG-CG2 4.29Å; T296-E300 PolarHBondContact N-OE2 2.83Å; T296-E300 PolarHBondContact OG1-OE2 3.08Å
297T90Very high92.1Very high32 Ų3272.2 Ų72.220%0.19637%0.368CS..SBendtrans-133.2152.4-179.765.70000112N275 H286 F295 G299 E300 L301N275-T297 HydrophobicContact CB-CG2 3.86Å; H286-T297 VanDerWaalsContact CD2-CA 3.45Å; H286-T297 WeakPolarHBondContact CD2-CA 3.44Å; F295-T297 VanDerWaalsContact C-N 3.32Å; T297-G299 VanDerWaalsContact C-N 3.3Å; T297-G299 PolarHBondContact O-N 3.41Å; T297-E300 PolarHBondContact N-OE2 3.39Å; T297-E300 WeakPolarHBondContact O-CB 3.05Å; T297-E300 PolarHBondContact O-N 3.05Å; T297-E300 VanDerWaalsContact OG1-CG 3.24Å; T297-E300 WeakPolarHBondContact OG1-CG 3.44Å; T297-E300 PolarHBondContact OG1-N 3.21Å; T297-L301 PolarHBondContact O-N 3.34Å
298S90.8Very high92.2Very high66 Ų6672.2 Ų72.246%0.46237%0.366SS..Hα-helixtrans-62.9-35.5176.858.30000112.8H286 E300 L301 I302H286-S298 PolarHBondContact CD2-N 3.15Å; H286-S298 PolarHBondContact NE2-N 3.29Å; S298-E300 VanDerWaalsContact C-N 3.33Å; S298-E300 PolarHBondContact O-N 3.22Å; S298-L301 WeakPolarHBondContact O-CB 3.24Å; S298-L301 PolarHBondContact O-N 2.82Å; S298-I302 WeakPolarHBondContact O-CG1 3.47Å; S298-I302 PolarHBondContact O-N 3.18Å
299G90.5Very high92.2Very high42 Ų4275.1 Ų75.143%0.43338%0.379SS..Hα-helixtrans-63.8-3617700000113.1T297 R303T297-G299 VanDerWaalsContact C-N 3.3Å; T297-G299 PolarHBondContact O-N 3.41Å; G299-R303 WeakPolarHBondContact O-CB 3.28Å; G299-R303 PolarHBondContact O-N 3.32Å
300E92.7Very high92.2Very high58 Ų5868.9 Ų68.927%0.27136%0.358SS..Hα-helixtrans-64.7-43.4172.3-77.9171.9169.600112.1F295 T296 T297 S298 R303 H304F295-E300 HydrophobicContact CB-CB 3.77Å; F295-E300 HydrophobicContact CD1-CB 3.83Å; F295-E300 HydrophobicContact CG-CB 4Å; T296-E300 PolarHBondContact N-OE2 2.83Å; T296-E300 PolarHBondContact OG1-OE2 3.08Å; T297-E300 PolarHBondContact N-OE2 3.39Å; T297-E300 WeakPolarHBondContact O-CB 3.05Å; T297-E300 PolarHBondContact O-N 3.05Å; T297-E300 VanDerWaalsContact OG1-CG 3.24Å; T297-E300 WeakPolarHBondContact OG1-CG 3.44Å; T297-E300 PolarHBondContact OG1-N 3.21Å; S298-E300 VanDerWaalsContact C-N 3.33Å; S298-E300 PolarHBondContact O-N 3.22Å; E300-R303 PolarHBondContact O-N 3.1Å; E300-H304 WeakPolarHBondContact O-CB 3.44Å; E300-H304 PolarHBondContact O-N 3.15Å
301L93.1Very high92.2Very high33 Ų3369.2 Ų69.217%0.17336%0.358CS..Hα-helixtrans-60.8-49.1175.7171.561.7000111.3H286 Q287 C288 F295 T297 S298 R303 H304 V305H286-L301 HydrophobicContact CB-CB 4.04Å; H286-L301 HydrophobicContact CB-CD2 3.94Å; Q287-L301 WeakPolarHBondContact O-CD2 3.46Å; C288-L301 HydrophobicContact CB-CD1 3.73Å; F295-L301 HydrophobicContact CB-CB 4.31Å; F295-L301 HydrophobicContact CD2-CB 3.85Å; F295-L301 HydrophobicContact CD2-CD1 3.82Å; F295-L301 HydrophobicContact CD2-CG 4.46Å; F295-L301 HydrophobicContact CE2-CD1 4.04Å; F295-L301 HydrophobicContact CG-CB 4.32Å; T297-L301 PolarHBondContact O-N 3.34Å; S298-L301 WeakPolarHBondContact O-CB 3.24Å; S298-L301 PolarHBondContact O-N 2.82Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 3.03Å; L301-H304 WeakPolarHBondContact O-CB 3.25Å; L301-H304 PolarHBondContact O-N 2.97Å; L301-H304 VanDerWaalsContact O-N 3.14Å; L301-V305 HydrophobicContact CD1-CG2 4.03Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-V305 PolarHBondContact O-N 2.75Å
302I92.4Very high92.1Very high84 Ų8472.1 Ų72.143%0.43137%0.368SS..Hα-helixtrans-59-46.2178.3-67.7166.3000110.5S298 H304 V305 R306S298-I302 WeakPolarHBondContact O-CG1 3.47Å; S298-I302 PolarHBondContact O-N 3.18Å; I302-H304 VanDerWaalsContact C-N 3.31Å; I302-H304 PolarHBondContact O-N 3.4Å; I302-V305 PolarHBondContact O-N 2.93Å; I302-R306 WeakPolarHBondContact O-CG 3.37Å; I302-R306 PolarHBondContact O-N 3.32Å
303R92.5Very high92.2Very high104 Ų10469.2 Ų69.239%0.39235%0.348SS..Hα-helixtrans-61.4-40.7176.9179.4174.957.8-159-6.9111.8G299 E300 L301 Y307 V325 E326G299-R303 WeakPolarHBondContact O-CB 3.28Å; G299-R303 PolarHBondContact O-N 3.32Å; E300-R303 PolarHBondContact O-N 3.1Å; L301-R303 VanDerWaalsContact C-N 3.33Å; L301-R303 PolarHBondContact O-N 3.03Å; R303-Y307 VanDerWaalsContact O-CB 3.31Å; R303-Y307 WeakPolarHBondContact O-CB 3.15Å; R303-Y307 PolarHBondContact O-N 3.37Å; R303-V325 HydrophobicContact CG-CG1 4.04Å; R303-E326 VanDerWaalsContact CD-CG 3.48Å; R303-E326 WeakPolarHBondContact CD-OE2 3.45Å; R303-E326 HydrophobicContact CG-CG 4.17Å; R303-E326 IonicContact CZ-OE2 3.87Å; R303-E326 IonicContact NE-OE2 3.84Å; R303-E326 IonicContact NH1-OE2 3.68Å; R303-E326 PolarHBondContact NH1-OE2 3.2Å
304H93.5Very high92.2Very high20 Ų2066.9 Ų66.99%0.09334%0.339CS..Hα-helixtrans-61.4-48.6175.3160.780000111.4C288 C291 F295 E300 L301 I302 R306 Y307 K308 H309C288-H304 PolarHBondContact SG-NE2 2.99Å; C288-H304 VanDerWaalsContact SG-NE2 3.37Å; C291-H304 PolarHBondContact SG-CE1 2.07Å; C291-H304 PolarHBondContact SG-NE2 2.79Å; F295-H304 HydrophobicContact CD2-CB 4.49Å; F295-H304 HydrophobicContact CE1-CB 3.94Å; F295-H304 HydrophobicContact CE2-CB 3.66Å; F295-H304 AromaticContact CE2-CD2 3.54Å; F295-H304 AromaticContact CE2-CG 3.46Å; F295-H304 VanDerWaalsContact CE2-CG 3.46Å; F295-H304 HydrophobicContact CZ-CB 3.35Å; F295-H304 AromaticContact CZ-CD2 3.77Å; F295-H304 AromaticContact CZ-CG 3.21Å; F295-H304 AromaticContact CZ-ND1 3.49Å; F295-H304 WeakPolarHBondContact CZ-ND1 3.1Å; E300-H304 WeakPolarHBondContact O-CB 3.44Å; E300-H304 PolarHBondContact O-N 3.15Å; L301-H304 WeakPolarHBondContact O-CB 3.25Å; L301-H304 PolarHBondContact O-N 2.97Å; L301-H304 VanDerWaalsContact O-N 3.14Å; I302-H304 VanDerWaalsContact C-N 3.31Å; I302-H304 PolarHBondContact O-N 3.4Å; H304-R306 VanDerWaalsContact C-N 3.35Å; H304-R306 PolarHBondContact O-N 2.84Å; H304-Y307 PolarHBondContact O-N 3.22Å; H304-Y307 VanDerWaalsContact O-N 3.15Å; H304-K308 WeakPolarHBondContact O-CB 3.2Å; H304-K308 PolarHBondContact O-N 3.25Å; H304-H309 AromaticContact CE1-NE2 3.93Å; H304-H309 AromaticContact NE2-CD2 3.65Å; H304-H309 AromaticContact NE2-NE2 3.3Å; H304-H309 PolarHBondContact NE2-NE2 2.81Å
305V93.9Very high92.3Very high39 Ų3968 Ų6824%0.23634%0.339CS..Hα-helixtrans-58.8-47.1178.1172.70000111L301 I302 Y307 H309 T310L301-V305 HydrophobicContact CD1-CG2 4.03Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-V305 PolarHBondContact O-N 2.75Å; I302-V305 PolarHBondContact O-N 2.93Å; V305-Y307 VanDerWaalsContact C-N 3.31Å; V305-Y307 PolarHBondContact O-N 2.87Å; V305-H309 HydrophobicContact CG1-CB 4.39Å; V305-H309 WeakPolarHBondContact O-CA 3.34Å; V305-H309 WeakPolarHBondContact O-CB 3.45Å; V305-H309 PolarHBondContact O-N 3.16Å; V305-T310 HydrophobicContact CG1-CG2 4.04Å; V305-T310 PolarHBondContact O-N 3.25Å
306R94.8Very high92.4Very high64 Ų6474 Ų7424%0.24237%0.365CS..Iπ-helixtrans-59.4-40.4175.8-72.7-179.6-179.2165.61.9113I302 H304 T310 M311 E312 V325I302-R306 WeakPolarHBondContact O-CG 3.37Å; I302-R306 PolarHBondContact O-N 3.32Å; H304-R306 VanDerWaalsContact C-N 3.35Å; H304-R306 PolarHBondContact O-N 2.84Å; R306-T310 WeakPolarHBondContact CA-OG1 3.44Å; R306-M311 CarbonylContact O-C 3.59Å; R306-M311 WeakPolarHBondContact O-CA 3.5Å; R306-M311 PolarHBondContact O-N 2.79Å; R306-E312 HydrophobicContact CG-CB 4.41Å; R306-E312 IonicContact NE-OE2 2.74Å; R306-E312 PolarHBondContact O-N 2.76Å; R306-V325 HydrophobicContact CB-CB 4.5Å; R306-V325 HydrophobicContact CB-CG1 3.48Å; R306-V325 VanDerWaalsContact CB-CG1 3.48Å; R306-V325 HydrophobicContact CB-CG2 4.23Å; R306-V325 HydrophobicContact CG-CG1 4.35Å
307Y92.6Very high92.7Very high146 Ų14673.9 Ų73.957%0.57337%0.365SS*.Iπ-helixtrans-78.2-35.8-176.8-169.5-92.9000114R303 H304 V305 V325R303-Y307 VanDerWaalsContact O-CB 3.31Å; R303-Y307 WeakPolarHBondContact O-CB 3.15Å; R303-Y307 PolarHBondContact O-N 3.37Å; H304-Y307 PolarHBondContact O-N 3.22Å; H304-Y307 VanDerWaalsContact O-N 3.15Å; V305-Y307 VanDerWaalsContact C-N 3.31Å; V305-Y307 PolarHBondContact O-N 2.87Å; Y307-V325 HydrophobicContact CD2-CG2 4.16Å
308K92.9Very high92.8Very high135 Ų13577 Ų7759%0.58739%0.385SS*.Iπ-helixtrans-106.8-31-169.8-73-61.6-169.3168.40114.8H304H304-K308 WeakPolarHBondContact O-CB 3.2Å; H304-K308 PolarHBondContact O-N 3.25Å
309H93.3Very high92.9Very high66 Ų6678.2 Ų78.231%0.30639%0.389SS..Iπ-helixtrans-111.7-52.1-169.8-64.1-64.8000112.2C288 L290 C291 H304 V305C288-H309 PolarHBondContact SG-NE2 3.17Å; C288-H309 VanDerWaalsContact SG-NE2 3.44Å; L290-H309 VanDerWaalsContact CB-CE1 3.4Å; L290-H309 WeakPolarHBondContact CB-CE1 3.42Å; L290-H309 HydrophobicContact CD1-CB 3.49Å; L290-H309 VanDerWaalsContact CD1-CB 3.49Å; L290-H309 PolarHBondContact O-CE1 3.11Å; C291-H309 PolarHBondContact SG-NE2 3.09Å; H304-H309 AromaticContact CE1-NE2 3.93Å; H304-H309 AromaticContact NE2-CD2 3.65Å; H304-H309 AromaticContact NE2-NE2 3.3Å; H304-H309 PolarHBondContact NE2-NE2 2.81Å; V305-H309 HydrophobicContact CG1-CB 4.39Å; V305-H309 WeakPolarHBondContact O-CA 3.34Å; V305-H309 WeakPolarHBondContact O-CB 3.45Å; V305-H309 PolarHBondContact O-N 3.16Å
310T93.3Very high93.1Very high76 Ų7678.3 Ų78.347%0.46638%0.382SS..Iπ-helixtrans-90.5-18.7-176.765.90000113.3V305 R306 E312V305-T310 HydrophobicContact CG1-CG2 4.04Å; V305-T310 PolarHBondContact O-N 3.25Å; R306-T310 WeakPolarHBondContact CA-OG1 3.44Å; T310-E312 PolarHBondContact O-N 3.22Å; T310-E312 WeakPolarHBondContact OG1-CB 3.44Å; T310-E312 PolarHBondContact OG1-N 3.47Å
311M91.8Very high93.2Very high121 Ų12183.3 Ų83.360%0.59641%0.411SS*.  trans55.419.1-172.6-59.5-63.6-72.300113.6R306 K313R306-M311 CarbonylContact O-C 3.59Å; R306-M311 WeakPolarHBondContact O-CA 3.5Å; R306-M311 PolarHBondContact O-N 2.79Å; M311-K313 PolarHBondContact O-N 2.61Å
312E91.3Very high93.2Very high96 Ų9686 Ų8645%0.44942%0.419SS..  trans-70.6126.5-178.4-170-164.6168.100109.9R306 T310 P314 V325R306-E312 HydrophobicContact CG-CB 4.41Å; R306-E312 IonicContact NE-OE2 2.74Å; R306-E312 PolarHBondContact O-N 2.76Å; T310-E312 PolarHBondContact O-N 3.22Å; T310-E312 WeakPolarHBondContact OG1-CB 3.44Å; T310-E312 PolarHBondContact OG1-N 3.47Å; E312-P314 HydrophobicContact CG-CG 4.26Å; E312-P314 WeakPolarHBondContact O-CD 3.34Å; E312-V325 WeakPolarHBondContact O-CG2 3.33Å
313K93.2Very high93.3Very high97 Ų9783 Ų8342%0.42241%0.407SS..  trans-123.682.6-179.3-70.1167.4175.3-176.70109.5M311 H315 A323 S324 V325M311-K313 PolarHBondContact O-N 2.61Å; K313-H315 PolarHBondContact O-N 3.32Å; K313-A323 HydrophobicContact CB-CB 3.63Å; K313-A323 HydrophobicContact CD-CB 4.16Å; K313-A323 WeakPolarHBondContact CD-O 3.22Å; K313-S324 CarbonylContact C-O 3.55Å; K313-S324 WeakPolarHBondContact CA-O 3.24Å; K313-V325 HydrophobicContact CG-CG2 4.24Å
314P92Very high93.4Very high51 Ų5178.6 Ų78.633%0.33139%0.392SS..  trans-62.1-30.2-172.8-24.134.9000113.3E312 K316E312-P314 HydrophobicContact CG-CG 4.26Å; E312-P314 WeakPolarHBondContact O-CD 3.34Å; P314-K316 PolarHBondContact O-N 3.34Å
315H93.8Very high93.4Very high49 Ų4978.2 Ų78.223%0.22739%0.392CS..EExtended strand (participates in β ladder)trans-94.699-173.3-53.3-62.3000110.6K313 A323 S324 V325 E326 L327 L330K313-H315 PolarHBondContact O-N 3.32Å; H315-A323 CarbonylContact O-C 3.59Å; H315-A323 VanDerWaalsContact O-CA 3.28Å; H315-A323 WeakPolarHBondContact O-CA 3.26Å; H315-S324 WeakPolarHBondContact CB-O 3.28Å; H315-S324 PolarHBondContact N-O 3.43Å; H315-S324 PolarHBondContact O-N 3.28Å; H315-V325 PolarHBondContact CD2-O 3.45Å; H315-V325 VanDerWaalsContact CD2-O 3.31Å; H315-E326 VanDerWaalsContact CD2-C 3.43Å; H315-L327 PolarHBondContact CD2-N 3.31Å; H315-L327 PolarHBondContact NE2-N 3.06Å; H315-L330 HydrophobicContact CB-CB 4.05Å; H315-L330 HydrophobicContact CB-CD2 3.71Å; H315-L330 HydrophobicContact CB-CG 4.46Å
316K93.8Very high93.3Very high158 Ų15878.9 Ų78.969%0.68739%0.392SS*.EExtended strand (participates in β ladder)trans-93.1142.6179.7-61.2177.9-177.5174.90111.1P314 A323 L330P314-K316 PolarHBondContact O-N 3.34Å; K316-A323 HydrophobicContact CG-CB 4.06Å; K316-L330 WeakPolarHBondContact O-CD2 3.49Å
317C94.7Very high93.2Very high14 Ų1477.6 Ų77.610%0.09539%0.39CS..  trans-76.3138.4169.4-1770000109.8V319 C320 Y322 L330 H333 H337C317-V319 PolarHBondContact SG-N 2.8Å; C317-V319 VanDerWaalsContact SG-N 3.38Å; C317-C320 WeakPolarHBondContact CB-O 3.49Å; C317-C320 VanDerWaalsContact O-O 3.06Å; C317-Y322 VanDerWaalsContact CB-O 3.26Å; C317-Y322 WeakPolarHBondContact CB-O 3.47Å; C317-Y322 PolarHBondContact N-O 3.29Å; C317-L330 HydrophobicContact CB-CD1 3.8Å; C317-H333 PolarHBondContact SG-NE2 3.26Å; C317-H333 VanDerWaalsContact SG-NE2 3.35Å; C317-H337 PolarHBondContact SG-NE2 2.86Å; C317-H337 VanDerWaalsContact SG-NE2 3.42Å
318T92.9Very high93.1Very high99 Ų9974 Ų7461%0.60739%0.386SS*.SBendtrans-79.5-22.4176.550.90000112.7L35L35-T318 HydrophobicContact CD1-CG2 4.35Å
319V92.9Very high93Very high90 Ų9071 Ų7155%0.54537%0.373SS..SBendtrans-93.5-28-175.7-177.20000112.5C317 H337C317-V319 PolarHBondContact SG-N 2.8Å; C317-V319 VanDerWaalsContact SG-N 3.38Å; V319-H337 HydrophobicContact CG1-CB 4.29Å
320C93.8Very high93.1Very high45 Ų4568.1 Ų68.130%0.30436%0.36SS..SBendtrans-148.8174.3-178.377.70000112.1C317 Y322 H333 H337C317-C320 WeakPolarHBondContact CB-O 3.49Å; C317-C320 VanDerWaalsContact O-O 3.06Å; C320-Y322 PolarHBondContact O-N 2.77Å; C320-Y322 VanDerWaalsContact SG-CB 3.53Å; C320-Y322 PolarHBondContact SG-N 2.68Å; C320-H333 PolarHBondContact SG-CE1 3.45Å; C320-H333 PolarHBondContact SG-NE2 3.29Å; C320-H337 PolarHBondContact SG-NE2 3.31Å; C320-H337 VanDerWaalsContact SG-NE2 3.43Å
321N94.1Very high93Very high163 Ų16368.8 Ų68.887%0.87235%0.354SS*.SBendtrans-7310.4-177.8-62.2-41.1000114.9
322Y94.4Very high92.9Very high88 Ų8867.7 Ų67.735%0.34534%0.343SS..  trans-72.7134.3177.8-177.9-96.7000110.9C317 C320 L330 H333C317-Y322 VanDerWaalsContact CB-O 3.26Å; C317-Y322 WeakPolarHBondContact CB-O 3.47Å; C317-Y322 PolarHBondContact N-O 3.29Å; C320-Y322 PolarHBondContact O-N 2.77Å; C320-Y322 VanDerWaalsContact SG-CB 3.53Å; C320-Y322 PolarHBondContact SG-N 2.68Å; Y322-L330 HydrophobicContact CD1-CD1 4.29Å; Y322-H333 VanDerWaalsContact CB-CE1 3.49Å; Y322-H333 WeakPolarHBondContact CB-CE1 3.43Å; Y322-H333 WeakPolarHBondContact CB-NE2 3.38Å; Y322-H333 HydrophobicContact CD1-CB 3.77Å; Y322-H333 AromaticContact CD1-CD2 3.37Å; Y322-H333 WeakPolarHBondContact CD1-CD2 3.39Å; Y322-H333 AromaticContact CD1-CE1 3.96Å; Y322-H333 AromaticContact CD1-CG 3.29Å; Y322-H333 AromaticContact CD1-ND1 3.69Å; Y322-H333 AromaticContact CD1-NE2 3.79Å; Y322-H333 HydrophobicContact CE1-CB 3.58Å; Y322-H333 AromaticContact CE1-CG 3.65Å; Y322-H333 AromaticContact CG-CD2 3.87Å; Y322-H333 AromaticContact CG-CE1 3.68Å; Y322-H333 AromaticContact CG-CG 3.79Å; Y322-H333 AromaticContact CG-ND1 3.68Å; Y322-H333 AromaticContact CG-NE2 3.8Å
323A94.8Very high93Very high21 Ų2164.7 Ų64.717%0.17433%0.329CS..EExtended strand (participates in β ladder)trans-135.2151.6172.200000110.7K313 H315 K316K313-A323 HydrophobicContact CB-CB 3.63Å; K313-A323 HydrophobicContact CD-CB 4.16Å; K313-A323 WeakPolarHBondContact CD-O 3.22Å; H315-A323 CarbonylContact O-C 3.59Å; H315-A323 VanDerWaalsContact O-CA 3.28Å; H315-A323 WeakPolarHBondContact O-CA 3.26Å; K316-A323 HydrophobicContact CG-CB 4.06Å
324S93.2Very high93Very high12 Ų1261.2 Ų61.28%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-136.3155-179.6-156.40000113.4K313 H315 E326 K329K313-S324 CarbonylContact C-O 3.55Å; K313-S324 WeakPolarHBondContact CA-O 3.24Å; H315-S324 WeakPolarHBondContact CB-O 3.28Å; H315-S324 PolarHBondContact N-O 3.43Å; H315-S324 PolarHBondContact O-N 3.28Å; S324-E326 VanDerWaalsContact C-N 3.33Å; S324-K329 VanDerWaalsContact OG-CB 3.24Å; S324-K329 WeakPolarHBondContact OG-CB 3.48Å
325V93.8Very high93Very high13 Ų1361.5 Ų61.58%0.07931%0.309CS..SBendtrans-72.2-31.1171.2-178.30000111.1R303 R306 Y307 E312 K313 H315R303-V325 HydrophobicContact CG-CG1 4.04Å; R306-V325 HydrophobicContact CB-CB 4.5Å; R306-V325 HydrophobicContact CB-CG1 3.48Å; R306-V325 VanDerWaalsContact CB-CG1 3.48Å; R306-V325 HydrophobicContact CB-CG2 4.23Å; R306-V325 HydrophobicContact CG-CG1 4.35Å; Y307-V325 HydrophobicContact CD2-CG2 4.16Å; E312-V325 WeakPolarHBondContact O-CG2 3.33Å; K313-V325 HydrophobicContact CG-CG2 4.24Å; H315-V325 PolarHBondContact CD2-O 3.45Å; H315-V325 VanDerWaalsContact CD2-O 3.31Å
326E92.6Very high92.9Very high52 Ų5263.1 Ų63.124%0.24333%0.326CS..SBendtrans-115.1131.5-174-65.3-179.2-82.800111.3R303 H315 S324 S328 K329 L330R303-E326 VanDerWaalsContact CD-CG 3.48Å; R303-E326 WeakPolarHBondContact CD-OE2 3.45Å; R303-E326 HydrophobicContact CG-CG 4.17Å; R303-E326 IonicContact CZ-OE2 3.87Å; R303-E326 IonicContact NE-OE2 3.84Å; R303-E326 IonicContact NH1-OE2 3.68Å; R303-E326 PolarHBondContact NH1-OE2 3.2Å; H315-E326 VanDerWaalsContact CD2-C 3.43Å; S324-E326 VanDerWaalsContact C-N 3.33Å; E326-S328 VanDerWaalsContact C-N 3.27Å; E326-S328 PolarHBondContact O-N 3.47Å; E326-K329 HydrophobicContact CB-CB 4.32Å; E326-K329 HydrophobicContact CB-CG 3.73Å; E326-K329 HydrophobicContact CG-CG 4.47Å; E326-K329 WeakPolarHBondContact O-CB 3.45Å; E326-K329 PolarHBondContact O-N 3.17Å; E326-K329 VanDerWaalsContact O-N 3.1Å; E326-K329 WeakPolarHBondContact OE1-CE 3.17Å; E326-L330 PolarHBondContact O-N 3.37Å
327L91.7Very high92.8Very high38 Ų3859.1 Ų59.120%0.19931%0.31CS..Hα-helixtrans-58.5-37.8177.2-173.561.4000112.8L31 H315 K329 L330 R331L31-L327 HydrophobicContact CD1-CD1 3.76Å; H315-L327 PolarHBondContact CD2-N 3.31Å; H315-L327 PolarHBondContact NE2-N 3.06Å; L327-K329 VanDerWaalsContact C-N 3.25Å; L327-K329 PolarHBondContact O-N 3.23Å; L327-L330 PolarHBondContact O-N 2.98Å; L327-R331 PolarHBondContact O-N 2.92Å
328S90.3Very high92.7Very high71 Ų7161.2 Ų61.250%0.49732%0.322SS..Hα-helixtrans-61.6-33.8178.262.60000112.6E326 R332E326-S328 VanDerWaalsContact C-N 3.27Å; E326-S328 PolarHBondContact O-N 3.47Å; S328-R332 WeakPolarHBondContact O-CB 3.4Å; S328-R332 PolarHBondContact O-N 3.05Å
329K92.2Very high92.6Very high70 Ų7058.8 Ų58.830%0.30432%0.317SS..Hα-helixtrans-73.7-39176.6-57.6-68.3178.8-172.10110.8S324 E326 L327 R332 H333S324-K329 VanDerWaalsContact OG-CB 3.24Å; S324-K329 WeakPolarHBondContact OG-CB 3.48Å; E326-K329 HydrophobicContact CB-CB 4.32Å; E326-K329 HydrophobicContact CB-CG 3.73Å; E326-K329 HydrophobicContact CG-CG 4.47Å; E326-K329 WeakPolarHBondContact O-CB 3.45Å; E326-K329 PolarHBondContact O-N 3.17Å; E326-K329 VanDerWaalsContact O-N 3.1Å; E326-K329 WeakPolarHBondContact OE1-CE 3.17Å; L327-K329 VanDerWaalsContact C-N 3.25Å; L327-K329 PolarHBondContact O-N 3.23Å; K329-R332 PolarHBondContact O-N 3.37Å; K329-H333 WeakPolarHBondContact O-CB 3.46Å; K329-H333 PolarHBondContact O-N 2.85Å
330L93.8Very high92.6Very high7 Ų758.4 Ų58.44%0.03731%0.309CS..Hα-helixtrans-62.6-48.5172.117964.1000111.1H315 K316 C317 Y322 E326 L327 R332 H333 I334H315-L330 HydrophobicContact CB-CB 4.05Å; H315-L330 HydrophobicContact CB-CD2 3.71Å; H315-L330 HydrophobicContact CB-CG 4.46Å; K316-L330 WeakPolarHBondContact O-CD2 3.49Å; C317-L330 HydrophobicContact CB-CD1 3.8Å; Y322-L330 HydrophobicContact CD1-CD1 4.29Å; E326-L330 PolarHBondContact O-N 3.37Å; L327-L330 PolarHBondContact O-N 2.98Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.4Å; L330-H333 CarbonylContact O-C 3.31Å; L330-H333 WeakPolarHBondContact O-CA 3.29Å; L330-H333 WeakPolarHBondContact O-CB 3.29Å; L330-H333 PolarHBondContact O-N 2.59Å; L330-I334 HydrophobicContact CD1-CD1 4.4Å; L330-I334 HydrophobicContact CD1-CG1 4.34Å; L330-I334 HydrophobicContact CG-CD1 4.02Å; L330-I334 HydrophobicContact CG-CG1 4.42Å; L330-I334 WeakPolarHBondContact O-CG1 3.24Å; L330-I334 PolarHBondContact O-N 3.37Å
331R91.5Very high92.5Very high90 Ų9062.7 Ų62.734%0.3432%0.319SS..Hα-helixtrans-55.1-46.1175.7-76.3-179.3177.6-178-2.1111.9L31 L327 H333 I334 R335L31-R331 HydrophobicContact CD2-CG 3.97Å; L327-R331 PolarHBondContact O-N 2.92Å; R331-H333 VanDerWaalsContact C-N 3.31Å; R331-H333 PolarHBondContact O-N 3.46Å; R331-I334 PolarHBondContact O-N 3.09Å; R331-R335 PolarHBondContact O-N 2.77Å
332R90.2Very high92.4Very high97 Ų9757.6 Ų57.637%0.36630%0.295SS..Hα-helixtrans-63.7-36.1175-177.3178.862170.22.3112.6S328 K329 L330 D354S328-R332 WeakPolarHBondContact O-CB 3.4Å; S328-R332 PolarHBondContact O-N 3.05Å; K329-R332 PolarHBondContact O-N 3.37Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 3.4Å; R332-D354 WeakPolarHBondContact CD-OD2 3.45Å; R332-D354 IonicContact CZ-OD2 3.83Å; R332-D354 IonicContact NE-OD2 3.38Å; R332-D354 IonicContact NH1-OD2 3Å; R332-D354 PolarHBondContact NH1-OD2 3.42Å
333H93.1Very high92.3Very high33 Ų3357.1 Ų57.115%0.15329%0.293CS..Hα-helixtrans-67-42.3175.4165.375.6000111.6C317 C320 Y322 K329 L330 R331 R335 S336 H337C317-H333 PolarHBondContact SG-NE2 3.26Å; C317-H333 VanDerWaalsContact SG-NE2 3.35Å; C320-H333 PolarHBondContact SG-CE1 3.45Å; C320-H333 PolarHBondContact SG-NE2 3.29Å; Y322-H333 VanDerWaalsContact CB-CE1 3.49Å; Y322-H333 WeakPolarHBondContact CB-CE1 3.43Å; Y322-H333 WeakPolarHBondContact CB-NE2 3.38Å; Y322-H333 HydrophobicContact CD1-CB 3.77Å; Y322-H333 AromaticContact CD1-CD2 3.37Å; Y322-H333 WeakPolarHBondContact CD1-CD2 3.39Å; Y322-H333 AromaticContact CD1-CE1 3.96Å; Y322-H333 AromaticContact CD1-CG 3.29Å; Y322-H333 AromaticContact CD1-ND1 3.69Å; Y322-H333 AromaticContact CD1-NE2 3.79Å; Y322-H333 HydrophobicContact CE1-CB 3.58Å; Y322-H333 AromaticContact CE1-CG 3.65Å; Y322-H333 AromaticContact CG-CD2 3.87Å; Y322-H333 AromaticContact CG-CE1 3.68Å; Y322-H333 AromaticContact CG-CG 3.79Å; Y322-H333 AromaticContact CG-ND1 3.68Å; Y322-H333 AromaticContact CG-NE2 3.8Å; K329-H333 WeakPolarHBondContact O-CB 3.46Å; K329-H333 PolarHBondContact O-N 2.85Å; L330-H333 CarbonylContact O-C 3.31Å; L330-H333 WeakPolarHBondContact O-CA 3.29Å; L330-H333 WeakPolarHBondContact O-CB 3.29Å; L330-H333 PolarHBondContact O-N 2.59Å; R331-H333 VanDerWaalsContact C-N 3.31Å; R331-H333 PolarHBondContact O-N 3.46Å; H333-R335 PolarHBondContact O-N 3.5Å; H333-R335 VanDerWaalsContact O-N 3.11Å; H333-S336 WeakPolarHBondContact O-CB 3.38Å; H333-S336 PolarHBondContact O-N 2.91Å; H333-S336 PolarHBondContact O-OG 3.47Å; H333-H337 AromaticContact CD2-NE2 3.93Å; H333-H337 AromaticContact CE1-NE2 3.46Å; H333-H337 PolarHBondContact CE1-NE2 3.21Å; H333-H337 AromaticContact NE2-CD2 3.77Å; H333-H337 AromaticContact NE2-CE1 3.97Å; H333-H337 AromaticContact NE2-NE2 3Å; H333-H337 PolarHBondContact NE2-NE2 3.01Å
334I92.8Very high92.2Very high25 Ų2565.6 Ų65.613%0.12832%0.32CS..Hα-helixtrans-56.2-32.9178.8-69.2166000111.6L31 L330 R331 S336 H337 T338L31-I334 HydrophobicContact CD2-CD1 4.31Å; L330-I334 HydrophobicContact CD1-CD1 4.4Å; L330-I334 HydrophobicContact CD1-CG1 4.34Å; L330-I334 HydrophobicContact CG-CD1 4.02Å; L330-I334 HydrophobicContact CG-CG1 4.42Å; L330-I334 WeakPolarHBondContact O-CG1 3.24Å; L330-I334 PolarHBondContact O-N 3.37Å; R331-I334 PolarHBondContact O-N 3.09Å; I334-S336 PolarHBondContact O-N 3.13Å; I334-S336 VanDerWaalsContact O-N 3.09Å; I334-H337 WeakPolarHBondContact O-CB 3.24Å; I334-H337 PolarHBondContact O-N 3.01Å; I334-T338 HydrophobicContact CG2-CG2 4.11Å; I334-T338 PolarHBondContact O-N 3.49Å; I334-T338 VanDerWaalsContact O-N 3.15Å
335R92.7Very high92.3Very high56 Ų5665.5 Ų65.521%0.21132%0.32CS..Hα-helixtrans-59.3-19.6173.4-61-172.4-176.1134.86.6114.8R331 H333 H337 T338 G339 E340 P353R331-R335 PolarHBondContact O-N 2.77Å; H333-R335 PolarHBondContact O-N 3.5Å; H333-R335 VanDerWaalsContact O-N 3.11Å; R335-H337 VanDerWaalsContact C-N 3.31Å; R335-T338 WeakPolarHBondContact CA-OG1 3.34Å; R335-G339 PolarHBondContact O-N 2.9Å; R335-G339 VanDerWaalsContact O-N 3.13Å; R335-E340 HydrophobicContact CB-CB 4.48Å; R335-E340 HydrophobicContact CG-CB 4.31Å; R335-E340 IonicContact NE-OE2 3.43Å; R335-E340 PolarHBondContact NE-OE2 3.26Å; R335-P353 HydrophobicContact CB-CB 4.03Å; R335-P353 WeakPolarHBondContact CD-O 3.37Å; R335-P353 PolarHBondContact NH1-O 3.44Å
336S92.1Very high92.3Very high83 Ų8370.2 Ų70.258%0.5835%0.351SS*.Hα-helixtrans-74.8-23.5172.470.10000113H333 I334H333-S336 WeakPolarHBondContact O-CB 3.38Å; H333-S336 PolarHBondContact O-N 2.91Å; H333-S336 PolarHBondContact O-OG 3.47Å; I334-S336 PolarHBondContact O-N 3.13Å; I334-S336 VanDerWaalsContact O-N 3.09Å
337H91.8Very high92.2Very high74 Ų7473.5 Ų73.534%0.34337%0.366SS..Hα-helixtrans-85.9-43.2175.4-59.8-53.2000111.3C317 V319 C320 H333 I334 R335 G339C317-H337 PolarHBondContact SG-NE2 2.86Å; C317-H337 VanDerWaalsContact SG-NE2 3.42Å; V319-H337 HydrophobicContact CG1-CB 4.29Å; C320-H337 PolarHBondContact SG-NE2 3.31Å; C320-H337 VanDerWaalsContact SG-NE2 3.43Å; H333-H337 AromaticContact CD2-NE2 3.93Å; H333-H337 AromaticContact CE1-NE2 3.46Å; H333-H337 PolarHBondContact CE1-NE2 3.21Å; H333-H337 AromaticContact NE2-CD2 3.77Å; H333-H337 AromaticContact NE2-CE1 3.97Å; H333-H337 AromaticContact NE2-NE2 3Å; H333-H337 PolarHBondContact NE2-NE2 3.01Å; I334-H337 WeakPolarHBondContact O-CB 3.24Å; I334-H337 PolarHBondContact O-N 3.01Å; R335-H337 VanDerWaalsContact C-N 3.31Å; H337-G339 VanDerWaalsContact C-N 3.31Å; H337-G339 PolarHBondContact O-N 3.46Å
338T92.1Very high92.3Very high59 Ų5974.1 Ų74.136%0.36237%0.373SS..Hα-helixtrans-77.6-17.1-178.664.20000113.5V38 I334 R335 E340V38-T338 HydrophobicContact CG2-CG2 4.15Å; I334-T338 HydrophobicContact CG2-CG2 4.11Å; I334-T338 PolarHBondContact O-N 3.49Å; I334-T338 VanDerWaalsContact O-N 3.15Å; R335-T338 WeakPolarHBondContact CA-OG1 3.34Å; T338-E340 PolarHBondContact O-N 3.02Å; T338-E340 WeakPolarHBondContact OG1-CB 3.4Å; T338-E340 PolarHBondContact OG1-N 2.83Å
339G90.5Very high92.5Very high48 Ų4880.3 Ų80.350%0.49539%0.394SS..  trans72.55.1-172.700000114.1R335 H337 R341R335-G339 PolarHBondContact O-N 2.9Å; R335-G339 VanDerWaalsContact O-N 3.13Å; H337-G339 VanDerWaalsContact C-N 3.31Å; H337-G339 PolarHBondContact O-N 3.46Å; G339-R341 PolarHBondContact O-N 3.19Å
340E92.5Very high92.5Very high82 Ų8280.8 Ų80.838%0.38339%0.394SS..  trans-61.3127-178.1-167.1-160179.800111.3R335 T338 P342R335-E340 HydrophobicContact CB-CB 4.48Å; R335-E340 HydrophobicContact CG-CB 4.31Å; R335-E340 IonicContact NE-OE2 3.43Å; R335-E340 PolarHBondContact NE-OE2 3.26Å; T338-E340 PolarHBondContact O-N 3.02Å; T338-E340 WeakPolarHBondContact OG1-CB 3.4Å; T338-E340 PolarHBondContact OG1-N 2.83Å; E340-P342 HydrophobicContact CG-CG 3.94Å; E340-P342 WeakPolarHBondContact OE1-CG 3.32Å
341R92.6Very high92.5Very high135 Ų13581.3 Ų81.351%0.50940%0.4SS..  trans-128.477.5179.6-70169.5176-126.112.7110.8G339 Y343 A351 S352G339-R341 PolarHBondContact O-N 3.19Å; R341-Y343 PolarHBondContact O-N 3.01Å; R341-A351 HydrophobicContact CB-CB 3.62Å; R341-A351 WeakPolarHBondContact CD-O 3.43Å; R341-A351 PolarHBondContact NH1-O 3.35Å; R341-S352 CarbonylContact C-O 3.57Å; R341-S352 WeakPolarHBondContact CA-O 3.49Å
342P90.8Very high92.4Very high56 Ų5677 Ų7736%0.36438%0.384SS..  trans-66.2-24.9-172.5-22.234.5000114.1E340E340-P342 HydrophobicContact CG-CG 3.94Å; E340-P342 WeakPolarHBondContact OE1-CG 3.32Å
343Y93.6Very high92.4Very high78 Ų7873.4 Ų73.431%0.30637%0.373SS..EExtended strand (participates in β ladder)trans-100.499.9-169.7-54.3-73.6000110.5R341 A351 S352 T355R341-Y343 PolarHBondContact O-N 3.01Å; Y343-A351 CarbonylContact O-C 3.39Å; Y343-A351 WeakPolarHBondContact O-CA 3.37Å; Y343-S352 WeakPolarHBondContact CB-O 3.35Å; Y343-S352 WeakPolarHBondContact CD2-O 3.31Å; Y343-S352 PolarHBondContact N-O 3.27Å; Y343-S352 VanDerWaalsContact N-O 3.11Å; Y343-S352 PolarHBondContact O-N 3.39Å; Y343-T355 HydrophobicContact CD1-CG2 3.67Å; Y343-T355 HydrophobicContact CD2-CG2 4.33Å; Y343-T355 HydrophobicContact CE1-CG2 3.29Å; Y343-T355 HydrophobicContact CE2-CG2 4.01Å; Y343-T355 HydrophobicContact CG-CG2 4.17Å; Y343-T355 VanDerWaalsContact CZ-CG2 3.47Å
344R93.3Very high92.3Very high198 Ų19872.9 Ų72.975%0.74737%0.371SS*.EExtended strand (participates in β ladder)trans-88.2144.4179.8-64-175.4178.5145.1-0.3111.9A351 L358R344-A351 HydrophobicContact CG-CB 4.11Å; R344-L358 WeakPolarHBondContact O-CD2 3.36Å
345C94.6Very high92.2Very high10 Ų1075.3 Ų75.37%0.06839%0.387CS..  trans-72.2134.1168.9-173.70000109.7Q347 Y350 L358 H361 H365C345-Q347 PolarHBondContact O-N 3.15Å; C345-Q347 PolarHBondContact SG-N 3.38Å; C345-Q347 VanDerWaalsContact SG-N 3.44Å; C345-Y350 VanDerWaalsContact CB-O 3.28Å; C345-Y350 WeakPolarHBondContact CB-O 3.46Å; C345-Y350 PolarHBondContact N-O 2.91Å; C345-L358 HydrophobicContact CB-CD1 4.05Å; C345-H361 PolarHBondContact SG-NE2 3.03Å; C345-H365 PolarHBondContact SG-NE2 2.97Å; C345-H365 VanDerWaalsContact SG-NE2 3.37Å
346P92.6Very high92.1Very high112 Ų11279 Ų7973%0.72740%0.402SS*.SBendtrans-74.1-12.4175.330-34.2000113.2L362P346-L362 HydrophobicContact CG-CD2 4.32Å
347Q91.9Very high92.1Very high122 Ų12279.2 Ų79.257%0.5739%0.392SS*.SBendtrans-113.8-9.4-172.3-70.9170.3-21.800113.9C345 H365C345-Q347 PolarHBondContact O-N 3.15Å; C345-Q347 PolarHBondContact SG-N 3.38Å; C345-Q347 VanDerWaalsContact SG-N 3.44Å; Q347-H365 PolarHBondContact OE1-CD2 3.14Å
348C93.7Very high92.1Very high51 Ų5176.9 Ų76.935%0.34538%0.382SS..SBendtrans-158176.8174.468.60000111.3Y350 H361 H365C348-Y350 PolarHBondContact O-N 3.43Å; C348-Y350 VanDerWaalsContact O-N 3.12Å; C348-Y350 VanDerWaalsContact SG-CB 3.56Å; C348-H361 VanDerWaalsContact SG-CE1 3.54Å; C348-H361 PolarHBondContact SG-NE2 3.3Å; C348-H365 PolarHBondContact SG-NE2 2.86Å; C348-H365 VanDerWaalsContact SG-NE2 3.39Å
349E93.6Very high92.2Very high200 Ų20081 Ų8194%0.93540%0.396SS*.SBendtrans-73.30.5-178.1-60.4-179.1171.400114.3A351E349-A351 PolarHBondContact O-N 3.27Å
350Y92.9Very high92.3Very high80 Ų8082.4 Ų82.431%0.31439%0.386SS..  trans-66.3124.3-179.2-176.9-98.6000111.7C345 C348 H361C345-Y350 VanDerWaalsContact CB-O 3.28Å; C345-Y350 WeakPolarHBondContact CB-O 3.46Å; C345-Y350 PolarHBondContact N-O 2.91Å; C348-Y350 PolarHBondContact O-N 3.43Å; C348-Y350 VanDerWaalsContact O-N 3.12Å; C348-Y350 VanDerWaalsContact SG-CB 3.56Å; Y350-H361 VanDerWaalsContact CB-CE1 3.48Å; Y350-H361 WeakPolarHBondContact CB-CE1 3.21Å; Y350-H361 HydrophobicContact CD1-CB 3.88Å; Y350-H361 AromaticContact CD1-CD2 3.5Å; Y350-H361 VanDerWaalsContact CD1-CD2 3.5Å; Y350-H361 WeakPolarHBondContact CD1-CD2 3.45Å; Y350-H361 AromaticContact CD1-CE1 3.76Å; Y350-H361 AromaticContact CD1-CG 3.32Å; Y350-H361 AromaticContact CD1-ND1 3.5Å; Y350-H361 WeakPolarHBondContact CD1-ND1 3.49Å; Y350-H361 AromaticContact CD1-NE2 3.76Å; Y350-H361 HydrophobicContact CE1-CB 3.66Å; Y350-H361 AromaticContact CE1-CG 3.64Å; Y350-H361 AromaticContact CE1-ND1 3.93Å; Y350-H361 AromaticContact CG-CE1 3.61Å; Y350-H361 AromaticContact CG-CG 3.96Å; Y350-H361 AromaticContact CG-ND1 3.65Å; Y350-H361 AromaticContact CG-NE2 3.89Å
351A93.6Very high92.3Very high18 Ų1879.9 Ų79.915%0.14937%0.374CS..EExtended strand (participates in β ladder)trans-118.4145.2172.500000111.6R341 Y343 R344 E349R341-A351 HydrophobicContact CB-CB 3.62Å; R341-A351 WeakPolarHBondContact CD-O 3.43Å; R341-A351 PolarHBondContact NH1-O 3.35Å; Y343-A351 CarbonylContact O-C 3.39Å; Y343-A351 WeakPolarHBondContact O-CA 3.37Å; R344-A351 HydrophobicContact CG-CB 4.11Å; E349-A351 PolarHBondContact O-N 3.27Å
352S89.9Confident92.4Very high0 Ų076 Ų760%036%0.363CS..EExtended strand (participates in β ladder)trans-125.1145.3-174.4175.10000112.2R341 Y343 D354 K357R341-S352 CarbonylContact C-O 3.57Å; R341-S352 WeakPolarHBondContact CA-O 3.49Å; Y343-S352 WeakPolarHBondContact CB-O 3.35Å; Y343-S352 WeakPolarHBondContact CD2-O 3.31Å; Y343-S352 PolarHBondContact N-O 3.27Å; Y343-S352 VanDerWaalsContact N-O 3.11Å; Y343-S352 PolarHBondContact O-N 3.39Å; S352-D354 PolarHBondContact O-N 3.05Å; S352-D354 PolarHBondContact OG-N 3.07Å; S352-D354 VanDerWaalsContact OG-N 3.11Å; S352-D354 PolarHBondContact OG-O 3.26Å; S352-K357 WeakPolarHBondContact OG-CB 3.5Å
353P90.3Very high92.5Very high22 Ų2275.4 Ų75.414%0.14335%0.354CS..SBendtrans-76.5-9.4171.832.5-36.1000113.5R335 K357R335-P353 HydrophobicContact CB-CB 4.03Å; R335-P353 WeakPolarHBondContact CD-O 3.37Å; R335-P353 PolarHBondContact NH1-O 3.44Å; P353-K357 HydrophobicContact CG-CD 4.29Å
354D89.8Confident92.4Very high21 Ų2176.7 Ų76.711%0.11237%0.37CS..SBendtrans-141.6141.6-174.6-170.2-4.1000111.9R332 S352 Y356 K357 L358R332-D354 WeakPolarHBondContact CD-OD2 3.45Å; R332-D354 IonicContact CZ-OD2 3.83Å; R332-D354 IonicContact NE-OD2 3.38Å; R332-D354 IonicContact NH1-OD2 3Å; R332-D354 PolarHBondContact NH1-OD2 3.42Å; S352-D354 PolarHBondContact O-N 3.05Å; S352-D354 PolarHBondContact OG-N 3.07Å; S352-D354 VanDerWaalsContact OG-N 3.11Å; S352-D354 PolarHBondContact OG-O 3.26Å; D354-Y356 VanDerWaalsContact C-N 3.31Å; D354-Y356 PolarHBondContact O-N 3.43Å; D354-Y356 PolarHBondContact OD1-N 3.19Å; D354-K357 HydrophobicContact CB-CB 4.36Å; D354-K357 HydrophobicContact CB-CD 4.33Å; D354-K357 HydrophobicContact CB-CG 4.31Å; D354-K357 PolarHBondContact O-N 3.46Å; D354-L358 PolarHBondContact O-N 3.49Å; D354-L358 VanDerWaalsContact O-N 3.11Å
355T91.7Very high92.4Very high77 Ų7770.9 Ų70.947%0.47235%0.351SS..Hα-helixtrans-62.5-3717757.20000111.7Y343 K357 L358 K359Y343-T355 HydrophobicContact CD1-CG2 3.67Å; Y343-T355 HydrophobicContact CD2-CG2 4.33Å; Y343-T355 HydrophobicContact CE1-CG2 3.29Å; Y343-T355 HydrophobicContact CE2-CG2 4.01Å; Y343-T355 HydrophobicContact CG-CG2 4.17Å; Y343-T355 VanDerWaalsContact CZ-CG2 3.47Å; T355-K357 VanDerWaalsContact C-N 3.33Å; T355-K357 PolarHBondContact O-N 2.79Å; T355-L358 PolarHBondContact O-N 3.43Å; T355-K359 WeakPolarHBondContact O-CB 3.41Å; T355-K359 PolarHBondContact O-N 3.32Å
356Y90.3Very high92.2Very high134 Ų13474.4 Ų74.453%0.52537%0.372SS..Hα-helixtrans-62.4-42.5178.2176.8-99.7000111.8D354 K359 R360D354-Y356 VanDerWaalsContact C-N 3.31Å; D354-Y356 PolarHBondContact O-N 3.43Å; D354-Y356 PolarHBondContact OD1-N 3.19Å; Y356-K359 PolarHBondContact O-N 2.81Å; Y356-R360 WeakPolarHBondContact O-CB 3.46Å; Y356-R360 PolarHBondContact O-N 3.22Å
357K91.6Very high92.1Very high86 Ų8671.3 Ų71.337%0.37436%0.361SS..Hα-helixtrans-66.7-38.5177.1-75.7-178.8-177.3179.40111.1S352 P353 D354 T355 R360 H361S352-K357 WeakPolarHBondContact OG-CB 3.5Å; P353-K357 HydrophobicContact CG-CD 4.29Å; D354-K357 HydrophobicContact CB-CB 4.36Å; D354-K357 HydrophobicContact CB-CD 4.33Å; D354-K357 HydrophobicContact CB-CG 4.31Å; D354-K357 PolarHBondContact O-N 3.46Å; T355-K357 VanDerWaalsContact C-N 3.33Å; T355-K357 PolarHBondContact O-N 2.79Å; K357-R360 PolarHBondContact O-N 3.42Å; K357-H361 WeakPolarHBondContact O-CB 3.47Å; K357-H361 PolarHBondContact O-N 3.08Å
358L93.5Very high92.1Very high25 Ų2570.9 Ų70.913%0.13136%0.358CS..Hα-helixtrans-64.4-50.4173.818061.9000111.3R344 C345 D354 T355 R360 H361 L362R344-L358 WeakPolarHBondContact O-CD2 3.36Å; C345-L358 HydrophobicContact CB-CD1 4.05Å; D354-L358 PolarHBondContact O-N 3.49Å; D354-L358 VanDerWaalsContact O-N 3.11Å; T355-L358 PolarHBondContact O-N 3.43Å; L358-R360 PolarHBondContact O-N 3.48Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.43Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 3.11Å; L358-L362 WeakPolarHBondContact O-CG 3.23Å; L358-L362 PolarHBondContact O-N 3.11Å
359K93Very high92Very high147 Ų14774.7 Ų74.764%0.63937%0.366SS*.Hα-helixtrans-56.4-39177.7-173.2173.4-175.5172.70112.1T355 Y356T355-K359 WeakPolarHBondContact O-CB 3.41Å; T355-K359 PolarHBondContact O-N 3.32Å; Y356-K359 PolarHBondContact O-N 2.81Å
360R92.7Very high91.9Very high76 Ų7668.1 Ų68.129%0.28734%0.34SS..Hα-helixtrans-66.8-40.9173.5-177.7-178.465.5176.2-3.7112.2Y356 K357 L358 R363 Q382Y356-R360 WeakPolarHBondContact O-CB 3.46Å; Y356-R360 PolarHBondContact O-N 3.22Å; K357-R360 PolarHBondContact O-N 3.42Å; L358-R360 PolarHBondContact O-N 3.48Å; R360-R363 WeakPolarHBondContact O-CB 3.31Å; R360-R363 PolarHBondContact O-N 2.77Å; R360-Q382 HydrophobicContact CG-CG 4.39Å
361H93.6Very high91.9Very high30 Ų3067.5 Ų67.514%0.13934%0.338CS..Hα-helixtrans-63.5-39.5176.6165.281.9000111.9C345 C348 Y350 K357 L358 R363 V364 H365C345-H361 PolarHBondContact SG-NE2 3.03Å; C348-H361 VanDerWaalsContact SG-CE1 3.54Å; C348-H361 PolarHBondContact SG-NE2 3.3Å; Y350-H361 VanDerWaalsContact CB-CE1 3.48Å; Y350-H361 WeakPolarHBondContact CB-CE1 3.21Å; Y350-H361 HydrophobicContact CD1-CB 3.88Å; Y350-H361 AromaticContact CD1-CD2 3.5Å; Y350-H361 VanDerWaalsContact CD1-CD2 3.5Å; Y350-H361 WeakPolarHBondContact CD1-CD2 3.45Å; Y350-H361 AromaticContact CD1-CE1 3.76Å; Y350-H361 AromaticContact CD1-CG 3.32Å; Y350-H361 AromaticContact CD1-ND1 3.5Å; Y350-H361 WeakPolarHBondContact CD1-ND1 3.49Å; Y350-H361 AromaticContact CD1-NE2 3.76Å; Y350-H361 HydrophobicContact CE1-CB 3.66Å; Y350-H361 AromaticContact CE1-CG 3.64Å; Y350-H361 AromaticContact CE1-ND1 3.93Å; Y350-H361 AromaticContact CG-CE1 3.61Å; Y350-H361 AromaticContact CG-CG 3.96Å; Y350-H361 AromaticContact CG-ND1 3.65Å; Y350-H361 AromaticContact CG-NE2 3.89Å; K357-H361 WeakPolarHBondContact O-CB 3.47Å; K357-H361 PolarHBondContact O-N 3.08Å; L358-H361 CarbonylContact O-C 3.58Å; L358-H361 WeakPolarHBondContact O-CA 3.43Å; L358-H361 WeakPolarHBondContact O-CB 3.37Å; L358-H361 PolarHBondContact O-N 3.11Å; H361-R363 PolarHBondContact O-N 3.09Å; H361-V364 VanDerWaalsContact O-CB 3.25Å; H361-V364 WeakPolarHBondContact O-CB 3.48Å; H361-V364 WeakPolarHBondContact O-CG2 3.42Å; H361-V364 PolarHBondContact O-N 2.89Å; H361-H365 AromaticContact CE1-NE2 3.97Å; H361-H365 AromaticContact NE2-CD2 3.95Å; H361-H365 AromaticContact NE2-NE2 3.39Å; H361-H365 PolarHBondContact NE2-NE2 3.47Å
362L93.5Very high91.8Very high54 Ų5470.3 Ų70.328%0.28335%0.348SS..Hα-helixtrans-55.8-26.2177.5-67.4175.6000113.4P346 L358 V364 H365 T366P346-L362 HydrophobicContact CG-CD2 4.32Å; L358-L362 WeakPolarHBondContact O-CG 3.23Å; L358-L362 PolarHBondContact O-N 3.11Å; L362-V364 PolarHBondContact O-N 3.46Å; L362-H365 PolarHBondContact O-N 3.33Å; L362-T366 PolarHBondContact O-N 3.31Å; L362-T366 VanDerWaalsContact O-N 3.13Å
363R93.3Very high91.8Very high42 Ų4270.3 Ų70.316%0.15835%0.348CS..Hα-helixtrans-62.3-20.8174.2-60.7-178.8-176.71660.5113.9R360 H361 H365 T366 G367 E368 T381R360-R363 WeakPolarHBondContact O-CB 3.31Å; R360-R363 PolarHBondContact O-N 2.77Å; H361-R363 PolarHBondContact O-N 3.09Å; R363-H365 VanDerWaalsContact C-N 3.3Å; R363-T366 WeakPolarHBondContact CA-OG1 3.45Å; R363-G367 WeakPolarHBondContact O-CA 3.47Å; R363-G367 PolarHBondContact O-N 3.15Å; R363-E368 HydrophobicContact CB-CB 4.42Å; R363-E368 HydrophobicContact CG-CB 4.31Å; R363-E368 PolarHBondContact O-N 3.01Å; R363-T381 PolarHBondContact NH1-O 3.44Å
364V92.1Very high91.8Very high106 Ų10676.3 Ų76.364%0.64237%0.374SS*.Hα-helixtrans-66.8-37.3174.1177.90000110.3H361 L362H361-V364 VanDerWaalsContact O-CB 3.25Å; H361-V364 WeakPolarHBondContact O-CB 3.48Å; H361-V364 WeakPolarHBondContact O-CG2 3.42Å; H361-V364 PolarHBondContact O-N 2.89Å; L362-V364 PolarHBondContact O-N 3.46Å
365H91.9Very high91.5Very high76 Ų7680.2 Ų80.235%0.35239%0.391SS..Hα-helixtrans-82.9-38.4179.6-61.2-65.6000112.8C345 Q347 C348 H361 L362 R363 G367C345-H365 PolarHBondContact SG-NE2 2.97Å; C345-H365 VanDerWaalsContact SG-NE2 3.37Å; Q347-H365 PolarHBondContact OE1-CD2 3.14Å; C348-H365 PolarHBondContact SG-NE2 2.86Å; C348-H365 VanDerWaalsContact SG-NE2 3.39Å; H361-H365 AromaticContact CE1-NE2 3.97Å; H361-H365 AromaticContact NE2-CD2 3.95Å; H361-H365 AromaticContact NE2-NE2 3.39Å; H361-H365 PolarHBondContact NE2-NE2 3.47Å; L362-H365 PolarHBondContact O-N 3.33Å; R363-H365 VanDerWaalsContact C-N 3.3Å; H365-G367 VanDerWaalsContact C-N 3.27Å; H365-G367 PolarHBondContact O-N 2.94Å
366T91.8Very high91.4Very high83 Ų8378.6 Ų78.651%0.50938%0.383SS..Hα-helixtrans-77.4-15.2178.364.10000113.1L362 R363 E368L362-T366 PolarHBondContact O-N 3.31Å; L362-T366 VanDerWaalsContact O-N 3.13Å; R363-T366 WeakPolarHBondContact CA-OG1 3.45Å; T366-E368 PolarHBondContact O-N 3.08Å; T366-E368 WeakPolarHBondContact OG1-CB 3.35Å; T366-E368 WeakPolarHBondContact OG1-CG 3.42Å; T366-E368 PolarHBondContact OG1-N 2.94Å
367G89.5Confident91.3Very high48 Ų4877.5 Ų77.550%0.49538%0.383SS..  trans70.35.7-173.200000113.8R363 H365 R369R363-G367 WeakPolarHBondContact O-CA 3.47Å; R363-G367 PolarHBondContact O-N 3.15Å; H365-G367 VanDerWaalsContact C-N 3.27Å; H365-G367 PolarHBondContact O-N 2.94Å; G367-R369 PolarHBondContact O-N 3.18Å
368E92.3Very high91.2Very high112 Ų11277.8 Ų77.852%0.52339%0.385SS..  trans-61.2124.6-178.2-79.8-177.3-174.500111.9R363 T366R363-E368 HydrophobicContact CB-CB 4.42Å; R363-E368 HydrophobicContact CG-CB 4.31Å; R363-E368 PolarHBondContact O-N 3.01Å; T366-E368 PolarHBondContact O-N 3.08Å; T366-E368 WeakPolarHBondContact OG1-CB 3.35Å; T366-E368 WeakPolarHBondContact OG1-CG 3.42Å; T366-E368 PolarHBondContact OG1-N 2.94Å
369R91.7Very high91.1Very high132 Ų13282 Ų8250%0.49840%0.399SS..  trans-12483.6174.2-67.5171.7174.1-133.77.4109.3G367 Y371 R379 F380 T381G367-R369 PolarHBondContact O-N 3.18Å; R369-Y371 VanDerWaalsContact C-N 3.27Å; R369-Y371 PolarHBondContact O-N 3.23Å; R369-R379 HydrophobicContact CB-CB 3.6Å; R369-R379 PolarHBondContact NH1-O 3.35Å; R369-R379 PolarHBondContact O-NE 3.41Å; R369-R379 PolarHBondContact O-NH2 2.91Å; R369-F380 CarbonylContact C-O 3.18Å; R369-F380 VanDerWaalsContact C-O 3.31Å; R369-F380 WeakPolarHBondContact CA-O 3.39Å; R369-T381 HydrophobicContact CG-CG2 3.83Å
370P91.1Very high91Very high61 Ų6176.3 Ų76.340%0.39638%0.375SS..  trans-70-21.1-171.8-2234.7000114.2
371Y92.7Very high90.9Very high67 Ų6774.9 Ų74.926%0.26338%0.375SS..EExtended strand (participates in β ladder)trans-102118.4-170.6-54.5-76.9000110.8R369 R379 F380 T381 S383R369-Y371 VanDerWaalsContact C-N 3.27Å; R369-Y371 PolarHBondContact O-N 3.23Å; Y371-R379 CarbonylContact O-C 3.58Å; Y371-R379 VanDerWaalsContact O-CA 3.28Å; Y371-R379 WeakPolarHBondContact O-CA 3.49Å; Y371-F380 PolarHBondContact N-O 2.99Å; Y371-F380 PolarHBondContact O-N 3.22Å; Y371-T381 WeakPolarHBondContact CE2-O 3.4Å; Y371-S383 VanDerWaalsContact CE2-N 3.33Å
372Q91.5Very high90.9Very high78 Ų7876.6 Ų76.636%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-111.8137.7-177.2-176167.8-1.400110.9R379 L386Q372-R379 HydrophobicContact CB-CG 4.38Å; Q372-R379 HydrophobicContact CG-CG 4.3Å; Q372-L386 WeakPolarHBondContact O-CD2 3.34Å
373C91Very high90.8Very high0 Ų076.1 Ų76.10%038%0.384CS..  trans-80.8115.8169.2-176.40000109.4Q375 C376 Q377 Q378 F380 L386 H389C373-Q375 PolarHBondContact O-N 2.77Å; C373-Q375 VanDerWaalsContact O-N 3.16Å; C373-C376 PolarHBondContact O-N 3.23Å; C373-Q377 WeakPolarHBondContact O-CA 3.32Å; C373-Q377 PolarHBondContact O-N 3.45Å; C373-Q378 PolarHBondContact N-O 3.39Å; C373-F380 HydrophobicContact CB-CE2 4.27Å; C373-L386 HydrophobicContact CB-CD1 3.61Å; C373-H389 VanDerWaalsContact SG-CD2 3.55Å; C373-H389 PolarHBondContact SG-NE2 2.91Å; C373-H389 VanDerWaalsContact SG-NE2 3.41Å
374E88.6Confident90.8Very high147 Ų14779.2 Ų79.269%0.68740%0.404SS*.THydrogen-bonded Turntrans-60-25.6177.6-70.2155-158.700113.1Q377E374-Q377 PolarHBondContact O-NE2 3.23Å; E374-Q377 VanDerWaalsContact O-NE2 3.12Å
375Q85.3Confident90.8Very high103 Ų10376.5 Ų76.548%0.48139%0.389SS..THydrogen-bonded Turntrans-84.5-34.4-175.2-60.2-177.4-24.900114C373 I397C373-Q375 PolarHBondContact O-N 2.77Å; C373-Q375 VanDerWaalsContact O-N 3.16Å; Q375-I397 HydrophobicContact CB-CD1 3.72Å; Q375-I397 HydrophobicContact CG-CD1 4.46Å
376C88.7Confident90.8Very high44 Ų4473.9 Ų73.930%0.29738%0.378SS..THydrogen-bonded Turntrans-125.20.2-177.574.10000113.8C373 Q378 H389C373-C376 PolarHBondContact O-N 3.23Å; C376-Q378 PolarHBondContact O-N 3.29Å; C376-Q378 VanDerWaalsContact O-N 3.07Å; C376-Q378 WeakPolarHBondContact SG-CB 3.39Å; C376-Q378 PolarHBondContact SG-N 3.22Å; C376-H389 VanDerWaalsContact SG-CE1 3.51Å; C376-H389 PolarHBondContact SG-NE2 2.6Å
377Q88.2Confident90.7Very high111 Ų11176.4 Ų76.452%0.51938%0.382SS..  trans60.910.2-177.9-50.3-58.9-14.400115.4C373 E374C373-Q377 WeakPolarHBondContact O-CA 3.32Å; C373-Q377 PolarHBondContact O-N 3.45Å; E374-Q377 PolarHBondContact O-NE2 3.23Å; E374-Q377 VanDerWaalsContact O-NE2 3.12Å
378Q89.2Confident90.8Very high92 Ų9277 Ų7743%0.4338%0.382SS..  trans-68.8134.2176.5-166.2171.626.100111C373 C376 F380 H389C373-Q378 PolarHBondContact N-O 3.39Å; C376-Q378 PolarHBondContact O-N 3.29Å; C376-Q378 VanDerWaalsContact O-N 3.07Å; C376-Q378 WeakPolarHBondContact SG-CB 3.39Å; C376-Q378 PolarHBondContact SG-N 3.22Å; Q378-F380 HydrophobicContact CB-CE2 3.97Å; Q378-F380 HydrophobicContact CB-CZ 4.02Å; Q378-F380 HydrophobicContact CG-CE1 4.4Å; Q378-F380 HydrophobicContact CG-CE2 4.04Å; Q378-F380 HydrophobicContact CG-CZ 3.73Å; Q378-F380 WeakPolarHBondContact O-CD2 3.41Å; Q378-F380 VanDerWaalsContact O-CE2 3.27Å; Q378-F380 WeakPolarHBondContact O-CE2 3.38Å; Q378-H389 PolarHBondContact OE1-CE1 3.29Å; Q378-H389 PolarHBondContact OE1-ND1 3.3Å
379R92.2Very high90.7Very high112 Ų11272.6 Ų72.642%0.42336%0.361SS..EExtended strand (participates in β ladder)trans-103.3139.9-178.6-53.4-176.170.7101.2-0.8112.4R369 Y371 Q372R369-R379 HydrophobicContact CB-CB 3.6Å; R369-R379 PolarHBondContact NH1-O 3.35Å; R369-R379 PolarHBondContact O-NE 3.41Å; R369-R379 PolarHBondContact O-NH2 2.91Å; Y371-R379 CarbonylContact O-C 3.58Å; Y371-R379 VanDerWaalsContact O-CA 3.28Å; Y371-R379 WeakPolarHBondContact O-CA 3.49Å; Q372-R379 HydrophobicContact CB-CG 4.38Å; Q372-R379 HydrophobicContact CG-CG 4.3Å
380F90Very high90.5Very high29 Ų2970 Ų7013%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-125.7150.5-175.9-57.8-88000111.2R369 Y371 C373 Q378 L386 H389R369-F380 CarbonylContact C-O 3.18Å; R369-F380 VanDerWaalsContact C-O 3.31Å; R369-F380 WeakPolarHBondContact CA-O 3.39Å; Y371-F380 PolarHBondContact N-O 2.99Å; Y371-F380 PolarHBondContact O-N 3.22Å; C373-F380 HydrophobicContact CB-CE2 4.27Å; Q378-F380 HydrophobicContact CB-CE2 3.97Å; Q378-F380 HydrophobicContact CB-CZ 4.02Å; Q378-F380 HydrophobicContact CG-CE1 4.4Å; Q378-F380 HydrophobicContact CG-CE2 4.04Å; Q378-F380 HydrophobicContact CG-CZ 3.73Å; Q378-F380 WeakPolarHBondContact O-CD2 3.41Å; Q378-F380 VanDerWaalsContact O-CE2 3.27Å; Q378-F380 WeakPolarHBondContact O-CE2 3.38Å; F380-L386 HydrophobicContact CB-CB 4.42Å; F380-L386 HydrophobicContact CD2-CB 3.91Å; F380-L386 HydrophobicContact CD2-CD1 3.82Å; F380-L386 HydrophobicContact CD2-CG 4.46Å; F380-L386 HydrophobicContact CE2-CD1 3.89Å; F380-L386 HydrophobicContact CG-CB 4.29Å; F380-H389 HydrophobicContact CE1-CB 3.89Å; F380-H389 HydrophobicContact CE2-CB 3.99Å; F380-H389 AromaticContact CE2-CD2 3.73Å; F380-H389 AromaticContact CE2-CG 3.73Å; F380-H389 HydrophobicContact CZ-CB 3.45Å; F380-H389 VanDerWaalsContact CZ-CB 3.45Å; F380-H389 AromaticContact CZ-CD2 3.68Å; F380-H389 AromaticContact CZ-CE1 3.97Å; F380-H389 AromaticContact CZ-CG 3.22Å; F380-H389 AromaticContact CZ-ND1 3.46Å; F380-H389 WeakPolarHBondContact CZ-ND1 3.44Å
381T91.3Very high90Very high46 Ų4673.4 Ų73.428%0.28237%0.369SS..SBendtrans-79.3-20.1176.755.50000112.9R363 R369 Y371R363-T381 PolarHBondContact NH1-O 3.44Å; R369-T381 HydrophobicContact CG-CG2 3.83Å; Y371-T381 WeakPolarHBondContact CE2-O 3.4Å
382Q92.2Very high89.3Confident65 Ų6576 Ų7630%0.30438%0.383SS..SBendtrans-134.2144.4-176.6-53.6-173.140.600111.9R360 N384 S385 L386R360-Q382 HydrophobicContact CG-CG 4.39Å; Q382-N384 PolarHBondContact O-N 2.93Å; Q382-S385 WeakPolarHBondContact O-CB 3.49Å; Q382-S385 PolarHBondContact O-N 3.29Å; Q382-L386 PolarHBondContact O-N 2.85Å
383S92.9Very high88.5Confident44 Ų4472.3 Ų72.331%0.30837%0.366SS..Hα-helixtrans-65.3-36.2178.756.20000112.7Y371 S385 L386 K387Y371-S383 VanDerWaalsContact CE2-N 3.33Å; S383-S385 VanDerWaalsContact C-N 3.32Å; S383-S385 PolarHBondContact O-N 3.44Å; S383-L386 WeakPolarHBondContact O-CB 3.36Å; S383-L386 PolarHBondContact O-N 3.41Å; S383-K387 WeakPolarHBondContact O-CG 3.48Å; S383-K387 PolarHBondContact O-N 3.41Å
384N91.8Very high87.2Confident108 Ų10875.9 Ų75.958%0.57839%0.387SS*.Hα-helixtrans-65.9-35.3177.1-72.2-0.6000112Q382 L386 K387 A388Q382-N384 PolarHBondContact O-N 2.93Å; N384-L386 VanDerWaalsContact C-N 3.35Å; N384-K387 PolarHBondContact O-N 3.3Å; N384-A388 WeakPolarHBondContact O-CB 3.41Å; N384-A388 PolarHBondContact O-N 2.94Å
385S92.2Very high85.8Confident49 Ų4970.9 Ų70.934%0.34338%0.375SS..Hα-helixtrans-64.4-40.5172.8-53.90000111.3Q382 S383 H389Q382-S385 WeakPolarHBondContact O-CB 3.49Å; Q382-S385 PolarHBondContact O-N 3.29Å; S383-S385 VanDerWaalsContact C-N 3.32Å; S383-S385 PolarHBondContact O-N 3.44Å; S385-H389 VanDerWaalsContact O-CB 3.23Å; S385-H389 WeakPolarHBondContact O-CB 3.26Å; S385-H389 PolarHBondContact O-N 3.37Å
386L92.6Very high84.6Confident21 Ų2168.7 Ų68.711%0.1137%0.366CS..Hα-helixtrans-63.1-43.7172.2172.962.3000111.8Q372 C373 F380 Q382 S383 N384 H389 K390Q372-L386 WeakPolarHBondContact O-CD2 3.34Å; C373-L386 HydrophobicContact CB-CD1 3.61Å; F380-L386 HydrophobicContact CB-CB 4.42Å; F380-L386 HydrophobicContact CD2-CB 3.91Å; F380-L386 HydrophobicContact CD2-CD1 3.82Å; F380-L386 HydrophobicContact CD2-CG 4.46Å; F380-L386 HydrophobicContact CE2-CD1 3.89Å; F380-L386 HydrophobicContact CG-CB 4.29Å; Q382-L386 PolarHBondContact O-N 2.85Å; S383-L386 WeakPolarHBondContact O-CB 3.36Å; S383-L386 PolarHBondContact O-N 3.41Å; N384-L386 VanDerWaalsContact C-N 3.35Å; L386-H389 CarbonylContact O-C 3.4Å; L386-H389 WeakPolarHBondContact O-CB 3.47Å; L386-H389 PolarHBondContact O-N 3.17Å; L386-K390 HydrophobicContact CD1-CG 4.13Å; L386-K390 HydrophobicContact CG-CG 4.47Å; L386-K390 WeakPolarHBondContact O-CG 3.3Å; L386-K390 PolarHBondContact O-N 2.87Å
387K90.6Very high83.1Confident135 Ų13569.3 Ų69.359%0.58737%0.366SS*.Hα-helixtrans-60.6-48.8177.3-73.4-179.1179.8-176.90111.8S383 N384 H389 K390 N391S383-K387 WeakPolarHBondContact O-CG 3.48Å; S383-K387 PolarHBondContact O-N 3.41Å; N384-K387 PolarHBondContact O-N 3.3Å; K387-H389 VanDerWaalsContact C-N 3.27Å; K387-H389 PolarHBondContact O-N 3.37Å; K387-K390 PolarHBondContact O-N 3.04Å; K387-N391 PolarHBondContact O-N 3.48Å
388A89.8Confident81.5Confident61 Ų6173.2 Ų73.250%0.50438%0.376SS..Hα-helixtrans-59.9-41175.800000111.3N384 N391N384-A388 WeakPolarHBondContact O-CB 3.41Å; N384-A388 PolarHBondContact O-N 2.94Å; A388-N391 PolarHBondContact O-N 3.44Å
389H90.7Very high79.9Confident19 Ų1971.4 Ų71.49%0.08838%0.377CS..Hα-helixtrans-63.2-44.4174.4170.684.4000112.6C373 C376 Q378 F380 S385 L386 K387 N391 H392 C393C373-H389 VanDerWaalsContact SG-CD2 3.55Å; C373-H389 PolarHBondContact SG-NE2 2.91Å; C373-H389 VanDerWaalsContact SG-NE2 3.41Å; C376-H389 VanDerWaalsContact SG-CE1 3.51Å; C376-H389 PolarHBondContact SG-NE2 2.6Å; Q378-H389 PolarHBondContact OE1-CE1 3.29Å; Q378-H389 PolarHBondContact OE1-ND1 3.3Å; F380-H389 HydrophobicContact CE1-CB 3.89Å; F380-H389 HydrophobicContact CE2-CB 3.99Å; F380-H389 AromaticContact CE2-CD2 3.73Å; F380-H389 AromaticContact CE2-CG 3.73Å; F380-H389 HydrophobicContact CZ-CB 3.45Å; F380-H389 VanDerWaalsContact CZ-CB 3.45Å; F380-H389 AromaticContact CZ-CD2 3.68Å; F380-H389 AromaticContact CZ-CE1 3.97Å; F380-H389 AromaticContact CZ-CG 3.22Å; F380-H389 AromaticContact CZ-ND1 3.46Å; F380-H389 WeakPolarHBondContact CZ-ND1 3.44Å; S385-H389 VanDerWaalsContact O-CB 3.23Å; S385-H389 WeakPolarHBondContact O-CB 3.26Å; S385-H389 PolarHBondContact O-N 3.37Å; L386-H389 CarbonylContact O-C 3.4Å; L386-H389 WeakPolarHBondContact O-CB 3.47Å; L386-H389 PolarHBondContact O-N 3.17Å; K387-H389 VanDerWaalsContact C-N 3.27Å; K387-H389 PolarHBondContact O-N 3.37Å; H389-N391 PolarHBondContact O-N 3.47Å; H389-H392 CarbonylContact O-C 3.5Å; H389-H392 PolarHBondContact O-N 3.05Å; H389-C393 WeakPolarHBondContact NE2-CB 3.48Å; H389-C393 PolarHBondContact NE2-SG 3.03Å; H389-C393 VanDerWaalsContact O-CB 3.26Å; H389-C393 WeakPolarHBondContact O-CB 3.49Å; H389-C393 PolarHBondContact O-N 3.44Å
390K87.4Confident78.3Confident79 Ų7975 Ų7534%0.34339%0.39SS..Hα-helixtrans-56.4-36.6179.2-79.5-172174.1-166.60111.6L386 K387 H392 C393L386-K390 HydrophobicContact CD1-CG 4.13Å; L386-K390 HydrophobicContact CG-CG 4.47Å; L386-K390 WeakPolarHBondContact O-CG 3.3Å; L386-K390 PolarHBondContact O-N 2.87Å; K387-K390 PolarHBondContact O-N 3.04Å; K390-H392 VanDerWaalsContact C-N 3.28Å; K390-H392 PolarHBondContact O-N 3.47Å; K390-C393 PolarHBondContact O-N 3.07Å
391N81Confident76.7Confident132 Ų13278.3 Ų78.371%0.70641%0.409SS*.Hα-helixtrans-64.4-30.9176.4-63.1-13.3000113.2K387 A388 H389 T394K387-N391 PolarHBondContact O-N 3.48Å; A388-N391 PolarHBondContact O-N 3.44Å; H389-N391 PolarHBondContact O-N 3.47Å; N391-T394 PolarHBondContact O-OG1 3.16Å
392H79.2Confident75Confident121 Ų12185 Ų8556%0.5643%0.43SS*.Hα-helixtrans-94.8-28.6178.7-173.8-94.6000113H389 K390 T394 G395 M396H389-H392 CarbonylContact O-C 3.5Å; H389-H392 PolarHBondContact O-N 3.05Å; K390-H392 VanDerWaalsContact C-N 3.28Å; K390-H392 PolarHBondContact O-N 3.47Å; H392-T394 VanDerWaalsContact C-N 3.3Å; H392-T394 PolarHBondContact O-N 3.12Å; H392-G395 WeakPolarHBondContact O-CA 3.32Å; H392-G395 PolarHBondContact O-N 3.4Å; H392-M396 WeakPolarHBondContact CE1-CG 3.47Å; H392-M396 PolarHBondContact CE1-SD 3.47Å; H392-M396 VanDerWaalsContact ND1-CG 3.35Å; H392-M396 WeakPolarHBondContact ND1-CG 3.32Å; H392-M396 PolarHBondContact ND1-SD 3.06Å; H392-M396 VanDerWaalsContact ND1-SD 3.43Å; H392-M396 PolarHBondContact O-N 3.29Å; H392-M396 VanDerWaalsContact O-N 3.09Å
393C73.2Confident73.3Confident0 Ų086 Ų860%044%0.44CS..Hα-helixtrans-63.1-37.2-176.8-171.40000111.8H389 K390 G395 M396 I397H389-C393 WeakPolarHBondContact NE2-CB 3.48Å; H389-C393 PolarHBondContact NE2-SG 3.03Å; H389-C393 VanDerWaalsContact O-CB 3.26Å; H389-C393 WeakPolarHBondContact O-CB 3.49Å; H389-C393 PolarHBondContact O-N 3.44Å; K390-C393 PolarHBondContact O-N 3.07Å; C393-G395 PolarHBondContact O-N 2.84Å; C393-M396 PolarHBondContact O-N 2.89Å; C393-I397 WeakPolarHBondContact O-CG1 3.48Å; C393-I397 PolarHBondContact O-N 3.03Å; C393-I397 VanDerWaalsContact O-N 3.13Å
394T64.1Low71.6Confident75 Ų7585.9 Ų85.946%0.4645%0.445SS..Hα-helixtrans-57.4-34.2171.851.90000112.2N391 H392N391-T394 PolarHBondContact O-OG1 3.16Å; H392-T394 VanDerWaalsContact C-N 3.3Å; H392-T394 PolarHBondContact O-N 3.12Å
395G59.4Low69.7Low42 Ų4287.1 Ų87.143%0.43345%0.448SS..Hα-helixtrans-74.1-41.3174.400000113.7H392 C393 I397 R398 A399H392-G395 WeakPolarHBondContact O-CA 3.32Å; H392-G395 PolarHBondContact O-N 3.4Å; C393-G395 PolarHBondContact O-N 2.84Å; G395-I397 PolarHBondContact O-N 2.89Å; G395-R398 PolarHBondContact O-N 3.33Å; G395-A399 PolarHBondContact O-N 2.95Å
396M59.1Low67.8Low58 Ų5887.5 Ų87.529%0.28645%0.453SS..Hα-helixtrans-70-29.7-178.1-63.5-164.3-44.800113.8H392 C393 R398 A399 R400H392-M396 WeakPolarHBondContact CE1-CG 3.47Å; H392-M396 PolarHBondContact CE1-SD 3.47Å; H392-M396 VanDerWaalsContact ND1-CG 3.35Å; H392-M396 WeakPolarHBondContact ND1-CG 3.32Å; H392-M396 PolarHBondContact ND1-SD 3.06Å; H392-M396 VanDerWaalsContact ND1-SD 3.43Å; H392-M396 PolarHBondContact O-N 3.29Å; H392-M396 VanDerWaalsContact O-N 3.09Å; C393-M396 PolarHBondContact O-N 2.89Å; M396-R398 VanDerWaalsContact C-N 3.35Å; M396-A399 PolarHBondContact O-N 3.2Å; M396-R400 PolarHBondContact O-N 3.34Å
397I57.4Low66Low56 Ų5693.2 Ų93.229%0.28748%0.477SS..Hα-helixtrans-68.4-37.4177.3-65164.6000110.5Q375 C393 G395 A399 R400 N401Q375-I397 HydrophobicContact CB-CD1 3.72Å; Q375-I397 HydrophobicContact CG-CD1 4.46Å; C393-I397 WeakPolarHBondContact O-CG1 3.48Å; C393-I397 PolarHBondContact O-N 3.03Å; C393-I397 VanDerWaalsContact O-N 3.13Å; G395-I397 PolarHBondContact O-N 2.89Å; I397-A399 VanDerWaalsContact C-N 3.3Å; I397-A399 PolarHBondContact O-N 3.5Å; I397-R400 PolarHBondContact O-N 3.42Å; I397-N401 WeakPolarHBondContact O-CB 3.38Å; I397-N401 VanDerWaalsContact O-CG 3.32Å; I397-N401 PolarHBondContact O-N 3.46Å
398R55.8Low64.1Low193 Ų19390.4 Ų90.473%0.72848%0.475SS*.Hα-helixtrans-61.7-38.5172.7-67.7-179.1177.3175.8-0.8111.7G395 M396 R402G395-R398 PolarHBondContact O-N 3.33Å; M396-R398 VanDerWaalsContact C-N 3.35Å; R398-R402 WeakPolarHBondContact O-CG 3.28Å; R398-R402 PolarHBondContact O-N 3.47Å
399A56.1Low62.4Low55 Ų5591.2 Ų91.246%0.45548%0.476SS..Hα-helixtrans-69.3-44.7175.800000112.4G395 M396 I397 N401 R402 V403G395-A399 PolarHBondContact O-N 2.95Å; M396-A399 PolarHBondContact O-N 3.2Å; I397-A399 VanDerWaalsContact C-N 3.3Å; I397-A399 PolarHBondContact O-N 3.5Å; A399-N401 PolarHBondContact O-N 3.24Å; A399-R402 PolarHBondContact O-N 3.03Å; A399-V403 WeakPolarHBondContact O-CG2 3.41Å; A399-V403 PolarHBondContact O-N 3.43Å; A399-V403 VanDerWaalsContact O-N 3.14Å
400R57.4Low60.6Low186 Ų18697.8 Ų97.870%0.70251%0.505SS*.Hα-helixtrans-63.8-39.5176.4-93.5-174.6167121.8-2.8112.8M396 I397 V403 G404M396-R400 PolarHBondContact O-N 3.34Å; I397-R400 PolarHBondContact O-N 3.42Å; R400-V403 PolarHBondContact O-N 3.47Å; R400-G404 PolarHBondContact O-N 3.46Å
401N56.9Low58.8Low99 Ų9999.6 Ų99.653%0.52952%0.518SS..Hα-helixtrans-67.6-36.4177.7-74.2-15.9000112.4I397 A399 G404 Q405I397-N401 WeakPolarHBondContact O-CB 3.38Å; I397-N401 VanDerWaalsContact O-CG 3.32Å; I397-N401 PolarHBondContact O-N 3.46Å; A399-N401 PolarHBondContact O-N 3.24Å; N401-G404 PolarHBondContact O-N 2.97Å; N401-Q405 WeakPolarHBondContact O-CG 3.47Å; N401-Q405 PolarHBondContact O-N 3.45Å
402R55.2Low57.4Low188 Ų18896.7 Ų96.771%0.70951%0.508SS*.Hα-helixtrans-64.6-40.4172.2-76.6-177-171.11792.3112.5R398 A399 G404 Q405 A406R398-R402 WeakPolarHBondContact O-CG 3.28Å; R398-R402 PolarHBondContact O-N 3.47Å; A399-R402 PolarHBondContact O-N 3.03Å; R402-G404 VanDerWaalsContact C-N 3.32Å; R402-Q405 PolarHBondContact O-N 3.31Å; R402-A406 WeakPolarHBondContact O-CB 3.15Å; R402-A406 PolarHBondContact O-N 3.49Å
403V57.6Low56.1Low85 Ų8594.2 Ų94.252%0.51551%0.509SS..Hα-helixtrans-67.8-33.6176177.40000111.3A399 R400 K407A399-V403 WeakPolarHBondContact O-CG2 3.41Å; A399-V403 PolarHBondContact O-N 3.43Å; A399-V403 VanDerWaalsContact O-N 3.14Å; R400-V403 PolarHBondContact O-N 3.47Å; V403-K407 WeakPolarHBondContact O-CG 3.5Å; V403-K407 PolarHBondContact O-N 3.16Å
404G56.6Low55.1Low41 Ų4197.6 Ų97.642%0.42353%0.532SS..Hα-helixtrans-66.7-46.3172.800000113.2R400 N401 R402 K407 S408R400-G404 PolarHBondContact O-N 3.46Å; N401-G404 PolarHBondContact O-N 2.97Å; R402-G404 VanDerWaalsContact C-N 3.32Å; G404-K407 PolarHBondContact O-N 3.14Å; G404-S408 PolarHBondContact O-N 3.18Å
405Q52Low54.5Low135 Ų13599.4 Ų99.463%0.63154%0.543SS*.Hα-helixtrans-66.3-37.2176.8-75.2179.2-12.100112.6N401 R402 K407 S408 S409N401-Q405 WeakPolarHBondContact O-CG 3.47Å; N401-Q405 PolarHBondContact O-N 3.45Å; R402-Q405 PolarHBondContact O-N 3.31Å; Q405-K407 PolarHBondContact O-N 3.42Å; Q405-S408 PolarHBondContact O-N 3.47Å; Q405-S408 PolarHBondContact O-OG 2.86Å; Q405-S409 WeakPolarHBondContact O-CB 3.47Å; Q405-S409 PolarHBondContact O-N 2.86Å
406A52.4Low54.2Low56 Ų56102.6 Ų102.646%0.46356%0.559SS.*Hα-helixtrans-66.7-23.5175.400000113.2R402 K410R402-A406 WeakPolarHBondContact O-CB 3.15Å; R402-A406 PolarHBondContact O-N 3.49Å; A406-K410 WeakPolarHBondContact O-CG 3.15Å
407K53.4Low53.7Low142 Ų142103.8 Ų103.862%0.61758%0.578SS**Hα-helixtrans-86.5-37.4174.4-71.9179.1-179.9-172.80112.2V403 G404 Q405 K410 N411V403-K407 WeakPolarHBondContact O-CG 3.5Å; V403-K407 PolarHBondContact O-N 3.16Å; G404-K407 PolarHBondContact O-N 3.14Å; Q405-K407 PolarHBondContact O-N 3.42Å; K407-K410 PolarHBondContact O-N 3.1Å; K407-N411 PolarHBondContact O-N 3.27Å
408S50.9Low53Low75 Ų75111.6 Ų111.652%0.52462%0.619SS.*Hα-helixtrans-68.4-36175.875.40000112.2G404 Q405 K410 N411 S412G404-S408 PolarHBondContact O-N 3.18Å; Q405-S408 PolarHBondContact O-N 3.47Å; Q405-S408 PolarHBondContact O-OG 2.86Å; S408-K410 VanDerWaalsContact C-N 3.26Å; S408-K410 PolarHBondContact O-N 2.68Å; S408-N411 PolarHBondContact O-N 3.48Å; S408-S412 PolarHBondContact O-N 2.91Å; S408-S412 VanDerWaalsContact O-N 3.12Å; S408-S412 PolarHBondContact O-OG 3.43Å
409S53.9Low52.9Low78 Ų78107.5 Ų107.555%0.54561%0.613SS.*Hα-helixtrans-70.8-19.6178.9-155.60000113.6Q405 S412Q405-S409 WeakPolarHBondContact O-CB 3.47Å; Q405-S409 PolarHBondContact O-N 2.86Å; S409-S412 PolarHBondContact O-OG 3.18Å
410K53.5Low52.7Low158 Ų158110.3 Ų110.369%0.68762%0.622SS**Hα-helixtrans-82.6-33173-73.8-179-179.3-174.70112.2A406 K407 S408 S414A406-K410 WeakPolarHBondContact O-CG 3.15Å; K407-K410 PolarHBondContact O-N 3.1Å; S408-K410 VanDerWaalsContact C-N 3.26Å; S408-K410 PolarHBondContact O-N 2.68Å; K410-S414 PolarHBondContact O-OG 3.09Å
411N49.7Very low52.4Low117 Ų117106.1 Ų106.163%0.62662%0.617SS**Hα-helixtrans-76.7-25.6176.4-73.64.9000112.8K407 S408 S414 V415K407-N411 PolarHBondContact O-N 3.27Å; S408-N411 PolarHBondContact O-N 3.48Å; N411-S414 PolarHBondContact O-OG 3.43Å; N411-V415 VanDerWaalsContact O-CG2 3.32Å; N411-V415 WeakPolarHBondContact O-CG2 3.29Å
412S51.2Low52.2Low70 Ų70106.5 Ų106.549%0.4962%0.623SS.*Hα-helixtrans-77.2-27.8173.859.90000113.2S408 S409S408-S412 PolarHBondContact O-N 2.91Å; S408-S412 VanDerWaalsContact O-N 3.12Å; S408-S412 PolarHBondContact O-OG 3.43Å; S409-S412 PolarHBondContact O-OG 3.18Å
413A52.3Low52Low70 Ų70101.4 Ų101.458%0.57962%0.617SS**Hα-helixtrans-76.8-23.5178.800000113.4
414S52.2Low51.6Low70 Ų70102.5 Ų102.549%0.4962%0.624SS.*SBendtrans-86.3-11177.445.80000114.5K410 N411K410-S414 PolarHBondContact O-OG 3.09Å; N411-S414 PolarHBondContact O-OG 3.43Å
415V51.6Low51.3Low113 Ų113106.9 Ų106.969%0.68564%0.638SS**SBendtrans-98.5-9-178.61800000112.2N411N411-V415 VanDerWaalsContact O-CG2 3.32Å; N411-V415 WeakPolarHBondContact O-CG2 3.29Å
416S53.1Low51.2Low109 Ų109104.7 Ų104.776%0.76264%0.639SS**SBendtrans-106.413.3177.7-59.10000114
417A49.4Very low51.1Low83 Ų83108.8 Ų108.869%0.68665%0.654SS**  trans-123.713.4-177.200000114
418L42.4Very low50.9Low220 Ų220105.7 Ų105.7100%1.15266%0.657SS**  trans-123.90168.1-77.6163.5000107.3

Retrieved 418 of 418 residues in 186.6 ms (Link to these results)