A0A093HQ26_STRCA Loading...

Twist-related protein 2

AlphaFold DB , UniProt , Accession A0A093HQ26, Species STRCA (Struthio camelus australis), Gene n/a, Length 161 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
1M38Very low40.6Very low240 Ų240152 Ų152100%1.18283%0.832SS**  0126.50-96.4178.1173.700107.8
2K38.6Very low40.5Very low198 Ų198155.3 Ų155.386%0.86184%0.837SS**  trans73.4138173.5-54.7-179.7174.6-1790117.7
3E38.5Very low40Very low162 Ų162149.5 Ų149.576%0.75784%0.836SS**  cis-163.4127.5-27-88.3-138.2164.900104.1
4E46.6Very low39.8Very low170 Ų170145.7 Ų145.779%0.79482%0.824SS**  50.8120.2119.6-85.3-163.2100.500117.6
5S37.8Very low39.8Very low126 Ų126146.5 Ų146.588%0.88182%0.824SS**  174.5144.5109.442.30000111.8
6M39.7Very low39.8Very low171 Ų171144.1 Ų144.184%0.84281%0.814SS**  trans-106.7138.8-171.2-176.397.891.700110.4
7C33.9Very low39.5Very low113 Ų113139.8 Ų139.876%0.76479%0.791SS**  trans66.6164.4155-76.80000119.8
8P54.1Low39.6Very low121 Ų121138.8 Ų138.879%0.78680%0.795SS**  cis-138.3-167.7-2733.9-12.3000113.2
9D29.9Very low39.9Very low153 Ų153139.4 Ų139.482%0.81879%0.79SS**  trans100.6119.4149.6-148.640.1000119.6
10S41.9Very low39.8Very low97 Ų97138.9 Ų138.968%0.67878%0.781SS**  trans-72.4152.6165.4-79.40000109.8
11P47.8Very low39.7Very low121 Ų121140 Ų14079%0.78678%0.78SS**  -131.9139.5123.522.7-5.7000112.2G13P11-G13 PolarHBondContact O-N 2.89Å
12E39.4Very low39.9Very low192 Ų192131 Ų13190%0.89775%0.748SS**  trans-51.4116.5170.9-66.7-178.6113.600111.3S14E12-S14 PolarHBondContact O-N 2.94Å
13G34.4Very low39.9Very low80 Ų80127.5 Ų127.583%0.82574%0.735SS**  trans-78.594.7164.200000109.4P11 L15P11-G13 PolarHBondContact O-N 2.89Å; G13-L15 PolarHBondContact O-N 2.78Å; G13-L15 VanDerWaalsContact O-N 3.15Å
14S37.3Very low40Very low96 Ų96129 Ų12967%0.67173%0.734SS**  trans-42.5112.3172.9-174.50000112.4E12 V16E12-S14 PolarHBondContact O-N 2.94Å; S14-V16 PolarHBondContact O-N 3.22Å
15L39.4Very low40.1Very low157 Ų157126 Ų12682%0.82272%0.723SS**  trans-71.284162-167114.4000107.1G13 T17G13-L15 PolarHBondContact O-N 2.78Å; G13-L15 VanDerWaalsContact O-N 3.15Å; L15-T17 PolarHBondContact O-N 2.86Å
16V39.4Very low40.7Very low109 Ų109127.2 Ų127.266%0.66171%0.714SS**  trans-64.8111.1173.7-174.60000107.2S14S14-V16 PolarHBondContact O-N 3.22Å
17T34.3Very low41Very low70 Ų70126.1 Ų126.143%0.42970%0.704SS.*  trans-61.3133.6-178.751.90000109.7L15 E19L15-T17 PolarHBondContact O-N 2.86Å; T17-E19 PolarHBondContact O-N 3.46Å
18S42.5Very low41.2Very low122 Ų122128.9 Ų128.985%0.85370%0.703SS**THydrogen-bonded Turntrans-67.122.6176.4-49.40000113.9
19E45.2Very low40.8Very low150 Ų150128.1 Ų128.170%0.70170%0.7SS**THydrogen-bonded Turntrans-94.1-22.5-173-61.4-174.6124.900111.8T17 E21T17-E19 PolarHBondContact O-N 3.46Å; E19-E21 PolarHBondContact O-N 2.94Å
20E38.2Very low41.5Very low129 Ų129127.6 Ų127.660%0.60370%0.696SS**Hα-helixtrans-77.1-16.8-177.6-73.3-147.6123.400115.1
21E36.3Very low41.5Very low163 Ų163134 Ų13476%0.76271%0.705SS**Hα-helixtrans-78.6-27176-84.1-155.5110.800113.3E19 E23 R24E19-E21 PolarHBondContact O-N 2.94Å; E21-E23 PolarHBondContact O-N 3.19Å; E21-R24 PolarHBondContact O-N 3.46Å
22G41.8Very low41.3Very low50 Ų50138 Ų13852%0.51571%0.711SS.*Hα-helixtrans-67.1-36.2-178.400000113.5
23E40.5Very low41.6Very low126 Ų126140 Ų14059%0.58971%0.71SS**Hα-helixtrans-73-29.6-178.8-101.9-171.6118.100113.5E21 L25 H26E21-E23 PolarHBondContact O-N 3.19Å; E23-L25 VanDerWaalsContact C-N 3.25Å; E23-L25 PolarHBondContact O-N 3.32Å; E23-H26 PolarHBondContact O-N 3.24Å
24R40.4Very low41.5Very low194 Ų194139.4 Ų139.473%0.73270%0.704SS**Hα-helixtrans-65.8-29.9179.8-70.1-176179-151.60.5112.3E21E21-R24 PolarHBondContact O-N 3.46Å
25L47.1Very low41.5Very low107 Ų107144 Ų14456%0.5672%0.715SS**Hα-helixtrans-79.4-28.8177.5-64.7176.4000112.8E23 K27 K28E23-L25 VanDerWaalsContact C-N 3.25Å; E23-L25 PolarHBondContact O-N 3.32Å; L25-K27 VanDerWaalsContact C-N 3.32Å; L25-K27 PolarHBondContact O-N 2.88Å; L25-K28 PolarHBondContact O-N 3.11Å
26H51.5Low41.3Very low150 Ų150143 Ų14369%0.69472%0.715SS**Hα-helixtrans-63.7-38179.5-143.8155.5000111.7E23 K28E23-H26 PolarHBondContact O-N 3.24Å; H26-K28 PolarHBondContact O-N 3.49Å
27K45.1Very low40.9Very low149 Ų149141.5 Ų141.565%0.64872%0.722SS**Hα-helixtrans-74.7-21.7-179.1-63.1-177.1-177.2172.70114L25L25-K27 VanDerWaalsContact C-N 3.32Å; L25-K27 PolarHBondContact O-N 2.88Å
28K39.5Very low41.1Very low170 Ų170147.4 Ų147.474%0.73974%0.741SS**Hα-helixtrans-79.6-27-179.5-159.8171.7-175.5177.80112.8L25 H26L25-K28 PolarHBondContact O-N 3.11Å; H26-K28 PolarHBondContact O-N 3.49Å
29C44.3Very low40.8Very low106 Ų106148.6 Ų148.672%0.71674%0.737SS**Hα-helixtrans-69-38.2176.8-167.20000112.1R31C29-R31 PolarHBondContact O-N 3.43Å
30L44.7Very low40.4Very low142 Ų142147.6 Ų147.674%0.74374%0.741SS**Hα-helixtrans-74.7-26.4-175.1-152.668.6000113.5K32L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 2.98Å
31R42.5Very low40.6Very low230 Ų230150.3 Ų150.387%0.86875%0.754SS**THydrogen-bonded Turntrans-71.9-10.5-176.7-84.5-177.5150.4-179.7-5.9115.5C29 R33C29-R31 PolarHBondContact O-N 3.43Å; R31-R33 VanDerWaalsContact C-N 3.35Å
32K44.4Very low40.4Very low205 Ų205150.2 Ų150.289%0.89176%0.759SS**THydrogen-bonded Turntrans-93.39.8-179.2-123.6-178-176.8179.20114.3L30L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 2.98Å
33R44.2Very low40.5Very low234 Ų234153.6 Ų153.688%0.88377%0.773SS**  trans-120.782.3-177.7-149.7174.7-179.3-173-1.4109.7R31R31-R33 VanDerWaalsContact C-N 3.35Å
34G32.8Very low40.4Very low68 Ų68153.1 Ų153.170%0.70178%0.784SS**  trans-169.1125.5172.700000113
35Q38.6Very low40.7Very low194 Ų194148.8 Ų148.891%0.90779%0.789SS**  trans82.9126.7169.8-78.7-173.541.200117.3
36V33.5Very low40.4Very low136 Ų136149.2 Ų149.282%0.82480%0.799SS**  cis-158.1153.610.21450000108.3
37G31.5Very low40.1Very low77 Ų77147.5 Ų147.579%0.79480%0.804SS**  trans166.779.2160.500000115.5
38K38.9Very low40.1Very low194 Ų194146 Ų14684%0.84381%0.809SS**  trans-90.7127.5169179.1-174.4-179.3-175.10108.3
39L36Very low40.7Very low147 Ų147147.2 Ų147.277%0.7782%0.818SS**  trans159.6122141.4-88151.6000112.3
40T36.8Very low40.4Very low128 Ų128145.8 Ų145.879%0.78582%0.821SS**  trans49135.3142.454.70000122.3
41E43.1Very low40.2Very low186 Ų186148.9 Ų148.987%0.86983%0.828SS**  trans-52.8134.8168-62.6177.1113.700112.6
42D30.5Very low40.5Very low161 Ų161149.8 Ų149.886%0.86183%0.831SS**  -172.6149.2114.4-117-49.4000112
43C44.3Very low40.8Very low121 Ų121144.6 Ų144.682%0.81882%0.821SS**  trans-68.1125.8179.9-80.30000112.1
44S38.5Very low41.1Very low117 Ų117143.2 Ų143.282%0.81882%0.822SS**  trans-179.1128.3139.9-82.90000110.5
45A47.4Very low42.2Very low102 Ų102150.6 Ų150.684%0.84383%0.828SS**  trans-60.3145.3174.300000111.6
46P41Very low43.2Very low116 Ų116145.6 Ų145.675%0.75382%0.815SS**  -140.6144.9118.930.7-14.4000113.3
47S45.3Very low44.4Very low115 Ų115145.4 Ų145.480%0.80482%0.816SS**  trans-70.1142.7161.8-166.90000109.4
48P45.3Very low45.9Very low117 Ų117147.1 Ų147.176%0.7681%0.811SS**  -142.9150.7127.428.3-9.3000114.6G50P48-G50 PolarHBondContact O-N 2.91Å
49Q50.4Low46.9Very low196 Ų196143.5 Ų143.592%0.91681%0.807SS**  trans-51.7122.7178.3-65.4165.1-21.100113.3
50G38.7Very low48.2Very low76 Ų76142.1 Ų142.178%0.78480%0.797SS**  trans-116.298173.400000111.9P48P48-G50 PolarHBondContact O-N 2.91Å
51K41.3Very low49.9Very low206 Ų206138.9 Ų138.990%0.89678%0.779SS**  trans-2.7110.9166.6-60.9174.2-176.8176.50116.3S53K51-S53 PolarHBondContact O-N 3.48Å
52R48.7Very low51.4Low249 Ų249137.4 Ų137.494%0.9477%0.77SS**  trans-57.496.1161-78.2178.1155.5-179.3-6.6109.4K54R52-K54 VanDerWaalsContact C-N 3.32Å; R52-K54 PolarHBondContact O-N 3.41Å
53S50.9Low53.6Low96 Ų96135.4 Ų135.467%0.67176%0.756SS**  trans-64.896.7163.1-178.60000107.3K51 R55K51-S53 PolarHBondContact O-N 3.48Å; S53-R55 PolarHBondContact O-N 3.13Å
54K50.6Low55.6Low206 Ų206133.8 Ų133.890%0.89674%0.739SS**  trans-60.385.1164.3-75-175.3175.7179.50107.7R52 S56R52-K54 VanDerWaalsContact C-N 3.32Å; R52-K54 PolarHBondContact O-N 3.41Å; K54-S56 PolarHBondContact O-N 3.03Å
55R56Low58Low223 Ų223130.2 Ų130.284%0.84271%0.712SS**  trans-70.5109162.4-75.2-175.6-172-178.32.5105.6S53S53-R55 PolarHBondContact O-N 3.13Å
56S57.9Low60Low89 Ų89130.3 Ų130.362%0.62270%0.695SS**  trans-43.1141.2161.5410000109.9K54 V58K54-S56 PolarHBondContact O-N 3.03Å; S56-V58 PolarHBondContact O-N 3.36Å
57P58.5Low62.4Low132 Ų132127.7 Ų127.786%0.85768%0.677SS**  trans-65.499.4175.4-6.320.9000107.8
58V63.5Low64.7Low112 Ų112127.2 Ų127.268%0.67966%0.662SS**  trans-66.2129.5165.9179.70000105.5S56 Q60S56-V58 PolarHBondContact O-N 3.36Å; V58-Q60 PolarHBondContact O-N 3.38Å
59P61.3Low67.2Low118 Ų118129.2 Ų129.277%0.76665%0.654SS**  trans-56.1113.3174.222.1-30.3000107.2S61P59-S61 PolarHBondContact O-N 3.34Å
60Q62.6Low69.3Low119 Ų119122.5 Ų122.556%0.55663%0.626SS**  trans-58125.4-179.8-67.6-176.9-67.600107.3V58 F62 V65V58-Q60 PolarHBondContact O-N 3.38Å; Q60-F62 PolarHBondContact O-N 2.91Å; Q60-V65 HydrophobicContact CB-CG2 3.94Å
61S73.2Confident72Confident59 Ų59122.5 Ų122.541%0.41361%0.608SS.*  trans-56.2141.2173.1174.50000108.3P59 E63 D64 V65P59-S61 PolarHBondContact O-N 3.34Å; S61-E63 PolarHBondContact O-N 3.48Å; S61-E63 VanDerWaalsContact O-N 3.11Å; S61-E63 PolarHBondContact OG-N 2.93Å; S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 WeakPolarHBondContact O-CB 3.49Å; S61-D64 PolarHBondContact O-N 2.98Å; S61-V65 PolarHBondContact O-N 2.75Å
62F73.9Confident74.7Confident156 Ų156115.1 Ų115.168%0.68459%0.585SS**Hα-helixtrans-51.6-35.2175.6-178.8-99.2000111.5Q60 D64 V65 H66Q60-F62 PolarHBondContact O-N 2.91Å; F62-D64 PolarHBondContact O-N 3.49Å; F62-V65 PolarHBondContact O-N 3.5Å; F62-H66 PolarHBondContact O-N 2.98Å
63E76.8Confident77Confident119 Ų119108.7 Ų108.756%0.55657%0.57SS**Hα-helixtrans-62.6-37.8174.7-64.7-60.411100113.3S61 H66 T67S61-E63 PolarHBondContact O-N 3.48Å; S61-E63 VanDerWaalsContact O-N 3.11Å; S61-E63 PolarHBondContact OG-N 2.93Å; E63-H66 PolarHBondContact O-N 2.9Å; E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.47Å; E63-T67 PolarHBondContact O-OG1 3.46Å
64D85.1Confident79.2Confident87 Ų87108.5 Ų108.547%0.46556%0.564SS.*Hα-helixtrans-68.9-39.3177.8-68.8-41000110.9S61 F62 T67 Q68S61-D64 WeakPolarHBondContact CB-OD2 3.4Å; S61-D64 WeakPolarHBondContact O-CB 3.49Å; S61-D64 PolarHBondContact O-N 2.98Å; F62-D64 PolarHBondContact O-N 3.49Å; D64-T67 PolarHBondContact O-N 3.35Å; D64-Q68 WeakPolarHBondContact O-CB 3.43Å; D64-Q68 VanDerWaalsContact O-CG 3.23Å; D64-Q68 WeakPolarHBondContact O-CG 3.46Å; D64-Q68 PolarHBondContact O-N 3.44Å
65V89Confident81.5Confident42 Ų42107.3 Ų107.326%0.25555%0.554SS.*Hα-helixtrans-67.3-42.8177.11800000110.6Q60 S61 F62 Q68 R69Q60-V65 HydrophobicContact CB-CG2 3.94Å; S61-V65 PolarHBondContact O-N 2.75Å; F62-V65 PolarHBondContact O-N 3.5Å; V65-Q68 PolarHBondContact O-N 2.95Å; V65-R69 WeakPolarHBondContact O-CG 3.23Å; V65-R69 PolarHBondContact O-N 3.22Å
66H90.9Very high83.5Confident103 Ų103100.9 Ų100.948%0.47753%0.533SS..Hα-helixtrans-61.2-48.1175.2-172.879.3000111.2F62 E63 Q68 R69 V70F62-H66 PolarHBondContact O-N 2.98Å; E63-H66 PolarHBondContact O-N 2.9Å; H66-Q68 VanDerWaalsContact C-N 3.32Å; H66-Q68 PolarHBondContact O-N 3.37Å; H66-R69 WeakPolarHBondContact O-CB 3.38Å; H66-R69 PolarHBondContact O-N 2.73Å; H66-R69 VanDerWaalsContact O-N 3.13Å; H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 2.96Å
67T91.4Very high85.4Confident62 Ų62105.4 Ų105.438%0.3854%0.537SS..Hα-helixtrans-58.9-42.4177.2-57.30000111.8E63 D64 R69 V70 I71E63-T67 WeakPolarHBondContact O-CB 3.33Å; E63-T67 PolarHBondContact O-N 3.47Å; E63-T67 PolarHBondContact O-OG1 3.46Å; D64-T67 PolarHBondContact O-N 3.35Å; T67-R69 PolarHBondContact O-N 2.65Å; T67-V70 PolarHBondContact O-N 3.25Å; T67-I71 HydrophobicContact CG2-CD1 3.94Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.05Å
68Q93.7Very high87.3Confident104 Ų104105.3 Ų105.349%0.48653%0.525SS..Hα-helixtrans-62.1-41.6176-77.7176.9-1.800112.5D64 V65 H66 I71 A72D64-Q68 WeakPolarHBondContact O-CB 3.43Å; D64-Q68 VanDerWaalsContact O-CG 3.23Å; D64-Q68 WeakPolarHBondContact O-CG 3.46Å; D64-Q68 PolarHBondContact O-N 3.44Å; V65-Q68 PolarHBondContact O-N 2.95Å; H66-Q68 VanDerWaalsContact C-N 3.32Å; H66-Q68 PolarHBondContact O-N 3.37Å; Q68-I71 PolarHBondContact O-N 3.25Å; Q68-A72 WeakPolarHBondContact O-CB 3.3Å; Q68-A72 PolarHBondContact O-N 3.5Å
69R95.9Very high89Confident160 Ų160107.6 Ų107.660%0.60452%0.521SS*.Hα-helixtrans-62.8-44.3175.6-72.9176.9-178.2174.31.7111.7V65 H66 T67 I71 A72 N73V65-R69 WeakPolarHBondContact O-CG 3.23Å; V65-R69 PolarHBondContact O-N 3.22Å; H66-R69 WeakPolarHBondContact O-CB 3.38Å; H66-R69 PolarHBondContact O-N 2.73Å; H66-R69 VanDerWaalsContact O-N 3.13Å; T67-R69 PolarHBondContact O-N 2.65Å; R69-I71 PolarHBondContact O-N 3.48Å; R69-A72 PolarHBondContact O-N 3.33Å; R69-N73 VanDerWaalsContact O-CG 3.28Å; R69-N73 PolarHBondContact O-N 2.92Å; R69-N73 PolarHBondContact O-ND2 3.25Å
70V96.2Very high90.8Very high54 Ų54104.5 Ų104.533%0.32750%0.501SS..Hα-helixtrans-59.8-48.3176.6174.60000110.6H66 T67 A72 N73 V74H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 2.96Å; T67-V70 PolarHBondContact O-N 3.25Å; V70-A72 VanDerWaalsContact C-N 3.31Å; V70-A72 PolarHBondContact O-N 3.25Å; V70-N73 PolarHBondContact O-N 3.47Å; V70-V74 WeakPolarHBondContact O-CG2 3.4Å; V70-V74 PolarHBondContact O-N 3.2Å
71I95.4Very high92.5Very high77 Ų77102.4 Ų102.440%0.39549%0.491SS..Hα-helixtrans-60.4-41.4177.6-67.2166.8000111.2T67 Q68 R69 V74 R75T67-I71 HydrophobicContact CG2-CD1 3.94Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.35Å; T67-I71 PolarHBondContact O-N 3.05Å; Q68-I71 PolarHBondContact O-N 3.25Å; R69-I71 PolarHBondContact O-N 3.48Å; I71-V74 PolarHBondContact O-N 3.35Å; I71-R75 WeakPolarHBondContact O-CG 3.44Å; I71-R75 PolarHBondContact O-N 3.02Å
72A96.2Very high93.7Very high51 Ų51103.1 Ų103.142%0.42150%0.496SS..Hα-helixtrans-62.8-45.1176.900000111.8Q68 R69 V70 V74 R75 E76Q68-A72 WeakPolarHBondContact O-CB 3.3Å; Q68-A72 PolarHBondContact O-N 3.5Å; R69-A72 PolarHBondContact O-N 3.33Å; V70-A72 VanDerWaalsContact C-N 3.31Å; V70-A72 PolarHBondContact O-N 3.25Å; A72-V74 PolarHBondContact O-N 3.34Å; A72-R75 PolarHBondContact O-N 3.32Å; A72-E76 PolarHBondContact O-N 3.49Å
73N98.2Very high94.8Very high114 Ų11499.3 Ų99.361%0.6148%0.482SS*.Hα-helixtrans-62.3-41.4177.2-71.6-16.5000112.1R69 V70 E76 R77R69-N73 VanDerWaalsContact O-CG 3.28Å; R69-N73 PolarHBondContact O-N 2.92Å; R69-N73 PolarHBondContact O-ND2 3.25Å; V70-N73 PolarHBondContact O-N 3.47Å; N73-E76 PolarHBondContact O-N 3.25Å; N73-R77 WeakPolarHBondContact O-CB 3.36Å; N73-R77 PolarHBondContact O-N 3.44Å
74V97.8Very high95.8Very high92 Ų9296.2 Ų96.256%0.55847%0.469SS*.Hα-helixtrans-61.3-45.2175.6170.40000110.9V70 I71 A72 E76 R77 Q78V70-V74 WeakPolarHBondContact O-CG2 3.4Å; V70-V74 PolarHBondContact O-N 3.2Å; I71-V74 PolarHBondContact O-N 3.35Å; A72-V74 PolarHBondContact O-N 3.34Å; V74-E76 VanDerWaalsContact C-N 3.35Å; V74-E76 PolarHBondContact O-N 2.96Å; V74-R77 PolarHBondContact O-N 2.92Å; V74-Q78 PolarHBondContact O-N 3.34Å
75R98.1Very high96.4Very high181 Ų18195.8 Ų95.868%0.68347%0.467SS*.Hα-helixtrans-62-42.8177.4-73.6174.4179.2172.70.6112.2I71 A72 R77 Q78 R79I71-R75 WeakPolarHBondContact O-CG 3.44Å; I71-R75 PolarHBondContact O-N 3.02Å; A72-R75 PolarHBondContact O-N 3.32Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R75-Q78 PolarHBondContact O-N 3.47Å; R75-R79 PolarHBondContact O-N 3.4Å
76E98.3Very high96.8Very high87 Ų8796.2 Ų96.241%0.40748%0.475SS..Hα-helixtrans-67-38.1178.9179.554.7-162.100112.1A72 N73 V74 Q78 R79 T80A72-E76 PolarHBondContact O-N 3.49Å; N73-E76 PolarHBondContact O-N 3.25Å; V74-E76 VanDerWaalsContact C-N 3.35Å; V74-E76 PolarHBondContact O-N 2.96Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 3.03Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 IonicContact OE1-CZ 3.8Å; E76-R79 IonicContact OE1-NH1 2.65Å; E76-R79 PolarHBondContact OE1-NH1 3.46Å; E76-R79 IonicContact OE2-CZ 3.81Å; E76-R79 IonicContact OE2-NH1 2.73Å; E76-R79 PolarHBondContact OE2-NH1 2.97Å; E76-T80 WeakPolarHBondContact O-CB 3.39Å; E76-T80 PolarHBondContact O-N 2.99Å; E76-T80 PolarHBondContact O-OG1 3.25Å
77R98.4Very high97.1Very high185 Ų18593 Ų9370%0.69846%0.46SS*.Hα-helixtrans-59.9-45.3171.5-166.6-177.1-143.4-80.31.5111.1N73 V74 R75 T80 Q81N73-R77 WeakPolarHBondContact O-CB 3.36Å; N73-R77 PolarHBondContact O-N 3.44Å; V74-R77 PolarHBondContact O-N 2.92Å; R75-R77 VanDerWaalsContact C-N 3.35Å; R77-T80 PolarHBondContact O-N 3.05Å; R77-Q81 WeakPolarHBondContact O-CB 3.45Å; R77-Q81 PolarHBondContact O-N 3.49Å
78Q98.4Very high97.3Very high129 Ų12992.2 Ų92.260%0.60346%0.459SS*.Hα-helixtrans-63.2-43177.9-174.2613000112.1V74 R75 E76 T80 Q81 S82V74-Q78 PolarHBondContact O-N 3.34Å; R75-Q78 PolarHBondContact O-N 3.47Å; E76-Q78 VanDerWaalsContact C-N 3.34Å; E76-Q78 PolarHBondContact O-N 3.03Å; Q78-T80 VanDerWaalsContact C-N 3.34Å; Q78-T80 PolarHBondContact O-N 3.3Å; Q78-Q81 PolarHBondContact O-N 2.91Å; Q78-S82 PolarHBondContact O-N 2.82Å
79R98.3Very high97.4Very high160 Ų16093 Ų9360%0.60446%0.463SS*.Hα-helixtrans-59-47174.8177.3-178.2150.2-104.5-12.8111R75 E76 Q81 S82 L83R75-R79 PolarHBondContact O-N 3.4Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 IonicContact OE1-CZ 3.8Å; E76-R79 IonicContact OE1-NH1 2.65Å; E76-R79 PolarHBondContact OE1-NH1 3.46Å; E76-R79 IonicContact OE2-CZ 3.81Å; E76-R79 IonicContact OE2-NH1 2.73Å; E76-R79 PolarHBondContact OE2-NH1 2.97Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; R79-S82 PolarHBondContact O-N 3.13Å; R79-L83 PolarHBondContact O-N 3.44Å
80T98.4Very high97.4Very high54 Ų5487.6 Ų87.633%0.33145%0.446SS..Hα-helixtrans-66.3-37.4178.9-60.60000112E76 R77 Q78 L83 N84E76-T80 WeakPolarHBondContact O-CB 3.39Å; E76-T80 PolarHBondContact O-N 2.99Å; E76-T80 PolarHBondContact O-OG1 3.25Å; R77-T80 PolarHBondContact O-N 3.05Å; Q78-T80 VanDerWaalsContact C-N 3.34Å; Q78-T80 PolarHBondContact O-N 3.3Å; T80-L83 PolarHBondContact O-N 2.8Å; T80-N84 PolarHBondContact O-N 3.44Å; T80-N84 PolarHBondContact O-ND2 3.43Å
81Q98.3Very high97.4Very high74 Ų7488.7 Ų88.735%0.34644%0.444SS..Hα-helixtrans-60.8-49.9175.6-173.860.446.400111R77 Q78 R79 L83 N84 D85R77-Q81 WeakPolarHBondContact O-CB 3.45Å; R77-Q81 PolarHBondContact O-N 3.49Å; Q78-Q81 PolarHBondContact O-N 2.91Å; R79-Q81 VanDerWaalsContact C-N 3.35Å; Q81-L83 VanDerWaalsContact C-N 3.26Å; Q81-L83 PolarHBondContact O-N 3.36Å; Q81-N84 WeakPolarHBondContact O-CA 3.38Å; Q81-N84 WeakPolarHBondContact O-CB 3.49Å; Q81-N84 PolarHBondContact O-N 3.39Å; Q81-D85 PolarHBondContact NE2-OD1 3.13Å; Q81-D85 VanDerWaalsContact O-CG 3.22Å; Q81-D85 PolarHBondContact O-N 3.32Å
82S98.3Very high97.2Very high74 Ų7492.9 Ų92.952%0.51746%0.46SS..Hα-helixtrans-56.7-38.9176.9174.20000112.6Q78 R79 D85 A86Q78-S82 PolarHBondContact O-N 2.82Å; R79-S82 PolarHBondContact O-N 3.13Å; S82-D85 PolarHBondContact O-N 2.88Å; S82-A86 PolarHBondContact O-N 3.29Å; S82-A86 VanDerWaalsContact O-N 3.13Å
83L97.8Very high97Very high77 Ų7795.5 Ų95.540%0.40347%0.465SS..Hα-helixtrans-64.9-42.5173.8-179.6154000112.1R79 T80 Q81 D85 A86 F87R79-L83 PolarHBondContact O-N 3.44Å; T80-L83 PolarHBondContact O-N 2.8Å; Q81-L83 VanDerWaalsContact C-N 3.26Å; Q81-L83 PolarHBondContact O-N 3.36Å; L83-D85 VanDerWaalsContact C-N 3.31Å; L83-A86 PolarHBondContact O-N 3.35Å; L83-F87 HydrophobicContact CD2-CD2 3.63Å; L83-F87 HydrophobicContact CD2-CE2 3.87Å; L83-F87 HydrophobicContact CG-CD2 4.34Å; L83-F87 PolarHBondContact O-N 3.05Å
84N97.6Very high96.7Very high54 Ų5490.3 Ų90.329%0.28944%0.438SS..Hα-helixtrans-66.9-35178.9-69.4-31.6000111.7T80 Q81 F87 A88 K104T80-N84 PolarHBondContact O-N 3.44Å; T80-N84 PolarHBondContact O-ND2 3.43Å; Q81-N84 WeakPolarHBondContact O-CA 3.38Å; Q81-N84 WeakPolarHBondContact O-CB 3.49Å; Q81-N84 PolarHBondContact O-N 3.39Å; N84-F87 CarbonylContact O-C 3.6Å; N84-F87 WeakPolarHBondContact O-CB 3.49Å; N84-F87 PolarHBondContact O-N 3.33Å; N84-A88 PolarHBondContact O-N 3.44Å; N84-K104 WeakPolarHBondContact OD1-CE 3.44Å; N84-K104 PolarHBondContact OD1-NZ 3.15Å
85D97.8Very high96.4Very high77 Ų7786.3 Ų86.341%0.41241%0.414SS..Hα-helixtrans-63.5-46.8175.3-62.1-21.2000110.5Q81 S82 L83 F87 A88 E89Q81-D85 PolarHBondContact NE2-OD1 3.13Å; Q81-D85 VanDerWaalsContact O-CG 3.22Å; Q81-D85 PolarHBondContact O-N 3.32Å; S82-D85 PolarHBondContact O-N 2.88Å; L83-D85 VanDerWaalsContact C-N 3.31Å; D85-F87 VanDerWaalsContact C-N 3.28Å; D85-F87 PolarHBondContact O-N 3.09Å; D85-A88 WeakPolarHBondContact O-CA 3.42Å; D85-A88 WeakPolarHBondContact O-CB 3.39Å; D85-A88 PolarHBondContact O-N 2.78Å; D85-E89 PolarHBondContact O-N 3Å
86A97.6Very high95.8Very high52 Ų5280.4 Ų80.443%0.4340%0.398SS..Hα-helixtrans-59.5-38173.500000112.4S82 L83 A88 E89 L90S82-A86 PolarHBondContact O-N 3.29Å; S82-A86 VanDerWaalsContact O-N 3.13Å; L83-A86 PolarHBondContact O-N 3.35Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 2.92Å; A86-E89 PolarHBondContact O-N 2.97Å; A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 PolarHBondContact O-N 2.91Å
87F97.4Very high95.1Very high35 Ų3580.8 Ų80.815%0.15440%0.402CS..Hα-helixtrans-65.8-33172.8-104.2-80.5000112.8L83 N84 D85 R91 K104 T107 L108L83-F87 HydrophobicContact CD2-CD2 3.63Å; L83-F87 HydrophobicContact CD2-CE2 3.87Å; L83-F87 HydrophobicContact CG-CD2 4.34Å; L83-F87 PolarHBondContact O-N 3.05Å; N84-F87 CarbonylContact O-C 3.6Å; N84-F87 WeakPolarHBondContact O-CB 3.49Å; N84-F87 PolarHBondContact O-N 3.33Å; D85-F87 VanDerWaalsContact C-N 3.28Å; D85-F87 PolarHBondContact O-N 3.09Å; F87-R91 WeakPolarHBondContact O-CG 3.38Å; F87-R91 PolarHBondContact O-N 3.37Å; F87-R91 PolarHBondContact O-NH1 3.27Å; F87-K104 HydrophobicContact CD1-CB 4.47Å; F87-K104 HydrophobicContact CD1-CG 4.24Å; F87-K104 HydrophobicContact CE1-CB 3.82Å; F87-K104 HydrophobicContact CE1-CG 4.02Å; F87-K104 HydrophobicContact CE2-CD 4.41Å; F87-K104 HydrophobicContact CZ-CB 4.02Å; F87-K104 HydrophobicContact CZ-CD 4.39Å; F87-K104 HydrophobicContact CZ-CG 4.2Å; F87-T107 HydrophobicContact CD1-CG2 4.19Å; F87-T107 HydrophobicContact CE1-CG2 4.45Å; F87-L108 HydrophobicContact CE1-CD2 4.09Å; F87-L108 HydrophobicContact CE1-CG 4.05Å; F87-L108 HydrophobicContact CZ-CD1 4.19Å; F87-L108 HydrophobicContact CZ-CD2 4.05Å; F87-L108 HydrophobicContact CZ-CG 4.1Å
88A95.4Very high94Very high45 Ų4578.8 Ų78.837%0.37241%0.413SS..Hα-helixtrans-71.9-40.4175.200000110.9N84 D85 A86 R91 K92N84-A88 PolarHBondContact O-N 3.44Å; D85-A88 WeakPolarHBondContact O-CA 3.42Å; D85-A88 WeakPolarHBondContact O-CB 3.39Å; D85-A88 PolarHBondContact O-N 2.78Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 2.92Å; A88-R91 PolarHBondContact O-N 3.23Å; A88-K92 PolarHBondContact O-N 3Å
89E96.1Very high93Very high120 Ų12077.7 Ų77.756%0.56142%0.419SS*.Hα-helixtrans-60.8-45.6173.4-69.6-178.1149.600112D85 A86 R91 K92D85-E89 PolarHBondContact O-N 3Å; A86-E89 PolarHBondContact O-N 2.97Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 3.4Å; E89-K92 WeakPolarHBondContact O-CB 3.28Å; E89-K92 PolarHBondContact O-N 3.39Å
90L96.1Very high92.3Very high48 Ų4872.9 Ų72.925%0.25141%0.406SS..Hα-helixtrans-57.7-39.1174.6178.358.3000112A86 K92 I93 I94 T107 L108 A111A86-L90 WeakPolarHBondContact O-CB 3.48Å; A86-L90 PolarHBondContact O-N 2.91Å; L90-K92 VanDerWaalsContact C-N 3.27Å; L90-K92 PolarHBondContact O-N 3.48Å; L90-I93 HydrophobicContact CD1-CD1 4.01Å; L90-I93 HydrophobicContact CD1-CG1 4.19Å; L90-I93 WeakPolarHBondContact O-CG1 3.35Å; L90-I93 PolarHBondContact O-N 2.89Å; L90-I94 HydrophobicContact CD1-CD1 4.16Å; L90-I94 HydrophobicContact CD1-CG1 4.37Å; L90-I94 HydrophobicContact CG-CD1 3.95Å; L90-I94 WeakPolarHBondContact O-CG1 3.38Å; L90-I94 PolarHBondContact O-N 2.91Å; L90-T107 HydrophobicContact CD2-CG2 3.84Å; L90-T107 HydrophobicContact CG-CG2 3.97Å; L90-L108 HydrophobicContact CD2-CD2 4.37Å; L90-A111 HydrophobicContact CD1-CB 4.12Å; L90-A111 HydrophobicContact CD2-CB 4.36Å
91R95Very high91.7Very high77 Ų7779.9 Ų79.929%0.29143%0.432SS..Hα-helixtrans-64.8-28.9177.3-75.1-178.4-171.190.2-6.7113.5F87 A88 E89 I93 L102 T107F87-R91 WeakPolarHBondContact O-CG 3.38Å; F87-R91 PolarHBondContact O-N 3.37Å; F87-R91 PolarHBondContact O-NH1 3.27Å; A88-R91 PolarHBondContact O-N 3.23Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 3.4Å; R91-I93 VanDerWaalsContact C-N 3.28Å; R91-I93 PolarHBondContact O-N 2.97Å; R91-L102 PolarHBondContact NE-O 2.94Å; R91-L102 PolarHBondContact NH2-O 3.23Å; R91-T107 HydrophobicContact CG-CG2 3.75Å; R91-T107 PolarHBondContact NE-OG1 3.35Å; R91-T107 VanDerWaalsContact NE-OG1 3.17Å
92K92.1Very high91.3Very high165 Ų16577.8 Ų77.872%0.71742%0.423SS*.Hα-helixtrans-66.8-30.5-179.5-65.3172.7-173.5172.10112.6A88 E89 L90A88-K92 PolarHBondContact O-N 3Å; E89-K92 WeakPolarHBondContact O-CB 3.28Å; E89-K92 PolarHBondContact O-N 3.39Å; L90-K92 VanDerWaalsContact C-N 3.27Å; L90-K92 PolarHBondContact O-N 3.48Å
93I92.1Very high91.2Very high105 Ų10576.7 Ų76.754%0.53842%0.415SS..Hα-helixtrans-94.1-13.9-17663.8164.6000113.4L90 R91 Y114L90-I93 HydrophobicContact CD1-CD1 4.01Å; L90-I93 HydrophobicContact CD1-CG1 4.19Å; L90-I93 WeakPolarHBondContact O-CG1 3.35Å; L90-I93 PolarHBondContact O-N 2.89Å; R91-I93 VanDerWaalsContact C-N 3.28Å; R91-I93 PolarHBondContact O-N 2.97Å; I93-Y114 WeakPolarHBondContact O-CE1 3.49Å
94I92.3Very high91.1Very high6 Ų677.6 Ų77.63%0.03142%0.416CS..SBendtrans-82.6125.5177.3-63.6165.7000108.1L90 T96 T107 L110 A111L90-I94 HydrophobicContact CD1-CD1 4.16Å; L90-I94 HydrophobicContact CD1-CG1 4.37Å; L90-I94 HydrophobicContact CG-CD1 3.95Å; L90-I94 WeakPolarHBondContact O-CG1 3.38Å; L90-I94 PolarHBondContact O-N 2.91Å; I94-T96 HydrophobicContact CB-CG2 4.49Å; I94-T96 HydrophobicContact CG2-CG2 3.97Å; I94-T96 PolarHBondContact O-N 3.32Å; I94-T96 VanDerWaalsContact O-N 3.14Å; I94-T107 HydrophobicContact CD1-CG2 3.67Å; I94-T107 WeakPolarHBondContact CD1-O 3.37Å; I94-L110 HydrophobicContact CG2-CB 4.11Å; I94-L110 HydrophobicContact CG2-CD2 3.39Å; I94-L110 HydrophobicContact CG2-CG 3.48Å; I94-L110 VanDerWaalsContact CG2-CG 3.48Å; I94-A111 HydrophobicContact CD1-CB 3.84Å; I94-A111 HydrophobicContact CG1-CB 4.29Å
95P90.6Very high91Very high8 Ų879.9 Ų79.95%0.05243%0.427CS..  trans-67115.6176.6-1729.3000111Y114 F146P95-Y114 HydrophobicContact CG-CD1 4.43Å; P95-Y114 HydrophobicContact CG-CD2 3.88Å; P95-Y114 HydrophobicContact CG-CE1 4.01Å; P95-Y114 HydrophobicContact CG-CE2 3.42Å; P95-Y114 VanDerWaalsContact CG-CE2 3.42Å; P95-Y114 HydrophobicContact CG-CG 4.37Å; P95-Y114 VanDerWaalsContact CG-CZ 3.48Å; P95-F146 HydrophobicContact CB-CD1 3.91Å; P95-F146 HydrophobicContact CG-CD1 3.99Å
96T86.7Confident90.8Very high56 Ų5680.6 Ų80.634%0.34443%0.428SS..  trans-138161.6-178.860.30000111.2I94 L102 L110I94-T96 HydrophobicContact CB-CG2 4.49Å; I94-T96 HydrophobicContact CG2-CG2 3.97Å; I94-T96 PolarHBondContact O-N 3.32Å; I94-T96 VanDerWaalsContact O-N 3.14Å; T96-L102 HydrophobicContact CG2-CD1 3.57Å; T96-L102 HydrophobicContact CG2-CG 4.48Å; T96-L110 HydrophobicContact CG2-CD2 3.77Å
97L82.9Confident90.7Very high95 Ų9578.1 Ų78.150%0.49741%0.408SS..  trans-73.9150.7170.1-62.6174.1000110.1S99 D100L97-S99 PolarHBondContact O-N 3.25Å; L97-D100 PolarHBondContact N-OD2 3.06Å; L97-D100 WeakPolarHBondContact O-CB 3.49Å; L97-D100 PolarHBondContact O-N 2.82Å
98P74.8Confident90.7Very high144 Ų14480.7 Ų80.794%0.93542%0.422SS*.THydrogen-bonded Turntrans-60.7-18-177.920.9-32.3000114.5
99S78.5Confident90.6Very high105 Ų10584.6 Ų84.673%0.73443%0.431SS*.THydrogen-bonded Turntrans-94.2-6.6176.9-163.30000113.7L97 K101L97-S99 PolarHBondContact O-N 3.25Å; S99-K101 PolarHBondContact O-N 3.01Å
100D82.9Confident90.5Very high60 Ų6079.1 Ų79.132%0.32141%0.405SS..  trans-70.8105.8-170.9-75.2-14.4000111.7L97 L102L97-D100 PolarHBondContact N-OD2 3.06Å; L97-D100 WeakPolarHBondContact O-CB 3.49Å; L97-D100 PolarHBondContact O-N 2.82Å; D100-L102 HydrophobicContact CB-CD2 4.33Å; D100-L102 HydrophobicContact CB-CG 4.42Å; D100-L102 PolarHBondContact O-N 3.41Å
101K86.6Confident90.5Very high200 Ų20077.5 Ų77.587%0.8740%0.399SS*.  trans-87.197.4169.5-61.6-140.2-179.5-172.40110.3S99S99-K101 PolarHBondContact O-N 3.01Å
102L89.4Confident90.5Very high30 Ų3076.2 Ų76.216%0.15740%0.404CS..  trans-91.1120.9-178.9-58.4-177.2000113.2R91 T96 D100 Q106 L110R91-L102 PolarHBondContact NE-O 2.94Å; R91-L102 PolarHBondContact NH2-O 3.23Å; T96-L102 HydrophobicContact CG2-CD1 3.57Å; T96-L102 HydrophobicContact CG2-CG 4.48Å; D100-L102 HydrophobicContact CB-CD2 4.33Å; D100-L102 HydrophobicContact CB-CG 4.42Å; D100-L102 PolarHBondContact O-N 3.41Å; L102-Q106 HydrophobicContact CB-CB 4.34Å; L102-Q106 HydrophobicContact CD2-CB 4.22Å; L102-L110 HydrophobicContact CD1-CD2 3.86Å
103S95.5Very high90.4Very high52 Ų5272.1 Ų72.136%0.36439%0.385SS..  trans-63.5162.616667.10000111.8I105 Q106 T107S103-I105 VanDerWaalsContact C-N 3.29Å; S103-I105 PolarHBondContact O-N 3Å; S103-I105 WeakPolarHBondContact OG-CG2 3.46Å; S103-Q106 PolarHBondContact O-N 3.34Å; S103-Q106 VanDerWaalsContact O-N 3.09Å; S103-Q106 WeakPolarHBondContact OG-CB 3.39Å; S103-Q106 VanDerWaalsContact OG-CD 3.3Å; S103-Q106 VanDerWaalsContact OG-CG 3.28Å; S103-Q106 WeakPolarHBondContact OG-CG 3.42Å; S103-Q106 PolarHBondContact OG-N 3.13Å; S103-Q106 PolarHBondContact OG-OE1 3.02Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-T107 PolarHBondContact O-OG1 3.4Å
104K95.4Very high90.5Very high96 Ų9668.4 Ų68.442%0.41736%0.364SS..Hα-helixtrans-54.1-44.7179.9-69.4-174.6176.8-174.30112.1N84 F87 T107 L108N84-K104 WeakPolarHBondContact OD1-CE 3.44Å; N84-K104 PolarHBondContact OD1-NZ 3.15Å; F87-K104 HydrophobicContact CD1-CB 4.47Å; F87-K104 HydrophobicContact CD1-CG 4.24Å; F87-K104 HydrophobicContact CE1-CB 3.82Å; F87-K104 HydrophobicContact CE1-CG 4.02Å; F87-K104 HydrophobicContact CE2-CD 4.41Å; F87-K104 HydrophobicContact CZ-CB 4.02Å; F87-K104 HydrophobicContact CZ-CD 4.39Å; F87-K104 HydrophobicContact CZ-CG 4.2Å; K104-T107 PolarHBondContact O-N 2.97Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 2.87Å; K104-L108 VanDerWaalsContact O-N 3.13Å
105I96.1Very high90.5Very high101 Ų10173.6 Ų73.652%0.51839%0.39SS..Hα-helixtrans-66.7-39.5178.6-174.459.7000112.2S103 L108 K109S103-I105 VanDerWaalsContact C-N 3.29Å; S103-I105 PolarHBondContact O-N 3Å; S103-I105 WeakPolarHBondContact OG-CG2 3.46Å; I105-L108 PolarHBondContact O-N 3.35Å; I105-K109 HydrophobicContact CD1-CG 4.39Å; I105-K109 HydrophobicContact CG1-CD 4.32Å; I105-K109 WeakPolarHBondContact O-CB 3.48Å; I105-K109 WeakPolarHBondContact O-CG 3.43Å; I105-K109 PolarHBondContact O-N 2.98Å
106Q93.6Very high90.6Very high93 Ų9377.2 Ų77.244%0.43541%0.409SS..Hα-helixtrans-65.7-42.6177.1-74.5167-46.100111.4L102 S103 L108 K109 L110L102-Q106 HydrophobicContact CB-CB 4.34Å; L102-Q106 HydrophobicContact CD2-CB 4.22Å; S103-Q106 PolarHBondContact O-N 3.34Å; S103-Q106 VanDerWaalsContact O-N 3.09Å; S103-Q106 WeakPolarHBondContact OG-CB 3.39Å; S103-Q106 VanDerWaalsContact OG-CD 3.3Å; S103-Q106 VanDerWaalsContact OG-CG 3.28Å; S103-Q106 WeakPolarHBondContact OG-CG 3.42Å; S103-Q106 PolarHBondContact OG-N 3.13Å; S103-Q106 PolarHBondContact OG-OE1 3.02Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.15Å; Q106-K109 PolarHBondContact O-N 3.15Å; Q106-L110 VanDerWaalsContact O-CB 3.27Å; Q106-L110 WeakPolarHBondContact O-CB 3.47Å; Q106-L110 PolarHBondContact O-N 3.2Å
107T95.1Very high90.7Very high0 Ų075.1 Ų75.10%040%0.396CS..Hα-helixtrans-56.4-47.7174.7-59.70000111F87 L90 R91 I94 S103 K104 L110 A111F87-T107 HydrophobicContact CD1-CG2 4.19Å; F87-T107 HydrophobicContact CE1-CG2 4.45Å; L90-T107 HydrophobicContact CD2-CG2 3.84Å; L90-T107 HydrophobicContact CG-CG2 3.97Å; R91-T107 HydrophobicContact CG-CG2 3.75Å; R91-T107 PolarHBondContact NE-OG1 3.35Å; R91-T107 VanDerWaalsContact NE-OG1 3.17Å; I94-T107 HydrophobicContact CD1-CG2 3.67Å; I94-T107 WeakPolarHBondContact CD1-O 3.37Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-T107 PolarHBondContact O-OG1 3.4Å; K104-T107 PolarHBondContact O-N 2.97Å; T107-L110 PolarHBondContact O-N 3.41Å; T107-A111 VanDerWaalsContact O-CB 3.31Å; T107-A111 WeakPolarHBondContact O-CB 3.5Å; T107-A111 PolarHBondContact O-N 3.11Å
108L97Very high91Very high88 Ų8873.1 Ų73.146%0.46139%0.385SS..Hα-helixtrans-63.9-46.5178.5-65.7176.8000112.2F87 L90 K104 I105 Q106 L110 A111 A112F87-L108 HydrophobicContact CE1-CD2 4.09Å; F87-L108 HydrophobicContact CE1-CG 4.05Å; F87-L108 HydrophobicContact CZ-CD1 4.19Å; F87-L108 HydrophobicContact CZ-CD2 4.05Å; F87-L108 HydrophobicContact CZ-CG 4.1Å; L90-L108 HydrophobicContact CD2-CD2 4.37Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 2.87Å; K104-L108 VanDerWaalsContact O-N 3.13Å; I105-L108 PolarHBondContact O-N 3.35Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.15Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 3.17Å; L108-A111 PolarHBondContact O-N 3.04Å; L108-A112 PolarHBondContact O-N 3.22Å
109K93.8Very high91.7Very high128 Ų12873.4 Ų73.456%0.55737%0.369SS*.Hα-helixtrans-62.3-34.3177.7-75.1-176.2174.2-172.40112.7I105 Q106 R113I105-K109 HydrophobicContact CD1-CG 4.39Å; I105-K109 HydrophobicContact CG1-CD 4.32Å; I105-K109 WeakPolarHBondContact O-CB 3.48Å; I105-K109 WeakPolarHBondContact O-CG 3.43Å; I105-K109 PolarHBondContact O-N 2.98Å; Q106-K109 PolarHBondContact O-N 3.15Å; K109-R113 WeakPolarHBondContact O-CG 3.27Å; K109-R113 PolarHBondContact O-N 2.86Å; K109-R113 PolarHBondContact O-NE 3.34Å; K109-R113 VanDerWaalsContact O-NE 3.11Å
110L93.5Very high92Very high5 Ų572.7 Ų72.73%0.02635%0.354CS..Hα-helixtrans-79.7-36.9180-166.162000111.3I94 T96 L102 Q106 T107 L108 R113 Y114 F146I94-L110 HydrophobicContact CG2-CB 4.11Å; I94-L110 HydrophobicContact CG2-CD2 3.39Å; I94-L110 HydrophobicContact CG2-CG 3.48Å; I94-L110 VanDerWaalsContact CG2-CG 3.48Å; T96-L110 HydrophobicContact CG2-CD2 3.77Å; L102-L110 HydrophobicContact CD1-CD2 3.86Å; Q106-L110 VanDerWaalsContact O-CB 3.27Å; Q106-L110 WeakPolarHBondContact O-CB 3.47Å; Q106-L110 PolarHBondContact O-N 3.2Å; T107-L110 PolarHBondContact O-N 3.41Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 2.91Å; L110-Y114 WeakPolarHBondContact O-CB 3.31Å; L110-Y114 PolarHBondContact O-N 3.37Å; L110-F146 HydrophobicContact CD1-CE1 3.86Å; L110-F146 HydrophobicContact CD1-CZ 3.77Å; L110-F146 HydrophobicContact CG-CE1 4.33Å; L110-F146 HydrophobicContact CG-CZ 4.38Å
111A95.8Very high92.1Very high14 Ų1472.2 Ų72.212%0.11635%0.353CS..Hα-helixtrans-58.7-49.5172.900000111.8L90 I94 T107 L108 R113 Y114 I115L90-A111 HydrophobicContact CD1-CB 4.12Å; L90-A111 HydrophobicContact CD2-CB 4.36Å; I94-A111 HydrophobicContact CD1-CB 3.84Å; I94-A111 HydrophobicContact CG1-CB 4.29Å; T107-A111 VanDerWaalsContact O-CB 3.31Å; T107-A111 WeakPolarHBondContact O-CB 3.5Å; T107-A111 PolarHBondContact O-N 3.11Å; L108-A111 PolarHBondContact O-N 3.04Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.23Å; A111-Y114 PolarHBondContact O-N 2.96Å; A111-Y114 VanDerWaalsContact O-N 3.13Å; A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.21Å
112A94.9Very high91.9Very high49 Ų4968.5 Ų68.541%0.40534%0.342SS..Hα-helixtrans-56.7-47.9177.200000111.4L108 Y114 I115 D116L108-A112 PolarHBondContact O-N 3.22Å; A112-Y114 VanDerWaalsContact C-N 3.3Å; A112-Y114 PolarHBondContact O-N 3.46Å; A112-I115 WeakPolarHBondContact O-CB 3.26Å; A112-I115 PolarHBondContact O-N 3.14Å; A112-I115 VanDerWaalsContact O-N 3.15Å; A112-D116 PolarHBondContact O-N 3.36Å
113R91.6Very high91.4Very high80 Ų8071.8 Ų71.830%0.30236%0.357SS..Hα-helixtrans-60.7-37.5176.5-78.9-174.4-83.6170.7-10.1113.3K109 L110 A111 D116 F117 F146 W149 W155K109-R113 WeakPolarHBondContact O-CG 3.27Å; K109-R113 PolarHBondContact O-N 2.86Å; K109-R113 PolarHBondContact O-NE 3.34Å; K109-R113 VanDerWaalsContact O-NE 3.11Å; L110-R113 PolarHBondContact O-N 2.91Å; A111-R113 VanDerWaalsContact C-N 3.33Å; A111-R113 PolarHBondContact O-N 3.23Å; R113-D116 PolarHBondContact O-N 3.34Å; R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.33Å; R113-F146 HydrophobicContact CB-CE2 4.44Å; R113-F146 HydrophobicContact CB-CZ 4.39Å; R113-W149 HydrophobicContact CB-CZ3 4.29Å; R113-W155 HydrophobicContact CG-CZ3 4.22Å
114Y93.6Very high90.1Very high27 Ų2772.8 Ų72.811%0.10636%0.363CS..Hα-helixtrans-68.1-38.1177.7-172.2-132.4000111.5I93 P95 L110 A111 A112 F117 L118 F146I93-Y114 WeakPolarHBondContact O-CE1 3.49Å; P95-Y114 HydrophobicContact CG-CD1 4.43Å; P95-Y114 HydrophobicContact CG-CD2 3.88Å; P95-Y114 HydrophobicContact CG-CE1 4.01Å; P95-Y114 HydrophobicContact CG-CE2 3.42Å; P95-Y114 VanDerWaalsContact CG-CE2 3.42Å; P95-Y114 HydrophobicContact CG-CG 4.37Å; P95-Y114 VanDerWaalsContact CG-CZ 3.48Å; L110-Y114 WeakPolarHBondContact O-CB 3.31Å; L110-Y114 PolarHBondContact O-N 3.37Å; A111-Y114 PolarHBondContact O-N 2.96Å; A111-Y114 VanDerWaalsContact O-N 3.13Å; A112-Y114 VanDerWaalsContact C-N 3.3Å; A112-Y114 PolarHBondContact O-N 3.46Å; Y114-F117 HydrophobicContact CD2-CD1 4.05Å; Y114-F117 HydrophobicContact CE2-CD1 4.02Å; Y114-F117 HydrophobicContact CE2-CE1 4.41Å; Y114-F117 PolarHBondContact O-N 3.46Å; Y114-L118 HydrophobicContact CD1-CD1 4.14Å; Y114-L118 HydrophobicContact CD2-CG 4.31Å; Y114-L118 HydrophobicContact CE1-CD1 3.84Å; Y114-L118 HydrophobicContact CE2-CD1 4.24Å; Y114-L118 HydrophobicContact CE2-CD2 4.01Å; Y114-L118 HydrophobicContact CE2-CG 4.03Å; Y114-L118 HydrophobicContact CG-CD1 4.48Å; Y114-L118 VanDerWaalsContact O-CG 3.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.15Å; Y114-L118 PolarHBondContact O-N 3.37Å; Y114-F146 HydrophobicContact CD2-CB 4.43Å; Y114-F146 HydrophobicContact CD2-CD1 4.13Å; Y114-F146 AromaticContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CE1 4.25Å; Y114-F146 AromaticContact CD2-CE2 3.87Å; Y114-F146 HydrophobicContact CD2-CE2 3.87Å; Y114-F146 AromaticContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CZ 4.12Å; Y114-F146 HydrophobicContact CE2-CB 4.4Å; Y114-F146 HydrophobicContact CE2-CD2 4.46Å; Y114-F146 HydrophobicContact CE2-CG 4.27Å; Y114-F146 HydrophobicContact CG-CE2 4.42Å; Y114-F146 HydrophobicContact CG-CZ 4.39Å
115I93.1Very high88.4Confident114 Ų11470 Ų7059%0.58535%0.353SS*.Hα-helixtrans-60.6-48172.1-64.7165.6000110.6A111 A112 F117 L118 Y119A111-I115 WeakPolarHBondContact O-CG1 3.47Å; A111-I115 PolarHBondContact O-N 3.21Å; A112-I115 WeakPolarHBondContact O-CB 3.26Å; A112-I115 PolarHBondContact O-N 3.14Å; A112-I115 VanDerWaalsContact O-N 3.15Å; I115-F117 VanDerWaalsContact C-N 3.32Å; I115-F117 PolarHBondContact O-N 3.47Å; I115-L118 PolarHBondContact O-N 2.97Å; I115-Y119 WeakPolarHBondContact O-CB 3.39Å; I115-Y119 PolarHBondContact O-N 3.39Å
116D91.2Very high86.5Confident84 Ų8472.2 Ų72.245%0.44936%0.361SS..Hα-helixtrans-60.7-41.8179.4-63.9-30.6000112.1A112 R113 Y119 Q120A112-D116 PolarHBondContact O-N 3.36Å; R113-D116 PolarHBondContact O-N 3.34Å; D116-Y119 PolarHBondContact O-N 3.34Å; D116-Q120 WeakPolarHBondContact O-CG 3.25Å; D116-Q120 PolarHBondContact O-N 3.33Å
117F88.9Confident84.5Confident12 Ų1274.7 Ų74.75%0.05338%0.377CS..Hα-helixtrans-59.9-50.2174.8167.9-103.7000111.4R113 Y114 I115 Y119 Q120 V121 L142 A145 F146 W149R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.33Å; Y114-F117 HydrophobicContact CD2-CD1 4.05Å; Y114-F117 HydrophobicContact CE2-CD1 4.02Å; Y114-F117 HydrophobicContact CE2-CE1 4.41Å; Y114-F117 PolarHBondContact O-N 3.46Å; I115-F117 VanDerWaalsContact C-N 3.32Å; I115-F117 PolarHBondContact O-N 3.47Å; F117-Y119 VanDerWaalsContact C-N 3.25Å; F117-Y119 PolarHBondContact O-N 3.06Å; F117-Q120 PolarHBondContact O-N 3.31Å; F117-Q120 VanDerWaalsContact O-N 3.13Å; F117-V121 HydrophobicContact CD1-CG2 4.38Å; F117-V121 HydrophobicContact CD2-CG2 4.24Å; F117-V121 HydrophobicContact CE1-CG2 3.94Å; F117-V121 HydrophobicContact CE2-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.48Å; F117-V121 PolarHBondContact O-N 3.21Å; F117-L142 HydrophobicContact CE1-CD2 4.06Å; F117-L142 HydrophobicContact CZ-CD2 4.35Å; F117-A145 HydrophobicContact CE2-CB 4.45Å; F117-A145 HydrophobicContact CZ-CB 3.87Å; F117-F146 HydrophobicContact CB-CD2 3.71Å; F117-F146 HydrophobicContact CB-CE2 3.99Å; F117-F146 HydrophobicContact CD1-CB 4.04Å; F117-F146 AromaticContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CG 4.31Å; F117-F146 HydrophobicContact CD2-CD2 4.24Å; F117-F146 HydrophobicContact CE1-CB 3.9Å; F117-F146 HydrophobicContact CE1-CD2 4.45Å; F117-F146 HydrophobicContact CG-CB 4.48Å; F117-F146 AromaticContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CE2 4.4Å; F117-F146 HydrophobicContact CZ-CB 4.21Å; F117-W149 HydrophobicContact CB-CD2 4.31Å; F117-W149 HydrophobicContact CB-CE3 4.08Å; F117-W149 HydrophobicContact CB-CH2 3.91Å; F117-W149 HydrophobicContact CB-CZ2 4.19Å; F117-W149 HydrophobicContact CB-CZ3 3.89Å; F117-W149 HydrophobicContact CD2-CB 4.1Å; F117-W149 AromaticContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CE3 4.16Å; F117-W149 AromaticContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CE2-CB 4.12Å; F117-W149 HydrophobicContact CE2-CG 4.17Å; F117-W149 HydrophobicContact CG-CD2 4.44Å; F117-W149 HydrophobicContact CG-CE3 4.43Å
118L89.3Confident82.4Confident54 Ų5479.6 Ų79.628%0.28340%0.403SS..Hα-helixtrans-61.2-37.4178.5-67.5175.2000111.4Y114 I115 V121 L122 L142Y114-L118 HydrophobicContact CD1-CD1 4.14Å; Y114-L118 HydrophobicContact CD2-CG 4.31Å; Y114-L118 HydrophobicContact CE1-CD1 3.84Å; Y114-L118 HydrophobicContact CE2-CD1 4.24Å; Y114-L118 HydrophobicContact CE2-CD2 4.01Å; Y114-L118 HydrophobicContact CE2-CG 4.03Å; Y114-L118 HydrophobicContact CG-CD1 4.48Å; Y114-L118 VanDerWaalsContact O-CG 3.25Å; Y114-L118 WeakPolarHBondContact O-CG 3.15Å; Y114-L118 PolarHBondContact O-N 3.37Å; I115-L118 PolarHBondContact O-N 2.97Å; L118-V121 PolarHBondContact O-N 3.42Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.1Å; L118-L142 HydrophobicContact CD2-CD1 4.41Å
119Y89.3Confident80.4Confident149 Ų14981.7 Ų81.758%0.58441%0.41SS*.Hα-helixtrans-64-38.8175.4-169.4-103.5000112.5I115 D116 F117 Q123I115-Y119 WeakPolarHBondContact O-CB 3.39Å; I115-Y119 PolarHBondContact O-N 3.39Å; D116-Y119 PolarHBondContact O-N 3.34Å; F117-Y119 VanDerWaalsContact C-N 3.25Å; F117-Y119 PolarHBondContact O-N 3.06Å; Y119-Q123 HydrophobicContact CE1-CG 4.22Å; Y119-Q123 WeakPolarHBondContact O-CG 3.43Å; Y119-Q123 PolarHBondContact O-N 3.42Å; Y119-Q123 VanDerWaalsContact O-N 3.14Å; Y119-Q123 PolarHBondContact O-NE2 2.7Å
120Q84.9Confident78.4Confident91 Ų9185.2 Ų85.243%0.42543%0.426SS..Hα-helixtrans-65.9-45.6173.5-71.8176.435.300111.8D116 F117 L122 Q123 S124D116-Q120 WeakPolarHBondContact O-CG 3.25Å; D116-Q120 PolarHBondContact O-N 3.33Å; F117-Q120 PolarHBondContact O-N 3.31Å; F117-Q120 VanDerWaalsContact O-N 3.13Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.13Å; Q120-Q123 PolarHBondContact O-N 3.14Å; Q120-S124 PolarHBondContact O-N 3.2Å; Q120-S124 PolarHBondContact O-OG 3.3Å; Q120-S124 VanDerWaalsContact O-OG 3.1Å
121V84.8Confident76.4Confident50 Ų5091.5 Ų91.530%0.30346%0.457SS..Hα-helixtrans-57.7-45.2178172.10000110.8F117 L118 S124 D125 L142F117-V121 HydrophobicContact CD1-CG2 4.38Å; F117-V121 HydrophobicContact CD2-CG2 4.24Å; F117-V121 HydrophobicContact CE1-CG2 3.94Å; F117-V121 HydrophobicContact CE2-CG2 3.77Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.48Å; F117-V121 PolarHBondContact O-N 3.21Å; L118-V121 PolarHBondContact O-N 3.42Å; V121-S124 WeakPolarHBondContact CA-OG 3.33Å; V121-S124 PolarHBondContact O-N 3.03Å; V121-S124 PolarHBondContact O-OG 2.96Å; V121-D125 PolarHBondContact O-N 2.78Å; V121-L142 HydrophobicContact CG1-CD2 4.28Å
122L83.3Confident74.3Confident122 Ų12293.3 Ų93.364%0.63947%0.467SS*.Hα-helixtrans-66.1-36.5178.9-70.6171.1000113.1L118 Q120 D125L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.35Å; L118-L122 PolarHBondContact O-N 3.1Å; Q120-L122 VanDerWaalsContact C-N 3.3Å; Q120-L122 PolarHBondContact O-N 3.13Å; L122-D125 PolarHBondContact O-N 2.98Å
123Q78.8Confident72.1Confident99 Ų9996.5 Ų96.546%0.46349%0.487SS..Hα-helixtrans-71.6-34.8175.9-73.5170.310900112.5Y119 Q120 D125Y119-Q123 HydrophobicContact CE1-CG 4.22Å; Y119-Q123 WeakPolarHBondContact O-CG 3.43Å; Y119-Q123 PolarHBondContact O-N 3.42Å; Y119-Q123 VanDerWaalsContact O-N 3.14Å; Y119-Q123 PolarHBondContact O-NE2 2.7Å; Q120-Q123 PolarHBondContact O-N 3.14Å; Q123-D125 VanDerWaalsContact C-N 3.27Å; Q123-D125 PolarHBondContact O-N 3.35Å
124S68.2Low69.9Low72 Ų7297.2 Ų97.250%0.50350%0.503SS..Hα-helixtrans-70.3-23.1175.450.90000113.5Q120 V121 E126 L127Q120-S124 PolarHBondContact O-N 3.2Å; Q120-S124 PolarHBondContact O-OG 3.3Å; Q120-S124 VanDerWaalsContact O-OG 3.1Å; V121-S124 WeakPolarHBondContact CA-OG 3.33Å; V121-S124 PolarHBondContact O-N 3.03Å; V121-S124 PolarHBondContact O-OG 2.96Å; S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 PolarHBondContact O-N 3.4Å; S124-L127 PolarHBondContact O-N 3.17Å
125D60.3Low68.2Low39 Ų39102 Ų10221%0.20953%0.53CS..THydrogen-bonded Turntrans-73.7-12.8-179-161.633.7000113.4V121 L122 Q123 L127 D128 H129 T132V121-D125 PolarHBondContact O-N 2.78Å; L122-D125 PolarHBondContact O-N 2.98Å; Q123-D125 VanDerWaalsContact C-N 3.27Å; Q123-D125 PolarHBondContact O-N 3.35Å; D125-L127 PolarHBondContact O-N 3.47Å; D125-D128 PolarHBondContact O-N 3.45Å; D125-H129 PolarHBondContact O-CE1 3.18Å; D125-H129 PolarHBondContact O-ND1 3.37Å; D125-T132 PolarHBondContact OD1-OG1 2.6Å; D125-T132 WeakPolarHBondContact OD2-CG2 3.4Å
126E55.8Low66.2Low146 Ų146107.6 Ų107.668%0.68255%0.546SS*.THydrogen-bonded Turntrans-65.6-14.7174.4-132.2174.4-165.200112.6S124S124-E126 VanDerWaalsContact C-N 3.25Å; S124-E126 PolarHBondContact O-N 3.4Å
127L51Low64.3Low145 Ų145109.8 Ų109.876%0.75956%0.556SS**SBendtrans-102-20-178.3-77.9-93.5000113.4S124 D125S124-L127 PolarHBondContact O-N 3.17Å; D125-L127 PolarHBondContact O-N 3.47Å
128D51.3Low63Low103 Ų103110.5 Ų110.555%0.55157%0.565SS**  trans-130.433.6-168-79.5-46.5000114.3D125 K130 I131D125-D128 PolarHBondContact O-N 3.45Å; D128-K130 PolarHBondContact O-N 2.78Å; D128-I131 PolarHBondContact O-N 3.45Å; D128-I131 VanDerWaalsContact O-N 3.14Å
129H55.3Low61.9Low133 Ų133113.5 Ų113.562%0.61658%0.577SS**THydrogen-bonded Turntrans-50.31.1-177.6-78.6-57.4000118.7D125D125-H129 PolarHBondContact O-CE1 3.18Å; D125-H129 PolarHBondContact O-ND1 3.37Å
130K50.9Low61Low202 Ų202114.3 Ų114.388%0.87859%0.586SS**THydrogen-bonded Turntrans-99.1-17.5176.6-66.2179-168.1-780114.1D128D128-K130 PolarHBondContact O-N 2.78Å
131I52.2Low60.7Low136 Ų136118 Ų11870%0.69760%0.596SS**THydrogen-bonded Turntrans-91.3-21.4-176.2-71.2168.6000112.3D128 S133D128-I131 PolarHBondContact O-N 3.45Å; D128-I131 VanDerWaalsContact O-N 3.14Å; I131-S133 PolarHBondContact O-N 2.78Å
132T51.1Low60.7Low52 Ų52117.8 Ų117.832%0.31959%0.593SS.*  trans-86.9-4.1-165.9-46.20000114.7D125 C134D125-T132 PolarHBondContact OD1-OG1 2.6Å; D125-T132 WeakPolarHBondContact OD2-CG2 3.4Å; T132-C134 PolarHBondContact O-N 3.44Å
133S49.2Very low60.8Low117 Ų117113.1 Ų113.182%0.81857%0.571SS**  trans-67.92.2-173.8-166.60000116.1I131I131-S133 PolarHBondContact O-N 2.78Å
134C45.6Very low61.2Low94 Ų94116.4 Ų116.464%0.63558%0.58SS**  trans-113.675.7172.2-168.20000110.9T132 Y136T132-C134 PolarHBondContact O-N 3.44Å; C134-Y136 PolarHBondContact O-N 2.82Å
135N57.6Low62.1Low127 Ų127114.8 Ų114.868%0.67957%0.571SS**THydrogen-bonded Turntrans-66.90.8-172.1-104.3-34.8000116.4
136Y50.7Low63.4Low233 Ų233113 Ų11391%0.91456%0.561SS**THydrogen-bonded Turntrans-113.4-10.1-176-97.2-95.1000115.5C134 A138C134-Y136 PolarHBondContact O-N 2.82Å; Y136-A138 PolarHBondContact O-N 3.32Å
137L52.3Low64.9Low129 Ų129107.6 Ų107.668%0.67554%0.54SS*.SBendtrans-85.25.7170.2-144.476.5000112.4R141L137-R141 WeakPolarHBondContact O-CG 3.2Å
138A60.2Low66.6Low28 Ų28103.2 Ų103.223%0.23152%0.519CS..Hα-helixtrans-84-31.2-16600000114Y136 E140 R141 L142Y136-A138 PolarHBondContact O-N 3.32Å; A138-E140 PolarHBondContact O-N 3.02Å; A138-R141 PolarHBondContact O-N 2.94Å; A138-L142 HydrophobicContact CB-CD1 4.06Å; A138-L142 HydrophobicContact CB-CG 4.41Å; A138-L142 WeakPolarHBondContact O-CB 3.2Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.37Å
139H66.3Low68.2Low117 Ų117101 Ų10154%0.54250%0.503SS..Hα-helixtrans-64.3-45.1-170.4-171.2-88000113S143H139-S143 VanDerWaalsContact O-CB 3.24Å; H139-S143 WeakPolarHBondContact O-CB 3.21Å; H139-S143 PolarHBondContact O-N 3.46Å; H139-S143 PolarHBondContact O-OG 2.8Å
140E71.1Confident69.6Low165 Ų16597.1 Ų97.177%0.77148%0.483SS*.Hα-helixtrans-67.7-40176.2-63.5-164.1137.600111.6A138 S143 Y144A138-E140 PolarHBondContact O-N 3.02Å; E140-S143 PolarHBondContact O-N 2.95Å; E140-Y144 WeakPolarHBondContact O-CB 3.13Å; E140-Y144 PolarHBondContact O-N 3.02Å
141R79.3Confident70.8Confident170 Ų17094.1 Ų94.164%0.64247%0.474SS*.Hα-helixtrans-66.7-40.8177.9-66.1-174.668.6-131.1-2.2112.5L137 A138 A145L137-R141 WeakPolarHBondContact O-CG 3.2Å; A138-R141 PolarHBondContact O-N 2.94Å; R141-A145 WeakPolarHBondContact O-CB 3.45Å; R141-A145 PolarHBondContact O-N 3.01Å
142L84.3Confident71.6Confident44 Ų4494.5 Ų94.523%0.2347%0.473CS..Hα-helixtrans-70.3-39.1176-72.6172.4000111.1F117 L118 V121 A138 Y144 A145 F146F117-L142 HydrophobicContact CE1-CD2 4.06Å; F117-L142 HydrophobicContact CZ-CD2 4.35Å; L118-L142 HydrophobicContact CD2-CD1 4.41Å; V121-L142 HydrophobicContact CG1-CD2 4.28Å; A138-L142 HydrophobicContact CB-CD1 4.06Å; A138-L142 HydrophobicContact CB-CG 4.41Å; A138-L142 WeakPolarHBondContact O-CB 3.2Å; A138-L142 WeakPolarHBondContact O-CG 3.44Å; A138-L142 PolarHBondContact O-N 3.37Å; L142-Y144 VanDerWaalsContact C-N 3.35Å; L142-A145 PolarHBondContact O-N 2.88Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.9Å
143S85.6Confident72Confident24 Ų2494.9 Ų94.917%0.16849%0.487CS..Hα-helixtrans-63.4-42.5174.9-62.90000111.6H139 E140 S147H139-S143 VanDerWaalsContact O-CB 3.24Å; H139-S143 WeakPolarHBondContact O-CB 3.21Å; H139-S143 PolarHBondContact O-N 3.46Å; H139-S143 PolarHBondContact O-OG 2.8Å; E140-S143 PolarHBondContact O-N 2.95Å; S143-S147 WeakPolarHBondContact O-CB 3.24Å; S143-S147 PolarHBondContact O-N 2.69Å; S143-S147 PolarHBondContact O-OG 2.92Å
144Y86.8Confident72Confident168 Ų16893 Ų9366%0.65948%0.479SS*.Hα-helixtrans-65.6-50.6173.6175.9-100.5000111.7E140 L142 F146 S147 V148E140-Y144 WeakPolarHBondContact O-CB 3.13Å; E140-Y144 PolarHBondContact O-N 3.02Å; L142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-F146 VanDerWaalsContact C-N 3.32Å; Y144-F146 PolarHBondContact O-N 2.93Å; Y144-S147 WeakPolarHBondContact O-CA 3.5Å; Y144-S147 WeakPolarHBondContact O-CB 3.17Å; Y144-S147 PolarHBondContact O-N 3.14Å; Y144-V148 HydrophobicContact CD1-CG2 4.36Å; Y144-V148 HydrophobicContact CE1-CG2 3.89Å; Y144-V148 HydrophobicContact CE2-CG2 4.12Å; Y144-V148 WeakPolarHBondContact O-CG2 3.33Å; Y144-V148 PolarHBondContact O-N 3.04Å
145A87.1Confident72.5Confident39 Ų3994.8 Ų94.832%0.32247%0.472SS..Hα-helixtrans-59.3-42.2178.700000111.8F117 R141 L142 S147 V148 W149F117-A145 HydrophobicContact CE2-CB 4.45Å; F117-A145 HydrophobicContact CZ-CB 3.87Å; R141-A145 WeakPolarHBondContact O-CB 3.45Å; R141-A145 PolarHBondContact O-N 3.01Å; L142-A145 PolarHBondContact O-N 2.88Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.92Å; A145-V148 PolarHBondContact O-N 3.42Å; A145-W149 WeakPolarHBondContact O-CB 3.35Å; A145-W149 PolarHBondContact O-N 2.91Å
146F88Confident72.4Confident0 Ų093.6 Ų93.60%047%0.474CS..Hα-helixtrans-62.7-38.6173.5-179.5-112.3000112P95 L110 R113 Y114 F117 L142 Y144 W149 R150P95-F146 HydrophobicContact CB-CD1 3.91Å; P95-F146 HydrophobicContact CG-CD1 3.99Å; L110-F146 HydrophobicContact CD1-CE1 3.86Å; L110-F146 HydrophobicContact CD1-CZ 3.77Å; L110-F146 HydrophobicContact CG-CE1 4.33Å; L110-F146 HydrophobicContact CG-CZ 4.38Å; R113-F146 HydrophobicContact CB-CE2 4.44Å; R113-F146 HydrophobicContact CB-CZ 4.39Å; Y114-F146 HydrophobicContact CD2-CB 4.43Å; Y114-F146 HydrophobicContact CD2-CD1 4.13Å; Y114-F146 AromaticContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CD2 3.72Å; Y114-F146 HydrophobicContact CD2-CE1 4.25Å; Y114-F146 AromaticContact CD2-CE2 3.87Å; Y114-F146 HydrophobicContact CD2-CE2 3.87Å; Y114-F146 AromaticContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CG 3.83Å; Y114-F146 HydrophobicContact CD2-CZ 4.12Å; Y114-F146 HydrophobicContact CE2-CB 4.4Å; Y114-F146 HydrophobicContact CE2-CD2 4.46Å; Y114-F146 HydrophobicContact CE2-CG 4.27Å; Y114-F146 HydrophobicContact CG-CE2 4.42Å; Y114-F146 HydrophobicContact CG-CZ 4.39Å; F117-F146 HydrophobicContact CB-CD2 3.71Å; F117-F146 HydrophobicContact CB-CE2 3.99Å; F117-F146 HydrophobicContact CD1-CB 4.04Å; F117-F146 AromaticContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CD2 3.76Å; F117-F146 HydrophobicContact CD1-CG 4.31Å; F117-F146 HydrophobicContact CD2-CD2 4.24Å; F117-F146 HydrophobicContact CE1-CB 3.9Å; F117-F146 HydrophobicContact CE1-CD2 4.45Å; F117-F146 HydrophobicContact CG-CB 4.48Å; F117-F146 AromaticContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CD2 3.63Å; F117-F146 HydrophobicContact CG-CE2 4.4Å; F117-F146 HydrophobicContact CZ-CB 4.21Å; L142-F146 WeakPolarHBondContact O-CB 3.16Å; L142-F146 PolarHBondContact O-N 2.9Å; Y144-F146 VanDerWaalsContact C-N 3.32Å; Y144-F146 PolarHBondContact O-N 2.93Å; F146-W149 AromaticContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CZ3 4.13Å; F146-W149 AromaticContact CE2-CE3 3.86Å; F146-W149 HydrophobicContact CE2-CE3 3.86Å; F146-W149 AromaticContact CE2-CZ3 3.69Å; F146-W149 HydrophobicContact CE2-CZ3 3.69Å; F146-R150 WeakPolarHBondContact O-CB 3.2Å; F146-R150 PolarHBondContact O-N 3.18Å
147S87.9Confident72.3Confident33 Ų3390.5 Ų90.523%0.23147%0.47CS..Hα-helixtrans-64.1-42.7176.3-62.40000111.8S143 Y144 A145 M151S143-S147 WeakPolarHBondContact O-CB 3.24Å; S143-S147 PolarHBondContact O-N 2.69Å; S143-S147 PolarHBondContact O-OG 2.92Å; Y144-S147 WeakPolarHBondContact O-CA 3.5Å; Y144-S147 WeakPolarHBondContact O-CB 3.17Å; Y144-S147 PolarHBondContact O-N 3.14Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.92Å; S147-M151 WeakPolarHBondContact O-CB 3.5Å; S147-M151 WeakPolarHBondContact O-CG 3.4Å; S147-M151 PolarHBondContact O-N 3.25Å
148V85.1Confident72Confident54 Ų5489.6 Ų89.633%0.32747%0.474SS..Hα-helixtrans-65.5-51174.91760000110.4Y144 A145 R150 M151 E152Y144-V148 HydrophobicContact CD1-CG2 4.36Å; Y144-V148 HydrophobicContact CE1-CG2 3.89Å; Y144-V148 HydrophobicContact CE2-CG2 4.12Å; Y144-V148 WeakPolarHBondContact O-CG2 3.33Å; Y144-V148 PolarHBondContact O-N 3.04Å; A145-V148 PolarHBondContact O-N 3.42Å; V148-R150 PolarHBondContact O-N 2.73Å; V148-M151 CarbonylContact O-C 3.6Å; V148-M151 PolarHBondContact O-N 2.72Å; V148-E152 PolarHBondContact O-N 2.82Å
149W85.3Confident71.5Confident56 Ų5693 Ų9321%0.21250%0.503CS..Hα-helixtrans-56.4-36.5178.6179.888.2000112.8R113 F117 A145 F146 W155R113-W149 HydrophobicContact CB-CZ3 4.29Å; F117-W149 HydrophobicContact CB-CD2 4.31Å; F117-W149 HydrophobicContact CB-CE3 4.08Å; F117-W149 HydrophobicContact CB-CH2 3.91Å; F117-W149 HydrophobicContact CB-CZ2 4.19Å; F117-W149 HydrophobicContact CB-CZ3 3.89Å; F117-W149 HydrophobicContact CD2-CB 4.1Å; F117-W149 AromaticContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CD2 3.76Å; F117-W149 HydrophobicContact CD2-CE3 4.16Å; F117-W149 AromaticContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CD2-CG 3.74Å; F117-W149 HydrophobicContact CE2-CB 4.12Å; F117-W149 HydrophobicContact CE2-CG 4.17Å; F117-W149 HydrophobicContact CG-CD2 4.44Å; F117-W149 HydrophobicContact CG-CE3 4.43Å; A145-W149 WeakPolarHBondContact O-CB 3.35Å; A145-W149 PolarHBondContact O-N 2.91Å; F146-W149 AromaticContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CE3 3.85Å; F146-W149 HydrophobicContact CD2-CZ3 4.13Å; F146-W149 AromaticContact CE2-CE3 3.86Å; F146-W149 HydrophobicContact CE2-CE3 3.86Å; F146-W149 AromaticContact CE2-CZ3 3.69Å; F146-W149 HydrophobicContact CE2-CZ3 3.69Å; W149-W155 HydrophobicContact CE3-CZ3 4.32Å; W149-W155 AromaticContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CZ2 4.42Å; W149-W155 AromaticContact CH2-CZ3 3.26Å; W149-W155 HydrophobicContact CH2-CZ3 3.26Å; W149-W155 AromaticContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CZ2 4.22Å; W149-W155 AromaticContact CZ2-CZ3 3.8Å; W149-W155 HydrophobicContact CZ2-CZ3 3.8Å; W149-W155 AromaticContact CZ3-CH2 3.94Å; W149-W155 HydrophobicContact CZ3-CH2 3.94Å; W149-W155 AromaticContact CZ3-CZ3 3.54Å; W149-W155 HydrophobicContact CZ3-CZ3 3.54Å
150R84.2Confident70.3Confident52 Ų5293.4 Ų93.420%0.19652%0.518CS..Hα-helixtrans-73.1-29.6175.9-174.9-176.670.5167.91.6113.1F146 V148F146-R150 WeakPolarHBondContact O-CB 3.2Å; F146-R150 PolarHBondContact O-N 3.18Å; V148-R150 PolarHBondContact O-N 2.73Å
151M76.3Confident68.8Low138 Ų13897.4 Ų97.468%0.6854%0.537SS*.Hα-helixtrans-88.6-21.1-178.6-70-62.9-172.900113.1S147 V148 G153S147-M151 WeakPolarHBondContact O-CB 3.5Å; S147-M151 WeakPolarHBondContact O-CG 3.4Å; S147-M151 PolarHBondContact O-N 3.25Å; V148-M151 CarbonylContact O-C 3.6Å; V148-M151 PolarHBondContact O-N 2.72Å; M151-G153 PolarHBondContact O-N 3.43Å
152E68.9Low68.3Low144 Ų14493.8 Ų93.867%0.67353%0.531SS*.SBendtrans-70.472.7178-156.7105.8-147.400111.1V148 A154V148-E152 PolarHBondContact O-N 2.82Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 2.92Å
153G59.4Low67.5Low60 Ų6096.4 Ų96.462%0.61955%0.547SS*.SBendtrans61.1-28142.200000121.6M151 W155M151-G153 PolarHBondContact O-N 3.43Å; G153-W155 VanDerWaalsContact C-N 3.32Å; G153-W155 PolarHBondContact O-N 3.44Å
154A50Low66.5Low79 Ų79100.4 Ų100.465%0.65357%0.568SS**SBendtrans-73.6-23.8-170.500000113E152E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 2.92Å
155W56.9Low65.3Low131 Ų13196.5 Ų96.550%0.49656%0.563SS.*SBendtrans-125.9-5.2-164.4-53.3-25.3000115.9R113 W149 G153 M157R113-W155 HydrophobicContact CG-CZ3 4.22Å; W149-W155 HydrophobicContact CE3-CZ3 4.32Å; W149-W155 AromaticContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CH2 3.17Å; W149-W155 HydrophobicContact CH2-CZ2 4.42Å; W149-W155 AromaticContact CH2-CZ3 3.26Å; W149-W155 HydrophobicContact CH2-CZ3 3.26Å; W149-W155 AromaticContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CH2 3.29Å; W149-W155 HydrophobicContact CZ2-CZ2 4.22Å; W149-W155 AromaticContact CZ2-CZ3 3.8Å; W149-W155 HydrophobicContact CZ2-CZ3 3.8Å; W149-W155 AromaticContact CZ3-CH2 3.94Å; W149-W155 HydrophobicContact CZ3-CH2 3.94Å; W149-W155 AromaticContact CZ3-CZ3 3.54Å; W149-W155 HydrophobicContact CZ3-CZ3 3.54Å; G153-W155 VanDerWaalsContact C-N 3.32Å; G153-W155 PolarHBondContact O-N 3.44Å; W155-M157 PolarHBondContact O-N 3.44Å
156S54.1Low63.9Low102 Ų102100.1 Ų100.171%0.71358%0.578SS**THydrogen-bonded Turntrans-77.8-2.6178.3-163.60000114
157M48.6Very low62.3Low168 Ų168106.7 Ų106.783%0.82862%0.617SS**THydrogen-bonded Turntrans-109.318-172.6-66.9-81.786.200115.2W155W155-M157 PolarHBondContact O-N 3.44Å
158S45.9Very low60.5Low109 Ų109112 Ų11276%0.76264%0.644SS**SBendtrans-118.413.917756.10000115
159A51.3Low58.6Low101 Ų101116.5 Ų116.584%0.83567%0.669SS**  trans-111.434.9176.600000113.1
160S40.1Very low56.3Low124 Ų124121.5 Ų121.587%0.86771%0.707SS**  trans-98.4104.7161.8-1420000107.4
161H40.4Very low53.8Low250 Ų250127.8 Ų127.8100%1.15775%0.753SS**  trans-108.70160.4179.4-66.6000107.5

Retrieved 161 of 161 residues in 25 ms (Link to these results)