A0A077ZKT2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.2Very low51.7Low200 Ų200121 Ų12199%0.98557%0.572SS**  0-27.10-82.6-176.7174.200115W3 L4 H5M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.34Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-H5 PolarHBondContact O-CD2 3.23Å
2A47.8Very low51.1Low51 Ų51120.1 Ų120.142%0.42157%0.572SS.*Hα-helixtrans-58-33.4-179.100000115.1L4 H5 M6 V24A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.24Å; A2-H5 PolarHBondContact O-N 3.25Å; A2-M6 PolarHBondContact O-N 3.18Å; A2-V24 HydrophobicContact CB-CG1 4.37Å
3W47.3Very low50.6Low183 Ų183114.2 Ų114.269%0.69355%0.549SS*.Hα-helixtrans-64.7-34.4178.9-167.180.7000113.4M1 R7M1-W3 VanDerWaalsContact C-N 3.29Å; M1-W3 PolarHBondContact O-N 3.34Å; W3-R7 WeakPolarHBondContact O-CB 3.24Å; W3-R7 PolarHBondContact O-N 3.27Å
4L52.7Low50.3Low112 Ų112117.3 Ų117.359%0.58655%0.554SS**Hα-helixtrans-70.2-34.8175.5-100146.2000112.2M1 A2 R7 K8M1-L4 PolarHBondContact O-N 3.09Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.24Å; L4-R7 PolarHBondContact O-N 3.32Å; L4-K8 PolarHBondContact O-N 2.99Å; L4-K8 VanDerWaalsContact O-N 3.11Å
5H52.6Low49.8Very low123 Ų123120.9 Ų120.957%0.56957%0.574SS**Hα-helixtrans-70.5-40.5175.4-76.7-78.2000112.2M1 A2 R7 K8 A9M1-H5 PolarHBondContact O-CD2 3.23Å; A2-H5 PolarHBondContact O-N 3.25Å; H5-R7 VanDerWaalsContact C-N 3.31Å; H5-R7 PolarHBondContact O-N 3.33Å; H5-K8 PolarHBondContact O-N 3.28Å; H5-A9 VanDerWaalsContact O-CB 3.28Å; H5-A9 WeakPolarHBondContact O-CB 3.36Å; H5-A9 PolarHBondContact O-N 3.5Å
6M54.7Low49.2Very low101 Ų101119.1 Ų119.150%0.49858%0.577SS.*Hα-helixtrans-62.1-40.5171.4-75.9-163.5175.200111.5A2 K8 A9 Y10 V24A2-M6 PolarHBondContact O-N 3.18Å; M6-K8 PolarHBondContact O-N 3Å; M6-A9 WeakPolarHBondContact O-CB 3.32Å; M6-A9 PolarHBondContact O-N 3.5Å; M6-Y10 VanDerWaalsContact O-CD2 3.32Å; M6-Y10 WeakPolarHBondContact O-CD2 3.38Å; M6-Y10 PolarHBondContact O-N 3.35Å; M6-V24 HydrophobicContact CE-CG2 4.21Å; M6-V24 HydrophobicContact CG-CG2 4.37Å
7R54.3Low48.7Very low154 Ų154119.5 Ų119.558%0.58160%0.595SS**Hα-helixtrans-64.6-37.6179.6-158.8174.1-176.4-176.9-0.3113.3W3 L4 H5W3-R7 WeakPolarHBondContact O-CB 3.24Å; W3-R7 PolarHBondContact O-N 3.27Å; L4-R7 PolarHBondContact O-N 3.32Å; H5-R7 VanDerWaalsContact C-N 3.31Å; H5-R7 PolarHBondContact O-N 3.33Å
8K51.8Low48.1Very low147 Ų147123.8 Ų123.864%0.63960%0.603SS**Hα-helixtrans-70.6-40.5172.2-88.9-177.9175.6179.90112.3L4 H5 M6 Y10 S11 L12L4-K8 PolarHBondContact O-N 2.99Å; L4-K8 VanDerWaalsContact O-N 3.11Å; H5-K8 PolarHBondContact O-N 3.28Å; M6-K8 PolarHBondContact O-N 3Å; K8-Y10 VanDerWaalsContact C-N 3.34Å; K8-Y10 PolarHBondContact O-N 3Å; K8-S11 PolarHBondContact O-N 3.38Å; K8-S11 PolarHBondContact O-OG 3.17Å; K8-L12 PolarHBondContact O-N 2.94Å
9A53.9Low47.9Very low19 Ų19126.7 Ų126.716%0.15762%0.622CS.*Hα-helixtrans-60-40.417800000113.3H5 M6 S11 P13 V22H5-A9 VanDerWaalsContact O-CB 3.28Å; H5-A9 WeakPolarHBondContact O-CB 3.36Å; H5-A9 PolarHBondContact O-N 3.5Å; M6-A9 WeakPolarHBondContact O-CB 3.32Å; M6-A9 PolarHBondContact O-N 3.5Å; A9-S11 VanDerWaalsContact C-N 3.32Å; A9-S11 PolarHBondContact O-N 2.81Å; A9-P13 WeakPolarHBondContact O-CD 3.44Å; A9-V22 HydrophobicContact CB-CB 4Å; A9-V22 HydrophobicContact CB-CG1 4.11Å; A9-V22 HydrophobicContact CB-CG2 3.41Å; A9-V22 VanDerWaalsContact CB-CG2 3.41Å
10Y52.7Low47.8Very low172 Ų172124.4 Ų124.468%0.67562%0.615SS**Hα-helixtrans-70.3-25.3176.9-89.6-82.1000113.6M6 K8 Y14M6-Y10 VanDerWaalsContact O-CD2 3.32Å; M6-Y10 WeakPolarHBondContact O-CD2 3.38Å; M6-Y10 PolarHBondContact O-N 3.35Å; K8-Y10 VanDerWaalsContact C-N 3.34Å; K8-Y10 PolarHBondContact O-N 3Å; Y10-Y14 WeakPolarHBondContact O-CD2 3.35Å
11S53Low47.6Very low69 Ų69122 Ų12248%0.48362%0.622SS.*Hα-helixtrans-84.2-21-179.561.70000114.8K8 A9K8-S11 PolarHBondContact O-N 3.38Å; K8-S11 PolarHBondContact O-OG 3.17Å; A9-S11 VanDerWaalsContact C-N 3.32Å; A9-S11 PolarHBondContact O-N 2.81Å
12L43.6Very low47.6Very low110 Ų110116 Ų11658%0.57660%0.597SS**SBendtrans-76-40-175.2-92153.2000115.9K8 Y14 M15K8-L12 PolarHBondContact O-N 2.94Å; L12-Y14 PolarHBondContact O-N 2.97Å; L12-M15 PolarHBondContact O-N 3.46Å
13P45.6Very low47.6Very low43 Ų43121.4 Ų121.428%0.27962%0.617SS.*G310 helixtrans-69.8-21.318025-31.9000112.8A9 M15 C16 S17A9-P13 WeakPolarHBondContact O-CD 3.44Å; P13-M15 VanDerWaalsContact C-N 3.26Å; P13-M15 PolarHBondContact O-N 3.26Å; P13-C16 PolarHBondContact O-N 3.18Å; P13-S17 PolarHBondContact O-N 2.78Å
14Y45.7Very low47.5Very low158 Ų158115.5 Ų115.562%0.6260%0.601SS**G310 helixtrans-72.6-11.4178.3-85.6-80.6000114.7Y10 L12Y10-Y14 WeakPolarHBondContact O-CD2 3.35Å; L12-Y14 PolarHBondContact O-N 2.97Å
15M42.7Very low46.9Very low172 Ų172121.1 Ų121.185%0.84761%0.614SS**G310 helixtrans-104.3-9.8175.5-66.2-147.2125.900114.2L12 P13L12-M15 PolarHBondContact O-N 3.46Å; P13-M15 VanDerWaalsContact C-N 3.26Å; P13-M15 PolarHBondContact O-N 3.26Å
16C40.9Very low46.3Very low92 Ų92118.9 Ų118.962%0.62262%0.617SS**THydrogen-bonded Turntrans-142.17.9-169.9-79.10000116.8P13 R18P13-C16 PolarHBondContact O-N 3.18Å; C16-R18 PolarHBondContact O-N 2.9Å
17S40.3Very low45.5Very low126 Ų126120.2 Ų120.288%0.88163%0.633SS**  trans43.445.9178.4-61.60000113.4P13P13-S17 PolarHBondContact O-N 2.78Å
18R38.4Very low44.8Very low196 Ų196117.7 Ų117.774%0.7464%0.639SS**  trans-125.2134.5174.4-82-175.2174.4177.7-1.1109.2C16 V20C16-R18 PolarHBondContact O-N 2.9Å; R18-V20 PolarHBondContact O-N 3.05Å
19D42.9Very low44.3Very low179 Ų179118.1 Ų118.196%0.95765%0.647SS**  trans-67102.6172.6-75.1-32.4000109.4
20V46.9Very low43.4Very low80 Ų80123 Ų12349%0.48568%0.678SS.*  trans-99.4101174.9-1760000108.5R18 V22R18-V20 PolarHBondContact O-N 3.05Å; V20-V22 HydrophobicContact CG1-CG2 3.93Å
21G43.3Very low42.5Very low75 Ų75121.7 Ų121.777%0.77369%0.687SS**  trans-75.7119.2166.700000110.4
22V48.3Very low41.9Very low75 Ų75122.8 Ų122.846%0.45570%0.695SS.*  trans-103.2107.2175.8178.80000110.1A9 V20 V24A9-V22 HydrophobicContact CB-CB 4Å; A9-V22 HydrophobicContact CB-CG1 4.11Å; A9-V22 HydrophobicContact CB-CG2 3.41Å; A9-V22 VanDerWaalsContact CB-CG2 3.41Å; V20-V22 HydrophobicContact CG1-CG2 3.93Å; V22-V24 HydrophobicContact CG1-CG2 3.93Å; V22-V24 PolarHBondContact O-N 3.04Å
23I47.4Very low41.4Very low163 Ų163123.1 Ų123.184%0.83671%0.707SS**  trans-84.9101.9171.3-57.7174.5000107.6R25I23-R25 PolarHBondContact O-N 2.85Å
24V46.3Very low41Very low59 Ų59124.9 Ų124.936%0.35872%0.72SS.*  trans-83.1108.8172.2-176.80000108.4A2 M6 V22 A26A2-V24 HydrophobicContact CB-CG1 4.37Å; M6-V24 HydrophobicContact CE-CG2 4.21Å; M6-V24 HydrophobicContact CG-CG2 4.37Å; V22-V24 HydrophobicContact CG1-CG2 3.93Å; V22-V24 PolarHBondContact O-N 3.04Å; V24-A26 PolarHBondContact O-N 3.49Å
25R39.9Very low40.6Very low231 Ų231123 Ų12387%0.87274%0.737SS**  trans-73113.9164.8-82.6-175.2175.7178-1108.6I23I23-R25 PolarHBondContact O-N 2.85Å
26A40.2Very low40.2Very low75 Ų75117.3 Ų117.362%0.6272%0.717SS**  trans-66.9134.6171.100000110V24 S28V24-A26 PolarHBondContact O-N 3.49Å; A26-S28 VanDerWaalsContact C-N 3.31Å; A26-S28 PolarHBondContact O-N 2.99Å; A26-S28 VanDerWaalsContact O-N 3.08Å
27P37.3Very low39.9Very low129 Ų129118.7 Ų118.784%0.83873%0.728SS**SBendtrans-84.977.3174.834.1-29.7000109.3
28S39.1Very low39.8Very low102 Ų102122.7 Ų122.771%0.71373%0.725SS**  trans-176.969.1157.160.90000110.2A26A26-S28 VanDerWaalsContact C-N 3.31Å; A26-S28 PolarHBondContact O-N 2.99Å; A26-S28 VanDerWaalsContact O-N 3.08Å
29L41.1Very low39.9Very low155 Ų155120.7 Ų120.781%0.81273%0.729SS**SBendtrans-126.4125.4150.2-72.9171.9000104.9V31L29-V31 PolarHBondContact O-N 3Å
30P35Very low39.5Very low123 Ų123121.4 Ų121.480%0.79972%0.724SS**  trans-58.6130.617625.6-31000107.5S32P30-S32 PolarHBondContact O-N 3.09Å
31V35.4Very low39.3Very low144 Ų144121.1 Ų121.187%0.87374%0.737SS**  trans-64.390.1171-179.50000106.2L29 S33L29-V31 PolarHBondContact O-N 3Å; V31-S33 PolarHBondContact O-N 3.31Å
32S39Very low39.2Very low91 Ų91127.1 Ų127.164%0.63675%0.745SS**  trans-71.9107.5164.1172.20000107P30 S34P30-S32 PolarHBondContact O-N 3.09Å; S32-S34 PolarHBondContact O-N 3.31Å
33S33.3Very low39.3Very low118 Ų118131.1 Ų131.183%0.82576%0.763SS**  trans-65.380.2165.651.90000109.6V31V31-S33 PolarHBondContact O-N 3.31Å
34S37Very low39.4Very low79 Ų79128.7 Ų128.755%0.55276%0.758SS**  trans-152.387.616064.80000109.5S32 A36S32-S34 PolarHBondContact O-N 3.31Å; S34-A36 PolarHBondContact O-N 3.05Å
35A37.3Very low39.7Very low118 Ų118137.7 Ų137.798%0.97579%0.785SS**  trans-68.569148.300000107.5
36A34.5Very low40.4Very low54 Ų54138.2 Ų138.245%0.44679%0.787SS.*  trans-95.8110.4167.300000106.5S34 Y38S34-A36 PolarHBondContact O-N 3.05Å; A36-Y38 HydrophobicContact CB-CD2 4.18Å; A36-Y38 HydrophobicContact CB-CE2 4.21Å; A36-Y38 PolarHBondContact O-N 2.92Å
37S35.2Very low41.3Very low120 Ų120145.6 Ų145.684%0.83980%0.799SS**  trans-50.2104.916249.30000109.2
38Y37.8Very low42.4Very low211 Ų211145.2 Ų145.283%0.82780%0.797SS**  trans-99.793.3166.9-97.8-89.7000108.9A36A36-Y38 HydrophobicContact CB-CD2 4.18Å; A36-Y38 HydrophobicContact CB-CE2 4.21Å; A36-Y38 PolarHBondContact O-N 2.92Å
39D40.3Very low43.5Very low153 Ų153144.6 Ų144.682%0.81880%0.798SS**  trans-76.6111.4152.2-17220.9000107.4
40K35.2Very low44.4Very low195 Ų195142.6 Ų142.685%0.84879%0.794SS**SBendtrans163.9105160-93.6168.2-173.6-175.30109.4
41G41.5Very low46.1Very low74 Ų74144.7 Ų144.776%0.76379%0.787SS**  trans85.470.1164.800000115.7L43G41-L43 PolarHBondContact O-N 2.91Å
42Q42Very low47.9Very low201 Ų201143.4 Ų143.494%0.93978%0.779SS**  trans-63.894.8169-81.2-179.3-3.900111
43L50.2Low49.2Very low158 Ų158141.6 Ų141.683%0.82777%0.765SS**  trans-64.2131.5151.8-84156000107.6G41 R45G41-L43 PolarHBondContact O-N 2.91Å; L43-R45 PolarHBondContact O-N 3.46Å; L43-R45 VanDerWaalsContact O-N 3.16Å
44P49.2Very low51.3Low112 Ų112139.4 Ų139.473%0.72775%0.747SS**  trans-60.6126.4-178.424.8-32.1000108.6R46P44-R46 VanDerWaalsContact C-N 3.32Å; P44-R46 PolarHBondContact O-N 2.87Å
45R53.5Low53.4Low249 Ų249143.6 Ų143.694%0.9476%0.755SS**  trans-56.593.2178.1-157.9176.6-171.6165.72.4108.6L43 R47L43-R45 PolarHBondContact O-N 3.46Å; L43-R45 VanDerWaalsContact O-N 3.16Å; R45-R47 PolarHBondContact O-N 3.41Å; R45-R47 VanDerWaalsContact O-N 3.09Å
46R54.1Low55.2Low242 Ų242141.6 Ų141.691%0.91374%0.735SS**  trans-61.3113.4-179-126-179.6-176.7-178.21.2107.4P44P44-R46 VanDerWaalsContact C-N 3.32Å; P44-R46 PolarHBondContact O-N 2.87Å
47R60Low57.1Low230 Ų230141.8 Ų141.887%0.86873%0.728SS**PPolyproline II helixtrans-56.5135.3172.2-69.3-176.6-171.2177.23.3107.6R45 A49R45-R47 PolarHBondContact O-N 3.41Å; R45-R47 VanDerWaalsContact O-N 3.09Å; R47-A49 PolarHBondContact O-N 3.35Å
48P60.3Low59Low121 Ų121141.8 Ų141.879%0.78671%0.713SS**PPolyproline II helixtrans-54.8133.8172.523.4-31.4000108.1
49A60.6Low60.9Low89 Ų89134.6 Ų134.674%0.73669%0.693SS**PPolyproline II helixtrans-55.7139.4-179.900000109.3R47 Y51R47-A49 PolarHBondContact O-N 3.35Å; A49-Y51 PolarHBondContact O-N 3.45Å
50P61.8Low62.8Low113 Ų113132.5 Ų132.573%0.73468%0.681SS**PPolyproline II helixtrans-55.8132.8177.223.5-31.9000108.9V52P50-V52 PolarHBondContact O-N 2.98Å
51Y69.7Low64.8Low166 Ų166126.8 Ų126.865%0.65166%0.657SS**  trans-59.2114.4177.5171.7-103.1000109.1A49 P53 D57A49-Y51 PolarHBondContact O-N 3.45Å; Y51-P53 HydrophobicContact CD1-CB 4.45Å; Y51-P53 HydrophobicContact CE1-CB 3.79Å; Y51-P53 VanDerWaalsContact O-CD 3.31Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; Y51-D57 WeakPolarHBondContact OH-CB 3.34Å; Y51-D57 PolarHBondContact OH-OD1 3.24Å; Y51-D57 PolarHBondContact OH-OD2 3.24Å
52V73.6Confident66.5Low117 Ų117128.6 Ų128.671%0.70965%0.647SS**  trans-93.9105.3174.9-176.90000106.8P50 T54P50-V52 PolarHBondContact O-N 2.98Å; V52-T54 PolarHBondContact O-N 2.94Å
53P66.6Low68.4Low54 Ų54122.3 Ų122.335%0.35163%0.625SS.*  trans-62.9126.8-177.323.2-31.6000109.7Y51 D57 K58Y51-P53 HydrophobicContact CD1-CB 4.45Å; Y51-P53 HydrophobicContact CE1-CB 3.79Å; Y51-P53 VanDerWaalsContact O-CD 3.31Å; Y51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-D57 HydrophobicContact CB-CB 4.15Å; P53-K58 HydrophobicContact CB-CG 4.3Å
54T77.4Confident69.9Low71 Ų71118.8 Ų118.844%0.43661%0.607SS.*  trans-67.1162.8172.363.70000109.8V52 S56 D57 K58V52-T54 PolarHBondContact O-N 2.94Å; T54-S56 PolarHBondContact O-N 2.98Å; T54-S56 PolarHBondContact OG1-OG 3.01Å; T54-D57 WeakPolarHBondContact CB-OD2 3.33Å; T54-D57 PolarHBondContact N-OD2 3.13Å; T54-D57 WeakPolarHBondContact O-CB 3.48Å; T54-D57 PolarHBondContact O-N 3.5Å; T54-D57 PolarHBondContact OG1-N 2.86Å; T54-D57 PolarHBondContact OG1-OD2 3.45Å; T54-K58 PolarHBondContact O-N 3.32Å; T54-K58 VanDerWaalsContact O-N 3.16Å
55F80Confident71.4Confident167 Ų167119.4 Ų119.473%0.73260%0.595SS**Hα-helixtrans-56.6-38.1176.1-178.1-99.3000111.8D57 K58 C59F55-D57 VanDerWaalsContact C-N 3.32Å; F55-D57 PolarHBondContact O-N 3.04Å; F55-K58 PolarHBondContact O-N 3.46Å; F55-C59 VanDerWaalsContact CE1-SG 3.51Å; F55-C59 PolarHBondContact O-N 3.34Å; F55-C59 PolarHBondContact O-SG 2.86Å
56S75.4Confident72.8Confident77 Ų77111.2 Ų111.254%0.53857%0.572SS.*Hα-helixtrans-58.8-40.6173.5340000112.8T54 K58 C59 L60T54-S56 PolarHBondContact O-N 2.98Å; T54-S56 PolarHBondContact OG1-OG 3.01Å; S56-K58 PolarHBondContact O-N 3.22Å; S56-C59 PolarHBondContact O-N 3.41Å; S56-L60 WeakPolarHBondContact O-CB 3.46Å; S56-L60 PolarHBondContact O-N 3.3Å
57D75Confident74.2Confident57 Ų57106.8 Ų106.831%0.30556%0.556SS.*Hα-helixtrans-67.1-38.9179.3-60.7-43.4000111.4Y51 P53 T54 F55 L60 H61Y51-D57 WeakPolarHBondContact OH-CB 3.34Å; Y51-D57 PolarHBondContact OH-OD1 3.24Å; Y51-D57 PolarHBondContact OH-OD2 3.24Å; P53-D57 HydrophobicContact CB-CB 4.15Å; T54-D57 WeakPolarHBondContact CB-OD2 3.33Å; T54-D57 PolarHBondContact N-OD2 3.13Å; T54-D57 WeakPolarHBondContact O-CB 3.48Å; T54-D57 PolarHBondContact O-N 3.5Å; T54-D57 PolarHBondContact OG1-N 2.86Å; T54-D57 PolarHBondContact OG1-OD2 3.45Å; F55-D57 VanDerWaalsContact C-N 3.32Å; F55-D57 PolarHBondContact O-N 3.04Å; D57-L60 PolarHBondContact O-N 3.29Å; D57-H61 VanDerWaalsContact O-CB 3.31Å; D57-H61 WeakPolarHBondContact O-CB 3.48Å; D57-H61 PolarHBondContact O-N 2.84Å
58K75Confident75.2Confident120 Ų12099.8 Ų99.852%0.52254%0.535SS..Hα-helixtrans-63.7-44.9174.8-64.9-179.8-176.3178.40111.6P53 T54 F55 S56 H61 M62P53-K58 HydrophobicContact CB-CG 4.3Å; T54-K58 PolarHBondContact O-N 3.32Å; T54-K58 VanDerWaalsContact O-N 3.16Å; F55-K58 PolarHBondContact O-N 3.46Å; S56-K58 PolarHBondContact O-N 3.22Å; K58-H61 PolarHBondContact O-N 3.17Å; K58-M62 WeakPolarHBondContact O-CG 3.37Å; K58-M62 PolarHBondContact O-N 3.17Å
59C77.4Confident76.2Confident61 Ų6197.7 Ų97.741%0.41252%0.524SS..Hα-helixtrans-63.5-42.7177.1-73.30000112.2F55 S56 H61 M62 S63F55-C59 VanDerWaalsContact CE1-SG 3.51Å; F55-C59 PolarHBondContact O-N 3.34Å; F55-C59 PolarHBondContact O-SG 2.86Å; S56-C59 PolarHBondContact O-N 3.41Å; C59-H61 VanDerWaalsContact C-N 3.33Å; C59-H61 PolarHBondContact O-N 3.07Å; C59-M62 PolarHBondContact O-N 3.05Å; C59-S63 PolarHBondContact O-N 3.49Å; C59-S63 PolarHBondContact O-OG 3.5Å
60L80.4Confident77.2Confident108 Ų108100 Ų10057%0.56552%0.517SS*.Hα-helixtrans-65.2-40.1177.1-162146.1000110.9S56 D57 M62 S63 L64S56-L60 WeakPolarHBondContact O-CB 3.46Å; S56-L60 PolarHBondContact O-N 3.3Å; D57-L60 PolarHBondContact O-N 3.29Å; L60-M62 PolarHBondContact O-N 3.19Å; L60-S63 WeakPolarHBondContact CA-OG 3.44Å; L60-S63 PolarHBondContact O-N 2.93Å; L60-S63 PolarHBondContact O-OG 2.85Å; L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.38Å
61H77.8Confident78.1Confident76 Ų76100.3 Ų100.335%0.35250%0.504SS..Hα-helixtrans-63.6-39.9174.4-163-47.9000112.5D57 K58 C59 R65D57-H61 VanDerWaalsContact O-CB 3.31Å; D57-H61 WeakPolarHBondContact O-CB 3.48Å; D57-H61 PolarHBondContact O-N 2.84Å; K58-H61 PolarHBondContact O-N 3.17Å; C59-H61 VanDerWaalsContact C-N 3.33Å; C59-H61 PolarHBondContact O-N 3.07Å; H61-R65 PolarHBondContact CE1-NE 3.41Å; H61-R65 PolarHBondContact CE1-NH2 3.43Å; H61-R65 PolarHBondContact ND1-NE 2.93Å; H61-R65 WeakPolarHBondContact O-CG 3.41Å; H61-R65 PolarHBondContact O-N 3.34Å; H61-R65 VanDerWaalsContact O-N 3.1Å
62M76.9Confident78.4Confident112 Ų11294.6 Ų94.655%0.55249%0.491SS*.Hα-helixtrans-67.2-43176.4-74.8-57.7-162.700112K58 C59 L60 L64 R65 V66K58-M62 WeakPolarHBondContact O-CG 3.37Å; K58-M62 PolarHBondContact O-N 3.17Å; C59-M62 PolarHBondContact O-N 3.05Å; L60-M62 PolarHBondContact O-N 3.19Å; M62-L64 VanDerWaalsContact C-N 3.3Å; M62-L64 PolarHBondContact O-N 2.95Å; M62-R65 PolarHBondContact O-N 3.47Å; M62-R65 VanDerWaalsContact O-N 3.15Å; M62-V66 WeakPolarHBondContact O-CG2 3.39Å; M62-V66 PolarHBondContact O-N 2.89Å
63S81.1Confident78.6Confident68 Ų6894.5 Ų94.548%0.47649%0.486SS..Hα-helixtrans-63.2-35.9177.4630000112.6C59 L60 R67C59-S63 PolarHBondContact O-N 3.49Å; C59-S63 PolarHBondContact O-OG 3.5Å; L60-S63 WeakPolarHBondContact CA-OG 3.44Å; L60-S63 PolarHBondContact O-N 2.93Å; L60-S63 PolarHBondContact O-OG 2.85Å; S63-R67 WeakPolarHBondContact O-CB 3.48Å; S63-R67 PolarHBondContact O-N 3.36Å
64L82.4Confident79.2Confident85 Ų8599.6 Ų99.645%0.44550%0.502SS..Hα-helixtrans-63.1-45.9171.6-77.9169000112L60 M62 V66 R67 D68L60-L64 HydrophobicContact CD2-CD1 3.71Å; L60-L64 HydrophobicContact CD2-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CG 3.35Å; L60-L64 PolarHBondContact O-N 3.38Å; M62-L64 VanDerWaalsContact C-N 3.3Å; M62-L64 PolarHBondContact O-N 2.95Å; L64-V66 PolarHBondContact O-N 3.46Å; L64-R67 PolarHBondContact O-N 3.38Å; L64-D68 PolarHBondContact O-N 2.96Å
65R81.3Confident79Confident124 Ų124105.9 Ų105.947%0.46852%0.518SS..Hα-helixtrans-59.4-47.8176.6-75.1-178.8-179.2175.74.8111.6H61 M62 R67 D68 S69H61-R65 PolarHBondContact CE1-NE 3.41Å; H61-R65 PolarHBondContact CE1-NH2 3.43Å; H61-R65 PolarHBondContact ND1-NE 2.93Å; H61-R65 WeakPolarHBondContact O-CG 3.41Å; H61-R65 PolarHBondContact O-N 3.34Å; H61-R65 VanDerWaalsContact O-N 3.1Å; M62-R65 PolarHBondContact O-N 3.47Å; M62-R65 VanDerWaalsContact O-N 3.15Å; R65-R67 VanDerWaalsContact C-N 3.31Å; R65-R67 PolarHBondContact O-N 3.22Å; R65-D68 PolarHBondContact O-N 3.23Å; R65-S69 PolarHBondContact O-N 2.88Å; R65-S69 PolarHBondContact O-OG 3.21Å
66V81.3Confident78.9Confident77 Ų77104.4 Ų104.447%0.46751%0.509SS..Hα-helixtrans-59.4-44.7177.8172.10000110.6M62 L64 D68 S69 F70M62-V66 WeakPolarHBondContact O-CG2 3.39Å; M62-V66 PolarHBondContact O-N 2.89Å; L64-V66 PolarHBondContact O-N 3.46Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.21Å; V66-S69 WeakPolarHBondContact O-CB 3.49Å; V66-S69 PolarHBondContact O-N 2.66Å; V66-F70 HydrophobicContact CG1-CD2 3.65Å; V66-F70 HydrophobicContact CG1-CE2 3.54Å; V66-F70 VanDerWaalsContact O-CD2 3.23Å; V66-F70 WeakPolarHBondContact O-CD2 3.33Å; V66-F70 PolarHBondContact O-N 2.89Å
67R84.2Confident79.2Confident150 Ų150103.6 Ų103.657%0.56650%0.503SS*.Hα-helixtrans-62-39.8178.2-175.1177.4-179.5173.53.1112.7S63 L64 R65 F70 R71S63-R67 WeakPolarHBondContact O-CB 3.48Å; S63-R67 PolarHBondContact O-N 3.36Å; L64-R67 PolarHBondContact O-N 3.38Å; R65-R67 VanDerWaalsContact C-N 3.31Å; R65-R67 PolarHBondContact O-N 3.22Å; R67-F70 PolarHBondContact O-N 3.44Å; R67-R71 PolarHBondContact O-N 2.89Å
68D81.6Confident79.6Confident83 Ų83106.2 Ų106.244%0.44452%0.516SS..Hα-helixtrans-72.2-35.8177.5-74.9-24.3000112L64 R65 V66 F70 R71 A72L64-D68 PolarHBondContact O-N 2.96Å; R65-D68 PolarHBondContact O-N 3.23Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.21Å; D68-F70 VanDerWaalsContact C-N 3.34Å; D68-F70 PolarHBondContact O-N 2.98Å; D68-R71 PolarHBondContact O-N 3.35Å; D68-R71 IonicContact OD1-CZ 3.9Å; D68-R71 IonicContact OD1-NH1 2.81Å; D68-R71 PolarHBondContact OD1-NH1 3.37Å; D68-A72 PolarHBondContact O-N 3.32Å
69S80.8Confident80.1Confident77 Ų77105.8 Ų105.854%0.53852%0.519SS..Hα-helixtrans-58.8-44.7168.8-55.80000111.7R65 V66 R71 A72 L73R65-S69 PolarHBondContact O-N 2.88Å; R65-S69 PolarHBondContact O-OG 3.21Å; V66-S69 WeakPolarHBondContact O-CB 3.49Å; V66-S69 PolarHBondContact O-N 2.66Å; S69-R71 VanDerWaalsContact C-N 3.34Å; S69-R71 PolarHBondContact O-N 3.48Å; S69-A72 PolarHBondContact O-N 2.86Å; S69-L73 WeakPolarHBondContact O-CB 3.49Å; S69-L73 PolarHBondContact O-N 2.86Å
70F80.8Confident80.4Confident138 Ų138112.1 Ų112.161%0.60553%0.534SS*.Hα-helixtrans-62.9-38.3175.1-87.7-70.2000112.6V66 R67 D68 L73 K74V66-F70 HydrophobicContact CG1-CD2 3.65Å; V66-F70 HydrophobicContact CG1-CE2 3.54Å; V66-F70 VanDerWaalsContact O-CD2 3.23Å; V66-F70 WeakPolarHBondContact O-CD2 3.33Å; V66-F70 PolarHBondContact O-N 2.89Å; R67-F70 PolarHBondContact O-N 3.44Å; D68-F70 VanDerWaalsContact C-N 3.34Å; D68-F70 PolarHBondContact O-N 2.98Å; F70-L73 PolarHBondContact O-N 2.96Å; F70-K74 WeakPolarHBondContact O-CB 3.34Å; F70-K74 PolarHBondContact O-N 3.45Å
71R80.9Confident80.8Confident119 Ų119109.7 Ų109.745%0.44953%0.527SS..Hα-helixtrans-65.5-41.8174.2-79.5-176.2-174.7137.7-5.3112.3R67 D68 S69 K74 R75R67-R71 PolarHBondContact O-N 2.89Å; D68-R71 PolarHBondContact O-N 3.35Å; D68-R71 IonicContact OD1-CZ 3.9Å; D68-R71 IonicContact OD1-NH1 2.81Å; D68-R71 PolarHBondContact OD1-NH1 3.37Å; S69-R71 VanDerWaalsContact C-N 3.34Å; S69-R71 PolarHBondContact O-N 3.48Å; R71-K74 PolarHBondContact O-N 2.9Å; R71-R75 PolarHBondContact O-N 3.25Å
72A76.5Confident81.3Confident45 Ų45111 Ų11137%0.37254%0.535SS..Hα-helixtrans-62.1-48.4175.700000110.2D68 S69 K74 R75 Y76D68-A72 PolarHBondContact O-N 3.32Å; S69-A72 PolarHBondContact O-N 2.86Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 3.42Å; A72-R75 WeakPolarHBondContact O-CB 3.34Å; A72-R75 PolarHBondContact O-N 2.86Å; A72-Y76 WeakPolarHBondContact O-CD2 3.47Å; A72-Y76 PolarHBondContact O-N 2.87Å
73L77.2Confident82Confident116 Ų116108 Ų10861%0.60753%0.528SS*.Hα-helixtrans-56-42.8176.4-16380.4000111.7S69 F70 R75 Y76 S77S69-L73 WeakPolarHBondContact O-CB 3.49Å; S69-L73 PolarHBondContact O-N 2.86Å; F70-L73 PolarHBondContact O-N 2.96Å; L73-R75 VanDerWaalsContact C-N 3.28Å; L73-R75 PolarHBondContact O-N 3.47Å; L73-Y76 CarbonylContact O-C 3.58Å; L73-Y76 PolarHBondContact O-N 2.92Å; L73-S77 WeakPolarHBondContact O-CB 3.4Å; L73-S77 PolarHBondContact O-N 2.86Å
74K78.7Confident82.5Confident161 Ų161106.4 Ų106.470%0.752%0.522SS*.Hα-helixtrans-65.2-27.2178-167.1174.7-177.8176.50113.6F70 R71 A72 S77F70-K74 WeakPolarHBondContact O-CB 3.34Å; F70-K74 PolarHBondContact O-N 3.45Å; R71-K74 PolarHBondContact O-N 2.9Å; A72-K74 VanDerWaalsContact C-N 3.28Å; A72-K74 PolarHBondContact O-N 3.42Å; K74-S77 PolarHBondContact O-OG 3.45Å
75R75Confident83Confident203 Ų203108.4 Ų108.477%0.76653%0.531SS*.Hα-helixtrans-72.1-41173.1-72.4-179.6178.1179.4-1111.2R71 A72 L73R71-R75 PolarHBondContact O-N 3.25Å; A72-R75 WeakPolarHBondContact O-CB 3.34Å; A72-R75 PolarHBondContact O-N 2.86Å; L73-R75 VanDerWaalsContact C-N 3.28Å; L73-R75 PolarHBondContact O-N 3.47Å
76Y78Confident83.6Confident136 Ų136104.3 Ų104.353%0.53352%0.524SS..Hα-helixtrans-78.7-22.2178.4-64.4-70.8000113A72 L73 L78 L79 W80A72-Y76 WeakPolarHBondContact O-CD2 3.47Å; A72-Y76 PolarHBondContact O-N 2.87Å; L73-Y76 CarbonylContact O-C 3.58Å; L73-Y76 PolarHBondContact O-N 2.92Å; Y76-L78 PolarHBondContact O-N 2.81Å; Y76-L79 HydrophobicContact CD1-CD1 4.07Å; Y76-L79 WeakPolarHBondContact O-CB 3.22Å; Y76-L79 PolarHBondContact O-N 3.49Å; Y76-W80 PolarHBondContact O-N 2.8Å
77S81.4Confident84.2Confident59 Ų59105.7 Ų105.741%0.41353%0.532SS..Hα-helixtrans-59.8-33.8-179.469.20000112.3L73 K74 W80 S81L73-S77 WeakPolarHBondContact O-CB 3.4Å; L73-S77 PolarHBondContact O-N 2.86Å; K74-S77 PolarHBondContact O-OG 3.45Å; S77-W80 PolarHBondContact O-N 3.02Å; S77-S81 WeakPolarHBondContact O-CB 3.32Å; S77-S81 PolarHBondContact O-N 3.37Å; S77-S81 PolarHBondContact O-OG 2.85Å
78L82.7Confident84.7Confident113 Ų113104.3 Ų104.359%0.59254%0.535SS*.Hα-helixtrans-65.1-45.9174.7-113.6159.5000111.2Y76 W80 S81 I82Y76-L78 PolarHBondContact O-N 2.81Å; L78-W80 PolarHBondContact O-N 3.05Å; L78-S81 WeakPolarHBondContact CA-OG 3.5Å; L78-S81 PolarHBondContact O-N 2.88Å; L78-S81 PolarHBondContact O-OG 3.33Å; L78-I82 HydrophobicContact CD2-CD1 4.35Å; L78-I82 WeakPolarHBondContact O-CG1 3.36Å; L78-I82 PolarHBondContact O-N 3.44Å
79L85.1Confident85.3Confident110 Ų110106.6 Ų106.658%0.57654%0.541SS*.Hα-helixtrans-62.8-43.6176.1-69.6170.5000111.7Y76 S81 I82 A83Y76-L79 HydrophobicContact CD1-CD1 4.07Å; Y76-L79 WeakPolarHBondContact O-CB 3.22Å; Y76-L79 PolarHBondContact O-N 3.49Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 2.95Å; L79-I82 PolarHBondContact O-N 2.66Å; L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 3.21Å
80W85.2Confident85.8Confident194 Ų194109.3 Ų109.374%0.73554%0.544SS*.Hα-helixtrans-62.3-38.3174.7-76.3112.3000112.3Y76 S77 L78 A83 G84Y76-W80 PolarHBondContact O-N 2.8Å; S77-W80 PolarHBondContact O-N 3.02Å; L78-W80 PolarHBondContact O-N 3.05Å; W80-A83 PolarHBondContact O-N 2.84Å; W80-G84 PolarHBondContact O-N 3.5Å
81S87Confident86.2Confident58 Ų58104 Ų10441%0.40653%0.528SS..Hα-helixtrans-66.5-42.5176.670.20000112S77 L78 L79 G84 M85S77-S81 WeakPolarHBondContact O-CB 3.32Å; S77-S81 PolarHBondContact O-N 3.37Å; S77-S81 PolarHBondContact O-OG 2.85Å; L78-S81 WeakPolarHBondContact CA-OG 3.5Å; L78-S81 PolarHBondContact O-N 2.88Å; L78-S81 PolarHBondContact O-OG 3.33Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 2.95Å; S81-G84 PolarHBondContact O-N 2.86Å; S81-M85 WeakPolarHBondContact O-CB 3.47Å; S81-M85 VanDerWaalsContact O-CG 3.24Å; S81-M85 WeakPolarHBondContact O-CG 3.26Å; S81-M85 PolarHBondContact O-N 3.39Å
82I89.8Confident86.8Confident104 Ų104101.8 Ų101.853%0.53353%0.531SS..Hα-helixtrans-66.1-44.2177.5-66164.2000110L78 L79 M85 A86L78-I82 HydrophobicContact CD2-CD1 4.35Å; L78-I82 WeakPolarHBondContact O-CG1 3.36Å; L78-I82 PolarHBondContact O-N 3.44Å; L79-I82 PolarHBondContact O-N 2.66Å; I82-M85 PolarHBondContact O-N 3.28Å; I82-A86 WeakPolarHBondContact O-CB 3.24Å; I82-A86 PolarHBondContact O-N 3.18Å
83A90.5Very high87.4Confident48 Ų48106.6 Ų106.640%0.39754%0.54SS..Hα-helixtrans-60.9-45.8176.400000111.4L79 W80 M85 A86 V87L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 3.21Å; W80-A83 PolarHBondContact O-N 2.84Å; A83-M85 PolarHBondContact O-N 2.95Å; A83-A86 PolarHBondContact O-N 3.23Å; A83-V87 VanDerWaalsContact O-CG2 3.3Å; A83-V87 WeakPolarHBondContact O-CG2 3.31Å; A83-V87 PolarHBondContact O-N 3.49Å
84G92.4Very high87.8Confident34 Ų34103.8 Ų103.835%0.35153%0.528SS..Hα-helixtrans-60.2-45.5175.400000112.3W80 S81 A86 V87 L88W80-G84 PolarHBondContact O-N 3.5Å; S81-G84 PolarHBondContact O-N 2.86Å; G84-A86 PolarHBondContact O-N 3.19Å; G84-V87 PolarHBondContact O-N 3.32Å; G84-L88 WeakPolarHBondContact O-CG 3.36Å; G84-L88 PolarHBondContact O-N 2.89Å
85M93.4Very high88.2Confident127 Ų127102.1 Ų102.163%0.62653%0.526SS*.Hα-helixtrans-63.4-40.4177-73.4-59.1-64.700112.4S81 I82 A83 L88 F89S81-M85 WeakPolarHBondContact O-CB 3.47Å; S81-M85 VanDerWaalsContact O-CG 3.24Å; S81-M85 WeakPolarHBondContact O-CG 3.26Å; S81-M85 PolarHBondContact O-N 3.39Å; I82-M85 PolarHBondContact O-N 3.28Å; A83-M85 PolarHBondContact O-N 2.95Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 HydrophobicContact SD-CD1 4.46Å; M85-F89 VanDerWaalsContact O-CB 3.28Å; M85-F89 WeakPolarHBondContact O-CB 3.44Å; M85-F89 PolarHBondContact O-N 2.88Å
86A93.4Very high88.9Confident39 Ų3998.7 Ų98.732%0.32251%0.514SS..Hα-helixtrans-62.8-45.3174.900000111.1I82 A83 G84 L88 F89 F90I82-A86 WeakPolarHBondContact O-CB 3.24Å; I82-A86 PolarHBondContact O-N 3.18Å; A83-A86 PolarHBondContact O-N 3.23Å; G84-A86 PolarHBondContact O-N 3.19Å; A86-L88 PolarHBondContact O-N 3.34Å; A86-F89 PolarHBondContact O-N 3.49Å; A86-F90 HydrophobicContact CB-CD2 4.46Å; A86-F90 WeakPolarHBondContact O-CD2 3.29Å; A86-F90 PolarHBondContact O-N 3.29Å
87V93.7Very high89.2Confident106 Ų10693.2 Ų93.264%0.64250%0.497SS*.Hα-helixtrans-62.1-43.3177.3171.90000111.2A83 G84 G91A83-V87 VanDerWaalsContact O-CG2 3.3Å; A83-V87 WeakPolarHBondContact O-CG2 3.31Å; A83-V87 PolarHBondContact O-N 3.49Å; G84-V87 PolarHBondContact O-N 3.32Å; V87-G91 WeakPolarHBondContact O-CA 3.47Å; V87-G91 PolarHBondContact O-N 3.02Å
88L94.9Very high89.3Confident120 Ų12097.8 Ų97.863%0.62851%0.505SS*.Hα-helixtrans-64.1-41.7175.6-71.5172.8000111.9G84 M85 A86 S92G84-L88 WeakPolarHBondContact O-CG 3.36Å; G84-L88 PolarHBondContact O-N 2.89Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 HydrophobicContact SD-CD1 4.46Å; A86-L88 PolarHBondContact O-N 3.34Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.25Å; L88-S92 PolarHBondContact O-N 2.92Å; L88-S92 PolarHBondContact O-OG 2.94Å
89F94.6Very high89.5Confident132 Ų132102.7 Ų102.758%0.57952%0.516SS*.Hα-helixtrans-64.1-52.6178-178.3-97.2000111.9M85 A86 G91 S92 Y93M85-F89 VanDerWaalsContact O-CB 3.28Å; M85-F89 WeakPolarHBondContact O-CB 3.44Å; M85-F89 PolarHBondContact O-N 2.88Å; A86-F89 PolarHBondContact O-N 3.49Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 2.8Å; F89-S92 PolarHBondContact O-N 3.5Å; F89-S92 PolarHBondContact O-OG 3.41Å; F89-Y93 VanDerWaalsContact O-CB 3.26Å; F89-Y93 WeakPolarHBondContact O-CB 3.42Å; F89-Y93 PolarHBondContact O-N 3.11Å
90F90.1Very high89.6Confident133 Ų133102.7 Ų102.758%0.58351%0.512SS*.Hα-helixtrans-66.5-35.7177.7-73.8-67000112.3A86 T94A86-F90 HydrophobicContact CB-CD2 4.46Å; A86-F90 WeakPolarHBondContact O-CD2 3.29Å; A86-F90 PolarHBondContact O-N 3.29Å; F90-T94 WeakPolarHBondContact O-CB 3.39Å; F90-T94 VanDerWaalsContact O-CG2 3.26Å; F90-T94 WeakPolarHBondContact O-CG2 3.43Å; F90-T94 PolarHBondContact O-N 3.45Å; F90-T94 PolarHBondContact O-OG1 3.17Å
91G90.9Very high89.4Confident28 Ų2898.3 Ų98.329%0.28950%0.495SS..Hα-helixtrans-63.3-49.317500000112.4V87 F89 T94 L95V87-G91 WeakPolarHBondContact O-CA 3.47Å; V87-G91 PolarHBondContact O-N 3.02Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 2.8Å; G91-T94 PolarHBondContact O-N 2.99Å; G91-T94 PolarHBondContact O-OG1 3.43Å; G91-L95 WeakPolarHBondContact O-CB 3.14Å; G91-L95 WeakPolarHBondContact O-CG 3.34Å; G91-L95 PolarHBondContact O-N 2.89Å
92S92.8Very high88.9Confident71 Ų71100 Ų10050%0.49751%0.505SS..Hα-helixtrans-65.2-40.2176.257.50000112.4L88 F89 T94 L95 Y96L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.25Å; L88-S92 PolarHBondContact O-N 2.92Å; L88-S92 PolarHBondContact O-OG 2.94Å; F89-S92 PolarHBondContact O-N 3.5Å; F89-S92 PolarHBondContact O-OG 3.41Å; S92-T94 PolarHBondContact O-N 3.45Å; S92-L95 PolarHBondContact O-N 3.27Å; S92-Y96 VanDerWaalsContact O-CB 3.31Å; S92-Y96 WeakPolarHBondContact O-CB 3.43Å; S92-Y96 PolarHBondContact O-N 3.38Å
93Y89.2Confident88.2Confident146 Ų146101.7 Ų101.757%0.57352%0.515SS*.Hα-helixtrans-60.5-45.4175.4177.3-97.7000112.2F89 Y96 A97F89-Y93 VanDerWaalsContact O-CB 3.26Å; F89-Y93 WeakPolarHBondContact O-CB 3.42Å; F89-Y93 PolarHBondContact O-N 3.11Å; Y93-Y96 PolarHBondContact O-N 3.49Å; Y93-A97 VanDerWaalsContact O-CB 3.32Å; Y93-A97 WeakPolarHBondContact O-CB 3.28Å; Y93-A97 PolarHBondContact O-N 2.87Å
94T85.1Confident87.3Confident57 Ų57102.3 Ų102.335%0.3551%0.51SS..Hα-helixtrans-68.7-39179.650.70000112.4F90 G91 S92 A97 R98 I106F90-T94 WeakPolarHBondContact O-CB 3.39Å; F90-T94 VanDerWaalsContact O-CG2 3.26Å; F90-T94 WeakPolarHBondContact O-CG2 3.43Å; F90-T94 PolarHBondContact O-N 3.45Å; F90-T94 PolarHBondContact O-OG1 3.17Å; G91-T94 PolarHBondContact O-N 2.99Å; G91-T94 PolarHBondContact O-OG1 3.43Å; S92-T94 PolarHBondContact O-N 3.45Å; T94-A97 PolarHBondContact O-N 3.46Å; T94-R98 WeakPolarHBondContact O-CB 3.26Å; T94-R98 PolarHBondContact O-N 2.8Å; T94-I106 HydrophobicContact CG2-CG2 4.05Å
95L88Confident86.2Confident127 Ų127101.9 Ų101.967%0.66550%0.501SS*.Hα-helixtrans-61.8-45.6172.1-76167.8000111.7G91 S92 R98 W99G91-L95 WeakPolarHBondContact O-CB 3.14Å; G91-L95 WeakPolarHBondContact O-CG 3.34Å; G91-L95 PolarHBondContact O-N 2.89Å; S92-L95 PolarHBondContact O-N 3.27Å; L95-R98 PolarHBondContact O-N 3.06Å; L95-W99 PolarHBondContact O-N 3.34Å
96Y89.1Confident85.1Confident131 Ų13199.1 Ų99.151%0.51449%0.488SS..Hα-helixtrans-62.9-45177.5179.9-97.6000111.9S92 Y93 R98 W99 K100S92-Y96 VanDerWaalsContact O-CB 3.31Å; S92-Y96 WeakPolarHBondContact O-CB 3.43Å; S92-Y96 PolarHBondContact O-N 3.38Å; Y93-Y96 PolarHBondContact O-N 3.49Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3.23Å; Y96-W99 PolarHBondContact O-N 3.29Å; Y96-K100 HydrophobicContact CE1-CD 4.05Å; Y96-K100 WeakPolarHBondContact O-CB 3.39Å; Y96-K100 PolarHBondContact O-N 3.36Å
97A83.7Confident84.2Confident21 Ų21101 Ų10117%0.17449%0.493CS..Hα-helixtrans-60.8-43.317700000111.5Y93 T94 W99 K100 Y101Y93-A97 VanDerWaalsContact O-CB 3.32Å; Y93-A97 WeakPolarHBondContact O-CB 3.28Å; Y93-A97 PolarHBondContact O-N 2.87Å; T94-A97 PolarHBondContact O-N 3.46Å; A97-W99 VanDerWaalsContact C-N 3.31Å; A97-W99 PolarHBondContact O-N 3.32Å; A97-K100 PolarHBondContact O-N 3.41Å; A97-Y101 PolarHBondContact O-N 3.2Å
98R84Confident83.3Confident154 Ų154102.4 Ų102.458%0.58150%0.496SS*.Hα-helixtrans-64-35.9176.6-168.7169.3-178.5128.70.1112.5T94 L95 Y96 P102 I106T94-R98 WeakPolarHBondContact O-CB 3.26Å; T94-R98 PolarHBondContact O-N 2.8Å; L95-R98 PolarHBondContact O-N 3.06Å; Y96-R98 VanDerWaalsContact C-N 3.33Å; Y96-R98 PolarHBondContact O-N 3.23Å; R98-P102 WeakPolarHBondContact O-CA 3.3Å; R98-I106 HydrophobicContact CB-CD1 3.7Å; R98-I106 HydrophobicContact CG-CD1 3.83Å
99W86.7Confident82.2Confident217 Ų217105.3 Ų105.382%0.82250%0.5SS*.Hα-helixtrans-72.6-39.3178.2-169.645.6000112.3L95 Y96 A97L95-W99 PolarHBondContact O-N 3.34Å; Y96-W99 PolarHBondContact O-N 3.29Å; A97-W99 VanDerWaalsContact C-N 3.31Å; A97-W99 PolarHBondContact O-N 3.32Å
100K86.7Confident81.4Confident110 Ų110102.6 Ų102.648%0.47849%0.489SS..Hα-helixtrans-76.9-32.9179.7-169.2172.4-177.7174.10113.2Y96 A97Y96-K100 HydrophobicContact CE1-CD 4.05Å; Y96-K100 WeakPolarHBondContact O-CB 3.39Å; Y96-K100 PolarHBondContact O-N 3.36Å; A97-K100 PolarHBondContact O-N 3.41Å
101Y81.1Confident80.9Confident101 Ų10199.5 Ų99.540%0.39647%0.474SS..  trans-133.375.5-176.5-51.7-67.3000110.3A97 D103 Q104A97-Y101 PolarHBondContact O-N 3.2Å; Y101-D103 PolarHBondContact O-N 3.23Å; Y101-Q104 PolarHBondContact O-N 3.47Å
102P75.9Confident80.3Confident93 Ų93105.7 Ų105.760%0.60449%0.488SS*.THydrogen-bonded Turntrans-61.8-31.3-173.423.9-33.9000113.4R98R98-P102 WeakPolarHBondContact O-CA 3.3Å
103D75.5Confident79.8Confident141 Ų141106.1 Ų106.175%0.75449%0.488SS*.THydrogen-bonded Turntrans-93.1-3.3-176-53.3-45000113.4Y101Y101-D103 PolarHBondContact O-N 3.23Å
104Q72.2Confident79.2Confident60 Ų60101.5 Ų101.528%0.2847%0.473SS..SBendtrans-89.6130.8-179.5-70.3-169.8-23.900111.3Y101 I106 K127Y101-Q104 PolarHBondContact O-N 3.47Å; Q104-I106 PolarHBondContact O-N 3.04Å; Q104-K127 VanDerWaalsContact NE2-NZ 3.13Å
105P69.7Low79Confident26 Ų26104.3 Ų104.317%0.16948%0.482CS..  trans-64.6128.8175.227.8-36000110Q110 W111 L114 M124P105-Q110 HydrophobicContact CB-CB 3.63Å; P105-W111 HydrophobicContact CG-CB 4.44Å; P105-W111 HydrophobicContact CG-CD2 4.37Å; P105-W111 HydrophobicContact CG-CE3 3.44Å; P105-W111 VanDerWaalsContact CG-CE3 3.44Å; P105-W111 HydrophobicContact CG-CZ3 4.02Å; P105-L114 HydrophobicContact CB-CD1 3.85Å; P105-L114 HydrophobicContact CG-CD1 3.96Å; P105-M124 VanDerWaalsContact CD-SD 3.6Å; P105-M124 HydrophobicContact CG-CE 3.49Å; P105-M124 VanDerWaalsContact CG-CE 3.49Å
106I70.1Confident78.8Confident68 Ų68106.8 Ų106.835%0.34949%0.487SS..SBendtrans-83.6-23.1-173.3-58.2165.5000110.6T94 R98 Q104T94-I106 HydrophobicContact CG2-CG2 4.05Å; R98-I106 HydrophobicContact CB-CD1 3.7Å; R98-I106 HydrophobicContact CG-CD1 3.83Å; Q104-I106 PolarHBondContact O-N 3.04Å
107N74Confident78.5Confident78 Ų78104.9 Ų104.942%0.41749%0.486SS..SBendtrans-129.2160.5-179.685.815000112.8Y109 Q110 W111N107-Y109 PolarHBondContact O-N 2.99Å; N107-Y109 VanDerWaalsContact OD1-CA 3.29Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.48Å; N107-Y109 VanDerWaalsContact OD1-CB 3.25Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Y109 PolarHBondContact OD1-N 3.42Å; N107-Q110 PolarHBondContact O-N 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CB 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.5Å; N107-Q110 PolarHBondContact OD1-N 3.43Å; N107-W111 PolarHBondContact O-N 3Å
108L74.3Confident78.2Confident136 Ų136111.2 Ų111.271%0.71252%0.517SS*.Hα-helixtrans-62.7-26.6177.5-72.5164.7000113.2R112L108-R112 PolarHBondContact O-N 2.92Å
109Y73.6Confident77.9Confident181 Ų181110.4 Ų110.471%0.7152%0.518SS*.Hα-helixtrans-68.4-46.7176.2-84.5-85.8000111.8N107 W111 R112 T113N107-Y109 PolarHBondContact O-N 2.99Å; N107-Y109 VanDerWaalsContact OD1-CA 3.29Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.48Å; N107-Y109 VanDerWaalsContact OD1-CB 3.25Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.33Å; N107-Y109 PolarHBondContact OD1-N 3.42Å; Y109-W111 VanDerWaalsContact C-N 3.29Å; Y109-W111 PolarHBondContact O-N 3.27Å; Y109-R112 PolarHBondContact O-N 3.47Å; Y109-T113 WeakPolarHBondContact O-CG2 3.3Å; Y109-T113 PolarHBondContact O-N 3.19Å; Y109-T113 PolarHBondContact O-OG1 2.97Å
110Q76.7Confident77.2Confident75 Ų75101.4 Ų101.435%0.3549%0.485SS..Hα-helixtrans-62.2-40.7175.3-75.9-177.9-22.200110P105 N107 T113 L114P105-Q110 HydrophobicContact CB-CB 3.63Å; N107-Q110 PolarHBondContact O-N 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CB 3.24Å; N107-Q110 WeakPolarHBondContact OD1-CG 3.5Å; N107-Q110 PolarHBondContact OD1-N 3.43Å; Q110-T113 VanDerWaalsContact CA-OG1 3.24Å; Q110-T113 WeakPolarHBondContact CA-OG1 3.44Å; Q110-T113 PolarHBondContact O-N 2.95Å; Q110-T113 PolarHBondContact O-OG1 2.81Å; Q110-L114 WeakPolarHBondContact O-CB 3.45Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.25Å
111W79.8Confident76.8Confident69 Ų6999.8 Ų99.826%0.26149%0.485SS..Hα-helixtrans-56.9-53.6172-170.7-81000111.3P105 N107 Y109 T113 L114 E115 L120 M124P105-W111 HydrophobicContact CG-CB 4.44Å; P105-W111 HydrophobicContact CG-CD2 4.37Å; P105-W111 HydrophobicContact CG-CE3 3.44Å; P105-W111 VanDerWaalsContact CG-CE3 3.44Å; P105-W111 HydrophobicContact CG-CZ3 4.02Å; N107-W111 PolarHBondContact O-N 3Å; Y109-W111 VanDerWaalsContact C-N 3.29Å; Y109-W111 PolarHBondContact O-N 3.27Å; W111-T113 VanDerWaalsContact C-N 3.32Å; W111-T113 PolarHBondContact O-N 3.42Å; W111-L114 PolarHBondContact O-N 2.96Å; W111-E115 WeakPolarHBondContact O-CB 3.48Å; W111-E115 PolarHBondContact O-N 2.92Å; W111-L120 HydrophobicContact CD2-CD2 4.48Å; W111-L120 HydrophobicContact CH2-CD2 3.59Å; W111-L120 HydrophobicContact CZ2-CD2 3.32Å; W111-L120 HydrophobicContact CZ3-CD2 4.31Å; W111-M124 HydrophobicContact CE3-CE 3.89Å; W111-M124 HydrophobicContact CH2-CB 4.25Å; W111-M124 HydrophobicContact CH2-CE 3.9Å; W111-M124 HydrophobicContact CZ3-CE 3.39Å
112R77.7Confident76.8Confident158 Ų158100 Ų10060%0.59650%0.498SS*.Hα-helixtrans-62.1-36178.9-77.1-169.9-152.8175.16.2113.4L108 Y109 K116L108-R112 PolarHBondContact O-N 2.92Å; Y109-R112 PolarHBondContact O-N 3.47Å; R112-K116 WeakPolarHBondContact O-CB 3.34Å; R112-K116 WeakPolarHBondContact O-CG 3.12Å; R112-K116 PolarHBondContact O-N 3.07Å
113T82.6Confident77.1Confident79 Ų79102.2 Ų102.249%0.48550%0.501SS..Hα-helixtrans-68.1-41176.648.90000111.2Y109 Q110 W111 E115 K116 D117Y109-T113 WeakPolarHBondContact O-CG2 3.3Å; Y109-T113 PolarHBondContact O-N 3.19Å; Y109-T113 PolarHBondContact O-OG1 2.97Å; Q110-T113 VanDerWaalsContact CA-OG1 3.24Å; Q110-T113 WeakPolarHBondContact CA-OG1 3.44Å; Q110-T113 PolarHBondContact O-N 2.95Å; Q110-T113 PolarHBondContact O-OG1 2.81Å; W111-T113 VanDerWaalsContact C-N 3.32Å; W111-T113 PolarHBondContact O-N 3.42Å; T113-E115 VanDerWaalsContact C-N 3.32Å; T113-E115 PolarHBondContact O-N 3.25Å; T113-K116 PolarHBondContact O-N 3.05Å; T113-D117 WeakPolarHBondContact O-CB 3.33Å; T113-D117 PolarHBondContact O-N 3.41Å
114L77.7Confident77.2Confident49 Ų4996.2 Ų96.226%0.25747%0.468SS..Hα-helixtrans-66.6-37.1176.4-70.9168.1000111.5P105 Q110 W111 D117 D118 K119 L120 M124P105-L114 HydrophobicContact CB-CD1 3.85Å; P105-L114 HydrophobicContact CG-CD1 3.96Å; Q110-L114 WeakPolarHBondContact O-CB 3.45Å; Q110-L114 WeakPolarHBondContact O-CG 3.38Å; Q110-L114 PolarHBondContact O-N 3.25Å; W111-L114 PolarHBondContact O-N 2.96Å; L114-D117 PolarHBondContact O-N 3.23Å; L114-D118 PolarHBondContact O-N 3.08Å; L114-K119 HydrophobicContact CD2-CB 4.17Å; L114-K119 PolarHBondContact O-N 3.39Å; L114-L120 HydrophobicContact CB-CD1 3.6Å; L114-L120 HydrophobicContact CB-CG 4.38Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; L114-M124 HydrophobicContact CD1-CE 4.49Å
115E79.5Confident77.6Confident116 Ų11696.6 Ų96.654%0.54247%0.472SS..Hα-helixtrans-66.3-39.5178-174.2177.6-157.600111.6W111 T113 D118 L120W111-E115 WeakPolarHBondContact O-CB 3.48Å; W111-E115 PolarHBondContact O-N 2.92Å; T113-E115 VanDerWaalsContact C-N 3.32Å; T113-E115 PolarHBondContact O-N 3.25Å; E115-D118 PolarHBondContact O-N 3.35Å; E115-L120 HydrophobicContact CB-CD1 3.89Å
116K84.4Confident78.4Confident180 Ų18099.9 Ų99.978%0.78349%0.488SS*.Hα-helixtrans-68.2-35.7173.4-76.3-177.8177.1-169.20113.3R112 T113 D118R112-K116 WeakPolarHBondContact O-CB 3.34Å; R112-K116 WeakPolarHBondContact O-CG 3.12Å; R112-K116 PolarHBondContact O-N 3.07Å; T113-K116 PolarHBondContact O-N 3.05Å; K116-D118 PolarHBondContact O-N 3.45Å
117D82.6Confident79Confident91 Ų91101.4 Ų101.449%0.48749%0.492SS..THydrogen-bonded Turntrans-80.6-2.5-179.3-84.118.2000113.2T113 L114 K119T113-D117 WeakPolarHBondContact O-CB 3.33Å; T113-D117 PolarHBondContact O-N 3.41Å; L114-D117 PolarHBondContact O-N 3.23Å; D117-K119 HydrophobicContact CB-CB 4.31Å; D117-K119 HydrophobicContact CB-CD 3.92Å; D117-K119 HydrophobicContact CB-CG 4.05Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 VanDerWaalsContact O-N 3.07Å; D117-K119 IonicContact OD2-NZ 2.89Å; D117-K119 PolarHBondContact OD2-NZ 3.23Å
118D76.9Confident79.3Confident154 Ų15499.2 Ų99.282%0.82448%0.483SS*.THydrogen-bonded Turntrans53.125.5-174.1-130.14.5000113.5L114 E115 K116 L120L114-D118 PolarHBondContact O-N 3.08Å; E115-D118 PolarHBondContact O-N 3.35Å; K116-D118 PolarHBondContact O-N 3.45Å; D118-L120 VanDerWaalsContact C-N 3.35Å
119K77.6Confident79.9Confident137 Ų13799.2 Ų99.260%0.59648%0.477SS*.  trans-929-178.8-75.6173.5-168.4153.40113.1L114 D117 T121L114-K119 HydrophobicContact CD2-CB 4.17Å; L114-K119 PolarHBondContact O-N 3.39Å; D117-K119 HydrophobicContact CB-CB 4.31Å; D117-K119 HydrophobicContact CB-CD 3.92Å; D117-K119 HydrophobicContact CB-CG 4.05Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 VanDerWaalsContact O-N 3.07Å; D117-K119 IonicContact OD2-NZ 2.89Å; D117-K119 PolarHBondContact OD2-NZ 3.23Å; K119-T121 PolarHBondContact O-N 3.41Å
120L73Confident80.5Confident27 Ų2797.5 Ų97.514%0.14147%0.473CS..  trans-70.5123177.3-9696.3000110.6W111 L114 E115 D118 M124 I125W111-L120 HydrophobicContact CD2-CD2 4.48Å; W111-L120 HydrophobicContact CH2-CD2 3.59Å; W111-L120 HydrophobicContact CZ2-CD2 3.32Å; W111-L120 HydrophobicContact CZ3-CD2 4.31Å; L114-L120 HydrophobicContact CB-CD1 3.6Å; L114-L120 HydrophobicContact CB-CG 4.38Å; L114-L120 WeakPolarHBondContact O-CD1 3.41Å; E115-L120 HydrophobicContact CB-CD1 3.89Å; D118-L120 VanDerWaalsContact C-N 3.35Å; L120-M124 HydrophobicContact CD2-CB 4.26Å; L120-M124 HydrophobicContact CD2-CE 3.91Å; L120-M124 HydrophobicContact CG-CE 4.01Å; L120-I125 HydrophobicContact CB-CD1 4.08Å; L120-I125 HydrophobicContact CB-CG1 3.9Å; L120-I125 HydrophobicContact CD2-CG1 3.97Å
121T78.8Confident80.9Confident76 Ų7699.5 Ų99.547%0.46649%0.485SS..  trans-64144.917149.40000110.5K119 E123 M124 I125K119-T121 PolarHBondContact O-N 3.41Å; T121-E123 PolarHBondContact O-N 3.04Å; T121-E123 VanDerWaalsContact O-N 3.13Å; T121-M124 WeakPolarHBondContact O-CB 3.45Å; T121-M124 PolarHBondContact O-N 3.38Å; T121-I125 PolarHBondContact O-N 3.34Å
122P80.6Confident81.2Confident105 Ų105100.9 Ų100.968%0.68250%0.498SS*.Hα-helixtrans-59.3-29.5-178.522.3-32.9000112.3I125 N126P122-I125 PolarHBondContact O-N 3.39Å; P122-N126 WeakPolarHBondContact O-CB 3.28Å; P122-N126 PolarHBondContact O-N 3.47Å
123E82.2Confident81.8Confident141 Ų14195.1 Ų95.166%0.65948%0.484SS*.Hα-helixtrans-62.4-40.8173.1-72.8-162.6157.300113.2T121 N126 K127T121-E123 PolarHBondContact O-N 3.04Å; T121-E123 VanDerWaalsContact O-N 3.13Å; E123-N126 PolarHBondContact O-N 3.48Å; E123-K127 WeakPolarHBondContact O-CG 3.32Å; E123-K127 PolarHBondContact O-N 3.15Å
124M77.3Confident81.9Confident14 Ų1497.2 Ų97.27%0.06949%0.487CS..Hα-helixtrans-68.2-40.9178.3-80.6-174.837.300111.7P105 W111 L114 L120 T121 N126 K127 S128P105-M124 VanDerWaalsContact CD-SD 3.6Å; P105-M124 HydrophobicContact CG-CE 3.49Å; P105-M124 VanDerWaalsContact CG-CE 3.49Å; W111-M124 HydrophobicContact CE3-CE 3.89Å; W111-M124 HydrophobicContact CH2-CB 4.25Å; W111-M124 HydrophobicContact CH2-CE 3.9Å; W111-M124 HydrophobicContact CZ3-CE 3.39Å; L114-M124 HydrophobicContact CD1-CE 4.49Å; L120-M124 HydrophobicContact CD2-CB 4.26Å; L120-M124 HydrophobicContact CD2-CE 3.91Å; L120-M124 HydrophobicContact CG-CE 4.01Å; T121-M124 WeakPolarHBondContact O-CB 3.45Å; T121-M124 PolarHBondContact O-N 3.38Å; M124-N126 VanDerWaalsContact C-N 3.26Å; M124-N126 PolarHBondContact O-N 2.92Å; M124-K127 PolarHBondContact O-N 2.84Å; M124-S128 PolarHBondContact O-N 2.92Å
125I81.4Confident82.3Confident68 Ų6897.6 Ų97.635%0.34949%0.491SS..Hα-helixtrans-61.1-40.3174.6-60.5172.8000110.2L120 T121 P122 S128 K129L120-I125 HydrophobicContact CB-CD1 4.08Å; L120-I125 HydrophobicContact CB-CG1 3.9Å; L120-I125 HydrophobicContact CD2-CG1 3.97Å; T121-I125 PolarHBondContact O-N 3.34Å; P122-I125 PolarHBondContact O-N 3.39Å; I125-S128 PolarHBondContact O-N 2.91Å; I125-S128 PolarHBondContact O-OG 2.8Å; I125-K129 HydrophobicContact CG2-CD 4.36Å; I125-K129 WeakPolarHBondContact O-CG 3.44Å; I125-K129 PolarHBondContact O-N 3.47Å
126N85.5Confident82.8Confident95 Ų9597.9 Ų97.951%0.50849%0.493SS..Hα-helixtrans-70.9-35.6179.4-142.5-4.5000111.7P122 E123 M124 K130P122-N126 WeakPolarHBondContact O-CB 3.28Å; P122-N126 PolarHBondContact O-N 3.47Å; E123-N126 PolarHBondContact O-N 3.48Å; M124-N126 VanDerWaalsContact C-N 3.26Å; M124-N126 PolarHBondContact O-N 2.92Å; N126-K130 WeakPolarHBondContact O-CG 3Å; N126-K130 PolarHBondContact O-N 3.19Å; N126-K130 VanDerWaalsContact O-N 3.09Å
127K82.2Confident83Confident101 Ų10196.3 Ų96.344%0.43948%0.482SS..Hα-helixtrans-65.6-43.5172.5-80.7176.5176.8166.90112Q104 E123 M124 K130 L131Q104-K127 VanDerWaalsContact NE2-NZ 3.13Å; E123-K127 WeakPolarHBondContact O-CG 3.32Å; E123-K127 PolarHBondContact O-N 3.15Å; M124-K127 PolarHBondContact O-N 2.84Å; K127-K130 PolarHBondContact O-N 3.31Å; K127-L131 PolarHBondContact O-N 3.49Å
128S81.8Confident83Confident32 Ų3296.3 Ų96.322%0.22448%0.475CS..Hα-helixtrans-62.8-46.1177.565.10000111.2M124 I125 K130 L131 D132M124-S128 PolarHBondContact O-N 2.92Å; I125-S128 PolarHBondContact O-N 2.91Å; I125-S128 PolarHBondContact O-OG 2.8Å; S128-K130 VanDerWaalsContact C-N 3.31Å; S128-K130 PolarHBondContact O-N 3.1Å; S128-L131 CarbonylContact O-C 3.59Å; S128-L131 WeakPolarHBondContact O-CA 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.32Å; S128-L131 PolarHBondContact O-N 3.33Å; S128-D132 PolarHBondContact O-N 2.9Å
129K85.6Confident83.5Confident136 Ų13695.9 Ų95.959%0.59147%0.466SS*.Hα-helixtrans-57.3-41.6175.3-73.8179.1180-177.20113I125 L131 D132 A133I125-K129 HydrophobicContact CG2-CD 4.36Å; I125-K129 WeakPolarHBondContact O-CG 3.44Å; I125-K129 PolarHBondContact O-N 3.47Å; K129-L131 VanDerWaalsContact C-N 3.31Å; K129-D132 PolarHBondContact O-N 3.45Å; K129-A133 WeakPolarHBondContact O-CB 3.23Å; K129-A133 PolarHBondContact O-N 3.26Å
130K87.2Confident83.9Confident145 Ų14596.7 Ų96.763%0.6347%0.471SS*.Hα-helixtrans-64.6-37.3175.2-77178-178.4-179.50112.1N126 K127 S128 F134N126-K130 WeakPolarHBondContact O-CG 3Å; N126-K130 PolarHBondContact O-N 3.19Å; N126-K130 VanDerWaalsContact O-N 3.09Å; K127-K130 PolarHBondContact O-N 3.31Å; S128-K130 VanDerWaalsContact C-N 3.31Å; S128-K130 PolarHBondContact O-N 3.1Å; K130-F134 WeakPolarHBondContact O-CB 3.48Å; K130-F134 PolarHBondContact O-N 2.72Å
131L84.1Confident84.5Confident116 Ų116101.2 Ų101.261%0.60749%0.494SS*.Hα-helixtrans-68-45.6178-149.7111.3000110.8K127 S128 K129 A133 F134 V135K127-L131 PolarHBondContact O-N 3.49Å; S128-L131 CarbonylContact O-C 3.59Å; S128-L131 WeakPolarHBondContact O-CA 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.32Å; S128-L131 PolarHBondContact O-N 3.33Å; K129-L131 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.93Å; L131-F134 WeakPolarHBondContact O-CA 3.47Å; L131-F134 WeakPolarHBondContact O-CB 3.48Å; L131-F134 PolarHBondContact O-N 3.47Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.62Å
132D87.2Confident84.3Confident99 Ų99100.5 Ų100.553%0.52950%0.503SS..Hα-helixtrans-60.9-45.3176.5-67.1-28.7000110.9S128 K129 F134 V135 E136S128-D132 PolarHBondContact O-N 2.9Å; K129-D132 PolarHBondContact O-N 3.45Å; D132-F134 PolarHBondContact O-N 2.91Å; D132-V135 PolarHBondContact O-N 2.93Å; D132-E136 WeakPolarHBondContact O-CB 3.31Å; D132-E136 PolarHBondContact O-N 3.38Å
133A89.3Confident83.9Confident37 Ų37100.1 Ų100.131%0.30649%0.494SS..Hα-helixtrans-64.1-25.917500000113.4K129 L131 R137K129-A133 WeakPolarHBondContact O-CB 3.23Å; K129-A133 PolarHBondContact O-N 3.26Å; L131-A133 PolarHBondContact O-N 2.93Å; A133-R137 WeakPolarHBondContact O-CB 3.37Å; A133-R137 WeakPolarHBondContact O-CG 3.39Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 PolarHBondContact O-NE 3.5Å
134F86.1Confident82.7Confident123 Ų123100.4 Ų100.454%0.53950%0.5SS..Hα-helixtrans-75.8-44.4173.1177.2-94.2000111.2K130 L131 D132 E136 R137 R138K130-F134 WeakPolarHBondContact O-CB 3.48Å; K130-F134 PolarHBondContact O-N 2.72Å; L131-F134 WeakPolarHBondContact O-CA 3.47Å; L131-F134 WeakPolarHBondContact O-CB 3.48Å; L131-F134 PolarHBondContact O-N 3.47Å; D132-F134 PolarHBondContact O-N 2.91Å; F134-E136 VanDerWaalsContact C-N 3.34Å; F134-R137 PolarHBondContact O-N 2.77Å; F134-R138 HydrophobicContact CD1-CG 4.45Å; F134-R138 HydrophobicContact CE1-CG 4Å; F134-R138 HydrophobicContact CZ-CG 4.15Å; F134-R138 PolarHBondContact O-N 3.27Å
135V85.7Confident82.9Confident57 Ų57104.7 Ų104.735%0.34552%0.521SS..Hα-helixtrans-62.1-42.8175.9173.10000110.8L131 D132 R137 R138 K139L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.62Å; D132-V135 PolarHBondContact O-N 2.93Å; V135-R137 PolarHBondContact O-N 3.35Å; V135-R138 WeakPolarHBondContact O-CB 3.38Å; V135-R138 PolarHBondContact O-N 3.16Å; V135-K139 WeakPolarHBondContact O-CG 3.5Å; V135-K139 PolarHBondContact O-N 3.01Å
136E90.1Very high83Confident122 Ų122106.6 Ų106.657%0.5753%0.53SS*.Hα-helixtrans-65.9-39.4179-164.1165.7-158.100111.8D132 F134 R138 K139 Q140D132-E136 WeakPolarHBondContact O-CB 3.31Å; D132-E136 PolarHBondContact O-N 3.38Å; F134-E136 VanDerWaalsContact C-N 3.34Å; E136-R138 PolarHBondContact O-N 3.02Å; E136-K139 PolarHBondContact O-N 3.02Å; E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 3.06Å
137R87.6Confident82.9Confident147 Ų147107.3 Ų107.356%0.55553%0.532SS*.Hα-helixtrans-61.3-42.8171.3-83.3-177.1-81.9-162.7-3.4112.5A133 F134 V135 Q140 I141A133-R137 WeakPolarHBondContact O-CB 3.37Å; A133-R137 WeakPolarHBondContact O-CG 3.39Å; A133-R137 PolarHBondContact O-N 3.41Å; A133-R137 PolarHBondContact O-NE 3.5Å; F134-R137 PolarHBondContact O-N 2.77Å; V135-R137 PolarHBondContact O-N 3.35Å; R137-Q140 PolarHBondContact O-N 3.25Å; R137-I141 WeakPolarHBondContact O-CD1 3.46Å; R137-I141 VanDerWaalsContact O-CG1 3.24Å; R137-I141 WeakPolarHBondContact O-CG1 3.31Å; R137-I141 PolarHBondContact O-N 3.03Å
138R83.6Confident82.9Confident91 Ų91107.6 Ų107.634%0.34354%0.537SS..Hα-helixtrans-62.5-42176.1-79.3-106.6-62.9-162.61.1112.5F134 V135 E136 I141 G142 I143 D144F134-R138 HydrophobicContact CD1-CG 4.45Å; F134-R138 HydrophobicContact CE1-CG 4Å; F134-R138 HydrophobicContact CZ-CG 4.15Å; F134-R138 PolarHBondContact O-N 3.27Å; V135-R138 WeakPolarHBondContact O-CB 3.38Å; V135-R138 PolarHBondContact O-N 3.16Å; E136-R138 PolarHBondContact O-N 3.02Å; R138-I141 PolarHBondContact O-N 2.92Å; R138-G142 PolarHBondContact O-N 2.76Å; R138-I143 PolarHBondContact O-N 3.26Å; R138-D144 IonicContact CZ-OD1 3.69Å; R138-D144 IonicContact CZ-OD2 3.64Å; R138-D144 IonicContact NE-OD1 3.17Å; R138-D144 IonicContact NE-OD2 3.89Å; R138-D144 PolarHBondContact NE-OD2 3.16Å; R138-D144 IonicContact NH2-OD1 3.38Å; R138-D144 PolarHBondContact NH2-OD1 3.48Å; R138-D144 IonicContact NH2-OD2 2.78Å; R138-D144 PolarHBondContact NH2-OD2 3.09Å
139K86.6Confident83Confident145 Ų145112.4 Ų112.463%0.6356%0.557SS**Hα-helixtrans-60.3-43.6174.2-76.4-177.5177-178.30112.1V135 E136 I141 G142V135-K139 WeakPolarHBondContact O-CG 3.5Å; V135-K139 PolarHBondContact O-N 3.01Å; E136-K139 PolarHBondContact O-N 3.02Å; K139-I141 VanDerWaalsContact C-N 3.25Å; K139-I141 PolarHBondContact O-N 3.29Å; K139-G142 PolarHBondContact O-N 3.29Å; K139-G142 VanDerWaalsContact O-N 3.09Å
140Q86Confident82.8Confident153 Ų153110.8 Ų110.872%0.71555%0.554SS**Hα-helixtrans-64.3-29.8178.3-73.2177.90.900113.2E136 R137 G142E136-Q140 WeakPolarHBondContact O-CG 3.48Å; E136-Q140 PolarHBondContact O-N 3.06Å; R137-Q140 PolarHBondContact O-N 3.25Å; Q140-G142 VanDerWaalsContact C-N 3.3Å
141I86.2Confident82.5Confident122 Ų122108.4 Ų108.463%0.62655%0.549SS*.Hα-helixtrans-83.6-7.6177.7-56.7161.3000111.4R137 R138 K139 I143R137-I141 WeakPolarHBondContact O-CD1 3.46Å; R137-I141 VanDerWaalsContact O-CG1 3.24Å; R137-I141 WeakPolarHBondContact O-CG1 3.31Å; R137-I141 PolarHBondContact O-N 3.03Å; R138-I141 PolarHBondContact O-N 2.92Å; K139-I141 VanDerWaalsContact C-N 3.25Å; K139-I141 PolarHBondContact O-N 3.29Å; I141-I143 HydrophobicContact CB-CD1 4.11Å; I141-I143 HydrophobicContact CB-CG1 4.28Å; I141-I143 HydrophobicContact CG2-CD1 3.53Å; I141-I143 HydrophobicContact CG2-CG1 3.86Å
142G73.6Confident82.4Confident62 Ų62107.8 Ų107.864%0.63954%0.544SS*.THydrogen-bonded Turntrans72.626.2179.300000114.1R138 K139 Q140 D144R138-G142 PolarHBondContact O-N 2.76Å; K139-G142 PolarHBondContact O-N 3.29Å; K139-G142 VanDerWaalsContact O-N 3.09Å; Q140-G142 VanDerWaalsContact C-N 3.3Å; G142-D144 VanDerWaalsContact C-N 3.34Å
143I73.6Confident82Confident96 Ų96108.5 Ų108.549%0.49255%0.546SS..  trans-88-6.4-179.1-65.2172.6000111.9R138 I141R138-I143 PolarHBondContact O-N 3.26Å; I141-I143 HydrophobicContact CB-CD1 4.11Å; I141-I143 HydrophobicContact CB-CG1 4.28Å; I141-I143 HydrophobicContact CG2-CD1 3.53Å; I141-I143 HydrophobicContact CG2-CG1 3.86Å
144D55.5Low81.3Confident147 Ų147115 Ų11579%0.78657%0.567SS**  trans-126.40174.8-66.9-51000111R138 G142R138-D144 IonicContact CZ-OD1 3.69Å; R138-D144 IonicContact CZ-OD2 3.64Å; R138-D144 IonicContact NE-OD1 3.17Å; R138-D144 IonicContact NE-OD2 3.89Å; R138-D144 PolarHBondContact NE-OD2 3.16Å; R138-D144 IonicContact NH2-OD1 3.38Å; R138-D144 PolarHBondContact NH2-OD1 3.48Å; R138-D144 IonicContact NH2-OD2 2.78Å; R138-D144 PolarHBondContact NH2-OD2 3.09Å; G142-D144 VanDerWaalsContact C-N 3.34Å

Retrieved 144 of 144 residues in 35.3 ms (Link to these results)