A0A077ZE06_TRITR Loading...

Sp5 transcription factor

AlphaFold DB , UniProt , Accession A0A077ZE06, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 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
1M36.5Very low33.4Very low247 Ų247153.3 Ų153.3100%1.21785%0.85SS**  0114.50-71170.7174.900107.2
2M27.7Very low33.1Very low182 Ų182156.2 Ų156.290%0.89785%0.848SS**  trans-57.6154.5172.6-80.785.2150.100110.8
3L35.7Very low33.3Very low160 Ų160153.8 Ų153.884%0.83885%0.845SS**  trans164.3105.5137-84.1161.7000106.7
4K34.3Very low33.3Very low171 Ų171151.4 Ų151.474%0.74384%0.838SS**  111.4109.667.2-152.9118.5172.5-179.50107.1
5Q31.3Very low33Very low198 Ų198148.2 Ų148.293%0.92584%0.838SS**  trans-92.6115.4169.1-77.4-179.2-26.800107.7
6D35.9Very low33Very low141 Ų141145.6 Ų145.675%0.75483%0.832SS**  trans-112.8126.5159.4-57.3-57.8000104.3
7G29.1Very low33.1Very low74 Ų74145 Ų14576%0.76383%0.833SS**  cis111.497.532.900000107.7
8S36.9Very low32.8Very low112 Ų112141.8 Ų141.878%0.78384%0.836SS**  trans-178.395149.461.80000112.2
9D33.5Very low32.7Very low149 Ų149138 Ų13880%0.79783%0.83SS**  47.5107.3128.6-66.1-56.7000123.3
10S32.4Very low32.8Very low107 Ų107141.5 Ų141.575%0.74883%0.834SS**  34.9108.2110.2-63.30000119.1
11T34.8Very low32.8Very low145 Ų145140.7 Ų140.789%0.8983%0.832SS**  -150.8113.4129.427.10000109.5
12K29.3Very low32.6Very low188 Ų188136.8 Ų136.882%0.81782%0.816SS**PPolyproline II helixtrans-86.6122.9172.8179-173.2-175.2-172.70108.2T14K12-T14 PolarHBondContact O-N 3.08Å
13P35.3Very low32.7Very low125 Ų125138.1 Ų138.181%0.81282%0.817SS**PPolyproline II helixtrans-82.2118167.530.1-27.7000109.3
14T34.1Very low32.4Very low121 Ų121141.3 Ų141.374%0.74282%0.818SS**PPolyproline II helixtrans-65.1148.5166.545.10000111.1K12K12-T14 PolarHBondContact O-N 3.08Å
15A28.9Very low32.3Very low103 Ų103138.8 Ų138.885%0.85182%0.819SS**PPolyproline II helixtrans-59.7132.9178.100000112.6
16S33.1Very low32.2Very low106 Ų106137.6 Ų137.674%0.74181%0.806SS**  trans-141.7117.3149.378.20000110.3
17T33.7Very low31.9Very low136 Ų136136.7 Ų136.783%0.83481%0.809SS**  trans22.2119.9139.441.40000119.4
18G28.7Very low32Very low87 Ų87139 Ų13990%0.89780%0.804SS**  trans84.179.7135.300000116.8
19G31.3Very low31.8Very low70 Ų70136.6 Ų136.672%0.72279%0.791SS**  trans178.8115.3166.600000112
20K34.2Very low32Very low208 Ų208136.6 Ų136.690%0.90479%0.787SS**  trans-56.8125.9-179.9-60.7167.9-178.5-178.40110L22K20-L22 PolarHBondContact O-N 2.77Å; K20-L22 VanDerWaalsContact O-N 3.14Å
21P32.7Very low32.4Very low124 Ų124133.5 Ų133.581%0.80576%0.763SS**  trans-74110.2175.627.6-31.1000110.2F23P21-F23 PolarHBondContact O-N 3.44Å
22L32.2Very low32.5Very low166 Ų166130.1 Ų130.187%0.86974%0.743SS**  trans-57.1119.9162.1-97.6149.1000108.9K20 R24K20-L22 PolarHBondContact O-N 2.77Å; K20-L22 VanDerWaalsContact O-N 3.14Å; L22-R24 PolarHBondContact O-N 3.11Å
23F30Very low32.7Very low210 Ų210123.4 Ų123.492%0.92172%0.717SS**  trans-55.3104.4173.2-108-99.2000110.1P21P21-F23 PolarHBondContact O-N 3.44Å
24R29.6Very low32.7Very low227 Ų227121.6 Ų121.686%0.85770%0.704SS**  trans-76.5129.2165.8-72.8168.774.3-143.35.8108.7L22L22-R24 PolarHBondContact O-N 3.11Å
25P30.8Very low32.9Very low118 Ų118119.1 Ų119.177%0.76669%0.688SS**  trans-81.4141.1-178.632.8-30.8000110.7
26W29Very low33.1Very low172 Ų172118.2 Ų118.265%0.65268%0.68SS**  trans36.9105.3159.3-72.7-0.3000118.1A50W26-A50 HydrophobicContact CE3-CB 4.04Å; W26-A50 HydrophobicContact CZ3-CB 3.91Å
27C31.5Very low33.2Very low122 Ų122115 Ų11582%0.82467%0.665SS**  trans-86.9120158.1-69.50000108.9A29C27-A29 PolarHBondContact O-N 3.44Å
28D30.5Very low33.4Very low123 Ų123116.6 Ų116.666%0.65867%0.668SS**  trans-55.7121156.9-61.7-71.1000108.5
29A33.3Very low34.2Very low62 Ų62120.2 Ų120.251%0.51267%0.667SS.*  trans-10990.3172.500000107.7C27C27-A29 PolarHBondContact O-N 3.44Å
30E37.3Very low34.6Very low149 Ų149124.6 Ų124.670%0.69667%0.668SS**  trans-73.5128.9168.4-57.2-176.1127.200108.3
31T40.1Very low34.6Very low41 Ų41119.9 Ų119.925%0.25266%0.657SS.*EExtended strand (participates in β ladder)trans-115.9110.1174.7-51.20000109V33 V46 L59T31-V33 HydrophobicContact CG2-CG2 4.4Å; T31-V46 PolarHBondContact O-N 3.06Å; T31-V46 VanDerWaalsContact O-N 3.16Å; T31-L59 HydrophobicContact CG2-CD2 4.02Å; T31-L59 WeakPolarHBondContact OG1-CD2 3.27Å
32T36.7Very low34.9Very low75 Ų75117.5 Ų117.546%0.4664%0.643SS.*EExtended strand (participates in β ladder)trans-88.4118.1169.448.20000108.8T45T32-T45 HydrophobicContact CG2-CG2 4Å
33V34.1Very low35.1Very low47 Ų47116.5 Ų116.529%0.28563%0.632SS.*EExtended strand (participates in β ladder)trans-99.1116.6168.7-178.50000107.2T31 V35 L44T31-V33 HydrophobicContact CG2-CG2 4.4Å; V33-V35 HydrophobicContact CG1-CG2 4.26Å; V33-L44 PolarHBondContact N-O 2.82Å; V33-L44 PolarHBondContact O-N 2.91Å; V33-L44 VanDerWaalsContact O-O 3.06Å
34V35.9Very low35.2Very low87 Ų87111.5 Ų111.553%0.52761%0.614SS.*EExtended strand (participates in β ladder)trans-90.5114172.4-176.70000106.9K43V34-K43 HydrophobicContact CG2-CG 4.32Å
35V36.6Very low35.4Very low68 Ų68104.4 Ų104.441%0.41260%0.596SS.*EExtended strand (participates in β ladder)trans-94109.5170.4-176.50000106.6V33 S42 L44V33-V35 HydrophobicContact CG1-CG2 4.26Å; V35-S42 PolarHBondContact N-O 3.48Å; V35-L44 HydrophobicContact CG2-CD1 4.43Å
36A34Very low35.7Very low84 Ų84101.8 Ų101.869%0.69458%0.578SS**EExtended strand (participates in β ladder)trans-86.2106.9170.600000108
37G34.4Very low35.9Very low40 Ų4097.6 Ų97.641%0.41258%0.575SS.*EExtended strand (participates in β ladder)trans-105.9142.2158.500000107.8D39 Q40G37-D39 PolarHBondContact O-N 2.81Å; G37-Q40 PolarHBondContact O-N 3.14Å; G37-Q40 VanDerWaalsContact O-N 3.14Å
38D39.6Very low36.2Very low169 Ų16998.1 Ų98.190%0.90456%0.561SS**THydrogen-bonded Turntrans-52.4-10-156.4-73.9-71.5000118.3
39D44.2Very low36.2Very low162 Ų16295.5 Ų95.587%0.86656%0.562SS**THydrogen-bonded Turntrans-136.71.3175.8-72.4-53.8000116.4G37G37-D39 PolarHBondContact O-N 2.81Å
40Q39.7Very low36.2Very low162 Ų16295.6 Ų95.676%0.75756%0.563SS**EExtended strand (participates in β ladder)trans-151.8119168.7-71-157.1-0.500112.3G37 S42G37-Q40 PolarHBondContact O-N 3.14Å; G37-Q40 VanDerWaalsContact O-N 3.14Å; Q40-S42 PolarHBondContact O-N 3.01Å; Q40-S42 VanDerWaalsContact O-N 3.11Å
41T34.9Very low36.2Very low110 Ų11090.7 Ų90.768%0.67555%0.553SS**EExtended strand (participates in β ladder)trans-76.594.4173.145.50000110.4K43T41-K43 PolarHBondContact O-N 3.43Å
42S38.8Very low36.3Very low73 Ų7394.6 Ų94.651%0.5157%0.568SS.*EExtended strand (participates in β ladder)trans-84111170.4-70.30000109.8V35 Q40 L44V35-S42 PolarHBondContact N-O 3.48Å; Q40-S42 PolarHBondContact O-N 3.01Å; Q40-S42 VanDerWaalsContact O-N 3.11Å; S42-L44 PolarHBondContact O-N 3.02Å
43K35.7Very low36.5Very low146 Ų146100.6 Ų100.664%0.63559%0.591SS**EExtended strand (participates in β ladder)trans-82.7107.7178.6-159.8172.7-171.3179.90109.2V34 T41V34-K43 HydrophobicContact CG2-CG 4.32Å; T41-K43 PolarHBondContact O-N 3.43Å
44L33.5Very low37Very low104 Ų104101 Ų10155%0.54559%0.593SS.*EExtended strand (participates in β ladder)trans-93.3107.9173.7-92.2149.3000108.9V33 V35 S42V33-L44 PolarHBondContact N-O 2.82Å; V33-L44 PolarHBondContact O-N 2.91Å; V33-L44 VanDerWaalsContact O-O 3.06Å; V35-L44 HydrophobicContact CG2-CD1 4.43Å; S42-L44 PolarHBondContact O-N 3.02Å
45T33.7Very low36.9Very low78 Ų7898.7 Ų98.748%0.47959%0.587SS.*EExtended strand (participates in β ladder)trans-92.4117.2172.7-52.10000108.7T32T32-T45 HydrophobicContact CG2-CG2 4Å
46V36.6Very low36.9Very low63 Ų63106.5 Ų106.538%0.38261%0.609SS.*EExtended strand (participates in β ladder)trans-104.2104.6171.8-175.60000108T31 Y48T31-V46 PolarHBondContact O-N 3.06Å; T31-V46 VanDerWaalsContact O-N 3.16Å; V46-Y48 HydrophobicContact CB-CE2 4.36Å; V46-Y48 HydrophobicContact CG1-CD2 4.06Å; V46-Y48 HydrophobicContact CG1-CE2 3.5Å; V46-Y48 VanDerWaalsContact CG1-CE2 3.5Å
47S33.2Very low37.1Very low85 Ų85110.6 Ų110.659%0.59461%0.614SS**PPolyproline II helixtrans-89.1117.8173.8-60.60000109.5
48Y37.5Very low37.4Very low133 Ų133112.6 Ų112.652%0.52261%0.612SS.*PPolyproline II helixtrans-91.4123.9169.1-71.4-89.5000109.1V46V46-Y48 HydrophobicContact CB-CE2 4.36Å; V46-Y48 HydrophobicContact CG1-CD2 4.06Å; V46-Y48 HydrophobicContact CG1-CE2 3.5Å; V46-Y48 VanDerWaalsContact CG1-CE2 3.5Å
49G31.2Very low37.5Very low67 Ų67107.6 Ų107.669%0.69159%0.585SS**PPolyproline II helixtrans-60.9140.417800000112.8G51G49-G51 PolarHBondContact O-N 3.04Å
50A33Very low37.2Very low64 Ų64103.2 Ų103.253%0.52957%0.571SS.*THydrogen-bonded Turntrans-51.7116.1-178.800000112.4W26W26-A50 HydrophobicContact CE3-CB 4.04Å; W26-A50 HydrophobicContact CZ3-CB 3.91Å
51G37.3Very low37.1Very low46 Ų4697.9 Ų97.947%0.47456%0.555SS.*THydrogen-bonded Turntrans154.6-11.9177.600000115.7G49G49-G51 PolarHBondContact O-N 3.04Å
52H41.1Very low37.4Very low123 Ų12395.1 Ų95.157%0.56954%0.543SS*.  trans-97.8121.3-171.5-118.8-98.3000112.6V54H52-V54 HydrophobicContact CB-CG2 3.72Å; H52-V54 PolarHBondContact O-N 3.16Å
53Q42.1Very low37.3Very low201 Ų20194.2 Ų94.294%0.93954%0.54SS*.  trans-72.674.4162.5-81.5-112.5-28.300108.6G55Q53-G55 PolarHBondContact O-N 3.48Å
54V44.1Very low37.5Very low56 Ų5690.6 Ų90.634%0.33954%0.537SS..  trans-80.798.1169-167.20000106.4H52 R56 H58 L59H52-V54 HydrophobicContact CB-CG2 3.72Å; H52-V54 PolarHBondContact O-N 3.16Å; V54-R56 PolarHBondContact O-N 3.43Å; V54-H58 HydrophobicContact CG1-CB 3.37Å; V54-L59 HydrophobicContact CG1-CG 4.31Å
55G34.3Very low38Very low39 Ų3990.8 Ų90.840%0.40255%0.547SS..  trans-53.5140.6167.800000109.2Q53 H57 H58Q53-G55 PolarHBondContact O-N 3.48Å; G55-H57 PolarHBondContact O-N 3.01Å; G55-H58 PolarHBondContact O-N 3.48Å
56R36.7Very low38.4Very low232 Ų23293.4 Ų93.488%0.87556%0.557SS**Hα-helixtrans-46.6-22.4-176.9-79.1179.1169.3178.4-5.2114.9V54V54-R56 PolarHBondContact O-N 3.43Å
57H38.7Very low38.6Very low170 Ų17096.5 Ų96.579%0.78758%0.576SS**Hα-helixtrans-73.9-22.6176.2-65.9-80.2000115G55G55-H57 PolarHBondContact O-N 3.01Å
58H40.2Very low38.6Very low82 Ų8295.7 Ų95.738%0.3858%0.581SS.*Hα-helixtrans-81.7-22.9179.8-71.2-66.8000113.3V54 G55 A60 F271V54-H58 HydrophobicContact CG1-CB 3.37Å; G55-H58 PolarHBondContact O-N 3.48Å; H58-A60 VanDerWaalsContact C-N 3.32Å; H58-F271 AromaticContact CE1-CD1 3.59Å; H58-F271 AromaticContact CE1-CG 3.5Å; H58-F271 VanDerWaalsContact CE1-CG 3.5Å; H58-F271 WeakPolarHBondContact CE1-CG 3.48Å; H58-F271 AromaticContact ND1-CD1 3.98Å
59L40.7Very low38.5Very low64 Ų6498.1 Ų98.134%0.33560%0.602SS.*Hα-helixtrans-69.4-28.6175.6-94.7153.1000112.8T31 V54T31-L59 HydrophobicContact CG2-CD2 4.02Å; T31-L59 WeakPolarHBondContact OG1-CD2 3.27Å; V54-L59 HydrophobicContact CG1-CG 4.31Å
60A38.9Very low38.5Very low70 Ų7098.9 Ų98.958%0.57961%0.61SS**Hα-helixtrans-79.7-30.7178.300000113.5H58H58-A60 VanDerWaalsContact C-N 3.32Å
61A38.1Very low38.6Very low49 Ų49102.8 Ų102.841%0.40562%0.622SS.*Hα-helixtrans-76.8-28.9-175.500000113.7A63 A64 S65A61-A63 VanDerWaalsContact C-N 3.32Å; A61-A63 PolarHBondContact O-N 3.02Å; A61-A64 PolarHBondContact O-N 3.45Å; A61-S65 PolarHBondContact O-OG 3.2Å
62A39.5Very low38.4Very low53 Ų53109 Ų10944%0.43864%0.638SS.*Hα-helixtrans-71.1-26.5177.900000113
63A37.8Very low37.9Very low53 Ų53106.3 Ų106.344%0.43864%0.644SS.*Hα-helixtrans-78-26.2176.400000112.9A61A61-A63 VanDerWaalsContact C-N 3.32Å; A61-A63 PolarHBondContact O-N 3.02Å
64A39.4Very low37.5Very low70 Ų70102.4 Ų102.458%0.57964%0.639SS**Hα-helixtrans-85-16.7-173.500000114.6A61 I66A61-A64 PolarHBondContact O-N 3.45Å; A64-I66 PolarHBondContact O-N 3.34Å
65S44.4Very low36.7Very low108 Ų108106.4 Ų106.476%0.75566%0.663SS**THydrogen-bonded Turntrans-88.71.6-172.5-56.10000114.7A61A61-S65 PolarHBondContact O-OG 3.2Å
66I42.3Very low36.7Very low133 Ų133109.9 Ų109.968%0.68268%0.679SS**THydrogen-bonded Turntrans-100.7-10.1-180-56.2175.6000111.4A64A64-I66 PolarHBondContact O-N 3.34Å
67V39.8Very low36.5Very low129 Ų129104.7 Ų104.778%0.78267%0.673SS**SBendtrans-112.888.4-177.3-174.10000108.7
68G33.3Very low36.1Very low67 Ų67101.6 Ų101.669%0.69168%0.677SS**  trans-175.934.5-177.400000116.4
69L36.3Very low35.7Very low185 Ų185108.9 Ų108.997%0.96970%0.701SS**  trans-150.2108.4166.4-76.6172.8000108
70G31.6Very low35.2Very low83 Ų83113.8 Ų113.886%0.85672%0.722SS**  trans166.267.817600000113.3
71D33.7Very low34.7Very low146 Ų146118.4 Ų118.478%0.78174%0.736SS**  trans-136.6148.6153.1-151.9-68.9000107
72Q33.9Very low34.4Very low175 Ų175126.7 Ų126.782%0.81876%0.757SS**SBendtrans85.3106.1-166.5-47.2-64.5-13.700115.3
73G31.4Very low34.2Very low68 Ų68129.8 Ų129.870%0.70177%0.766SS**  trans-73.1-167.9-179.500000115.7
74S32Very low34Very low118 Ų118131.1 Ų131.183%0.82577%0.77SS**  trans89.9113.3-171.581.10000114.3
75V28.1Very low34Very low140 Ų140133 Ų13385%0.84879%0.785SS**  trans-65137.5177.61760000109.8
76P33.7Very low33.5Very low112 Ų112132.4 Ų132.473%0.72777%0.774SS**  trans-131.4115.813232.2-19.7000111.7
77T33.5Very low33.5Very low123 Ų123130.2 Ų130.276%0.75577%0.768SS**  trans10.4120.81385.90000117.3R79T77-R79 PolarHBondContact O-N 3.38Å; T77-R79 VanDerWaalsContact O-N 3.08Å
78A29Very low33.4Very low106 Ų106127.2 Ų127.288%0.87676%0.757SS**  trans-391.9159.600000116.3
79R32.4Very low33.8Very low234 Ų234128.7 Ų128.788%0.88375%0.748SS**  trans-147.5106.6156.6-105.7-179.6172.3-174.7-2.5109.4T77 L81T77-R79 PolarHBondContact O-N 3.38Å; T77-R79 VanDerWaalsContact O-N 3.08Å; R79-L81 PolarHBondContact O-N 3.4Å
80Q30.5Very low33.9Very low168 Ų168124.1 Ų124.179%0.78572%0.724SS**  trans29.192.9145.3-69.2-98.7-20.400114.7R82Q80-R82 PolarHBondContact O-N 2.99Å
81L28.8Very low34.3Very low166 Ų166126 Ų12687%0.86971%0.709SS**  trans-69.484.3160.1-130.688000107.4R79 L83R79-L81 PolarHBondContact O-N 3.4Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.15Å
82R31.4Very low34.7Very low223 Ų223129.4 Ų129.484%0.84271%0.711SS**  trans-61.7101.4160.3-89.1-179.8176.3161.7-1.7105.9Q80Q80-R82 PolarHBondContact O-N 2.99Å
83L36.2Very low35.2Very low118 Ų118127.6 Ų127.662%0.61871%0.706SS**  trans-53.2140.3158.5-82.790.3000107.3L81 A85 L90L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.15Å; L83-A85 PolarHBondContact O-N 3.4Å; L83-L90 HydrophobicContact CD2-CD2 4.28Å
84P32.1Very low35.8Very low82 Ų82131.2 Ų131.253%0.53270%0.703SS.*  trans-53.6123.4178.522.6-31.9000108.1D86P84-D86 PolarHBondContact O-N 3.31Å
85A39.4Very low36.5Very low108 Ų108129.3 Ų129.389%0.89369%0.688SS**SBendtrans-6822177.400000112.5L83 P87L83-A85 PolarHBondContact O-N 3.4Å; A85-P87 VanDerWaalsContact O-CD 3.27Å; A85-P87 WeakPolarHBondContact O-CD 3.33Å
86D33.8Very low37.2Very low97 Ų97128.1 Ų128.152%0.51967%0.674SS.*  trans-98.9100.8-176.9-132.5-35.8000108.6P84 A88 L89P84-D86 PolarHBondContact O-N 3.31Å; D86-A88 PolarHBondContact O-N 3.37Å; D86-L89 PolarHBondContact O-N 3.37Å
87P42.9Very low37.5Very low87 Ų87125.9 Ų125.957%0.56567%0.665SS**Hα-helixtrans-57.6-24.7-175.522.1-32.1000112.1A85 L89 L90 F91A85-P87 VanDerWaalsContact O-CD 3.27Å; A85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-L89 VanDerWaalsContact C-N 3.34Å; P87-L89 PolarHBondContact O-N 3.5Å; P87-L90 PolarHBondContact O-N 3.09Å; P87-F91 WeakPolarHBondContact O-CD2 3Å; P87-F91 PolarHBondContact O-N 3.42Å
88A38.3Very low37.6Very low65 Ų65122.5 Ų122.554%0.53765%0.65SS.*Hα-helixtrans-64.3-28.9-17900000114.8D86D86-A88 PolarHBondContact O-N 3.37Å
89L41.9Very low38.3Very low99 Ų99123.2 Ų123.252%0.51864%0.643SS.*Hα-helixtrans-85.2-31.3179.8-75.3179.7000113.1D86 P87 F91 R92D86-L89 PolarHBondContact O-N 3.37Å; P87-L89 VanDerWaalsContact C-N 3.34Å; P87-L89 PolarHBondContact O-N 3.5Å; L89-F91 VanDerWaalsContact C-N 3.26Å; L89-F91 PolarHBondContact O-N 3.48Å; L89-R92 PolarHBondContact O-N 3.46Å; L89-R92 VanDerWaalsContact O-N 3.15Å
90L37.9Very low38.6Very low89 Ų89118.6 Ų118.647%0.46663%0.633SS.*Hα-helixtrans-63.9-33.4172.4-75.4171.3000111.8L83 P87 R92 L93 F94L83-L90 HydrophobicContact CD2-CD2 4.28Å; P87-L90 PolarHBondContact O-N 3.09Å; L90-R92 PolarHBondContact O-N 3.46Å; L90-L93 PolarHBondContact O-N 3.3Å; L90-F94 PolarHBondContact O-N 2.97Å
91F40.1Very low38.7Very low122 Ų122113.7 Ų113.754%0.53563%0.628SS.*Hα-helixtrans-64.5-23.7174.5-96.5-91.1000114.2P87 L89 A98P87-F91 WeakPolarHBondContact O-CD2 3Å; P87-F91 PolarHBondContact O-N 3.42Å; L89-F91 VanDerWaalsContact C-N 3.26Å; L89-F91 PolarHBondContact O-N 3.48Å; F91-A98 HydrophobicContact CD1-CB 4.34Å; F91-A98 HydrophobicContact CE1-CB 3.31Å; F91-A98 HydrophobicContact CE2-CB 4.17Å; F91-A98 HydrophobicContact CZ-CB 3.22Å
92R42.8Very low39.1Very low218 Ų218110.8 Ų110.882%0.82363%0.628SS**Hα-helixtrans-86.5-25.2179-74-155.1164.9167.9-0.2114.2L89 L90L89-R92 PolarHBondContact O-N 3.46Å; L89-R92 VanDerWaalsContact O-N 3.15Å; L90-R92 PolarHBondContact O-N 3.46Å
93L43.3Very low39.2Very low136 Ų136104 Ų10471%0.71263%0.627SS**Hα-helixtrans-93.6-29.3177.4-69.2166.3000112.2L90L90-L93 PolarHBondContact O-N 3.3Å
94F44.1Very low39.1Very low145 Ų145101.3 Ų101.364%0.63663%0.628SS**  trans-139.678.5-176.9-73.1-88.6000111.9L90 M96 A97L90-F94 PolarHBondContact O-N 2.97Å; F94-M96 PolarHBondContact O-N 3.18Å; F94-A97 PolarHBondContact O-N 2.84Å
95P45.8Very low39.1Very low78 Ų78104.5 Ų104.551%0.50663%0.63SS.*THydrogen-bonded Turntrans-67.9-1.3-179.827.2-34.2000114.3
96M43Very low38.9Very low114 Ų114108.4 Ų108.456%0.56263%0.63SS**THydrogen-bonded Turntrans-99.6-6.8179.5-69.3-67.1139.100114.3F94 A98 W269F94-M96 PolarHBondContact O-N 3.18Å; M96-A98 VanDerWaalsContact C-N 3.29Å; M96-A98 PolarHBondContact O-N 3.44Å; M96-W269 HydrophobicContact CE-CD2 4.46Å; M96-W269 HydrophobicContact CE-CE3 3.77Å; M96-W269 HydrophobicContact CE-CH2 3.22Å; M96-W269 HydrophobicContact CE-CZ2 3.96Å; M96-W269 HydrophobicContact CE-CZ3 3.11Å; M96-W269 HydrophobicContact SD-CH2 3.66Å; M96-W269 HydrophobicContact SD-CZ3 3.99Å
97A39.8Very low38.9Very low65 Ų65114.9 Ų114.954%0.53765%0.647SS.*G310 helixtrans-75.8-16.4-178.900000113.6F94 V99F94-A97 PolarHBondContact O-N 2.84Å; A97-V99 PolarHBondContact O-N 2.81Å
98A36.4Very low38.3Very low52 Ų52119 Ų11943%0.4366%0.663SS.*G310 helixtrans-89.53.8-169.800000116F91 M96F91-A98 HydrophobicContact CD1-CB 4.34Å; F91-A98 HydrophobicContact CE1-CB 3.31Å; F91-A98 HydrophobicContact CE2-CB 4.17Å; F91-A98 HydrophobicContact CZ-CB 3.22Å; M96-A98 VanDerWaalsContact C-N 3.29Å; M96-A98 PolarHBondContact O-N 3.44Å
99V43.9Very low37.9Very low122 Ų122124.1 Ų124.174%0.73968%0.681SS**G310 helixtrans-100.61.1176.9176.80000112.5A97 G101A97-V99 PolarHBondContact O-N 2.81Å; V99-G101 PolarHBondContact O-N 2.97Å
100M38.6Very low37.5Very low136 Ų136125.8 Ų125.867%0.6770%0.696SS**SBendtrans-95.195.1164.9-77.2-153.1-70.800109A102 Y105M100-A102 PolarHBondContact O-N 3.25Å; M100-Y105 WeakPolarHBondContact CB-OH 2.94Å; M100-Y105 HydrophobicContact CE-CE1 4.22Å; M100-Y105 PolarHBondContact O-OH 3.1Å; M100-Y105 VanDerWaalsContact O-OH 3.09Å
101G32.7Very low37.3Very low65 Ų65128.1 Ų128.167%0.6771%0.713SS**  trans-45.5137.1171.500000111.3V99 G103V99-G101 PolarHBondContact O-N 2.97Å; G101-G103 PolarHBondContact O-N 3.32Å
102A36.5Very low36.9Very low106 Ų106126.7 Ų126.788%0.87672%0.724SS**SBendtrans-50108.1176.400000110.3M100M100-A102 PolarHBondContact O-N 3.25Å
103G34.1Very low36.5Very low79 Ų79121.5 Ų121.581%0.81472%0.719SS**SBendtrans176.6-6-179.600000117.6G101G101-G103 PolarHBondContact O-N 3.32Å
104G34.3Very low36.1Very low62 Ų62120.9 Ų120.964%0.63972%0.721SS**  trans-130.2-3.4-173.400000117.5Q106G104-Q106 VanDerWaalsContact C-N 3.33Å; G104-Q106 PolarHBondContact O-N 2.9Å
105Y32.2Very low35.6Very low150 Ų150120.4 Ų120.459%0.58873%0.73SS**THydrogen-bonded Turntrans-88.760.6-169.7-48.6-82.6000112.4M100M100-Y105 WeakPolarHBondContact CB-OH 2.94Å; M100-Y105 HydrophobicContact CE-CE1 4.22Å; M100-Y105 PolarHBondContact O-OH 3.1Å; M100-Y105 VanDerWaalsContact O-OH 3.09Å
106Q34.6Very low35Very low190 Ų190122.7 Ų122.789%0.88875%0.745SS**THydrogen-bonded Turntrans-141.918.5175-140.8159.818.500115.5G104G104-Q106 VanDerWaalsContact C-N 3.33Å; G104-Q106 PolarHBondContact O-N 2.9Å
107R33.5Very low34.4Very low232 Ų232123.6 Ų123.688%0.87576%0.757SS**SBendtrans-138.4149.2165.2-72.6-166.6167.6-151.2-2.9108.1
108L30.3Very low33.9Very low173 Ų173127 Ų12791%0.90677%0.772SS**  trans97.544-174.8-47.4175.2000114.9
109L29.9Very low33.7Very low173 Ų173131 Ų13191%0.90679%0.79SS**  trans-129.376.5148.2-90158.6000106.7
110T34.4Very low33Very low135 Ų135131.6 Ų131.683%0.82880%0.795SS**SBendtrans-162.3122.7160.518.20000108.8
111T33.6Very low32.7Very low137 Ų137132 Ų13284%0.8480%0.799SS**  trans-48.4139.317544.30000113
112A31.3Very low32.5Very low92 Ų92136.2 Ų136.276%0.7681%0.807SS**  trans-58.4163.4171.100000111.2
113P34.9Very low32.6Very low110 Ų110136.3 Ų136.371%0.71480%0.801SS**  -150.4160.466.534.3-11.3000118.3
114T35.2Very low32.4Very low123 Ų123140.9 Ų140.976%0.75581%0.807SS**  trans73.5125.2144.6530000123
115T32.7Very low32.2Very low134 Ų134141.3 Ų141.382%0.82281%0.811SS**  trans104.3122.2152.366.90000117.9
116P32.5Very low32.2Very low127 Ų127139 Ų13983%0.82582%0.823SS**  trans-97.2130.9175.935.6-27.2000111
117T31.3Very low31.7Very low132 Ų132140.2 Ų140.281%0.8183%0.826SS**  trans-120.1118.616140.10000109.5
118T29.1Very low31.8Very low138 Ų138133.1 Ų133.185%0.84782%0.816SS**  trans-47.6133.1167.142.90000112.2
119T31.5Very low31.9Very low134 Ų134132.5 Ų132.582%0.82281%0.814SS**  trans-144118.3153.6-9.80000109
120T29.2Very low31.9Very low136 Ų136133.6 Ų133.683%0.83481%0.812SS**  trans-76.2131.9170.8480000109.7
121N32.1Very low32.1Very low143 Ų143133.4 Ų133.477%0.76581%0.811SS**  trans-149.6107.8151.152.8-8000110.1
122N28.7Very low32.2Very low155 Ų155135.1 Ų135.183%0.82981%0.806SS**  trans-70.2138.4153.756.2-6.4000108.6
123S38.1Very low32.5Very low108 Ų108135.5 Ų135.576%0.75580%0.801SS**  trans-167.1119144.310.30000108.1G125S123-G125 PolarHBondContact O-N 3.24Å
124N30.2Very low32.7Very low175 Ų175136.1 Ų136.194%0.93681%0.805SS**  trans-51.5131.1161.3-63.1-42.4000109
125G30.6Very low32.7Very low71 Ų71132.8 Ų132.873%0.73279%0.787SS**  trans-167.5104.3-179.900000112.9S123S123-G125 PolarHBondContact O-N 3.24Å
126A31.8Very low33.5Very low101 Ų101131.2 Ų131.284%0.83578%0.779SS**  trans65.6107.3149.700000119.3A128A126-A128 PolarHBondContact O-N 3.47Å
127F25.6Very low34Very low216 Ų216134 Ų13495%0.94777%0.774SS**  trans-45.8115.1151.6-86.1-108.8000111.4
128A34.8Very low34.1Very low82 Ų82134.4 Ų134.468%0.67877%0.772SS**  trans-108.6120160.900000108.7A126 F130A126-A128 PolarHBondContact O-N 3.47Å; A128-F130 PolarHBondContact O-N 2.87Å
129N32.3Very low34.7Very low160 Ų160132.3 Ų132.386%0.85676%0.758SS**  trans-57101.8172.8-76.4-68.4000109.9V131N129-V131 PolarHBondContact O-N 3.5Å; N129-V131 VanDerWaalsContact O-N 3.1Å
130F30.3Very low34.7Very low196 Ų196132 Ų13286%0.8675%0.752SS**  trans-74.399.7169.6-111.6-91.5000108.8A128 K132A128-F130 PolarHBondContact O-N 2.87Å; F130-K132 PolarHBondContact O-N 3.23Å
131V37.9Very low35.4Very low132 Ų132131.3 Ų131.380%0.875%0.75SS**PPolyproline II helixtrans-55.7120.8163.3176.60000107.5N129N129-V131 PolarHBondContact O-N 3.5Å; N129-V131 VanDerWaalsContact O-N 3.1Å
132K37.1Very low36Very low172 Ų172128.7 Ų128.775%0.74875%0.748SS**PPolyproline II helixtrans-58.3124.3-177.1178179.3175.6-169.70110.4F130F130-K132 PolarHBondContact O-N 3.23Å
133P37.6Very low36.8Very low101 Ų101124.4 Ų124.466%0.65673%0.73SS**PPolyproline II helixtrans-65.314116826.7-31.9000109.7S135P133-S135 PolarHBondContact O-N 2.92Å
134P37.2Very low36.9Very low123 Ų123122.4 Ų122.480%0.79972%0.72SS**PPolyproline II helixtrans-59.2139.5176.924.4-32.3000110.6
135S35.7Very low37.4Very low53 Ų53117.9 Ų117.937%0.37171%0.707SS.*PPolyproline II helixtrans-68126.9178.5171.70000109.5P133 Y137P133-S135 PolarHBondContact O-N 2.92Å; S135-Y137 PolarHBondContact O-N 3.3Å
136P49.1Very low38Very low101 Ų101118.3 Ų118.366%0.65670%0.704SS**THydrogen-bonded Turntrans-72.622-177.925.8-31.1000114.9
137Y43.5Very low38.5Very low184 Ų184117.4 Ų117.472%0.72270%0.696SS**THydrogen-bonded Turntrans-134.411.9-175.5-59.1-70000114.7S135 T139S135-Y137 PolarHBondContact O-N 3.3Å; Y137-T139 PolarHBondContact O-N 3.19Å
138D34.1Very low39.3Very low142 Ų142111.3 Ų111.376%0.75969%0.686SS**  trans-9051.6167-65.4-60.4000110.2
139T41.8Very low39.6Very low93 Ų93111.8 Ų111.857%0.57169%0.69SS**  trans-121.1107.1166.354.20000107.7Y137Y137-T139 PolarHBondContact O-N 3.19Å
140D30.1Very low39.9Very low127 Ų127108.7 Ų108.768%0.67969%0.687SS**  trans-48.4134.8168.5-76-63000109.5A142 S143D140-A142 PolarHBondContact O-N 2.92Å; D140-S143 PolarHBondContact O-N 3.16Å; D140-S143 PolarHBondContact O-OG 3.45Å
141P45.6Very low40.3Very low123 Ų123104.2 Ų104.280%0.79969%0.685SS**THydrogen-bonded Turntrans-62.2-1.6-179.224.2-33.1000114.1
142A43.9Very low40.1Very low87 Ų87103 Ų10372%0.71969%0.689SS**THydrogen-bonded Turntrans-84.2-20.4170.700000114D140D140-A142 PolarHBondContact O-N 2.92Å
143S45.2Very low40Very low65 Ų6599.6 Ų99.646%0.45569%0.693SS.*THydrogen-bonded Turntrans-91.1-23.1-176.562.50000114.1D140 A145D140-S143 PolarHBondContact O-N 3.16Å; D140-S143 PolarHBondContact O-OG 3.45Å; S143-A145 PolarHBondContact O-N 3.17Å
144A40.8Very low40Very low67 Ų6799.5 Ų99.555%0.55470%0.701SS**THydrogen-bonded Turntrans-76.6-17.8-179.500000114.1
145A41.1Very low40.2Very low79 Ų7998.9 Ų98.965%0.65371%0.706SS**THydrogen-bonded Turntrans-79.1-20.8177.600000113.3S143S143-A145 PolarHBondContact O-N 3.17Å
146A42Very low40.4Very low81 Ų8199.5 Ų99.567%0.66972%0.721SS**THydrogen-bonded Turntrans-84.8-22.7-179.300000113.5
147A42Very low39.7Very low82 Ų82102.5 Ų102.568%0.67873%0.731SS**G310 helixtrans-84.6-12.9-177.700000114.3
148A42.6Very low39.4Very low88 Ų88100.6 Ų100.673%0.72773%0.732SS**G310 helixtrans-87.5-3.4-178.300000114.6
149A41.5Very low39.7Very low92 Ų92101 Ų10176%0.7673%0.732SS**G310 helixtrans-97.5-0.6-175.600000115
150A39.2Very low40Very low95 Ų95102 Ų10279%0.78574%0.737SS**SBendtrans-111.39.4-167.300000116.5
151A37.9Very low40.8Very low101 Ų101102.4 Ų102.484%0.83575%0.745SS**  trans-117.515.4-169.200000116.8
152A35.1Very low40.7Very low107 Ų107102.6 Ų102.688%0.88475%0.746SS**  trans-107.318-17100000116.6
153A34.5Very low40.5Very low100 Ų100105.4 Ų105.483%0.82675%0.754SS**  trans-128.374.4-176.600000112.9
154A37Very low40.4Very low100 Ų100107.2 Ų107.283%0.82677%0.773SS**  trans-178.284.8158.500000111.5
155A41.9Very low40.2Very low109 Ų109107.7 Ų107.790%0.90178%0.784SS**  trans-172.499.6151.600000107.6
156G39Very low40.2Very low66 Ų66108.8 Ų108.868%0.6879%0.793SS**  trans-85.8161.7-177.200000114.3
157L34.6Very low40.1Very low165 Ų165110.3 Ų110.386%0.86481%0.805SS**  trans71.4145.9141.4-79.9117.2000120.7
158L38.5Very low39.9Very low144 Ų144110.1 Ų110.175%0.75481%0.812SS**  trans90.9118.4168.4-53.9-177000113.3
159M40.2Very low39.8Very low151 Ų151111.8 Ų111.874%0.74482%0.818SS**  cis-164.8149.912.9-94.6-69.5-163.300109.9
160T46.9Very low39.9Very low112 Ų112112.3 Ų112.369%0.68781%0.814SS**  trans6395.7142.861.30000122.5
161T48.4Very low39.6Very low136 Ų136119 Ų11983%0.83482%0.819SS**  46.9144.4122.556.60000124.6
162P43Very low39.6Very low127 Ų127121 Ų12183%0.82582%0.821SS**  trans-113.1170.9-163.540-24.3000115
163V40.2Very low40Very low147 Ų147123.3 Ų123.389%0.89182%0.824SS**  trans-129.7138.5158.667.20000110.4
164A41.7Very low39.9Very low103 Ų103122 Ų12285%0.85182%0.82SS**  trans-77.5152.4-163.700000115
165G38.1Very low40.2Very low76 Ų76123.8 Ų123.878%0.78482%0.821SS**  trans-179.892.4168.200000113.8
166A40.4Very low40.1Very low103 Ų103125.5 Ų125.585%0.85182%0.82SS**  trans59.7100.9151.500000120.9
167A40.2Very low40Very low112 Ų112129.8 Ų129.893%0.92683%0.826SS**  trans32.5112.7131.400000120.6
168G37.4Very low40Very low79 Ų79127.7 Ų127.781%0.81483%0.826SS**  trans165102.3161.100000112.3
169S40.9Very low40Very low122 Ų122124.8 Ų124.885%0.85382%0.822SS**  trans-64.3150.6-175.1-57.60000114.5
170P42.8Very low40Very low104 Ų104124.8 Ų124.868%0.67583%0.825SS**  trans-95.2-170.8-176.736.8-30.2000113.3
171W33.1Very low39.5Very low235 Ų235130.2 Ų130.289%0.8983%0.834SS**  trans87.6100177.5-48.591.4000116.3
172T38.1Very low39Very low143 Ų143128.3 Ų128.388%0.87783%0.833SS**  174.8131.3105280000110.8
173V43.3Very low38.7Very low155 Ų155129.1 Ų129.194%0.93984%0.835SS**  trans-88.4114180-153.30000108.2
174G32.9Very low38.6Very low73 Ų73126.3 Ų126.375%0.75383%0.828SS**  trans4791.7150.900000120.4
175T42.1Very low38.5Very low138 Ų138130 Ų13085%0.84783%0.828SS**  trans-109124.3147.417.50000109.3L177T175-L177 PolarHBondContact O-N 3.12Å
176V39.6Very low38.5Very low144 Ų144133.4 Ų133.487%0.87383%0.833SS**  trans-76111.9174.5-171.40000108
177L37.5Very low38.4Very low157 Ų157132 Ų13282%0.82283%0.828SS**  trans-99.2122.5169.6-14390.5000108T175T175-L177 PolarHBondContact O-N 3.12Å
178S34.8Very low38.4Very low121 Ų121131.8 Ų131.885%0.84683%0.827SS**  trans-114.6104.8160.7-77.10000108.1
179A39.2Very low38.4Very low82 Ų82131.7 Ų131.768%0.67883%0.826SS**  trans-145.192.5163.100000108.2
180N40.2Very low38.2Very low152 Ų152130.8 Ų130.881%0.81383%0.825SS**  trans-101.1138.2150.6-68.8-24.4000103.2
181Y35.4Very low37.9Very low225 Ų225130.7 Ų130.788%0.88283%0.834SS**  cis-169.8137.74643.3-88.4000106.8
182A37.5Very low37.9Very low96 Ų96124 Ų12479%0.79383%0.828SS**  trans-147.5110.7170.300000110.2
183T37.8Very low38Very low144 Ų144123.9 Ų123.988%0.88383%0.827SS**  trans-170.1138.316444.40000104.8
184A37.2Very low37.7Very low88 Ų88122.3 Ų122.373%0.72782%0.819SS**  cis-170.2177.53.100000107.1
185Q40.4Very low38.1Very low182 Ų182125 Ų12585%0.8582%0.823SS**  trans101.594.3156.5-59.4-176.4-9.700120.2
186T36.9Very low37.6Very low147 Ų147124.1 Ų124.190%0.90282%0.817SS**  12.2137.9127.655.30000122.3
187G38.6Very low37.8Very low73 Ų73122.9 Ų122.975%0.75381%0.81SS**  trans143.486.9158.600000111.8
188A40.2Very low37.9Very low108 Ų108122.5 Ų122.589%0.89381%0.809SS**  70.5120.394.700000115.3
189G37.8Very low37.9Very low77 Ų77125 Ų12579%0.79481%0.812SS**  trans114.3107.9140.700000119.3
190A36.2Very low37.9Very low102 Ų102124.6 Ų124.684%0.84382%0.817SS**  87.3113128.500000121.7
191A37.2Very low37.9Very low103 Ų103121.7 Ų121.785%0.85181%0.814SS**  88.8123.5120.300000120.4
192A32.4Very low38.2Very low93 Ų93118.9 Ų118.977%0.76981%0.814SS**  trans-73.3153.9175.500000113.2
193T40.1Very low37.9Very low141 Ų141117.6 Ų117.687%0.86581%0.809SS**  trans-159.5121.3145.11.60000109.2
194T37.1Very low38Very low123 Ų123119 Ų11976%0.75581%0.811SS**  trans-66.5167.1175.645.80000112.6
195P41.8Very low37.7Very low130 Ų130120.7 Ų120.784%0.84482%0.817SS**  -135.2139.2120.233.3-20.7000114.7
196T31.9Very low37.7Very low118 Ų118117.3 Ų117.372%0.72481%0.814SS**  trans-88.5167.5163.5-59.40000109.6
197V42.9Very low38.2Very low119 Ų119115.2 Ų115.272%0.72180%0.803SS**  trans87.5138.8170.6-53.90000114.6
198N40.8Very low38.1Very low149 Ų149117.8 Ų117.880%0.79781%0.806SS**  cis-165.8152.813.87.4-5000109.9
199N34.8Very low38.4Very low173 Ų173117.4 Ų117.493%0.92580%0.803SS**  trans-62.7147.9-171.9-63.5-49.5000116.2
200G38.6Very low39Very low74 Ų74124.9 Ų124.976%0.76381%0.807SS**  trans172.798.4162.300000114.5
201A40.3Very low39.2Very low91 Ų91129.8 Ų129.875%0.75281%0.809SS**  trans46.496.815100000119.3
202N41.5Very low39.4Very low166 Ų166130.1 Ų130.189%0.88880%0.804SS**  172.2119121.1-84.6-30.8000109.7
203G32.3Very low39.9Very low68 Ų68130.6 Ų130.670%0.70179%0.786SS**  trans-69.3171.4178.100000113.4
204L38.7Very low40.3Very low173 Ų173131.2 Ų131.291%0.90677%0.773SS**  trans91.978.6-177.5-60.8136.1000114.7S206L204-S206 PolarHBondContact O-N 3.34Å
205S30.8Very low40.6Very low124 Ų124129.5 Ų129.587%0.86777%0.765SS**  trans-45.297.6154.452.10000111.4
206S41.8Very low40.8Very low112 Ų112132.4 Ų132.478%0.78377%0.767SS**  trans-82.7125.1166.3-88.40000109.6L204L204-S206 PolarHBondContact O-N 3.34Å
207P45.9Very low41.4Very low102 Ų102130.5 Ų130.566%0.66276%0.758SS**  trans-67.3156.6176.930.2-34000110.1A209P207-A209 PolarHBondContact O-N 2.96Å
208P37.3Very low41.7Very low127 Ų127127.4 Ų127.483%0.82574%0.74SS**  trans-66.599.4-174.426.9-33.5000110.9R210P208-R210 PolarHBondContact O-N 2.88Å
209A46.5Very low42Very low100 Ų100124.9 Ų124.983%0.82673%0.726SS**  trans-78.985.8177.700000110.7P207P207-A209 PolarHBondContact O-N 2.96Å
210R49.7Very low43Very low234 Ų234117.7 Ų117.788%0.88369%0.69SS**  trans11.7124.8146.6-59.9178.4-170.5-101.8-1.4117.1P208P208-R210 PolarHBondContact O-N 2.88Å
211K42Very low43.7Very low205 Ų205118.8 Ų118.889%0.89168%0.678SS**SBendtrans0.2126.9155.8-61.6169.2-174.3-178.80115.6R213K211-R213 PolarHBondContact O-N 3.48Å
212C41.1Very low44.4Very low110 Ų110121.7 Ų121.774%0.74367%0.673SS**  trans-38.3124.7-171.4-167.80000114.6R214C212-R214 PolarHBondContact O-N 2.83Å; C212-R214 WeakPolarHBondContact SG-CB 3.5Å
213R42.3Very low44.9Very low103 Ų103115 Ų11539%0.38964%0.64SS.*THydrogen-bonded Turntrans-64.65.6175-112.6173.4-155.9-79.9-2.5114.9K211 C220K211-R213 PolarHBondContact O-N 3.48Å; R213-C220 PolarHBondContact O-SG 3.21Å
214R47.7Very low45.8Very low155 Ų155119.8 Ų119.859%0.58565%0.645SS**THydrogen-bonded Turntrans-77.1-34-164-174.161.279.2-178.15.6113.9C212C212-R214 PolarHBondContact O-N 2.83Å; C212-R214 WeakPolarHBondContact SG-CB 3.5Å
215C43.6Very low46.7Very low86 Ų86114 Ų11458%0.58162%0.618SS**SBendtrans-169.617.3-176.636.50000121.5
216Q45.6Very low47.9Very low192 Ų192111.5 Ų111.590%0.89760%0.597SS**SBendtrans-104.640.4177.9-70172.65.400115.7
217C45.1Very low48.7Very low78 Ų78109.9 Ų109.953%0.52759%0.59SS.*  trans58.9180167.9-580000118.4A260C217-A260 HydrophobicContact CB-CB 4.32Å
218P48.8Very low49.4Very low54 Ų54107.4 Ų107.435%0.35157%0.572SS.*SBendcis-102.710.3-38.3615.4000112.3A260P218-A260 HydrophobicContact CB-CB 4Å
219N48.4Very low50.5Low95 Ų95107.8 Ų107.851%0.50857%0.574SS.*  trans-145.752.7-161.4-134.1-14.3000113.8L221N219-L221 HydrophobicContact CB-CD1 4.46Å; N219-L221 PolarHBondContact O-N 2.98Å; N219-L221 VanDerWaalsContact OD1-CD1 3.31Å; N219-L221 WeakPolarHBondContact OD1-CD1 3.38Å
220C54.5Low51.3Low23 Ų23106.7 Ų106.716%0.15556%0.561CS.*  trans-68.573.5-180-75.60000113.4R213 K222 L256R213-C220 PolarHBondContact O-SG 3.21Å; C220-K222 VanDerWaalsContact C-N 3.31Å; C220-K222 PolarHBondContact O-N 3.08Å; C220-L256 HydrophobicContact CB-CD1 4.01Å
221L53.7Low51.9Low97 Ų9798.7 Ų98.751%0.50855%0.551SS.*THydrogen-bonded Turntrans-73.612.5178.1-96.9131.6000118.3N219 K253N219-L221 HydrophobicContact CB-CD1 4.46Å; N219-L221 PolarHBondContact O-N 2.98Å; N219-L221 VanDerWaalsContact OD1-CD1 3.31Å; N219-L221 WeakPolarHBondContact OD1-CD1 3.38Å; L221-K253 VanDerWaalsContact CG-CE 3.49Å
222K54.2Low52.8Low152 Ų15297.1 Ų97.166%0.66154%0.539SS*.THydrogen-bonded Turntrans-139.649.1172.3-51170.6-175.4-169.10109.1C220 E224C220-K222 VanDerWaalsContact C-N 3.31Å; C220-K222 PolarHBondContact O-N 3.08Å; K222-E224 PolarHBondContact O-N 3.16Å
223A52.2Low54.1Low24 Ų2498.4 Ų98.420%0.19853%0.532CS..  trans-69.5106.4155.300000105.1L252A223-L252 HydrophobicContact CB-CD2 3.79Å
224E52.3Low55.3Low169 Ų16995.1 Ų95.179%0.7952%0.522SS*.PPolyproline II helixtrans-54135.8172.6-66.1-164.1115.900108.4K222 T226K222-E224 PolarHBondContact O-N 3.16Å; E224-T226 PolarHBondContact O-N 3.43Å
225P56.4Low56.4Low52 Ų5289 Ų8934%0.33850%0.499SS..EExtended strand (participates in β ladder)trans-70.1127.2-176.332.7-40000111K233 M234P225-K233 HydrophobicContact CB-CB 4.13Å; P225-K233 HydrophobicContact CB-CD 3.93Å; P225-K233 HydrophobicContact CB-CG 3.02Å; P225-K233 HydrophobicContact CG-CD 3.98Å; P225-K233 VanDerWaalsContact CG-CE 3.4Å; P225-K233 HydrophobicContact CG-CG 3.56Å; P225-M234 CarbonylContact C-O 3.49Å; P225-M234 WeakPolarHBondContact CA-O 3.48Å
226T57.6Low57.7Low71 Ų7187 Ų8744%0.43649%0.485SS..EExtended strand (participates in β ladder)trans-81.9130.916258.20000107.4E224 M234 V236E224-T226 PolarHBondContact O-N 3.43Å; T226-M234 PolarHBondContact N-O 2.87Å; T226-M234 WeakPolarHBondContact O-CA 3.46Å; T226-M234 VanDerWaalsContact O-CB 3.28Å; T226-M234 WeakPolarHBondContact O-CB 3.47Å; T226-M234 PolarHBondContact O-N 3.48Å; T226-V236 HydrophobicContact CG2-CG2 3.67Å; T226-V236 WeakPolarHBondContact OG1-CG2 3.47Å
227A58.7Low59Low78 Ų7878.2 Ų78.265%0.64544%0.444SS*.EExtended strand (participates in β ladder)trans-73.2127.6168.400000108.6
228D60.1Low60.2Low50 Ų5075.9 Ų75.927%0.26743%0.428SS..PPolyproline II helixtrans-69.7158.5162.5-177.1-92000109.9S230 G231 R232 M234D228-S230 PolarHBondContact O-N 3.43Å; D228-S230 VanDerWaalsContact OD1-CB 3.25Å; D228-S230 WeakPolarHBondContact OD1-CB 3.43Å; D228-S230 PolarHBondContact OD1-N 2.8Å; D228-S230 PolarHBondContact OD1-OG 3.01Å; D228-G231 PolarHBondContact O-N 3.29Å; D228-R232 PolarHBondContact N-O 3.14Å; D228-R232 VanDerWaalsContact N-O 3.15Å; D228-M234 HydrophobicContact CB-CE 3.34Å; D228-M234 HydrophobicContact CB-CG 4.1Å; D228-M234 HydrophobicContact CB-SD 3.78Å; D228-M234 VanDerWaalsContact CG-CE 3.43Å; D228-M234 VanDerWaalsContact OD2-CE 3.22Å; D228-M234 WeakPolarHBondContact OD2-CE 3.13Å
229P61.1Low61Low136 Ų13675 Ų7588%0.88342%0.422SS*.THydrogen-bonded Turntrans-48.5-20.5169.915.3-31.2000114.4G231P229-G231 VanDerWaalsContact C-N 3.34Å
230S63Low61.7Low77 Ų7775.6 Ų75.654%0.53843%0.431SS..THydrogen-bonded Turntrans-84.58.1173.7-42.60000115.3D228 R232D228-S230 PolarHBondContact O-N 3.43Å; D228-S230 VanDerWaalsContact OD1-CB 3.25Å; D228-S230 WeakPolarHBondContact OD1-CB 3.43Å; D228-S230 PolarHBondContact OD1-N 2.8Å; D228-S230 PolarHBondContact OD1-OG 3.01Å; S230-R232 PolarHBondContact O-N 3.32Å
231G61.4Low62.2Low65 Ų6578.9 Ų78.967%0.6747%0.469SS*.  trans70.59.3-178.200000115D228 P229D228-G231 PolarHBondContact O-N 3.29Å; P229-G231 VanDerWaalsContact C-N 3.34Å
232R61.7Low63Low173 Ų17375.4 Ų75.465%0.65345%0.452SS*.  trans-84.9130.7-179.8-75.5-172.1-114.8-121.2-1.1111.3D228 S230 M234D228-R232 PolarHBondContact N-O 3.14Å; D228-R232 VanDerWaalsContact N-O 3.15Å; S230-R232 PolarHBondContact O-N 3.32Å; R232-M234 WeakPolarHBondContact O-CG 3.46Å; R232-M234 PolarHBondContact O-N 2.92Å
233K66.9Low63.8Low137 Ų13771.5 Ų71.560%0.59646%0.455SS*.EExtended strand (participates in β ladder)trans-63.4106.3173.8-164.4177.6173.7119.60109.9P225P225-K233 HydrophobicContact CB-CB 4.13Å; P225-K233 HydrophobicContact CB-CD 3.93Å; P225-K233 HydrophobicContact CB-CG 3.02Å; P225-K233 HydrophobicContact CG-CD 3.98Å; P225-K233 VanDerWaalsContact CG-CE 3.4Å; P225-K233 HydrophobicContact CG-CG 3.56Å
234M68.2Low65Low34 Ų3475.3 Ų75.317%0.16747%0.467CS..EExtended strand (participates in β ladder)trans-108.9134.1-179-58.8-159.8165.100112.8P225 T226 D228 R232 S245P225-M234 CarbonylContact C-O 3.49Å; P225-M234 WeakPolarHBondContact CA-O 3.48Å; T226-M234 PolarHBondContact N-O 2.87Å; T226-M234 WeakPolarHBondContact O-CA 3.46Å; T226-M234 VanDerWaalsContact O-CB 3.28Å; T226-M234 WeakPolarHBondContact O-CB 3.47Å; T226-M234 PolarHBondContact O-N 3.48Å; D228-M234 HydrophobicContact CB-CE 3.34Å; D228-M234 HydrophobicContact CB-CG 4.1Å; D228-M234 HydrophobicContact CB-SD 3.78Å; D228-M234 VanDerWaalsContact CG-CE 3.43Å; D228-M234 VanDerWaalsContact OD2-CE 3.22Å; D228-M234 WeakPolarHBondContact OD2-CE 3.13Å; R232-M234 WeakPolarHBondContact O-CG 3.46Å; R232-M234 PolarHBondContact O-N 2.92Å; M234-S245 PolarHBondContact SD-OG 2.85Å
235H71.6Confident66.2Low25 Ų2569.9 Ų69.912%0.11645%0.448CS..EExtended strand (participates in β ladder)trans-93.1111.1176.2-61.2-73.1000110.5S245 Y246 T249 L252H235-S245 CarbonylContact O-C 3.56Å; H235-S245 WeakPolarHBondContact O-CA 3.35Å; H235-Y246 WeakPolarHBondContact CB-O 3.47Å; H235-Y246 PolarHBondContact CD2-O 3.3Å; H235-Y246 PolarHBondContact N-O 3.46Å; H235-Y246 PolarHBondContact O-N 3.26Å; H235-T249 PolarHBondContact CD2-N 3.5Å; H235-T249 WeakPolarHBondContact CE1-CG2 3.43Å; H235-T249 WeakPolarHBondContact NE2-CG2 3.49Å; H235-L252 HydrophobicContact CB-CB 3.95Å; H235-L252 HydrophobicContact CB-CD2 3.64Å; H235-L252 HydrophobicContact CB-CG 4.31Å
236V70.7Confident67.2Low45 Ų4570.1 Ų70.127%0.27344%0.442SS..EExtended strand (participates in β ladder)trans-88.9138.5-176-173.90000111.2T226 C238T226-V236 HydrophobicContact CG2-CG2 3.67Å; T226-V236 WeakPolarHBondContact OG1-CG2 3.47Å; V236-C238 PolarHBondContact O-N 2.73Å
237C73.2Confident68.2Low7 Ų769.3 Ų69.35%0.04745%0.448CS..  trans-68.4123.7170.3-174.10000110.5V239 C242 K244 L252 H255C237-V239 PolarHBondContact O-N 3.35Å; C237-C242 HydrophobicContact CB-CB 4.26Å; C237-K244 WeakPolarHBondContact CB-O 3.19Å; C237-K244 PolarHBondContact N-O 2.81Å; C237-L252 HydrophobicContact CB-CD1 4.1Å; C237-H255 WeakPolarHBondContact CB-NE2 3.27Å; C237-H255 VanDerWaalsContact SG-CD2 3.58Å; C237-H255 PolarHBondContact SG-NE2 3.45Å
238C68.7Low69.1Low29 Ų2971.9 Ų71.920%0.19644%0.444CS..  trans-78.7-4.1-178.569.60000114V236V236-C238 PolarHBondContact O-N 2.73Å
239V66.4Low69.9Low36 Ų3672.9 Ų72.922%0.21845%0.453CS..SBendtrans-74.6122.2-177-179.80000110C237 G241 C242 H259C237-V239 PolarHBondContact O-N 3.35Å; V239-G241 PolarHBondContact O-N 3.12Å; V239-C242 HydrophobicContact CB-CB 4.26Å; V239-C242 PolarHBondContact O-N 2.77Å; V239-C242 VanDerWaalsContact O-N 3.13Å; V239-H259 HydrophobicContact CG2-CB 4.07Å
240P62.9Low70.7Confident108 Ų10869.4 Ų69.470%0.70143%0.431SS*.THydrogen-bonded Turntrans-58.5129.5176.622.8-30.8000110
241G65.9Low71.3Confident91 Ų9169.8 Ų69.894%0.93842%0.424SS*.THydrogen-bonded Turntrans90.9-5.2-177.400000115.9V239V239-G241 PolarHBondContact O-N 3.12Å
242C69.8Low72Confident25 Ų2567 Ų6717%0.16939%0.394CS..THydrogen-bonded Turntrans-89.4-48.6177.5-165.80000113.6C237 V239 K244 H255 H259C237-C242 HydrophobicContact CB-CB 4.26Å; V239-C242 HydrophobicContact CB-CB 4.26Å; V239-C242 PolarHBondContact O-N 2.77Å; V239-C242 VanDerWaalsContact O-N 3.13Å; C242-K244 PolarHBondContact O-N 3.49Å; C242-H255 PolarHBondContact SG-CE1 3.01Å; C242-H255 PolarHBondContact SG-NE2 3.43Å; C242-H259 PolarHBondContact SG-NE2 3.49Å; C242-H259 VanDerWaalsContact SG-NE2 3.39Å
243G72Confident72.5Confident69 Ų6962.1 Ų62.171%0.71138%0.378SS*.  trans61.14.8178.400000116.3
244K75.6Confident72.8Confident104 Ų10456.2 Ų56.245%0.45235%0.354SS..  trans-80.2133.2-175-67.7178.1-169.9176.40111.7C237 C242 Y246C237-K244 WeakPolarHBondContact CB-O 3.19Å; C237-K244 PolarHBondContact N-O 2.81Å; C242-K244 PolarHBondContact O-N 3.49Å; K244-Y246 HydrophobicContact CB-CE2 3.84Å
245S79.2Confident73.2Confident55 Ų5555.3 Ų55.339%0.38535%0.35SS..EExtended strand (participates in β ladder)trans-116.3148174.365.20000111.1M234 H235M234-S245 PolarHBondContact SD-OG 2.85Å; H235-S245 CarbonylContact O-C 3.56Å; H235-S245 WeakPolarHBondContact O-CA 3.35Å
246Y77.7Confident73Confident58 Ų5854.8 Ų54.823%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-137.1130.1-176.5-63.4-81.6000111.1H235 K244 K248 H251 L252 H255H235-Y246 WeakPolarHBondContact CB-O 3.47Å; H235-Y246 PolarHBondContact CD2-O 3.3Å; H235-Y246 PolarHBondContact N-O 3.46Å; H235-Y246 PolarHBondContact O-N 3.26Å; K244-Y246 HydrophobicContact CB-CE2 3.84Å; Y246-K248 PolarHBondContact O-N 3.25Å; Y246-K248 VanDerWaalsContact O-N 3.12Å; Y246-H251 HydrophobicContact CD1-CB 3.7Å; Y246-H251 HydrophobicContact CE1-CB 4.49Å; Y246-H251 HydrophobicContact CG-CB 3.93Å; Y246-L252 HydrophobicContact CD2-CB 4.18Å; Y246-L252 HydrophobicContact CD2-CD1 3.98Å; Y246-L252 HydrophobicContact CE2-CD1 4.42Å; Y246-H255 HydrophobicContact CD2-CB 4.4Å; Y246-H255 HydrophobicContact CE2-CB 3.55Å; Y246-H255 AromaticContact CE2-CD2 3.6Å; Y246-H255 AromaticContact CE2-CG 3.46Å; Y246-H255 VanDerWaalsContact CE2-CG 3.46Å; Y246-H255 AromaticContact CZ-CG 3.75Å; Y246-H255 PolarHBondContact OH-ND1 3.43Å
247G78.6Confident72.9Confident53 Ų5356.4 Ų56.455%0.54635%0.349SS..SBendtrans-67.9-8.2177.400000115.5
248K77.4Confident72.6Confident132 Ų13263.6 Ų63.657%0.57438%0.375SS*.SBendtrans-128.3135.5178.1-66.4-175.2179.9-177.60110.9Y246 S250 H251 L252Y246-K248 PolarHBondContact O-N 3.25Å; Y246-K248 VanDerWaalsContact O-N 3.12Å; K248-S250 PolarHBondContact O-N 3.29Å; K248-H251 PolarHBondContact O-N 2.83Å; K248-H251 VanDerWaalsContact O-N 3.12Å; K248-L252 PolarHBondContact O-N 2.94Å
249T76Confident72.5Confident72 Ų7265.1 Ų65.144%0.44238%0.379SS..Hα-helixtrans-57.3-35.4174.952.60000112.6H235 H251 L252 K253H235-T249 PolarHBondContact CD2-N 3.5Å; H235-T249 WeakPolarHBondContact CE1-CG2 3.43Å; H235-T249 WeakPolarHBondContact NE2-CG2 3.49Å; T249-H251 VanDerWaalsContact C-N 3.3Å; T249-H251 PolarHBondContact O-N 3.35Å; T249-L252 PolarHBondContact O-N 2.71Å; T249-K253 WeakPolarHBondContact O-CG 3.36Å; T249-K253 PolarHBondContact O-N 2.82Å
250S77.3Confident72.2Confident63 Ų6364.5 Ų64.544%0.44138%0.378SS..Hα-helixtrans-62.6-35.8178.257.80000112.7K248 A254K248-S250 PolarHBondContact O-N 3.29Å; S250-A254 PolarHBondContact O-N 3.3Å
251H76.5Confident72Confident84 Ų8462 Ų6239%0.38937%0.371SS..Hα-helixtrans-73-42.2177.1-67.7-171.3000110.9Y246 K248 T249 K253 A254 H255Y246-H251 HydrophobicContact CD1-CB 3.7Å; Y246-H251 HydrophobicContact CE1-CB 4.49Å; Y246-H251 HydrophobicContact CG-CB 3.93Å; K248-H251 PolarHBondContact O-N 2.83Å; K248-H251 VanDerWaalsContact O-N 3.12Å; T249-H251 VanDerWaalsContact C-N 3.3Å; T249-H251 PolarHBondContact O-N 3.35Å; H251-K253 VanDerWaalsContact C-N 3.34Å; H251-K253 PolarHBondContact O-N 3.17Å; H251-A254 PolarHBondContact O-N 3.45Å; H251-H255 WeakPolarHBondContact O-CB 3.36Å; H251-H255 PolarHBondContact O-N 2.54Å
252L75.7Confident71.2Confident7 Ų762.6 Ų62.64%0.03735%0.35CS..Hα-helixtrans-60.7-43.4172.9-179.666.2000111A223 H235 C237 Y246 K248 T249 A254 H255 L256A223-L252 HydrophobicContact CB-CD2 3.79Å; H235-L252 HydrophobicContact CB-CB 3.95Å; H235-L252 HydrophobicContact CB-CD2 3.64Å; H235-L252 HydrophobicContact CB-CG 4.31Å; C237-L252 HydrophobicContact CB-CD1 4.1Å; Y246-L252 HydrophobicContact CD2-CB 4.18Å; Y246-L252 HydrophobicContact CD2-CD1 3.98Å; Y246-L252 HydrophobicContact CE2-CD1 4.42Å; K248-L252 PolarHBondContact O-N 2.94Å; T249-L252 PolarHBondContact O-N 2.71Å; L252-A254 PolarHBondContact O-N 3.21Å; L252-H255 CarbonylContact O-C 3.58Å; L252-H255 WeakPolarHBondContact O-CB 3.45Å; L252-H255 PolarHBondContact O-N 3.23Å; L252-L256 HydrophobicContact CD1-CD1 4.43Å; L252-L256 HydrophobicContact CD1-CG 4.23Å; L252-L256 HydrophobicContact CD2-CD1 4.36Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.23Å; L252-L256 WeakPolarHBondContact O-CB 3.42Å; L252-L256 WeakPolarHBondContact O-CG 3.3Å; L252-L256 PolarHBondContact O-N 2.82Å
253K73.1Confident70.6Confident71 Ų7165.4 Ų65.431%0.30936%0.359SS..Hα-helixtrans-59.8-43.9175.5-76.3-179.5177.9-176.20112.7L221 T249 H251 H255 L256 R257L221-K253 VanDerWaalsContact CG-CE 3.49Å; T249-K253 WeakPolarHBondContact O-CG 3.36Å; T249-K253 PolarHBondContact O-N 2.82Å; H251-K253 VanDerWaalsContact C-N 3.34Å; H251-K253 PolarHBondContact O-N 3.17Å; K253-H255 VanDerWaalsContact C-N 3.28Å; K253-H255 PolarHBondContact O-N 2.83Å; K253-L256 PolarHBondContact O-N 3.21Å; K253-R257 PolarHBondContact O-N 3.21Å; K253-R257 VanDerWaalsContact O-N 3.17Å
254A72.2Confident70.2Confident12 Ų1266 Ų6610%0.09935%0.35CS..Hα-helixtrans-65.5-34.8176.700000112S250 H251 L252 R278S250-A254 PolarHBondContact O-N 3.3Å; H251-A254 PolarHBondContact O-N 3.45Å; L252-A254 PolarHBondContact O-N 3.21Å; A254-R278 HydrophobicContact CB-CG 4.5Å
255H77Confident69.4Low16 Ų1664 Ų647%0.07434%0.342CS..Hα-helixtrans-70.4-42.5174.6171.363000112.5C237 C242 Y246 H251 L252 K253 R257 W258 H259C237-H255 WeakPolarHBondContact CB-NE2 3.27Å; C237-H255 VanDerWaalsContact SG-CD2 3.58Å; C237-H255 PolarHBondContact SG-NE2 3.45Å; C242-H255 PolarHBondContact SG-CE1 3.01Å; C242-H255 PolarHBondContact SG-NE2 3.43Å; Y246-H255 HydrophobicContact CD2-CB 4.4Å; Y246-H255 HydrophobicContact CE2-CB 3.55Å; Y246-H255 AromaticContact CE2-CD2 3.6Å; Y246-H255 AromaticContact CE2-CG 3.46Å; Y246-H255 VanDerWaalsContact CE2-CG 3.46Å; Y246-H255 AromaticContact CZ-CG 3.75Å; Y246-H255 PolarHBondContact OH-ND1 3.43Å; H251-H255 WeakPolarHBondContact O-CB 3.36Å; H251-H255 PolarHBondContact O-N 2.54Å; L252-H255 CarbonylContact O-C 3.58Å; L252-H255 WeakPolarHBondContact O-CB 3.45Å; L252-H255 PolarHBondContact O-N 3.23Å; K253-H255 VanDerWaalsContact C-N 3.28Å; K253-H255 PolarHBondContact O-N 2.83Å; H255-R257 PolarHBondContact O-N 3.26Å; H255-W258 WeakPolarHBondContact O-CA 3.44Å; H255-W258 WeakPolarHBondContact O-CB 3.16Å; H255-W258 PolarHBondContact O-N 3.05Å; H255-H259 AromaticContact CE1-CD2 3.67Å; H255-H259 AromaticContact CE1-NE2 3.29Å; H255-H259 PolarHBondContact CE1-NE2 3.05Å; H255-H259 VanDerWaalsContact CE1-NE2 3.29Å; H255-H259 AromaticContact NE2-CD2 3.43Å; H255-H259 PolarHBondContact NE2-CD2 3.17Å; H255-H259 AromaticContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact NE2-NE2 3.45Å; H255-H259 VanDerWaalsContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact O-N 3.23Å
256L68.2Low68.4Low13 Ų1364.7 Ų64.77%0.06834%0.344CS..Hα-helixtrans-61.9-31.3176-73.4169.8000112.2C220 L252 K253 W258 H259 A260C220-L256 HydrophobicContact CB-CD1 4.01Å; L252-L256 HydrophobicContact CD1-CD1 4.43Å; L252-L256 HydrophobicContact CD1-CG 4.23Å; L252-L256 HydrophobicContact CD2-CD1 4.36Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.23Å; L252-L256 WeakPolarHBondContact O-CB 3.42Å; L252-L256 WeakPolarHBondContact O-CG 3.3Å; L252-L256 PolarHBondContact O-N 2.82Å; K253-L256 PolarHBondContact O-N 3.21Å; L256-W258 PolarHBondContact O-N 2.86Å; L256-H259 WeakPolarHBondContact O-CB 3.45Å; L256-H259 PolarHBondContact O-N 3.48Å; L256-H259 VanDerWaalsContact O-N 3.07Å; L256-A260 PolarHBondContact O-N 3.36Å
257R68.5Low68.1Low79 Ų7962.1 Ų62.130%0.29833%0.334SS..Hα-helixtrans-60.6-29.7170.8-78.1-178.5-107.6157.3-14.7113.4K253 H255 G261 T277K253-R257 PolarHBondContact O-N 3.21Å; K253-R257 VanDerWaalsContact O-N 3.17Å; H255-R257 PolarHBondContact O-N 3.26Å; R257-G261 PolarHBondContact O-N 3.21Å; R257-T277 PolarHBondContact NH1-O 3.33Å
258W66.2Low67.2Low159 Ų15967.3 Ų67.360%0.60235%0.349SS*.Hα-helixtrans-69.1-36.7173.8-175.880000111.6H255 L256 T277H255-W258 WeakPolarHBondContact O-CA 3.44Å; H255-W258 WeakPolarHBondContact O-CB 3.16Å; H255-W258 PolarHBondContact O-N 3.05Å; L256-W258 PolarHBondContact O-N 2.86Å; W258-T277 HydrophobicContact CB-CG2 4.48Å
259H66.5Low66.3Low60 Ų6064 Ų6428%0.27833%0.333SS..Hα-helixtrans-73.6-37.3174.2-74.1-64.7000113.3V239 C242 H255 L256 G261V239-H259 HydrophobicContact CG2-CB 4.07Å; C242-H259 PolarHBondContact SG-NE2 3.49Å; C242-H259 VanDerWaalsContact SG-NE2 3.39Å; H255-H259 AromaticContact CE1-CD2 3.67Å; H255-H259 AromaticContact CE1-NE2 3.29Å; H255-H259 PolarHBondContact CE1-NE2 3.05Å; H255-H259 VanDerWaalsContact CE1-NE2 3.29Å; H255-H259 AromaticContact NE2-CD2 3.43Å; H255-H259 PolarHBondContact NE2-CD2 3.17Å; H255-H259 AromaticContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact NE2-NE2 3.45Å; H255-H259 VanDerWaalsContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact O-N 3.23Å; L256-H259 WeakPolarHBondContact O-CB 3.45Å; L256-H259 PolarHBondContact O-N 3.48Å; L256-H259 VanDerWaalsContact O-N 3.07Å; H259-G261 PolarHBondContact O-N 3.19Å
260A60.6Low65.6Low23 Ų2367.8 Ų67.819%0.1935%0.35CS..THydrogen-bonded Turntrans-71.4-6.7178.700000113.4C217 P218 L256 E262C217-A260 HydrophobicContact CB-CB 4.32Å; P218-A260 HydrophobicContact CB-CB 4Å; L256-A260 PolarHBondContact O-N 3.36Å; A260-E262 HydrophobicContact CB-CG 4.35Å; A260-E262 PolarHBondContact O-N 3.19Å
261G57.7Low64.8Low55 Ų5571.2 Ų71.257%0.56736%0.357SS*.  trans66.6-4.7-176.700000114.5R257 H259 K263R257-G261 PolarHBondContact O-N 3.21Å; H259-G261 PolarHBondContact O-N 3.19Å; G261-K263 PolarHBondContact O-N 3.28Å
262E50Low64.3Low104 Ų10468.5 Ų68.549%0.48635%0.347SS..  trans-70.399.3176.7-69-178.1-178.100109.7A260 P264A260-E262 HydrophobicContact CB-CG 4.35Å; A260-E262 PolarHBondContact O-N 3.19Å; E262-P264 VanDerWaalsContact C-CD 3.44Å; E262-P264 WeakPolarHBondContact O-CD 3.27Å
263K56.6Low63.7Low85 Ų8570.7 Ų70.737%0.3737%0.371SS..  trans-104.388.1169.4-63.5173160.8-1450108.6G261 F265 R275 T277G261-K263 PolarHBondContact O-N 3.28Å; K263-F265 VanDerWaalsContact C-N 3.29Å; K263-F265 PolarHBondContact O-N 3.48Å; K263-R275 HydrophobicContact CB-CB 3.53Å; K263-R275 HydrophobicContact CD-CB 3.57Å; K263-R275 WeakPolarHBondContact CD-O 3.38Å; K263-R275 HydrophobicContact CG-CB 4.21Å; K263-R275 PolarHBondContact NZ-O 3.35Å; K263-R275 PolarHBondContact O-NE 2.74Å; K263-R275 PolarHBondContact O-NH2 3.22Å; K263-T277 HydrophobicContact CG-CG2 4.16Å
264P62.6Low63.4Low80 Ų8072.8 Ų72.852%0.51938%0.38SS..  trans-73.5-20.1-177.126.9-33.2000113E262 V266E262-P264 VanDerWaalsContact C-CD 3.44Å; E262-P264 WeakPolarHBondContact O-CD 3.27Å; P264-V266 PolarHBondContact O-N 2.83Å
265F59.1Low63.2Low63 Ų6378.5 Ų78.528%0.27640%0.399SS..EExtended strand (participates in β ladder)trans-96.997.1-176.3-59.4-74.5000110.5K263 R275 F276 L282K263-F265 VanDerWaalsContact C-N 3.29Å; K263-F265 PolarHBondContact O-N 3.48Å; F265-R275 CarbonylContact O-C 3.56Å; F265-R275 WeakPolarHBondContact O-CA 3.31Å; F265-F276 HydrophobicContact CB-CB 4.15Å; F265-F276 WeakPolarHBondContact CB-O 3.39Å; F265-F276 PolarHBondContact N-O 2.93Å; F265-F276 PolarHBondContact O-N 2.82Å; F265-L282 HydrophobicContact CB-CB 3.98Å; F265-L282 HydrophobicContact CB-CD2 3.88Å; F265-L282 HydrophobicContact CB-CG 4.48Å; F265-L282 HydrophobicContact CD1-CD2 4.36Å
266V59.3Low62.7Low70 Ų7079.3 Ų79.342%0.42440%0.403SS..EExtended strand (participates in β ladder)trans-92.8134.6177.9-171.90000109.3P264 N268 R275P264-V266 PolarHBondContact O-N 2.83Å; V266-N268 PolarHBondContact O-N 2.88Å; V266-R275 HydrophobicContact CG1-CG 4.29Å; V266-R275 HydrophobicContact CG2-CG 4.08Å
267C70.1Confident62.6Low3 Ų380.1 Ų80.12%0.0241%0.408CS..  trans-68.1112.4165.2-171.60000108.7W269 C272 K274 F276 L282 H285 H289C267-W269 PolarHBondContact O-N 3.46Å; C267-W269 VanDerWaalsContact O-N 3.08Å; C267-W269 WeakPolarHBondContact SG-CB 3.4Å; C267-C272 HydrophobicContact CB-CB 4.3Å; C267-K274 HydrophobicContact CB-CB 4.44Å; C267-K274 WeakPolarHBondContact CB-O 3.46Å; C267-K274 PolarHBondContact N-O 3.29Å; C267-F276 HydrophobicContact CB-CE2 4.39Å; C267-L282 HydrophobicContact CB-CD1 4.02Å; C267-H285 WeakPolarHBondContact CB-NE2 3.08Å; C267-H285 PolarHBondContact SG-CD2 3.46Å; C267-H285 PolarHBondContact SG-NE2 3.16Å; C267-H289 PolarHBondContact SG-NE2 2.87Å; C267-H289 VanDerWaalsContact SG-NE2 3.43Å
268N61.2Low62.6Low163 Ų16381.1 Ų81.187%0.87241%0.412SS*.  trans-72.67.7177.4-158.536.3000113V266 L270V266-N268 PolarHBondContact O-N 2.88Å; N268-L270 PolarHBondContact O-N 3.15Å
269W57.6Low63.1Low63 Ų6376.6 Ų76.624%0.23941%0.405CS..  trans-73.6114.9170.5-165.5-83.8000108.9M96 C267 F271 C272 G273 H289M96-W269 HydrophobicContact CE-CD2 4.46Å; M96-W269 HydrophobicContact CE-CE3 3.77Å; M96-W269 HydrophobicContact CE-CH2 3.22Å; M96-W269 HydrophobicContact CE-CZ2 3.96Å; M96-W269 HydrophobicContact CE-CZ3 3.11Å; M96-W269 HydrophobicContact SD-CH2 3.66Å; M96-W269 HydrophobicContact SD-CZ3 3.99Å; C267-W269 PolarHBondContact O-N 3.46Å; C267-W269 VanDerWaalsContact O-N 3.08Å; C267-W269 WeakPolarHBondContact SG-CB 3.4Å; W269-F271 PolarHBondContact O-N 3.49Å; W269-C272 HydrophobicContact CB-CB 3.87Å; W269-C272 HydrophobicContact CG-CB 4.31Å; W269-C272 PolarHBondContact O-N 2.98Å; W269-G273 PolarHBondContact O-N 3.38Å; W269-H289 AromaticContact CD1-CE1 3.49Å; W269-H289 VanDerWaalsContact CD1-CE1 3.49Å; W269-H289 AromaticContact CD1-ND1 3.72Å; W269-H289 HydrophobicContact CD2-CB 4.05Å; W269-H289 AromaticContact CD2-CE1 3.8Å; W269-H289 AromaticContact CD2-CG 3.6Å; W269-H289 AromaticContact CD2-ND1 3.36Å; W269-H289 AromaticContact CE2-ND1 3.53Å; W269-H289 HydrophobicContact CE3-CB 3.57Å; W269-H289 AromaticContact CE3-CG 3.6Å; W269-H289 AromaticContact CE3-ND1 3.85Å; W269-H289 AromaticContact CG-CE1 3.4Å; W269-H289 VanDerWaalsContact CG-CE1 3.4Å; W269-H289 AromaticContact CG-CG 3.92Å; W269-H289 AromaticContact CG-ND1 3.52Å; W269-H289 AromaticContact CG-NE2 3.75Å; W269-H289 HydrophobicContact CH2-CB 4.12Å; W269-H289 HydrophobicContact CZ3-CB 3.6Å; W269-H289 AromaticContact NE1-CE1 3.91Å; W269-H289 AromaticContact NE1-ND1 3.74Å
270L60.4Low63.6Low151 Ų15176.5 Ų76.579%0.79141%0.406SS*.THydrogen-bonded Turntrans-49.4-34.7-170.3-17065.5000113.7N268N268-L270 PolarHBondContact O-N 3.15Å
271F61.2Low64.3Low134 Ų13478.4 Ų78.459%0.58841%0.411SS*.THydrogen-bonded Turntrans-93.9-8.8-179.3-59.7-74.1000115.2H58 W269H58-F271 AromaticContact CE1-CD1 3.59Å; H58-F271 AromaticContact CE1-CG 3.5Å; H58-F271 VanDerWaalsContact CE1-CG 3.5Å; H58-F271 WeakPolarHBondContact CE1-CG 3.48Å; H58-F271 AromaticContact ND1-CD1 3.98Å; W269-F271 PolarHBondContact O-N 3.49Å
272C67.1Low65.3Low28 Ų2876.9 Ų76.919%0.18939%0.39CS..THydrogen-bonded Turntrans-91.7-46.1-174.8-153.50000112C267 W269 K274 H285 H289C267-C272 HydrophobicContact CB-CB 4.3Å; W269-C272 HydrophobicContact CB-CB 3.87Å; W269-C272 HydrophobicContact CG-CB 4.31Å; W269-C272 PolarHBondContact O-N 2.98Å; C272-K274 WeakPolarHBondContact O-CG 3.33Å; C272-K274 PolarHBondContact O-N 2.95Å; C272-K274 WeakPolarHBondContact SG-CD 3.45Å; C272-K274 VanDerWaalsContact SG-CG 3.55Å; C272-H285 PolarHBondContact SG-CE1 3.06Å; C272-H285 PolarHBondContact SG-NE2 3.14Å; C272-H289 WeakPolarHBondContact CB-NE2 3.49Å; C272-H289 PolarHBondContact SG-NE2 3.07Å; C272-H289 VanDerWaalsContact SG-NE2 3.43Å
273G62.9Low66.4Low52 Ų5277.2 Ų77.254%0.53639%0.391SS..  trans55.48.7-179.900000115W269 R275W269-G273 PolarHBondContact O-N 3.38Å; G273-R275 PolarHBondContact O-N 3.29Å
274K67.4Low67.3Low115 Ų11575.8 Ų75.850%0.538%0.384SS..  trans-73.4129.2-172.2-74.1-178.3-167.8176.40109.8C267 C272 F276C267-K274 HydrophobicContact CB-CB 4.44Å; C267-K274 WeakPolarHBondContact CB-O 3.46Å; C267-K274 PolarHBondContact N-O 3.29Å; C272-K274 WeakPolarHBondContact O-CG 3.33Å; C272-K274 PolarHBondContact O-N 2.95Å; C272-K274 WeakPolarHBondContact SG-CD 3.45Å; C272-K274 VanDerWaalsContact SG-CG 3.55Å; K274-F276 HydrophobicContact CB-CE2 3.6Å; K274-F276 HydrophobicContact CB-CZ 3.68Å; K274-F276 HydrophobicContact CD-CZ 4.29Å
275R66Low68.1Low133 Ų13372.7 Ų72.750%0.50236%0.362SS..EExtended strand (participates in β ladder)trans-108.1129.1-179.1-56.7-176.470.61675.5110.1K263 F265 V266 G273K263-R275 HydrophobicContact CB-CB 3.53Å; K263-R275 HydrophobicContact CD-CB 3.57Å; K263-R275 WeakPolarHBondContact CD-O 3.38Å; K263-R275 HydrophobicContact CG-CB 4.21Å; K263-R275 PolarHBondContact NZ-O 3.35Å; K263-R275 PolarHBondContact O-NE 2.74Å; K263-R275 PolarHBondContact O-NH2 3.22Å; F265-R275 CarbonylContact O-C 3.56Å; F265-R275 WeakPolarHBondContact O-CA 3.31Å; V266-R275 HydrophobicContact CG1-CG 4.29Å; V266-R275 HydrophobicContact CG2-CG 4.08Å; G273-R275 PolarHBondContact O-N 3.29Å
276F68.4Low68.9Low32 Ų3272.3 Ų72.314%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-117.7151-175.6-59.1-79.2000111.3F265 C267 K274 E281 L282 H285F265-F276 HydrophobicContact CB-CB 4.15Å; F265-F276 WeakPolarHBondContact CB-O 3.39Å; F265-F276 PolarHBondContact N-O 2.93Å; F265-F276 PolarHBondContact O-N 2.82Å; C267-F276 HydrophobicContact CB-CE2 4.39Å; K274-F276 HydrophobicContact CB-CE2 3.6Å; K274-F276 HydrophobicContact CB-CZ 3.68Å; K274-F276 HydrophobicContact CD-CZ 4.29Å; F276-E281 HydrophobicContact CB-CB 4.17Å; F276-E281 HydrophobicContact CB-CG 4.29Å; F276-E281 HydrophobicContact CD1-CB 4.02Å; F276-E281 HydrophobicContact CD1-CG 3.24Å; F276-E281 HydrophobicContact CE1-CG 3.79Å; F276-E281 HydrophobicContact CG-CB 4.3Å; F276-E281 HydrophobicContact CG-CG 4Å; F276-L282 HydrophobicContact CB-CB 4.41Å; F276-L282 HydrophobicContact CD2-CB 4.11Å; F276-L282 HydrophobicContact CD2-CD1 3.88Å; F276-L282 HydrophobicContact CE2-CD1 4.19Å; F276-L282 HydrophobicContact CG-CB 4.49Å; F276-H285 HydrophobicContact CE1-CB 4.07Å; F276-H285 HydrophobicContact CE2-CB 3.67Å; F276-H285 AromaticContact CE2-CD2 3.16Å; F276-H285 WeakPolarHBondContact CE2-CD2 3.48Å; F276-H285 AromaticContact CE2-CG 3.43Å; F276-H285 VanDerWaalsContact CE2-CG 3.43Å; F276-H285 AromaticContact CE2-NE2 3.92Å; F276-H285 HydrophobicContact CZ-CB 3.38Å; F276-H285 AromaticContact CZ-CD2 3.44Å; F276-H285 VanDerWaalsContact CZ-CD2 3.44Å; F276-H285 WeakPolarHBondContact CZ-CD2 3.37Å; F276-H285 AromaticContact CZ-CG 3.2Å; F276-H285 AromaticContact CZ-ND1 3.81Å
277T64.9Low69.5Low30 Ų3072.6 Ų72.618%0.18436%0.356CS..SBendtrans-87.8-15.7-179.151.90000112.9R257 W258 K263R257-T277 PolarHBondContact NH1-O 3.33Å; W258-T277 HydrophobicContact CB-CG2 4.48Å; K263-T277 HydrophobicContact CG-CG2 4.16Å
278R69.6Low69.6Low101 Ų10176.1 Ų76.138%0.38138%0.378SS..SBendtrans-136.1146.7-178.1-54.6171.955.5133.8-2.4111.4A254 D280 E281 L282A254-R278 HydrophobicContact CB-CG 4.5Å; R278-D280 VanDerWaalsContact C-N 3.34Å; R278-D280 WeakPolarHBondContact CB-OD1 3.45Å; R278-D280 IonicContact CZ-OD1 3.37Å; R278-D280 IonicContact CZ-OD2 3.31Å; R278-D280 IonicContact NE-OD1 2.68Å; R278-D280 PolarHBondContact NE-OD1 3.27Å; R278-D280 IonicContact NE-OD2 2.78Å; R278-D280 IonicContact NH2-OD1 3.45Å; R278-D280 PolarHBondContact NH2-OD1 2.6Å; R278-D280 IonicContact NH2-OD2 3.48Å; R278-D280 PolarHBondContact O-N 2.83Å; R278-E281 PolarHBondContact O-N 2.68Å; R278-L282 PolarHBondContact O-N 3.48Å
279S76.2Confident70Confident64 Ų6470.1 Ų70.145%0.44835%0.345SS..Hα-helixtrans-64.7-37178.454.70000112.2E281 L282 Q283S279-E281 PolarHBondContact O-N 3.49Å; S279-L282 PolarHBondContact O-N 2.78Å; S279-Q283 WeakPolarHBondContact O-CB 3.45Å; S279-Q283 WeakPolarHBondContact O-CG 3.41Å; S279-Q283 PolarHBondContact O-N 3.42Å
280D76.1Confident70.5Confident57 Ų5772.5 Ų72.531%0.30537%0.366SS..Hα-helixtrans-63.9-31.3177.960-69.8000112.6R278 R284R278-D280 VanDerWaalsContact C-N 3.34Å; R278-D280 WeakPolarHBondContact CB-OD1 3.45Å; R278-D280 IonicContact CZ-OD1 3.37Å; R278-D280 IonicContact CZ-OD2 3.31Å; R278-D280 IonicContact NE-OD1 2.68Å; R278-D280 PolarHBondContact NE-OD1 3.27Å; R278-D280 IonicContact NE-OD2 2.78Å; R278-D280 IonicContact NH2-OD1 3.45Å; R278-D280 PolarHBondContact NH2-OD1 2.6Å; R278-D280 IonicContact NH2-OD2 3.48Å; R278-D280 PolarHBondContact O-N 2.83Å; D280-R284 WeakPolarHBondContact O-CB 2.97Å; D280-R284 PolarHBondContact O-N 3.22Å; D280-R284 IonicContact OD2-NH2 3.92Å
281E75.1Confident70.7Confident64 Ų6467.1 Ų67.130%0.29935%0.347SS..Hα-helixtrans-73-43.2174.4-166.665.9-128.200111.3F276 R278 S279 Q283 R284 H285F276-E281 HydrophobicContact CB-CB 4.17Å; F276-E281 HydrophobicContact CB-CG 4.29Å; F276-E281 HydrophobicContact CD1-CB 4.02Å; F276-E281 HydrophobicContact CD1-CG 3.24Å; F276-E281 HydrophobicContact CE1-CG 3.79Å; F276-E281 HydrophobicContact CG-CB 4.3Å; F276-E281 HydrophobicContact CG-CG 4Å; R278-E281 PolarHBondContact O-N 2.68Å; S279-E281 PolarHBondContact O-N 3.49Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.74Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-R284 IonicContact OE1-CZ 3.55Å; E281-R284 IonicContact OE1-NH1 2.6Å; E281-R284 PolarHBondContact OE1-NH1 3.31Å; E281-R284 IonicContact OE2-CZ 3.53Å; E281-R284 IonicContact OE2-NH1 3.35Å; E281-R284 PolarHBondContact OE2-NH1 3.25Å; E281-R284 IonicContact OE2-NH2 2.93Å; E281-H285 VanDerWaalsContact O-CB 3.31Å; E281-H285 WeakPolarHBondContact O-CB 3.23Å; E281-H285 PolarHBondContact O-N 2.86Å
282L78.7Confident70.8Confident23 Ų2363 Ų6312%0.1233%0.331CS..Hα-helixtrans-60.4-45.4173.6175.163000111F265 C267 F276 R278 S279 R284 H285 L286F265-L282 HydrophobicContact CB-CB 3.98Å; F265-L282 HydrophobicContact CB-CD2 3.88Å; F265-L282 HydrophobicContact CB-CG 4.48Å; F265-L282 HydrophobicContact CD1-CD2 4.36Å; C267-L282 HydrophobicContact CB-CD1 4.02Å; F276-L282 HydrophobicContact CB-CB 4.41Å; F276-L282 HydrophobicContact CD2-CB 4.11Å; F276-L282 HydrophobicContact CD2-CD1 3.88Å; F276-L282 HydrophobicContact CE2-CD1 4.19Å; F276-L282 HydrophobicContact CG-CB 4.49Å; R278-L282 PolarHBondContact O-N 3.48Å; S279-L282 PolarHBondContact O-N 2.78Å; L282-R284 VanDerWaalsContact C-N 3.28Å; L282-R284 PolarHBondContact O-N 3.23Å; L282-H285 CarbonylContact O-C 3.53Å; L282-H285 WeakPolarHBondContact O-CB 3.37Å; L282-H285 PolarHBondContact O-N 3.42Å; L282-H285 VanDerWaalsContact O-N 3.12Å; L282-L286 HydrophobicContact CD1-CD1 4.27Å; L282-L286 HydrophobicContact CD1-CG 4.09Å; L282-L286 HydrophobicContact CG-CD1 4.06Å; L282-L286 HydrophobicContact CG-CG 4.34Å; L282-L286 WeakPolarHBondContact O-CG 3.1Å; L282-L286 PolarHBondContact O-N 2.94Å
283Q74.4Confident70.9Confident110 Ų11066 Ų6651%0.51434%0.341SS..Hα-helixtrans-61.9-34.9177-74.7-65.4-26.500112.8S279 E281 R287S279-Q283 WeakPolarHBondContact O-CB 3.45Å; S279-Q283 WeakPolarHBondContact O-CG 3.41Å; S279-Q283 PolarHBondContact O-N 3.42Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.74Å; Q283-R287 PolarHBondContact O-N 2.87Å; Q283-R287 PolarHBondContact O-NE 3.24Å; Q283-R287 VanDerWaalsContact O-NE 3.17Å
284R74.9Confident71.5Confident56 Ų5670.4 Ų70.421%0.21134%0.342CS..Hα-helixtrans-72.4-37.7174.2-164-177.1-471267.6111.6D280 E281 L282 R287 R306D280-R284 WeakPolarHBondContact O-CB 2.97Å; D280-R284 PolarHBondContact O-N 3.22Å; D280-R284 IonicContact OD2-NH2 3.92Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-R284 IonicContact OE1-CZ 3.55Å; E281-R284 IonicContact OE1-NH1 2.6Å; E281-R284 PolarHBondContact OE1-NH1 3.31Å; E281-R284 IonicContact OE2-CZ 3.53Å; E281-R284 IonicContact OE2-NH1 3.35Å; E281-R284 PolarHBondContact OE2-NH1 3.25Å; E281-R284 IonicContact OE2-NH2 2.93Å; L282-R284 VanDerWaalsContact C-N 3.28Å; L282-R284 PolarHBondContact O-N 3.23Å; R284-R287 WeakPolarHBondContact O-CB 3.43Å; R284-R287 PolarHBondContact O-N 3.17Å; R284-R306 HydrophobicContact CG-CG 4.17Å
285H80.3Confident71.8Confident14 Ų1468.1 Ų68.17%0.06533%0.331CS..Hα-helixtrans-69.2-39.2176.1171.656.9000112.4C267 C272 F276 E281 L282 R287 T288 H289C267-H285 WeakPolarHBondContact CB-NE2 3.08Å; C267-H285 PolarHBondContact SG-CD2 3.46Å; C267-H285 PolarHBondContact SG-NE2 3.16Å; C272-H285 PolarHBondContact SG-CE1 3.06Å; C272-H285 PolarHBondContact SG-NE2 3.14Å; F276-H285 HydrophobicContact CE1-CB 4.07Å; F276-H285 HydrophobicContact CE2-CB 3.67Å; F276-H285 AromaticContact CE2-CD2 3.16Å; F276-H285 WeakPolarHBondContact CE2-CD2 3.48Å; F276-H285 AromaticContact CE2-CG 3.43Å; F276-H285 VanDerWaalsContact CE2-CG 3.43Å; F276-H285 AromaticContact CE2-NE2 3.92Å; F276-H285 HydrophobicContact CZ-CB 3.38Å; F276-H285 AromaticContact CZ-CD2 3.44Å; F276-H285 VanDerWaalsContact CZ-CD2 3.44Å; F276-H285 WeakPolarHBondContact CZ-CD2 3.37Å; F276-H285 AromaticContact CZ-CG 3.2Å; F276-H285 AromaticContact CZ-ND1 3.81Å; E281-H285 VanDerWaalsContact O-CB 3.31Å; E281-H285 WeakPolarHBondContact O-CB 3.23Å; E281-H285 PolarHBondContact O-N 2.86Å; L282-H285 CarbonylContact O-C 3.53Å; L282-H285 WeakPolarHBondContact O-CB 3.37Å; L282-H285 PolarHBondContact O-N 3.42Å; L282-H285 VanDerWaalsContact O-N 3.12Å; H285-R287 PolarHBondContact O-N 3.3Å; H285-T288 PolarHBondContact ND1-OG1 3.22Å; H285-T288 WeakPolarHBondContact O-CA 3.37Å; H285-T288 VanDerWaalsContact O-CB 3.27Å; H285-T288 WeakPolarHBondContact O-CB 3.29Å; H285-T288 PolarHBondContact O-N 2.58Å; H285-T288 PolarHBondContact O-OG1 3.37Å; H285-H289 AromaticContact CE1-CD2 3.9Å; H285-H289 AromaticContact CE1-NE2 3.29Å; H285-H289 PolarHBondContact CE1-NE2 3.32Å; H285-H289 VanDerWaalsContact CE1-NE2 3.29Å; H285-H289 AromaticContact NE2-CD2 3.75Å; H285-H289 AromaticContact NE2-NE2 3.16Å; H285-H289 PolarHBondContact NE2-NE2 3.5Å; H285-H289 VanDerWaalsContact NE2-NE2 3.16Å
286L74.3Confident72.4Confident55 Ų5564.1 Ų64.129%0.28833%0.327SS..Hα-helixtrans-60.2-34.8175.9-73.2169.6000111.7L282 T288 H289 T290L282-L286 HydrophobicContact CD1-CD1 4.27Å; L282-L286 HydrophobicContact CD1-CG 4.09Å; L282-L286 HydrophobicContact CG-CD1 4.06Å; L282-L286 HydrophobicContact CG-CG 4.34Å; L282-L286 WeakPolarHBondContact O-CG 3.1Å; L282-L286 PolarHBondContact O-N 2.94Å; L286-T288 PolarHBondContact O-N 3Å; L286-T288 VanDerWaalsContact O-N 3.16Å; L286-H289 WeakPolarHBondContact O-CB 3.49Å; L286-H289 PolarHBondContact O-N 2.92Å; L286-T290 PolarHBondContact O-N 2.95Å; L286-T290 PolarHBondContact O-OG1 3.1Å
287R73Confident73.1Confident76 Ų7662.9 Ų62.929%0.28732%0.323SS..Hα-helixtrans-59.6-25.6171.2-70.2177.1-108.5-163.7-7.3113.3Q283 R284 H285 H289 G291 D292 M305Q283-R287 PolarHBondContact O-N 2.87Å; Q283-R287 PolarHBondContact O-NE 3.24Å; Q283-R287 VanDerWaalsContact O-NE 3.17Å; R284-R287 WeakPolarHBondContact O-CB 3.43Å; R284-R287 PolarHBondContact O-N 3.17Å; H285-R287 PolarHBondContact O-N 3.3Å; R287-H289 VanDerWaalsContact C-N 3.28Å; R287-G291 PolarHBondContact O-N 2.72Å; R287-G291 VanDerWaalsContact O-N 3.12Å; R287-D292 PolarHBondContact O-N 3.4Å; R287-M305 HydrophobicContact CB-CG 3.9Å; R287-M305 HydrophobicContact CB-SD 3.9Å; R287-M305 WeakPolarHBondContact O-CE 3.36Å
288T72.9Confident73.8Confident77 Ų7766.7 Ų66.747%0.47236%0.357SS..Hα-helixtrans-69.3-27.4173.669.70000113H285 L286 M305H285-T288 PolarHBondContact ND1-OG1 3.22Å; H285-T288 WeakPolarHBondContact O-CA 3.37Å; H285-T288 VanDerWaalsContact O-CB 3.27Å; H285-T288 WeakPolarHBondContact O-CB 3.29Å; H285-T288 PolarHBondContact O-N 2.58Å; H285-T288 PolarHBondContact O-OG1 3.37Å; L286-T288 PolarHBondContact O-N 3Å; L286-T288 VanDerWaalsContact O-N 3.16Å; T288-M305 VanDerWaalsContact CA-SD 3.57Å; T288-M305 HydrophobicContact CG2-CE 4.26Å; T288-M305 HydrophobicContact CG2-SD 3.4Å; T288-M305 WeakPolarHBondContact CG2-SD 3.34Å; T288-M305 PolarHBondContact N-SD 3.28Å; T288-M305 VanDerWaalsContact N-SD 3.43Å
289H69.6Low74.2Confident38 Ų3868 Ų6818%0.17637%0.367CS..Hα-helixtrans-79-41.8174.1-70.6-63.5000112.2C267 W269 C272 H285 L286 R287 G291C267-H289 PolarHBondContact SG-NE2 2.87Å; C267-H289 VanDerWaalsContact SG-NE2 3.43Å; W269-H289 AromaticContact CD1-CE1 3.49Å; W269-H289 VanDerWaalsContact CD1-CE1 3.49Å; W269-H289 AromaticContact CD1-ND1 3.72Å; W269-H289 HydrophobicContact CD2-CB 4.05Å; W269-H289 AromaticContact CD2-CE1 3.8Å; W269-H289 AromaticContact CD2-CG 3.6Å; W269-H289 AromaticContact CD2-ND1 3.36Å; W269-H289 AromaticContact CE2-ND1 3.53Å; W269-H289 HydrophobicContact CE3-CB 3.57Å; W269-H289 AromaticContact CE3-CG 3.6Å; W269-H289 AromaticContact CE3-ND1 3.85Å; W269-H289 AromaticContact CG-CE1 3.4Å; W269-H289 VanDerWaalsContact CG-CE1 3.4Å; W269-H289 AromaticContact CG-CG 3.92Å; W269-H289 AromaticContact CG-ND1 3.52Å; W269-H289 AromaticContact CG-NE2 3.75Å; W269-H289 HydrophobicContact CH2-CB 4.12Å; W269-H289 HydrophobicContact CZ3-CB 3.6Å; W269-H289 AromaticContact NE1-CE1 3.91Å; W269-H289 AromaticContact NE1-ND1 3.74Å; C272-H289 WeakPolarHBondContact CB-NE2 3.49Å; C272-H289 PolarHBondContact SG-NE2 3.07Å; C272-H289 VanDerWaalsContact SG-NE2 3.43Å; H285-H289 AromaticContact CE1-CD2 3.9Å; H285-H289 AromaticContact CE1-NE2 3.29Å; H285-H289 PolarHBondContact CE1-NE2 3.32Å; H285-H289 VanDerWaalsContact CE1-NE2 3.29Å; H285-H289 AromaticContact NE2-CD2 3.75Å; H285-H289 AromaticContact NE2-NE2 3.16Å; H285-H289 PolarHBondContact NE2-NE2 3.5Å; H285-H289 VanDerWaalsContact NE2-NE2 3.16Å; L286-H289 WeakPolarHBondContact O-CB 3.49Å; L286-H289 PolarHBondContact O-N 2.92Å; R287-H289 VanDerWaalsContact C-N 3.28Å; H289-G291 PolarHBondContact O-N 3.03Å
290T67.5Low74.5Confident112 Ų11267.5 Ų67.569%0.68736%0.363SS*.Hα-helixtrans-75.2-11.6-179.4-37.40000113.1L286 D292L286-T290 PolarHBondContact O-N 2.95Å; L286-T290 PolarHBondContact O-OG1 3.1Å; T290-D292 PolarHBondContact O-N 3.48Å; T290-D292 VanDerWaalsContact O-N 3.17Å
291G64.3Low74.6Confident38 Ų3867.2 Ų67.239%0.39237%0.373SS..THydrogen-bonded Turntrans66.114.1-176.100000113.9R287 H289 K293R287-G291 PolarHBondContact O-N 2.72Å; R287-G291 VanDerWaalsContact O-N 3.12Å; H289-G291 PolarHBondContact O-N 3.03Å; G291-K293 PolarHBondContact O-N 3.12Å
292D63.1Low74.9Confident49 Ų4970 Ų7026%0.26239%0.385SS..  trans-72.596.7-172-172.7-1.9000111R287 T290 R294R287-D292 PolarHBondContact O-N 3.4Å; T290-D292 PolarHBondContact O-N 3.48Å; T290-D292 VanDerWaalsContact O-N 3.17Å; D292-R294 PolarHBondContact O-N 3.18Å; D292-R294 WeakPolarHBondContact OD1-CG 3.5Å; D292-R294 IonicContact OD1-NE 3.64Å; D292-R294 IonicContact OD2-CZ 3.21Å; D292-R294 IonicContact OD2-NE 2.73Å; D292-R294 PolarHBondContact OD2-NE 2.9Å; D292-R294 IonicContact OD2-NH2 2.81Å; D292-R294 PolarHBondContact OD2-NH2 3.46Å
293K70.1Confident74.9Confident90 Ų9075.9 Ų75.939%0.39141%0.405SS..  trans-95.388.2176.6-63.6170177.1-172.30109.5G291 R303 F304G291-K293 PolarHBondContact O-N 3.12Å; K293-R303 HydrophobicContact CB-CB 3.54Å; K293-R303 HydrophobicContact CD-CB 4.05Å; K293-R303 WeakPolarHBondContact CD-O 3.38Å; K293-R303 HydrophobicContact CG-CB 4.4Å; K293-R303 PolarHBondContact O-NE 3.29Å; K293-R303 PolarHBondContact O-NH2 3.24Å; K293-F304 CarbonylContact C-O 3.41Å; K293-F304 WeakPolarHBondContact CA-O 3.31Å
294R75.1Confident75Confident145 Ų14572.9 Ų72.955%0.54739%0.39SS..  trans-76.6-23.5-176.9-61.6-172.9-176.2-178.30.3114.8D292 F304D292-R294 PolarHBondContact O-N 3.18Å; D292-R294 WeakPolarHBondContact OD1-CG 3.5Å; D292-R294 IonicContact OD1-NE 3.64Å; D292-R294 IonicContact OD2-CZ 3.21Å; D292-R294 IonicContact OD2-NE 2.73Å; D292-R294 PolarHBondContact OD2-NE 2.9Å; D292-R294 IonicContact OD2-NH2 2.81Å; D292-R294 PolarHBondContact OD2-NH2 3.46Å; R294-F304 PolarHBondContact N-O 3.39Å
295F72.7Confident75Confident66 Ų6672 Ų7229%0.28939%0.389SS..EExtended strand (participates in β ladder)trans-104.3101.6-169.8-61-78.2000111R303 F304 R306 L310F295-R303 CarbonylContact O-C 3.49Å; F295-R303 WeakPolarHBondContact O-CA 3.4Å; F295-F304 HydrophobicContact CB-CB 4.28Å; F295-F304 WeakPolarHBondContact CB-O 3.48Å; F295-F304 PolarHBondContact N-O 3.04Å; F295-F304 PolarHBondContact O-N 3.32Å; F295-R306 VanDerWaalsContact CD2-C 3.43Å; F295-L310 HydrophobicContact CB-CB 4.06Å; F295-L310 HydrophobicContact CB-CD2 3.85Å; F295-L310 HydrophobicContact CB-CG 4.48Å; F295-L310 HydrophobicContact CD1-CD2 4.47Å
296A78.8Confident74.8Confident50 Ų5075.2 Ų75.241%0.41340%0.401SS..EExtended strand (participates in β ladder)trans-87.7140.5174.300000110.9K302 R303A296-K302 CarbonylContact C-O 3.55Å; A296-K302 WeakPolarHBondContact CA-O 3.5Å; A296-R303 HydrophobicContact CB-CG 4.29Å
297C82.5Confident75.2Confident6 Ų676 Ų764%0.04141%0.411CS..  trans-76.8124.8168.4-177.10000110.3Q299 C300 G301 K302 F304 L310 H317C297-Q299 PolarHBondContact O-N 3.29Å; C297-C300 VanDerWaalsContact CB-SG 3.58Å; C297-C300 VanDerWaalsContact SG-SG 3.63Å; C297-G301 VanDerWaalsContact O-CA 3.27Å; C297-G301 WeakPolarHBondContact O-CA 3.49Å; C297-G301 PolarHBondContact O-N 3.43Å; C297-K302 PolarHBondContact N-O 3.17Å; C297-F304 HydrophobicContact CB-CE2 4.29Å; C297-L310 VanDerWaalsContact CA-CD1 3.48Å; C297-L310 HydrophobicContact CB-CD1 3.68Å; C297-H317 VanDerWaalsContact SG-CD2 3.56Å; C297-H317 PolarHBondContact SG-NE2 3.47Å
298A81.1Confident75.6Confident109 Ų10974.7 Ų74.790%0.90141%0.41SS*.THydrogen-bonded Turntrans-62.4-29.4179.400000113.2
299Q77.5Confident76.1Confident130 Ų13074.8 Ų74.861%0.60740%0.404SS*.THydrogen-bonded Turntrans-86.9-25.4-175.7-75.5173.1-43.900114.4C297 H317C297-Q299 PolarHBondContact O-N 3.29Å; Q299-H317 PolarHBondContact OE1-CD2 3.21Å
300C82.2Confident76.9Confident52 Ų5274.7 Ų74.735%0.35141%0.405SS..THydrogen-bonded Turntrans-136.73.3-175.370.30000114.7C297 K302 H313 H317C297-C300 VanDerWaalsContact CB-SG 3.58Å; C297-C300 VanDerWaalsContact SG-SG 3.63Å; C300-K302 PolarHBondContact O-N 3.18Å; C300-K302 VanDerWaalsContact SG-CB 3.59Å; C300-K302 WeakPolarHBondContact SG-CG 3.5Å; C300-H313 PolarHBondContact SG-NE2 2.78Å; C300-H317 PolarHBondContact SG-NE2 3.43Å
301G79.7Confident77.7Confident51 Ų5172.2 Ų72.253%0.52639%0.392SS..  trans69.1-3.1-179.700000115.5C297 R303C297-G301 VanDerWaalsContact O-CA 3.27Å; C297-G301 WeakPolarHBondContact O-CA 3.49Å; C297-G301 PolarHBondContact O-N 3.43Å; G301-R303 PolarHBondContact O-N 3.13Å
302K79.8Confident78.7Confident124 Ų12476.9 Ų76.954%0.53940%0.402SS..  trans-61.4127-178.4-71.2177.6-174.7-1800110.8A296 C297 C300 F304A296-K302 CarbonylContact C-O 3.55Å; A296-K302 WeakPolarHBondContact CA-O 3.5Å; C297-K302 PolarHBondContact N-O 3.17Å; C300-K302 PolarHBondContact O-N 3.18Å; C300-K302 VanDerWaalsContact SG-CB 3.59Å; C300-K302 WeakPolarHBondContact SG-CG 3.5Å; K302-F304 HydrophobicContact CB-CE2 3.75Å; K302-F304 HydrophobicContact CB-CZ 3.94Å; K302-F304 WeakPolarHBondContact O-CD2 3.49Å; K302-F304 VanDerWaalsContact O-CE2 3.3Å; K302-F304 WeakPolarHBondContact O-CE2 3.22Å
303R79Confident79.8Confident146 Ų14675.7 Ų75.755%0.55140%0.395SS*.EExtended strand (participates in β ladder)trans-96.3133.3-178.7-52-17568.7109.6-1.2111.7K293 F295 A296 G301K293-R303 HydrophobicContact CB-CB 3.54Å; K293-R303 HydrophobicContact CD-CB 4.05Å; K293-R303 WeakPolarHBondContact CD-O 3.38Å; K293-R303 HydrophobicContact CG-CB 4.4Å; K293-R303 PolarHBondContact O-NE 3.29Å; K293-R303 PolarHBondContact O-NH2 3.24Å; F295-R303 CarbonylContact O-C 3.49Å; F295-R303 WeakPolarHBondContact O-CA 3.4Å; A296-R303 HydrophobicContact CB-CG 4.29Å; G301-R303 PolarHBondContact O-N 3.13Å
304F76.7Confident80.4Confident46 Ų4673.3 Ų73.320%0.20239%0.391CS..EExtended strand (participates in β ladder)trans-121.4149.8-179.2-59.7-86000110.4K293 R294 F295 C297 K302 H309 L310 H313K293-F304 CarbonylContact C-O 3.41Å; K293-F304 WeakPolarHBondContact CA-O 3.31Å; R294-F304 PolarHBondContact N-O 3.39Å; F295-F304 HydrophobicContact CB-CB 4.28Å; F295-F304 WeakPolarHBondContact CB-O 3.48Å; F295-F304 PolarHBondContact N-O 3.04Å; F295-F304 PolarHBondContact O-N 3.32Å; C297-F304 HydrophobicContact CB-CE2 4.29Å; K302-F304 HydrophobicContact CB-CE2 3.75Å; K302-F304 HydrophobicContact CB-CZ 3.94Å; K302-F304 WeakPolarHBondContact O-CD2 3.49Å; K302-F304 VanDerWaalsContact O-CE2 3.3Å; K302-F304 WeakPolarHBondContact O-CE2 3.22Å; F304-H309 HydrophobicContact CB-CB 4.3Å; F304-H309 HydrophobicContact CD1-CB 3.94Å; F304-H309 HydrophobicContact CG-CB 4.36Å; F304-L310 HydrophobicContact CB-CB 4.35Å; F304-L310 HydrophobicContact CD2-CB 4.03Å; F304-L310 HydrophobicContact CD2-CD1 3.82Å; F304-L310 HydrophobicContact CE2-CD1 4.09Å; F304-L310 HydrophobicContact CG-CB 4.36Å; F304-H313 HydrophobicContact CE1-CB 4.06Å; F304-H313 HydrophobicContact CE2-CB 3.92Å; F304-H313 AromaticContact CE2-CD2 3.29Å; F304-H313 WeakPolarHBondContact CE2-CD2 3.44Å; F304-H313 AromaticContact CE2-CG 3.65Å; F304-H313 HydrophobicContact CZ-CB 3.5Å; F304-H313 AromaticContact CZ-CD2 3.37Å; F304-H313 WeakPolarHBondContact CZ-CD2 3.32Å; F304-H313 AromaticContact CZ-CG 3.26Å; F304-H313 AromaticContact CZ-ND1 3.92Å
305M75.5Confident80.8Confident38 Ų3874.1 Ų74.119%0.18740%0.395CS..SBendtrans-81.1-20.8178-164.6173.2-70.500113R287 T288R287-M305 HydrophobicContact CB-CG 3.9Å; R287-M305 HydrophobicContact CB-SD 3.9Å; R287-M305 WeakPolarHBondContact O-CE 3.36Å; T288-M305 VanDerWaalsContact CA-SD 3.57Å; T288-M305 HydrophobicContact CG2-CE 4.26Å; T288-M305 HydrophobicContact CG2-SD 3.4Å; T288-M305 WeakPolarHBondContact CG2-SD 3.34Å; T288-M305 PolarHBondContact N-SD 3.28Å; T288-M305 VanDerWaalsContact N-SD 3.43Å
306R75.3Confident81.2Confident82 Ų8275.4 Ų75.431%0.30941%0.408SS..SBendtrans-132.6144.8-177.8-54.216543.3159.90.6110.9R284 F295 D308 H309 L310R284-R306 HydrophobicContact CG-CG 4.17Å; F295-R306 VanDerWaalsContact CD2-C 3.43Å; R306-D308 VanDerWaalsContact C-N 3.33Å; R306-D308 WeakPolarHBondContact CB-OD1 3.44Å; R306-D308 IonicContact CZ-OD1 3.5Å; R306-D308 IonicContact CZ-OD2 2.82Å; R306-D308 IonicContact NE-OD1 3.51Å; R306-D308 PolarHBondContact NE-OD1 3.25Å; R306-D308 IonicContact NE-OD2 3.64Å; R306-D308 PolarHBondContact NE-OD2 3.12Å; R306-D308 VanDerWaalsContact NH2-CG 3.29Å; R306-D308 IonicContact NH2-OD1 3.92Å; R306-D308 PolarHBondContact NH2-OD1 2.72Å; R306-D308 IonicContact NH2-OD2 3.8Å; R306-D308 PolarHBondContact NH2-OD2 3.23Å; R306-D308 PolarHBondContact O-N 2.88Å; R306-H309 VanDerWaalsContact CD-CD2 3.41Å; R306-H309 WeakPolarHBondContact CD-CD2 3.2Å; R306-H309 WeakPolarHBondContact CD-NE2 3.29Å; R306-H309 PolarHBondContact O-N 3.31Å; R306-L310 PolarHBondContact O-N 3.37Å
307S83Confident81.3Confident70 Ų7076.2 Ų76.249%0.4940%0.403SS..Hα-helixtrans-66.8-32.5178.954.50000112.8L310 S311S307-L310 WeakPolarHBondContact O-CB 3.15Å; S307-L310 PolarHBondContact O-N 2.74Å; S307-S311 WeakPolarHBondContact O-CB 3.39Å; S307-S311 PolarHBondContact O-N 2.85Å
308D82.2Confident80.8Confident50 Ų5080.4 Ų80.427%0.26743%0.428SS..Hα-helixtrans-69-34177.567.3-54.5000112.2R306 S311 K312R306-D308 VanDerWaalsContact C-N 3.33Å; R306-D308 WeakPolarHBondContact CB-OD1 3.44Å; R306-D308 IonicContact CZ-OD1 3.5Å; R306-D308 IonicContact CZ-OD2 2.82Å; R306-D308 IonicContact NE-OD1 3.51Å; R306-D308 PolarHBondContact NE-OD1 3.25Å; R306-D308 IonicContact NE-OD2 3.64Å; R306-D308 PolarHBondContact NE-OD2 3.12Å; R306-D308 VanDerWaalsContact NH2-CG 3.29Å; R306-D308 IonicContact NH2-OD1 3.92Å; R306-D308 PolarHBondContact NH2-OD1 2.72Å; R306-D308 IonicContact NH2-OD2 3.8Å; R306-D308 PolarHBondContact NH2-OD2 3.23Å; R306-D308 PolarHBondContact O-N 2.88Å; D308-S311 PolarHBondContact O-N 2.81Å; D308-K312 WeakPolarHBondContact O-CB 3.39Å; D308-K312 WeakPolarHBondContact O-CG 3.38Å; D308-K312 PolarHBondContact O-N 3.35Å
309H82.9Confident79.8Confident78 Ų7881.2 Ų81.236%0.36142%0.418SS..Hα-helixtrans-67.2-41.9170.7-68.2-49.4000111.7F304 R306 S311 K312 H313F304-H309 HydrophobicContact CB-CB 4.3Å; F304-H309 HydrophobicContact CD1-CB 3.94Å; F304-H309 HydrophobicContact CG-CB 4.36Å; R306-H309 VanDerWaalsContact CD-CD2 3.41Å; R306-H309 WeakPolarHBondContact CD-CD2 3.2Å; R306-H309 WeakPolarHBondContact CD-NE2 3.29Å; R306-H309 PolarHBondContact O-N 3.31Å; H309-S311 VanDerWaalsContact C-N 3.33Å; H309-S311 PolarHBondContact O-N 2.91Å; H309-K312 PolarHBondContact O-N 3.41Å; H309-H313 VanDerWaalsContact O-CB 3.23Å; H309-H313 WeakPolarHBondContact O-CB 3.46Å; H309-H313 PolarHBondContact O-N 3.46Å
310L86.6Confident78.8Confident37 Ų3781.5 Ų81.519%0.19442%0.422CS..Hα-helixtrans-59.7-44.6172.5172.866.2000111F295 C297 F304 R306 S307 H313 A314F295-L310 HydrophobicContact CB-CB 4.06Å; F295-L310 HydrophobicContact CB-CD2 3.85Å; F295-L310 HydrophobicContact CB-CG 4.48Å; F295-L310 HydrophobicContact CD1-CD2 4.47Å; C297-L310 VanDerWaalsContact CA-CD1 3.48Å; C297-L310 HydrophobicContact CB-CD1 3.68Å; F304-L310 HydrophobicContact CB-CB 4.35Å; F304-L310 HydrophobicContact CD2-CB 4.03Å; F304-L310 HydrophobicContact CD2-CD1 3.82Å; F304-L310 HydrophobicContact CE2-CD1 4.09Å; F304-L310 HydrophobicContact CG-CB 4.36Å; R306-L310 PolarHBondContact O-N 3.37Å; S307-L310 WeakPolarHBondContact O-CB 3.15Å; S307-L310 PolarHBondContact O-N 2.74Å; L310-H313 CarbonylContact O-C 3.53Å; L310-H313 WeakPolarHBondContact O-CB 3.1Å; L310-H313 PolarHBondContact O-N 3.13Å; L310-A314 WeakPolarHBondContact O-CB 3.28Å; L310-A314 PolarHBondContact O-N 3.44Å
311S84.1Confident77.2Confident60 Ų6089.2 Ų89.242%0.4244%0.443SS..Hα-helixtrans-64.2-44.9179.7-177.10000112.1S307 D308 H309 H313 A314 R315S307-S311 WeakPolarHBondContact O-CB 3.39Å; S307-S311 PolarHBondContact O-N 2.85Å; D308-S311 PolarHBondContact O-N 2.81Å; H309-S311 VanDerWaalsContact C-N 3.33Å; H309-S311 PolarHBondContact O-N 2.91Å; S311-H313 VanDerWaalsContact C-N 3.28Å; S311-H313 PolarHBondContact O-N 3.32Å; S311-A314 PolarHBondContact O-N 3Å; S311-R315 WeakPolarHBondContact O-CG 3.47Å; S311-R315 PolarHBondContact O-N 3.18Å
312K84.3Confident75.9Confident136 Ų13694.4 Ų94.459%0.59146%0.458SS*.Hα-helixtrans-60.8-39.4173-74.5177-179.8-179.90111.9D308 H309 R315D308-K312 WeakPolarHBondContact O-CB 3.39Å; D308-K312 WeakPolarHBondContact O-CG 3.38Å; D308-K312 PolarHBondContact O-N 3.35Å; H309-K312 PolarHBondContact O-N 3.41Å; K312-R315 WeakPolarHBondContact O-CB 3.22Å; K312-R315 PolarHBondContact O-N 2.85Å
313H86.7Confident74.5Confident24 Ų2494.8 Ų94.811%0.11147%0.471CS..Hα-helixtrans-69-38.8175.7172.958.9000112.5C300 F304 H309 L310 S311 R315 T316 H317C300-H313 PolarHBondContact SG-NE2 2.78Å; F304-H313 HydrophobicContact CE1-CB 4.06Å; F304-H313 HydrophobicContact CE2-CB 3.92Å; F304-H313 AromaticContact CE2-CD2 3.29Å; F304-H313 WeakPolarHBondContact CE2-CD2 3.44Å; F304-H313 AromaticContact CE2-CG 3.65Å; F304-H313 HydrophobicContact CZ-CB 3.5Å; F304-H313 AromaticContact CZ-CD2 3.37Å; F304-H313 WeakPolarHBondContact CZ-CD2 3.32Å; F304-H313 AromaticContact CZ-CG 3.26Å; F304-H313 AromaticContact CZ-ND1 3.92Å; H309-H313 VanDerWaalsContact O-CB 3.23Å; H309-H313 WeakPolarHBondContact O-CB 3.46Å; H309-H313 PolarHBondContact O-N 3.46Å; L310-H313 CarbonylContact O-C 3.53Å; L310-H313 WeakPolarHBondContact O-CB 3.1Å; L310-H313 PolarHBondContact O-N 3.13Å; S311-H313 VanDerWaalsContact C-N 3.28Å; S311-H313 PolarHBondContact O-N 3.32Å; H313-R315 PolarHBondContact O-N 3.46Å; H313-T316 PolarHBondContact ND1-OG1 3.38Å; H313-T316 WeakPolarHBondContact O-CA 3.42Å; H313-T316 WeakPolarHBondContact O-CB 3.25Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T316 PolarHBondContact O-OG1 2.9Å; H313-H317 AromaticContact CD2-NE2 3.81Å; H313-H317 AromaticContact CE1-CE1 3.82Å; H313-H317 AromaticContact CE1-NE2 3.38Å; H313-H317 PolarHBondContact CE1-NE2 3.1Å; H313-H317 AromaticContact NE2-CD2 3.88Å; H313-H317 AromaticContact NE2-CE1 3.76Å; H313-H317 AromaticContact NE2-NE2 2.98Å; H313-H317 PolarHBondContact NE2-NE2 3.46Å
314A82.4Confident72.9Confident39 Ų3997.2 Ų97.232%0.32249%0.485SS..Hα-helixtrans-59.7-34.617700000111.3L310 S311 T316 H317 V318L310-A314 WeakPolarHBondContact O-CB 3.28Å; L310-A314 PolarHBondContact O-N 3.44Å; S311-A314 PolarHBondContact O-N 3Å; A314-T316 PolarHBondContact O-N 3.22Å; A314-T316 VanDerWaalsContact O-N 3.16Å; A314-H317 PolarHBondContact O-N 2.91Å; A314-V318 PolarHBondContact O-N 3.32Å
315R84Confident71.2Confident163 Ų16397.7 Ų97.762%0.61550%0.503SS*.THydrogen-bonded Turntrans-63.9-14.8172.5-64.2178.7-171.1-168.1-1.1114.7S311 K312 H313S311-R315 WeakPolarHBondContact O-CG 3.47Å; S311-R315 PolarHBondContact O-N 3.18Å; K312-R315 WeakPolarHBondContact O-CB 3.22Å; K312-R315 PolarHBondContact O-N 2.85Å; H313-R315 PolarHBondContact O-N 3.46Å
316T82.2Confident69.8Low93 Ų93101.3 Ų101.357%0.57153%0.532SS*.THydrogen-bonded Turntrans-84.1-16.1174.865.70000112.7H313 A314H313-T316 PolarHBondContact ND1-OG1 3.38Å; H313-T316 WeakPolarHBondContact O-CA 3.42Å; H313-T316 WeakPolarHBondContact O-CB 3.25Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T316 PolarHBondContact O-OG1 2.9Å; A314-T316 PolarHBondContact O-N 3.22Å; A314-T316 VanDerWaalsContact O-N 3.16Å
317H79.1Confident68.1Low66 Ų66101 Ų10131%0.30656%0.555SS.*THydrogen-bonded Turntrans-88-32.8174.1-64.4-60.7000112.6C297 Q299 C300 H313 A314 D319C297-H317 VanDerWaalsContact SG-CD2 3.56Å; C297-H317 PolarHBondContact SG-NE2 3.47Å; Q299-H317 PolarHBondContact OE1-CD2 3.21Å; C300-H317 PolarHBondContact SG-NE2 3.43Å; H313-H317 AromaticContact CD2-NE2 3.81Å; H313-H317 AromaticContact CE1-CE1 3.82Å; H313-H317 AromaticContact CE1-NE2 3.38Å; H313-H317 PolarHBondContact CE1-NE2 3.1Å; H313-H317 AromaticContact NE2-CD2 3.88Å; H313-H317 AromaticContact NE2-CE1 3.76Å; H313-H317 AromaticContact NE2-NE2 2.98Å; H313-H317 PolarHBondContact NE2-NE2 3.46Å; A314-H317 PolarHBondContact O-N 2.91Å; H317-D319 VanDerWaalsContact C-N 3.32Å; H317-D319 PolarHBondContact O-N 2.84Å; H317-D319 VanDerWaalsContact O-N 3.14Å
318V73.8Confident66.1Low94 Ų94101.5 Ų101.557%0.5757%0.571SS**SBendtrans-81.487.6166.4-74.60000107.3A314 I320A314-V318 PolarHBondContact O-N 3.32Å; V318-I320 PolarHBondContact O-N 3.15Å; V318-I320 VanDerWaalsContact O-N 3.1Å
319D59.1Low64.3Low127 Ų127105.9 Ų105.968%0.67960%0.6SS**  trans-35.8119.1174.6-173.242.2000110H317 R321H317-D319 VanDerWaalsContact C-N 3.32Å; H317-D319 PolarHBondContact O-N 2.84Å; H317-D319 VanDerWaalsContact O-N 3.14Å; D319-R321 PolarHBondContact O-N 2.75Å
320I56.6Low62.3Low135 Ų135111.1 Ų111.169%0.69262%0.624SS**  trans-68.885.4-170.9-58.9169.9000107.7V318V318-I320 PolarHBondContact O-N 3.15Å; V318-I320 VanDerWaalsContact O-N 3.1Å
321R48Very low60.4Low214 Ų214113.6 Ų113.681%0.80865%0.65SS**  trans-11253.3156.5-68-168.2179.4-174.7-1.4109.4D319D319-R321 PolarHBondContact O-N 2.75Å
322L53.6Low58.6Low160 Ų160117.4 Ų117.484%0.83867%0.665SS**  trans-111.883.1155.5-88.2149.8000106.3K324L322-K324 PolarHBondContact O-N 2.91Å
323V50.1Low57.1Low133 Ų133115.7 Ų115.781%0.80667%0.671SS**  trans-43.8109166.81750000107.5G325V323-G325 PolarHBondContact O-N 2.89Å
324K45.4Very low55.2Low197 Ų197119 Ų11986%0.85770%0.702SS**  trans-76.872.5164.1-167.3170-175.4179.60106.9L322 S326L322-K324 PolarHBondContact O-N 2.91Å; K324-S326 PolarHBondContact O-N 2.81Å; K324-S326 VanDerWaalsContact O-N 3.1Å
325G39.9Very low53.6Low55 Ų55122.7 Ų122.757%0.56773%0.725SS**  trans-72.194.1171.200000108.1V323 G327V323-G325 PolarHBondContact O-N 2.89Å; G325-G327 PolarHBondContact O-N 2.93Å
326S46.4Very low51.6Low115 Ų115125.3 Ų125.380%0.80474%0.735SS**  trans-72106.3156-53.30000106.6K324K324-S326 PolarHBondContact O-N 2.81Å; K324-S326 VanDerWaalsContact O-N 3.1Å
327G39.3Very low50.2Low76 Ų76129.4 Ų129.478%0.78476%0.763SS**  trans113.2128.3172.200000113.8G325G325-G327 PolarHBondContact O-N 2.93Å
328G41.5Very low48.8Very low80 Ų80132.6 Ų132.683%0.82579%0.786SS**  trans147.8104.2172.100000112.1
329T43.7Very low47.5Very low142 Ų142134.6 Ų134.687%0.87180%0.798SS**  trans-63.6165.3-179.541.30000114.1
330Q40.8Very low46.8Very low188 Ų188135 Ų13588%0.87980%0.804SS**  trans-34167.4164.4-79169.7-2700116.2
331A48.1Very low46.3Very low88 Ų88135 Ų13573%0.72781%0.811SS**  trans94.3131.2172.300000111.8
332D46.1Very low46.1Very low141 Ų141130.1 Ų130.175%0.75481%0.811SS**  cis-176.31687.3-130.7-69000106.8
333S51.5Low45.6Very low100 Ų100128.1 Ų128.170%0.69981%0.809SS**  trans65.7102.6151-53.70000118.6
334A47.6Very low45.3Very low92 Ų92127.7 Ų127.776%0.7681%0.809SS**  90.3135.680.100000114.5
335S49.8Very low45.3Very low118 Ų118122.4 Ų122.483%0.82581%0.806SS**  trans90.396.4154.3-52.60000119.1
336R41.7Very low45.8Very low218 Ų218128 Ų12882%0.82383%0.826SS**  trans-69.6162147.5-72.8172.695-108.211.9110.2
337P52.8Low45.7Very low178 Ų178129.2 Ų129.2100%1.15683%0.827SS**  -81.30126.731.6-28.4000111.3

Retrieved 337 of 337 residues in 373.9 ms (Link to these results)