A0A096NIX8_PAPAN Loading...

Sperm microtubule inner protein 8

AlphaFold DB , UniProt , Accession A0A096NIX8, Species PAPAN (Papio anubis, Olive baboon), Gene SPMIP8, Length 300 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
1M37.2Very low36.2Very low247 Ų247143.9 Ų143.9100%1.21784%0.843SS**  0111.30-67.5-54.2-172.500108.1
2G29.9Very low36.3Very low77 Ų77143.9 Ų143.979%0.79484%0.835SS**  trans-135.9121.3179.800000109.9
3I33.6Very low36.3Very low174 Ų174144.5 Ų144.589%0.89283%0.832SS**  trans-114109.1171.7-61.8174.6000105.7
4V36.3Very low36.3Very low143 Ų143145.4 Ų145.487%0.86783%0.831SS**  trans-103.3121.5173.1179.50000107.6
5C33.3Very low36.2Very low99 Ų99142.4 Ų142.467%0.66982%0.823SS**  trans-81126.6-173.9-168.70000111.4Q7C5-Q7 PolarHBondContact O-N 2.93Å
6A38.3Very low36.4Very low105 Ų105142.4 Ų142.487%0.86882%0.817SS**  trans-88.281.5179.400000111.9
7Q39.3Very low36.3Very low173 Ų173144.3 Ų144.381%0.80882%0.819SS**  trans-127.369171.9-76.3-172.7-24.200111.6C5C5-Q7 PolarHBondContact O-N 2.93Å
8C36.8Very low36.2Very low124 Ų124150.2 Ų150.284%0.83883%0.826SS**  trans-146.76.4177.4-104.40000117.3
9S35.5Very low35.9Very low104 Ų104147.3 Ų147.373%0.72783%0.825SS**SBendtrans-103.3-7.2-171.2-47.80000116.1
10F36.4Very low35.7Very low189 Ų189149.3 Ų149.383%0.82983%0.827SS**SBendtrans-92.5-13.4-170.5-98.2-86.7000116
11I41.6Very low36.2Very low148 Ų148147 Ų14776%0.75982%0.819SS**SBendtrans-89.1-23.7-172.4-64179.7000112.8
12L37.3Very low36.5Very low144 Ų144140.7 Ų140.775%0.75480%0.796SS**THydrogen-bonded Turntrans-82.8-15.2-175.3-82.8163.6000115.4
13L36.7Very low36.5Very low152 Ų152144.7 Ų144.780%0.79679%0.794SS**THydrogen-bonded Turntrans-87.8-11.5-175.5-105156.9000114.7
14L35.9Very low36.2Very low156 Ų156146.9 Ų146.982%0.81780%0.797SS**SBendtrans-89.3-8.3-177.3-95.8151.4000114.4
15S35.6Very low35.9Very low101 Ų101147.3 Ų147.371%0.70679%0.794SS**SBendtrans-96.8-2.3-167.6-540000116
16I38.1Very low35.6Very low143 Ų143152.6 Ų152.673%0.73381%0.806SS**SBendtrans-106.8-18.5-169.2-63.4178.7000113.9R18I16-R18 PolarHBondContact O-N 2.84Å
17M35.2Very low35Very low174 Ų174153 Ų15386%0.85780%0.801SS**SBendtrans-95.837.9-169.6-68.3-59.5-61.800115.8
18R35Very low34.6Very low250 Ų250150.6 Ų150.694%0.94380%0.801SS**  trans-140.580.5174.1-103.7-174.4173.3166.9-2.1113.4I16I16-R18 PolarHBondContact O-N 2.84Å
19A30.6Very low34.1Very low96 Ų96152.9 Ų152.979%0.79380%0.804SS**  trans-160.1138.915600000112.9
20H30.7Very low33.7Very low187 Ų187154 Ų15487%0.86681%0.811SS**  trans-149.6166.5170.9-96.311.5000107.8
21P47.9Very low33.3Very low102 Ų102149.8 Ų149.866%0.66281%0.805SS**  cis-105.8-89.3-14.316.66.4000111.6
22P42.9Very low32.6Very low113 Ų113153.7 Ų153.773%0.73481%0.811SS**  cis-99.2-126.9-8.740.8-32.7000113.3
23H28.8Very low32Very low162 Ų162158 Ų15875%0.7582%0.817SS**  trans-137152.6-168.5-59.7-97.3000112.1
24F28.1Very low31.7Very low219 Ų219154.7 Ų154.796%0.96181%0.811SS**  trans-153.5152.4134.2-96.2-66.6000111.5
25L29.9Very low31.3Very low153 Ų153156.5 Ų156.580%0.80182%0.816SS**  trans-88.3152.4-174.5-66.8145.9000111.5
26F26.9Very low31.2Very low209 Ų209156.9 Ų156.992%0.91782%0.818SS**  178.1130.9120.2-100.6-70.5000111
27C25.6Very low31.3Very low115 Ų115154.5 Ų154.578%0.77781%0.812SS**  trans-92.5161.5157.9-59.10000108.7
28P30.3Very low31Very low122 Ų122156.8 Ų156.879%0.79281%0.813SS**  -138.7168101.437-25.5000115
29L27.5Very low31Very low172 Ų172154 Ų15490%0.90181%0.807SS**  trans-67.8153.9174.4-54.798.2000112.2
30S26.1Very low31.1Very low127 Ų127154.8 Ų154.889%0.88881%0.805SS**  -158.2154.1125.1-162.60000112.9
31S28Very low31.1Very low101 Ų101152.4 Ų152.471%0.70680%0.803SS**  trans-107.8139.7-176.8166.10000111.3
32R27.1Very low30.2Very low230 Ų230156.2 Ų156.287%0.86881%0.811SS**  trans171.7124.1136.2-94162.1-176.2-154.22.2108.3
33R26.2Very low29.6Very low234 Ų234158.8 Ų158.888%0.88382%0.818SS**  90.9117.469.2-164.6-177.9-157-178.57.4110.8
34A29.3Very low29.5Very low83 Ų83154.2 Ų154.269%0.68682%0.815SS**  trans-5.3139.9169.500000119.8
35E27.8Very low29.5Very low194 Ų194152.5 Ų152.591%0.90782%0.815SS**  -166.4141.6110.9-102.4156.9-154.800111.5
36S34.1Very low29.3Very low109 Ų109148.5 Ų148.576%0.76281%0.81SS**  trans-103.8142.8154.672.90000106.4
37P39Very low29.4Very low93 Ų93147.1 Ų147.160%0.60481%0.812SS**  -153.8172.7109.228.1-5.5000117
38Y28.7Very low29.5Very low221 Ų221144.8 Ų144.887%0.86781%0.807SS**  trans107133.4152.7-66.8-67.4000121.5
39K35.4Very low30Very low191 Ų191144.8 Ų144.883%0.8381%0.807SS**  trans-83.5164.7173-50.9167179175.70109.6
40P33.8Very low30.2Very low114 Ų114143.6 Ų143.674%0.7481%0.807SS**  trans-112.5146.4146.233.9-26.4000112.7
41V29.3Very low30.4Very low136 Ų136145 Ų14582%0.82480%0.804SS**  trans-87.2136.4168.4171.10000108.1
42H29Very low30.6Very low182 Ų182150 Ų15084%0.84381%0.813SS**  trans-97.1114.3171.2-90.2-73.2000111.3
43L31Very low30.9Very low168 Ų168146.2 Ų146.288%0.8882%0.816SS**  trans-86134.6152.7-101.4152.9000107.8
44G26.7Very low31.1Very low66 Ų66138.7 Ų138.768%0.6880%0.803SS**  trans-100.9152.2-177.200000113
45L28.4Very low31.3Very low183 Ų183139.9 Ų139.996%0.95881%0.813SS**  trans-154.7122.2154-109.7144000106.8
46G25Very low31.6Very low68 Ų68137 Ų13770%0.70180%0.802SS**  trans-104.5161.6-174.400000112.2
47L29.5Very low31.6Very low181 Ų181136.1 Ų136.195%0.94880%0.802SS**  trans-166.6139.3156.6-101.1156.7000106.6
48G26.8Very low31.2Very low65 Ų65138.9 Ų138.967%0.6781%0.809SS**  trans-142.5-157.4168.900000108.6
49P42.3Very low31.5Very low123 Ų123132 Ų13280%0.79980%0.797SS**  cis-120.5167.4-33.737.8-26.7000110.7
50T31.7Very low31.6Very low146 Ų146133.4 Ų133.490%0.89680%0.798SS**  trans-160.1131.9155.5-0.90000111.3
51D29.5Very low31.9Very low156 Ų156134.7 Ų134.783%0.83480%0.797SS**  trans-72.8137.2-179.7-62.7-65.2000112.7
52K31.8Very low32.5Very low206 Ų206134.3 Ų134.390%0.89679%0.789SS**  trans-162.2114.5143.1-108.7157.2-169.5178.50110.2A54K52-A54 PolarHBondContact O-N 2.77Å
53V34.5Very low32.9Very low152 Ų152132.5 Ų132.592%0.92179%0.785SS**  trans-72.3111.7177.8177.70000109.3
54A29.7Very low33.5Very low76 Ų76131.7 Ų131.763%0.62878%0.781SS**  trans-125124.516200000108K52 I56K52-A54 PolarHBondContact O-N 2.77Å; A54-I56 VanDerWaalsContact C-N 3.29Å; A54-I56 PolarHBondContact O-N 3.05Å
55A33.3Very low34.4Very low108 Ų108134.3 Ų134.389%0.89378%0.783SS**  trans-73.584.8175.800000109.5A57A55-A57 PolarHBondContact O-N 2.85Å; A55-A57 VanDerWaalsContact O-N 3.16Å
56I33.6Very low34.9Very low132 Ų132131 Ų13168%0.67777%0.773SS**  trans-71.6107.8175-63.2174.4000107.9A54 M58A54-I56 VanDerWaalsContact C-N 3.29Å; A54-I56 PolarHBondContact O-N 3.05Å; I56-M58 HydrophobicContact CG2-SD 4.14Å; I56-M58 PolarHBondContact O-N 3.14Å
57A34.6Very low35.5Very low92 Ų92138.6 Ų138.676%0.7678%0.781SS**  trans-61.4108.5165.100000108.1A55 A59A55-A57 PolarHBondContact O-N 2.85Å; A55-A57 VanDerWaalsContact O-N 3.16Å; A57-A59 PolarHBondContact O-N 3.24Å
58M30.2Very low36.3Very low151 Ų151137.5 Ų137.574%0.74478%0.776SS**  trans-7469.1-175-70.9-71-74.500111.7I56 R60I56-M58 HydrophobicContact CG2-SD 4.14Å; I56-M58 PolarHBondContact O-N 3.14Å; M58-R60 PolarHBondContact O-N 3.01Å; M58-R60 VanDerWaalsContact O-N 3.08Å
59A34.9Very low36.9Very low75 Ų75139.6 Ų139.662%0.6277%0.772SS**  trans-61.8106.1157.900000107.4A57 I61A57-A59 PolarHBondContact O-N 3.24Å; A59-I61 PolarHBondContact O-N 2.98Å
60R37.4Very low37.2Very low222 Ų222137.9 Ų137.984%0.83878%0.776SS**  trans-72.793.8176.4-74-170.1173-145.3-2.6109.1M58 I62M58-R60 PolarHBondContact O-N 3.01Å; M58-R60 VanDerWaalsContact O-N 3.08Å; R60-I62 PolarHBondContact O-N 3.11Å
61I39.8Very low37.7Very low141 Ų141135.5 Ų135.572%0.72377%0.766SS**  trans-61.1121.8159.9-58.4174.7000106.2A59A59-I61 PolarHBondContact O-N 2.98Å
62I42.2Very low38.2Very low128 Ų128134.3 Ų134.366%0.65676%0.764SS**  trans-91.7107.1170-60.3175.5000105.3R60 L64R60-I62 PolarHBondContact O-N 3.11Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; I62-L64 HydrophobicContact CG2-CG 4.47Å; I62-L64 PolarHBondContact O-N 2.9Å
63D38.5Very low38.6Very low144 Ų144134.2 Ų134.277%0.7777%0.766SS**  trans-67.199.4166.1-74.4-28.4000107.9V65D63-V65 PolarHBondContact O-N 2.88Å; D63-V65 VanDerWaalsContact O-N 3.11Å
64L43.8Very low38.8Very low151 Ų151133.1 Ų133.179%0.79176%0.76SS**  trans-70.1102.6165-67.6173.8000106.9I62 P66I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; I62-L64 HydrophobicContact CG2-CG 4.47Å; I62-L64 PolarHBondContact O-N 2.9Å; L64-P66 WeakPolarHBondContact O-CD 3.44Å
65V44.6Very low39.3Very low120 Ų120138.8 Ų138.873%0.72777%0.766SS**PPolyproline II helixtrans-51.3122.2170.2176.20000108D63 W67D63-V65 PolarHBondContact O-N 2.88Å; D63-V65 VanDerWaalsContact O-N 3.11Å; V65-W67 PolarHBondContact O-N 3.31Å
66P40.2Very low39.9Very low115 Ų115137.8 Ų137.875%0.74776%0.758SS**PPolyproline II helixtrans-61.6124.5178.4-21.732.9000110.1L64L64-P66 WeakPolarHBondContact O-CD 3.44Å
67W37.2Very low40Very low227 Ų227135.4 Ų135.486%0.8675%0.753SS**PPolyproline II helixtrans-76.4124.7157.8-9377.1000107.6V65 D69V65-W67 PolarHBondContact O-N 3.31Å; W67-D69 VanDerWaalsContact C-N 3.28Å; W67-D69 PolarHBondContact O-N 2.85Å
68D44.6Very low40.5Very low157 Ų157136 Ų13684%0.8475%0.749SS**  trans-88.465.8-167.9-160.915.6000111.2
69D40.3Very low41.5Very low110 Ų110133.1 Ų133.159%0.58875%0.749SS**  trans-11144.8-172.2-71.260000111.7W67 S71W67-D69 VanDerWaalsContact C-N 3.28Å; W67-D69 PolarHBondContact O-N 2.85Å; D69-S71 VanDerWaalsContact C-N 3.26Å; D69-S71 WeakPolarHBondContact O-CB 3.42Å; D69-S71 PolarHBondContact O-N 3.06Å; D69-S71 PolarHBondContact O-OG 3.31Å
70G48.9Very low42.2Very low86 Ų86135.8 Ų135.889%0.88775%0.752SS**  trans49.621.7148.700000120.1
71S41.8Very low42.6Very low97 Ų97132.5 Ų132.568%0.67875%0.75SS**  trans-133126.7-170.752.30000113.5D69D69-S71 VanDerWaalsContact C-N 3.26Å; D69-S71 WeakPolarHBondContact O-CB 3.42Å; D69-S71 PolarHBondContact O-N 3.06Å; D69-S71 PolarHBondContact O-OG 3.31Å
72T40.6Very low43.1Very low131 Ų131132.3 Ų132.380%0.80475%0.75SS**  trans11.2110.1167.939.10000118.2V74T72-V74 PolarHBondContact O-N 3.08Å
73H39.1Very low43.7Very low203 Ų203131.8 Ų131.894%0.9475%0.754SS**  trans-49100.4171.5-65.3-78.3000113.7
74V39.1Very low44.7Very low129 Ų129131.2 Ų131.278%0.78276%0.756SS**  trans-90.4112.4154.9178.70000107T72 A76T72-V74 PolarHBondContact O-N 3.08Å; V74-A76 VanDerWaalsContact C-N 3.26Å; V74-A76 PolarHBondContact O-N 2.96Å
75Y40.1Very low45.4Very low196 Ų196132.6 Ų132.677%0.76976%0.758SS**  trans-70.185173.7-174.9-95.2000109.4S77Y75-S77 PolarHBondContact O-N 2.92Å; Y75-S77 VanDerWaalsContact O-N 3.14Å
76A45.4Very low46.3Very low86 Ų86135.3 Ų135.371%0.71176%0.756SS**  trans-7498.2170.300000108.6V74V74-A76 VanDerWaalsContact C-N 3.26Å; V74-A76 PolarHBondContact O-N 2.96Å
77S35.8Very low47.8Very low83 Ų83140 Ų14058%0.5876%0.758SS**  trans-51134.6171.9-63.70000110.1Y75 A79Y75-S77 PolarHBondContact O-N 2.92Å; Y75-S77 VanDerWaalsContact O-N 3.14Å; S77-A79 PolarHBondContact O-N 2.91Å
78P45.5Very low49.6Very low104 Ų104132.8 Ų132.868%0.67573%0.731SS**  trans-60.4115.1-179.423.7-33000109.6I80P78-I80 PolarHBondContact O-N 3.05Å
79A51.2Low51.2Low90 Ų90128.2 Ų128.274%0.74471%0.706SS**  trans-69.295177.600000109.1S77 L81S77-A79 PolarHBondContact O-N 2.91Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.78Å
80I49.6Very low53.1Low132 Ų132128.3 Ų128.368%0.67770%0.703SS**  trans-64.598.5169.8-57.9175.2000106.9P78 L82P78-I80 PolarHBondContact O-N 3.05Å; I80-L82 HydrophobicContact CG2-CD2 4.2Å; I80-L82 PolarHBondContact O-N 3.16Å
81L46Very low54.5Low152 Ų152127.4 Ų127.480%0.79668%0.678SS**  trans-65.891.7165.7-69.1177.9000107.5A79A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.78Å
82L50.8Low55.7Low138 Ų138128.4 Ų128.472%0.72369%0.692SS**  trans-50.8127.4166.5-65.6178000107.4I80 V84I80-L82 HydrophobicContact CG2-CD2 4.2Å; I80-L82 PolarHBondContact O-N 3.16Å; L82-V84 PolarHBondContact O-N 2.9Å
83P54.4Low57Low116 Ų116125.4 Ų125.475%0.75369%0.687SS**  trans-52.9121.7177.7-25.634000109E85P83-E85 PolarHBondContact O-N 3.08Å
84V60.4Low58.3Low133 Ų133117.1 Ų117.181%0.80665%0.651SS**  trans-58.2112176175.30000107.2L82 R86L82-V84 PolarHBondContact O-N 2.9Å; V84-R86 PolarHBondContact O-N 2.87Å
85E56.9Low59.7Low179 Ų179118.1 Ų118.184%0.83664%0.644SS**  trans-50.3106.3-173.3-155.173.7-130.400109.1P83 R87P83-E85 PolarHBondContact O-N 3.08Å; E85-R87 PolarHBondContact O-N 3.27Å
86R64.6Low60.7Low178 Ų178117.7 Ų117.767%0.67265%0.65SS**  trans-73.797.1-171.7-72.3-170.5173.7-155.8-3.6108.6V84 R88 Y128V84-R86 PolarHBondContact O-N 2.87Å; R86-R88 PolarHBondContact O-N 2.78Å; R86-R88 VanDerWaalsContact O-N 3.08Å; R86-Y128 HydrophobicContact CB-CD1 3.47Å; R86-Y128 VanDerWaalsContact CB-CD1 3.47Å; R86-Y128 HydrophobicContact CB-CE1 3.87Å; R86-Y128 HydrophobicContact CB-CG 4.44Å; R86-Y128 VanDerWaalsContact O-CD1 3.26Å; R86-Y128 WeakPolarHBondContact O-CD1 3.25Å; R86-Y128 VanDerWaalsContact O-CE1 3.25Å; R86-Y128 WeakPolarHBondContact O-CE1 3.26Å
87R70.6Confident61.6Low214 Ų214119.7 Ų119.781%0.80864%0.644SS**  trans-51.2116.8175-177.8178.9179.6179.41.5110.2E85E85-R87 PolarHBondContact O-N 3.27Å
88R75.4Confident62.9Low75 Ų75119 Ų11928%0.28363%0.633SS.*  trans-78.6144176.1-65.3171.285.6-173.119.4110.8R86 D120 T126 T127 Y128R86-R88 PolarHBondContact O-N 2.78Å; R86-R88 VanDerWaalsContact O-N 3.08Å; R88-D120 IonicContact CZ-OD1 3.05Å; R88-D120 VanDerWaalsContact NH1-CG 3.26Å; R88-D120 IonicContact NH1-OD1 3.14Å; R88-D120 PolarHBondContact NH1-OD1 2.99Å; R88-D120 IonicContact NH1-OD2 3.76Å; R88-D120 PolarHBondContact NH2-O 3.01Å; R88-D120 IonicContact NH2-OD1 3.16Å; R88-D120 PolarHBondContact NH2-OD1 2.75Å; R88-D120 VanDerWaalsContact NH2-OD1 3.14Å; R88-T126 PolarHBondContact NE-OG1 3.03Å; R88-T126 VanDerWaalsContact NE-OG1 3.17Å; R88-T126 PolarHBondContact NH2-OG1 3.18Å; R88-T126 VanDerWaalsContact NH2-OG1 3.14Å; R88-T127 WeakPolarHBondContact CA-O 3.21Å; R88-Y128 HydrophobicContact CG-CD1 3.49Å; R88-Y128 VanDerWaalsContact CG-CD1 3.49Å; R88-Y128 HydrophobicContact CG-CE1 3.27Å; R88-Y128 HydrophobicContact CG-CE2 4.46Å; R88-Y128 HydrophobicContact CG-CG 4.23Å
89N78.9Confident63.8Low60 Ų60120.4 Ų120.432%0.32163%0.626SS.*EExtended strand (participates in β ladder)trans-109.8139.6176.6-57.8-50.4000109.1T126 T127 Y129N89-T126 CarbonylContact O-C 3.58Å; N89-T126 VanDerWaalsContact O-CA 3.29Å; N89-T126 WeakPolarHBondContact O-CA 3.34Å; N89-T127 HydrophobicContact CB-CG2 4.37Å; N89-T127 PolarHBondContact N-O 3.29Å; N89-T127 PolarHBondContact O-N 3.25Å; N89-Y129 PolarHBondContact ND2-O 3.5Å; N89-Y129 VanDerWaalsContact ND2-O 3.17Å
90Q79.2Confident64.5Low112 Ų112120.3 Ų120.352%0.52361%0.61SS.*EExtended strand (participates in β ladder)trans-70.6140.1169.4-68.2-68.1-12.800109.5S125 T126Q90-S125 PolarHBondContact OE1-O 3.04Å; Q90-T126 HydrophobicContact CG-CG2 4.49Å
91L78.8Confident65.2Low67 Ų67119.2 Ų119.235%0.35161%0.612SS.*  trans-70.3148.7175.1-64.9175.8000110.8G93 V94 Q124 S125 T127L91-G93 PolarHBondContact O-N 3.23Å; L91-V94 HydrophobicContact CB-CG2 4.17Å; L91-V94 WeakPolarHBondContact O-CB 3.4Å; L91-V94 WeakPolarHBondContact O-CG2 3.48Å; L91-V94 PolarHBondContact O-N 3.25Å; L91-Q124 WeakPolarHBondContact CD1-O 3.42Å; L91-S125 WeakPolarHBondContact CG-O 3.12Å; L91-S125 PolarHBondContact N-O 2.67Å; L91-T127 HydrophobicContact CD2-CG2 3.6Å
92A67.7Low66.3Low118 Ų118115.8 Ų115.898%0.97561%0.605SS**THydrogen-bonded Turntrans-60-20.6-172.700000115
93G66.7Low67Low68 Ų68114 Ų11470%0.70160%0.596SS**THydrogen-bonded Turntrans-85.4-7.8174.900000115.1L91 K95L91-G93 PolarHBondContact O-N 3.23Å; G93-K95 PolarHBondContact O-N 3.26Å
94V67.5Low67.6Low30 Ų30114.4 Ų114.418%0.18260%0.598CS.*  trans-74.4111.2-178.4179.50000109.9L91 Q96 M109 S125L91-V94 HydrophobicContact CB-CG2 4.17Å; L91-V94 WeakPolarHBondContact O-CB 3.4Å; L91-V94 WeakPolarHBondContact O-CG2 3.48Å; L91-V94 PolarHBondContact O-N 3.25Å; V94-Q96 PolarHBondContact O-N 2.84Å; V94-M109 HydrophobicContact CB-CE 4.5Å; V94-M109 HydrophobicContact CB-SD 4.48Å; V94-M109 HydrophobicContact CG1-CE 3.75Å; V94-M109 HydrophobicContact CG1-SD 4.2Å; V94-M109 HydrophobicContact CG2-SD 4.29Å; V94-S125 VanDerWaalsContact CG2-O 3.32Å; V94-S125 WeakPolarHBondContact CG2-O 3.29Å
95K68.7Low67.8Low149 Ų149111.6 Ų111.665%0.64858%0.582SS**  trans-70.4121.8176.7-63.3-178.8-179.4-179.60110.1G93 Q97 R107G93-K95 PolarHBondContact O-N 3.26Å; K95-Q97 PolarHBondContact O-N 3.17Å; K95-R107 VanDerWaalsContact CB-NH1 3.33Å
96Q60.4Low68.3Low188 Ų188106.2 Ų106.288%0.87956%0.558SS**SBendtrans-69.291.7172.5-62.7178.42.200110.3V94V94-Q96 PolarHBondContact O-N 2.84Å
97Q65Low68.4Low128 Ų12899.7 Ų99.760%0.59853%0.534SS*.  trans173.5124161.8-101.8157.89.400109.7K95 Y99 R107K95-Q97 PolarHBondContact O-N 3.17Å; Q97-Y99 VanDerWaalsContact C-N 3.32Å; Q97-Y99 PolarHBondContact O-N 3.17Å; Q97-R107 WeakPolarHBondContact O-CD 3.26Å; Q97-R107 VanDerWaalsContact O-CZ 3.23Å; Q97-R107 PolarHBondContact O-NE 3.06Å; Q97-R107 PolarHBondContact O-NH1 2.68Å
98L62.8Low68.2Low67 Ų6796.5 Ų96.535%0.35153%0.528SS..SBendtrans-63-31.8-177.8-179.760.3000114.5L106 R107 D110 V114L98-L106 HydrophobicContact CD1-CD2 3.71Å; L98-L106 HydrophobicContact CD2-CD2 4.02Å; L98-L106 HydrophobicContact CG-CD2 3.59Å; L98-R107 PolarHBondContact O-N 3.06Å; L98-D110 HydrophobicContact CD1-CB 3.79Å; L98-V114 HydrophobicContact CD1-CG2 3.68Å
99Y63.8Low67.7Low134 Ų13496.4 Ų96.453%0.52553%0.531SS..EExtended strand (participates in β ladder)trans-105151.2-172-64.8-76.8000112.7Q97 L106 R107Q97-Y99 VanDerWaalsContact C-N 3.32Å; Q97-Y99 PolarHBondContact O-N 3.17Å; Y99-L106 HydrophobicContact CD1-CD2 4.11Å; Y99-L106 HydrophobicContact CE1-CD2 3.7Å; Y99-R107 PolarHBondContact O-NE 2.87Å; Y99-R107 PolarHBondContact O-NH2 3.25Å
100H65.6Low67.1Low88 Ų8894.5 Ų94.541%0.40752%0.521SS..EExtended strand (participates in β ladder)trans-69.1132.3167.1-168.4-96.5000109.8A102 L103 T105H100-A102 PolarHBondContact ND1-N 3.4Å; H100-A102 PolarHBondContact O-N 2.94Å; H100-A102 VanDerWaalsContact O-N 3.1Å; H100-L103 HydrophobicContact CB-CB 4.32Å; H100-L103 PolarHBondContact O-N 3.14Å; H100-T105 PolarHBondContact N-O 3.13Å
101P65.4Low66.7Low110 Ų11094.6 Ų94.671%0.71452%0.517SS*.THydrogen-bonded Turntrans-65.7-19.7-173.326.4-35000113.8
102A68.9Low66.2Low79 Ų7994.2 Ų94.265%0.65352%0.515SS*.THydrogen-bonded Turntrans-108-1.8179.300000114.7H100H100-A102 PolarHBondContact ND1-N 3.4Å; H100-A102 PolarHBondContact O-N 2.94Å; H100-A102 VanDerWaalsContact O-N 3.1Å
103L66.1Low66.3Low102 Ų10291.5 Ų91.553%0.53449%0.486SS..EExtended strand (participates in β ladder)trans-148.3142.7-177.6-70.4174.9000110.8H100 T105H100-L103 HydrophobicContact CB-CB 4.32Å; H100-L103 PolarHBondContact O-N 3.14Å; L103-T105 HydrophobicContact CB-CG2 4.48Å; L103-T105 PolarHBondContact O-N 3.35Å
104P65.5Low66.4Low123 Ų12392.6 Ų92.680%0.79948%0.479SS*.EExtended strand (participates in β ladder)trans-74.335.9175.934.1-37.3000112.8
105T66.1Low66.7Low75 Ų7596.8 Ų96.846%0.4650%0.495SS..EExtended strand (participates in β ladder)trans-102.5140.2177.251.30000110.4H100 L103H100-T105 PolarHBondContact N-O 3.13Å; L103-T105 HydrophobicContact CB-CG2 4.48Å; L103-T105 PolarHBondContact O-N 3.35Å
106L65.6Low66.8Low65 Ų6593.6 Ų93.634%0.3450%0.497SS..EExtended strand (participates in β ladder)trans-61.9136.8168.8-60.6-178.6000109.1L98 Y99L98-L106 HydrophobicContact CD1-CD2 3.71Å; L98-L106 HydrophobicContact CD2-CD2 4.02Å; L98-L106 HydrophobicContact CG-CD2 3.59Å; Y99-L106 HydrophobicContact CD1-CD2 4.11Å; Y99-L106 HydrophobicContact CE1-CD2 3.7Å
107R67.4Low67Low41 Ų4188.4 Ų88.416%0.15548%0.48CS..PPolyproline II helixtrans-64.1141.6171.3-62.4179.7177.7163.4-0.3109.2K95 Q97 L98 Y99 M109 D110 R111K95-R107 VanDerWaalsContact CB-NH1 3.33Å; Q97-R107 WeakPolarHBondContact O-CD 3.26Å; Q97-R107 VanDerWaalsContact O-CZ 3.23Å; Q97-R107 PolarHBondContact O-NE 3.06Å; Q97-R107 PolarHBondContact O-NH1 2.68Å; L98-R107 PolarHBondContact O-N 3.06Å; Y99-R107 PolarHBondContact O-NE 2.87Å; Y99-R107 PolarHBondContact O-NH2 3.25Å; R107-M109 PolarHBondContact O-N 2.65Å; R107-D110 WeakPolarHBondContact CB-OD2 3.33Å; R107-D110 PolarHBondContact O-N 3.05Å; R107-R111 PolarHBondContact O-N 2.72Å
108H66.4Low67Low148 Ų14885.1 Ų85.169%0.68547%0.466SS*.Hα-helixtrans-56.5-36.7-179.1-111-87.7000113D110 R111H108-D110 PolarHBondContact O-N 2.9Å; H108-R111 PolarHBondContact O-N 2.85Å
109M64.9Low67Low72 Ų7285.8 Ų85.836%0.35548%0.475SS..Hα-helixtrans-61.7-38.4175.2-178.4-175.469.600113.3V94 R107 T113V94-M109 HydrophobicContact CB-CE 4.5Å; V94-M109 HydrophobicContact CB-SD 4.48Å; V94-M109 HydrophobicContact CG1-CE 3.75Å; V94-M109 HydrophobicContact CG1-SD 4.2Å; V94-M109 HydrophobicContact CG2-SD 4.29Å; R107-M109 PolarHBondContact O-N 2.65Å; M109-T113 PolarHBondContact O-OG1 3.17Å
110D67.2Low66.9Low21 Ų2183.3 Ų83.311%0.11247%0.471CS..Hα-helixtrans-84.7-26.3-176.8-57.8-42.8000111.4L98 R107 H108 D112 T113 V114L98-D110 HydrophobicContact CD1-CB 3.79Å; R107-D110 WeakPolarHBondContact CB-OD2 3.33Å; R107-D110 PolarHBondContact O-N 3.05Å; H108-D110 PolarHBondContact O-N 2.9Å; D110-D112 VanDerWaalsContact C-N 3.33Å; D110-D112 PolarHBondContact O-N 3.01Å; D110-T113 PolarHBondContact O-N 3.14Å; D110-V114 WeakPolarHBondContact O-CB 3.43Å; D110-V114 VanDerWaalsContact O-CG2 3.28Å; D110-V114 WeakPolarHBondContact O-CG2 3.5Å; D110-V114 PolarHBondContact O-N 3.2Å
111R70.3Confident66.7Low114 Ų11486.1 Ų86.143%0.4348%0.484SS..Hα-helixtrans-53.5-45.8178.1176.2176.2168.9147.4-3.1112.7R107 H108 T113 K115R107-R111 PolarHBondContact O-N 2.72Å; H108-R111 PolarHBondContact O-N 2.85Å; R111-T113 VanDerWaalsContact C-N 3.35Å; R111-K115 HydrophobicContact CG-CD 4.19Å; R111-K115 VanDerWaalsContact O-CB 3.31Å; R111-K115 WeakPolarHBondContact O-CB 3.2Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.23Å; R111-K115 PolarHBondContact O-N 2.94Å
112D69Low66.5Low59 Ų5985.2 Ų85.232%0.31647%0.47SS..Hα-helixtrans-74.3-30.4-176.8-61.8-18.2000111.8D110 A116 C117 L118D110-D112 VanDerWaalsContact C-N 3.33Å; D110-D112 PolarHBondContact O-N 3.01Å; D112-A116 WeakPolarHBondContact O-CA 3.22Å; D112-A116 PolarHBondContact O-N 3.32Å; D112-C117 PolarHBondContact O-N 3.28Å; D112-L118 HydrophobicContact CB-CD1 4.23Å; D112-L118 HydrophobicContact CB-CG 4.44Å
113T68.8Low66.4Low60 Ų6082.6 Ų82.637%0.36845%0.447SS..Hα-helixtrans-71.4-46.7174.9-51.90000110.9M109 D110 R111 K115 A116 S125M109-T113 PolarHBondContact O-OG1 3.17Å; D110-T113 PolarHBondContact O-N 3.14Å; R111-T113 VanDerWaalsContact C-N 3.35Å; T113-K115 PolarHBondContact O-N 3.14Å; T113-A116 PolarHBondContact O-N 2.86Å; T113-S125 PolarHBondContact OG1-OG 2.63Å; T113-S125 VanDerWaalsContact OG1-OG 3.05Å
114V69.9Low66.5Low91 Ų9185.7 Ų85.755%0.55246%0.459SS*.Hα-helixtrans-67.1-35.6179.9168.70000112.5L98 D110L98-V114 HydrophobicContact CD1-CG2 3.68Å; D110-V114 WeakPolarHBondContact O-CB 3.43Å; D110-V114 VanDerWaalsContact O-CG2 3.28Å; D110-V114 WeakPolarHBondContact O-CG2 3.5Å; D110-V114 PolarHBondContact O-N 3.2Å
115K72.9Confident66.8Low118 Ų11880.1 Ų80.151%0.51342%0.422SS..THydrogen-bonded Turntrans-89.5-0.9178.8-65.6-173.2174-157.90113.9R111 T113 C117R111-K115 HydrophobicContact CG-CD 4.19Å; R111-K115 VanDerWaalsContact O-CB 3.31Å; R111-K115 WeakPolarHBondContact O-CB 3.2Å; R111-K115 VanDerWaalsContact O-CG 3.31Å; R111-K115 WeakPolarHBondContact O-CG 3.23Å; R111-K115 PolarHBondContact O-N 2.94Å; T113-K115 PolarHBondContact O-N 3.14Å; K115-C117 HydrophobicContact CB-CB 4.49Å; K115-C117 WeakPolarHBondContact CB-SG 3.29Å; K115-C117 PolarHBondContact O-N 2.64Å; K115-C117 VanDerWaalsContact O-N 3.14Å
116A69.8Low67.3Low83 Ų8377.3 Ų77.369%0.68641%0.405SS*.THydrogen-bonded Turntrans47.437.3-171.800000113D112 T113 L118D112-A116 WeakPolarHBondContact O-CA 3.22Å; D112-A116 PolarHBondContact O-N 3.32Å; T113-A116 PolarHBondContact O-N 2.86Å; A116-L118 VanDerWaalsContact C-N 3.26Å; A116-L118 PolarHBondContact O-N 3.06Å
117C65.7Low68Low78 Ų7875.2 Ų75.253%0.52740%0.395SS..  trans-74.9-12.9-172.2-75.60000114D112 K115D112-C117 PolarHBondContact O-N 3.28Å; K115-C117 HydrophobicContact CB-CB 4.49Å; K115-C117 WeakPolarHBondContact CB-SG 3.29Å; K115-C117 PolarHBondContact O-N 2.64Å; K115-C117 VanDerWaalsContact O-N 3.14Å
118L64.3Low68.5Low59 Ų5977.2 Ų77.231%0.30940%0.403SS..SBendtrans-116.5134178.2-65.7175000109.3D112 A116D112-L118 HydrophobicContact CB-CD1 4.23Å; D112-L118 HydrophobicContact CB-CG 4.44Å; A116-L118 VanDerWaalsContact C-N 3.26Å; A116-L118 PolarHBondContact O-N 3.06Å
119P63Low69Low81 Ų8176 Ų7653%0.52639%0.393SS..  trans-53.7151.7168.2-2433.7000111E121 H122 C123P119-E121 PolarHBondContact O-N 2.9Å; P119-H122 PolarHBondContact O-N 3.49Å; P119-C123 PolarHBondContact O-N 2.95Å
120D61.5Low69.5Low83 Ų8380.5 Ų80.544%0.44441%0.406SS..G310 helixtrans-62.5-24.2-172.3-78.2-17.9000114.5R88 H122 Y128R88-D120 IonicContact CZ-OD1 3.05Å; R88-D120 VanDerWaalsContact NH1-CG 3.26Å; R88-D120 IonicContact NH1-OD1 3.14Å; R88-D120 PolarHBondContact NH1-OD1 2.99Å; R88-D120 IonicContact NH1-OD2 3.76Å; R88-D120 PolarHBondContact NH2-O 3.01Å; R88-D120 IonicContact NH2-OD1 3.16Å; R88-D120 PolarHBondContact NH2-OD1 2.75Å; R88-D120 VanDerWaalsContact NH2-OD1 3.14Å; D120-H122 VanDerWaalsContact C-N 3.29Å; D120-H122 PolarHBondContact O-N 3.36Å; D120-Y128 HydrophobicContact CB-CE2 4.21Å; D120-Y128 VanDerWaalsContact CB-OH 3.26Å; D120-Y128 WeakPolarHBondContact CB-OH 3.05Å; D120-Y128 PolarHBondContact OD2-OH 3.1Å
121E62.7Low70Confident147 Ų14786.3 Ų86.369%0.68743%0.431SS*.G310 helixtrans-72.6-16.5174.3-54.6-172177.200114P119 Q150P119-E121 PolarHBondContact O-N 2.9Å; E121-Q150 PolarHBondContact OE2-NE2 3.32Å
122H61.4Low70.2Confident90 Ų9085.6 Ų85.642%0.41744%0.435SS..G310 helixtrans-119.57.9-175.4-62.8-36.6000113.4P119 D120 Q124 Q150P119-H122 PolarHBondContact O-N 3.49Å; D120-H122 VanDerWaalsContact C-N 3.29Å; D120-H122 PolarHBondContact O-N 3.36Å; H122-Q124 PolarHBondContact O-N 3Å; H122-Q150 PolarHBondContact CE1-OE1 3.05Å
123C66.4Low70.6Confident25 Ų2587.1 Ų87.117%0.16944%0.441CS..  trans-67.5126.4178.5-1710000111.4P119 S125 T126P119-C123 PolarHBondContact O-N 2.95Å; C123-S125 PolarHBondContact SG-OG 3.2Å; C123-T126 PolarHBondContact SG-OG1 3.15Å
124Q67.1Low70.8Confident167 Ų16789.5 Ų89.578%0.7845%0.446SS*.SBendtrans-85.1-12.6-177.3-60-178.213.100113.9L91 H122L91-Q124 WeakPolarHBondContact CD1-O 3.42Å; H122-Q124 PolarHBondContact O-N 3Å
125S72.1Confident70.9Confident5 Ų590.1 Ų90.14%0.03545%0.446CS..SBendtrans-101.7-23.4-176.552.50000113.6Q90 L91 V94 T113 C123Q90-S125 PolarHBondContact OE1-O 3.04Å; L91-S125 WeakPolarHBondContact CG-O 3.12Å; L91-S125 PolarHBondContact N-O 2.67Å; V94-S125 VanDerWaalsContact CG2-O 3.32Å; V94-S125 WeakPolarHBondContact CG2-O 3.29Å; T113-S125 PolarHBondContact OG1-OG 2.63Å; T113-S125 VanDerWaalsContact OG1-OG 3.05Å; C123-S125 PolarHBondContact SG-OG 3.2Å
126T77Confident70.6Confident16 Ų1690.3 Ų90.310%0.09845%0.453CS..EExtended strand (participates in β ladder)trans-130.1155.6-172.661.40000113.1R88 N89 Q90 C123R88-T126 PolarHBondContact NE-OG1 3.03Å; R88-T126 VanDerWaalsContact NE-OG1 3.17Å; R88-T126 PolarHBondContact NH2-OG1 3.18Å; R88-T126 VanDerWaalsContact NH2-OG1 3.14Å; N89-T126 CarbonylContact O-C 3.58Å; N89-T126 VanDerWaalsContact O-CA 3.29Å; N89-T126 WeakPolarHBondContact O-CA 3.34Å; Q90-T126 HydrophobicContact CG-CG2 4.49Å; C123-T126 PolarHBondContact SG-OG1 3.15Å
127T79.8Confident70.6Confident22 Ų2289.8 Ų89.814%0.13545%0.448CS..EExtended strand (participates in β ladder)trans-138.3149.4179.8-177.10000111.2R88 N89 L91 Y129 F134R88-T127 WeakPolarHBondContact CA-O 3.21Å; N89-T127 HydrophobicContact CB-CG2 4.37Å; N89-T127 PolarHBondContact N-O 3.29Å; N89-T127 PolarHBondContact O-N 3.25Å; L91-T127 HydrophobicContact CD2-CG2 3.6Å; T127-Y129 VanDerWaalsContact C-N 3.32Å; T127-Y129 WeakPolarHBondContact OG1-CD2 3.39Å; T127-Y129 PolarHBondContact OG1-N 3.48Å; T127-F134 HydrophobicContact CG2-CE2 4.18Å; T127-F134 HydrophobicContact CG2-CZ 4.11Å
128Y78.8Confident70.1Confident83 Ų8392.6 Ų92.633%0.32545%0.453SS..SBendtrans-81.4-14.8167.8-66.9-74.2000112.9R86 R88 D120R86-Y128 HydrophobicContact CB-CD1 3.47Å; R86-Y128 VanDerWaalsContact CB-CD1 3.47Å; R86-Y128 HydrophobicContact CB-CE1 3.87Å; R86-Y128 HydrophobicContact CB-CG 4.44Å; R86-Y128 VanDerWaalsContact O-CD1 3.26Å; R86-Y128 WeakPolarHBondContact O-CD1 3.25Å; R86-Y128 VanDerWaalsContact O-CE1 3.25Å; R86-Y128 WeakPolarHBondContact O-CE1 3.26Å; R88-Y128 HydrophobicContact CG-CD1 3.49Å; R88-Y128 VanDerWaalsContact CG-CD1 3.49Å; R88-Y128 HydrophobicContact CG-CE1 3.27Å; R88-Y128 HydrophobicContact CG-CE2 4.46Å; R88-Y128 HydrophobicContact CG-CG 4.23Å; D120-Y128 HydrophobicContact CB-CE2 4.21Å; D120-Y128 VanDerWaalsContact CB-OH 3.26Å; D120-Y128 WeakPolarHBondContact CB-OH 3.05Å; D120-Y128 PolarHBondContact OD2-OH 3.1Å
129Y75.5Confident69.7Low121 Ų12196.3 Ų96.348%0.47547%0.467SS..  trans-74.6145-175.1-64.6-69.8000112.3N89 T127 E133N89-Y129 PolarHBondContact ND2-O 3.5Å; N89-Y129 VanDerWaalsContact ND2-O 3.17Å; T127-Y129 VanDerWaalsContact C-N 3.32Å; T127-Y129 WeakPolarHBondContact OG1-CD2 3.39Å; T127-Y129 PolarHBondContact OG1-N 3.48Å; Y129-E133 WeakPolarHBondContact CA-OE2 3.47Å; Y129-E133 HydrophobicContact CD1-CB 4.24Å
130R76.7Confident69.2Low167 Ų16796.3 Ų96.363%0.6347%0.466SS*.  trans-94.4161.6174.7-63.4-175.1178.1-169.91.1111D132 E133 F134R130-D132 PolarHBondContact O-N 3.33Å; R130-E133 HydrophobicContact CB-CG 4.44Å; R130-E133 PolarHBondContact N-OE2 3.07Å; R130-E133 WeakPolarHBondContact O-CB 3.38Å; R130-E133 PolarHBondContact O-N 3.06Å; R130-F134 WeakPolarHBondContact O-CD2 3.46Å; R130-F134 PolarHBondContact O-N 2.9Å; R130-F134 VanDerWaalsContact O-N 3.17Å
131K77.8Confident68.7Low143 Ų14395.2 Ų95.262%0.62246%0.46SS*.Hα-helixtrans-50.8-46.4176.7-171-174.5174.7-72.40111.6E133 F134 D135K131-E133 PolarHBondContact O-N 3.39Å; K131-F134 WeakPolarHBondContact O-CB 3.5Å; K131-F134 PolarHBondContact O-N 2.81Å; K131-D135 IonicContact NZ-OD1 2.68Å; K131-D135 IonicContact NZ-OD2 3.75Å; K131-D135 PolarHBondContact NZ-OD2 2.98Å; K131-D135 PolarHBondContact O-N 3.3Å
132D74.9Confident68.2Low99 Ų9992.1 Ų92.153%0.52945%0.448SS..Hα-helixtrans-63.9-29.8-178.6-39.4-57.4000112.3R130 N136R130-D132 PolarHBondContact O-N 3.33Å; D132-N136 WeakPolarHBondContact O-CB 3.44Å; D132-N136 PolarHBondContact O-N 3.08Å; D132-N136 PolarHBondContact O-ND2 3.49Å
133E75.8Confident67.7Low92 Ų9289.2 Ų89.243%0.4344%0.442SS..Hα-helixtrans-77-28.3176.1-63.5172.813600112Y129 R130 K131 A137Y129-E133 WeakPolarHBondContact CA-OE2 3.47Å; Y129-E133 HydrophobicContact CD1-CB 4.24Å; R130-E133 HydrophobicContact CB-CG 4.44Å; R130-E133 PolarHBondContact N-OE2 3.07Å; R130-E133 WeakPolarHBondContact O-CB 3.38Å; R130-E133 PolarHBondContact O-N 3.06Å; K131-E133 PolarHBondContact O-N 3.39Å; E133-A137 PolarHBondContact O-N 3.05Å
134F73.7Confident67.1Low110 Ų11093.5 Ų93.548%0.48247%0.467SS..Hα-helixtrans-72.6-42.3168.1-71.4-74.9000111.7T127 R130 K131 N136 A137T127-F134 HydrophobicContact CG2-CE2 4.18Å; T127-F134 HydrophobicContact CG2-CZ 4.11Å; R130-F134 WeakPolarHBondContact O-CD2 3.46Å; R130-F134 PolarHBondContact O-N 2.9Å; R130-F134 VanDerWaalsContact O-N 3.17Å; K131-F134 WeakPolarHBondContact O-CB 3.5Å; K131-F134 PolarHBondContact O-N 2.81Å; F134-N136 VanDerWaalsContact C-N 3.27Å; F134-N136 PolarHBondContact O-N 2.67Å; F134-A137 WeakPolarHBondContact O-CB 3.22Å; F134-A137 PolarHBondContact O-N 2.87Å; F134-A137 VanDerWaalsContact O-N 3.14Å
135D72.1Confident66.4Low103 Ų10388.2 Ų88.255%0.55145%0.448SS*.Hα-helixtrans-66.3-30.6179.4-66.9-23.4000111.5K131K131-D135 IonicContact NZ-OD1 2.68Å; K131-D135 IonicContact NZ-OD2 3.75Å; K131-D135 PolarHBondContact NZ-OD2 2.98Å; K131-D135 PolarHBondContact O-N 3.3Å
136N67.6Low65.8Low123 Ų12395 Ų9566%0.65848%0.484SS*.THydrogen-bonded Turntrans-949.1174-68.7-69.5000114.1D132 F134 H138D132-N136 WeakPolarHBondContact O-CB 3.44Å; D132-N136 PolarHBondContact O-N 3.08Å; D132-N136 PolarHBondContact O-ND2 3.49Å; F134-N136 VanDerWaalsContact C-N 3.27Å; F134-N136 PolarHBondContact O-N 2.67Å; N136-H138 PolarHBondContact O-N 2.95Å; N136-H138 PolarHBondContact O-ND1 3.42Å
137A68.1Low65.2Low71 Ų71101.4 Ų101.459%0.58751%0.51SS*.  trans-71.9100.5-178.400000111.3E133 F134E133-A137 PolarHBondContact O-N 3.05Å; F134-A137 WeakPolarHBondContact O-CB 3.22Å; F134-A137 PolarHBondContact O-N 2.87Å; F134-A137 VanDerWaalsContact O-N 3.14Å
138H56.6Low64.4Low137 Ų137105.3 Ų105.363%0.63454%0.536SS*.  trans-88.9128.7171.756.5-83.6000110.4N136N136-H138 PolarHBondContact O-N 2.95Å; N136-H138 PolarHBondContact O-ND1 3.42Å
139F54.9Low64Low137 Ų137105.8 Ų105.860%0.60154%0.543SS*.  trans-97.5114.3171.4165.2-135000109.9L141F139-L141 HydrophobicContact CD1-CD2 4.48Å; F139-L141 HydrophobicContact CD1-CG 4.05Å; F139-L141 HydrophobicContact CE1-CB 4.42Å; F139-L141 HydrophobicContact CE1-CD1 4.4Å; F139-L141 HydrophobicContact CE1-CD2 3.41Å; F139-L141 VanDerWaalsContact CE1-CD2 3.41Å; F139-L141 HydrophobicContact CE1-CG 3.41Å; F139-L141 VanDerWaalsContact CE1-CG 3.41Å; F139-L141 HydrophobicContact CZ-CB 4.35Å; F139-L141 HydrophobicContact CZ-CD2 3.48Å; F139-L141 VanDerWaalsContact CZ-CD2 3.48Å; F139-L141 HydrophobicContact CZ-CG 3.72Å; F139-L141 PolarHBondContact O-N 3.17Å
140T52.8Low63.5Low81 Ų81105.2 Ų105.250%0.49755%0.545SS..  trans-89.490.4175.3-34.60000109.8L142 G143T140-L142 PolarHBondContact O-N 3.15Å; T140-G143 VanDerWaalsContact CG2-CA 3.49Å; T140-G143 PolarHBondContact O-N 2.97Å; T140-G143 VanDerWaalsContact O-N 3.13Å
141L51.8Low63Low60 Ų60100.2 Ų100.231%0.31454%0.535SS..THydrogen-bonded Turntrans-44.3-34.5176.7-92.6161.6000114.5F139 F185F139-L141 HydrophobicContact CD1-CD2 4.48Å; F139-L141 HydrophobicContact CD1-CG 4.05Å; F139-L141 HydrophobicContact CE1-CB 4.42Å; F139-L141 HydrophobicContact CE1-CD1 4.4Å; F139-L141 HydrophobicContact CE1-CD2 3.41Å; F139-L141 VanDerWaalsContact CE1-CD2 3.41Å; F139-L141 HydrophobicContact CE1-CG 3.41Å; F139-L141 VanDerWaalsContact CE1-CG 3.41Å; F139-L141 HydrophobicContact CZ-CB 4.35Å; F139-L141 HydrophobicContact CZ-CD2 3.48Å; F139-L141 VanDerWaalsContact CZ-CD2 3.48Å; F139-L141 HydrophobicContact CZ-CG 3.72Å; F139-L141 PolarHBondContact O-N 3.17Å; L141-F185 HydrophobicContact CD1-CD2 4.28Å
142L52.2Low62.6Low82 Ų8294.5 Ų94.543%0.42951%0.511SS..THydrogen-bonded Turntrans-123.36.9-171.7-53.9175000112.7T140 I173T140-L142 PolarHBondContact O-N 3.15Å; L142-I173 HydrophobicContact CD1-CB 4.22Å; L142-I173 HydrophobicContact CD1-CD1 3.78Å; L142-I173 HydrophobicContact CD1-CG1 4.23Å; L142-I173 HydrophobicContact CD2-CD1 3.55Å; L142-I173 HydrophobicContact CD2-CG1 3.84Å; L142-I173 HydrophobicContact CG-CD1 4.31Å
143G50.7Low62.4Low29 Ų2994 Ų9430%0.29951%0.509SS..SBendtrans-85.6146.9-178.400000111.4T140T140-G143 VanDerWaalsContact CG2-CA 3.49Å; T140-G143 PolarHBondContact O-N 2.97Å; T140-G143 VanDerWaalsContact O-N 3.13Å
144V53Low62.3Low116 Ų11696.1 Ų96.170%0.70352%0.521SS*.PPolyproline II helixtrans-59.2124162.3-179.10000107.1N146V144-N146 PolarHBondContact O-N 3.17Å
145P52.9Low62.5Low56 Ų5693.5 Ų93.536%0.36451%0.514SS..PPolyproline II helixtrans-66.2130.8-176.427.2-34.8000109.9K147P145-K147 WeakPolarHBondContact CB-O 3.24Å; P145-K147 PolarHBondContact O-N 3.48Å
146N59.3Low62.5Low148 Ų14892.4 Ų92.479%0.79152%0.52SS*.SBendtrans-58.4-15.2-177.9-66.3-35000114V144V144-N146 PolarHBondContact O-N 3.17Å
147K64Low62.7Low150 Ų15090.3 Ų90.365%0.65251%0.511SS*.SBendtrans-133.4138.4170.2-64.9-178.7179.3179.20108.7P145P145-K147 WeakPolarHBondContact CB-O 3.24Å; P145-K147 PolarHBondContact O-N 3.48Å
148P64.1Low63.1Low104 Ų10487.2 Ų87.268%0.67549%0.486SS*.  trans-59.8145.2169.826.9-33.8000110.1Q150 L152P148-Q150 PolarHBondContact O-N 3.14Å; P148-L152 HydrophobicContact CB-CD1 3.91Å
149L69.3Low64.1Low92 Ų9285.1 Ų85.148%0.48248%0.477SS..  trans-67.2127.3175.6-56.1169.9000108.7C151 L152 L161L149-C151 PolarHBondContact O-N 2.92Å; L149-L152 HydrophobicContact CB-CD1 4.36Å; L149-L152 HydrophobicContact CB-CG 4.03Å; L149-L152 WeakPolarHBondContact O-CB 3.48Å; L149-L152 VanDerWaalsContact O-CG 3.23Å; L149-L152 WeakPolarHBondContact O-CG 3.39Å; L149-L152 PolarHBondContact O-N 3.03Å; L149-L161 HydrophobicContact CD1-CD2 4.33Å
150Q65.4Low65.1Low109 Ų10985.6 Ų85.651%0.50948%0.478SS..THydrogen-bonded Turntrans-57.1-24.2-174.7-71.1164.7-41.900113.7E121 H122 P148 I154E121-Q150 PolarHBondContact OE2-NE2 3.32Å; H122-Q150 PolarHBondContact CE1-OE1 3.05Å; P148-Q150 PolarHBondContact O-N 3.14Å; Q150-I154 WeakPolarHBondContact O-CD1 3.39Å
151C65.4Low65.9Low62 Ų6283.7 Ų83.742%0.41947%0.465SS..THydrogen-bonded Turntrans-88.40.1-17962.10000115.4L149 D153 I154 T155L149-C151 PolarHBondContact O-N 2.92Å; C151-D153 VanDerWaalsContact C-N 3.32Å; C151-D153 PolarHBondContact O-N 2.83Å; C151-I154 PolarHBondContact O-N 3.32Å; C151-T155 HydrophobicContact CB-CG2 4.4Å; C151-T155 PolarHBondContact O-N 3.17Å; C151-T155 PolarHBondContact O-OG1 3.5Å; C151-T155 VanDerWaalsContact O-OG1 3.06Å
152L69.7Low66.9Low23 Ų2385.7 Ų85.712%0.1247%0.468CS..THydrogen-bonded Turntrans-56.8-41.6-176.8-76.9170.3000113P148 L149 G158 Q159 L161 R162P148-L152 HydrophobicContact CB-CD1 3.91Å; L149-L152 HydrophobicContact CB-CD1 4.36Å; L149-L152 HydrophobicContact CB-CG 4.03Å; L149-L152 WeakPolarHBondContact O-CB 3.48Å; L149-L152 VanDerWaalsContact O-CG 3.23Å; L149-L152 WeakPolarHBondContact O-CG 3.39Å; L149-L152 PolarHBondContact O-N 3.03Å; L152-G158 CarbonylContact O-C 2.86Å; L152-G158 WeakPolarHBondContact O-CA 3.47Å; L152-Q159 VanDerWaalsContact O-CA 3.28Å; L152-Q159 WeakPolarHBondContact O-CA 3.32Å; L152-Q159 WeakPolarHBondContact O-CG 3.48Å; L152-Q159 PolarHBondContact O-N 3.03Å; L152-L161 HydrophobicContact CD2-CB 4.37Å; L152-L161 HydrophobicContact CD2-CD2 3.49Å; L152-L161 VanDerWaalsContact CD2-CD2 3.49Å; L152-R162 HydrophobicContact CD2-CB 4.18Å
153D71.6Confident67.8Low90 Ų9085.6 Ų85.648%0.48147%0.468SS..THydrogen-bonded Turntrans-96.8-16.5-174.7-60.9-39.7000112.9C151 Q159 R162C151-D153 VanDerWaalsContact C-N 3.32Å; C151-D153 PolarHBondContact O-N 2.83Å; D153-Q159 PolarHBondContact O-NE2 3.18Å; D153-R162 WeakPolarHBondContact OD1-CD 3.43Å; D153-R162 IonicContact OD1-CZ 3.75Å; D153-R162 IonicContact OD1-NE 2.67Å; D153-R162 IonicContact OD1-NH1 2.65Å; D153-R162 PolarHBondContact OD1-NH1 3.02Å; D153-R162 IonicContact OD2-NH1 3.59Å
154I73.8Confident68.6Low135 Ų13589.1 Ų89.169%0.69247%0.473SS*.THydrogen-bonded Turntrans-88.5-40.3-171.2-54.1175.4000112Q150 C151Q150-I154 WeakPolarHBondContact O-CD1 3.39Å; C151-I154 PolarHBondContact O-N 3.32Å
155T76.6Confident69.2Low56 Ų5688.7 Ų88.734%0.34446%0.459SS..SBendtrans-106.7144.4-172.363.50000111.3C151 T157 G158 Q159C151-T155 HydrophobicContact CB-CG2 4.4Å; C151-T155 PolarHBondContact O-N 3.17Å; C151-T155 PolarHBondContact O-OG1 3.5Å; C151-T155 VanDerWaalsContact O-OG1 3.06Å; T155-T157 PolarHBondContact O-N 3.18Å; T155-T157 VanDerWaalsContact O-N 3.17Å; T155-G158 CarbonylContact O-C 3.27Å; T155-G158 WeakPolarHBondContact O-CA 3.49Å; T155-G158 PolarHBondContact O-N 3.22Å; T155-G158 PolarHBondContact OG1-N 3.46Å; T155-Q159 WeakPolarHBondContact O-CG 3.47Å; T155-Q159 PolarHBondContact O-N 3.05Å
156A73.6Confident69.8Low80 Ų8093.9 Ų93.966%0.66148%0.478SS*.Hα-helixtrans-55.4-35.5175.300000112.4K160A156-K160 WeakPolarHBondContact O-CB 3.28Å; A156-K160 PolarHBondContact O-N 2.91Å
157T71Confident70.4Confident79 Ų7991.8 Ų91.849%0.48546%0.464SS..Hα-helixtrans-64.6-43.8172.7-52.30000112.3T155 L161 F286T155-T157 PolarHBondContact O-N 3.18Å; T155-T157 VanDerWaalsContact O-N 3.17Å; T157-L161 WeakPolarHBondContact O-CB 3.49Å; T157-L161 PolarHBondContact O-N 3.01Å; T157-F286 HydrophobicContact CG2-CD1 4.03Å; T157-F286 HydrophobicContact CG2-CE1 3.52Å; T157-F286 HydrophobicContact CG2-CZ 4.43Å
158G75.6Confident70.1Confident5 Ų586.9 Ų86.95%0.05246%0.456CS..Hα-helixtrans-62.4-45.4174.500000112.3L152 T155 K160 L161 R162L152-G158 CarbonylContact O-C 2.86Å; L152-G158 WeakPolarHBondContact O-CA 3.47Å; T155-G158 CarbonylContact O-C 3.27Å; T155-G158 WeakPolarHBondContact O-CA 3.49Å; T155-G158 PolarHBondContact O-N 3.22Å; T155-G158 PolarHBondContact OG1-N 3.46Å; G158-K160 PolarHBondContact O-N 2.94Å; G158-L161 CarbonylContact O-C 3.52Å; G158-L161 WeakPolarHBondContact O-CA 3.49Å; G158-L161 WeakPolarHBondContact O-CB 3.35Å; G158-L161 PolarHBondContact O-N 3.4Å; G158-R162 PolarHBondContact O-N 3.36Å
159Q77.7Confident69.9Low94 Ų9489.1 Ų89.144%0.43946%0.455SS..Hα-helixtrans-65.2-42.3-178.9-69174.5-0.500110.4L152 D153 T155 L161 R162 N163L152-Q159 VanDerWaalsContact O-CA 3.28Å; L152-Q159 WeakPolarHBondContact O-CA 3.32Å; L152-Q159 WeakPolarHBondContact O-CG 3.48Å; L152-Q159 PolarHBondContact O-N 3.03Å; D153-Q159 PolarHBondContact O-NE2 3.18Å; T155-Q159 WeakPolarHBondContact O-CG 3.47Å; T155-Q159 PolarHBondContact O-N 3.05Å; Q159-L161 PolarHBondContact O-N 3.36Å; Q159-R162 PolarHBondContact O-N 2.88Å; Q159-N163 WeakPolarHBondContact O-CB 3.4Å; Q159-N163 PolarHBondContact O-N 3.42Å; Q159-N163 PolarHBondContact O-OD1 2.79Å
160K76.2Confident69.3Low146 Ų14687.1 Ų87.164%0.63544%0.444SS*.Hα-helixtrans-59.5-33170.9-173.2175.7-177.4178.20112.5A156 G158 R164A156-K160 WeakPolarHBondContact O-CB 3.28Å; A156-K160 PolarHBondContact O-N 2.91Å; G158-K160 PolarHBondContact O-N 2.94Å; K160-R164 WeakPolarHBondContact O-CG 3.31Å; K160-R164 PolarHBondContact O-N 3.31Å
161L69.3Low68.5Low42 Ų4285.2 Ų85.222%0.2245%0.447CS..Hα-helixtrans-77.5-41.2177.9-165.3134000111.9L149 L152 T157 G158 Q159 R164 Y165 L170L149-L161 HydrophobicContact CD1-CD2 4.33Å; L152-L161 HydrophobicContact CD2-CB 4.37Å; L152-L161 HydrophobicContact CD2-CD2 3.49Å; L152-L161 VanDerWaalsContact CD2-CD2 3.49Å; T157-L161 WeakPolarHBondContact O-CB 3.49Å; T157-L161 PolarHBondContact O-N 3.01Å; G158-L161 CarbonylContact O-C 3.52Å; G158-L161 WeakPolarHBondContact O-CA 3.49Å; G158-L161 WeakPolarHBondContact O-CB 3.35Å; G158-L161 PolarHBondContact O-N 3.4Å; Q159-L161 PolarHBondContact O-N 3.36Å; L161-R164 PolarHBondContact O-N 2.85Å; L161-Y165 HydrophobicContact CD2-CD2 3.91Å; L161-Y165 HydrophobicContact CD2-CE2 3.47Å; L161-Y165 VanDerWaalsContact CD2-CE2 3.47Å; L161-Y165 HydrophobicContact CG-CE2 4.4Å; L161-Y165 WeakPolarHBondContact O-CD2 3.17Å; L161-Y165 PolarHBondContact O-N 2.98Å; L161-Y165 VanDerWaalsContact O-N 3.1Å; L161-L170 HydrophobicContact CG-CD1 4.26Å
162R73.1Confident67.7Low101 Ų10186.3 Ų86.338%0.38145%0.454SS..Hα-helixtrans-57.4-46.5169.8172.5175.1166.2-178.9-0.2111.4L152 D153 G158 Q159 R164 Y165 H166L152-R162 HydrophobicContact CD2-CB 4.18Å; D153-R162 WeakPolarHBondContact OD1-CD 3.43Å; D153-R162 IonicContact OD1-CZ 3.75Å; D153-R162 IonicContact OD1-NE 2.67Å; D153-R162 IonicContact OD1-NH1 2.65Å; D153-R162 PolarHBondContact OD1-NH1 3.02Å; D153-R162 IonicContact OD2-NH1 3.59Å; G158-R162 PolarHBondContact O-N 3.36Å; Q159-R162 PolarHBondContact O-N 2.88Å; R162-R164 PolarHBondContact O-N 3.06Å; R162-Y165 WeakPolarHBondContact O-CB 3.27Å; R162-Y165 PolarHBondContact O-N 3.47Å; R162-Y165 VanDerWaalsContact O-N 3.15Å; R162-H166 VanDerWaalsContact CD-NE2 3.29Å; R162-H166 WeakPolarHBondContact CD-NE2 3.34Å; R162-H166 WeakPolarHBondContact CG-NE2 3.37Å; R162-H166 PolarHBondContact NE-NE2 3.33Å; R162-H166 PolarHBondContact O-CD2 3.24Å; R162-H166 PolarHBondContact O-N 2.87Å
163N71.1Confident66.7Low81 Ų8188.4 Ų88.443%0.43346%0.464SS..Hα-helixtrans-62.5-43.4178.5-67.1-2.6000111.2Q159 Y165 H166 E167Q159-N163 WeakPolarHBondContact O-CB 3.4Å; Q159-N163 PolarHBondContact O-N 3.42Å; Q159-N163 PolarHBondContact O-OD1 2.79Å; N163-Y165 VanDerWaalsContact C-N 3.28Å; N163-Y165 PolarHBondContact O-N 3.31Å; N163-H166 PolarHBondContact O-N 3.3Å; N163-E167 VanDerWaalsContact O-CB 3.31Å; N163-E167 WeakPolarHBondContact O-CB 3.17Å; N163-E167 WeakPolarHBondContact O-CG 3.38Å; N163-E167 PolarHBondContact O-N 3.27Å
164R68.3Low65.3Low102 Ų10287 Ų8739%0.38547%0.465SS..Hα-helixtrans-62.6-28.6174-72.6-170.2-58.3161.54114.5K160 L161 R162 G168 K169 L170K160-R164 WeakPolarHBondContact O-CG 3.31Å; K160-R164 PolarHBondContact O-N 3.31Å; L161-R164 PolarHBondContact O-N 2.85Å; R162-R164 PolarHBondContact O-N 3.06Å; R164-G168 PolarHBondContact O-N 2.81Å; R164-K169 HydrophobicContact CB-CB 4.46Å; R164-K169 PolarHBondContact O-N 3.18Å; R164-L170 HydrophobicContact CB-CD1 3.91Å; R164-L170 HydrophobicContact CB-CG 3.98Å; R164-L170 PolarHBondContact O-N 2.65Å
165Y65.6Low63.9Low108 Ų10887.6 Ų87.642%0.42448%0.478SS..Hα-helixtrans-69.8-49.2170.7-85.1-61.7000111.5L161 R162 N163 E167 G168 L170L161-Y165 HydrophobicContact CD2-CD2 3.91Å; L161-Y165 HydrophobicContact CD2-CE2 3.47Å; L161-Y165 VanDerWaalsContact CD2-CE2 3.47Å; L161-Y165 HydrophobicContact CG-CE2 4.4Å; L161-Y165 WeakPolarHBondContact O-CD2 3.17Å; L161-Y165 PolarHBondContact O-N 2.98Å; L161-Y165 VanDerWaalsContact O-N 3.1Å; R162-Y165 WeakPolarHBondContact O-CB 3.27Å; R162-Y165 PolarHBondContact O-N 3.47Å; R162-Y165 VanDerWaalsContact O-N 3.15Å; N163-Y165 VanDerWaalsContact C-N 3.28Å; N163-Y165 PolarHBondContact O-N 3.31Å; Y165-E167 VanDerWaalsContact C-N 3.29Å; Y165-E167 PolarHBondContact O-N 3.22Å; Y165-G168 PolarHBondContact O-N 3.36Å; Y165-G168 VanDerWaalsContact O-N 3.08Å; Y165-L170 HydrophobicContact CD1-CB 3.73Å; Y165-L170 HydrophobicContact CD1-CD1 3.92Å; Y165-L170 HydrophobicContact CD1-CG 4.48Å; Y165-L170 HydrophobicContact CD2-CD1 3.8Å; Y165-L170 HydrophobicContact CE1-CB 3.82Å; Y165-L170 HydrophobicContact CE1-CD1 3.92Å; Y165-L170 HydrophobicContact CE2-CD1 3.82Å; Y165-L170 HydrophobicContact CG-CB 4.36Å; Y165-L170 HydrophobicContact CG-CD1 3.86Å
166H66Low62.3Low165 Ų16588.4 Ų88.476%0.76450%0.497SS*.Hα-helixtrans-62.4-34.8177.2-71.5-58.3000112.8R162 N163 G168R162-H166 VanDerWaalsContact CD-NE2 3.29Å; R162-H166 WeakPolarHBondContact CD-NE2 3.34Å; R162-H166 WeakPolarHBondContact CG-NE2 3.37Å; R162-H166 PolarHBondContact NE-NE2 3.33Å; R162-H166 PolarHBondContact O-CD2 3.24Å; R162-H166 PolarHBondContact O-N 2.87Å; N163-H166 PolarHBondContact O-N 3.3Å; H166-G168 PolarHBondContact O-N 3.37Å
167E70.4Confident60.8Low104 Ų10488.8 Ų88.849%0.48649%0.487SS..THydrogen-bonded Turntrans-75.8-1.2175.9-68.7165.1-149.800113.7N163 Y165 K169N163-E167 VanDerWaalsContact O-CB 3.31Å; N163-E167 WeakPolarHBondContact O-CB 3.17Å; N163-E167 WeakPolarHBondContact O-CG 3.38Å; N163-E167 PolarHBondContact O-N 3.27Å; Y165-E167 VanDerWaalsContact C-N 3.29Å; Y165-E167 PolarHBondContact O-N 3.22Å; E167-K169 HydrophobicContact CB-CD 4.16Å; E167-K169 HydrophobicContact CB-CG 4.07Å; E167-K169 PolarHBondContact O-N 2.83Å; E167-K169 VanDerWaalsContact OE2-CD 3.27Å; E167-K169 WeakPolarHBondContact OE2-CD 3.28Å; E167-K169 WeakPolarHBondContact OE2-CE 3.21Å; E167-K169 IonicContact OE2-NZ 2.64Å; E167-K169 PolarHBondContact OE2-NZ 3.06Å
168G58.3Low59.3Low47 Ų4789.8 Ų89.849%0.48549%0.49SS..THydrogen-bonded Turntrans66.84.9-177.500000115.1R164 Y165 H166 L170 A171R164-G168 PolarHBondContact O-N 2.81Å; Y165-G168 PolarHBondContact O-N 3.36Å; Y165-G168 VanDerWaalsContact O-N 3.08Å; H166-G168 PolarHBondContact O-N 3.37Å; G168-L170 PolarHBondContact O-N 3.1Å; G168-A171 PolarHBondContact O-N 2.67Å; G168-A171 VanDerWaalsContact O-N 3.15Å
169K59.4Low57.7Low151 Ų15199.3 Ų99.366%0.65752%0.524SS*.  trans-73.4-15.6-179.9-66.1178.5-172.2161.30113.1R164 E167 A171R164-K169 HydrophobicContact CB-CB 4.46Å; R164-K169 PolarHBondContact O-N 3.18Å; E167-K169 HydrophobicContact CB-CD 4.16Å; E167-K169 HydrophobicContact CB-CG 4.07Å; E167-K169 PolarHBondContact O-N 2.83Å; E167-K169 VanDerWaalsContact OE2-CD 3.27Å; E167-K169 WeakPolarHBondContact OE2-CD 3.28Å; E167-K169 WeakPolarHBondContact OE2-CE 3.21Å; E167-K169 IonicContact OE2-NZ 2.64Å; E167-K169 PolarHBondContact OE2-NZ 3.06Å; K169-A171 VanDerWaalsContact C-N 3.34Å
170L56.9Low56Low49 Ų49100.4 Ų100.426%0.25754%0.537SS..SBendtrans-99.157.2162.3-67.9170.2000109.3L161 R164 Y165 G168L161-L170 HydrophobicContact CG-CD1 4.26Å; R164-L170 HydrophobicContact CB-CD1 3.91Å; R164-L170 HydrophobicContact CB-CG 3.98Å; R164-L170 PolarHBondContact O-N 2.65Å; Y165-L170 HydrophobicContact CD1-CB 3.73Å; Y165-L170 HydrophobicContact CD1-CD1 3.92Å; Y165-L170 HydrophobicContact CD1-CG 4.48Å; Y165-L170 HydrophobicContact CD2-CD1 3.8Å; Y165-L170 HydrophobicContact CE1-CB 3.82Å; Y165-L170 HydrophobicContact CE1-CD1 3.92Å; Y165-L170 HydrophobicContact CE2-CD1 3.82Å; Y165-L170 HydrophobicContact CG-CB 4.36Å; Y165-L170 HydrophobicContact CG-CD1 3.86Å; G168-L170 PolarHBondContact O-N 3.1Å
171A49Very low54.5Low70 Ų7098.7 Ų98.758%0.57954%0.535SS*.PPolyproline II helixtrans-58.9133.5171.600000109.2G168 K169 I173G168-A171 PolarHBondContact O-N 2.67Å; G168-A171 VanDerWaalsContact O-N 3.15Å; K169-A171 VanDerWaalsContact C-N 3.34Å; A171-I173 PolarHBondContact O-N 2.91Å
172P48.1Very low53.2Low85 Ų85104.4 Ų104.455%0.55255%0.553SS**PPolyproline II helixtrans-52139156.4-18.631.2000107.6A174P172-A174 PolarHBondContact O-N 3.04Å; P172-A174 VanDerWaalsContact O-N 3.17Å
173I49.2Very low51.8Low66 Ų66102.3 Ų102.334%0.33855%0.553SS.*SBendtrans-49.7128.5173.1-66.5-174.3000107.6L142 A171 I177L142-I173 HydrophobicContact CD1-CB 4.22Å; L142-I173 HydrophobicContact CD1-CD1 3.78Å; L142-I173 HydrophobicContact CD1-CG1 4.23Å; L142-I173 HydrophobicContact CD2-CD1 3.55Å; L142-I173 HydrophobicContact CD2-CG1 3.84Å; L142-I173 HydrophobicContact CG-CD1 4.31Å; A171-I173 PolarHBondContact O-N 2.91Å; I173-I177 HydrophobicContact CG2-CB 3.59Å; I173-I177 HydrophobicContact CG2-CD1 3.39Å; I173-I177 HydrophobicContact CG2-CG1 4.02Å; I173-I177 HydrophobicContact CG2-CG2 3.79Å
174A42.4Very low50.5Low60 Ų60100.5 Ų100.550%0.49655%0.546SS..PPolyproline II helixtrans-53.8146.5-163.900000111.9P172 G176 I177P172-A174 PolarHBondContact O-N 3.04Å; P172-A174 VanDerWaalsContact O-N 3.17Å; A174-G176 PolarHBondContact O-N 2.95Å; A174-I177 PolarHBondContact O-N 2.95Å
175P44.6Very low49.6Very low149 Ų14998.6 Ų98.697%0.96854%0.541SS*.THydrogen-bonded Turntrans-60.56-173.6-25.234.8000117.5
176G41.5Very low48.9Very low72 Ų7298.2 Ų98.274%0.74255%0.55SS*.THydrogen-bonded Turntrans-115.4-3.717600000115.3A174 N178A174-G176 PolarHBondContact O-N 2.95Å; G176-N178 PolarHBondContact O-N 3.34Å
177I44Very low48.3Very low89 Ų8997.9 Ų97.946%0.45654%0.542SS..SBendtrans-77.3113.2166.6-73.2166.1000106.7I173 A174I173-I177 HydrophobicContact CG2-CB 3.59Å; I173-I177 HydrophobicContact CG2-CD1 3.39Å; I173-I177 HydrophobicContact CG2-CG1 4.02Å; I173-I177 HydrophobicContact CG2-CG2 3.79Å; A174-I177 PolarHBondContact O-N 2.95Å
178N39.1Very low47.5Very low100 Ų10095.4 Ų95.454%0.53554%0.539SS..  trans-67.8146.5-167.4-146.5-24.8000109.3G176 V180 D181G176-N178 PolarHBondContact O-N 3.34Å; N178-V180 HydrophobicContact CB-CB 4.36Å; N178-V180 HydrophobicContact CB-CG2 4.45Å; N178-V180 PolarHBondContact O-N 3.06Å; N178-D181 PolarHBondContact O-N 3.15Å
179R42.4Very low47.4Very low204 Ų20496 Ų9677%0.7753%0.531SS*.THydrogen-bonded Turntrans-62.8-3.9178.9-147177.4-176.6-175.4-0113.2
180V41.7Very low47.3Very low117 Ų11792.7 Ų92.771%0.70952%0.518SS*.THydrogen-bonded Turntrans-86.1-33.6179.4-175.70000112N178N178-V180 HydrophobicContact CB-CB 4.36Å; N178-V180 HydrophobicContact CB-CG2 4.45Å; N178-V180 PolarHBondContact O-N 3.06Å
181D43.5Very low47.3Very low111 Ų11192.4 Ų92.459%0.59452%0.516SS*.THydrogen-bonded Turntrans-85.4-19.9-171.6-57.7-42.7000113.2N178N178-D181 PolarHBondContact O-N 3.15Å
182W41.8Very low47.6Very low162 Ų16293.8 Ų93.861%0.61451%0.506SS*.SBendtrans-122.4115.6174.8-82.492.5000110.4C184W182-C184 PolarHBondContact O-N 3.42Å
183P43.5Very low48.3Very low56 Ų5690.3 Ų90.336%0.36449%0.485SS..  trans-62.7106.9178.624.3-32.1000109.9F185P183-F185 VanDerWaalsContact C-N 3.3Å; P183-F185 HydrophobicContact CB-CE1 4.31Å; P183-F185 HydrophobicContact CB-CE2 4.28Å; P183-F185 HydrophobicContact CB-CZ 4.08Å; P183-F185 HydrophobicContact CG-CE1 4.4Å; P183-F185 HydrophobicContact CG-CE2 3.87Å; P183-F185 HydrophobicContact CG-CZ 3.72Å; P183-F185 WeakPolarHBondContact O-CD2 3.32Å; P183-F185 PolarHBondContact O-N 3.46Å
184C44.7Very low48.9Very low44 Ų4493.2 Ų93.230%0.29750%0.496SS..  trans-72.488.8170.1-67.10000107.9W182 T186W182-C184 PolarHBondContact O-N 3.42Å; C184-T186 PolarHBondContact O-N 3.39Å; C184-T186 PolarHBondContact O-OG1 2.89Å
185F48.5Very low49.7Very low61 Ų6196.4 Ų96.427%0.26850%0.499SS..  trans-59.277.9179.6-62.9-78.4000111.8L141 P183 D191 W192L141-F185 HydrophobicContact CD1-CD2 4.28Å; P183-F185 VanDerWaalsContact C-N 3.3Å; P183-F185 HydrophobicContact CB-CE1 4.31Å; P183-F185 HydrophobicContact CB-CE2 4.28Å; P183-F185 HydrophobicContact CB-CZ 4.08Å; P183-F185 HydrophobicContact CG-CE1 4.4Å; P183-F185 HydrophobicContact CG-CE2 3.87Å; P183-F185 HydrophobicContact CG-CZ 3.72Å; P183-F185 WeakPolarHBondContact O-CD2 3.32Å; P183-F185 PolarHBondContact O-N 3.46Å; F185-D191 WeakPolarHBondContact CA-OD2 3.34Å; F185-D191 HydrophobicContact CD1-CB 3.63Å; F185-D191 HydrophobicContact CE1-CB 4.19Å; F185-W192 HydrophobicContact CD1-CD2 4.47Å; F185-W192 HydrophobicContact CD1-CG 4.42Å; F185-W192 AromaticContact CD1-NE1 3.87Å; F185-W192 AromaticContact CE1-CD2 3.8Å; F185-W192 HydrophobicContact CE1-CD2 3.8Å; F185-W192 AromaticContact CE1-CE2 3.69Å; F185-W192 HydrophobicContact CE1-CE3 4.32Å; F185-W192 HydrophobicContact CE1-CG 4.09Å; F185-W192 HydrophobicContact CE1-CZ2 4.11Å; F185-W192 AromaticContact CE1-NE1 3.88Å; F185-W192 HydrophobicContact CZ-CD2 4.4Å; F185-W192 HydrophobicContact CZ-CH2 4.27Å; F185-W192 HydrophobicContact CZ-CZ2 4.02Å
186T51.6Low50.4Low100 Ų10093.6 Ų93.661%0.61348%0.479SS*.SBendtrans-102.5-21.1-176.938.20000110.7C184 D191C184-T186 PolarHBondContact O-N 3.39Å; C184-T186 PolarHBondContact O-OG1 2.89Å; T186-D191 PolarHBondContact N-OD2 3.22Å
187R52.6Low51.7Low158 Ų15890.8 Ų90.860%0.59645%0.448SS*.SBendtrans-132.876.6169.4-65.7-172.766.41551.9107.7I189 E190 D191R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.49Å; R187-I189 VanDerWaalsContact O-N 3.07Å; R187-E190 HydrophobicContact CB-CB 4.32Å; R187-E190 WeakPolarHBondContact CB-OE2 3.31Å; R187-E190 IonicContact CZ-OE1 3.87Å; R187-E190 IonicContact NE-OE1 3.85Å; R187-E190 PolarHBondContact NE-OE1 2.92Å; R187-E190 IonicContact NE-OE2 2.65Å; R187-E190 IonicContact NH2-OE1 3.21Å; R187-E190 PolarHBondContact NH2-OE1 3.39Å; R187-E190 PolarHBondContact O-N 2.92Å; R187-D191 VanDerWaalsContact C-OD2 3.23Å; R187-D191 WeakPolarHBondContact CA-OD2 3.49Å; R187-D191 PolarHBondContact N-OD2 3.28Å; R187-D191 WeakPolarHBondContact O-CB 3.48Å; R187-D191 PolarHBondContact O-N 3.19Å; R187-D191 VanDerWaalsContact O-OD2 3.12Å
188A54.1Low52.3Low53 Ų5391.3 Ų91.344%0.43846%0.46SS..Hα-helixtrans-48.8-45.4-163.600000113.9W192A188-W192 VanDerWaalsContact O-CB 3.28Å; A188-W192 WeakPolarHBondContact O-CB 3.28Å; A188-W192 PolarHBondContact O-N 3.33Å
189I55.5Low53.3Low59 Ų5990 Ų9030%0.30346%0.463SS..Hα-helixtrans-68.1-39.4-176.9-173.1174.6000112.8R187 S193 L204 P205 C206R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.49Å; R187-I189 VanDerWaalsContact O-N 3.07Å; I189-S193 WeakPolarHBondContact O-CB 3.47Å; I189-S193 PolarHBondContact O-N 3.47Å; I189-S193 PolarHBondContact O-OG 3.02Å; I189-L204 HydrophobicContact CD1-CB 4.32Å; I189-L204 HydrophobicContact CG1-CB 3.81Å; I189-P205 WeakPolarHBondContact CD1-O 3.36Å; I189-C206 HydrophobicContact CD1-CB 3.93Å
190E59Low54.1Low82 Ų8281.7 Ų81.738%0.38344%0.441SS..Hα-helixtrans-69.9-45.4175.2-62.492.2148.900111.6R187 W192 S193 H194R187-E190 HydrophobicContact CB-CB 4.32Å; R187-E190 WeakPolarHBondContact CB-OE2 3.31Å; R187-E190 IonicContact CZ-OE1 3.87Å; R187-E190 IonicContact NE-OE1 3.85Å; R187-E190 PolarHBondContact NE-OE1 2.92Å; R187-E190 IonicContact NE-OE2 2.65Å; R187-E190 IonicContact NH2-OE1 3.21Å; R187-E190 PolarHBondContact NH2-OE1 3.39Å; R187-E190 PolarHBondContact O-N 2.92Å; E190-W192 PolarHBondContact O-N 3.38Å; E190-S193 WeakPolarHBondContact O-CB 3.35Å; E190-S193 PolarHBondContact O-N 2.93Å; E190-H194 PolarHBondContact O-N 3.38Å
191D57.2Low55Low43 Ų4383.4 Ų83.423%0.2344%0.441CS..Hα-helixtrans-63-42.6-179.7-63.4-31.9000111.3F185 T186 R187 F195F185-D191 WeakPolarHBondContact CA-OD2 3.34Å; F185-D191 HydrophobicContact CD1-CB 3.63Å; F185-D191 HydrophobicContact CE1-CB 4.19Å; T186-D191 PolarHBondContact N-OD2 3.22Å; R187-D191 VanDerWaalsContact C-OD2 3.23Å; R187-D191 WeakPolarHBondContact CA-OD2 3.49Å; R187-D191 PolarHBondContact N-OD2 3.28Å; R187-D191 WeakPolarHBondContact O-CB 3.48Å; R187-D191 PolarHBondContact O-N 3.19Å; R187-D191 VanDerWaalsContact O-OD2 3.12Å; D191-F195 WeakPolarHBondContact O-CB 3.31Å; D191-F195 PolarHBondContact O-N 3.48Å
192W55.1Low55.6Low98 Ų9885 Ų8537%0.37144%0.443SS..Hα-helixtrans-69.1-35.2173.3-79.2114000112.9F185 A188 E190 F195 V196 L204F185-W192 HydrophobicContact CD1-CD2 4.47Å; F185-W192 HydrophobicContact CD1-CG 4.42Å; F185-W192 AromaticContact CD1-NE1 3.87Å; F185-W192 AromaticContact CE1-CD2 3.8Å; F185-W192 HydrophobicContact CE1-CD2 3.8Å; F185-W192 AromaticContact CE1-CE2 3.69Å; F185-W192 HydrophobicContact CE1-CE3 4.32Å; F185-W192 HydrophobicContact CE1-CG 4.09Å; F185-W192 HydrophobicContact CE1-CZ2 4.11Å; F185-W192 AromaticContact CE1-NE1 3.88Å; F185-W192 HydrophobicContact CZ-CD2 4.4Å; F185-W192 HydrophobicContact CZ-CH2 4.27Å; F185-W192 HydrophobicContact CZ-CZ2 4.02Å; A188-W192 VanDerWaalsContact O-CB 3.28Å; A188-W192 WeakPolarHBondContact O-CB 3.28Å; A188-W192 PolarHBondContact O-N 3.33Å; E190-W192 PolarHBondContact O-N 3.38Å; W192-F195 AromaticContact CE3-CD1 3.99Å; W192-F195 HydrophobicContact CE3-CD1 3.99Å; W192-F195 AromaticContact CZ3-CD1 3.94Å; W192-F195 HydrophobicContact CZ3-CD1 3.94Å; W192-F195 HydrophobicContact CZ3-CE1 4.21Å; W192-F195 PolarHBondContact O-N 2.98Å; W192-V196 WeakPolarHBondContact O-CB 3.4Å; W192-V196 WeakPolarHBondContact O-CG2 3.34Å; W192-V196 PolarHBondContact O-N 2.93Å; W192-L204 HydrophobicContact CB-CD1 3.5Å; W192-L204 HydrophobicContact CG-CD1 4.47Å
193S62.7Low56.4Low13 Ų1384.9 Ų84.99%0.09145%0.447CS..Hα-helixtrans-63-45175.6-62.80000111.3I189 E190 F195 V196 S197 L204I189-S193 WeakPolarHBondContact O-CB 3.47Å; I189-S193 PolarHBondContact O-N 3.47Å; I189-S193 PolarHBondContact O-OG 3.02Å; E190-S193 WeakPolarHBondContact O-CB 3.35Å; E190-S193 PolarHBondContact O-N 2.93Å; S193-F195 VanDerWaalsContact C-N 3.34Å; S193-F195 PolarHBondContact O-N 3.02Å; S193-V196 PolarHBondContact O-N 3.17Å; S193-S197 PolarHBondContact O-N 2.85Å; S193-L204 PolarHBondContact OG-N 3.36Å
194H61.2Low57.1Low127 Ų12785.6 Ų85.659%0.58845%0.447SS*.Hα-helixtrans-66.3-34.1176.3-176.1-86.6000112.6E190 S197 S198E190-H194 PolarHBondContact O-N 3.38Å; H194-S197 CarbonylContact O-C 3.56Å; H194-S197 VanDerWaalsContact O-C 3.27Å; H194-S198 WeakPolarHBondContact O-CA 3.43Å; H194-S198 PolarHBondContact O-N 3.06Å
195F59Low57.6Low126 Ų12689.2 Ų89.255%0.55347%0.47SS*.Hα-helixtrans-68.3-41.6174.5179.8-99.2000112.9D191 W192 S193D191-F195 WeakPolarHBondContact O-CB 3.31Å; D191-F195 PolarHBondContact O-N 3.48Å; W192-F195 AromaticContact CE3-CD1 3.99Å; W192-F195 HydrophobicContact CE3-CD1 3.99Å; W192-F195 AromaticContact CZ3-CD1 3.94Å; W192-F195 HydrophobicContact CZ3-CD1 3.94Å; W192-F195 HydrophobicContact CZ3-CE1 4.21Å; W192-F195 PolarHBondContact O-N 2.98Å; S193-F195 VanDerWaalsContact C-N 3.34Å; S193-F195 PolarHBondContact O-N 3.02Å
196V60.4Low57.6Low90 Ų9090.3 Ų90.355%0.54548%0.484SS..Hα-helixtrans-73.8-35179.3172.20000111.8W192 S193W192-V196 WeakPolarHBondContact O-CB 3.4Å; W192-V196 WeakPolarHBondContact O-CG2 3.34Å; W192-V196 PolarHBondContact O-N 2.93Å; S193-V196 PolarHBondContact O-N 3.17Å
197S67.7Low57.4Low13 Ų1393.1 Ų93.19%0.09150%0.495CS..  trans-143.3102.3173.9-179.70000110S193 H194 A199 G200 E201 F202S193-S197 PolarHBondContact O-N 2.85Å; H194-S197 CarbonylContact O-C 3.56Å; H194-S197 VanDerWaalsContact O-C 3.27Å; S197-A199 PolarHBondContact O-N 3.33Å; S197-G200 WeakPolarHBondContact O-CA 3.39Å; S197-G200 PolarHBondContact O-N 3.07Å; S197-G200 PolarHBondContact OG-N 2.96Å; S197-E201 PolarHBondContact OG-N 3Å; S197-E201 VanDerWaalsContact OG-N 3.15Å; S197-F202 PolarHBondContact OG-N 3.03Å
198S56.9Low57.1Low100 Ų10090.3 Ų90.370%0.69950%0.5SS*.THydrogen-bonded Turntrans-64.2-23.8175.851.70000113.1H194 G200H194-S198 WeakPolarHBondContact O-CA 3.43Å; H194-S198 PolarHBondContact O-N 3.06Å; S198-G200 VanDerWaalsContact C-N 3.28Å
199A61Low56.8Low73 Ų7396.3 Ų96.360%0.60352%0.516SS*.THydrogen-bonded Turntrans-77.2-10.9170.600000113.4S197 E201S197-A199 PolarHBondContact O-N 3.33Å; A199-E201 VanDerWaalsContact C-N 3.28Å; A199-E201 HydrophobicContact CB-CG 3.96Å; A199-E201 PolarHBondContact O-N 3.27Å
200G58.6Low56.2Low30 Ų30105.4 Ų105.431%0.30955%0.546SS..SBendtrans7413.1-179.600000115S197 S198 K203S197-G200 WeakPolarHBondContact O-CA 3.39Å; S197-G200 PolarHBondContact O-N 3.07Å; S197-G200 PolarHBondContact OG-N 2.96Å; S198-G200 VanDerWaalsContact C-N 3.28Å; G200-K203 VanDerWaalsContact O-CE 3.24Å; G200-K203 WeakPolarHBondContact O-CE 3.4Å
201E60.2Low55.6Low153 Ų153107.6 Ų107.672%0.71557%0.565SS**  trans-70.5-38.5-179.9-63.7175.7161.100111.5S197 A199S197-E201 PolarHBondContact OG-N 3Å; S197-E201 VanDerWaalsContact OG-N 3.15Å; A199-E201 VanDerWaalsContact C-N 3.28Å; A199-E201 HydrophobicContact CB-CG 3.96Å; A199-E201 PolarHBondContact O-N 3.27Å
202F56.2Low55Low143 Ų143114.8 Ų114.863%0.62760%0.597SS**SBendtrans-106.398.5175.9-62.4-86.6000110.5S197S197-F202 PolarHBondContact OG-N 3.03Å
203K59.4Low54.3Low160 Ų160112.9 Ų112.970%0.69661%0.608SS**  trans-95.1136.2172.7-64.3178.9-176.4174.40110G200G200-K203 VanDerWaalsContact O-CE 3.24Å; G200-K203 WeakPolarHBondContact O-CE 3.4Å
204L57Low53.4Low71 Ų71119.5 Ų119.537%0.37264%0.642SS.*  trans-64.2143.2173.4-69.6-179.8000110.4I189 W192 S193 C206I189-L204 HydrophobicContact CD1-CB 4.32Å; I189-L204 HydrophobicContact CG1-CB 3.81Å; W192-L204 HydrophobicContact CB-CD1 3.5Å; W192-L204 HydrophobicContact CG-CD1 4.47Å; S193-L204 PolarHBondContact OG-N 3.36Å; L204-C206 PolarHBondContact O-N 3.07Å; L204-C206 VanDerWaalsContact O-N 3.1Å
205P55.4Low52.7Low120 Ų120117.7 Ų117.778%0.77964%0.643SS**  trans-59115-178.6-25.434.6000112.4I189 L207I189-P205 WeakPolarHBondContact CD1-O 3.36Å; P205-L207 PolarHBondContact O-N 3.2Å
206C48.1Very low52Low84 Ų84113.9 Ų113.957%0.56864%0.64SS**  trans-79.8113.1176.656.70000110.9I189 L204 S208I189-C206 HydrophobicContact CD1-CB 3.93Å; L204-C206 PolarHBondContact O-N 3.07Å; L204-C206 VanDerWaalsContact O-N 3.1Å; C206-S208 PolarHBondContact O-N 3Å
207L48.3Very low51.3Low159 Ų159120.1 Ų120.183%0.83266%0.655SS**THydrogen-bonded Turntrans-73.336.1-177-158.678.2000113.5P205P205-L207 PolarHBondContact O-N 3.2Å
208S46.8Very low50Low100 Ų100121.2 Ų121.270%0.69967%0.665SS**THydrogen-bonded Turntrans-94.2-13.8175.961.80000113.1C206C206-S208 PolarHBondContact O-N 3Å
209K46.3Very low49.7Very low179 Ų179121.2 Ų121.278%0.77866%0.66SS**SBendtrans-101.9137.7173.5-64.2-177.6-178.2178.80109.9V211K209-V211 PolarHBondContact O-N 2.91Å
210R44.2Very low49.2Very low250 Ų250128.6 Ų128.694%0.94367%0.672SS**SBendtrans-61.5119.7-174-75178.2172173.5-3.3111.5
211V45.1Very low48.8Very low127 Ų127136.9 Ų136.977%0.7770%0.696SS**  trans44.776.1151.7-163.40000115.3K209K209-V211 PolarHBondContact O-N 2.91Å
212E44.8Very low48.4Very low194 Ų194134.9 Ų134.991%0.90769%0.69SS**  trans-83.6114.7130.1-75.3177.4-176.900106.1
213G40.2Very low48.1Very low58 Ų58136.8 Ų136.860%0.59870%0.697SS**  trans-65.1135.9-170.800000111.9S215G213-S215 VanDerWaalsContact C-N 3.27Å; G213-S215 PolarHBondContact O-N 2.87Å
214L44.5Very low47.8Very low153 Ų153134.8 Ų134.880%0.80170%0.701SS**  trans-63.885.3172.1-105136.5000110.6G216L214-G216 PolarHBondContact O-N 2.83Å
215S46.4Very low47.6Very low89 Ų89138.6 Ų138.662%0.62272%0.722SS**THydrogen-bonded Turntrans-72.825.9176.8-159.20000113.3G213G213-S215 VanDerWaalsContact C-N 3.27Å; G213-S215 PolarHBondContact O-N 2.87Å
216G45.5Very low47.4Very low46 Ų46139.5 Ų139.547%0.47473%0.725SS.*THydrogen-bonded Turntrans-78.8-25.4-179.400000114L214 V219L214-G216 PolarHBondContact O-N 2.83Å; G216-V219 VanDerWaalsContact O-CG2 3.29Å; G216-V219 WeakPolarHBondContact O-CG2 3.19Å
217Y43.8Very low47.4Very low220 Ų220141.3 Ų141.386%0.86373%0.733SS**THydrogen-bonded Turntrans-82.6-13.3-178.1-75.4-80.2000114
218A41Very low47.1Very low37 Ų37141.7 Ų141.731%0.30673%0.731SS.*THydrogen-bonded Turntrans-84-6.3178.400000114R220 Y221 L222A218-R220 PolarHBondContact O-N 3.08Å; A218-Y221 PolarHBondContact O-N 2.77Å; A218-L222 PolarHBondContact O-N 2.97Å
219V50Low47.1Very low99 Ų99140.7 Ų140.760%0.672%0.724SS**THydrogen-bonded Turntrans-56.2-25.5-173.3174.90000113.8G216 Y221G216-V219 VanDerWaalsContact O-CG2 3.29Å; G216-V219 WeakPolarHBondContact O-CG2 3.19Å; V219-Y221 VanDerWaalsContact C-N 3.29Å; V219-Y221 PolarHBondContact O-N 3.09Å
220R50.6Low46.9Very low228 Ų228142.6 Ų142.686%0.8673%0.726SS**THydrogen-bonded Turntrans-74.3-14.4175.7-61.8-171.8-175.5-144.30.8114.8A218A218-R220 PolarHBondContact O-N 3.08Å
221Y50Low47Very low204 Ų204141.4 Ų141.480%0.872%0.722SS**THydrogen-bonded Turntrans-118.8-2.4-175.5-57.6-71.3000113.1A218 V219A218-Y221 PolarHBondContact O-N 2.77Å; V219-Y221 VanDerWaalsContact C-N 3.29Å; V219-Y221 PolarHBondContact O-N 3.09Å
222L53.8Low46.7Very low112 Ų112143.8 Ų143.859%0.58673%0.725SS**SBendtrans-77.6128.7170.4-65.8175.6000109.2A218A218-L222 PolarHBondContact O-N 2.97Å
223K48Very low46.5Very low182 Ų182143.7 Ų143.779%0.79172%0.724SS**PPolyproline II helixtrans-63.5137.1164.4-171.9179.3-179.6-1770107.5D225K223-D225 PolarHBondContact O-N 3.41Å; K223-D225 VanDerWaalsContact O-N 3.13Å
224P53.7Low46.2Very low118 Ų118145.4 Ų145.477%0.76673%0.733SS**PPolyproline II helixtrans-63.3118.5176.325.3-33.4000109.5
225D52.4Low45.9Very low152 Ų152146.6 Ų146.681%0.81374%0.739SS**PPolyproline II helixtrans-68.9139.9171.6-78.4-39.1000109.9K223 T227K223-D225 PolarHBondContact O-N 3.41Å; K223-D225 VanDerWaalsContact O-N 3.13Å; D225-T227 PolarHBondContact O-N 2.67Å
226V51.5Low45.3Very low138 Ų138148.5 Ų148.584%0.83675%0.751SS**PPolyproline II helixtrans-66.5121.2174.5179.90000108Q228V226-Q228 PolarHBondContact O-N 2.95Å
227T47.8Very low44.7Very low123 Ų123149.6 Ų149.676%0.75576%0.762SS**  trans-60.3112-17941.40000110.7D225 S229D225-T227 PolarHBondContact O-N 2.67Å; T227-S229 PolarHBondContact O-N 2.79Å
228Q43.5Very low44.6Very low166 Ų166143 Ų14378%0.77675%0.754SS**  trans-71.280.2171-69.1-166.329.500109.7V226V226-Q228 PolarHBondContact O-N 2.95Å
229S46.4Very low44.2Very low80 Ų80154 Ų15456%0.55979%0.787SS**  trans-75.3146.4159.552.60000109.2T227T227-S229 PolarHBondContact O-N 2.79Å
230W42.3Very low43.5Very low218 Ų218154.4 Ų154.483%0.82680%0.801SS**  trans70.462.6174.5-37.1100.8000116.8
231R46.3Very low42.8Very low226 Ų226147.1 Ų147.185%0.85380%0.797SS**  trans-117.787.2138.6-72-170.7-167.7-96.50.7109.3
232Q37.9Very low42Very low176 Ų176148.9 Ų148.982%0.82280%0.802SS**  trans-125.5112.8166.3-162.7166.417.700107A234Q232-A234 PolarHBondContact O-N 3.36Å
233E40.1Very low41.3Very low193 Ų193149.7 Ų149.790%0.90281%0.814SS**  trans-64116.2176.6-73.6179.6129.300109.2L235E233-L235 PolarHBondContact O-N 3.24Å; E233-L235 VanDerWaalsContact O-N 3.11Å
234A34.5Very low40.8Very low94 Ų94147 Ų14778%0.77782%0.817SS**  trans-75.897.7170.400000108.9Q232 C236Q232-A234 PolarHBondContact O-N 3.36Å; A234-C236 VanDerWaalsContact C-N 3.31Å; A234-C236 PolarHBondContact O-N 3.1Å
235L38.8Very low39.9Very low177 Ų177146.8 Ų146.893%0.92782%0.818SS**  trans-60.895.5161.8-88.6164000108.6E233 G237E233-L235 PolarHBondContact O-N 3.24Å; E233-L235 VanDerWaalsContact O-N 3.11Å; L235-G237 PolarHBondContact O-N 3.41Å
236C33.5Very low39.5Very low129 Ų129145.4 Ų145.487%0.87282%0.817SS**  trans-75.294.8-177.2-156.10000110A234 A238A234-C236 VanDerWaalsContact C-N 3.31Å; A234-C236 PolarHBondContact O-N 3.1Å; C236-A238 PolarHBondContact O-N 2.88Å
237G33.5Very low39.2Very low69 Ų69146.3 Ų146.371%0.71182%0.817SS**  trans-69.696.8178.300000113.1L235L235-G237 PolarHBondContact O-N 3.41Å
238A40.3Very low38.7Very low83 Ų83145.8 Ų145.869%0.68682%0.819SS**  trans30.2103.7146.400000119.5C236C236-A238 PolarHBondContact O-N 2.88Å
239W32.5Very low38.4Very low268 Ų268143.3 Ų143.3100%1.01582%0.82SS**  trans-143.671.3138.2-76.195.8000109.9
240A36.7Very low37.8Very low107 Ų107145.1 Ų145.188%0.88483%0.831SS**  trans-97.4126173.300000110.3
241G35.2Very low37.7Very low75 Ų75140 Ų14077%0.77383%0.826SS**  trans134.761.5158.900000119.1
242R32.7Very low37.4Very low240 Ų240139 Ų13991%0.90682%0.824SS**  trans-144.4136.4137.8-72.3-161.4-176-109.9-3.5110
243P40.3Very low37.6Very low129 Ų129136.3 Ų136.384%0.83882%0.821SS**PPolyproline II helixtrans-73.7147.4173.2-12.428.5000111.7
244C36.3Very low37.9Very low127 Ų127132.8 Ų132.886%0.85882%0.816SS**PPolyproline II helixtrans-77.9140.5169.5-58.10000110.8
245S35.6Very low38.1Very low112 Ų112133.5 Ų133.578%0.78382%0.815SS**PPolyproline II helixtrans-72.1150.3168.6-71.50000111.5D247S245-D247 PolarHBondContact O-N 2.87Å; S245-D247 VanDerWaalsContact O-N 3.11Å
246P44.6Very low38.3Very low123 Ų123130.3 Ų130.380%0.79981%0.805SS**SBendtrans-90.858.5-168.238.6-37.6000113
247D44.1Very low38.7Very low157 Ų157128.3 Ų128.384%0.8479%0.79SS**  trans-147.280.4174.8-90.1-46.5000112.2S245S245-D247 PolarHBondContact O-N 2.87Å; S245-D247 VanDerWaalsContact O-N 3.11Å
248S37.1Very low39Very low113 Ų113133.6 Ų133.679%0.7980%0.796SS**  trans-162.4133.2140.649.80000110.4
249S37.8Very low38.9Very low113 Ų113139 Ų13979%0.7980%0.8SS**  trans-71.3125.5178.1420000111P251S249-P251 WeakPolarHBondContact O-CD 3.05Å
250C34.5Very low39.2Very low118 Ų118131.3 Ų131.380%0.79779%0.786SS**  trans-76.5124.9169.3-57.50000110.9
251P39.5Very low39.3Very low111 Ų111133.8 Ų133.872%0.72178%0.784SS**  trans-110.1123.9133.433-28000108.1S249S249-P251 WeakPolarHBondContact O-CD 3.05Å
252Y40.3Very low39.4Very low206 Ų206135.9 Ų135.981%0.80878%0.777SS**  trans-57.1147.8-179.3-60.8-86.8000112.5
253P42Very low39.6Very low119 Ų119133 Ų13377%0.77377%0.774SS**  trans-95.9112.4136-15.832.1000109.9C255P253-C255 PolarHBondContact O-N 3.1Å; P253-C255 VanDerWaalsContact O-N 3.08Å
254C46.9Very low39.6Very low118 Ų118132.3 Ų132.380%0.79776%0.763SS**  trans-69.598.4168.3-60.20000109.5
255C37.1Very low39.9Very low110 Ų110132.6 Ų132.674%0.74376%0.763SS**  trans-137116.6166.5-76.30000109.9P253P253-C255 PolarHBondContact O-N 3.1Å; P253-C255 VanDerWaalsContact O-N 3.08Å
256P44.5Very low40.5Very low110 Ų110131.8 Ų131.871%0.71476%0.758SS**  trans-65.1151.516230.7-33.4000108.9Q258P256-Q258 PolarHBondContact O-N 3.1Å
257P41.7Very low40.6Very low87 Ų87133.6 Ų133.657%0.56576%0.76SS**  trans-58.6116.6173.823.5-32.4000109.7Y259P257-Y259 HydrophobicContact CB-CE2 4.29Å; P257-Y259 HydrophobicContact CG-CE2 3.75Å; P257-Y259 VanDerWaalsContact O-CD2 3.28Å; P257-Y259 WeakPolarHBondContact O-CD2 3.03Å; P257-Y259 PolarHBondContact O-N 3.27Å
258Q39.4Very low40.8Very low180 Ų180131 Ų13184%0.84175%0.746SS**  trans-68.597.4168.5-87.7-177.9-21.900108.5P256 C260P256-Q258 PolarHBondContact O-N 3.1Å; Q258-C260 PolarHBondContact O-N 3.24Å
259Y38.3Very low41.2Very low197 Ų197136.2 Ų136.277%0.77375%0.748SS**  trans-69.482.3166.7-59.9-79.1000109.2P257 L261P257-Y259 HydrophobicContact CB-CE2 4.29Å; P257-Y259 HydrophobicContact CG-CE2 3.75Å; P257-Y259 VanDerWaalsContact O-CD2 3.28Å; P257-Y259 WeakPolarHBondContact O-CD2 3.03Å; P257-Y259 PolarHBondContact O-N 3.27Å; Y259-L261 VanDerWaalsContact C-N 3.34Å; Y259-L261 PolarHBondContact O-N 3.43Å
260C37.8Very low41.6Very low106 Ų106140.4 Ų140.472%0.71675%0.748SS**  trans-63.598.4164.3-68.60000108Q258 N262Q258-C260 PolarHBondContact O-N 3.24Å; C260-N262 PolarHBondContact O-N 3.28Å
261L39Very low42.3Very low159 Ų159136.2 Ų136.283%0.83273%0.725SS**  trans-65.977.5168.6-87166.6000109.3Y259 Q263Y259-L261 VanDerWaalsContact C-N 3.34Å; Y259-L261 PolarHBondContact O-N 3.43Å; L261-Q263 PolarHBondContact O-N 3.05Å; L261-Q263 VanDerWaalsContact O-N 3.11Å
262N38.1Very low42.5Very low118 Ų118140.2 Ų140.263%0.63173%0.734SS**  trans-71.6103.7172.7-170.78.4000108.2C260 N264C260-N262 PolarHBondContact O-N 3.28Å; N262-N264 PolarHBondContact O-N 3.41Å
263Q37.7Very low42.8Very low180 Ų180139.1 Ų139.184%0.84173%0.733SS**  trans-68.281.7168-77.1-169-7.900109.2L261 P265L261-Q263 PolarHBondContact O-N 3.05Å; L261-Q263 VanDerWaalsContact O-N 3.11Å; Q263-P265 VanDerWaalsContact O-CD 3.24Å; Q263-P265 WeakPolarHBondContact O-CD 3.48Å
264N38.5Very low43Very low115 Ų115139 Ų13962%0.61573%0.733SS**  trans-67.7118.6157.1-71.8-39.4000107N262 S266N262-N264 PolarHBondContact O-N 3.41Å; N264-S266 PolarHBondContact O-N 2.91Å
265P42.6Very low42.8Very low132 Ų132139.2 Ų139.286%0.85773%0.725SS**  trans-76.856.5173.634.6-36.1000109.8Q263 L267Q263-P265 VanDerWaalsContact O-CD 3.24Å; Q263-P265 WeakPolarHBondContact O-CD 3.48Å; P265-L267 PolarHBondContact O-N 2.93Å
266S48.1Very low42.9Very low95 Ų95138.4 Ų138.466%0.66472%0.718SS**  trans-68.4112.5163.355.10000107.1N264 D268N264-S266 PolarHBondContact O-N 2.91Å; S266-D268 PolarHBondContact O-N 3.13Å
267L46.8Very low42.7Very low162 Ų162142.6 Ų142.685%0.84873%0.726SS**  trans-41.8114.5158.3-92.2147.5000107.8P265 R269P265-L267 PolarHBondContact O-N 2.93Å; L267-R269 PolarHBondContact O-N 3.01Å
268D48.1Very low42.7Very low102 Ų102144.8 Ų144.855%0.54573%0.733SS.*  trans-54.5119.1-178.9177.25.8000108.1S266 Y270 G271S266-D268 PolarHBondContact O-N 3.13Å; D268-Y270 PolarHBondContact O-N 3.06Å; D268-Y270 VanDerWaalsContact O-N 3.13Å; D268-Y270 PolarHBondContact OD1-N 3.05Å; D268-G271 PolarHBondContact O-N 3Å; D268-G271 PolarHBondContact OD1-N 3.11Å; D268-G271 PolarHBondContact OD2-N 2.89Å
269R47Very low42.7Very low223 Ų223139.2 Ų139.284%0.84271%0.714SS**THydrogen-bonded Turntrans-61.6-22.8-178.5-174.4178.8-71.6-176-2111.1L267L267-R269 PolarHBondContact O-N 3.01Å
270Y46.3Very low42.9Very low200 Ų200135.6 Ų135.678%0.78471%0.707SS**THydrogen-bonded Turntrans-106.1-0177.1-49.8-72.8000112.5D268D268-Y270 PolarHBondContact O-N 3.06Å; D268-Y270 VanDerWaalsContact O-N 3.13Å; D268-Y270 PolarHBondContact OD1-N 3.05Å
271G48.4Very low43.1Very low30 Ų30133.9 Ų133.931%0.30969%0.691SS.*SBendtrans-70.7141.6178.900000111.6D268 K273D268-G271 PolarHBondContact O-N 3Å; D268-G271 PolarHBondContact OD1-N 3.11Å; D268-G271 PolarHBondContact OD2-N 2.89Å; G271-K273 PolarHBondContact O-N 2.87Å
272Q43.6Very low43.1Very low196 Ų196132.1 Ų132.192%0.91669%0.687SS**  trans-65.4110.2178.2-151.6173.235.400109.3
273K46.9Very low43.1Very low182 Ų182133.8 Ų133.879%0.79169%0.689SS**PPolyproline II helixtrans-61.3127.7178.4-70.3-179.5-179.3174.80109.2G271 L275G271-K273 PolarHBondContact O-N 2.87Å; K273-L275 PolarHBondContact O-N 3.3Å
274P46.2Very low43.2Very low117 Ų117134.3 Ų134.376%0.7668%0.683SS**PPolyproline II helixtrans-62.5125.6177.125.4-33000109.3
275L43.4Very low43.1Very low122 Ų122132.6 Ų132.664%0.63968%0.68SS**PPolyproline II helixtrans-66131.6177-70.9170000109.4K273 F277K273-L275 PolarHBondContact O-N 3.3Å; L275-F277 PolarHBondContact O-N 2.87Å
276P39.5Very low43Very low93 Ų93133.8 Ų133.860%0.60467%0.672SS**PPolyproline II helixtrans-63.5135.2173.124.7-30.6000109.6D278 S279P276-D278 PolarHBondContact O-N 3.4Å; P276-D278 VanDerWaalsContact O-N 3.1Å; P276-S279 VanDerWaalsContact O-CB 3.3Å; P276-S279 WeakPolarHBondContact O-CB 3.3Å; P276-S279 PolarHBondContact O-N 2.99Å; P276-S279 PolarHBondContact O-OG 3.19Å
277F39.9Very low42.4Very low198 Ų198132.3 Ų132.387%0.86867%0.672SS**G310 helixtrans-51.3-35.7-172.8172.7-100.9000114.4L275 S279L275-F277 PolarHBondContact O-N 2.87Å; F277-S279 VanDerWaalsContact C-N 3.32Å; F277-S279 PolarHBondContact O-N 3.19Å
278D42.1Very low42.2Very low133 Ų133127.7 Ų127.771%0.71165%0.654SS**G310 helixtrans-75.2-11.5179.5-85.4-42.6000115.1P276 L280P276-D278 PolarHBondContact O-N 3.4Å; P276-D278 VanDerWaalsContact O-N 3.1Å; D278-L280 PolarHBondContact O-N 3.44Å; D278-L280 VanDerWaalsContact O-N 3.09Å
279S38.8Very low42.1Very low64 Ų64128.5 Ų128.545%0.44867%0.667SS.*G310 helixtrans-65.2-16.7-171.356.20000115.7P276 F277P276-S279 VanDerWaalsContact O-CB 3.3Å; P276-S279 WeakPolarHBondContact O-CB 3.3Å; P276-S279 PolarHBondContact O-N 2.99Å; P276-S279 PolarHBondContact O-OG 3.19Å; F277-S279 VanDerWaalsContact C-N 3.32Å; F277-S279 PolarHBondContact O-N 3.19Å
280L43.2Very low41.8Very low120 Ų120127.9 Ų127.963%0.62867%0.666SS**G310 helixtrans-109.7-0.6-169.5-69.6177.6000115.4D278D278-L280 PolarHBondContact O-N 3.44Å; D278-L280 VanDerWaalsContact O-N 3.09Å
281N40.8Very low41.7Very low70 Ų70122.1 Ų122.137%0.37466%0.655SS.*  trans-151.630.6-160-122.3-11.5000122.9F283 R284 S285N281-F283 PolarHBondContact O-N 2.92Å; N281-R284 PolarHBondContact O-N 3.13Å; N281-R284 VanDerWaalsContact O-N 3.07Å; N281-R284 WeakPolarHBondContact OD1-CB 3.24Å; N281-R284 WeakPolarHBondContact OD1-CD 3.28Å; N281-R284 WeakPolarHBondContact OD1-CG 3.46Å; N281-R284 PolarHBondContact OD1-N 3.25Å; N281-S285 WeakPolarHBondContact O-CB 3.29Å; N281-S285 PolarHBondContact O-N 2.82Å; N281-S285 PolarHBondContact O-OG 3.24Å; N281-S285 VanDerWaalsContact O-OG 3.08Å
282T39.3Very low41.3Very low122 Ų122130.7 Ų130.775%0.74868%0.678SS**THydrogen-bonded Turntrans-53.1-22.9170.6-39.90000114.2
283F38Very low41Very low154 Ų154126.9 Ų126.968%0.67567%0.668SS**THydrogen-bonded Turntrans-101.3-4.2-179.9-66.8-73.6000115.8N281N281-F283 PolarHBondContact O-N 2.92Å
284R39.2Very low40.5Very low190 Ų190125 Ų12572%0.71767%0.667SS**THydrogen-bonded Turntrans-128.33.1171.1-39.8166.4170.7-104.41114.2N281 F286N281-R284 PolarHBondContact O-N 3.13Å; N281-R284 VanDerWaalsContact O-N 3.07Å; N281-R284 WeakPolarHBondContact OD1-CB 3.24Å; N281-R284 WeakPolarHBondContact OD1-CD 3.28Å; N281-R284 WeakPolarHBondContact OD1-CG 3.46Å; N281-R284 PolarHBondContact OD1-N 3.25Å; R284-F286 PolarHBondContact O-N 3.07Å
285S36Very low39.9Very low80 Ų80129.4 Ų129.456%0.55967%0.67SS**  trans-70.481.516852.40000110.7N281 G287N281-S285 WeakPolarHBondContact O-CB 3.29Å; N281-S285 PolarHBondContact O-N 2.82Å; N281-S285 PolarHBondContact O-OG 3.24Å; N281-S285 VanDerWaalsContact O-OG 3.08Å; S285-G287 PolarHBondContact O-N 2.84Å
286F40.9Very low39.7Very low156 Ų156131.2 Ų131.268%0.68468%0.679SS**  trans-71.570.5161.6-62.6-65.6000109.4T157 R284 S288T157-F286 HydrophobicContact CG2-CD1 4.03Å; T157-F286 HydrophobicContact CG2-CE1 3.52Å; T157-F286 HydrophobicContact CG2-CZ 4.43Å; R284-F286 PolarHBondContact O-N 3.07Å; F286-S288 PolarHBondContact O-N 2.8Å
287G37Very low39.5Very low64 Ų64132.8 Ų132.866%0.6669%0.687SS**  trans-62.195.1173.900000110.3S285S285-G287 PolarHBondContact O-N 2.84Å
288S41.4Very low39.3Very low66 Ų66128.6 Ų128.646%0.46268%0.68SS.*  trans-91.3149.9157.782.40000107.9F286 Y290 S291F286-S288 PolarHBondContact O-N 2.8Å; S288-Y290 PolarHBondContact O-N 3.11Å; S288-Y290 PolarHBondContact OG-N 3.11Å; S288-S291 PolarHBondContact O-N 2.92Å; S288-S291 VanDerWaalsContact O-N 3.1Å; S288-S291 PolarHBondContact O-OG 2.77Å
289S45.5Very low39.1Very low118 Ų118134.4 Ų134.483%0.82569%0.692SS**THydrogen-bonded Turntrans-61.8-3.9177.4-45.20000114
290Y42.1Very low38.9Very low211 Ų211144 Ų14483%0.82773%0.729SS**THydrogen-bonded Turntrans-105.2-2.6-179-61.4-79.3000113.8S288 R292S288-Y290 PolarHBondContact O-N 3.11Å; S288-Y290 PolarHBondContact OG-N 3.11Å; Y290-R292 PolarHBondContact O-N 2.96Å
291S43.2Very low38.7Very low79 Ų79145.2 Ų145.255%0.55273%0.734SS**  trans-77.948.217772.10000113.1S288 V293S288-S291 PolarHBondContact O-N 2.92Å; S288-S291 VanDerWaalsContact O-N 3.1Å; S288-S291 PolarHBondContact O-OG 2.77Å; S291-V293 PolarHBondContact O-N 2.87Å
292R40.7Very low38.6Very low210 Ų210149.1 Ų149.179%0.79275%0.753SS**  trans-83.999.9165.8-73.9-171.4177.9-173.2-0.6108.7Y290 N294Y290-R292 PolarHBondContact O-N 2.96Å; R292-N294 PolarHBondContact O-N 3.05Å
293V36.3Very low38.6Very low116 Ų116150.6 Ų150.670%0.70375%0.753SS**  trans-76.3103.4171.8179.10000108S291 Y295S291-V293 PolarHBondContact O-N 2.87Å; V293-Y295 HydrophobicContact CG1-CD2 3.63Å; V293-Y295 HydrophobicContact CG1-CG 4.4Å; V293-Y295 PolarHBondContact O-N 3.08Å
294N36.3Very low38.6Very low143 Ų143150.4 Ų150.477%0.76576%0.758SS**  trans-71.921.7-173.1-74.2-19.2000115.4R292R292-N294 PolarHBondContact O-N 3.05Å
295Y35.1Very low38.6Very low209 Ų209147.9 Ų147.982%0.8276%0.76SS**  trans-91.76.7-173-73.8-60.8000115.5V293V293-Y295 HydrophobicContact CG1-CD2 3.63Å; V293-Y295 HydrophobicContact CG1-CG 4.4Å; V293-Y295 PolarHBondContact O-N 3.08Å
296L37.9Very low38.7Very low160 Ų160152.5 Ų152.584%0.83877%0.773SS**  trans-137.873.8178.5-69173.8000112.1P298L296-P298 WeakPolarHBondContact O-CD 3.07Å
297T35.6Very low38.6Very low126 Ų126152.2 Ų152.277%0.77378%0.78SS**  trans-77.8112139.645.70000106.8
298P36Very low38.7Very low109 Ų109159 Ų15971%0.70879%0.789SS**  trans-62.5141.517227.5-33000109.2L296L296-P298 WeakPolarHBondContact O-CD 3.07Å
299W37.9Very low38.5Very low255 Ų255166.8 Ų166.897%0.96682%0.816SS**  trans-62138.9174.7-60.783.9000109.6
300H34.9Very low37.8Very low265 Ų265171.2 Ų171.2100%1.22782%0.816SS**  trans-70.50177.7-95.5-73.1000112.5

Retrieved 300 of 300 residues in 90.6 ms (Link to these results)