A0A096N2L4_PAPAN Loading...

Transcription factor

AlphaFold DB (Q14186), UniProt , Accession A0A096N2L4, Species PAPAN (Papio anubis, Olive baboon), Gene TFDP1, Length 410 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M34.7Very low30.7Very low242 Ų242138.3 Ų138.3100%1.19280%0.801SS**  087.20-65.2178.2-169.300105.9
2A32Very low31.1Very low88 Ų88131.3 Ų131.373%0.72778%0.781SS**  77.797.1103.600000111.5
3K27.7Very low31.7Very low192 Ų192132.1 Ų132.184%0.83577%0.772SS**  80.2126110.6-72.3-177.5178-176.50110.7
4D31.4Very low32.3Very low154 Ų154127.9 Ų127.982%0.82474%0.744SS**  cis-157146.942.1-92.7-45.3000110.2
5A26.1Very low33Very low108 Ų108126.6 Ų126.689%0.89373%0.726SS**  trans-129.295.2158.100000106.7
6G26.9Very low33.8Very low69 Ų69122.1 Ų122.171%0.71170%0.701SS**  trans-91.7129.3-179.400000111.7
7L27.2Very low34.6Very low152 Ų152121.8 Ų121.880%0.79669%0.69SS**  trans-37.5128.6170.7-154.269.9000114.2E9L7-E9 HydrophobicContact CD2-CG 4.24Å
8I32.5Very low35.5Very low162 Ų162119.7 Ų119.783%0.83168%0.676SS**  trans-97.4106.8164.3-60.8175.4000106.8
9E29.5Very low36.1Very low153 Ų153118.6 Ų118.672%0.71567%0.668SS**  trans-84.5128.3163-69.3-179.1161.700108L7L7-E9 HydrophobicContact CD2-CG 4.24Å
10A34.9Very low36.6Very low74 Ų74120.4 Ų120.461%0.61267%0.671SS**  trans-132.490.5171.400000108.8
11N34.9Very low36.7Very low127 Ų127120.8 Ų120.868%0.67967%0.671SS**  trans-103.680.1173.741.9-22.5000108.7
12G35.3Very low37.2Very low54 Ų54115 Ų11556%0.55765%0.645SS**PPolyproline II helixtrans-92.4121.8163.900000109.4
13E38.9Very low37.9Very low142 Ų142115.4 Ų115.466%0.66464%0.643SS**PPolyproline II helixtrans-82120174.5-164.1179.1172.900108.6
14L39.7Very low39.1Very low73 Ų73113 Ų11338%0.38265%0.646SS.*EExtended strand (participates in β ladder)trans-95.1117.7173.9-168.380000108.3V16 L31 I262L14-V16 HydrophobicContact CD2-CG2 4.1Å; L14-V16 HydrophobicContact CG-CG2 4.45Å; L14-L31 HydrophobicContact CD2-CD2 4.23Å; L14-I262 HydrophobicContact CD2-CD1 3.32Å; L14-I262 HydrophobicContact CD2-CG1 3.77Å; L14-I262 HydrophobicContact CD2-CG2 4.4Å
15K44Very low40.4Very low109 Ų109107.1 Ų107.147%0.47462%0.622SS.*EExtended strand (participates in β ladder)trans-91.8117.7171.4-72-175.9179.6178.90108.9F17 V32K15-F17 HydrophobicContact CB-CE2 3.81Å; K15-F17 HydrophobicContact CB-CZ 4.2Å; K15-F17 HydrophobicContact CD-CZ 4.26Å; K15-V32 PolarHBondContact N-O 3.05Å; K15-V32 PolarHBondContact O-N 2.73Å
16V45.5Very low42.1Very low54 Ų54108.4 Ų108.433%0.32761%0.608SS.*EExtended strand (participates in β ladder)trans-100.4113.9175.5-173.90000107.9L14 I18 V29 L31 I262 I293L14-V16 HydrophobicContact CD2-CG2 4.1Å; L14-V16 HydrophobicContact CG-CG2 4.45Å; V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 3.91Å; V16-V29 HydrophobicContact CG1-CG1 4.07Å; V16-L31 HydrophobicContact CB-CD2 4.07Å; V16-L31 HydrophobicContact CG1-CD2 3.82Å; V16-L31 HydrophobicContact CG2-CD2 3.64Å; V16-I262 HydrophobicContact CG2-CD1 4.48Å; V16-I293 HydrophobicContact CG1-CD1 3.76Å
17F47.8Very low44.2Very low117 Ų117105.4 Ų105.451%0.51358%0.577SS.*EExtended strand (participates in β ladder)trans-100.2123.9170.1-60-85000108.4K15 S30 V32K15-F17 HydrophobicContact CB-CE2 3.81Å; K15-F17 HydrophobicContact CB-CZ 4.2Å; K15-F17 HydrophobicContact CD-CZ 4.26Å; F17-S30 PolarHBondContact N-O 3.19Å; F17-S30 PolarHBondContact O-N 2.77Å; F17-V32 HydrophobicContact CE2-CG2 4.39Å
18I50.3Low46.2Very low85 Ų85100 Ų10044%0.43655%0.55SS..EExtended strand (participates in β ladder)trans-113.1107.5179.7-56.4176.6000107.4V16 Q20 I293V16-I18 HydrophobicContact CG1-CD1 4.37Å; V16-I18 HydrophobicContact CG1-CG1 3.91Å; I18-Q20 HydrophobicContact CG2-CG 4.02Å; I18-I293 HydrophobicContact CD1-CD1 4.07Å
19D47.7Very low48.3Very low99 Ų9992.3 Ų92.353%0.52951%0.511SS..EExtended strand (participates in β ladder)trans-99.6102.3169.1-97-47.2000109.2N21 V28D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 PolarHBondContact O-N 3.14Å; D19-V28 PolarHBondContact N-O 2.76Å; D19-V28 PolarHBondContact O-N 3.25Å
20Q45.1Very low50.5Low153 Ų15386 Ų8672%0.71548%0.484SS*.  trans-92.961167.8-73.9-179.433.700109.6I18I18-Q20 HydrophobicContact CG2-CG 4.02Å
21N39.7Very low52.5Low129 Ų12983.6 Ų83.669%0.6946%0.46SS*.  trans-116.918.3-177.7-91.4-58.6000115.3D19D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 PolarHBondContact O-N 3.14Å
22L45.1Very low54.2Low120 Ų12079.7 Ų79.763%0.62844%0.441SS*.SBendtrans-134.991.6173.7-7796.9000112.6K26L22-K26 WeakPolarHBondContact O-CB 3.48Å
23S45.5Very low55.8Low98 Ų9878.7 Ų78.769%0.68543%0.428SS*.THydrogen-bonded Turntrans66.2140.3171.2-128.10000115.3G25 K26S23-G25 VanDerWaalsContact C-N 3.32Å; S23-G25 PolarHBondContact O-N 3.43Å; S23-K26 PolarHBondContact O-N 3.15Å
24P53.4Low56.5Low141 Ų14174.8 Ų74.892%0.91641%0.413SS*.THydrogen-bonded Turntrans-67.492.2177.527.3-31000109.2
25G58.1Low56.8Low31 Ų3175.7 Ų75.732%0.3242%0.416SS..THydrogen-bonded Turntrans147-22.4-177.600000114.7S23 D288 N289S23-G25 VanDerWaalsContact C-N 3.32Å; S23-G25 PolarHBondContact O-N 3.43Å; G25-D288 CarbonylContact O-C 3.55Å; G25-N289 CarbonylContact O-C 3.56Å; G25-N289 VanDerWaalsContact O-C 3.3Å; G25-N289 WeakPolarHBondContact O-CA 3.4Å; G25-N289 PolarHBondContact O-N 2.94Å
26K62.7Low57.1Low134 Ų13474.4 Ų74.458%0.58342%0.418SS*.  trans-108.7143.2173.9-51.4-176174.5-174.80110.3L22 S23 F287L22-K26 WeakPolarHBondContact O-CB 3.48Å; S23-K26 PolarHBondContact O-N 3.15Å; K26-F287 WeakPolarHBondContact CA-O 3.26Å
27G70.6Confident57.3Low6 Ų676.3 Ų76.36%0.06243%0.434CS..EExtended strand (participates in β ladder)trans-138.6146.7177.800000111.2F287G27-F287 PolarHBondContact N-O 2.88Å; G27-F287 VanDerWaalsContact N-O 3.14Å; G27-F287 PolarHBondContact O-N 3Å
28V69.9Low57.3Low38 Ų3876 Ų7623%0.2344%0.441CS..EExtended strand (participates in β ladder)trans-116.4131.6176.8-178.50000108.2D19 L284 F285D19-V28 PolarHBondContact N-O 2.76Å; D19-V28 PolarHBondContact O-N 3.25Å; V28-L284 HydrophobicContact CG1-CD1 3.48Å; V28-L284 VanDerWaalsContact CG1-CD1 3.48Å; V28-L284 HydrophobicContact CG1-CG 4.41Å; V28-F285 WeakPolarHBondContact CA-O 3.22Å
29V76.2Confident57Low1 Ų176.2 Ų76.21%0.00645%0.447CS..EExtended strand (participates in β ladder)trans-117.7121.8172.1-176.80000108.5V16 L31 F285 F287 F291V16-V29 HydrophobicContact CG1-CG1 4.07Å; V29-L31 HydrophobicContact CG1-CD2 3.76Å; V29-L31 HydrophobicContact CG1-CG 3.92Å; V29-F285 HydrophobicContact CB-CB 4.45Å; V29-F285 PolarHBondContact N-O 2.98Å; V29-F285 PolarHBondContact O-N 3.15Å; V29-F287 HydrophobicContact CB-CE2 4.1Å; V29-F287 HydrophobicContact CG2-CD2 4.27Å; V29-F287 HydrophobicContact CG2-CE2 3.69Å; V29-F291 HydrophobicContact CG2-CD1 4.46Å; V29-F291 HydrophobicContact CG2-CD2 4.07Å; V29-F291 HydrophobicContact CG2-CE1 3.69Å; V29-F291 HydrophobicContact CG2-CE2 3.23Å; V29-F291 HydrophobicContact CG2-CZ 3.02Å
30S74.8Confident56.4Low22 Ų2278.8 Ų78.815%0.15446%0.461CS..EExtended strand (participates in β ladder)trans-104.3122.6166.4-178.80000109.3F17 Y283F17-S30 PolarHBondContact N-O 3.19Å; F17-S30 PolarHBondContact O-N 2.77Å; S30-Y283 WeakPolarHBondContact CA-O 3.44Å
31L76.4Confident56Low22 Ų2277.8 Ų77.812%0.11547%0.468CS..EExtended strand (participates in β ladder)trans-110.9120.2175.2-59.4179.3000108.7L14 V16 V29 I262 Y283 F285L14-L31 HydrophobicContact CD2-CD2 4.23Å; V16-L31 HydrophobicContact CB-CD2 4.07Å; V16-L31 HydrophobicContact CG1-CD2 3.82Å; V16-L31 HydrophobicContact CG2-CD2 3.64Å; V29-L31 HydrophobicContact CG1-CD2 3.76Å; V29-L31 HydrophobicContact CG1-CG 3.92Å; L31-I262 HydrophobicContact CD1-CD1 4.42Å; L31-I262 HydrophobicContact CD2-CD1 4.3Å; L31-Y283 PolarHBondContact N-O 3.4Å; L31-Y283 PolarHBondContact O-N 3.26Å; L31-F285 HydrophobicContact CD1-CD2 4.38Å; L31-F285 HydrophobicContact CD1-CE2 3.91Å; L31-F285 HydrophobicContact CG-CE2 4.5Å
32V71.8Confident55.9Low45 Ų4579 Ų7927%0.27347%0.473SS..EExtended strand (participates in β ladder)trans-110.1116.1173.1-176.40000108.6K15 F17 F281 E282K15-V32 PolarHBondContact N-O 3.05Å; K15-V32 PolarHBondContact O-N 2.73Å; F17-V32 HydrophobicContact CE2-CG2 4.39Å; V32-F281 CarbonylContact C-O 3.57Å; V32-F281 WeakPolarHBondContact CA-O 3.36Å; V32-E282 HydrophobicContact CG2-CG 4.45Å
33A68.3Low55.2Low34 Ų3476.9 Ų76.928%0.28148%0.48SS..EExtended strand (participates in β ladder)trans-85.7133170.500000109.2F281A33-F281 HydrophobicContact CB-CD1 4.19Å; A33-F281 PolarHBondContact N-O 3.23Å; A33-F281 WeakPolarHBondContact O-CD1 3.4Å
34V54.6Low54.9Low60 Ų6080.3 Ų80.336%0.36448%0.483SS..  trans-106.5123.5175.8-173.80000108.9
35H45.7Very low53.9Low92 Ų9282.5 Ų82.543%0.42648%0.481SS..  trans-66.3136.6177-157.8-103.6000110.5S37 T38 F281H35-S37 PolarHBondContact ND1-OG 3.02Å; H35-S37 PolarHBondContact O-N 3.42Å; H35-T38 PolarHBondContact O-N 3.35Å; H35-T38 VanDerWaalsContact O-N 3.1Å; H35-T38 PolarHBondContact O-OG1 2.86Å; H35-F281 HydrophobicContact CB-CE1 3.6Å; H35-F281 HydrophobicContact CB-CZ 3.75Å; H35-F281 AromaticContact CD2-CE1 3.9Å; H35-F281 AromaticContact CD2-CZ 3.66Å; H35-F281 AromaticContact CG-CZ 3.95Å
36P50.2Low52.8Low81 Ų8187.2 Ų87.253%0.52650%0.498SS..G310 helixtrans-63.5-13.2-176.823.4-33.6000114.1T38 V39P36-T38 VanDerWaalsContact C-N 3.28Å; P36-T38 PolarHBondContact O-N 3Å; P36-V39 WeakPolarHBondContact O-CG2 3.32Å
37S48.6Very low51.8Low95 Ų9586.7 Ų86.766%0.66450%0.501SS*.G310 helixtrans-77.7-8.7176.359.40000114.3H35H35-S37 PolarHBondContact ND1-OG 3.02Å; H35-S37 PolarHBondContact O-N 3.42Å
38T49Very low50.3Low109 Ų10992.4 Ų92.467%0.66954%0.537SS*.G310 helixtrans-95.3-1.3179.3-19.30000112.7H35 P36H35-T38 PolarHBondContact O-N 3.35Å; H35-T38 VanDerWaalsContact O-N 3.1Å; H35-T38 PolarHBondContact O-OG1 2.86Å; P36-T38 VanDerWaalsContact C-N 3.28Å; P36-T38 PolarHBondContact O-N 3Å
39V44.3Very low48.7Very low91 Ų9198.8 Ų98.855%0.55256%0.562SS**SBendtrans-100.1113.5171.7-690000109.7P36P36-V39 WeakPolarHBondContact O-CG2 3.32Å
40N35Very low47Very low153 Ų153105 Ų10582%0.81860%0.599SS**  trans-44.9130179-105.4-2.1000112L42N40-L42 PolarHBondContact O-N 2.84Å
41P36.4Very low45.2Very low132 Ų132113.9 Ų113.986%0.85764%0.636SS**  trans-80.772176.434.7-33000109
42L36.9Very low43.1Very low153 Ų153116.4 Ų116.480%0.80167%0.667SS**  trans-120.694165.6-16467.5000108.7N40 K44N40-L42 PolarHBondContact O-N 2.84Å; L42-K44 PolarHBondContact O-N 3.41Å; L42-K44 VanDerWaalsContact O-N 3.14Å
43G31Very low41.2Very low76 Ų76123.2 Ų123.278%0.78470%0.696SS**  trans-50.9115.2-176.300000113
44K38.1Very low39.6Very low171 Ų171126.8 Ų126.874%0.74372%0.719SS**  trans-146.3119149.4-66-169.9-179.3173.90107.2L42 L46L42-K44 PolarHBondContact O-N 3.41Å; L42-K44 VanDerWaalsContact O-N 3.14Å; K44-L46 PolarHBondContact O-N 3.38Å
45Q33.6Very low38.4Very low186 Ų186131.3 Ų131.387%0.86974%0.741SS**  trans-36.2102.9164.2-173.41776700110.5L47Q45-L47 PolarHBondContact O-N 2.9Å
46L35.6Very low38Very low131 Ų131133 Ų13369%0.68676%0.758SS**  trans-92.191.8179.2-80.4167000109.1K44 K49K44-L46 PolarHBondContact O-N 3.38Å; L46-K49 HydrophobicContact CD2-CD 3.82Å; L46-K49 HydrophobicContact CD2-CG 4.09Å
47L40.5Very low37Very low123 Ų123136.9 Ų136.964%0.64477%0.774SS**  trans-55.8153.7140.9-79.986.5000108.9Q45 K49Q45-L47 PolarHBondContact O-N 2.9Å; L47-K49 PolarHBondContact O-N 2.91Å
48P38.8Very low36.4Very low126 Ų126139.9 Ų139.982%0.81878%0.781SS**  trans-57112.4171.4-17.329000109.6T50P48-T50 PolarHBondContact O-N 2.68Å
49K36.1Very low35.5Very low172 Ų172138.6 Ų138.675%0.74878%0.782SS**  trans-76.8110.1171.3-74.4178.7176.9170.20108L46 L47L46-K49 HydrophobicContact CD2-CD 3.82Å; L46-K49 HydrophobicContact CD2-CG 4.09Å; L47-K49 PolarHBondContact O-N 2.91Å
50T41.5Very low35Very low130 Ų130143.3 Ų143.380%0.79880%0.798SS**  trans-92117.7160.148.10000109.3P48P48-T50 PolarHBondContact O-N 2.68Å
51F36.6Very low34.7Very low209 Ų209144.7 Ų144.792%0.91780%0.799SS**  trans57.6100.6154.9-92-100.8000120.6
52G31.9Very low34.6Very low75 Ų75145.2 Ų145.277%0.77380%0.8SS**  65.599.9113.900000119.2
53Q33.6Very low34.2Very low188 Ų188144 Ų14488%0.87980%0.798SS**  trans-79.9120155.7-71.7177.3-51.500109.3
54S32.7Very low34.4Very low110 Ų110148 Ų14877%0.76980%0.8SS**  trans-96.8105.9158.552.50000108.3
55N30.5Very low34.2Very low154 Ų154143.1 Ų143.182%0.82480%0.798SS**  trans-77.1121.7164.2-80.4-38.5000108
56V36.6Very low34.5Very low129 Ų129140.8 Ų140.878%0.78280%0.797SS**  trans-123122.7160-164.60000107.3
57N28.8Very low34.7Very low161 Ų161140.5 Ų140.586%0.86180%0.803SS**  trans-78.7115.9-174.9-149.111.2000108.7
58I36.2Very low34.3Very low158 Ų158143.6 Ų143.681%0.8181%0.814SS**  trans-136.3111.9158.4-64.7-179.5000107.7
59A30.2Very low34.2Very low83 Ų83148.9 Ų148.969%0.68682%0.818SS**  trans-68.8134.6173.100000111
60Q35.1Very low34.3Very low189 Ų189145.8 Ų145.888%0.88382%0.815SS**  -174138117.2-96172.55.100111
61Q28Very low33.9Very low183 Ų183144.3 Ų144.386%0.85582%0.816SS**  trans-51.9155.6179.9-66153.3-3800111.9
62V33.3Very low34.1Very low143 Ų143139.3 Ų139.387%0.86781%0.813SS**  -158.8141.272.9-1760000111.6
63V29.2Very low34.3Very low126 Ų126140.8 Ų140.876%0.76481%0.811SS**  trans-82151.7178.9169.90000112.1
64I35.9Very low34.6Very low162 Ų162139.9 Ų139.983%0.83181%0.813SS**  trans169.1119.9142-81.4146.6000104.8
65G32.5Very low34.7Very low68 Ų68140.3 Ų140.370%0.70181%0.811SS**  cis113.59536.700000108.7
66T40.1Very low35.2Very low137 Ų137140.4 Ų140.484%0.8481%0.81SS**  trans-66.5170.2176.454.70000112.9
67P39.9Very low35.3Very low125 Ų125139.6 Ų139.681%0.81281%0.806SS**  -149.8155.797.834.6-15.7000117.6
68Q33.6Very low35.6Very low188 Ų188138.8 Ų138.888%0.87981%0.806SS**  trans-64.2154.6160.4-68.3168-74.500112.9
69R36.8Very low35.7Very low237 Ų237134.7 Ų134.789%0.89480%0.803SS**  178.8171.8127.5-128.7-164.6160.3-176.5-5.2113.5
70P36.9Very low36.1Very low107 Ų107136.3 Ų136.370%0.69581%0.809SS**  -126.4-168.7-9945.2-26.9000115.8
71A34.1Very low36.6Very low98 Ų98131.4 Ų131.481%0.8179%0.794SS**  trans-58.2157-171.800000120.3
72A39.4Very low37.1Very low104 Ų104131 Ų13186%0.8679%0.792SS**  trans-157.7133.113900000111.6
73S35.8Very low37.3Very low106 Ų106130.5 Ų130.574%0.74179%0.789SS**  trans-73.3152.3178.5-48.80000113
74N41.5Very low38.3Very low169 Ų169130.3 Ų130.390%0.90479%0.79SS**  -167.7128129.1-92.9-14.4000112.6
75T33.6Very low38.1Very low119 Ų119127.4 Ų127.473%0.7379%0.785SS**  trans-68.1152.9171.1-58.10000111.9
76L40.9Very low38.7Very low156 Ų156130.2 Ų130.282%0.81779%0.788SS**  trans161102.5137.1-82.2168.9000108.3
77V39Very low38.7Very low113 Ų113131.7 Ų131.769%0.68579%0.785SS**  87.9109.584.6169.80000113.6
78V35.2Very low38.9Very low144 Ų144135.6 Ų135.687%0.87379%0.79SS**  trans69.3126.6139.3176.90000120.2
79G39.1Very low39.3Very low72 Ų72131.3 Ų131.374%0.74279%0.787SS**  trans157.486.815700000115.1
80S37.5Very low39.1Very low116 Ų116125.5 Ų125.581%0.81178%0.782SS**  trans-67.8-171.6161.8-149.20000110.6
81P45.4Very low39.4Very low86 Ų86129.4 Ų129.456%0.55879%0.791SS**  cis-131.6179.9-21.216.110.1000112.5
82H39.9Very low39.6Very low175 Ų175131.9 Ų131.981%0.8179%0.791SS**  153.4114.5123.6-78.7-59.6000114.3
83T37.7Very low39.8Very low132 Ų132136.1 Ų136.181%0.8179%0.793SS**  trans-95.1153.4154.852.50000109.5
84P49.9Very low39.8Very low122 Ų122136.7 Ų136.779%0.79279%0.794SS**  trans-118.5127.6149.329.3-14.9000111.5
85S31.3Very low39.7Very low102 Ų102133.9 Ų133.971%0.71379%0.788SS**  trans-89.6136.1159.9-176.90000107.6
86T45.3Very low40Very low127 Ų127135.2 Ų135.278%0.77979%0.79SS**  trans-135.8108.7166.421.60000110.4
87H40.1Very low39.8Very low167 Ų167132.9 Ų132.977%0.77379%0.787SS**  trans-52.6143.5154.7-74.6-106.6000110.8
88F44.6Very low39.5Very low208 Ų208132.4 Ų132.491%0.91279%0.789SS**  trans-148.2135.6139.6-95.4-71.5000112
89A41.1Very low39.7Very low98 Ų98131.5 Ų131.581%0.8179%0.786SS**  trans-82.8158.9-173.500000113
90S33.6Very low39.5Very low114 Ų114139.6 Ų139.680%0.79779%0.794SS**  trans-57.4130.6175.3-175.80000114.1
91Q42.8Very low39.4Very low190 Ų190139.4 Ų139.489%0.88879%0.793SS**  trans-158.3130.3134.4-146.3163.48.200112.8
92N38.2Very low39Very low150 Ų150140.7 Ų140.780%0.80281%0.811SS**  trans-49.5138.3-179.5-76.7-27.8000116.3
93Q43.5Very low38.8Very low192 Ų192135.5 Ų135.590%0.89781%0.805SS**  -153.2143.7128.5-110.1-172.97.800111
94P36.8Very low38.9Very low118 Ų118139.2 Ų139.277%0.76681%0.81SS**  trans-98.7129.7-166.935.8-27.2000111.7
95S38.2Very low38.5Very low111 Ų111145.3 Ų145.378%0.77682%0.817SS**  trans173.7141.2145.131.20000110.5
96D40.7Very low38.6Very low147 Ų147147.8 Ų147.879%0.78682%0.822SS**  trans80.786.5163.9-62.2-35.1000120.6
97S36.7Very low38.4Very low107 Ų107153.3 Ų153.375%0.74883%0.829SS**  67.588.1116.8-55.10000118.7
98S32.3Very low38.3Very low102 Ų102153.8 Ų153.871%0.71383%0.829SS**  trans-65.3131.3162.5172.10000112.7W100S98-W100 PolarHBondContact OG-N 2.88Å
99P39.1Very low38Very low126 Ų126147.5 Ų147.582%0.81882%0.823SS**  trans-103.955.6169.738.2-29.1000111.5
100W34Very low38.6Very low241 Ų241150.7 Ų150.791%0.91382%0.821SS**  trans-113.471.5158.2-103.2-47.1000109.1S98S98-W100 PolarHBondContact OG-N 2.88Å
101S37.2Very low39.6Very low112 Ų112153.9 Ų153.978%0.78382%0.82SS**SBendtrans-166.2117.4162.7-84.70000110.7G103S101-G103 PolarHBondContact O-N 2.94Å
102A35.8Very low40.4Very low113 Ų113152 Ų15293%0.93482%0.816SS**  trans42.168.1145.400000117.1
103G35.8Very low42Very low67 Ų67146.2 Ų146.269%0.69179%0.792SS**  trans-110.598.9174.600000112.7S101 R105S101-G103 PolarHBondContact O-N 2.94Å; G103-R105 PolarHBondContact O-N 2.85Å
104K40.1Very low43.8Very low209 Ų209141.6 Ų141.691%0.90977%0.769SS**  trans-33.5106.6166.3-73.9175.1174.41770112.9
105R40.4Very low46.2Very low250 Ų250137.6 Ų137.694%0.94375%0.749SS**  trans-106.371.7157.6-79.1-172.2172.9164.1-0.2109.8G103 R107G103-R105 PolarHBondContact O-N 2.85Å; R105-R107 PolarHBondContact O-N 2.84Å
106N34.2Very low48.8Very low154 Ų154136.1 Ų136.182%0.82473%0.732SS**  trans-84.490.4159.5-164-4000107.6
107R41.4Very low51.3Low243 Ų243139.2 Ų139.292%0.91773%0.733SS**SBendtrans-154.4109.1156-74.8-152.9-174.5-169.63.1110.1R105R105-R107 PolarHBondContact O-N 2.84Å
108K37Very low53.9Low178 Ų178136.2 Ų136.277%0.77471%0.707SS**  trans81.684.1154-147.8162-175.2175.90117.6E110K108-E110 PolarHBondContact O-N 3.02Å
109G39.2Very low56.9Low76 Ų76131.6 Ų131.678%0.78467%0.674SS**THydrogen-bonded Turntrans-83.454.1-177.900000117.1
110E53.8Low59.6Low165 Ų165127.4 Ų127.477%0.77165%0.648SS**THydrogen-bonded Turntrans-121.5-8.4173.4-79.2166.8131.400113.9K108K108-E110 PolarHBondContact O-N 3.02Å
111K54.3Low62.5Low181 Ų181119.7 Ų119.779%0.78762%0.623SS**  trans-98.10.7-175.6-70.8-174.7175.7-175.10115.2G113 K114K111-G113 PolarHBondContact O-N 2.84Å; K111-G113 VanDerWaalsContact O-N 3.15Å; K111-K114 PolarHBondContact O-N 3.32Å
112N58.9Low65.2Low151 Ų151117 Ų11781%0.80760%0.597SS**THydrogen-bonded Turntrans-66.2-17.8-174.9-8447.2000114
113G71.9Confident68.1Low28 Ų28111.6 Ų111.629%0.28955%0.552SS.*THydrogen-bonded Turntrans-87.3-9.1-179.700000115.9K111 H118 F146K111-G113 PolarHBondContact O-N 2.84Å; K111-G113 VanDerWaalsContact O-N 3.15Å; G113-H118 PolarHBondContact O-CE1 2.96Å; G113-H118 PolarHBondContact O-ND1 3.47Å; G113-F146 WeakPolarHBondContact O-CE1 3.4Å
114K81.3Confident70.9Confident95 Ų95109.3 Ų109.341%0.41353%0.526SS..SBendtrans-109.711.2-171.3-59.5-167-179.2-167.90114.4K111 F119 D150 D161K111-K114 PolarHBondContact O-N 3.32Å; K114-F119 VanDerWaalsContact O-CE2 3.25Å; K114-F119 WeakPolarHBondContact O-CE2 3.32Å; K114-D150 IonicContact NZ-OD2 3.49Å; K114-D150 PolarHBondContact NZ-OD2 3.18Å; K114-D161 IonicContact NZ-OD2 3.02Å; K114-D161 PolarHBondContact NZ-OD2 2.59Å
115G88.6Confident73.6Confident34 Ų34102.4 Ų102.435%0.35150%0.497SS..SBendtrans-87.5162.2-17900000114.7R117 H118 F119G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 3.11Å; G115-H118 WeakPolarHBondContact O-CB 3.03Å; G115-H118 PolarHBondContact O-N 3.03Å; G115-F119 WeakPolarHBondContact O-CD2 3.39Å; G115-F119 PolarHBondContact O-N 3.18Å; G115-F119 VanDerWaalsContact O-N 3.14Å
116L92.6Very high76.2Confident79 Ų7991.2 Ų91.241%0.41446%0.455SS..Hα-helixtrans-54.8-40177.8-177.766.5000112.2H118 F119 S120 R168 D171L116-H118 VanDerWaalsContact C-N 3.26Å; L116-H118 PolarHBondContact O-N 2.84Å; L116-F119 PolarHBondContact O-N 3.29Å; L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 3.12Å; L116-S120 PolarHBondContact O-OG 3.06Å; L116-R168 HydrophobicContact CD1-CB 4.29Å; L116-D171 HydrophobicContact CD1-CB 3.75Å
117R92.5Very high79.2Confident213 Ų21383.9 Ų83.980%0.80442%0.415SS*.Hα-helixtrans-55.3-40.8175.8-175.5178.7-177.1-81.7-0.6112.5G115 M121G115-R117 VanDerWaalsContact C-N 3.26Å; G115-R117 PolarHBondContact O-N 3.11Å; R117-M121 WeakPolarHBondContact O-CB 3.34Å; R117-M121 PolarHBondContact O-N 3.24Å; R117-M121 VanDerWaalsContact O-N 3.15Å
118H92.4Very high81.7Confident44 Ų4477.1 Ų77.120%0.20439%0.394CS..Hα-helixtrans-73.2-42.9-179.8-174-115.5000111.2G113 G115 L116 M121 K122 F146G113-H118 PolarHBondContact O-CE1 2.96Å; G113-H118 PolarHBondContact O-ND1 3.47Å; G115-H118 WeakPolarHBondContact O-CB 3.03Å; G115-H118 PolarHBondContact O-N 3.03Å; L116-H118 VanDerWaalsContact C-N 3.26Å; L116-H118 PolarHBondContact O-N 2.84Å; H118-M121 WeakPolarHBondContact O-CB 3.38Å; H118-M121 PolarHBondContact O-N 2.91Å; H118-K122 WeakPolarHBondContact O-CG 3.29Å; H118-K122 PolarHBondContact O-N 3.19Å; H118-F146 AromaticContact CE1-CE1 3.68Å; H118-F146 AromaticContact CE1-CZ 3.25Å; H118-F146 WeakPolarHBondContact CE1-CZ 3.29Å; H118-F146 AromaticContact ND1-CE1 3.66Å; H118-F146 AromaticContact ND1-CZ 3.27Å; H118-F146 VanDerWaalsContact ND1-CZ 3.27Å; H118-F146 WeakPolarHBondContact ND1-CZ 3.28Å
119F94.9Very high84.5Confident4 Ų476.5 Ų76.52%0.01839%0.387CS..Hα-helixtrans-63.7-42.9174.4-66.8-55.1000112.6K114 G115 L116 M121 K122 V123 F146 I165 R168K114-F119 VanDerWaalsContact O-CE2 3.25Å; K114-F119 WeakPolarHBondContact O-CE2 3.32Å; G115-F119 WeakPolarHBondContact O-CD2 3.39Å; G115-F119 PolarHBondContact O-N 3.18Å; G115-F119 VanDerWaalsContact O-N 3.14Å; L116-F119 PolarHBondContact O-N 3.29Å; F119-M121 VanDerWaalsContact C-N 3.3Å; F119-M121 PolarHBondContact O-N 2.97Å; F119-K122 PolarHBondContact O-N 3.35Å; F119-V123 WeakPolarHBondContact O-CB 3.47Å; F119-V123 VanDerWaalsContact O-CG2 3.22Å; F119-V123 WeakPolarHBondContact O-CG2 3.44Å; F119-V123 PolarHBondContact O-N 2.5Å; F119-F146 HydrophobicContact CD1-CE2 4.38Å; F119-F146 HydrophobicContact CD1-CZ 4.08Å; F119-F146 HydrophobicContact CE1-CD1 4.46Å; F119-F146 AromaticContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE2 4Å; F119-F146 AromaticContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CZ-CE1 4.46Å; F119-I165 HydrophobicContact CE1-CB 4.43Å; F119-I165 HydrophobicContact CE1-CD1 4.35Å; F119-I165 HydrophobicContact CE1-CG1 3.63Å; F119-I165 HydrophobicContact CE1-CG2 4.34Å; F119-I165 HydrophobicContact CZ-CG1 3.66Å; F119-R168 HydrophobicContact CB-CB 4.04Å; F119-R168 HydrophobicContact CD2-CB 3.6Å; F119-R168 HydrophobicContact CD2-CG 3.64Å; F119-R168 HydrophobicContact CE2-CB 4.28Å; F119-R168 HydrophobicContact CE2-CG 3.96Å; F119-R168 HydrophobicContact CG-CB 3.96Å; F119-R168 HydrophobicContact CG-CG 4.48Å
120S95.5Very high87.2Confident39 Ų3976.2 Ų76.227%0.27336%0.364SS..Hα-helixtrans-59.4-41.8175.8-63.20000112L116 C124L116-S120 WeakPolarHBondContact O-CB 3.39Å; L116-S120 PolarHBondContact O-N 3.12Å; L116-S120 PolarHBondContact O-OG 3.06Å; S120-C124 VanDerWaalsContact O-CB 3.29Å; S120-C124 WeakPolarHBondContact O-CB 3.49Å; S120-C124 PolarHBondContact O-N 3.32Å
121M93.7Very high89.1Confident79 Ų7969.7 Ų69.739%0.38934%0.342SS..Hα-helixtrans-61.9-48.8174.8-175.2176.875.900111.3R117 H118 F119 V123 C124 E125R117-M121 WeakPolarHBondContact O-CB 3.34Å; R117-M121 PolarHBondContact O-N 3.24Å; R117-M121 VanDerWaalsContact O-N 3.15Å; H118-M121 WeakPolarHBondContact O-CB 3.38Å; H118-M121 PolarHBondContact O-N 2.91Å; F119-M121 VanDerWaalsContact C-N 3.3Å; F119-M121 PolarHBondContact O-N 2.97Å; M121-V123 PolarHBondContact O-N 3.08Å; M121-C124 WeakPolarHBondContact O-CB 3.24Å; M121-C124 PolarHBondContact O-N 3.31Å; M121-E125 WeakPolarHBondContact O-CG 3.45Å; M121-E125 PolarHBondContact O-N 3.23Å
122K95.5Very high91.1Very high54 Ų5464.5 Ų64.524%0.23533%0.325CS..Hα-helixtrans-64.8-39.4179.1-73.6-71.4169.7-157.30113.7H118 F119 E125 K126 L142H118-K122 WeakPolarHBondContact O-CG 3.29Å; H118-K122 PolarHBondContact O-N 3.19Å; F119-K122 PolarHBondContact O-N 3.35Å; K122-E125 IonicContact NZ-OE2 3.04Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.08Å; K122-K126 WeakPolarHBondContact O-CB 3.4Å; K122-K126 PolarHBondContact O-N 2.97Å; K122-L142 HydrophobicContact CB-CD1 4.47Å; K122-L142 HydrophobicContact CB-CD2 3.67Å; K122-L142 HydrophobicContact CG-CD2 4.44Å
123V96.9Very high92.9Very high0 Ų057.6 Ų57.60%029%0.288CS..Hα-helixtrans-62.1-46.4173.6169.70000110.2F119 M121 K126 V127 V138 L142 V169 A172 L173 L176F119-V123 WeakPolarHBondContact O-CB 3.47Å; F119-V123 VanDerWaalsContact O-CG2 3.22Å; F119-V123 WeakPolarHBondContact O-CG2 3.44Å; F119-V123 PolarHBondContact O-N 2.5Å; M121-V123 PolarHBondContact O-N 3.08Å; V123-K126 PolarHBondContact O-N 2.85Å; V123-V127 HydrophobicContact CG1-CG2 4.38Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 2.85Å; V123-V138 HydrophobicContact CG1-CG1 4.34Å; V123-V138 HydrophobicContact CG2-CG1 4.15Å; V123-L142 HydrophobicContact CG2-CD1 3.64Å; V123-V169 HydrophobicContact CG2-CB 4.33Å; V123-V169 HydrophobicContact CG2-CG1 4.19Å; V123-V169 HydrophobicContact CG2-CG2 3.92Å; V123-A172 HydrophobicContact CB-CB 4.06Å; V123-A172 HydrophobicContact CG1-CB 4.1Å; V123-A172 HydrophobicContact CG2-CB 4.07Å; V123-L173 HydrophobicContact CG1-CD2 3.64Å; V123-L173 HydrophobicContact CG1-CG 4.05Å; V123-L176 HydrophobicContact CG1-CD1 3.93Å
124C94.7Very high94.1Very high20 Ų2058 Ų5814%0.13529%0.286CS..Hα-helixtrans-58.8-51.5177.5-169.50000111.5S120 M121 K126 V127 Q128 L176S120-C124 VanDerWaalsContact O-CB 3.29Å; S120-C124 WeakPolarHBondContact O-CB 3.49Å; S120-C124 PolarHBondContact O-N 3.32Å; M121-C124 WeakPolarHBondContact O-CB 3.24Å; M121-C124 PolarHBondContact O-N 3.31Å; C124-K126 VanDerWaalsContact C-N 3.29Å; C124-K126 PolarHBondContact O-N 2.97Å; C124-V127 PolarHBondContact O-N 3.2Å; C124-Q128 VanDerWaalsContact O-CB 3.28Å; C124-Q128 WeakPolarHBondContact O-CB 3.46Å; C124-Q128 PolarHBondContact O-N 3.1Å; C124-L176 HydrophobicContact CB-CD1 4.32Å
125E95.1Very high94.9Very high64 Ų6454.7 Ų54.730%0.29927%0.272SS..Hα-helixtrans-56.2-41.9176.6-73.7172.2-172.700112.3M121 K122 R129M121-E125 WeakPolarHBondContact O-CG 3.45Å; M121-E125 PolarHBondContact O-N 3.23Å; K122-E125 IonicContact NZ-OE2 3.04Å; K122-E125 PolarHBondContact NZ-OE2 2.89Å; K122-E125 VanDerWaalsContact NZ-OE2 3.08Å; E125-R129 VanDerWaalsContact O-CB 3.28Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 2.95Å
126K96Very high95.3Very high14 Ų1457.2 Ų57.26%0.06128%0.277CS..Hα-helixtrans-70.6-46.3-176.7-167.773.286.6168.10111.8K122 V123 C124 Q128 R129 K130 V138 E141 E145K122-K126 WeakPolarHBondContact O-CB 3.4Å; K122-K126 PolarHBondContact O-N 2.97Å; V123-K126 PolarHBondContact O-N 2.85Å; C124-K126 VanDerWaalsContact C-N 3.29Å; C124-K126 PolarHBondContact O-N 2.97Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; K126-R129 PolarHBondContact O-N 3.19Å; K126-K130 HydrophobicContact CG-CD 4.42Å; K126-K130 PolarHBondContact O-N 3.1Å; K126-K130 VanDerWaalsContact O-N 3.07Å; K126-V138 HydrophobicContact CG-CG2 4.35Å; K126-E141 WeakPolarHBondContact CD-OE2 3.46Å; K126-E141 WeakPolarHBondContact CE-OE2 3.42Å; K126-E141 IonicContact NZ-OE2 3.05Å; K126-E141 PolarHBondContact NZ-OE2 3.22Å; K126-E145 WeakPolarHBondContact CE-OE1 3.46Å; K126-E145 IonicContact NZ-OE1 2.89Å; K126-E145 PolarHBondContact NZ-OE1 3.2Å
127V96.5Very high95.5Very high0 Ų056.8 Ų56.80%027%0.273CS..Hα-helixtrans-64.5-41.1177.3-178.30000110.3V123 C124 K130 G131 T133 V138 L173 I182 I189 W191V123-V127 HydrophobicContact CG1-CG2 4.38Å; V123-V127 WeakPolarHBondContact O-CG2 3.35Å; V123-V127 PolarHBondContact O-N 2.85Å; C124-V127 PolarHBondContact O-N 3.2Å; V127-K130 PolarHBondContact O-N 2.83Å; V127-G131 PolarHBondContact O-N 3.26Å; V127-T133 HydrophobicContact CB-CG2 4.37Å; V127-T133 HydrophobicContact CG1-CG2 4.2Å; V127-T133 HydrophobicContact CG2-CG2 3.97Å; V127-V138 HydrophobicContact CG2-CG2 4.1Å; V127-L173 HydrophobicContact CG2-CD2 4.25Å; V127-I182 HydrophobicContact CB-CG2 4.39Å; V127-I182 HydrophobicContact CG1-CG2 3.71Å; V127-I189 HydrophobicContact CG1-CG2 3.95Å; V127-I189 HydrophobicContact CG2-CG2 4.37Å; V127-W191 HydrophobicContact CB-CE3 4.29Å; V127-W191 HydrophobicContact CG1-CB 4.25Å; V127-W191 HydrophobicContact CG1-CE3 4.1Å
128Q94.2Very high95.7Very high101 Ų10146.6 Ų46.647%0.47224%0.235SC..Hα-helixtrans-59.5-47.6174.7-176.8174.421.600112.5C124 K126 K130 G131 W191C124-Q128 VanDerWaalsContact O-CB 3.28Å; C124-Q128 WeakPolarHBondContact O-CB 3.46Å; C124-Q128 PolarHBondContact O-N 3.1Å; K126-Q128 VanDerWaalsContact C-N 3.33Å; Q128-K130 PolarHBondContact O-N 2.71Å; Q128-G131 PolarHBondContact O-N 2.94Å; Q128-W191 VanDerWaalsContact CA-CD2 3.47Å; Q128-W191 HydrophobicContact CB-CD2 3.74Å; Q128-W191 HydrophobicContact CB-CE3 3.74Å; Q128-W191 HydrophobicContact CB-CG 4.46Å; Q128-W191 HydrophobicContact CB-CH2 3.77Å; Q128-W191 HydrophobicContact CB-CZ2 3.76Å; Q128-W191 HydrophobicContact CB-CZ3 3.75Å; Q128-W191 HydrophobicContact CG-CD2 4.05Å; Q128-W191 HydrophobicContact CG-CE3 4.49Å; Q128-W191 HydrophobicContact CG-CH2 4.09Å; Q128-W191 HydrophobicContact CG-CZ2 3.59Å
129R95.8Very high95.8Very high166 Ų16644.5 Ų44.563%0.62623%0.225SC*.Hα-helixtrans-65.6-38.5-177.7-171.6-175.6-59121.85.4112.6E125 K126E125-R129 VanDerWaalsContact O-CB 3.28Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 2.95Å; K126-R129 PolarHBondContact O-N 3.19Å
130K95.9Very high95.9Very high69 Ų6947.6 Ų47.630%0.324%0.242SC..Hα-helixtrans-80-26.2-178.6-72.7-178.4176.3-81.50113.1K126 V127 Q128 T132 T133 E137 E141K126-K130 HydrophobicContact CG-CD 4.42Å; K126-K130 PolarHBondContact O-N 3.1Å; K126-K130 VanDerWaalsContact O-N 3.07Å; V127-K130 PolarHBondContact O-N 2.83Å; Q128-K130 PolarHBondContact O-N 2.71Å; K130-T132 PolarHBondContact O-N 3.34Å; K130-T133 WeakPolarHBondContact CD-OG1 3.33Å; K130-E137 HydrophobicContact CD-CG 4.44Å; K130-E137 WeakPolarHBondContact CE-OE1 3.4Å; K130-E137 IonicContact NZ-OE1 3.26Å; K130-E137 PolarHBondContact NZ-OE1 3.02Å; K130-E141 VanDerWaalsContact CE-CD 3.49Å; K130-E141 WeakPolarHBondContact CE-OE1 3.26Å; K130-E141 WeakPolarHBondContact CE-OE2 3.48Å; K130-E141 IonicContact NZ-OE1 3.46Å; K130-E141 PolarHBondContact NZ-OE1 2.93Å; K130-E141 IonicContact NZ-OE2 2.77Å
131G93.4Very high95.9Very high29 Ų2948.5 Ų48.530%0.29924%0.242SC..SBendtrans73.4-54.6-173.200000112.3V127 Q128 K190 W191V127-G131 PolarHBondContact O-N 3.26Å; Q128-G131 PolarHBondContact O-N 2.94Å; G131-K190 CarbonylContact O-C 3.53Å; G131-K190 WeakPolarHBondContact O-CA 3.47Å; G131-W191 WeakPolarHBondContact O-CB 3.34Å; G131-W191 PolarHBondContact O-N 2.77Å
132T96.7Very high95.9Very high71 Ų7144.8 Ų44.844%0.43622%0.223SC..EExtended strand (participates in β ladder)trans-129.2132.1173.2-55.40000109.5K130 E188 I189 K190K130-T132 PolarHBondContact O-N 3.34Å; T132-E188 HydrophobicContact CG2-CG 3.52Å; T132-I189 CarbonylContact C-O 3.58Å; T132-I189 WeakPolarHBondContact CA-O 3.39Å; T132-K190 HydrophobicContact CG2-CG 4.1Å
133T97.3Very high95.8Very high7 Ų742.9 Ų42.94%0.04322%0.216CC..EExtended strand (participates in β ladder)trans-154-173.2-175.7-171.70000111.6V127 K130 E137 V138 I189V127-T133 HydrophobicContact CB-CG2 4.37Å; V127-T133 HydrophobicContact CG1-CG2 4.2Å; V127-T133 HydrophobicContact CG2-CG2 3.97Å; K130-T133 WeakPolarHBondContact CD-OG1 3.33Å; T133-E137 WeakPolarHBondContact CA-OE2 3.26Å; T133-E137 WeakPolarHBondContact CB-OE2 3.46Å; T133-E137 VanDerWaalsContact OG1-CD 3.25Å; T133-E137 PolarHBondContact OG1-OE2 3.2Å; T133-V138 HydrophobicContact CG2-CG2 3.61Å; T133-I189 HydrophobicContact CG2-CB 4.16Å; T133-I189 HydrophobicContact CG2-CG2 4.43Å; T133-I189 PolarHBondContact N-O 3.22Å; T133-I189 PolarHBondContact O-N 3.21Å
134S97.5Very high95.5Very high35 Ų3545.7 Ų45.725%0.24524%0.24CC..EExtended strand (participates in β ladder)trans-132.7162.7174.172.90000112.1N136 E137 V138 K187S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.29Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.31Å; S134-E137 WeakPolarHBondContact OG-CB 3.44Å; S134-E137 PolarHBondContact OG-N 3.37Å; S134-V138 WeakPolarHBondContact O-CG2 3.47Å; S134-V138 PolarHBondContact O-N 3.06Å; S134-K187 WeakPolarHBondContact CA-O 3.22Å; S134-K187 WeakPolarHBondContact CB-O 3.22Å
135Y97.3Very high95.3Very high27 Ų2748.5 Ų48.511%0.10625%0.251CS..Hα-helixtrans-55.4-45.5177.8161.6-98.9000112.6A139 R166 V169 Y170 L173Y135-A139 HydrophobicContact CE2-CB 4.18Å; Y135-A139 VanDerWaalsContact O-CB 3.28Å; Y135-A139 WeakPolarHBondContact O-CB 3.37Å; Y135-A139 PolarHBondContact O-N 2.87Å; Y135-R166 WeakPolarHBondContact OH-CB 3.34Å; Y135-V169 HydrophobicContact CD2-CG1 3.85Å; Y135-V169 HydrophobicContact CE2-CB 4.15Å; Y135-V169 HydrophobicContact CE2-CG1 3.78Å; Y135-Y170 AromaticContact CD1-CE1 3.91Å; Y135-Y170 HydrophobicContact CD1-CE1 3.91Å; Y135-Y170 AromaticContact CD2-CD1 3.68Å; Y135-Y170 HydrophobicContact CD2-CD1 3.68Å; Y135-Y170 AromaticContact CD2-CE1 3.4Å; Y135-Y170 HydrophobicContact CD2-CE1 3.4Å; Y135-Y170 AromaticContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE2 4.34Å; Y135-Y170 AromaticContact CE1-CZ 3.44Å; Y135-Y170 VanDerWaalsContact CE1-CZ 3.44Å; Y135-Y170 WeakPolarHBondContact CE1-OH 3.19Å; Y135-Y170 AromaticContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD1 3.42Å; Y135-Y170 VanDerWaalsContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD2 4.14Å; Y135-Y170 AromaticContact CE2-CE1 3.12Å; Y135-Y170 HydrophobicContact CE2-CE1 3.12Å; Y135-Y170 AromaticContact CE2-CE2 3.9Å; Y135-Y170 HydrophobicContact CE2-CE2 3.9Å; Y135-Y170 AromaticContact CE2-CG 3.93Å; Y135-Y170 HydrophobicContact CE2-CG 3.93Å; Y135-Y170 AromaticContact CE2-CZ 3.4Å; Y135-Y170 HydrophobicContact CG-CD1 4.45Å; Y135-Y170 AromaticContact CG-CE1 3.79Å; Y135-Y170 HydrophobicContact CG-CE1 3.79Å; Y135-Y170 AromaticContact CZ-CE1 3.28Å; Y135-Y170 AromaticContact CZ-CE2 3.57Å; Y135-Y170 AromaticContact CZ-CZ 3.02Å; Y135-Y170 WeakPolarHBondContact OH-CE2 3.4Å; Y135-Y170 PolarHBondContact OH-OH 3.31Å; Y135-Y170 VanDerWaalsContact OH-OH 3.11Å; Y135-L173 HydrophobicContact CD2-CD1 3.96Å
136N96.4Very high95Very high87 Ų8747.2 Ų47.247%0.46524%0.244SC..Hα-helixtrans-65.9-44.4-176.8-69-42.8000110.7S134 V138 A139 D140S134-N136 VanDerWaalsContact C-N 3.32Å; S134-N136 PolarHBondContact O-N 3.29Å; N136-V138 PolarHBondContact O-N 3.27Å; N136-A139 PolarHBondContact O-N 3.48Å; N136-D140 WeakPolarHBondContact O-CB 3.49Å; N136-D140 PolarHBondContact O-N 3.01Å; N136-D140 VanDerWaalsContact O-OD2 3.12Å
137E96.5Very high94.5Very high69 Ų6948.8 Ų48.832%0.32226%0.257SS..Hα-helixtrans-58.9-48.7178-174.2-177.7-168.200111.9K130 T133 S134 A139 E141K130-E137 HydrophobicContact CD-CG 4.44Å; K130-E137 WeakPolarHBondContact CE-OE1 3.4Å; K130-E137 IonicContact NZ-OE1 3.26Å; K130-E137 PolarHBondContact NZ-OE1 3.02Å; T133-E137 WeakPolarHBondContact CA-OE2 3.26Å; T133-E137 WeakPolarHBondContact CB-OE2 3.46Å; T133-E137 VanDerWaalsContact OG1-CD 3.25Å; T133-E137 PolarHBondContact OG1-OE2 3.2Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.31Å; S134-E137 WeakPolarHBondContact OG-CB 3.44Å; S134-E137 PolarHBondContact OG-N 3.37Å; E137-A139 PolarHBondContact O-N 2.8Å; E137-E141 WeakPolarHBondContact O-CB 3.35Å; E137-E141 WeakPolarHBondContact O-CG 3.2Å; E137-E141 PolarHBondContact O-N 3.4Å; E137-E141 VanDerWaalsContact O-N 3.11Å
138V97.1Very high93.8Very high0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-62.5-44.1176.5175.60000111.1V123 K126 V127 T133 S134 N136 L142 V169V123-V138 HydrophobicContact CG1-CG1 4.34Å; V123-V138 HydrophobicContact CG2-CG1 4.15Å; K126-V138 HydrophobicContact CG-CG2 4.35Å; V127-V138 HydrophobicContact CG2-CG2 4.1Å; T133-V138 HydrophobicContact CG2-CG2 3.61Å; S134-V138 WeakPolarHBondContact O-CG2 3.47Å; S134-V138 PolarHBondContact O-N 3.06Å; N136-V138 PolarHBondContact O-N 3.27Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 VanDerWaalsContact O-CG 3.23Å; V138-L142 WeakPolarHBondContact O-CG 3.45Å; V138-L142 PolarHBondContact O-N 2.84Å; V138-V169 HydrophobicContact CG1-CG1 4.17Å
139A96Very high92.9Very high0 Ų051 Ų510%029%0.293CS..Hα-helixtrans-66.7-45-17800000112.6Y135 N136 E137 L142 V143 R166 V169Y135-A139 HydrophobicContact CE2-CB 4.18Å; Y135-A139 VanDerWaalsContact O-CB 3.28Å; Y135-A139 WeakPolarHBondContact O-CB 3.37Å; Y135-A139 PolarHBondContact O-N 2.87Å; N136-A139 PolarHBondContact O-N 3.48Å; E137-A139 PolarHBondContact O-N 2.8Å; A139-L142 PolarHBondContact O-N 2.98Å; A139-V143 VanDerWaalsContact O-CG2 3.23Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 2.93Å; A139-R166 HydrophobicContact CB-CG 4.08Å; A139-V169 HydrophobicContact CB-CG1 4.48Å; A139-V169 HydrophobicContact CB-CG2 4.44Å
140D95.2Very high91.6Very high69 Ų6946.2 Ų46.237%0.36928%0.279SS..Hα-helixtrans-69.2-38.8-177.1-71.7-37.7000111.9N136 L142 V143 A144 R166N136-D140 WeakPolarHBondContact O-CB 3.49Å; N136-D140 PolarHBondContact O-N 3.01Å; N136-D140 VanDerWaalsContact O-OD2 3.12Å; D140-L142 PolarHBondContact O-N 3.47Å; D140-V143 PolarHBondContact O-N 2.88Å; D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.5Å; D140-R166 IonicContact OD1-CZ 3.08Å; D140-R166 IonicContact OD1-NH2 2.67Å; D140-R166 PolarHBondContact OD1-NH2 3.34Å; D140-R166 IonicContact OD2-NH2 2.6Å; D140-R166 PolarHBondContact OD2-NH2 3.49Å
141E95.2Very high90Very high58 Ų5850.3 Ų50.327%0.27131%0.305SS..Hα-helixtrans-64.5-39.4174-73.1-175.2-152.800112.3K126 K130 E137 A144 E145K126-E141 WeakPolarHBondContact CD-OE2 3.46Å; K126-E141 WeakPolarHBondContact CE-OE2 3.42Å; K126-E141 IonicContact NZ-OE2 3.05Å; K126-E141 PolarHBondContact NZ-OE2 3.22Å; K130-E141 VanDerWaalsContact CE-CD 3.49Å; K130-E141 WeakPolarHBondContact CE-OE1 3.26Å; K130-E141 WeakPolarHBondContact CE-OE2 3.48Å; K130-E141 IonicContact NZ-OE1 3.46Å; K130-E141 PolarHBondContact NZ-OE1 2.93Å; K130-E141 IonicContact NZ-OE2 2.77Å; E137-E141 WeakPolarHBondContact O-CB 3.35Å; E137-E141 WeakPolarHBondContact O-CG 3.2Å; E137-E141 PolarHBondContact O-N 3.4Å; E137-E141 VanDerWaalsContact O-N 3.11Å; E141-A144 PolarHBondContact O-N 2.91Å; E141-E145 WeakPolarHBondContact O-CB 3.37Å; E141-E145 WeakPolarHBondContact O-CG 3.17Å; E141-E145 PolarHBondContact O-N 3.38Å
142L94.4Very high88.2Confident0 Ų057.2 Ų57.20%033%0.329CS..Hα-helixtrans-68.8-37.7175.7-67.8178.6000112.2K122 V123 V138 A139 D140 A144 F146 I165 V169K122-L142 HydrophobicContact CB-CD1 4.47Å; K122-L142 HydrophobicContact CB-CD2 3.67Å; K122-L142 HydrophobicContact CG-CD2 4.44Å; V123-L142 HydrophobicContact CG2-CD1 3.64Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 VanDerWaalsContact O-CG 3.23Å; V138-L142 WeakPolarHBondContact O-CG 3.45Å; V138-L142 PolarHBondContact O-N 2.84Å; A139-L142 PolarHBondContact O-N 2.98Å; D140-L142 PolarHBondContact O-N 3.47Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.42Å; L142-F146 WeakPolarHBondContact O-CD2 3.33Å; L142-F146 PolarHBondContact O-N 3.05Å; L142-F146 VanDerWaalsContact O-N 3.17Å; L142-I165 HydrophobicContact CB-CG2 4Å; L142-V169 HydrophobicContact CD1-CG2 3.83Å
143V93.3Very high86.4Confident14 Ų1455.9 Ų55.99%0.08532%0.318CS..Hα-helixtrans-63.3-42.9174.5172.20000110.4A139 D140 S147 Q162 I165A139-V143 VanDerWaalsContact O-CG2 3.23Å; A139-V143 WeakPolarHBondContact O-CG2 3.47Å; A139-V143 PolarHBondContact O-N 2.93Å; D140-V143 PolarHBondContact O-N 2.88Å; V143-S147 VanDerWaalsContact O-CB 3.27Å; V143-S147 WeakPolarHBondContact O-CB 3.41Å; V143-S147 PolarHBondContact O-N 3.43Å; V143-S147 PolarHBondContact O-OG 3.48Å; V143-Q162 HydrophobicContact CG1-CB 4.02Å; V143-Q162 HydrophobicContact CG1-CG 3.87Å; V143-Q162 HydrophobicContact CG2-CB 4.38Å; V143-Q162 HydrophobicContact CG2-CG 3.94Å; V143-I165 HydrophobicContact CG2-CB 4.01Å; V143-I165 HydrophobicContact CG2-CD1 4.09Å; V143-I165 HydrophobicContact CG2-CG2 3.86Å
144A91.5Very high84.7Confident60 Ų6061.4 Ų61.450%0.49635%0.347SS..Hα-helixtrans-64.1-46178.100000112.4D140 E141 L142 F146 S147 A148D140-A144 WeakPolarHBondContact O-CB 3.49Å; D140-A144 PolarHBondContact O-N 3.5Å; E141-A144 PolarHBondContact O-N 2.91Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.42Å; A144-F146 PolarHBondContact O-N 3.32Å; A144-S147 PolarHBondContact O-N 2.92Å; A144-A148 WeakPolarHBondContact O-CB 3.23Å; A144-A148 PolarHBondContact O-N 3.35Å
145E90.8Very high83.1Confident79 Ų7965.2 Ų65.237%0.36937%0.371SS..Hα-helixtrans-59.8-42.7179-78.6177-159.800112.6K126 E141 A149K126-E145 WeakPolarHBondContact CE-OE1 3.46Å; K126-E145 IonicContact NZ-OE1 2.89Å; K126-E145 PolarHBondContact NZ-OE1 3.2Å; E141-E145 WeakPolarHBondContact O-CB 3.37Å; E141-E145 WeakPolarHBondContact O-CG 3.17Å; E141-E145 PolarHBondContact O-N 3.38Å; E145-A149 PolarHBondContact O-N 3.37Å
146F87.3Confident81.6Confident36 Ų3670.8 Ų70.816%0.15840%0.403CS..Hα-helixtrans-78.3-30.9-179.3-80.2-104.3000113G113 H118 F119 L142 A144 A148 D150 I165G113-F146 WeakPolarHBondContact O-CE1 3.4Å; H118-F146 AromaticContact CE1-CE1 3.68Å; H118-F146 AromaticContact CE1-CZ 3.25Å; H118-F146 WeakPolarHBondContact CE1-CZ 3.29Å; H118-F146 AromaticContact ND1-CE1 3.66Å; H118-F146 AromaticContact ND1-CZ 3.27Å; H118-F146 VanDerWaalsContact ND1-CZ 3.27Å; H118-F146 WeakPolarHBondContact ND1-CZ 3.28Å; F119-F146 HydrophobicContact CD1-CE2 4.38Å; F119-F146 HydrophobicContact CD1-CZ 4.08Å; F119-F146 HydrophobicContact CE1-CD1 4.46Å; F119-F146 AromaticContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE1 3.94Å; F119-F146 HydrophobicContact CE1-CE2 4Å; F119-F146 AromaticContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CE1-CZ 3.62Å; F119-F146 HydrophobicContact CZ-CE1 4.46Å; L142-F146 WeakPolarHBondContact O-CD2 3.33Å; L142-F146 PolarHBondContact O-N 3.05Å; L142-F146 VanDerWaalsContact O-N 3.17Å; A144-F146 PolarHBondContact O-N 3.32Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-D150 PolarHBondContact O-N 3.27Å; F146-I165 HydrophobicContact CB-CD1 4.09Å; F146-I165 HydrophobicContact CG-CD1 4.39Å
147S86Confident80.4Confident47 Ų4772.1 Ų72.133%0.32941%0.406SS..Hα-helixtrans-70.5-32.4175.2-55.10000111.5V143 A144V143-S147 VanDerWaalsContact O-CB 3.27Å; V143-S147 WeakPolarHBondContact O-CB 3.41Å; V143-S147 PolarHBondContact O-N 3.43Å; V143-S147 PolarHBondContact O-OG 3.48Å; A144-S147 PolarHBondContact O-N 2.92Å
148A81.1Confident79.4Confident67 Ų6770.9 Ų70.955%0.55441%0.405SS*.Hα-helixtrans-76.8-28.617600000113.4A144 F146A144-A148 WeakPolarHBondContact O-CB 3.23Å; A144-A148 PolarHBondContact O-N 3.35Å; F146-A148 VanDerWaalsContact C-N 3.33Å
149A76.6Confident78.6Confident82 Ų8273 Ų7368%0.67842%0.422SS*.Hα-helixtrans-75.6-25.6179.900000113.2E145E145-A149 PolarHBondContact O-N 3.37Å
150D68.6Low77.9Confident64 Ų6480.3 Ų80.334%0.34245%0.451SS..  trans-105.773.9-173.6-145.2-6000108.2K114 F146 H152 I153K114-D150 IonicContact NZ-OD2 3.49Å; K114-D150 PolarHBondContact NZ-OD2 3.18Å; F146-D150 PolarHBondContact O-N 3.27Å; D150-H152 PolarHBondContact O-N 3.06Å; D150-I153 HydrophobicContact CB-CD1 3.61Å; D150-I153 HydrophobicContact CB-CG1 3.89Å; D150-I153 WeakPolarHBondContact O-CG1 3.39Å; D150-I153 PolarHBondContact O-N 3.41Å
151N61.3Low77.5Confident155 Ų15578.6 Ų78.683%0.82944%0.442SS*.THydrogen-bonded Turntrans-61.19.5-173.5-81.9-40000115.6
152H55.4Low77.3Confident175 Ų17579.5 Ų79.581%0.8145%0.446SS*.THydrogen-bonded Turntrans-131.421.5-174.6-141.6-62.5000114.6D150 L154D150-H152 PolarHBondContact O-N 3.06Å; H152-L154 PolarHBondContact O-N 3.43Å
153I60Low77.3Confident42 Ų4287.2 Ų87.222%0.21548%0.48CS..  trans-73.2124-176.5-68.7165.9000112.4D150 E157D150-I153 HydrophobicContact CB-CD1 3.61Å; D150-I153 HydrophobicContact CB-CG1 3.89Å; D150-I153 WeakPolarHBondContact O-CG1 3.39Å; D150-I153 PolarHBondContact O-N 3.41Å; I153-E157 HydrophobicContact CG2-CB 3.98Å
154L60.7Low77.2Confident124 Ų12488.9 Ų88.965%0.64949%0.488SS*.  trans-64.6141.7162.4-73.3164.5000109.7H152 N156 E157H152-L154 PolarHBondContact O-N 3.43Å; L154-N156 PolarHBondContact O-N 3.28Å; L154-E157 PolarHBondContact O-N 2.97Å
155P64.2Low77.3Confident114 Ų11486.2 Ų86.274%0.7447%0.465SS*.Hα-helixtrans-52.2-22.3-174.7-27.133.2000115.8S158P155-S158 PolarHBondContact O-OG 3.35Å
156N65.8Low77.5Confident145 Ų14585.4 Ų85.478%0.77546%0.459SS*.Hα-helixtrans-84-26.1-177.5-143.721000113.3L154L154-N156 PolarHBondContact O-N 3.28Å
157E71Confident77.9Confident115 Ų11589.6 Ų89.654%0.53747%0.474SS..Hα-helixtrans-79.3-33.5179.4-76.8-169.9151.900112.2I153 L154 A159 Y160 D161I153-E157 HydrophobicContact CG2-CB 3.98Å; L154-E157 PolarHBondContact O-N 2.97Å; E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 3.21Å; E157-Y160 PolarHBondContact O-N 3.02Å; E157-Y160 VanDerWaalsContact O-N 3.11Å; E157-D161 PolarHBondContact O-N 3.35Å
158S75Confident78.4Confident42 Ų4290.8 Ų90.829%0.29447%0.471SS..Hα-helixtrans-60.3-38.8177.655.60000112.6P155 D161 Q162P155-S158 PolarHBondContact O-OG 3.35Å; S158-D161 PolarHBondContact O-N 2.99Å; S158-Q162 WeakPolarHBondContact O-CB 3.49Å; S158-Q162 PolarHBondContact O-N 3.27Å
159A81.1Confident79.1Confident44 Ų4487.6 Ų87.636%0.36445%0.445SS..Hα-helixtrans-67.2-34.9176.500000112.7E157 K163E157-A159 VanDerWaalsContact C-N 3.3Å; E157-A159 PolarHBondContact O-N 3.21Å; A159-K163 PolarHBondContact O-N 2.75Å
160Y81.9Confident80.1Confident154 Ų15488.8 Ų88.860%0.60443%0.432SS*.Hα-helixtrans-70.6-46.6175.1-178-91.8000111.1E157 Q162 K163 N164E157-Y160 PolarHBondContact O-N 3.02Å; E157-Y160 VanDerWaalsContact O-N 3.11Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q162 PolarHBondContact O-N 2.86Å; Y160-K163 PolarHBondContact O-N 2.77Å; Y160-N164 WeakPolarHBondContact O-CB 3.44Å; Y160-N164 PolarHBondContact O-N 2.97Å
161D86Confident81.4Confident33 Ų3387.4 Ų87.418%0.17643%0.425CS..Hα-helixtrans-61.5-39.8178.1-82.90.6000110.7K114 E157 S158 K163 N164 I165K114-D161 IonicContact NZ-OD2 3.02Å; K114-D161 PolarHBondContact NZ-OD2 2.59Å; E157-D161 PolarHBondContact O-N 3.35Å; S158-D161 PolarHBondContact O-N 2.99Å; D161-K163 PolarHBondContact O-N 3.24Å; D161-N164 PolarHBondContact O-N 3.28Å; D161-I165 WeakPolarHBondContact O-CB 3.39Å; D161-I165 WeakPolarHBondContact O-CG1 3.24Å; D161-I165 PolarHBondContact O-N 3.13Å
162Q92.3Very high83.2Confident78 Ų7880.1 Ų80.136%0.36439%0.386SS..Hα-helixtrans-58.9-48.1174.4-176.3177.226.200112.9V143 S158 Y160 N164 R166V143-Q162 HydrophobicContact CG1-CB 4.02Å; V143-Q162 HydrophobicContact CG1-CG 3.87Å; V143-Q162 HydrophobicContact CG2-CB 4.38Å; V143-Q162 HydrophobicContact CG2-CG 3.94Å; S158-Q162 WeakPolarHBondContact O-CB 3.49Å; S158-Q162 PolarHBondContact O-N 3.27Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q162 PolarHBondContact O-N 2.86Å; Q162-N164 VanDerWaalsContact C-N 3.32Å; Q162-N164 PolarHBondContact O-N 3.12Å; Q162-R166 WeakPolarHBondContact O-CB 3.38Å; Q162-R166 WeakPolarHBondContact O-CG 3.5Å; Q162-R166 PolarHBondContact O-N 2.84Å; Q162-R166 VanDerWaalsContact O-N 3.11Å
163K92.6Very high85.1Confident162 Ų16272 Ų7270%0.70435%0.349SS*.Hα-helixtrans-63.9-39.7177.4-73.1179.1-179177.80111.5A159 Y160 D161 R167A159-K163 PolarHBondContact O-N 2.75Å; Y160-K163 PolarHBondContact O-N 2.77Å; D161-K163 PolarHBondContact O-N 3.24Å; K163-R167 PolarHBondContact O-N 3.49Å
164N91.8Very high86.8Confident48 Ų4874.6 Ų74.626%0.25736%0.363SS..Hα-helixtrans-64.6-51.5179-164.3-73.8000111.4Y160 D161 Q162 R166 R167 R168Y160-N164 WeakPolarHBondContact O-CB 3.44Å; Y160-N164 PolarHBondContact O-N 2.97Å; D161-N164 PolarHBondContact O-N 3.28Å; Q162-N164 VanDerWaalsContact C-N 3.32Å; Q162-N164 PolarHBondContact O-N 3.12Å; N164-R166 PolarHBondContact O-N 3.43Å; N164-R167 WeakPolarHBondContact O-CB 3.47Å; N164-R167 PolarHBondContact O-N 3.34Å; N164-R167 VanDerWaalsContact O-N 3.16Å; N164-R168 VanDerWaalsContact O-CG 3.31Å; N164-R168 WeakPolarHBondContact O-CG 3.38Å; N164-R168 PolarHBondContact O-N 2.91Å
165I93.4Very high88.5Confident5 Ų573.1 Ų73.13%0.02636%0.359CS..Hα-helixtrans-56.3-49.9179-67.4167.2000110.2F119 L142 V143 F146 D161 R167 R168 V169F119-I165 HydrophobicContact CE1-CB 4.43Å; F119-I165 HydrophobicContact CE1-CD1 4.35Å; F119-I165 HydrophobicContact CE1-CG1 3.63Å; F119-I165 HydrophobicContact CE1-CG2 4.34Å; F119-I165 HydrophobicContact CZ-CG1 3.66Å; L142-I165 HydrophobicContact CB-CG2 4Å; V143-I165 HydrophobicContact CG2-CB 4.01Å; V143-I165 HydrophobicContact CG2-CD1 4.09Å; V143-I165 HydrophobicContact CG2-CG2 3.86Å; F146-I165 HydrophobicContact CB-CD1 4.09Å; F146-I165 HydrophobicContact CG-CD1 4.39Å; D161-I165 WeakPolarHBondContact O-CB 3.39Å; D161-I165 WeakPolarHBondContact O-CG1 3.24Å; D161-I165 PolarHBondContact O-N 3.13Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 3.49Å; I165-R168 CarbonylContact O-C 3.54Å; I165-R168 PolarHBondContact O-N 3.41Å; I165-V169 HydrophobicContact CG2-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.49Å; I165-V169 PolarHBondContact O-N 3.43Å
166R96Very high89.9Confident61 Ų6168.6 Ų68.623%0.2333%0.329CS..Hα-helixtrans-54.7-45.2177.9-79.8178.8173.1-88.77112.5Y135 A139 D140 Q162 N164 R168 V169 Y170Y135-R166 WeakPolarHBondContact OH-CB 3.34Å; A139-R166 HydrophobicContact CB-CG 4.08Å; D140-R166 IonicContact OD1-CZ 3.08Å; D140-R166 IonicContact OD1-NH2 2.67Å; D140-R166 PolarHBondContact OD1-NH2 3.34Å; D140-R166 IonicContact OD2-NH2 2.6Å; D140-R166 PolarHBondContact OD2-NH2 3.49Å; Q162-R166 WeakPolarHBondContact O-CB 3.38Å; Q162-R166 WeakPolarHBondContact O-CG 3.5Å; Q162-R166 PolarHBondContact O-N 2.84Å; Q162-R166 VanDerWaalsContact O-N 3.11Å; N164-R166 PolarHBondContact O-N 3.43Å; R166-R168 VanDerWaalsContact C-N 3.34Å; R166-R168 PolarHBondContact O-N 2.89Å; R166-V169 PolarHBondContact O-N 3.49Å; R166-Y170 VanDerWaalsContact O-CD2 3.23Å; R166-Y170 WeakPolarHBondContact O-CD2 3.26Å; R166-Y170 PolarHBondContact O-N 3.35Å
167R95.3Very high91.2Very high124 Ų12464.9 Ų64.947%0.46831%0.307SS..Hα-helixtrans-61.2-41.9175.7-179.965.3-166.881.45.8111.9K163 N164 I165 Y170 D171K163-R167 PolarHBondContact O-N 3.49Å; N164-R167 WeakPolarHBondContact O-CB 3.47Å; N164-R167 PolarHBondContact O-N 3.34Å; N164-R167 VanDerWaalsContact O-N 3.16Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 3.49Å; R167-Y170 PolarHBondContact O-N 3.48Å; R167-D171 IonicContact CZ-OD1 2.81Å; R167-D171 IonicContact CZ-OD2 2.76Å; R167-D171 IonicContact NH1-OD1 3.41Å; R167-D171 PolarHBondContact NH1-OD1 3.39Å; R167-D171 IonicContact NH1-OD2 3.6Å; R167-D171 PolarHBondContact NH1-OD2 3.39Å; R167-D171 IonicContact NH2-OD1 3.51Å; R167-D171 PolarHBondContact NH2-OD1 3.41Å; R167-D171 IonicContact NH2-OD2 3.16Å; R167-D171 PolarHBondContact O-N 3.26Å
168R95.8Very high92.3Very high73 Ų7363.5 Ų63.528%0.27532%0.316SS..Hα-helixtrans-70.4-33.3-179.8-62.6-71.185124.4-2.4112.9L116 F119 N164 I165 R166 Y170 D171 A172L116-R168 HydrophobicContact CD1-CB 4.29Å; F119-R168 HydrophobicContact CB-CB 4.04Å; F119-R168 HydrophobicContact CD2-CB 3.6Å; F119-R168 HydrophobicContact CD2-CG 3.64Å; F119-R168 HydrophobicContact CE2-CB 4.28Å; F119-R168 HydrophobicContact CE2-CG 3.96Å; F119-R168 HydrophobicContact CG-CB 3.96Å; F119-R168 HydrophobicContact CG-CG 4.48Å; N164-R168 VanDerWaalsContact O-CG 3.31Å; N164-R168 WeakPolarHBondContact O-CG 3.38Å; N164-R168 PolarHBondContact O-N 2.91Å; I165-R168 CarbonylContact O-C 3.54Å; I165-R168 PolarHBondContact O-N 3.41Å; R166-R168 VanDerWaalsContact C-N 3.34Å; R166-R168 PolarHBondContact O-N 2.89Å; R168-Y170 VanDerWaalsContact C-N 3.33Å; R168-Y170 PolarHBondContact O-N 2.92Å; R168-D171 IonicContact CZ-OD2 2.64Å; R168-D171 VanDerWaalsContact CZ-OD2 3.3Å; R168-D171 IonicContact NE-OD2 2.76Å; R168-D171 PolarHBondContact NE-OD2 2.94Å; R168-D171 IonicContact NH2-OD2 3.3Å; R168-D171 PolarHBondContact NH2-OD2 3.42Å; R168-D171 PolarHBondContact O-N 2.92Å; R168-A172 PolarHBondContact O-N 3.36Å
169V97.2Very high93Very high0 Ų066.9 Ų66.90%033%0.328CS..Hα-helixtrans-61.4-42.3173.9173.40000110.8V123 Y135 V138 A139 L142 I165 R166 D171 A172 L173V123-V169 HydrophobicContact CG2-CB 4.33Å; V123-V169 HydrophobicContact CG2-CG1 4.19Å; V123-V169 HydrophobicContact CG2-CG2 3.92Å; Y135-V169 HydrophobicContact CD2-CG1 3.85Å; Y135-V169 HydrophobicContact CE2-CB 4.15Å; Y135-V169 HydrophobicContact CE2-CG1 3.78Å; V138-V169 HydrophobicContact CG1-CG1 4.17Å; A139-V169 HydrophobicContact CB-CG1 4.48Å; A139-V169 HydrophobicContact CB-CG2 4.44Å; L142-V169 HydrophobicContact CD1-CG2 3.83Å; I165-V169 HydrophobicContact CG2-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.49Å; I165-V169 PolarHBondContact O-N 3.43Å; R166-V169 PolarHBondContact O-N 3.49Å; V169-D171 PolarHBondContact O-N 2.85Å; V169-A172 PolarHBondContact O-N 2.99Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.22Å; V169-L173 WeakPolarHBondContact O-CB 3.33Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 3.41Å
170Y96.7Very high93.4Very high107 Ų10770 Ų7042%0.4234%0.339SS..Hα-helixtrans-60.7-44174.2-67.8-56.3000113Y135 R166 R167 R168 A172 L173 N174Y135-Y170 AromaticContact CD1-CE1 3.91Å; Y135-Y170 HydrophobicContact CD1-CE1 3.91Å; Y135-Y170 AromaticContact CD2-CD1 3.68Å; Y135-Y170 HydrophobicContact CD2-CD1 3.68Å; Y135-Y170 AromaticContact CD2-CE1 3.4Å; Y135-Y170 HydrophobicContact CD2-CE1 3.4Å; Y135-Y170 AromaticContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE1 3.67Å; Y135-Y170 HydrophobicContact CE1-CE2 4.34Å; Y135-Y170 AromaticContact CE1-CZ 3.44Å; Y135-Y170 VanDerWaalsContact CE1-CZ 3.44Å; Y135-Y170 WeakPolarHBondContact CE1-OH 3.19Å; Y135-Y170 AromaticContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD1 3.42Å; Y135-Y170 VanDerWaalsContact CE2-CD1 3.42Å; Y135-Y170 HydrophobicContact CE2-CD2 4.14Å; Y135-Y170 AromaticContact CE2-CE1 3.12Å; Y135-Y170 HydrophobicContact CE2-CE1 3.12Å; Y135-Y170 AromaticContact CE2-CE2 3.9Å; Y135-Y170 HydrophobicContact CE2-CE2 3.9Å; Y135-Y170 AromaticContact CE2-CG 3.93Å; Y135-Y170 HydrophobicContact CE2-CG 3.93Å; Y135-Y170 AromaticContact CE2-CZ 3.4Å; Y135-Y170 HydrophobicContact CG-CD1 4.45Å; Y135-Y170 AromaticContact CG-CE1 3.79Å; Y135-Y170 HydrophobicContact CG-CE1 3.79Å; Y135-Y170 AromaticContact CZ-CE1 3.28Å; Y135-Y170 AromaticContact CZ-CE2 3.57Å; Y135-Y170 AromaticContact CZ-CZ 3.02Å; Y135-Y170 WeakPolarHBondContact OH-CE2 3.4Å; Y135-Y170 PolarHBondContact OH-OH 3.31Å; Y135-Y170 VanDerWaalsContact OH-OH 3.11Å; R166-Y170 VanDerWaalsContact O-CD2 3.23Å; R166-Y170 WeakPolarHBondContact O-CD2 3.26Å; R166-Y170 PolarHBondContact O-N 3.35Å; R167-Y170 PolarHBondContact O-N 3.48Å; R168-Y170 VanDerWaalsContact C-N 3.33Å; R168-Y170 PolarHBondContact O-N 2.92Å; Y170-A172 VanDerWaalsContact C-N 3.34Å; Y170-A172 PolarHBondContact O-N 3.43Å; Y170-L173 PolarHBondContact O-N 2.9Å; Y170-N174 VanDerWaalsContact O-CG 3.27Å; Y170-N174 PolarHBondContact O-N 2.99Å; Y170-N174 VanDerWaalsContact O-N 3.1Å
171D97Very high93.9Very high34 Ų3463.3 Ų63.318%0.18231%0.313CS..Hα-helixtrans-58.7-47.6177.2-71.9-36.2000110.8L116 R167 R168 V169 V175L116-D171 HydrophobicContact CD1-CB 3.75Å; R167-D171 IonicContact CZ-OD1 2.81Å; R167-D171 IonicContact CZ-OD2 2.76Å; R167-D171 IonicContact NH1-OD1 3.41Å; R167-D171 PolarHBondContact NH1-OD1 3.39Å; R167-D171 IonicContact NH1-OD2 3.6Å; R167-D171 PolarHBondContact NH1-OD2 3.39Å; R167-D171 IonicContact NH2-OD1 3.51Å; R167-D171 PolarHBondContact NH2-OD1 3.41Å; R167-D171 IonicContact NH2-OD2 3.16Å; R167-D171 PolarHBondContact O-N 3.26Å; R168-D171 IonicContact CZ-OD2 2.64Å; R168-D171 VanDerWaalsContact CZ-OD2 3.3Å; R168-D171 IonicContact NE-OD2 2.76Å; R168-D171 PolarHBondContact NE-OD2 2.94Å; R168-D171 IonicContact NH2-OD2 3.3Å; R168-D171 PolarHBondContact NH2-OD2 3.42Å; R168-D171 PolarHBondContact O-N 2.92Å; V169-D171 PolarHBondContact O-N 2.85Å; D171-V175 WeakPolarHBondContact O-CG2 3.19Å; D171-V175 PolarHBondContact O-N 3.22Å
172A97.2Very high94.3Very high2 Ų261.9 Ų61.92%0.01731%0.305CS..Hα-helixtrans-63.1-47.7-179.700000112.4V123 R168 V169 Y170 N174 V175 L176V123-A172 HydrophobicContact CB-CB 4.06Å; V123-A172 HydrophobicContact CG1-CB 4.1Å; V123-A172 HydrophobicContact CG2-CB 4.07Å; R168-A172 PolarHBondContact O-N 3.36Å; V169-A172 PolarHBondContact O-N 2.99Å; Y170-A172 VanDerWaalsContact C-N 3.34Å; Y170-A172 PolarHBondContact O-N 3.43Å; A172-N174 VanDerWaalsContact C-N 3.34Å; A172-N174 PolarHBondContact O-N 3.25Å; A172-V175 PolarHBondContact O-N 3.17Å; A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 VanDerWaalsContact O-CG 3.26Å; A172-L176 WeakPolarHBondContact O-CG 3.34Å; A172-L176 PolarHBondContact O-N 3.41Å
173L97Very high94.4Very high5 Ų560.8 Ų60.83%0.02631%0.307CS..Hα-helixtrans-62.5-40.1-178.8-71.1173.5000112.2V123 V127 Y135 V169 Y170 V175 L176 M177 I182 I189V123-L173 HydrophobicContact CG1-CD2 3.64Å; V123-L173 HydrophobicContact CG1-CG 4.05Å; V127-L173 HydrophobicContact CG2-CD2 4.25Å; Y135-L173 HydrophobicContact CD2-CD1 3.96Å; V169-L173 HydrophobicContact CG1-CD1 3.79Å; V169-L173 HydrophobicContact CG1-CG 4.22Å; V169-L173 WeakPolarHBondContact O-CB 3.33Å; V169-L173 VanDerWaalsContact O-CG 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 3.41Å; Y170-L173 PolarHBondContact O-N 2.9Å; L173-V175 VanDerWaalsContact C-N 3.35Å; L173-V175 PolarHBondContact O-N 2.88Å; L173-L176 PolarHBondContact O-N 3.17Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 PolarHBondContact O-N 3.31Å; L173-I182 HydrophobicContact CB-CD1 4.29Å; L173-I182 HydrophobicContact CD2-CD1 3.46Å; L173-I182 VanDerWaalsContact CD2-CD1 3.46Å; L173-I182 HydrophobicContact CG-CD1 4.49Å; L173-I189 HydrophobicContact CD1-CD1 3.77Å; L173-I189 HydrophobicContact CD2-CD1 4.06Å; L173-I189 HydrophobicContact CD2-CG2 4.46Å
174N95.9Very high94.5Very high96 Ų9657.8 Ų57.851%0.51329%0.293SS..Hα-helixtrans-63.5-41.3178.8-72-9.8000112Y170 A172 A178Y170-N174 VanDerWaalsContact O-CG 3.27Å; Y170-N174 PolarHBondContact O-N 2.99Å; Y170-N174 VanDerWaalsContact O-N 3.1Å; A172-N174 VanDerWaalsContact C-N 3.34Å; A172-N174 PolarHBondContact O-N 3.25Å; N174-A178 WeakPolarHBondContact O-CB 3.33Å; N174-A178 PolarHBondContact O-N 3.25Å
175V95.1Very high94.6Very high93 Ų9361.2 Ų61.256%0.56431%0.308SS*.Hα-helixtrans-69.4-44.4177.3177.10000111D171 A172 L173 M177 A178 M179D171-V175 WeakPolarHBondContact O-CG2 3.19Å; D171-V175 PolarHBondContact O-N 3.22Å; A172-V175 PolarHBondContact O-N 3.17Å; L173-V175 VanDerWaalsContact C-N 3.35Å; L173-V175 PolarHBondContact O-N 2.88Å; V175-M177 VanDerWaalsContact C-N 3.26Å; V175-M177 PolarHBondContact O-N 3.33Å; V175-A178 PolarHBondContact O-N 3.49Å; V175-M179 HydrophobicContact CG1-CG 4.44Å; V175-M179 WeakPolarHBondContact O-CB 3.16Å; V175-M179 VanDerWaalsContact O-CG 3.31Å; V175-M179 WeakPolarHBondContact O-CG 3.2Å; V175-M179 PolarHBondContact O-N 3.41Å
176L94.8Very high94.5Very high20 Ų2069.7 Ų69.711%0.10535%0.345CS..Hα-helixtrans-61.3-37.1177.1-70173.1000111.8V123 C124 A172 L173 M179 N180 I181 I182V123-L176 HydrophobicContact CG1-CD1 3.93Å; C124-L176 HydrophobicContact CB-CD1 4.32Å; A172-L176 WeakPolarHBondContact O-CB 3.4Å; A172-L176 VanDerWaalsContact O-CG 3.26Å; A172-L176 WeakPolarHBondContact O-CG 3.34Å; A172-L176 PolarHBondContact O-N 3.41Å; L173-L176 PolarHBondContact O-N 3.17Å; L176-M179 PolarHBondContact O-N 3.14Å; L176-N180 PolarHBondContact O-N 3.07Å; L176-I181 HydrophobicContact CB-CB 4.45Å; L176-I181 HydrophobicContact CD2-CB 4.2Å; L176-I181 HydrophobicContact CD2-CD1 3.81Å; L176-I181 HydrophobicContact CD2-CG2 4.06Å; L176-I181 WeakPolarHBondContact O-CB 3.38Å; L176-I181 PolarHBondContact O-N 2.79Å; L176-I182 HydrophobicContact CB-CD1 3.7Å; L176-I182 HydrophobicContact CB-CG1 3.8Å; L176-I182 HydrophobicContact CB-CG2 4.35Å; L176-I182 HydrophobicContact CD1-CD1 4.46Å; L176-I182 PolarHBondContact O-N 3.27Å
177M93Very high94.4Very high67 Ų6775.2 Ų75.233%0.3337%0.37SS..Hα-helixtrans-69.3-43.9175.8-169.1-170.7-33.100111.6L173 V175 M179 N180 I182 K184L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 PolarHBondContact O-N 3.31Å; V175-M177 VanDerWaalsContact C-N 3.26Å; V175-M177 PolarHBondContact O-N 3.33Å; M177-M179 PolarHBondContact O-N 3.22Å; M177-N180 PolarHBondContact O-N 3.28Å; M177-I182 HydrophobicContact CB-CG1 4.12Å; M177-K184 HydrophobicContact CE-CB 3.74Å; M177-K184 HydrophobicContact CE-CD 3.65Å; M177-K184 HydrophobicContact CE-CG 4.34Å; M177-K184 HydrophobicContact SD-CB 3.99Å
178A93.2Very high94.4Very high86 Ų8673 Ų7371%0.71137%0.366SS*.Hα-helixtrans-62.7-30.1176.200000112.8N174 V175 N180N174-A178 WeakPolarHBondContact O-CB 3.33Å; N174-A178 PolarHBondContact O-N 3.25Å; V175-A178 PolarHBondContact O-N 3.49Å; A178-N180 VanDerWaalsContact C-N 3.27Å
179M90.3Very high94.5Very high112 Ų11269.6 Ų69.655%0.55235%0.353SS*.THydrogen-bonded Turntrans-866.9175.3-65.9-61.7-62.300113.6V175 L176 M177 I181V175-M179 HydrophobicContact CG1-CG 4.44Å; V175-M179 WeakPolarHBondContact O-CB 3.16Å; V175-M179 VanDerWaalsContact O-CG 3.31Å; V175-M179 WeakPolarHBondContact O-CG 3.2Å; V175-M179 PolarHBondContact O-N 3.41Å; L176-M179 PolarHBondContact O-N 3.14Å; M177-M179 PolarHBondContact O-N 3.22Å; M179-I181 HydrophobicContact CB-CD1 3.86Å; M179-I181 HydrophobicContact CB-CG1 3.99Å; M179-I181 PolarHBondContact O-N 3.46Å; M179-I181 VanDerWaalsContact O-N 3.16Å
180N89.7Confident94.4Very high110 Ų11073.6 Ų73.659%0.58837%0.37SS*.THydrogen-bonded Turntrans54.230.9-177.3-157.352.1000113.8L176 M177 A178 I192L176-N180 PolarHBondContact O-N 3.07Å; M177-N180 PolarHBondContact O-N 3.28Å; A178-N180 VanDerWaalsContact C-N 3.27Å; N180-I192 WeakPolarHBondContact O-CD1 3.46Å; N180-I192 WeakPolarHBondContact OD1-CD1 3.14Å
181I92.1Very high94.3Very high14 Ų1471.1 Ų71.17%0.07236%0.36CS..SBendtrans-84.8-29.4175.9-63.4170.7000110.7L176 M179 W191 I192 G193 L194 P195L176-I181 HydrophobicContact CB-CB 4.45Å; L176-I181 HydrophobicContact CD2-CB 4.2Å; L176-I181 HydrophobicContact CD2-CD1 3.81Å; L176-I181 HydrophobicContact CD2-CG2 4.06Å; L176-I181 WeakPolarHBondContact O-CB 3.38Å; L176-I181 PolarHBondContact O-N 2.79Å; M179-I181 HydrophobicContact CB-CD1 3.86Å; M179-I181 HydrophobicContact CB-CG1 3.99Å; M179-I181 PolarHBondContact O-N 3.46Å; M179-I181 VanDerWaalsContact O-N 3.16Å; I181-W191 HydrophobicContact CG2-CE3 4.34Å; I181-W191 HydrophobicContact CG2-CH2 3.8Å; I181-W191 HydrophobicContact CG2-CZ3 3.64Å; I181-I192 WeakPolarHBondContact O-CB 3.47Å; I181-I192 PolarHBondContact O-N 3.01Å; I181-G193 VanDerWaalsContact CA-O 3.29Å; I181-G193 WeakPolarHBondContact CA-O 3.4Å; I181-G193 PolarHBondContact O-N 3.13Å; I181-G193 VanDerWaalsContact O-N 3.16Å; I181-L194 HydrophobicContact CD1-CD2 4.09Å; I181-L194 HydrophobicContact CG2-CD2 4.22Å; I181-P195 HydrophobicContact CG1-CG 4.47Å
182I94.1Very high94Very high2 Ų272.5 Ų72.51%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-134.3151.2176.167.6177.4000109.6V127 L173 L176 M177 I189 K190 W191 I192V127-I182 HydrophobicContact CB-CG2 4.39Å; V127-I182 HydrophobicContact CG1-CG2 3.71Å; L173-I182 HydrophobicContact CB-CD1 4.29Å; L173-I182 HydrophobicContact CD2-CD1 3.46Å; L173-I182 VanDerWaalsContact CD2-CD1 3.46Å; L173-I182 HydrophobicContact CG-CD1 4.49Å; L176-I182 HydrophobicContact CB-CD1 3.7Å; L176-I182 HydrophobicContact CB-CG1 3.8Å; L176-I182 HydrophobicContact CB-CG2 4.35Å; L176-I182 HydrophobicContact CD1-CD1 4.46Å; L176-I182 PolarHBondContact O-N 3.27Å; M177-I182 HydrophobicContact CB-CG1 4.12Å; I182-I189 HydrophobicContact CB-CG2 4.25Å; I182-I189 HydrophobicContact CD1-CG2 3.95Å; I182-K190 CarbonylContact C-O 3.53Å; I182-K190 WeakPolarHBondContact CA-O 3.3Å; I182-K190 WeakPolarHBondContact CB-O 3.49Å; I182-W191 HydrophobicContact CG2-CE3 4.02Å; I182-W191 HydrophobicContact CG2-CZ3 4.4Å; I182-I192 VanDerWaalsContact C-CD1 3.42Å
183S94.4Very high93.3Very high56 Ų5673 Ų7339%0.39237%0.372SS..EExtended strand (participates in β ladder)trans-105.8145.8166.9-179.70000109.5I189 K190S183-I189 CarbonylContact O-C 3.6Å; S183-I189 VanDerWaalsContact O-CA 3.28Å; S183-I189 WeakPolarHBondContact O-CA 3.46Å; S183-K190 PolarHBondContact N-O 3.1Å; S183-K190 PolarHBondContact O-N 3.16Å
184K94.3Very high92.6Very high98 Ų9876.7 Ų76.743%0.42639%0.391SS..EExtended strand (participates in β ladder)trans-126.8111.2173.9-178.7176.3178.4-69.70110.1M177 K186 E188 I189M177-K184 HydrophobicContact CE-CB 3.74Å; M177-K184 HydrophobicContact CE-CD 3.65Å; M177-K184 HydrophobicContact CE-CG 4.34Å; M177-K184 HydrophobicContact SD-CB 3.99Å; K184-K186 PolarHBondContact NZ-O 3.44Å; K184-E188 CarbonylContact C-O 3.57Å; K184-E188 VanDerWaalsContact CA-O 3.31Å; K184-E188 WeakPolarHBondContact CA-O 3.37Å; K184-I189 HydrophobicContact CB-CG1 4.46Å; K184-I189 HydrophobicContact CD-CG1 4.46Å; K184-I189 HydrophobicContact CG-CG1 4.14Å
185E93.7Very high91.3Very high120 Ų12075.3 Ų75.356%0.56139%0.388SS*.EExtended strand (participates in β ladder)trans-111.5111.3174.2-168.4177.8176.200109.6K187 E188E185-K187 PolarHBondContact O-N 2.86Å; E185-E188 PolarHBondContact N-O 3.33Å; E185-E188 WeakPolarHBondContact O-CB 3.49Å; E185-E188 PolarHBondContact O-N 3.33Å
186K92Very high89.8Confident184 Ų18476.1 Ų76.180%0.839%0.393SS*.THydrogen-bonded Turntrans52.5-103.5-172.2-61.7172.7-179.9168.20111.7K184K184-K186 PolarHBondContact NZ-O 3.44Å
187K93.8Very high88.2Confident177 Ų17779 Ų7977%0.7741%0.408SS*.THydrogen-bonded Turntrans-102.3-13.3-179.7-65.2-175.3179.8179.30113.1S134 E185S134-K187 WeakPolarHBondContact CA-O 3.22Å; S134-K187 WeakPolarHBondContact CB-O 3.22Å; E185-K187 PolarHBondContact O-N 2.86Å
188E96.2Very high86.9Confident78 Ų7878.9 Ų78.936%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-87.4135.5-178.3-172.1173.879.400110.2T132 K184 E185 K190T132-E188 HydrophobicContact CG2-CG 3.52Å; K184-E188 CarbonylContact C-O 3.57Å; K184-E188 VanDerWaalsContact CA-O 3.31Å; K184-E188 WeakPolarHBondContact CA-O 3.37Å; E185-E188 PolarHBondContact N-O 3.33Å; E185-E188 WeakPolarHBondContact O-CB 3.49Å; E185-E188 PolarHBondContact O-N 3.33Å; E188-K190 HydrophobicContact CG-CG 4.35Å; E188-K190 WeakPolarHBondContact OE1-CE 3.34Å; E188-K190 IonicContact OE1-NZ 3.84Å; E188-K190 PolarHBondContact OE1-NZ 3.44Å
189I96.9Very high85.9Confident1 Ų177.8 Ų77.81%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-123119.6177.6-58.8173.4000107.2V127 T132 T133 L173 I182 S183 K184V127-I189 HydrophobicContact CG1-CG2 3.95Å; V127-I189 HydrophobicContact CG2-CG2 4.37Å; T132-I189 CarbonylContact C-O 3.58Å; T132-I189 WeakPolarHBondContact CA-O 3.39Å; T133-I189 HydrophobicContact CG2-CB 4.16Å; T133-I189 HydrophobicContact CG2-CG2 4.43Å; T133-I189 PolarHBondContact N-O 3.22Å; T133-I189 PolarHBondContact O-N 3.21Å; L173-I189 HydrophobicContact CD1-CD1 3.77Å; L173-I189 HydrophobicContact CD2-CD1 4.06Å; L173-I189 HydrophobicContact CD2-CG2 4.46Å; I182-I189 HydrophobicContact CB-CG2 4.25Å; I182-I189 HydrophobicContact CD1-CG2 3.95Å; S183-I189 CarbonylContact O-C 3.6Å; S183-I189 VanDerWaalsContact O-CA 3.28Å; S183-I189 WeakPolarHBondContact O-CA 3.46Å; K184-I189 HydrophobicContact CB-CG1 4.46Å; K184-I189 HydrophobicContact CD-CG1 4.46Å; K184-I189 HydrophobicContact CG-CG1 4.14Å
190K95.2Very high85.2Confident83 Ų8377 Ų7736%0.36140%0.4SS..EExtended strand (participates in β ladder)trans-109.3138.3179.4-69.6178.3173.1141.70110.6G131 T132 I182 S183 E188G131-K190 CarbonylContact O-C 3.53Å; G131-K190 WeakPolarHBondContact O-CA 3.47Å; T132-K190 HydrophobicContact CG2-CG 4.1Å; I182-K190 CarbonylContact C-O 3.53Å; I182-K190 WeakPolarHBondContact CA-O 3.3Å; I182-K190 WeakPolarHBondContact CB-O 3.49Å; S183-K190 PolarHBondContact N-O 3.1Å; S183-K190 PolarHBondContact O-N 3.16Å; E188-K190 HydrophobicContact CG-CG 4.35Å; E188-K190 WeakPolarHBondContact OE1-CE 3.34Å; E188-K190 IonicContact OE1-NZ 3.84Å; E188-K190 PolarHBondContact OE1-NZ 3.44Å
191W94.3Very high84.4Confident56 Ų5677.1 Ų77.121%0.21240%0.397CS..EExtended strand (participates in β ladder)trans-71.9125.9169.2-178.9-105.2000110V127 Q128 G131 I181 I182 L194V127-W191 HydrophobicContact CB-CE3 4.29Å; V127-W191 HydrophobicContact CG1-CB 4.25Å; V127-W191 HydrophobicContact CG1-CE3 4.1Å; Q128-W191 VanDerWaalsContact CA-CD2 3.47Å; Q128-W191 HydrophobicContact CB-CD2 3.74Å; Q128-W191 HydrophobicContact CB-CE3 3.74Å; Q128-W191 HydrophobicContact CB-CG 4.46Å; Q128-W191 HydrophobicContact CB-CH2 3.77Å; Q128-W191 HydrophobicContact CB-CZ2 3.76Å; Q128-W191 HydrophobicContact CB-CZ3 3.75Å; Q128-W191 HydrophobicContact CG-CD2 4.05Å; Q128-W191 HydrophobicContact CG-CE3 4.49Å; Q128-W191 HydrophobicContact CG-CH2 4.09Å; Q128-W191 HydrophobicContact CG-CZ2 3.59Å; G131-W191 WeakPolarHBondContact O-CB 3.34Å; G131-W191 PolarHBondContact O-N 2.77Å; I181-W191 HydrophobicContact CG2-CE3 4.34Å; I181-W191 HydrophobicContact CG2-CH2 3.8Å; I181-W191 HydrophobicContact CG2-CZ3 3.64Å; I182-W191 HydrophobicContact CG2-CE3 4.02Å; I182-W191 HydrophobicContact CG2-CZ3 4.4Å; W191-L194 HydrophobicContact CH2-CD2 4.39Å; W191-L194 HydrophobicContact CH2-CG 4.33Å; W191-L194 HydrophobicContact CZ2-CG 4.44Å
192I90.1Very high83.9Confident63 Ų6380.1 Ų80.132%0.32342%0.418SS..  trans-97.4-48.3172.9-57.7173000109.2N180 I181 I182N180-I192 WeakPolarHBondContact O-CD1 3.46Å; N180-I192 WeakPolarHBondContact OD1-CD1 3.14Å; I181-I192 WeakPolarHBondContact O-CB 3.47Å; I181-I192 PolarHBondContact O-N 3.01Å; I182-I192 VanDerWaalsContact C-CD1 3.42Å
193G83.8Confident83.5Confident12 Ų1285.5 Ų85.512%0.12444%0.444CS..  trans136.7158.9-176.100000112.1I181I181-G193 VanDerWaalsContact CA-O 3.29Å; I181-G193 WeakPolarHBondContact CA-O 3.4Å; I181-G193 PolarHBondContact O-N 3.13Å; I181-G193 VanDerWaalsContact O-N 3.16Å
194L81.7Confident83.2Confident82 Ų8287.2 Ų87.243%0.42945%0.448SS..  trans-64.4157.5168.1-67.6175.3000109.4I181 W191 T196 N197I181-L194 HydrophobicContact CD1-CD2 4.09Å; I181-L194 HydrophobicContact CG2-CD2 4.22Å; W191-L194 HydrophobicContact CH2-CD2 4.39Å; W191-L194 HydrophobicContact CH2-CG 4.33Å; W191-L194 HydrophobicContact CZ2-CG 4.44Å; L194-T196 PolarHBondContact O-N 3.01Å; L194-N197 PolarHBondContact O-N 3.33Å
195P69Low83Confident68 Ų6888.3 Ų88.344%0.44246%0.458SS..THydrogen-bonded Turntrans-52.7-10.4176.6-27.236.4000114.3I181 N197 S198I181-P195 HydrophobicContact CG1-CG 4.47Å; P195-N197 PolarHBondContact O-N 2.96Å; P195-S198 WeakPolarHBondContact O-CA 3.34Å; P195-S198 WeakPolarHBondContact O-CB 3.34Å; P195-S198 PolarHBondContact O-N 3.44Å; P195-S198 PolarHBondContact O-OG 3.02Å
196T62.7Low82.9Confident109 Ų10986.8 Ų86.867%0.66945%0.451SS*.THydrogen-bonded Turntrans-53-27.6165.9-42.20000114.1L194 S198 A199L194-T196 PolarHBondContact O-N 3.01Å; T196-S198 PolarHBondContact O-N 3.46Å; T196-A199 WeakPolarHBondContact O-CB 3.47Å; T196-A199 PolarHBondContact O-N 3.47Å; T196-A199 VanDerWaalsContact O-N 3.07Å
197N61.8Low83Confident81 Ų8182.6 Ų82.643%0.43344%0.44SS..Hα-helixtrans-61.8-28.7171.3-162.9-3.2000111.8L194 P195 A199 Q200 E201L194-N197 PolarHBondContact O-N 3.33Å; P195-N197 PolarHBondContact O-N 2.96Å; N197-A199 PolarHBondContact O-N 3.35Å; N197-Q200 PolarHBondContact O-N 3.04Å; N197-E201 PolarHBondContact O-N 3.34Å
198S65.3Low83Confident64 Ų6477 Ų7745%0.44842%0.417SS..Hα-helixtrans-64-20174.175.70000113.8P195 T196 E201 C202P195-S198 WeakPolarHBondContact O-CA 3.34Å; P195-S198 WeakPolarHBondContact O-CB 3.34Å; P195-S198 PolarHBondContact O-N 3.44Å; P195-S198 PolarHBondContact O-OG 3.02Å; T196-S198 PolarHBondContact O-N 3.46Å; S198-E201 PolarHBondContact O-N 2.96Å; S198-C202 WeakPolarHBondContact O-CB 3.38Å; S198-C202 PolarHBondContact O-N 3.37Å
199A72.6Confident83Confident63 Ų6379 Ų7952%0.52142%0.422SS..Hα-helixtrans-68.8-39.9175.500000111.4T196 N197 C202 Q203T196-A199 WeakPolarHBondContact O-CB 3.47Å; T196-A199 PolarHBondContact O-N 3.47Å; T196-A199 VanDerWaalsContact O-N 3.07Å; N197-A199 PolarHBondContact O-N 3.35Å; A199-C202 PolarHBondContact O-N 3.43Å; A199-Q203 WeakPolarHBondContact O-CB 3.41Å; A199-Q203 PolarHBondContact O-N 3.34Å
200Q75.6Confident83Confident97 Ų9784.3 Ų84.345%0.45345%0.446SS..Hα-helixtrans-70-40.7174.1-172.562.552.900111.1N197 C202 Q203 N204N197-Q200 PolarHBondContact O-N 3.04Å; Q200-C202 VanDerWaalsContact C-N 3.35Å; Q200-Q203 PolarHBondContact O-N 3.24Å; Q200-N204 PolarHBondContact NE2-OD1 3.04Å; Q200-N204 VanDerWaalsContact NE2-OD1 3.08Å; Q200-N204 WeakPolarHBondContact O-CB 3.41Å; Q200-N204 PolarHBondContact O-N 3.12Å; Q200-N204 PolarHBondContact O-OD1 3.41Å
201E73Confident83.1Confident111 Ų11188.1 Ų88.152%0.51946%0.458SS..Hα-helixtrans-62.1-42.3173.1-67.1-179.6-178.900111.6N197 S198 Q203 N204 L205N197-E201 PolarHBondContact O-N 3.34Å; S198-E201 PolarHBondContact O-N 2.96Å; E201-Q203 PolarHBondContact O-N 2.93Å; E201-N204 PolarHBondContact O-N 2.97Å; E201-L205 VanDerWaalsContact O-CB 3.31Å; E201-L205 WeakPolarHBondContact O-CB 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.32Å; E201-L205 PolarHBondContact O-N 2.98Å
202C81.9Confident83.2Confident78 Ų7892.3 Ų92.353%0.52747%0.474SS..Hα-helixtrans-60.7-44.4175-174.50000111S198 A199 Q200 L205 E206S198-C202 WeakPolarHBondContact O-CB 3.38Å; S198-C202 PolarHBondContact O-N 3.37Å; A199-C202 PolarHBondContact O-N 3.43Å; Q200-C202 VanDerWaalsContact C-N 3.35Å; C202-L205 PolarHBondContact O-N 3.16Å; C202-E206 WeakPolarHBondContact O-CB 3.32Å; C202-E206 PolarHBondContact O-N 3.23Å
203Q85.7Confident83.5Confident115 Ų11591 Ų9154%0.53747%0.468SS..Hα-helixtrans-62.2-45.5174.9-172.2178.811.500111.9A199 Q200 E201 L205 E206 V207A199-Q203 WeakPolarHBondContact O-CB 3.41Å; A199-Q203 PolarHBondContact O-N 3.34Å; Q200-Q203 PolarHBondContact O-N 3.24Å; E201-Q203 PolarHBondContact O-N 2.93Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-L205 PolarHBondContact O-N 3.26Å; Q203-E206 PolarHBondContact O-N 2.87Å; Q203-V207 WeakPolarHBondContact O-CG2 3.19Å; Q203-V207 PolarHBondContact O-N 3.43Å
204N88.3Confident84Confident92 Ų9294.3 Ų94.349%0.49248%0.48SS..Hα-helixtrans-62.7-39.9177.3-68.7-7.8000111.6Q200 E201 V207 E208Q200-N204 PolarHBondContact NE2-OD1 3.04Å; Q200-N204 VanDerWaalsContact NE2-OD1 3.08Å; Q200-N204 WeakPolarHBondContact O-CB 3.41Å; Q200-N204 PolarHBondContact O-N 3.12Å; Q200-N204 PolarHBondContact O-OD1 3.41Å; E201-N204 PolarHBondContact O-N 2.97Å; N204-V207 PolarHBondContact O-N 3.45Å; N204-E208 WeakPolarHBondContact O-CB 3.42Å; N204-E208 PolarHBondContact O-N 3.36Å
205L89.8Confident84.8Confident120 Ų12095.4 Ų95.463%0.62848%0.478SS*.Hα-helixtrans-66.9-36.4175.3-73.5172.1000111.9E201 C202 Q203 E208 R209E201-L205 VanDerWaalsContact O-CB 3.31Å; E201-L205 WeakPolarHBondContact O-CB 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.32Å; E201-L205 PolarHBondContact O-N 2.98Å; C202-L205 PolarHBondContact O-N 3.16Å; Q203-L205 VanDerWaalsContact C-N 3.32Å; Q203-L205 PolarHBondContact O-N 3.26Å; L205-E208 PolarHBondContact O-N 3.14Å; L205-R209 WeakPolarHBondContact O-CB 3.3Å; L205-R209 PolarHBondContact O-N 2.92Å
206E91.8Very high86.1Confident88 Ų8896 Ų9641%0.41148%0.477SS..Hα-helixtrans-68.9-39.7175.7-165.559.4-143.100111.4C202 Q203 R209 Q210C202-E206 WeakPolarHBondContact O-CB 3.32Å; C202-E206 PolarHBondContact O-N 3.23Å; Q203-E206 PolarHBondContact O-N 2.87Å; E206-R209 WeakPolarHBondContact O-CB 3.36Å; E206-R209 PolarHBondContact O-N 3.23Å; E206-R209 IonicContact OE1-CZ 2.64Å; E206-R209 IonicContact OE1-NH1 2.62Å; E206-R209 PolarHBondContact OE1-NH1 3.32Å; E206-R209 IonicContact OE2-NH1 2.66Å; E206-Q210 WeakPolarHBondContact O-CB 3.34Å; E206-Q210 PolarHBondContact O-N 2.99Å
207V94.1Very high87.6Confident96 Ų9696.7 Ų96.758%0.58247%0.47SS*.Hα-helixtrans-62.7-45.8173172.80000111.1Q203 N204 R209 Q210 R211Q203-V207 WeakPolarHBondContact O-CG2 3.19Å; Q203-V207 PolarHBondContact O-N 3.43Å; N204-V207 PolarHBondContact O-N 3.45Å; V207-R209 VanDerWaalsContact C-N 3.35Å; V207-Q210 PolarHBondContact O-N 3.16Å; V207-R211 WeakPolarHBondContact O-CB 3.21Å; V207-R211 PolarHBondContact O-N 3.25Å
208E94Very high89.2Confident60 Ų6097.7 Ų97.728%0.2847%0.472SS..Hα-helixtrans-66.5-37.1176.6177.359.6-165.900111.8N204 L205 R211 R212N204-E208 WeakPolarHBondContact O-CB 3.42Å; N204-E208 PolarHBondContact O-N 3.36Å; L205-E208 PolarHBondContact O-N 3.14Å; E208-R211 PolarHBondContact O-N 3.38Å; E208-R212 WeakPolarHBondContact O-CB 3.48Å; E208-R212 VanDerWaalsContact O-CG 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.37Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 IonicContact OE1-NE 3.93Å; E208-R212 PolarHBondContact OE1-NE 2.96Å; E208-R212 IonicContact OE1-NH2 2.77Å; E208-R212 PolarHBondContact OE1-NH2 3.23Å
209R95.5Very high90.8Very high121 Ų121100.8 Ų100.846%0.45748%0.478SS..Hα-helixtrans-58.9-49.4172178.1179.7178.7-105.4-3110.2L205 E206 V207 R211 R212 L213L205-R209 WeakPolarHBondContact O-CB 3.3Å; L205-R209 PolarHBondContact O-N 2.92Å; E206-R209 WeakPolarHBondContact O-CB 3.36Å; E206-R209 PolarHBondContact O-N 3.23Å; E206-R209 IonicContact OE1-CZ 2.64Å; E206-R209 IonicContact OE1-NH1 2.62Å; E206-R209 PolarHBondContact OE1-NH1 3.32Å; E206-R209 IonicContact OE2-NH1 2.66Å; V207-R209 VanDerWaalsContact C-N 3.35Å; R209-R211 VanDerWaalsContact C-N 3.34Å; R209-R211 PolarHBondContact O-N 3.03Å; R209-R212 PolarHBondContact O-N 2.67Å; R209-L213 HydrophobicContact CG-CD1 4.16Å; R209-L213 HydrophobicContact CG-CG 4.46Å; R209-L213 WeakPolarHBondContact O-CG 3.48Å; R209-L213 PolarHBondContact O-N 2.91Å
210Q96.5Very high91.8Very high111 Ų11199.5 Ų99.552%0.51946%0.461SS..Hα-helixtrans-61.1-43178.4-170.859.426.700111.8E206 V207 R212 L213 E214E206-Q210 WeakPolarHBondContact O-CB 3.34Å; E206-Q210 PolarHBondContact O-N 2.99Å; V207-Q210 PolarHBondContact O-N 3.16Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.33Å; Q210-L213 PolarHBondContact O-N 3.1Å; Q210-E214 PolarHBondContact O-N 3.2Å
211R97.3Very high92.7Very high164 Ų16498.1 Ų98.162%0.61946%0.462SS*.Hα-helixtrans-60.5-40.6175.4-170-178-166.9-177.47.2112.4V207 E208 R209 R215V207-R211 WeakPolarHBondContact O-CB 3.21Å; V207-R211 PolarHBondContact O-N 3.25Å; E208-R211 PolarHBondContact O-N 3.38Å; R209-R211 VanDerWaalsContact C-N 3.34Å; R209-R211 PolarHBondContact O-N 3.03Å; R211-R215 PolarHBondContact O-N 3.3Å
212R96.5Very high93.8Very high143 Ų14398.6 Ų98.654%0.5446%0.464SS..Hα-helixtrans-69.5-40.7176.7-73.8-179.8-174.9-156.23.9112E208 R209 Q210 R215 I216E208-R212 WeakPolarHBondContact O-CB 3.48Å; E208-R212 VanDerWaalsContact O-CG 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.37Å; E208-R212 IonicContact OE1-CZ 2.75Å; E208-R212 IonicContact OE1-NE 3.93Å; E208-R212 PolarHBondContact OE1-NE 2.96Å; E208-R212 IonicContact OE1-NH2 2.77Å; E208-R212 PolarHBondContact OE1-NH2 3.23Å; R209-R212 PolarHBondContact O-N 2.67Å; Q210-R212 VanDerWaalsContact C-N 3.33Å; Q210-R212 PolarHBondContact O-N 3.33Å; R212-R215 PolarHBondContact O-N 2.87Å; R212-I216 WeakPolarHBondContact O-CB 3.45Å; R212-I216 VanDerWaalsContact O-CG1 3.26Å; R212-I216 WeakPolarHBondContact O-CG1 3.32Å; R212-I216 PolarHBondContact O-N 3.38Å
213L96.3Very high94.5Very high37 Ų3797.4 Ų97.419%0.19445%0.453CS..Hα-helixtrans-60.5-44.4177.2-73.6176.7000111.6R209 Q210 R215 I216 K217 I347R209-L213 HydrophobicContact CG-CD1 4.16Å; R209-L213 HydrophobicContact CG-CG 4.46Å; R209-L213 WeakPolarHBondContact O-CG 3.48Å; R209-L213 PolarHBondContact O-N 2.91Å; Q210-L213 PolarHBondContact O-N 3.1Å; L213-R215 PolarHBondContact O-N 3.37Å; L213-I216 PolarHBondContact O-N 3.21Å; L213-K217 PolarHBondContact O-N 3.42Å; L213-I347 HydrophobicContact CD2-CD1 3.65Å; L213-I347 HydrophobicContact CD2-CG1 3.81Å; L213-I347 HydrophobicContact CD2-CG2 4.31Å
214E95.7Very high94.9Very high81 Ų8193.6 Ų93.638%0.37944%0.435SS..Hα-helixtrans-62.9-43176-176.353.6-145.900111.7Q210 I216 K217 Q218Q210-E214 PolarHBondContact O-N 3.2Å; E214-I216 VanDerWaalsContact C-N 3.33Å; E214-I216 PolarHBondContact O-N 2.77Å; E214-K217 WeakPolarHBondContact O-CB 3.35Å; E214-K217 PolarHBondContact O-N 3.24Å; E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.05Å; E214-Q218 PolarHBondContact OE1-NE2 3.42Å; E214-Q218 VanDerWaalsContact OE1-NE2 3.13Å
215R97Very high95.2Very high105 Ų10592.1 Ų92.140%0.39643%0.425SS..Hα-helixtrans-64.1-37.2175.8-163.2-170.8-57.1144.14.4112.5R211 R212 L213 K219R211-R215 PolarHBondContact O-N 3.3Å; R212-R215 PolarHBondContact O-N 2.87Å; L213-R215 PolarHBondContact O-N 3.37Å; R215-K219 WeakPolarHBondContact O-CB 3.44Å; R215-K219 WeakPolarHBondContact O-CG 3.47Å; R215-K219 PolarHBondContact O-N 2.96Å
216I96.8Very high95.6Very high79 Ų7991.3 Ų91.341%0.40542%0.421SS..Hα-helixtrans-63.8-46.5175.6-73.6165.3000109.7R212 L213 E214 Q218 K219 Q220R212-I216 WeakPolarHBondContact O-CB 3.45Å; R212-I216 VanDerWaalsContact O-CG1 3.26Å; R212-I216 WeakPolarHBondContact O-CG1 3.32Å; R212-I216 PolarHBondContact O-N 3.38Å; L213-I216 PolarHBondContact O-N 3.21Å; E214-I216 VanDerWaalsContact C-N 3.33Å; E214-I216 PolarHBondContact O-N 2.77Å; I216-Q218 PolarHBondContact O-N 3.04Å; I216-K219 PolarHBondContact O-N 3.25Å; I216-Q220 HydrophobicContact CG2-CG 4.29Å; I216-Q220 WeakPolarHBondContact O-CB 3.36Å; I216-Q220 VanDerWaalsContact O-CG 3.31Å; I216-Q220 WeakPolarHBondContact O-CG 3.35Å; I216-Q220 PolarHBondContact O-N 3.25Å
217K94.9Very high95.8Very high124 Ų12487.3 Ų87.354%0.53940%0.402SS..Hα-helixtrans-57.1-48.6177-177-175.2176.3-171.60111.9L213 E214 K219 Q220 S221L213-K217 PolarHBondContact O-N 3.42Å; E214-K217 WeakPolarHBondContact O-CB 3.35Å; E214-K217 PolarHBondContact O-N 3.24Å; K217-K219 PolarHBondContact O-N 3.45Å; K217-Q220 WeakPolarHBondContact O-CB 3.49Å; K217-Q220 PolarHBondContact O-N 3.29Å; K217-S221 PolarHBondContact O-N 2.83Å; K217-S221 PolarHBondContact O-OG 2.89Å
218Q95.7Very high95.9Very high102 Ų10283.2 Ų83.248%0.47738%0.377SS..Hα-helixtrans-60.3-45.2177.2-69.2174.37.400112.2E214 I216 Q220 S221 Q222E214-Q218 WeakPolarHBondContact O-CG 3.46Å; E214-Q218 PolarHBondContact O-N 3.05Å; E214-Q218 PolarHBondContact OE1-NE2 3.42Å; E214-Q218 VanDerWaalsContact OE1-NE2 3.13Å; I216-Q218 PolarHBondContact O-N 3.04Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.28Å; Q218-S221 PolarHBondContact O-N 3.48Å; Q218-Q222 WeakPolarHBondContact O-CG 3.31Å; Q218-Q222 PolarHBondContact O-N 3.27Å
219K97.2Very high96.1Very high129 Ų12984 Ų8456%0.56138%0.38SS*.Hα-helixtrans-66.9-32.6177.7-75.4-176.6175.7-1680113R215 I216 K217 L223R215-K219 WeakPolarHBondContact O-CB 3.44Å; R215-K219 WeakPolarHBondContact O-CG 3.47Å; R215-K219 PolarHBondContact O-N 2.96Å; I216-K219 PolarHBondContact O-N 3.25Å; K217-K219 PolarHBondContact O-N 3.45Å; K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.29Å; K219-L223 PolarHBondContact O-N 2.96Å
220Q94.4Very high96.1Very high36 Ų3681.7 Ų81.717%0.16838%0.375CS..Hα-helixtrans-64.1-48.5173-77.7172.7-29.800110.6I216 K217 Q218 Q222 L223 Q224 F346I216-Q220 HydrophobicContact CG2-CG 4.29Å; I216-Q220 WeakPolarHBondContact O-CB 3.36Å; I216-Q220 VanDerWaalsContact O-CG 3.31Å; I216-Q220 WeakPolarHBondContact O-CG 3.35Å; I216-Q220 PolarHBondContact O-N 3.25Å; K217-Q220 WeakPolarHBondContact O-CB 3.49Å; K217-Q220 PolarHBondContact O-N 3.29Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.28Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 2.85Å; Q220-L223 PolarHBondContact O-N 2.85Å; Q220-Q224 VanDerWaalsContact O-CG 3.32Å; Q220-Q224 WeakPolarHBondContact O-CG 3.49Å; Q220-Q224 PolarHBondContact O-N 3.34Å; Q220-F346 VanDerWaalsContact NE2-CD2 3.27Å
221S94Very high96.2Very high69 Ų6976.4 Ų76.448%0.48335%0.35SS..Hα-helixtrans-60.2-42.8175.6-59.30000112.3K217 Q218 Q224 E225K217-S221 PolarHBondContact O-N 2.83Å; K217-S221 PolarHBondContact O-OG 2.89Å; Q218-S221 PolarHBondContact O-N 3.48Å; S221-Q224 PolarHBondContact O-N 3.14Å; S221-E225 PolarHBondContact O-N 2.97Å
222Q96.1Very high96.2Very high120 Ų12068.6 Ų68.656%0.56132%0.321SS*.Hα-helixtrans-61.6-44.5174.8-72.7173.8-3.500112.3Q218 Q220 Q224 E225 L226Q218-Q222 WeakPolarHBondContact O-CG 3.31Å; Q218-Q222 PolarHBondContact O-N 3.27Å; Q220-Q222 VanDerWaalsContact C-N 3.34Å; Q220-Q222 PolarHBondContact O-N 2.85Å; Q222-Q224 VanDerWaalsContact C-N 3.31Å; Q222-Q224 PolarHBondContact O-N 3.23Å; Q222-E225 PolarHBondContact O-N 3.09Å; Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 3.47Å
223L96.6Very high96.2Very high54 Ų5467 Ų6728%0.28332%0.318SS..Hα-helixtrans-61.5-41.1177.9177.162.3000111.4K219 Q220 L226 I227 Y333K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.29Å; K219-L223 PolarHBondContact O-N 2.96Å; Q220-L223 PolarHBondContact O-N 2.85Å; L223-L226 PolarHBondContact O-N 3.45Å; L223-I227 HydrophobicContact CD1-CD1 4.18Å; L223-I227 HydrophobicContact CD1-CG1 4.39Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.88Å; L223-Y333 HydrophobicContact CD2-CD1 3.99Å; L223-Y333 HydrophobicContact CD2-CD2 4.4Å; L223-Y333 HydrophobicContact CD2-CE1 3.81Å; L223-Y333 HydrophobicContact CD2-CE2 4.25Å; L223-Y333 HydrophobicContact CD2-CG 4.27Å
224Q94.5Very high96.3Very high35 Ų3568.8 Ų68.816%0.16432%0.324CS..Hα-helixtrans-63.5-45.6177.4-72.8-177.2-27.300112.1Q220 S221 Q222 L226 I227 L228 M337Q220-Q224 VanDerWaalsContact O-CG 3.32Å; Q220-Q224 WeakPolarHBondContact O-CG 3.49Å; Q220-Q224 PolarHBondContact O-N 3.34Å; S221-Q224 PolarHBondContact O-N 3.14Å; Q222-Q224 VanDerWaalsContact C-N 3.31Å; Q222-Q224 PolarHBondContact O-N 3.23Å; Q224-L226 VanDerWaalsContact C-N 3.31Å; Q224-L226 PolarHBondContact O-N 2.96Å; Q224-I227 PolarHBondContact O-N 3.47Å; Q224-I227 VanDerWaalsContact O-N 3.12Å; Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 2.94Å; Q224-M337 HydrophobicContact CB-CE 4.06Å; Q224-M337 HydrophobicContact CB-SD 4.2Å; Q224-M337 HydrophobicContact CG-CE 4.34Å; Q224-M337 HydrophobicContact CG-CG 3.99Å; Q224-M337 HydrophobicContact CG-SD 3.88Å
225E95.2Very high96.4Very high61 Ų6166.1 Ų66.129%0.28531%0.313SS..Hα-helixtrans-59.6-43176.4-174.155-14400111.4S221 Q222 I227 L228 Q229 K301S221-E225 PolarHBondContact O-N 2.97Å; Q222-E225 PolarHBondContact O-N 3.09Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.31Å; E225-L228 PolarHBondContact O-N 3.44Å; E225-Q229 WeakPolarHBondContact O-CG 3.46Å; E225-Q229 PolarHBondContact O-N 3.37Å; E225-K301 WeakPolarHBondContact OE1-CE 3.38Å; E225-K301 IonicContact OE1-NZ 3.75Å; E225-K301 PolarHBondContact OE1-NZ 3.45Å; E225-K301 IonicContact OE2-NZ 2.66Å; E225-K301 PolarHBondContact OE2-NZ 3.22Å
226L97.5Very high96.5Very high102 Ų10261.9 Ų61.953%0.53430%0.298SS..Hα-helixtrans-63.7-36.8174.9-70.1172.4000112.9Q222 L223 Q224 Q230Q222-L226 WeakPolarHBondContact O-CG 3.38Å; Q222-L226 PolarHBondContact O-N 3.47Å; L223-L226 PolarHBondContact O-N 3.45Å; Q224-L226 VanDerWaalsContact C-N 3.31Å; Q224-L226 PolarHBondContact O-N 2.96Å; L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.95Å
227I96.7Very high96.5Very high4 Ų460.9 Ų60.92%0.02130%0.295CS..Hα-helixtrans-66.3-44.2174.8-73.2169.7000110.5L223 Q224 E225 Q229 Q230 I231 V326 L330 Y333 V334 M337L223-I227 HydrophobicContact CD1-CD1 4.18Å; L223-I227 HydrophobicContact CD1-CG1 4.39Å; L223-I227 HydrophobicContact CG-CD1 3.99Å; L223-I227 VanDerWaalsContact O-CG1 3.3Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 2.88Å; Q224-I227 PolarHBondContact O-N 3.47Å; Q224-I227 VanDerWaalsContact O-N 3.12Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.31Å; I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 3.43Å; I227-Q230 PolarHBondContact O-N 2.78Å; I227-I231 HydrophobicContact CG2-CD1 3.75Å; I227-I231 HydrophobicContact CG2-CG1 4.49Å; I227-I231 VanDerWaalsContact O-CG1 3.32Å; I227-I231 WeakPolarHBondContact O-CG1 3.31Å; I227-I231 PolarHBondContact O-N 2.88Å; I227-V326 HydrophobicContact CG2-CG1 4.33Å; I227-L330 HydrophobicContact CD1-CB 4.47Å; I227-L330 HydrophobicContact CG1-CD1 4.28Å; I227-Y333 HydrophobicContact CD1-CG 4.34Å; I227-V334 HydrophobicContact CG2-CG2 3.81Å; I227-M337 HydrophobicContact CB-SD 4.34Å; I227-M337 HydrophobicContact CD1-SD 4.49Å; I227-M337 HydrophobicContact CG2-CE 4.26Å; I227-M337 HydrophobicContact CG2-SD 3.95Å
228L96.5Very high96.6Very high10 Ų1059.5 Ų59.55%0.05229%0.291CS..Hα-helixtrans-59.4-46175.5-67.1175.4000110.8Q224 E225 Q230 I231 A232 A306 L309 E310 M337Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 2.94Å; E225-L228 PolarHBondContact O-N 3.44Å; L228-Q230 PolarHBondContact O-N 2.91Å; L228-I231 PolarHBondContact O-N 3.18Å; L228-A232 WeakPolarHBondContact O-CB 3.45Å; L228-A232 PolarHBondContact O-N 2.85Å; L228-A306 HydrophobicContact CD2-CB 4.21Å; L228-L309 HydrophobicContact CD2-CB 3.54Å; L228-E310 HydrophobicContact CD1-CB 3.98Å; L228-E310 HydrophobicContact CD2-CB 4.44Å; L228-M337 HydrophobicContact CD1-CE 4.24Å; L228-M337 HydrophobicContact CD2-CE 3.42Å; L228-M337 VanDerWaalsContact CD2-CE 3.42Å; L228-M337 HydrophobicContact CG-CE 3.54Å
229Q96.6Very high96.6Very high76 Ų7659.8 Ų59.836%0.35529%0.287SS..Hα-helixtrans-57.1-48.8175.3-74.9174.316.200112.4E225 I227 I231 A232 F233 I297E225-Q229 WeakPolarHBondContact O-CG 3.46Å; E225-Q229 PolarHBondContact O-N 3.37Å; I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 3.43Å; Q229-I231 PolarHBondContact O-N 2.86Å; Q229-A232 PolarHBondContact O-N 3.02Å; Q229-F233 VanDerWaalsContact O-CB 3.26Å; Q229-F233 WeakPolarHBondContact O-CB 3.2Å; Q229-F233 PolarHBondContact O-N 3.35Å; Q229-I297 HydrophobicContact CB-CD1 4.12Å; Q229-I297 HydrophobicContact CG-CB 4.47Å; Q229-I297 HydrophobicContact CG-CD1 3.55Å; Q229-I297 HydrophobicContact CG-CG1 3.6Å
230Q97Very high96.6Very high74 Ų7456.6 Ų56.635%0.34628%0.276SS..Hα-helixtrans-59.7-45.3178.9177.871.9-11.600112.1L226 I227 L228 K234L226-Q230 WeakPolarHBondContact O-CB 3.49Å; L226-Q230 PolarHBondContact O-N 2.95Å; I227-Q230 PolarHBondContact O-N 2.78Å; L228-Q230 PolarHBondContact O-N 2.91Å; Q230-K234 WeakPolarHBondContact O-CB 3.46Å; Q230-K234 WeakPolarHBondContact O-CG 3.17Å; Q230-K234 PolarHBondContact O-N 2.77Å; Q230-K234 VanDerWaalsContact O-N 3.16Å
231I97.4Very high96.7Very high0 Ų062 Ų620%030%0.296CS..Hα-helixtrans-65.3-52.6178.9-69.9169.5000109.4I227 L228 Q229 F233 K234 N235 L309 A322 L325 V326 V334I227-I231 HydrophobicContact CG2-CD1 3.75Å; I227-I231 HydrophobicContact CG2-CG1 4.49Å; I227-I231 VanDerWaalsContact O-CG1 3.32Å; I227-I231 WeakPolarHBondContact O-CG1 3.31Å; I227-I231 PolarHBondContact O-N 2.88Å; L228-I231 PolarHBondContact O-N 3.18Å; Q229-I231 PolarHBondContact O-N 2.86Å; I231-F233 PolarHBondContact O-N 3.08Å; I231-K234 PolarHBondContact O-N 3.24Å; I231-N235 WeakPolarHBondContact O-CB 3.26Å; I231-N235 PolarHBondContact O-N 3.33Å; I231-L309 HydrophobicContact CD1-CD1 3.46Å; I231-L309 VanDerWaalsContact CD1-CD1 3.46Å; I231-A322 HydrophobicContact CD1-CB 4.06Å; I231-A322 HydrophobicContact CG2-CB 4.41Å; I231-L325 HydrophobicContact CG1-CB 4.4Å; I231-L325 HydrophobicContact CG2-CD1 4.03Å; I231-V326 HydrophobicContact CD1-CG1 3.88Å; I231-V326 HydrophobicContact CG1-CG1 3.63Å; I231-V334 HydrophobicContact CD1-CG2 4.09Å
232A97.5Very high96.8Very high0 Ų063.7 Ų63.70%030%0.295CS..Hα-helixtrans-58.9-46.6-177.200000112.5L228 Q229 N235 L236 I297 L300 M305 A306L228-A232 WeakPolarHBondContact O-CB 3.45Å; L228-A232 PolarHBondContact O-N 2.85Å; Q229-A232 PolarHBondContact O-N 3.02Å; A232-N235 PolarHBondContact O-N 3.38Å; A232-L236 WeakPolarHBondContact O-CB 3.17Å; A232-L236 PolarHBondContact O-N 2.88Å; A232-I297 HydrophobicContact CB-CD1 3.98Å; A232-L300 HydrophobicContact CB-CB 4.16Å; A232-L300 HydrophobicContact CB-CD2 4.15Å; A232-M305 WeakPolarHBondContact CA-O 3.49Å; A232-M305 HydrophobicContact CB-CB 3.99Å; A232-A306 HydrophobicContact CB-CB 4.34Å
233F97.8Very high96.8Very high108 Ų10860.4 Ų60.447%0.47429%0.289SS..Hα-helixtrans-63.1-50.2178.5-179.1-99.3000111.8Q229 I231 N235 L236 V237 L259Q229-F233 VanDerWaalsContact O-CB 3.26Å; Q229-F233 WeakPolarHBondContact O-CB 3.2Å; Q229-F233 PolarHBondContact O-N 3.35Å; I231-F233 PolarHBondContact O-N 3.08Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 3.28Å; F233-L236 PolarHBondContact O-N 3.49Å; F233-V237 HydrophobicContact CD1-CG2 4.35Å; F233-V237 HydrophobicContact CE1-CG2 3.97Å; F233-V237 HydrophobicContact CE2-CG2 4.36Å; F233-V237 HydrophobicContact CZ-CG2 3.98Å; F233-V237 WeakPolarHBondContact O-CG2 3.31Å; F233-V237 PolarHBondContact O-N 3.19Å; F233-L259 HydrophobicContact CD2-CD2 4.44Å
234K97.9Very high96.8Very high75 Ų7562 Ų6233%0.32630%0.295SS..Hα-helixtrans-65.1-38.1179.8-75.5-177.9168.2-177.80112.5Q230 I231 V237 Q238 L325Q230-K234 WeakPolarHBondContact O-CB 3.46Å; Q230-K234 WeakPolarHBondContact O-CG 3.17Å; Q230-K234 PolarHBondContact O-N 2.77Å; Q230-K234 VanDerWaalsContact O-N 3.16Å; I231-K234 PolarHBondContact O-N 3.24Å; K234-V237 PolarHBondContact O-N 3.26Å; K234-Q238 WeakPolarHBondContact O-CB 3.47Å; K234-Q238 WeakPolarHBondContact O-CG 3.38Å; K234-Q238 PolarHBondContact O-N 3.47Å; K234-L325 HydrophobicContact CB-CD2 3.96Å; K234-L325 HydrophobicContact CD-CB 4.38Å; K234-L325 WeakPolarHBondContact CD-O 3.07Å; K234-L325 PolarHBondContact NZ-O 2.8Å
235N97.6Very high96.8Very high26 Ų2666.7 Ų66.714%0.13932%0.317CS..Hα-helixtrans-63.4-46.2177.1-163.92.4000110.5I231 A232 F233 V237 Q238 R239 M305 L325I231-N235 WeakPolarHBondContact O-CB 3.26Å; I231-N235 PolarHBondContact O-N 3.33Å; A232-N235 PolarHBondContact O-N 3.38Å; F233-N235 VanDerWaalsContact C-N 3.33Å; F233-N235 PolarHBondContact O-N 3.28Å; N235-V237 PolarHBondContact O-N 2.76Å; N235-Q238 PolarHBondContact O-N 2.84Å; N235-R239 WeakPolarHBondContact O-CB 3.28Å; N235-R239 PolarHBondContact O-N 3.22Å; N235-M305 WeakPolarHBondContact CB-O 3.31Å; N235-M305 PolarHBondContact ND2-O 2.95Å; N235-L325 HydrophobicContact CB-CD1 3.82Å
236L97.9Very high96.8Very high15 Ų1570.5 Ų70.58%0.07934%0.335CS..Hα-helixtrans-56.7-48.2174.2177.963.9000111.9A232 F233 Q238 R239 N240 L259 L300 M305A232-L236 WeakPolarHBondContact O-CB 3.17Å; A232-L236 PolarHBondContact O-N 2.88Å; F233-L236 PolarHBondContact O-N 3.49Å; L236-Q238 PolarHBondContact O-N 2.76Å; L236-R239 PolarHBondContact O-N 3.32Å; L236-N240 WeakPolarHBondContact O-CB 3.48Å; L236-N240 VanDerWaalsContact O-CG 3.23Å; L236-N240 PolarHBondContact O-N 3.5Å; L236-N240 PolarHBondContact O-OD1 3.29Å; L236-L259 HydrophobicContact CD2-CD1 3.91Å; L236-L300 HydrophobicContact CB-CD2 4.42Å; L236-L300 HydrophobicContact CD2-CD1 4.08Å; L236-L300 HydrophobicContact CD2-CD2 3.88Å; L236-L300 HydrophobicContact CD2-CG 4.11Å; L236-M305 HydrophobicContact CB-CG 4.42Å; L236-M305 HydrophobicContact CB-SD 4.18Å; L236-M305 HydrophobicContact CD1-SD 4.3Å
237V97.6Very high96.7Very high59 Ų5969 Ų6936%0.35834%0.336SS..Hα-helixtrans-62.3-43179.2171.90000111.4F233 K234 N235 R241F233-V237 HydrophobicContact CD1-CG2 4.35Å; F233-V237 HydrophobicContact CE1-CG2 3.97Å; F233-V237 HydrophobicContact CE2-CG2 4.36Å; F233-V237 HydrophobicContact CZ-CG2 3.98Å; F233-V237 WeakPolarHBondContact O-CG2 3.31Å; F233-V237 PolarHBondContact O-N 3.19Å; K234-V237 PolarHBondContact O-N 3.26Å; N235-V237 PolarHBondContact O-N 2.76Å; V237-R241 WeakPolarHBondContact O-CB 3.49Å; V237-R241 PolarHBondContact O-N 2.93Å
238Q96.7Very high96.4Very high94 Ų9474.3 Ų74.344%0.43937%0.374SS..Hα-helixtrans-64.9-45.5177.3-76.5-176.3-3.800112K234 N235 L236 R241 H242K234-Q238 WeakPolarHBondContact O-CB 3.47Å; K234-Q238 WeakPolarHBondContact O-CG 3.38Å; K234-Q238 PolarHBondContact O-N 3.47Å; N235-Q238 PolarHBondContact O-N 2.84Å; L236-Q238 PolarHBondContact O-N 2.76Å; Q238-R241 PolarHBondContact O-N 2.74Å; Q238-H242 WeakPolarHBondContact O-CB 3.29Å; Q238-H242 PolarHBondContact O-N 2.95Å
239R97.1Very high96.1Very high108 Ų10882.7 Ų82.741%0.40841%0.405SS..Hα-helixtrans-58.9-49.2176.9-174-167.773.2159.22.6111.6N235 L236 H242 A243 M305N235-R239 WeakPolarHBondContact O-CB 3.28Å; N235-R239 PolarHBondContact O-N 3.22Å; L236-R239 PolarHBondContact O-N 3.32Å; R239-H242 PolarHBondContact O-N 3.2Å; R239-A243 WeakPolarHBondContact O-CB 3.45Å; R239-A243 PolarHBondContact O-N 3.47Å; R239-M305 VanDerWaalsContact NH1-CE 3.26Å
240N96.9Very high95.9Very high62 Ų6283.2 Ų83.233%0.33242%0.415SS..Hα-helixtrans-66.8-41.7-178.9-67.70.1000111.1L236 H242 A243 E244L236-N240 WeakPolarHBondContact O-CB 3.48Å; L236-N240 VanDerWaalsContact O-CG 3.23Å; L236-N240 PolarHBondContact O-N 3.5Å; L236-N240 PolarHBondContact O-OD1 3.29Å; N240-H242 VanDerWaalsContact C-N 3.32Å; N240-H242 PolarHBondContact O-N 3.18Å; N240-A243 PolarHBondContact O-N 3.07Å; N240-E244 WeakPolarHBondContact O-CG 3.5Å; N240-E244 PolarHBondContact O-N 3.36Å
241R96.2Very high95.8Very high151 Ų15182.5 Ų82.557%0.5742%0.417SS*.Hα-helixtrans-56.7-45.4174.1177.6-179.8-68.1-179.5-1111.8V237 Q238 Q245V237-R241 WeakPolarHBondContact O-CB 3.49Å; V237-R241 PolarHBondContact O-N 2.93Å; Q238-R241 PolarHBondContact O-N 2.74Å; R241-Q245 WeakPolarHBondContact O-CB 3.42Å; R241-Q245 WeakPolarHBondContact O-CG 3.28Å; R241-Q245 PolarHBondContact O-N 3.08Å
242H95.9Very high95.7Very high104 Ų10485.7 Ų85.748%0.48144%0.437SS..Hα-helixtrans-65.7-42.4177.8178-103000111.9Q238 R239 N240 E244 Q245 Q246Q238-H242 WeakPolarHBondContact O-CB 3.29Å; Q238-H242 PolarHBondContact O-N 2.95Å; R239-H242 PolarHBondContact O-N 3.2Å; N240-H242 VanDerWaalsContact C-N 3.32Å; N240-H242 PolarHBondContact O-N 3.18Å; H242-E244 PolarHBondContact O-N 2.94Å; H242-Q245 PolarHBondContact O-N 2.95Å; H242-Q246 VanDerWaalsContact CE1-CD 3.48Å; H242-Q246 PolarHBondContact CE1-NE2 2.91Å; H242-Q246 PolarHBondContact NE2-NE2 3.29Å; H242-Q246 WeakPolarHBondContact O-CG 3.38Å; H242-Q246 PolarHBondContact O-N 2.54Å
243A95.8Very high95.5Very high51 Ų5191.6 Ų91.642%0.42148%0.476SS..Hα-helixtrans-62.6-41.7176.700000112.7R239 N240 Q246 A247R239-A243 WeakPolarHBondContact O-CB 3.45Å; R239-A243 PolarHBondContact O-N 3.47Å; N240-A243 PolarHBondContact O-N 3.07Å; A243-Q246 PolarHBondContact O-N 2.94Å; A243-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 PolarHBondContact O-N 3.41Å
244E95.9Very high95.4Very high88 Ų8893.7 Ų93.741%0.41149%0.492SS..Hα-helixtrans-65.4-39.2175.7-73.7176.2-167.300112.3N240 H242 A247 S248N240-E244 WeakPolarHBondContact O-CG 3.5Å; N240-E244 PolarHBondContact O-N 3.36Å; H242-E244 PolarHBondContact O-N 2.94Å; E244-A247 PolarHBondContact O-N 3.49Å; E244-S248 WeakPolarHBondContact O-CA 3.46Å; E244-S248 PolarHBondContact O-N 3.48Å
245Q94.9Very high95.3Very high132 Ų13293.8 Ų93.862%0.61750%0.502SS*.Hα-helixtrans-63.6-40174.9-74.4170.7700112R241 H242 S248R241-Q245 WeakPolarHBondContact O-CB 3.42Å; R241-Q245 WeakPolarHBondContact O-CG 3.28Å; R241-Q245 PolarHBondContact O-N 3.08Å; H242-Q245 PolarHBondContact O-N 2.95Å; Q245-S248 PolarHBondContact O-N 3.16Å
246Q95.5Very high95.3Very high142 Ų14295 Ų9566%0.66451%0.51SS*.Hα-helixtrans-69-39.6176.8-72-174.3-15.300112.8H242 A243 S248H242-Q246 VanDerWaalsContact CE1-CD 3.48Å; H242-Q246 PolarHBondContact CE1-NE2 2.91Å; H242-Q246 PolarHBondContact NE2-NE2 3.29Å; H242-Q246 WeakPolarHBondContact O-CG 3.38Å; H242-Q246 PolarHBondContact O-N 2.54Å; A243-Q246 PolarHBondContact O-N 2.94Å; Q246-S248 VanDerWaalsContact C-N 3.3Å
247A94.4Very high95.2Very high69 Ų6999.8 Ų99.857%0.5754%0.535SS*.Hα-helixtrans-78.5-14.3178.200000113.3A243 E244 R249A243-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 PolarHBondContact O-N 3.41Å; E244-A247 PolarHBondContact O-N 3.49Å; A247-R249 PolarHBondContact O-N 3.31Å
248S91.1Very high95.1Very high116 Ų116104.2 Ų104.281%0.81155%0.551SS**THydrogen-bonded Turntrans54.715.9-173.1-152.80000114.1E244 Q245 Q246E244-S248 WeakPolarHBondContact O-CA 3.46Å; E244-S248 PolarHBondContact O-N 3.48Å; Q245-S248 PolarHBondContact O-N 3.16Å; Q246-S248 VanDerWaalsContact C-N 3.3Å
249R90.5Very high95.1Very high186 Ų186102.7 Ų102.770%0.70255%0.546SS*.SBendtrans-153.6137.8-178-169.6-175.2170.8169-0.3109.9A247A247-R249 PolarHBondContact O-N 3.31Å
250P91.8Very high95.1Very high87 Ų87102 Ų10257%0.56556%0.555SS**PPolyproline II helixtrans-60.4146.6168.9-22.533.5000111.9
251P95Very high95.1Very high60 Ų60100.9 Ų100.939%0.3955%0.548SS..PPolyproline II helixtrans-58.6151.2174.125.4-36.2000112.2V256P251-V256 HydrophobicContact CB-CG2 3.64Å; P251-V256 HydrophobicContact CG-CG2 3.41Å; P251-V256 VanDerWaalsContact CG-CG2 3.41Å
252P95.2Very high95.1Very high66 Ų6696.3 Ų96.343%0.42953%0.534SS..PPolyproline II helixtrans-55.3141.1173.6-26.234.3000112.8N254 S255P252-N254 WeakPolarHBondContact CB-OD1 3.29Å; P252-N254 PolarHBondContact O-N 3.47Å; P252-N254 VanDerWaalsContact O-N 3.1Å; P252-S255 WeakPolarHBondContact CD-OG 3.44Å; P252-S255 PolarHBondContact O-N 3.16Å; P252-S255 PolarHBondContact O-OG 2.91Å
253P94.7Very high95.1Very high124 Ų12494.1 Ų94.181%0.80553%0.525SS*.G310 helixtrans-57-31.9-175.1-26.334.2000114.8S255P253-S255 VanDerWaalsContact C-N 3.3Å; P253-S255 PolarHBondContact O-N 2.9Å
254N95.3Very high95.1Very high152 Ų15294.3 Ų94.381%0.81352%0.521SS*.G310 helixtrans-81.3-4.7-179.963.7-32.1000114.4P252P252-N254 WeakPolarHBondContact CB-OD1 3.29Å; P252-N254 PolarHBondContact O-N 3.47Å; P252-N254 VanDerWaalsContact O-N 3.1Å
255S95.8Very high95.1Very high78 Ų7893 Ų9355%0.54552%0.517SS..G310 helixtrans-102.65.2176.8650000113.6P252 P253P252-S255 WeakPolarHBondContact CD-OG 3.44Å; P252-S255 PolarHBondContact O-N 3.16Å; P252-S255 PolarHBondContact O-OG 2.91Å; P253-S255 VanDerWaalsContact C-N 3.3Å; P253-S255 PolarHBondContact O-N 2.9Å
256V96.2Very high95.1Very high51 Ų5188.8 Ų88.831%0.30950%0.5SS..  trans-128.5140.1-173.2-176.50000110.5P251P251-V256 HydrophobicContact CB-CG2 3.64Å; P251-V256 HydrophobicContact CG-CG2 3.41Å; P251-V256 VanDerWaalsContact CG-CG2 3.41Å
257I96.9Very high95.2Very high116 Ų11684.9 Ų84.960%0.59549%0.488SS*.  trans-118.2119.3170.1-56175.3000106.8F261I257-F261 HydrophobicContact CG2-CB 4.08Å; I257-F261 HydrophobicContact CG2-CD1 3.63Å; I257-F261 HydrophobicContact CG2-CD2 4.4Å; I257-F261 HydrophobicContact CG2-CE1 4.14Å; I257-F261 HydrophobicContact CG2-CG 3.78Å
258H96.1Very high95.3Very high151 Ų15192 Ų9270%0.69951%0.507SS*.PPolyproline II helixtrans-86.2148.7177.5-69.9-76.2000110.9F261H258-F261 WeakPolarHBondContact O-CD1 3.47Å
259L96.5Very high95.6Very high63 Ų6395.4 Ų95.433%0.3351%0.507SS..SBendtrans-75150.6170.2-73.376.6000110.1F233 L236 F261 D296 L300F233-L259 HydrophobicContact CD2-CD2 4.44Å; L236-L259 HydrophobicContact CD2-CD1 3.91Å; L259-F261 HydrophobicContact CD1-CD1 4.45Å; L259-F261 HydrophobicContact CD1-CE1 3.92Å; L259-F261 HydrophobicContact CG-CD1 4.23Å; L259-F261 HydrophobicContact CG-CE1 4.01Å; L259-D296 HydrophobicContact CD2-CB 4.3Å; L259-D296 HydrophobicContact CG-CB 4.16Å; L259-D296 WeakPolarHBondContact CG-OD2 3.35Å; L259-L300 HydrophobicContact CD2-CD1 4.45Å; L259-L300 HydrophobicContact CD2-CD2 4.23Å
260P96.2Very high95.8Very high93 Ų9387.3 Ų87.360%0.60448%0.478SS*.SBendcis-81.3146.2-3.732.4-33.9000113.1D296P260-D296 VanDerWaalsContact CA-OD2 3.26Å; P260-D296 WeakPolarHBondContact CA-OD2 3.46Å
261F96.2Very high96.1Very high38 Ų3887.1 Ų87.117%0.16748%0.475CS..  trans-147.2162.5174.265.7-96.7000112I257 H258 L259 I263 D296 V299I257-F261 HydrophobicContact CG2-CB 4.08Å; I257-F261 HydrophobicContact CG2-CD1 3.63Å; I257-F261 HydrophobicContact CG2-CD2 4.4Å; I257-F261 HydrophobicContact CG2-CE1 4.14Å; I257-F261 HydrophobicContact CG2-CG 3.78Å; H258-F261 WeakPolarHBondContact O-CD1 3.47Å; L259-F261 HydrophobicContact CD1-CD1 4.45Å; L259-F261 HydrophobicContact CD1-CE1 3.92Å; L259-F261 HydrophobicContact CG-CD1 4.23Å; L259-F261 HydrophobicContact CG-CE1 4.01Å; F261-I263 HydrophobicContact CD2-CD1 3.84Å; F261-I263 HydrophobicContact CD2-CG1 3.82Å; F261-I263 HydrophobicContact CE2-CD1 3.88Å; F261-I263 HydrophobicContact CE2-CG1 3.62Å; F261-D296 HydrophobicContact CD1-CB 3.95Å; F261-D296 HydrophobicContact CD2-CB 4.08Å; F261-D296 HydrophobicContact CE1-CB 3.8Å; F261-D296 HydrophobicContact CE2-CB 3.9Å; F261-D296 HydrophobicContact CG-CB 4.09Å; F261-D296 HydrophobicContact CZ-CB 3.76Å; F261-D296 PolarHBondContact N-OD2 3.14Å; F261-D296 WeakPolarHBondContact O-CB 3.45Å; F261-D296 PolarHBondContact O-N 3.23Å; F261-V299 HydrophobicContact CE2-CB 4.42Å; F261-V299 HydrophobicContact CE2-CG2 4.25Å; F261-V299 HydrophobicContact CZ-CG1 4.41Å
262I96.6Very high96Very high56 Ų5688.1 Ų88.129%0.28748%0.476SS..EExtended strand (participates in β ladder)trans-117.8151.5165.260.3156.5000109.6L14 V16 L31 I293L14-I262 HydrophobicContact CD2-CD1 3.32Å; L14-I262 HydrophobicContact CD2-CG1 3.77Å; L14-I262 HydrophobicContact CD2-CG2 4.4Å; V16-I262 HydrophobicContact CG2-CD1 4.48Å; L31-I262 HydrophobicContact CD1-CD1 4.42Å; L31-I262 HydrophobicContact CD2-CD1 4.3Å; I262-I293 HydrophobicContact CD1-CG2 4.38Å
263I95.8Very high96Very high57 Ų5789.8 Ų89.829%0.29248%0.482SS..EExtended strand (participates in β ladder)trans-114129.4174.1-63.3-62.5000109.2F261 I293 H294 V299F261-I263 HydrophobicContact CD2-CD1 3.84Å; F261-I263 HydrophobicContact CD2-CG1 3.82Å; F261-I263 HydrophobicContact CE2-CD1 3.88Å; F261-I263 HydrophobicContact CE2-CG1 3.62Å; I263-I293 CarbonylContact O-C 3.51Å; I263-I293 WeakPolarHBondContact O-CA 3.37Å; I263-H294 PolarHBondContact N-O 3.25Å; I263-H294 PolarHBondContact O-N 2.95Å; I263-V299 HydrophobicContact CB-CG2 4.45Å; I263-V299 HydrophobicContact CG1-CG2 3.96Å
264V96.2Very high96Very high55 Ų5586.8 Ų86.833%0.33346%0.463SS..EExtended strand (participates in β ladder)trans-106.9116.9166.4-173.50000107.9F287 F291 E292 I293V264-F287 HydrophobicContact CG1-CE1 4.25Å; V264-F287 HydrophobicContact CG1-CZ 3.92Å; V264-F291 HydrophobicContact CG1-CB 4.13Å; V264-F291 HydrophobicContact CG1-CD2 4.06Å; V264-F291 HydrophobicContact CG1-CG 4.32Å; V264-E292 WeakPolarHBondContact CA-O 3.31Å; V264-I293 HydrophobicContact CG2-CG1 4.28Å
265N95.8Very high96Very high60 Ų6082.9 Ų82.932%0.32145%0.447SS..EExtended strand (participates in β ladder)trans-112.4144.1174.765.4-52.3000110.6F291 E292 H294N265-F291 CarbonylContact O-C 3.32Å; N265-F291 VanDerWaalsContact O-CA 3.24Å; N265-F291 WeakPolarHBondContact O-CA 3.37Å; N265-F291 WeakPolarHBondContact O-CB 3.35Å; N265-E292 PolarHBondContact N-O 3.47Å; N265-E292 PolarHBondContact ND2-OE2 3.31Å; N265-E292 PolarHBondContact O-N 3.02Å; N265-E292 WeakPolarHBondContact OD1-CB 3.36Å; N265-E292 PolarHBondContact OD1-O 3.42Å; N265-E292 VanDerWaalsContact OD1-O 3.11Å; N265-H294 PolarHBondContact OD1-CD2 3.31Å; N265-H294 PolarHBondContact OD1-NE2 3.38Å
266T96.1Very high96Very high45 Ų4583.4 Ų83.428%0.27644%0.443SS..EExtended strand (participates in β ladder)trans-146.7175.6173.8-173.70000109.1T270 I272 F287 T290T266-T270 HydrophobicContact CG2-CG2 3.97Å; T266-T270 WeakPolarHBondContact OG1-CB 3.48Å; T266-T270 WeakPolarHBondContact OG1-CG2 3Å; T266-T270 PolarHBondContact OG1-OG1 2.67Å; T266-I272 HydrophobicContact CG2-CD1 3.9Å; T266-F287 HydrophobicContact CG2-CD1 4.33Å; T266-F287 HydrophobicContact CG2-CE1 4.39Å; T266-T290 PolarHBondContact OG1-O 2.97Å
267S97.1Very high95.9Very high59 Ų5982.5 Ų82.541%0.41344%0.439SS..  trans-61145.1174.5178.20000111K269 T270S267-K269 PolarHBondContact O-N 3.39Å; S267-K269 PolarHBondContact OG-N 3.06Å; S267-T270 WeakPolarHBondContact CB-OG1 3.5Å; S267-T270 PolarHBondContact N-OG1 3.02Å; S267-T270 VanDerWaalsContact O-CB 3.32Å; S267-T270 WeakPolarHBondContact O-CB 2.89Å; S267-T270 PolarHBondContact O-N 2.83Å; S267-T270 PolarHBondContact O-OG1 3.48Å; S267-T270 VanDerWaalsContact O-OG1 3.05Å
268K97.2Very high95.9Very high219 Ų21985.5 Ų85.595%0.95246%0.456SS*.THydrogen-bonded Turntrans-60.8-13.8174-65-175179-178.30113.7
269K96.8Very high95.8Very high187 Ų18783 Ų8381%0.81345%0.448SS*.THydrogen-bonded Turntrans-94.8-8179.4-60.4-177.7-179.5179.10113.1S267S267-K269 PolarHBondContact O-N 3.39Å; S267-K269 PolarHBondContact OG-N 3.06Å
270T95.3Very high95.7Very high17 Ų1786.4 Ų86.410%0.10446%0.46CS..  trans-69.3130.4-178-54.40000110.1T266 S267 I272 F287 D288 N289T266-T270 HydrophobicContact CG2-CG2 3.97Å; T266-T270 WeakPolarHBondContact OG1-CB 3.48Å; T266-T270 WeakPolarHBondContact OG1-CG2 3Å; T266-T270 PolarHBondContact OG1-OG1 2.67Å; S267-T270 WeakPolarHBondContact CB-OG1 3.5Å; S267-T270 PolarHBondContact N-OG1 3.02Å; S267-T270 VanDerWaalsContact O-CB 3.32Å; S267-T270 WeakPolarHBondContact O-CB 2.89Å; S267-T270 PolarHBondContact O-N 2.83Å; S267-T270 PolarHBondContact O-OG1 3.48Å; S267-T270 VanDerWaalsContact O-OG1 3.05Å; T270-I272 HydrophobicContact CG2-CG1 4.15Å; T270-F287 HydrophobicContact CG2-CB 4.22Å; T270-F287 HydrophobicContact CG2-CD1 4.16Å; T270-D288 VanDerWaalsContact CA-OD1 3.29Å; T270-D288 WeakPolarHBondContact CA-OD1 3.46Å; T270-D288 VanDerWaalsContact CG2-OD1 3.28Å; T270-D288 WeakPolarHBondContact CG2-OD1 3.2Å; T270-N289 HydrophobicContact CG2-CB 3.72Å; T270-N289 WeakPolarHBondContact OG1-CB 3.45Å
271V96.1Very high95.6Very high83 Ų8385.5 Ų85.550%0.50345%0.447SS..  trans-83.5129.5168.8-177.40000108.4D288V271-D288 HydrophobicContact CB-CB 4.34Å; V271-D288 WeakPolarHBondContact CG2-OD2 3.5Å; V271-D288 PolarHBondContact N-OD1 3.41Å; V271-D288 PolarHBondContact O-N 3.49Å; V271-D288 VanDerWaalsContact O-N 3.15Å
272I94.9Very high95.4Very high80 Ų8088.7 Ų88.741%0.4146%0.463SS..EExtended strand (participates in β ladder)trans-124.1117.9-177.5-50.7172.3000108.4T266 T270 F285 N286 F287T266-I272 HydrophobicContact CG2-CD1 3.9Å; T270-I272 HydrophobicContact CG2-CG1 4.15Å; I272-F285 HydrophobicContact CG2-CD1 4.1Å; I272-N286 WeakPolarHBondContact CA-O 3.18Å; I272-F287 HydrophobicContact CD1-CD1 4.13Å; I272-F287 HydrophobicContact CD1-CE1 3.83Å; I272-F287 HydrophobicContact CG1-CD1 3.8Å; I272-F287 HydrophobicContact CG1-CE1 3.96Å; I272-F287 HydrophobicContact CG2-CD1 4.27Å; I272-F287 HydrophobicContact CG2-CE1 4.01Å; I272-F287 HydrophobicContact CG2-CZ 4.36Å
273D95.1Very high95.2Very high101 Ų10189.1 Ų89.154%0.5446%0.461SS..EExtended strand (participates in β ladder)trans-100.4131169.9-61-49.4000109.1F285 N286D273-F285 CarbonylContact O-C 3.3Å; D273-F285 WeakPolarHBondContact O-CA 3.34Å; D273-N286 HydrophobicContact CB-CB 4.26Å; D273-N286 PolarHBondContact N-O 3.07Å; D273-N286 PolarHBondContact O-N 2.78Å
274C94.1Very high95.2Very high61 Ų6189.3 Ų89.341%0.41246%0.462SS..EExtended strand (participates in β ladder)trans-121.7127.2-178-1790000110.5I276 L284 F285C274-I276 WeakPolarHBondContact SG-CG1 3.38Å; C274-L284 CarbonylContact C-O 3.52Å; C274-L284 WeakPolarHBondContact CA-O 3.44Å; C274-F285 HydrophobicContact CB-CD1 3.91Å; C274-F285 HydrophobicContact CB-CE1 3.94Å; C274-F285 WeakPolarHBondContact SG-CE1 3.34Å
275S94.5Very high95.1Very high70 Ų7089.1 Ų89.149%0.4946%0.457SS..EExtended strand (participates in β ladder)trans-113.9130.6169.3-56.70000108.9Y283 L284S275-Y283 WeakPolarHBondContact O-CA 3.21Å; S275-L284 PolarHBondContact N-O 2.85Å; S275-L284 PolarHBondContact O-N 3.34Å
276I95.3Very high95Very high90 Ų9089 Ų8946%0.46246%0.456SS..EExtended strand (participates in β ladder)trans-126.7130.9-174.1-48.2173.5000107.8C274 K280 Y283C274-I276 WeakPolarHBondContact SG-CG1 3.38Å; I276-K280 HydrophobicContact CG2-CB 4.46Å; I276-K280 HydrophobicContact CG2-CG 4.14Å; I276-Y283 HydrophobicContact CB-CD1 4.26Å; I276-Y283 HydrophobicContact CB-CE1 4.26Å; I276-Y283 HydrophobicContact CD1-CD1 4.02Å; I276-Y283 HydrophobicContact CD1-CE1 3.72Å; I276-Y283 HydrophobicContact CG1-CD1 3.65Å; I276-Y283 HydrophobicContact CG1-CE1 3.79Å; I276-Y283 HydrophobicContact CG2-CD1 3.8Å; I276-Y283 HydrophobicContact CG2-CE1 3.47Å; I276-Y283 VanDerWaalsContact CG2-CE1 3.47Å; I276-Y283 HydrophobicContact CG2-CE2 4.25Å; I276-Y283 HydrophobicContact CG2-CG 4.3Å
277S95.2Very high94.9Very high32 Ų3287.4 Ų87.422%0.22445%0.446CS..  trans-63.4155172.464.60000111.4D279 K280 F281 E282S277-D279 VanDerWaalsContact CB-OD1 3.22Å; S277-D279 WeakPolarHBondContact CB-OD1 3.33Å; S277-D279 PolarHBondContact O-N 3.48Å; S277-D279 PolarHBondContact OG-OD1 2.99Å; S277-K280 PolarHBondContact O-N 2.65Å; S277-K280 PolarHBondContact OG-N 3.3Å; S277-F281 PolarHBondContact OG-N 2.99Å; S277-E282 PolarHBondContact N-O 2.82Å; S277-E282 PolarHBondContact OG-N 2.97Å; S277-E282 PolarHBondContact OG-O 2.87Å
278N96.1Very high94.8Very high178 Ų17888.1 Ų88.195%0.95245%0.445SS*.THydrogen-bonded Turntrans-59.2-33.5-178.4-70.4-39.1000113K280N278-K280 VanDerWaalsContact C-N 3.33Å
279D95.1Very high94.5Very high98 Ų9880.7 Ų80.752%0.52442%0.415SS..THydrogen-bonded Turntrans-85.8-5.1178.961.16000113.4S277 F281S277-D279 VanDerWaalsContact CB-OD1 3.22Å; S277-D279 WeakPolarHBondContact CB-OD1 3.33Å; S277-D279 PolarHBondContact O-N 3.48Å; S277-D279 PolarHBondContact OG-OD1 2.99Å; D279-F281 HydrophobicContact CB-CD2 3.64Å; D279-F281 HydrophobicContact CB-CE2 4.13Å; D279-F281 VanDerWaalsContact CG-CD2 3.42Å; D279-F281 PolarHBondContact O-N 3.49Å; D279-F281 PolarHBondContact OD1-N 2.81Å; D279-F281 VanDerWaalsContact OD1-N 3.08Å; D279-F281 WeakPolarHBondContact OD2-CD2 3.45Å
280K93.9Very high94.4Very high136 Ų13676.6 Ų76.659%0.59141%0.406SS*.SBendtrans58.628.3-177.4-58.3-177.8-178.9-178.20113.8I276 S277 N278 Y283I276-K280 HydrophobicContact CG2-CB 4.46Å; I276-K280 HydrophobicContact CG2-CG 4.14Å; S277-K280 PolarHBondContact O-N 2.65Å; S277-K280 PolarHBondContact OG-N 3.3Å; N278-K280 VanDerWaalsContact C-N 3.33Å; K280-Y283 HydrophobicContact CB-CE2 4.33Å; K280-Y283 WeakPolarHBondContact CB-OH 3.27Å; K280-Y283 WeakPolarHBondContact O-CE2 3.25Å
281F93.1Very high94.4Very high73 Ų7377.3 Ų77.332%0.3241%0.408SS..SBendtrans-91.9-19.4171.5-73-67.8000113.1V32 A33 H35 S277 D279V32-F281 CarbonylContact C-O 3.57Å; V32-F281 WeakPolarHBondContact CA-O 3.36Å; A33-F281 HydrophobicContact CB-CD1 4.19Å; A33-F281 PolarHBondContact N-O 3.23Å; A33-F281 WeakPolarHBondContact O-CD1 3.4Å; H35-F281 HydrophobicContact CB-CE1 3.6Å; H35-F281 HydrophobicContact CB-CZ 3.75Å; H35-F281 AromaticContact CD2-CE1 3.9Å; H35-F281 AromaticContact CD2-CZ 3.66Å; H35-F281 AromaticContact CG-CZ 3.95Å; S277-F281 PolarHBondContact OG-N 2.99Å; D279-F281 HydrophobicContact CB-CD2 3.64Å; D279-F281 HydrophobicContact CB-CE2 4.13Å; D279-F281 VanDerWaalsContact CG-CD2 3.42Å; D279-F281 PolarHBondContact O-N 3.49Å; D279-F281 PolarHBondContact OD1-N 2.81Å; D279-F281 VanDerWaalsContact OD1-N 3.08Å; D279-F281 WeakPolarHBondContact OD2-CD2 3.45Å
282E92.6Very high94.4Very high106 Ų10678.5 Ų78.550%0.49541%0.408SS..EExtended strand (participates in β ladder)trans-125.2129.3178.8-170.3175.3-166.500110.4V32 S277V32-E282 HydrophobicContact CG2-CG 4.45Å; S277-E282 PolarHBondContact N-O 2.82Å; S277-E282 PolarHBondContact OG-N 2.97Å; S277-E282 PolarHBondContact OG-O 2.87Å
283Y93.5Very high94.4Very high65 Ų6577.3 Ų77.326%0.25540%0.402SS..EExtended strand (participates in β ladder)trans-126.9131.9175-66.2-109000109.3S30 L31 S275 I276 K280 F285S30-Y283 WeakPolarHBondContact CA-O 3.44Å; L31-Y283 PolarHBondContact N-O 3.4Å; L31-Y283 PolarHBondContact O-N 3.26Å; S275-Y283 WeakPolarHBondContact O-CA 3.21Å; I276-Y283 HydrophobicContact CB-CD1 4.26Å; I276-Y283 HydrophobicContact CB-CE1 4.26Å; I276-Y283 HydrophobicContact CD1-CD1 4.02Å; I276-Y283 HydrophobicContact CD1-CE1 3.72Å; I276-Y283 HydrophobicContact CG1-CD1 3.65Å; I276-Y283 HydrophobicContact CG1-CE1 3.79Å; I276-Y283 HydrophobicContact CG2-CD1 3.8Å; I276-Y283 HydrophobicContact CG2-CE1 3.47Å; I276-Y283 VanDerWaalsContact CG2-CE1 3.47Å; I276-Y283 HydrophobicContact CG2-CE2 4.25Å; I276-Y283 HydrophobicContact CG2-CG 4.3Å; K280-Y283 HydrophobicContact CB-CE2 4.33Å; K280-Y283 WeakPolarHBondContact CB-OH 3.27Å; K280-Y283 WeakPolarHBondContact O-CE2 3.25Å; Y283-F285 HydrophobicContact CD1-CE2 4.14Å; Y283-F285 AromaticContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CG-CE2 4.18Å; Y283-F285 HydrophobicContact CG-CZ 4.47Å
284L94.2Very high94.4Very high60 Ų6073.5 Ų73.531%0.31438%0.381SS..EExtended strand (participates in β ladder)trans-118.2118.2173.4-175.869.6000109.1V28 C274 S275V28-L284 HydrophobicContact CG1-CD1 3.48Å; V28-L284 VanDerWaalsContact CG1-CD1 3.48Å; V28-L284 HydrophobicContact CG1-CG 4.41Å; C274-L284 CarbonylContact C-O 3.52Å; C274-L284 WeakPolarHBondContact CA-O 3.44Å; S275-L284 PolarHBondContact N-O 2.85Å; S275-L284 PolarHBondContact O-N 3.34Å
285F94.8Very high94.5Very high51 Ų5174.7 Ų74.722%0.22438%0.383CS..EExtended strand (participates in β ladder)trans-111.4122.2176.3-62.1-91.3000110V28 V29 L31 I272 D273 C274 Y283 F287V28-F285 WeakPolarHBondContact CA-O 3.22Å; V29-F285 HydrophobicContact CB-CB 4.45Å; V29-F285 PolarHBondContact N-O 2.98Å; V29-F285 PolarHBondContact O-N 3.15Å; L31-F285 HydrophobicContact CD1-CD2 4.38Å; L31-F285 HydrophobicContact CD1-CE2 3.91Å; L31-F285 HydrophobicContact CG-CE2 4.5Å; I272-F285 HydrophobicContact CG2-CD1 4.1Å; D273-F285 CarbonylContact O-C 3.3Å; D273-F285 WeakPolarHBondContact O-CA 3.34Å; C274-F285 HydrophobicContact CB-CD1 3.91Å; C274-F285 HydrophobicContact CB-CE1 3.94Å; C274-F285 WeakPolarHBondContact SG-CE1 3.34Å; Y283-F285 HydrophobicContact CD1-CE2 4.14Å; Y283-F285 AromaticContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CD1-CZ 3.97Å; Y283-F285 HydrophobicContact CG-CE2 4.18Å; Y283-F285 HydrophobicContact CG-CZ 4.47Å; F285-F287 HydrophobicContact CB-CD2 4.24Å; F285-F287 HydrophobicContact CB-CE2 3.4Å; F285-F287 HydrophobicContact CB-CZ 3.77Å; F285-F287 HydrophobicContact CG-CE2 4.43Å; F285-F287 HydrophobicContact CG-CZ 4.41Å
286N93.8Very high94.5Very high57 Ų5772.4 Ų72.431%0.30537%0.365SS..EExtended strand (participates in β ladder)trans-101.2126.3170.8-60.9-42.8000109.1I272 D273I272-N286 WeakPolarHBondContact CA-O 3.18Å; D273-N286 HydrophobicContact CB-CB 4.26Å; D273-N286 PolarHBondContact N-O 3.07Å; D273-N286 PolarHBondContact O-N 2.78Å
287F95Very high94.5Very high13 Ų1369 Ų696%0.05735%0.348CS..EExtended strand (participates in β ladder)trans-112.4131.4177.3-58.5-98.9000109.5K26 G27 V29 V264 T266 T270 I272 F285 N289 F291K26-F287 WeakPolarHBondContact CA-O 3.26Å; G27-F287 PolarHBondContact N-O 2.88Å; G27-F287 VanDerWaalsContact N-O 3.14Å; G27-F287 PolarHBondContact O-N 3Å; V29-F287 HydrophobicContact CB-CE2 4.1Å; V29-F287 HydrophobicContact CG2-CD2 4.27Å; V29-F287 HydrophobicContact CG2-CE2 3.69Å; V264-F287 HydrophobicContact CG1-CE1 4.25Å; V264-F287 HydrophobicContact CG1-CZ 3.92Å; T266-F287 HydrophobicContact CG2-CD1 4.33Å; T266-F287 HydrophobicContact CG2-CE1 4.39Å; T270-F287 HydrophobicContact CG2-CB 4.22Å; T270-F287 HydrophobicContact CG2-CD1 4.16Å; I272-F287 HydrophobicContact CD1-CD1 4.13Å; I272-F287 HydrophobicContact CD1-CE1 3.83Å; I272-F287 HydrophobicContact CG1-CD1 3.8Å; I272-F287 HydrophobicContact CG1-CE1 3.96Å; I272-F287 HydrophobicContact CG2-CD1 4.27Å; I272-F287 HydrophobicContact CG2-CE1 4.01Å; I272-F287 HydrophobicContact CG2-CZ 4.36Å; F285-F287 HydrophobicContact CB-CD2 4.24Å; F285-F287 HydrophobicContact CB-CE2 3.4Å; F285-F287 HydrophobicContact CB-CZ 3.77Å; F285-F287 HydrophobicContact CG-CE2 4.43Å; F285-F287 HydrophobicContact CG-CZ 4.41Å; F287-N289 VanDerWaalsContact CB-O 3.29Å; F287-N289 WeakPolarHBondContact CB-O 3.39Å; F287-N289 PolarHBondContact O-N 3.36Å; F287-F291 HydrophobicContact CB-CD1 3.88Å; F287-F291 HydrophobicContact CB-CE1 4.38Å; F287-F291 HydrophobicContact CD1-CB 4.2Å; F287-F291 HydrophobicContact CD1-CD1 4.02Å; F287-F291 HydrophobicContact CD1-CG 4.36Å; F287-F291 AromaticContact CD2-CD1 3.45Å; F287-F291 HydrophobicContact CD2-CD1 3.45Å; F287-F291 VanDerWaalsContact CD2-CD1 3.45Å; F287-F291 AromaticContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CG 4.22Å; F287-F291 HydrophobicContact CE1-CB 4.27Å; F287-F291 HydrophobicContact CE1-CD1 4.45Å; F287-F291 HydrophobicContact CE1-CG 4.43Å; F287-F291 AromaticContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CE1 4.11Å; F287-F291 HydrophobicContact CE2-CG 4.29Å; F287-F291 AromaticContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CE1 4.1Å; F287-F291 HydrophobicContact CG-CG 4.27Å; F287-F291 HydrophobicContact CZ-CD1 4.41Å; F287-F291 HydrophobicContact CZ-CG 4.41Å
288D93.2Very high94.5Very high74 Ų7470.5 Ų70.540%0.39635%0.351SS..SBendtrans-81-0172.680.1-22.2000113.7G25 T270 V271G25-D288 CarbonylContact O-C 3.55Å; T270-D288 VanDerWaalsContact CA-OD1 3.29Å; T270-D288 WeakPolarHBondContact CA-OD1 3.46Å; T270-D288 VanDerWaalsContact CG2-OD1 3.28Å; T270-D288 WeakPolarHBondContact CG2-OD1 3.2Å; V271-D288 HydrophobicContact CB-CB 4.34Å; V271-D288 WeakPolarHBondContact CG2-OD2 3.5Å; V271-D288 PolarHBondContact N-OD1 3.41Å; V271-D288 PolarHBondContact O-N 3.49Å; V271-D288 VanDerWaalsContact O-N 3.15Å
289N92.7Very high94.6Very high62 Ų6263.6 Ų63.633%0.33232%0.316SS..SBendtrans-144.3174.2-179.9-148.8-27.1000110.9G25 T270 F287G25-N289 CarbonylContact O-C 3.56Å; G25-N289 VanDerWaalsContact O-C 3.3Å; G25-N289 WeakPolarHBondContact O-CA 3.4Å; G25-N289 PolarHBondContact O-N 2.94Å; T270-N289 HydrophobicContact CG2-CB 3.72Å; T270-N289 WeakPolarHBondContact OG1-CB 3.45Å; F287-N289 VanDerWaalsContact CB-O 3.29Å; F287-N289 WeakPolarHBondContact CB-O 3.39Å; F287-N289 PolarHBondContact O-N 3.36Å
290T94.4Very high94.7Very high102 Ų10259.2 Ų59.263%0.62629%0.292SS*.  trans-64.6147.6175.158.30000112.2T266T266-T290 PolarHBondContact OG1-O 2.97Å
291F95.4Very high94.8Very high32 Ų3253.8 Ų53.814%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-134.7163171.560-91.2000109.2V29 V264 N265 F287 I293V29-F291 HydrophobicContact CG2-CD1 4.46Å; V29-F291 HydrophobicContact CG2-CD2 4.07Å; V29-F291 HydrophobicContact CG2-CE1 3.69Å; V29-F291 HydrophobicContact CG2-CE2 3.23Å; V29-F291 HydrophobicContact CG2-CZ 3.02Å; V264-F291 HydrophobicContact CG1-CB 4.13Å; V264-F291 HydrophobicContact CG1-CD2 4.06Å; V264-F291 HydrophobicContact CG1-CG 4.32Å; N265-F291 CarbonylContact O-C 3.32Å; N265-F291 VanDerWaalsContact O-CA 3.24Å; N265-F291 WeakPolarHBondContact O-CA 3.37Å; N265-F291 WeakPolarHBondContact O-CB 3.35Å; F287-F291 HydrophobicContact CB-CD1 3.88Å; F287-F291 HydrophobicContact CB-CE1 4.38Å; F287-F291 HydrophobicContact CD1-CB 4.2Å; F287-F291 HydrophobicContact CD1-CD1 4.02Å; F287-F291 HydrophobicContact CD1-CG 4.36Å; F287-F291 AromaticContact CD2-CD1 3.45Å; F287-F291 HydrophobicContact CD2-CD1 3.45Å; F287-F291 VanDerWaalsContact CD2-CD1 3.45Å; F287-F291 AromaticContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CE1 3.62Å; F287-F291 HydrophobicContact CD2-CG 4.22Å; F287-F291 HydrophobicContact CE1-CB 4.27Å; F287-F291 HydrophobicContact CE1-CD1 4.45Å; F287-F291 HydrophobicContact CE1-CG 4.43Å; F287-F291 AromaticContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CD1 3.93Å; F287-F291 HydrophobicContact CE2-CE1 4.11Å; F287-F291 HydrophobicContact CE2-CG 4.29Å; F287-F291 AromaticContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CD1 3.51Å; F287-F291 HydrophobicContact CG-CE1 4.1Å; F287-F291 HydrophobicContact CG-CG 4.27Å; F287-F291 HydrophobicContact CZ-CD1 4.41Å; F287-F291 HydrophobicContact CZ-CG 4.41Å; F291-I293 HydrophobicContact CD2-CG1 4.09Å; F291-I293 HydrophobicContact CE2-CD1 4.09Å; F291-I293 HydrophobicContact CE2-CG1 4.09Å
292E95.1Very high94.9Very high108 Ų10857.5 Ų57.551%0.50528%0.281SS..EExtended strand (participates in β ladder)trans-123.8154.5171-43.8169.9137.900109.3V264 N265 H294V264-E292 WeakPolarHBondContact CA-O 3.31Å; N265-E292 PolarHBondContact N-O 3.47Å; N265-E292 PolarHBondContact ND2-OE2 3.31Å; N265-E292 PolarHBondContact O-N 3.02Å; N265-E292 WeakPolarHBondContact OD1-CB 3.36Å; N265-E292 PolarHBondContact OD1-O 3.42Å; N265-E292 VanDerWaalsContact OD1-O 3.11Å; E292-H294 WeakPolarHBondContact CB-NE2 2.96Å; E292-H294 IonicContact OE2-CE1 3.5Å; E292-H294 IonicContact OE2-NE2 3.12Å; E292-H294 PolarHBondContact OE2-NE2 2.79Å; E292-H294 VanDerWaalsContact OE2-NE2 3.12Å
293I95.6Very high95.1Very high55 Ų5556.5 Ų56.528%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-119.9126177.3-52.9-177.2000107.7V16 I18 I262 I263 V264 F291V16-I293 HydrophobicContact CG1-CD1 3.76Å; I18-I293 HydrophobicContact CD1-CD1 4.07Å; I262-I293 HydrophobicContact CD1-CG2 4.38Å; I263-I293 CarbonylContact O-C 3.51Å; I263-I293 WeakPolarHBondContact O-CA 3.37Å; V264-I293 HydrophobicContact CG2-CG1 4.28Å; F291-I293 HydrophobicContact CD2-CG1 4.09Å; F291-I293 HydrophobicContact CE2-CD1 4.09Å; F291-I293 HydrophobicContact CE2-CG1 4.09Å
294H94.8Very high95.2Very high20 Ų2055.2 Ų55.29%0.09328%0.284CS..EExtended strand (participates in β ladder)trans-121.2132.6177.9-52.7-75.7000109.4I263 N265 E292 E298 V299 R302I263-H294 PolarHBondContact N-O 3.25Å; I263-H294 PolarHBondContact O-N 2.95Å; N265-H294 PolarHBondContact OD1-CD2 3.31Å; N265-H294 PolarHBondContact OD1-NE2 3.38Å; E292-H294 WeakPolarHBondContact CB-NE2 2.96Å; E292-H294 IonicContact OE2-CE1 3.5Å; E292-H294 IonicContact OE2-NE2 3.12Å; E292-H294 PolarHBondContact OE2-NE2 2.79Å; E292-H294 VanDerWaalsContact OE2-NE2 3.12Å; H294-E298 HydrophobicContact CB-CG 4.4Å; H294-V299 HydrophobicContact CB-CG2 4.15Å; H294-R302 PolarHBondContact CE1-NH1 2.87Å; H294-R302 PolarHBondContact CE1-NH2 3.15Å; H294-R302 PolarHBondContact ND1-NH1 2.76Å; H294-R302 PolarHBondContact ND1-NH2 2.87Å
295D95.5Very high95.3Very high86 Ų8653 Ų5346%0.4627%0.271SS..EExtended strand (participates in β ladder)trans-74.4157.9172.3-160.910.6000110.6I297 E298 V299D295-I297 HydrophobicContact CB-CG2 4.14Å; D295-I297 PolarHBondContact O-N 3.28Å; D295-E298 WeakPolarHBondContact O-CB 3.31Å; D295-E298 PolarHBondContact O-N 3.23Å; D295-V299 PolarHBondContact O-N 2.66Å; D295-V299 VanDerWaalsContact O-N 3.1Å
296D96.1Very high95.4Very high22 Ų2250.5 Ų50.512%0.11826%0.261CS..Hα-helixtrans-56.9-38.3-178.758.416.4000112.3L259 P260 F261 E298 V299 L300L259-D296 HydrophobicContact CD2-CB 4.3Å; L259-D296 HydrophobicContact CG-CB 4.16Å; L259-D296 WeakPolarHBondContact CG-OD2 3.35Å; P260-D296 VanDerWaalsContact CA-OD2 3.26Å; P260-D296 WeakPolarHBondContact CA-OD2 3.46Å; F261-D296 HydrophobicContact CD1-CB 3.95Å; F261-D296 HydrophobicContact CD2-CB 4.08Å; F261-D296 HydrophobicContact CE1-CB 3.8Å; F261-D296 HydrophobicContact CE2-CB 3.9Å; F261-D296 HydrophobicContact CG-CB 4.09Å; F261-D296 HydrophobicContact CZ-CB 3.76Å; F261-D296 PolarHBondContact N-OD2 3.14Å; F261-D296 WeakPolarHBondContact O-CB 3.45Å; F261-D296 PolarHBondContact O-N 3.23Å; D296-E298 VanDerWaalsContact C-N 3.32Å; D296-E298 PolarHBondContact O-N 3.03Å; D296-V299 WeakPolarHBondContact O-CB 3.49Å; D296-V299 PolarHBondContact O-N 2.66Å; D296-L300 WeakPolarHBondContact O-CD1 3.43Å; D296-L300 PolarHBondContact O-N 2.62Å
297I95.1Very high95.4Very high19 Ų1948 Ų4810%0.09725%0.248CC..Hα-helixtrans-63.3-38.8178.4-176.758.1000112Q229 A232 D295 V299 L300 K301Q229-I297 HydrophobicContact CB-CD1 4.12Å; Q229-I297 HydrophobicContact CG-CB 4.47Å; Q229-I297 HydrophobicContact CG-CD1 3.55Å; Q229-I297 HydrophobicContact CG-CG1 3.6Å; A232-I297 HydrophobicContact CB-CD1 3.98Å; D295-I297 HydrophobicContact CB-CG2 4.14Å; D295-I297 PolarHBondContact O-N 3.28Å; I297-V299 VanDerWaalsContact C-N 3.34Å; I297-L300 WeakPolarHBondContact O-CB 3.28Å; I297-L300 PolarHBondContact O-N 3.11Å; I297-K301 WeakPolarHBondContact O-CG 3.49Å; I297-K301 PolarHBondContact O-N 2.98Å
298E95.6Very high95.3Very high63 Ų6348 Ų4829%0.29425%0.251SS..Hα-helixtrans-67.5-39.2177.2177.457.3-161.400110.5H294 D295 D296 L300 K301 R302H294-E298 HydrophobicContact CB-CG 4.4Å; D295-E298 WeakPolarHBondContact O-CB 3.31Å; D295-E298 PolarHBondContact O-N 3.23Å; D296-E298 VanDerWaalsContact C-N 3.32Å; D296-E298 PolarHBondContact O-N 3.03Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.47Å; E298-K301 PolarHBondContact O-N 3.31Å; E298-R302 WeakPolarHBondContact O-CG 3.34Å; E298-R302 PolarHBondContact O-N 3.22Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 IonicContact OE1-NE 2.83Å; E298-R302 PolarHBondContact OE1-NE 3.34Å; E298-R302 IonicContact OE1-NH2 2.95Å; E298-R302 PolarHBondContact OE1-NH2 2.9Å
299V97.3Very high95.3Very high34 Ų3444.8 Ų44.821%0.20623%0.234CC..Hα-helixtrans-61-44.7172.3176.90000110.6F261 I263 H294 D295 D296 I297 K301 R302 M303F261-V299 HydrophobicContact CE2-CB 4.42Å; F261-V299 HydrophobicContact CE2-CG2 4.25Å; F261-V299 HydrophobicContact CZ-CG1 4.41Å; I263-V299 HydrophobicContact CB-CG2 4.45Å; I263-V299 HydrophobicContact CG1-CG2 3.96Å; H294-V299 HydrophobicContact CB-CG2 4.15Å; D295-V299 PolarHBondContact O-N 2.66Å; D295-V299 VanDerWaalsContact O-N 3.1Å; D296-V299 WeakPolarHBondContact O-CB 3.49Å; D296-V299 PolarHBondContact O-N 2.66Å; I297-V299 VanDerWaalsContact C-N 3.34Å; V299-K301 PolarHBondContact O-N 2.64Å; V299-R302 PolarHBondContact O-N 3.31Å; V299-M303 HydrophobicContact CG1-CG 4.48Å; V299-M303 HydrophobicContact CG1-SD 3.98Å; V299-M303 VanDerWaalsContact O-CG 3.26Å; V299-M303 WeakPolarHBondContact O-CG 3.37Å; V299-M303 PolarHBondContact O-N 3.21Å
300L97.4Very high95.3Very high6 Ų645.6 Ų45.63%0.03124%0.236CC..Hα-helixtrans-62.4-41177.5-95.265.2000112.3A232 L236 L259 D296 I297 E298 M303 G304 M305A232-L300 HydrophobicContact CB-CB 4.16Å; A232-L300 HydrophobicContact CB-CD2 4.15Å; L236-L300 HydrophobicContact CB-CD2 4.42Å; L236-L300 HydrophobicContact CD2-CD1 4.08Å; L236-L300 HydrophobicContact CD2-CD2 3.88Å; L236-L300 HydrophobicContact CD2-CG 4.11Å; L259-L300 HydrophobicContact CD2-CD1 4.45Å; L259-L300 HydrophobicContact CD2-CD2 4.23Å; D296-L300 WeakPolarHBondContact O-CD1 3.43Å; D296-L300 PolarHBondContact O-N 2.62Å; I297-L300 WeakPolarHBondContact O-CB 3.28Å; I297-L300 PolarHBondContact O-N 3.11Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.47Å; L300-M303 PolarHBondContact O-N 3.42Å; L300-G304 PolarHBondContact O-N 3.06Å; L300-M305 HydrophobicContact CB-CB 4.26Å; L300-M305 HydrophobicContact CB-CG 4.39Å; L300-M305 HydrophobicContact CG-CB 4.48Å; L300-M305 HydrophobicContact CG-CG 4.28Å; L300-M305 VanDerWaalsContact O-CB 3.23Å; L300-M305 WeakPolarHBondContact O-CB 3.49Å; L300-M305 WeakPolarHBondContact O-CG 3.15Å; L300-M305 PolarHBondContact O-N 3.49Å
301K96Very high95Very high22 Ų2244.4 Ų44.410%0.09623%0.232CC..Hα-helixtrans-59.4-50.1173.9-73170.6-175.4171.70110.9E225 I297 E298 V299 M303 G304 A306 E310E225-K301 WeakPolarHBondContact OE1-CE 3.38Å; E225-K301 IonicContact OE1-NZ 3.75Å; E225-K301 PolarHBondContact OE1-NZ 3.45Å; E225-K301 IonicContact OE2-NZ 2.66Å; E225-K301 PolarHBondContact OE2-NZ 3.22Å; I297-K301 WeakPolarHBondContact O-CG 3.49Å; I297-K301 PolarHBondContact O-N 2.98Å; E298-K301 PolarHBondContact O-N 3.31Å; V299-K301 PolarHBondContact O-N 2.64Å; K301-M303 PolarHBondContact O-N 3.17Å; K301-G304 WeakPolarHBondContact O-CA 3.23Å; K301-G304 PolarHBondContact O-N 2.62Å; K301-A306 HydrophobicContact CG-CB 3.98Å; K301-E310 HydrophobicContact CB-CG 4.47Å; K301-E310 HydrophobicContact CD-CB 4.37Å
302R95.6Very high94.7Very high151 Ų15144.2 Ų44.257%0.5724%0.238SC*.Hα-helixtrans-63.3-27.7177.4-67.9-177.2-168.6174.612.6113.9H294 E298 V299 G304H294-R302 PolarHBondContact CE1-NH1 2.87Å; H294-R302 PolarHBondContact CE1-NH2 3.15Å; H294-R302 PolarHBondContact ND1-NH1 2.76Å; H294-R302 PolarHBondContact ND1-NH2 2.87Å; E298-R302 WeakPolarHBondContact O-CG 3.34Å; E298-R302 PolarHBondContact O-N 3.22Å; E298-R302 IonicContact OE1-CZ 3.33Å; E298-R302 IonicContact OE1-NE 2.83Å; E298-R302 PolarHBondContact OE1-NE 3.34Å; E298-R302 IonicContact OE1-NH2 2.95Å; E298-R302 PolarHBondContact OE1-NH2 2.9Å; V299-R302 PolarHBondContact O-N 3.31Å; R302-G304 PolarHBondContact O-N 3.34Å
303M96.5Very high94.4Very high85 Ų8543.3 Ų43.342%0.41924%0.244SC..THydrogen-bonded Turntrans-73.3-1.7171.2-72173.663.200113.3V299 L300 K301 M305V299-M303 HydrophobicContact CG1-CG 4.48Å; V299-M303 HydrophobicContact CG1-SD 3.98Å; V299-M303 VanDerWaalsContact O-CG 3.26Å; V299-M303 WeakPolarHBondContact O-CG 3.37Å; V299-M303 PolarHBondContact O-N 3.21Å; L300-M303 PolarHBondContact O-N 3.42Å; K301-M303 PolarHBondContact O-N 3.17Å; M303-M305 VanDerWaalsContact C-N 3.3Å; M303-M305 HydrophobicContact CB-CE 4.02Å; M303-M305 HydrophobicContact CB-CG 4.05Å; M303-M305 HydrophobicContact CE-CE 4.23Å; M303-M305 WeakPolarHBondContact O-CE 3.35Å
304G95.7Very high94.1Very high38 Ų3842 Ų4239%0.39224%0.24SC..THydrogen-bonded Turntrans77.511.4-176.700000113.7L300 K301 R302 A306 C307L300-G304 PolarHBondContact O-N 3.06Å; K301-G304 WeakPolarHBondContact O-CA 3.23Å; K301-G304 PolarHBondContact O-N 2.62Å; R302-G304 PolarHBondContact O-N 3.34Å; G304-A306 PolarHBondContact O-N 3.5Å; G304-C307 PolarHBondContact O-N 3.4Å
305M96.8Very high94Very high12 Ų1243.5 Ų43.56%0.05925%0.252CS..THydrogen-bonded Turntrans-67.6-25.3-177.5-59.8-65.2126.500111.9A232 N235 L236 R239 L300 M303 C307A232-M305 WeakPolarHBondContact CA-O 3.49Å; A232-M305 HydrophobicContact CB-CB 3.99Å; N235-M305 WeakPolarHBondContact CB-O 3.31Å; N235-M305 PolarHBondContact ND2-O 2.95Å; L236-M305 HydrophobicContact CB-CG 4.42Å; L236-M305 HydrophobicContact CB-SD 4.18Å; L236-M305 HydrophobicContact CD1-SD 4.3Å; R239-M305 VanDerWaalsContact NH1-CE 3.26Å; L300-M305 HydrophobicContact CB-CB 4.26Å; L300-M305 HydrophobicContact CB-CG 4.39Å; L300-M305 HydrophobicContact CG-CB 4.48Å; L300-M305 HydrophobicContact CG-CG 4.28Å; L300-M305 VanDerWaalsContact O-CB 3.23Å; L300-M305 WeakPolarHBondContact O-CB 3.49Å; L300-M305 WeakPolarHBondContact O-CG 3.15Å; L300-M305 PolarHBondContact O-N 3.49Å; M303-M305 VanDerWaalsContact C-N 3.3Å; M303-M305 HydrophobicContact CB-CE 4.02Å; M303-M305 HydrophobicContact CB-CG 4.05Å; M303-M305 HydrophobicContact CE-CE 4.23Å; M303-M305 WeakPolarHBondContact O-CE 3.35Å; M305-C307 PolarHBondContact O-N 3.19Å
306A95.3Very high93.9Very high0 Ų043.6 Ų43.60%027%0.265CS..THydrogen-bonded Turntrans-83.99.8174.700000113.8L228 A232 K301 G304 G308 L309 E310L228-A306 HydrophobicContact CD2-CB 4.21Å; A232-A306 HydrophobicContact CB-CB 4.34Å; K301-A306 HydrophobicContact CG-CB 3.98Å; G304-A306 PolarHBondContact O-N 3.5Å; A306-G308 PolarHBondContact O-N 3.48Å; A306-L309 WeakPolarHBondContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CG 3.49Å; A306-L309 PolarHBondContact O-N 3.33Å; A306-L309 VanDerWaalsContact O-N 3.17Å; A306-E310 VanDerWaalsContact CB-OE2 3.24Å; A306-E310 WeakPolarHBondContact CB-OE2 3.38Å
307C94.5Very high93.8Very high4 Ų450.3 Ų50.33%0.02730%0.296CS..THydrogen-bonded Turntrans60.425.3175.1-67.30000114G304 M305 L309 C314 D318 A322G304-C307 PolarHBondContact O-N 3.4Å; M305-C307 PolarHBondContact O-N 3.19Å; C307-L309 PolarHBondContact O-N 3.48Å; C307-C314 PolarHBondContact O-SG 3.36Å; C307-D318 HydrophobicContact CB-CB 3.94Å; C307-A322 HydrophobicContact CB-CB 4.16Å
308G92.6Very high93.8Very high13 Ų1352.5 Ų52.513%0.13431%0.307CS..THydrogen-bonded Turntrans69.112-178.500000114.3A306 E310 S311 G312 S313A306-G308 PolarHBondContact O-N 3.48Å; G308-E310 VanDerWaalsContact C-N 3.27Å; G308-E310 WeakPolarHBondContact CA-OE2 3.43Å; G308-E310 PolarHBondContact O-N 3.38Å; G308-S311 PolarHBondContact O-N 2.87Å; G308-S311 PolarHBondContact O-OG 3.47Å; G308-G312 PolarHBondContact O-N 3.02Å; G308-S313 PolarHBondContact O-N 3.25Å
309L93.8Very high93.8Very high6 Ų651.1 Ų51.13%0.03130%0.302CS..G310 helixtrans-69.1-26.3-178.9-72.9173000112.9L228 I231 A306 C307 S311 G312 C314 L319 A322 V334 M337 A338L228-L309 HydrophobicContact CD2-CB 3.54Å; I231-L309 HydrophobicContact CD1-CD1 3.46Å; I231-L309 VanDerWaalsContact CD1-CD1 3.46Å; A306-L309 WeakPolarHBondContact O-CB 3.25Å; A306-L309 WeakPolarHBondContact O-CG 3.49Å; A306-L309 PolarHBondContact O-N 3.33Å; A306-L309 VanDerWaalsContact O-N 3.17Å; C307-L309 PolarHBondContact O-N 3.48Å; L309-S311 PolarHBondContact O-N 3.1Å; L309-G312 PolarHBondContact O-N 2.95Å; L309-C314 HydrophobicContact CD2-CB 4.07Å; L309-L319 HydrophobicContact CD2-CD1 4.46Å; L309-A322 HydrophobicContact CD1-CB 3.71Å; L309-V334 HydrophobicContact CD1-CG1 3.95Å; L309-V334 HydrophobicContact CD2-CG1 4.27Å; L309-M337 HydrophobicContact CB-CE 4.46Å; L309-M337 HydrophobicContact CD2-CB 4.43Å; L309-A338 HydrophobicContact CD2-CB 3.78Å
310E91.3Very high93.7Very high79 Ų7957.4 Ų57.437%0.36933%0.327SS..G310 helixtrans-61.8-25.9177.766.1-78179.900113.1L228 K301 A306 G308L228-E310 HydrophobicContact CD1-CB 3.98Å; L228-E310 HydrophobicContact CD2-CB 4.44Å; K301-E310 HydrophobicContact CB-CG 4.47Å; K301-E310 HydrophobicContact CD-CB 4.37Å; A306-E310 VanDerWaalsContact CB-OE2 3.24Å; A306-E310 WeakPolarHBondContact CB-OE2 3.38Å; G308-E310 VanDerWaalsContact C-N 3.27Å; G308-E310 WeakPolarHBondContact CA-OE2 3.43Å; G308-E310 PolarHBondContact O-N 3.38Å
311S89.7Confident93.6Very high78 Ų7860.7 Ų60.755%0.54534%0.343SS..G310 helixtrans-117.55.2-179.4620000113.2G308 L309 S313G308-S311 PolarHBondContact O-N 2.87Å; G308-S311 PolarHBondContact O-OG 3.47Å; L309-S311 PolarHBondContact O-N 3.1Å; S311-S313 PolarHBondContact O-N 3.37Å; S311-S313 WeakPolarHBondContact OG-CB 3.33Å; S311-S313 PolarHBondContact OG-OG 3.36Å
312G89.1Confident93.7Very high27 Ų2759.7 Ų59.728%0.27834%0.338SS..THydrogen-bonded Turntrans65.711.4-172.700000114.3G308 L309 C314G308-G312 PolarHBondContact O-N 3.02Å; L309-G312 PolarHBondContact O-N 2.95Å; G312-C314 VanDerWaalsContact C-N 3.31Å; G312-C314 PolarHBondContact O-N 3.47Å
313S88.7Confident93.7Very high89 Ų8956.7 Ų56.762%0.62233%0.327SS*.  trans-94.352.8-176.7-59.80000111.3G308 S311G308-S313 PolarHBondContact O-N 3.25Å; S311-S313 PolarHBondContact O-N 3.37Å; S311-S313 WeakPolarHBondContact OG-CB 3.33Å; S311-S313 PolarHBondContact OG-OG 3.36Å
314C88.9Confident93.7Very high28 Ų2856.6 Ų56.619%0.18933%0.334CS..  trans-96.5124-172.1-165.40000111.6C307 L309 G312 L319 A338C307-C314 PolarHBondContact O-SG 3.36Å; L309-C314 HydrophobicContact CD2-CB 4.07Å; G312-C314 VanDerWaalsContact C-N 3.31Å; G312-C314 PolarHBondContact O-N 3.47Å; C314-L319 VanDerWaalsContact SG-CA 3.53Å; C314-L319 PolarHBondContact SG-N 3.39Å; C314-A338 HydrophobicContact CB-CB 4.15Å
315S92.6Very high93.8Very high51 Ų5154.9 Ų54.936%0.35732%0.316SS..  trans-70.5164.7172.981.30000111.6E317 D318 L319S315-E317 VanDerWaalsContact C-N 3.26Å; S315-E317 PolarHBondContact O-N 2.99Å; S315-D318 WeakPolarHBondContact CB-OD2 3.23Å; S315-D318 PolarHBondContact O-N 3.37Å; S315-D318 WeakPolarHBondContact OG-CB 3.33Å; S315-D318 PolarHBondContact OG-N 2.83Å; S315-D318 VanDerWaalsContact OG-N 3.12Å; S315-D318 PolarHBondContact OG-OD2 2.95Å; S315-L319 WeakPolarHBondContact O-CB 3.28Å; S315-L319 PolarHBondContact O-N 2.95Å
316A93Very high93.8Very high88 Ų8854.9 Ų54.973%0.72732%0.317SS*.Hα-helixtrans-62.8-33.5178.500000112.8K320A316-K320 PolarHBondContact O-N 3.24Å
317E94.4Very high93.9Very high163 Ų16358.2 Ų58.276%0.76234%0.339SS*.Hα-helixtrans-73.3-44176.9-62.9-174.8171.100111.1S315 L319 K320 M321S315-E317 VanDerWaalsContact C-N 3.26Å; S315-E317 PolarHBondContact O-N 2.99Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 2.92Å; E317-K320 WeakPolarHBondContact O-CB 3.41Å; E317-K320 PolarHBondContact O-N 2.66Å; E317-M321 PolarHBondContact O-N 2.79Å
318D95.2Very high94Very high65 Ų6566.4 Ų66.435%0.34837%0.374SS..Hα-helixtrans-61.6-40.4175.7-71-43.1000111.6C307 S315 K320 M321 A322C307-D318 HydrophobicContact CB-CB 3.94Å; S315-D318 WeakPolarHBondContact CB-OD2 3.23Å; S315-D318 PolarHBondContact O-N 3.37Å; S315-D318 WeakPolarHBondContact OG-CB 3.33Å; S315-D318 PolarHBondContact OG-N 2.83Å; S315-D318 VanDerWaalsContact OG-N 3.12Å; S315-D318 PolarHBondContact OG-OD2 2.95Å; D318-K320 VanDerWaalsContact C-N 3.33Å; D318-K320 PolarHBondContact O-N 2.99Å; D318-M321 WeakPolarHBondContact O-CB 3.37Å; D318-M321 PolarHBondContact O-N 2.94Å; D318-A322 VanDerWaalsContact O-CB 3.3Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.32Å
319L95.1Very high94.2Very high34 Ų3469.7 Ų69.718%0.17840%0.399CS..Hα-helixtrans-66-39.1177.6-176.258.8000111.4L309 C314 S315 E317 R323 V334 A338L309-L319 HydrophobicContact CD2-CD1 4.46Å; C314-L319 VanDerWaalsContact SG-CA 3.53Å; C314-L319 PolarHBondContact SG-N 3.39Å; S315-L319 WeakPolarHBondContact O-CB 3.28Å; S315-L319 PolarHBondContact O-N 2.95Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 2.92Å; L319-R323 WeakPolarHBondContact O-CB 2.99Å; L319-R323 WeakPolarHBondContact O-CG 3.4Å; L319-R323 PolarHBondContact O-N 3.46Å; L319-V334 HydrophobicContact CD1-CG1 4.01Å; L319-A338 HydrophobicContact CD1-CB 3.63Å; L319-A338 HydrophobicContact CD2-CB 4.35Å
320K96Very high94.3Very high167 Ų16771.7 Ų71.773%0.72641%0.41SS*.Hα-helixtrans-65-43.1175-175-176.9177.7-174.90110.9A316 E317 D318 S324A316-K320 PolarHBondContact O-N 3.24Å; E317-K320 WeakPolarHBondContact O-CB 3.41Å; E317-K320 PolarHBondContact O-N 2.66Å; D318-K320 VanDerWaalsContact C-N 3.33Å; D318-K320 PolarHBondContact O-N 2.99Å; K320-S324 PolarHBondContact O-N 2.85Å
321M95.7Very high94.5Very high75 Ų7571.2 Ų71.237%0.36941%0.408SS..Hα-helixtrans-60.6-53.8174.6179.862.78600110.6E317 D318 R323 S324 L325E317-M321 PolarHBondContact O-N 2.79Å; D318-M321 WeakPolarHBondContact O-CB 3.37Å; D318-M321 PolarHBondContact O-N 2.94Å; M321-R323 VanDerWaalsContact C-N 3.34Å; M321-R323 PolarHBondContact O-N 3.47Å; M321-S324 WeakPolarHBondContact O-CA 3.17Å; M321-S324 WeakPolarHBondContact O-CB 3.42Å; M321-S324 PolarHBondContact O-N 3.11Å; M321-S324 PolarHBondContact O-OG 3.4Å; M321-L325 HydrophobicContact CG-CD1 4.1Å; M321-L325 WeakPolarHBondContact O-CG 3.23Å; M321-L325 PolarHBondContact O-N 3Å; M321-L325 HydrophobicContact SD-CD1 4.38Å; M321-L325 HydrophobicContact SD-CG 4.45Å
322A96.6Very high94.7Very high0 Ų071.4 Ų71.40%041%0.407CS..Hα-helixtrans-53.9-46.4-18000000113.1I231 C307 L309 D318 S324 L325 V334I231-A322 HydrophobicContact CD1-CB 4.06Å; I231-A322 HydrophobicContact CG2-CB 4.41Å; C307-A322 HydrophobicContact CB-CB 4.16Å; L309-A322 HydrophobicContact CD1-CB 3.71Å; D318-A322 VanDerWaalsContact O-CB 3.3Å; D318-A322 WeakPolarHBondContact O-CB 3.27Å; D318-A322 PolarHBondContact O-N 3.32Å; A322-S324 VanDerWaalsContact C-N 3.28Å; A322-S324 PolarHBondContact O-N 3.04Å; A322-L325 PolarHBondContact O-N 3.3Å; A322-L325 VanDerWaalsContact O-N 3.14Å; A322-V334 HydrophobicContact CB-CG1 3.95Å
323R96.6Very high95Very high89 Ų8973.6 Ų73.634%0.33641%0.408SS..Hα-helixtrans-60.5-36.8175.8-75.1176.2176.6172.40.5112.5L319 M321 L325 V326 E331 V334 T335L319-R323 WeakPolarHBondContact O-CB 2.99Å; L319-R323 WeakPolarHBondContact O-CG 3.4Å; L319-R323 PolarHBondContact O-N 3.46Å; M321-R323 VanDerWaalsContact C-N 3.34Å; M321-R323 PolarHBondContact O-N 3.47Å; R323-L325 PolarHBondContact O-N 3.33Å; R323-V326 WeakPolarHBondContact O-CG2 3.1Å; R323-V326 PolarHBondContact O-N 3.43Å; R323-E331 HydrophobicContact CB-CG 4.37Å; R323-E331 HydrophobicContact CG-CG 4.48Å; R323-V334 HydrophobicContact CG-CG1 4.07Å; R323-T335 PolarHBondContact NE-OG1 3.46Å; R323-T335 VanDerWaalsContact NH2-CG2 3.27Å; R323-T335 PolarHBondContact NH2-OG1 3.24Å
324S96.7Very high95.3Very high82 Ų8269.4 Ų69.457%0.57338%0.378SS*.Hα-helixtrans-70-20.1178.380.90000113.9K320 M321 A322K320-S324 PolarHBondContact O-N 2.85Å; M321-S324 WeakPolarHBondContact O-CA 3.17Å; M321-S324 WeakPolarHBondContact O-CB 3.42Å; M321-S324 PolarHBondContact O-N 3.11Å; M321-S324 PolarHBondContact O-OG 3.4Å; A322-S324 VanDerWaalsContact C-N 3.28Å; A322-S324 PolarHBondContact O-N 3.04Å
325L96.7Very high95.5Very high2 Ų269.4 Ų69.41%0.0138%0.378CS..Hα-helixtrans-88.2-14-178.1-63.3174.7000113.1I231 K234 N235 M321 A322 R323I231-L325 HydrophobicContact CG1-CB 4.4Å; I231-L325 HydrophobicContact CG2-CD1 4.03Å; K234-L325 HydrophobicContact CB-CD2 3.96Å; K234-L325 HydrophobicContact CD-CB 4.38Å; K234-L325 WeakPolarHBondContact CD-O 3.07Å; K234-L325 PolarHBondContact NZ-O 2.8Å; N235-L325 HydrophobicContact CB-CD1 3.82Å; M321-L325 HydrophobicContact CG-CD1 4.1Å; M321-L325 WeakPolarHBondContact O-CG 3.23Å; M321-L325 PolarHBondContact O-N 3Å; M321-L325 HydrophobicContact SD-CD1 4.38Å; M321-L325 HydrophobicContact SD-CG 4.45Å; A322-L325 PolarHBondContact O-N 3.3Å; A322-L325 VanDerWaalsContact O-N 3.14Å; R323-L325 PolarHBondContact O-N 3.33Å
326V97Very high95.5Very high12 Ų1267.8 Ų67.87%0.07336%0.364CS..SBendtrans-107155.3179.4-60.90000112.3I227 I231 R323 L330 E331 V334I227-V326 HydrophobicContact CG2-CG1 4.33Å; I231-V326 HydrophobicContact CD1-CG1 3.88Å; I231-V326 HydrophobicContact CG1-CG1 3.63Å; R323-V326 WeakPolarHBondContact O-CG2 3.1Å; R323-V326 PolarHBondContact O-N 3.43Å; V326-L330 HydrophobicContact CB-CB 4.29Å; V326-L330 HydrophobicContact CG2-CB 4.44Å; V326-E331 HydrophobicContact CG2-CG 4.17Å; V326-V334 HydrophobicContact CB-CG2 4.5Å; V326-V334 HydrophobicContact CG1-CG2 4.05Å; V326-V334 HydrophobicContact CG2-CG2 3.8Å
327P97.5Very high95.5Very high70 Ų7064.1 Ų64.146%0.45533%0.332SS..  trans-59.7147.5167.4-21.533.2000111.8A329 L330P327-A329 PolarHBondContact O-N 3.48Å; P327-L330 PolarHBondContact O-N 3.19Å
328K96.1Very high95.4Very high177 Ų17757.3 Ų57.377%0.7730%0.304SS*.G310 helixtrans-50.4-35.2-178.7-65.9-173176.3-176.70114.4L330 E331K328-L330 PolarHBondContact O-N 3.16Å; K328-E331 PolarHBondContact O-N 2.89Å
329A97.1Very high95Very high81 Ų8160.5 Ų60.567%0.66932%0.317SS*.G310 helixtrans-65-20.117900000113.8P327P327-A329 PolarHBondContact O-N 3.48Å
330L96.5Very high94.2Very high48 Ų4861.6 Ų61.625%0.25134%0.337SS..G310 helixtrans-101.4-7.9-178.8-57.3-175000113.5I227 V326 P327 K328 P332 Y333 V334I227-L330 HydrophobicContact CD1-CB 4.47Å; I227-L330 HydrophobicContact CG1-CD1 4.28Å; V326-L330 HydrophobicContact CB-CB 4.29Å; V326-L330 HydrophobicContact CG2-CB 4.44Å; P327-L330 PolarHBondContact O-N 3.19Å; K328-L330 PolarHBondContact O-N 3.16Å; L330-P332 VanDerWaalsContact C-N 3.31Å; L330-Y333 HydrophobicContact CD2-CD2 4.23Å; L330-Y333 HydrophobicContact CD2-CE2 4.47Å; L330-Y333 PolarHBondContact O-N 3.43Å; L330-Y333 VanDerWaalsContact O-N 3.09Å; L330-V334 PolarHBondContact O-N 3.11Å
331E95.4Very high93Very high69 Ų6956.9 Ų56.932%0.32232%0.322SS..Hα-helixtrans-55.1-35.9176.8-69.3177.9-158.400114.4R323 V326 K328 Y333 V334 T335R323-E331 HydrophobicContact CB-CG 4.37Å; R323-E331 HydrophobicContact CG-CG 4.48Å; V326-E331 HydrophobicContact CG2-CG 4.17Å; K328-E331 PolarHBondContact O-N 2.89Å; E331-Y333 VanDerWaalsContact C-N 3.33Å; E331-Y333 PolarHBondContact O-N 3.03Å; E331-V334 PolarHBondContact O-N 2.76Å; E331-T335 PolarHBondContact O-N 2.64Å; E331-T335 VanDerWaalsContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 3.05Å
332P94.6Very high91.4Very high83 Ų8355.9 Ų55.954%0.53932%0.32SS..Hα-helixtrans-59.8-41.7174.5-25.836.3000112.8L330 T335 E336L330-P332 VanDerWaalsContact C-N 3.31Å; P332-T335 WeakPolarHBondContact O-CB 3.39Å; P332-T335 PolarHBondContact O-N 2.81Å; P332-E336 PolarHBondContact O-N 3.41Å
333Y94.6Very high89.6Confident73 Ų7357.7 Ų57.729%0.28634%0.338SS..Hα-helixtrans-67.8-39.5179.3-64.8-81000111.9L223 I227 L330 E331 T335 E336 M337 F346L223-Y333 HydrophobicContact CD2-CD1 3.99Å; L223-Y333 HydrophobicContact CD2-CD2 4.4Å; L223-Y333 HydrophobicContact CD2-CE1 3.81Å; L223-Y333 HydrophobicContact CD2-CE2 4.25Å; L223-Y333 HydrophobicContact CD2-CG 4.27Å; I227-Y333 HydrophobicContact CD1-CG 4.34Å; L330-Y333 HydrophobicContact CD2-CD2 4.23Å; L330-Y333 HydrophobicContact CD2-CE2 4.47Å; L330-Y333 PolarHBondContact O-N 3.43Å; L330-Y333 VanDerWaalsContact O-N 3.09Å; E331-Y333 VanDerWaalsContact C-N 3.33Å; E331-Y333 PolarHBondContact O-N 3.03Å; Y333-T335 PolarHBondContact O-N 3.02Å; Y333-E336 PolarHBondContact O-N 2.6Å; Y333-M337 WeakPolarHBondContact O-CG 3.31Å; Y333-M337 PolarHBondContact O-N 3.44Å; Y333-F346 HydrophobicContact CE1-CZ 4.23Å
334V95.5Very high87.5Confident0 Ų055.5 Ų55.50%034%0.343CS..Hα-helixtrans-59.9-37.5173.6175.50000111.2I227 I231 L309 L319 A322 R323 V326 L330 E331 A338I227-V334 HydrophobicContact CG2-CG2 3.81Å; I231-V334 HydrophobicContact CD1-CG2 4.09Å; L309-V334 HydrophobicContact CD1-CG1 3.95Å; L309-V334 HydrophobicContact CD2-CG1 4.27Å; L319-V334 HydrophobicContact CD1-CG1 4.01Å; A322-V334 HydrophobicContact CB-CG1 3.95Å; R323-V334 HydrophobicContact CG-CG1 4.07Å; V326-V334 HydrophobicContact CB-CG2 4.5Å; V326-V334 HydrophobicContact CG1-CG2 4.05Å; V326-V334 HydrophobicContact CG2-CG2 3.8Å; L330-V334 PolarHBondContact O-N 3.11Å; E331-V334 PolarHBondContact O-N 2.76Å; V334-A338 PolarHBondContact O-N 3.03Å; V334-A338 VanDerWaalsContact O-N 3.07Å
335T93.3Very high85.3Confident29 Ų2955.6 Ų55.618%0.17834%0.34CS..Hα-helixtrans-69.5-41.1177.7-52.80000112R323 E331 P332 Y333 A338 Q339R323-T335 PolarHBondContact NE-OG1 3.46Å; R323-T335 VanDerWaalsContact NH2-CG2 3.27Å; R323-T335 PolarHBondContact NH2-OG1 3.24Å; E331-T335 PolarHBondContact O-N 2.64Å; E331-T335 VanDerWaalsContact O-N 3.1Å; E331-T335 PolarHBondContact O-OG1 3.05Å; P332-T335 WeakPolarHBondContact O-CB 3.39Å; P332-T335 PolarHBondContact O-N 2.81Å; Y333-T335 PolarHBondContact O-N 3.02Å; T335-A338 PolarHBondContact O-N 2.9Å; T335-Q339 WeakPolarHBondContact O-CG 3.42Å; T335-Q339 PolarHBondContact O-N 3.47Å
336E92.4Very high83.2Confident17 Ų1760.2 Ų60.28%0.07936%0.36CS..Hα-helixtrans-62.2-43.1174.9-168.1-176.116800111.3P332 Y333 A338 Q339 G340 T341 V342 G343 F346P332-E336 PolarHBondContact O-N 3.41Å; Y333-E336 PolarHBondContact O-N 2.6Å; E336-A338 PolarHBondContact O-N 3.4Å; E336-Q339 PolarHBondContact O-N 3.3Å; E336-G340 PolarHBondContact O-N 3.49Å; E336-G340 VanDerWaalsContact O-N 3.14Å; E336-T341 PolarHBondContact O-N 2.92Å; E336-V342 HydrophobicContact CG-CG2 3.94Å; E336-V342 VanDerWaalsContact OE1-CA 3.3Å; E336-V342 WeakPolarHBondContact OE1-CA 3.49Å; E336-G343 PolarHBondContact OE1-N 2.81Å; E336-F346 WeakPolarHBondContact OE1-CE2 3.36Å; E336-F346 WeakPolarHBondContact OE2-CE2 3.4Å; E336-F346 WeakPolarHBondContact OE2-CZ 3.46Å
337M92.7Very high80.8Confident11 Ų1163.8 Ų63.85%0.05438%0.378CS..Hα-helixtrans-62.3-42.2176.7-68.7164.371.800112.2Q224 I227 L228 L309 Y333 Q339 G340 V342Q224-M337 HydrophobicContact CB-CE 4.06Å; Q224-M337 HydrophobicContact CB-SD 4.2Å; Q224-M337 HydrophobicContact CG-CE 4.34Å; Q224-M337 HydrophobicContact CG-CG 3.99Å; Q224-M337 HydrophobicContact CG-SD 3.88Å; I227-M337 HydrophobicContact CB-SD 4.34Å; I227-M337 HydrophobicContact CD1-SD 4.49Å; I227-M337 HydrophobicContact CG2-CE 4.26Å; I227-M337 HydrophobicContact CG2-SD 3.95Å; L228-M337 HydrophobicContact CD1-CE 4.24Å; L228-M337 HydrophobicContact CD2-CE 3.42Å; L228-M337 VanDerWaalsContact CD2-CE 3.42Å; L228-M337 HydrophobicContact CG-CE 3.54Å; L309-M337 HydrophobicContact CB-CE 4.46Å; L309-M337 HydrophobicContact CD2-CB 4.43Å; Y333-M337 WeakPolarHBondContact O-CG 3.31Å; Y333-M337 PolarHBondContact O-N 3.44Å; M337-Q339 PolarHBondContact O-N 3.23Å; M337-G340 PolarHBondContact O-N 2.9Å; M337-V342 HydrophobicContact CG-CG2 4.44Å
338A92.2Very high77.8Confident20 Ų2065 Ų6517%0.16538%0.384CS..Hα-helixtrans-66.7-24.6177.600000113.7L309 C314 L319 V334 T335 E336L309-A338 HydrophobicContact CD2-CB 3.78Å; C314-A338 HydrophobicContact CB-CB 4.15Å; L319-A338 HydrophobicContact CD1-CB 3.63Å; L319-A338 HydrophobicContact CD2-CB 4.35Å; V334-A338 PolarHBondContact O-N 3.03Å; V334-A338 VanDerWaalsContact O-N 3.07Å; T335-A338 PolarHBondContact O-N 2.9Å; E336-A338 PolarHBondContact O-N 3.4Å
339Q86.8Confident75Confident131 Ų13162.4 Ų62.461%0.61238%0.384SS*.Hα-helixtrans-93.2-11.3179.5-68.7174.47.400113.1T335 E336 M337 T341T335-Q339 WeakPolarHBondContact O-CG 3.42Å; T335-Q339 PolarHBondContact O-N 3.47Å; E336-Q339 PolarHBondContact O-N 3.3Å; M337-Q339 PolarHBondContact O-N 3.23Å; Q339-T341 HydrophobicContact CB-CG2 4.09Å; Q339-T341 PolarHBondContact O-N 2.95Å
340G78.3Confident72.1Confident58 Ų5863.8 Ų63.860%0.59840%0.395SS*.THydrogen-bonded Turntrans65.213.5-172.500000114E336 M337 V342E336-G340 PolarHBondContact O-N 3.49Å; E336-G340 VanDerWaalsContact O-N 3.14Å; M337-G340 PolarHBondContact O-N 2.9Å; G340-V342 PolarHBondContact O-N 3.11Å
341T70.5Confident69.1Low68 Ų6864.9 Ų64.942%0.41742%0.418SS..  trans-83.216.8-177.746.30000113.4E336 Q339 G343E336-T341 PolarHBondContact O-N 2.92Å; Q339-T341 HydrophobicContact CB-CG2 4.09Å; Q339-T341 PolarHBondContact O-N 2.95Å; T341-G343 PolarHBondContact O-N 3.34Å; T341-G343 VanDerWaalsContact O-N 3.16Å
342V63.1Low66.1Low54 Ų5466.8 Ų66.833%0.32744%0.439SS..THydrogen-bonded Turntrans-65.7114-172.8179.50000110.5E336 M337 G340E336-V342 HydrophobicContact CG-CG2 3.94Å; E336-V342 VanDerWaalsContact OE1-CA 3.3Å; E336-V342 WeakPolarHBondContact OE1-CA 3.49Å; M337-V342 HydrophobicContact CG-CG2 4.44Å; G340-V342 PolarHBondContact O-N 3.11Å
343G58Low63Low38 Ų3869.7 Ų69.739%0.39246%0.455SS..THydrogen-bonded Turntrans120.1-6.5170.200000115.9E336 T341E336-G343 PolarHBondContact OE1-N 2.81Å; T341-G343 PolarHBondContact O-N 3.34Å; T341-G343 VanDerWaalsContact O-N 3.16Å
344G52.6Low60.1Low42 Ų4271.4 Ų71.443%0.43348%0.478SS..SBendtrans-94.8-33.3-178.800000115.7
345V50Low57.2Low84 Ų8479.8 Ų79.851%0.50952%0.523SS..THydrogen-bonded Turntrans-85.3-25.2-154.4-177.60000114.3
346F53.4Low54.4Low100 Ų10081.4 Ų81.444%0.43955%0.545SS..THydrogen-bonded Turntrans-93-11.1-173-47.6-75.7000114.3Q220 Y333 E336Q220-F346 VanDerWaalsContact NE2-CD2 3.27Å; Y333-F346 HydrophobicContact CE1-CZ 4.23Å; E336-F346 WeakPolarHBondContact OE1-CE2 3.36Å; E336-F346 WeakPolarHBondContact OE2-CE2 3.4Å; E336-F346 WeakPolarHBondContact OE2-CZ 3.46Å
347I46.4Very low51.7Low87 Ų8786.9 Ų86.945%0.44658%0.58SS.*THydrogen-bonded Turntrans-91.8-14.6-179.4-61.4171.3000111.2L213L213-I347 HydrophobicContact CD2-CD1 3.65Å; L213-I347 HydrophobicContact CD2-CG1 3.81Å; L213-I347 HydrophobicContact CD2-CG2 4.31Å
348T35.4Very low48.8Very low94 Ų9497.4 Ų97.458%0.57762%0.619SS**SBendtrans-112.852.9-172.760.50000113.4
349T37.3Very low46.1Very low124 Ų124106.2 Ų106.276%0.76165%0.654SS**SBendtrans-139.48.3172.242.90000116
350A36Very low43.5Very low109 Ų109105.6 Ų105.690%0.90166%0.664SS**SBendtrans-112.110.6176.500000115.3
351G33.6Very low41.3Very low72 Ų72107 Ų10774%0.74267%0.67SS**SBendtrans-147.95.5-175.500000117.8
352S30.4Very low39.8Very low109 Ų109108.6 Ų108.676%0.76268%0.684SS**  trans-116.768.5-177.1-62.70000111.7
353T29.6Very low38.4Very low143 Ų143113 Ų11388%0.87771%0.706SS**  trans-96.681.3157.453.10000108.8
354S35.2Very low37.5Very low109 Ų109119.6 Ų119.676%0.76273%0.731SS**  trans-149.992.3154.161.40000108.7
355N34.8Very low36.9Very low176 Ų176122.5 Ų122.594%0.94174%0.741SS**  trans-46.6136.8155.8-76.3-26.9000110
356G33Very low36.4Very low63 Ų63126.1 Ų126.165%0.64976%0.757SS**  trans131.7113.4146.200000115.8
357T35.5Very low35.5Very low133 Ų133125 Ų12582%0.81677%0.774SS**  trans80.594148.613.80000118.4
358R33.2Very low35.2Very low231 Ų231125 Ų12587%0.87279%0.787SS**  trans-8.6131133.6-70.9173.9-179.1159.40.3114
359F33.9Very low35.6Very low206 Ų206128.6 Ų128.690%0.90480%0.803SS**  -156.7125.3120.6-83.9-65.8000109.8
360S33.6Very low35.9Very low117 Ų117126.4 Ų126.482%0.81880%0.804SS**  trans-86.7154.2171.6-630000110.8
361A32.7Very low36.2Very low88 Ų88129.6 Ų129.673%0.72780%0.802SS**  trans80.3134.3139.800000121.3
362S37.9Very low36.7Very low102 Ų102133.7 Ų133.771%0.71381%0.807SS**  trans77.8113.8146.256.10000119.8
363D33.1Very low37.3Very low146 Ų146132.4 Ų132.478%0.78180%0.803SS**  48122.2125.8-60.8-32.1000118.5
364L40.5Very low37.6Very low176 Ų176131.7 Ų131.792%0.92180%0.798SS**  -163.2135.7126.4-96.9160.2000109.6
365T39.4Very low37.8Very low103 Ų103132.3 Ų132.363%0.63280%0.802SS**  trans-100.7175.2-161.150.40000112.8
366N38.8Very low37.9Very low161 Ų161129 Ų12986%0.86179%0.793SS**  trans83.2130.7158.7-56.5-19.7000116.5
367G34.2Very low38.3Very low76 Ų76133.9 Ų133.978%0.78480%0.804SS**  cis160.6144.43.200000108.4
368A41.8Very low38.4Very low87 Ų87131 Ų13172%0.71980%0.801SS**  trans-174.7133.9153.900000111.4
369D42.6Very low38.6Very low170 Ų170125.2 Ų125.291%0.90980%0.796SS**  trans80.6125.8152.3-56.1-29.6000121.6
370G44.2Very low38.9Very low77 Ų77124.6 Ų124.679%0.79480%0.796SS**  trans140.547.2152.700000120
371M42.3Very low39Very low176 Ų176129.8 Ų129.887%0.86780%0.799SS**  trans11114.3143.5-156.2139.9159.700119.5
372L44.9Very low39.4Very low158 Ų158131.5 Ų131.583%0.82781%0.806SS**  154.1117.9123.9-80.7164.7000115.3
373A41.4Very low39.3Very low82 Ų82130.7 Ų130.768%0.67881%0.813SS**  trans53.3102.2137.600000123
374T36.6Very low39.7Very low128 Ų128129.2 Ų129.279%0.78581%0.814SS**  39.6117.6123.5570000121
375S38.8Very low39.8Very low122 Ų122131.8 Ų131.885%0.85381%0.812SS**  154.5149.894.651.10000113.7
376S37.7Very low40.2Very low106 Ų106133 Ų13374%0.74182%0.819SS**  trans-55.5141.8-173.648.40000119.1
377N42Very low40.3Very low166 Ų166133.8 Ų133.889%0.88882%0.817SS**  trans178.4137.4130.2-100.35.5000106.3
378G37.2Very low40.5Very low72 Ų72136.5 Ų136.574%0.74282%0.819SS**  cis125.7120.348.600000106
379S37.8Very low40.8Very low110 Ų110138.4 Ų138.477%0.76982%0.824SS**  trans-55.5148.8-173620000114.7
380Q39.7Very low40.5Very low194 Ų194137 Ų13791%0.90782%0.821SS**  trans-169.8140.7132.6-105165.919.700113.1
381Y36Very low40.3Very low226 Ų226138.3 Ų138.389%0.88682%0.818SS**  trans-50.5145.1167.1-91.2-113.8000112.8
382S41.4Very low40.2Very low124 Ų124139.8 Ų139.887%0.86782%0.815SS**  trans-163.5131.1143.1-84.10000111.3
383G34.1Very low40.2Very low84 Ų84138.8 Ų138.887%0.86682%0.816SS**  trans-73.8145.9174.300000112.1
384S42.4Very low40.2Very low115 Ų115137.2 Ų137.280%0.80481%0.808SS**  trans-100.7109.1176.21670000109.5
385R42.8Very low40.6Very low231 Ų231139.7 Ų139.787%0.87281%0.81SS**PPolyproline II helixtrans-78.5125.3165.4-174.1176.9-174.7164.30.1107.8
386V47.5Very low40.8Very low128 Ų128141.1 Ų141.178%0.77681%0.808SS**PPolyproline II helixtrans-84.3120.6171.7174.60000107.9
387E41.9Very low41.4Very low177 Ų177144 Ų14483%0.82782%0.815SS**PPolyproline II helixtrans-83.6133.2167.9-72.8-177.4147.400110.1
388T36.9Very low41.6Very low134 Ų134144.4 Ų144.482%0.82281%0.812SS**PPolyproline II helixtrans-81.8137.3168.76.90000109.9
389P49.1Very low42.2Very low126 Ų126150.2 Ų150.282%0.81882%0.82SS**PPolyproline II helixtrans-80.4133.717518.9-9.5000111.8
390V36.4Very low42.7Very low141 Ų141151.9 Ų151.986%0.85582%0.82SS**PPolyproline II helixtrans-61.4132.3170.31650000110.8
391S39.4Very low43.2Very low105 Ų105150.1 Ų150.173%0.73482%0.817SS**PPolyproline II helixtrans-77.5125.8166.851.80000110.4
392Y41Very low43.8Very low206 Ų206146.2 Ų146.281%0.80881%0.812SS**PPolyproline II helixtrans-76.7127.4171.6-171.6-96.3000109.9
393V44.9Very low44.4Very low137 Ų137149.1 Ų149.183%0.8381%0.809SS**PPolyproline II helixtrans-91.6130.1167.9-144.60000106
394G41.1Very low45.3Very low50 Ų50151.4 Ų151.452%0.51580%0.801SS.*  trans-149.493.8-178.800000111.2
395E45.7Very low46.1Very low179 Ų179154.8 Ų154.884%0.83680%0.804SS**  trans64.6113.4140.8-63.9171.7171.500119.2
396D42.9Very low46.5Very low152 Ų152149.8 Ų149.881%0.81380%0.795SS**  trans-60.7137.2161.5-58.1-62.2000110.9
397D49Very low46.9Very low166 Ų166150.7 Ų150.789%0.88880%0.796SS**  trans-131.8104.9156.3-81.4-41.6000107.3
398E46.1Very low47.6Very low176 Ų176150.1 Ų150.182%0.82279%0.793SS**  trans-80.7122.4166.8-65.7179.8160.100108.3
399E50.2Low48.5Very low194 Ų194151 Ų15191%0.90779%0.792SS**  trans-129.1104.3159.5-79.3-173.1168.400108.7
400D49.2Very low49Very low144 Ų144156.6 Ų156.677%0.7782%0.815SS**  trans-63.9138.2163-69.4-50.3000110.1
401D48.9Very low49.6Very low157 Ų157157.4 Ų157.484%0.8481%0.813SS**  trans-151.2104.8149.2-97.8-32.5000109.5
402D49.8Very low50.1Low145 Ų145160.1 Ų160.178%0.77582%0.818SS**  trans-88.5119.1178.1-1585.1000107.9
403F53Low50.6Low185 Ų185157.6 Ų157.681%0.81182%0.818SS**  trans-134.397.4166-88.7-80.8000109.6
404N53.6Low51Low131 Ų131158.8 Ų158.870%0.70182%0.817SS**  trans-101.4108.6167.8-162.624.6000107.5
405E57.9Low51.6Low186 Ų186165.6 Ų165.687%0.86984%0.836SS**  trans-107.4102.1160.9-87.8-176166.700107.6
406N52.8Low52Low127 Ų127164.7 Ų164.768%0.67984%0.836SS**  trans-70.4146.1150.1-81.4-36.3000108.2
407D55Low52.6Low147 Ų147165.6 Ų165.679%0.78684%0.838SS**  trans159.9136.5148.4-79-16.7000104.8
408E56.4Low52.9Low165 Ų165165.5 Ų165.577%0.77183%0.834SS**  cis-168.5146.20.1-101.6176.3157.400103.9
409D56.6Low53.5Low151 Ų151164.7 Ų164.781%0.80784%0.835SS**  trans5.8117.6152.6-56.1-43.2000120.7
410D58.2Low53.8Low244 Ų244162 Ų162100%1.30583%0.829SS**  -174.50115-111.8-16.2000112

Retrieved 410 of 410 residues in 1201.1 ms (Link to these results)