A0A077ZCN4_TRITR Loading...

Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low42.1Very low241 Ų241161.7 Ų161.7100%1.18787%0.866SS**  0108.90-71.5169.3132.900108S3M1-S3 PolarHBondContact O-N 2.93Å
2N35.8Very low42.4Very low178 Ų178159.4 Ų159.495%0.95285%0.846SS**  trans-76.2102.1178.5-70.8-31.1000109.1A4N2-A4 PolarHBondContact O-N 3.21Å
3S39.4Very low42.7Very low116 Ų116156.6 Ų156.681%0.81183%0.829SS**  trans-94.390.8179.7-1660000111.1M1 H5M1-S3 PolarHBondContact O-N 2.93Å; S3-H5 PolarHBondContact O-N 3.1Å
4A44.2Very low43.2Very low86 Ų86150.1 Ų150.171%0.71180%0.802SS**  trans25.186.9147.700000118.8N2 G6N2-A4 PolarHBondContact O-N 3.21Å; A4-G6 PolarHBondContact O-N 3.35Å
5H43.3Very low43.5Very low208 Ų208146.2 Ų146.296%0.96378%0.782SS**  trans-62.2112.7144.4-84.4-66.4000109.2S3S3-H5 PolarHBondContact O-N 3.1Å
6G37.9Very low43.7Very low69 Ų69144.9 Ų144.971%0.71177%0.774SS**  trans-180-10.9174.200000117.9A4 A8A4-G6 PolarHBondContact O-N 3.35Å; G6-A8 PolarHBondContact O-N 3.07Å
7V43Very low44Very low147 Ų147145.8 Ų145.889%0.89177%0.769SS**SBendtrans-102.359.4-173.3-1650000112
8A47.1Very low44Very low91 Ų91146.6 Ų146.675%0.75277%0.766SS**SBendtrans-138.7-18.7170.800000115.3G6G6-A8 PolarHBondContact O-N 3.07Å
9K48.9Very low44.7Very low203 Ų203142.3 Ų142.388%0.88375%0.749SS**THydrogen-bonded Turntrans-954.4-175.2-149.7168.9-176.81770115.3
10R45Very low44.7Very low225 Ų225140.9 Ų140.985%0.84974%0.741SS**THydrogen-bonded Turntrans-89.6-8.2-179-157.2178.1-105.3-150.4-1.7114.2Q12R10-Q12 PolarHBondContact O-N 2.74Å
11R43.2Very low44.9Very low215 Ų215140.5 Ų140.581%0.81174%0.735SS**THydrogen-bonded Turntrans-88.319-173.3-70.9-171.3178.9169.90.2116.4
12Q46.4Very low45.5Very low134 Ų134132.5 Ų132.563%0.62670%0.703SS**THydrogen-bonded Turntrans-1241.8179.8-73.1-86.8-80.800114.7R10 D15R10-Q12 PolarHBondContact O-N 2.74Å; Q12-D15 PolarHBondContact NE2-OD2 2.65Å
13I46.4Very low46.1Very low123 Ų123129.2 Ų129.263%0.63168%0.684SS**Hα-helixtrans-87.2-27.3175.9-62.1174000111.4K17I13-K17 PolarHBondContact O-N 2.9Å
14S48.8Very low46.6Very low65 Ų65129.4 Ų129.446%0.45568%0.675SS.*Hα-helixtrans-67.4-34.4175.946.20000112.7L16 K17 F18S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.81Å; S14-K17 PolarHBondContact O-N 3.22Å; S14-F18 PolarHBondContact O-N 2.97Å
15D48Very low46.9Very low92 Ų92130.2 Ų130.249%0.49267%0.668SS.*Hα-helixtrans-73.7-27.2-176-57.5-14.3000111.7Q12Q12-D15 PolarHBondContact NE2-OD2 2.65Å
16L46.1Very low46.9Very low126 Ų126122.6 Ų122.666%0.6665%0.645SS**Hα-helixtrans-77-27.2173-87.3134.7000113.1S14 S19S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 2.81Å; L16-S19 PolarHBondContact O-N 3.21Å
17K49.5Very low47.3Very low160 Ų160123.6 Ų123.670%0.69664%0.635SS**Hα-helixtrans-70.8-34.5173.3-78.9-157.9175.1-166.50112.1I13 S14 S19I13-K17 PolarHBondContact O-N 2.9Å; S14-K17 PolarHBondContact O-N 3.22Å; K17-S19 PolarHBondContact O-N 2.99Å
18F43.7Very low47.6Very low160 Ų160123 Ų12370%0.70262%0.62SS**Hα-helixtrans-69.7-17.2174.8-97.6-84.1000114.2S14 S22S14-F18 PolarHBondContact O-N 2.97Å; F18-S22 PolarHBondContact O-OG 2.89Å
19S58.6Low47.5Very low64 Ų64125.7 Ų125.745%0.44862%0.617SS.*Hα-helixtrans-85.4-13.4-179.1-168.40000114.6L16 K17 S22 I23L16-S19 PolarHBondContact O-N 3.21Å; K17-S19 PolarHBondContact O-N 2.99Å; S19-S22 PolarHBondContact O-OG 3.04Å; S19-I23 WeakPolarHBondContact O-CD1 3.25Å
20I43.4Very low47.5Very low115 Ų115122.8 Ų122.859%0.5961%0.607SS**Hα-helixtrans-96.7-34.9-179-62.7178.4000111.2I23I20-I23 PolarHBondContact O-N 3.38Å
21E50Low47.6Very low132 Ų132118.2 Ų118.262%0.61760%0.595SS**Hα-helixtrans-69.7-32.3176.8-73.8-179169.200112.3I23 L24 D25E21-I23 PolarHBondContact O-N 2.88Å; E21-L24 PolarHBondContact O-N 3.07Å; E21-L24 VanDerWaalsContact O-N 3.09Å; E21-D25 PolarHBondContact O-N 2.82Å; E21-D25 VanDerWaalsContact O-N 3.11Å
22S47.4Very low47.8Very low73 Ų73114.9 Ų114.951%0.5159%0.588SS.*Hα-helixtrans-67-21.3175.360.40000114.1F18 S19 G26F18-S22 PolarHBondContact O-OG 2.89Å; S19-S22 PolarHBondContact O-OG 3.04Å; S22-G26 PolarHBondContact O-N 3.34Å
23I48.5Very low47.6Very low109 Ų109116.4 Ų116.456%0.55960%0.596SS**Hα-helixtrans-82.5-24.2175-61.5174.6000111.3S19 I20 E21S19-I23 WeakPolarHBondContact O-CD1 3.25Å; I20-I23 PolarHBondContact O-N 3.38Å; E21-I23 PolarHBondContact O-N 2.88Å
24L50Low47.6Very low120 Ų120120.4 Ų120.463%0.62860%0.603SS**Hα-helixtrans-84-30.2176.2-71.1170.7000112.4E21E21-L24 PolarHBondContact O-N 3.07Å; E21-L24 VanDerWaalsContact O-N 3.09Å
25D49.2Very low47.3Very low103 Ų103124 Ų12455%0.55162%0.616SS**Hα-helixtrans-79.7-31174.3-75.7-28.5000113.2E21 N27 K28E21-D25 PolarHBondContact O-N 2.82Å; E21-D25 VanDerWaalsContact O-N 3.11Å; D25-N27 PolarHBondContact O-N 3.24Å; D25-K28 PolarHBondContact O-N 3.37Å; D25-K28 VanDerWaalsContact O-N 3.15Å
26G44Very low47.1Very low48 Ų48125.8 Ų125.850%0.49563%0.63SS.*Hα-helixtrans-61-26.3175.600000114.1S22S22-G26 PolarHBondContact O-N 3.34Å
27N46.8Very low46.9Very low90 Ų90123.3 Ų123.348%0.48163%0.629SS.*Hα-helixtrans-83.9-20.1177.8-82.9-39.3000114D25 Q31D25-N27 PolarHBondContact O-N 3.24Å; N27-Q31 WeakPolarHBondContact O-CB 3.5Å; N27-Q31 PolarHBondContact O-N 2.65Å
28K48.8Very low46.9Very low134 Ų134122.1 Ų122.158%0.58364%0.635SS**Hα-helixtrans-69.6-34.6178.6-84.1-176.3177.81740112.7D25 Q31 Q32D25-K28 PolarHBondContact O-N 3.37Å; D25-K28 VanDerWaalsContact O-N 3.15Å; K28-Q31 PolarHBondContact O-N 2.68Å; K28-Q32 PolarHBondContact O-N 3.36Å
29Q46Very low46.9Very low149 Ų149121.7 Ų121.770%0.69664%0.639SS**Hα-helixtrans-75.7-33.5178.1-67.2-169.6-10.200112.5Q31Q29-Q31 VanDerWaalsContact C-N 3.35Å
30Q48.3Very low46.4Very low141 Ų141122.3 Ų122.366%0.65964%0.641SS**Hα-helixtrans-71.6-28.9170.4-99.1179.813.800112.8Q33 R34Q30-Q33 PolarHBondContact O-N 2.84Å; Q30-R34 PolarHBondContact O-N 2.83Å
31Q47.6Very low46.3Very low129 Ų129124.9 Ų124.960%0.60365%0.651SS**Hα-helixtrans-66.8-38.5173.9-113.5161.48.600112.4N27 K28 Q29 Q33 R34 L35N27-Q31 WeakPolarHBondContact O-CB 3.5Å; N27-Q31 PolarHBondContact O-N 2.65Å; K28-Q31 PolarHBondContact O-N 2.68Å; Q29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-Q33 VanDerWaalsContact C-N 3.31Å; Q31-Q33 PolarHBondContact O-N 3.34Å; Q31-R34 PolarHBondContact O-N 3.03Å; Q31-R34 VanDerWaalsContact O-N 3.13Å; Q31-L35 WeakPolarHBondContact O-CG 3.03Å; Q31-L35 PolarHBondContact O-N 2.98Å
32Q46.6Very low45.9Very low145 Ų145128.3 Ų128.368%0.67866%0.658SS**Hα-helixtrans-65.9-31.2177.7-76.6170.414.200113.3K28 R34K28-Q32 PolarHBondContact O-N 3.36Å; Q32-R34 VanDerWaalsContact C-N 3.27Å; Q32-R34 PolarHBondContact O-N 3.11Å
33Q42.9Very low45.5Very low166 Ų166126.6 Ų126.678%0.77665%0.646SS**Hα-helixtrans-77.5-9.5175.9-63.4-17525.800113.8Q30 Q31Q30-Q33 PolarHBondContact O-N 2.84Å; Q31-Q33 VanDerWaalsContact C-N 3.31Å; Q31-Q33 PolarHBondContact O-N 3.34Å
34R46.5Very low45.5Very low208 Ų208128.3 Ų128.379%0.78567%0.665SS**Hα-helixtrans-101.2-4.9176.9-154.1177.3-171.1-133.70.6113.9Q30 Q31 Q32 T36 A37Q30-R34 PolarHBondContact O-N 2.83Å; Q31-R34 PolarHBondContact O-N 3.03Å; Q31-R34 VanDerWaalsContact O-N 3.13Å; Q32-R34 VanDerWaalsContact C-N 3.27Å; Q32-R34 PolarHBondContact O-N 3.11Å; R34-T36 VanDerWaalsContact C-N 3.26Å; R34-T36 PolarHBondContact O-N 3Å; R34-A37 PolarHBondContact O-N 2.64Å
35L40.9Very low46.1Very low140 Ų140127.9 Ų127.973%0.73367%0.667SS**THydrogen-bonded Turntrans-82.412.7-175.3-71.8175.4000115.3Q31Q31-L35 WeakPolarHBondContact O-CG 3.03Å; Q31-L35 PolarHBondContact O-N 2.98Å
36T45.2Very low46Very low129 Ų129125.5 Ų125.579%0.79167%0.667SS**THydrogen-bonded Turntrans-100.817.216659.10000113.2R34 T38R34-T36 VanDerWaalsContact C-N 3.26Å; R34-T36 PolarHBondContact O-N 3Å; T36-T38 PolarHBondContact O-N 2.94Å
37A42.4Very low46.8Very low75 Ų75131.4 Ų131.462%0.6268%0.676SS**  trans-71.696.316500000108.7R34 L39R34-A37 PolarHBondContact O-N 2.64Å; A37-L39 PolarHBondContact O-N 3.19Å
38T48.4Very low47.1Very low134 Ų134133.2 Ų133.282%0.82268%0.684SS**  trans-43.1116.2166.5-60.90000108.7T36T36-T38 PolarHBondContact O-N 2.94Å
39L44.3Very low46.9Very low152 Ų152133.9 Ų133.980%0.79669%0.693SS**PPolyproline II helixtrans-57129.7177.9-73.6169.7000108.4A37 Q41A37-L39 PolarHBondContact O-N 3.19Å; L39-Q41 PolarHBondContact O-N 3.16Å
40P48Very low47.1Very low76 Ų76132.3 Ų132.349%0.49470%0.696SS.*PPolyproline II helixtrans-53.5118.2175.3-24.532.8000109.4W42 L48P40-W42 PolarHBondContact O-N 3.19Å; P40-W42 PolarHBondContact O-NE1 2.76Å; P40-L48 HydrophobicContact CB-CD1 3.99Å
41Q40.1Very low46.9Very low170 Ų170133.4 Ų133.479%0.79471%0.706SS**PPolyproline II helixtrans-70.8117.7173.8-173.4-168.8-14.600107.8L39 S43L39-Q41 PolarHBondContact O-N 3.16Å; Q41-S43 PolarHBondContact O-N 3.22Å
42W43.1Very low46.6Very low204 Ų204136.4 Ų136.477%0.77372%0.72SS**PPolyproline II helixtrans-72.9124.2172.5-51.565.2000106.8P40P40-W42 PolarHBondContact O-N 3.19Å; P40-W42 PolarHBondContact O-NE1 2.76Å
43S37.4Very low46.2Very low36 Ų36138.6 Ų138.625%0.25273%0.727SS.*PPolyproline II helixtrans-66.8156.3162.273.90000108.8Q41 T45 G46Q41-S43 PolarHBondContact O-N 3.22Å; S43-T45 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact OG-N 3.47Å; S43-T45 PolarHBondContact OG-OG1 3Å; S43-G46 PolarHBondContact O-N 2.83Å
44P49.9Very low46Very low146 Ų146137.1 Ų137.195%0.94873%0.729SS**THydrogen-bonded Turntrans-55-14.7174.7-27.735.9000114.7
45T61.3Low45.7Very low110 Ų110134 Ų13468%0.67573%0.728SS**THydrogen-bonded Turntrans-100.16.5177.134.60000114.8S43 Y47S43-T45 PolarHBondContact O-N 3.37Å; S43-T45 PolarHBondContact OG-N 3.47Å; S43-T45 PolarHBondContact OG-OG1 3Å; T45-Y47 VanDerWaalsContact O-CD2 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.16Å; T45-Y47 WeakPolarHBondContact O-CE2 3.43Å; T45-Y47 PolarHBondContact O-N 3.31Å
46G47.2Very low45.5Very low54 Ų54133.9 Ų133.956%0.55773%0.729SS**  trans74.922.3167.700000116.1S43S43-G46 PolarHBondContact O-N 2.83Å
47Y61.3Low44.9Very low172 Ų172138 Ų13868%0.67574%0.736SS**PPolyproline II helixtrans-103.4139.1176-68.1-82.9000112.2T45T45-Y47 VanDerWaalsContact O-CD2 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.16Å; T45-Y47 WeakPolarHBondContact O-CE2 3.43Å; T45-Y47 PolarHBondContact O-N 3.31Å
48L53.2Low44.5Very low127 Ų127141.3 Ų141.367%0.66574%0.743SS**PPolyproline II helixtrans-84.4123.8179-14176.8000109.8P40 P50P40-L48 HydrophobicContact CB-CD1 3.99Å; L48-P50 WeakPolarHBondContact O-CD 3.37Å
49I43.8Very low43.9Very low148 Ų148143.2 Ų143.276%0.75974%0.743SS**PPolyproline II helixtrans-79.8117.9174.4-58.9178000108.5
50P50.6Low43.5Very low116 Ų116143 Ų14375%0.75374%0.736SS**PPolyproline II helixtrans-74.1134.8-177.3-18.333.4000113.4L48L48-P50 WeakPolarHBondContact O-CD 3.37Å
51D43.7Very low43.1Very low165 Ų165147.7 Ų147.788%0.88276%0.755SS**PPolyproline II helixtrans-79.5128.9-179.7-130.9-36.7000111.9K53D51-K53 PolarHBondContact O-N 3.03Å; D51-K53 VanDerWaalsContact O-N 3.14Å
52Q41Very low42.6Very low192 Ų192148.7 Ų148.790%0.89775%0.753SS**  trans-81.584.8180-82.7-161.5-67.600111.4
53K39.5Very low42.2Very low190 Ų190148.8 Ų148.883%0.82676%0.759SS**  trans-153.383.7157.5-147.6170.9-174.3174.60111.8D51D51-K53 PolarHBondContact O-N 3.03Å; D51-K53 VanDerWaalsContact O-N 3.14Å
54V37.7Very low42.1Very low135 Ų135150 Ų15082%0.81878%0.777SS**  trans-111122.9166-73.70000108.4
55N40.7Very low41.3Very low143 Ų143152.3 Ų152.377%0.76577%0.772SS**  trans-137.397.6160.8-81.1-35.4000106.7
56D37Very low40.1Very low138 Ų138155.1 Ų155.174%0.73878%0.782SS**  trans3690.7136.6-54.6-23.1000119.2
57F33.5Very low39.4Very low214 Ų214156.1 Ų156.194%0.93979%0.793SS**SBend-161.1119.1125.5-130.3-101.1000109.3
58N32.1Very low38.1Very low146 Ų146153.3 Ų153.378%0.78181%0.805SS**  trans10149.5178-142.92.3000117K60N58-K60 VanDerWaalsContact C-N 3.26Å; N58-K60 PolarHBondContact O-N 3.28Å; N58-K60 VanDerWaalsContact O-N 3.1Å
59E37.2Very low37.2Very low174 Ų174150.1 Ų150.181%0.81380%0.803SS**  trans-7375.6154.8-161.2-170.4-168.600109.4
60K34.7Very low37Very low148 Ų148150.5 Ų150.564%0.64381%0.807SS**  trans-152.844.2167.2-126.9172.3-170.1178.30114.3N58 Y62N58-K60 VanDerWaalsContact C-N 3.26Å; N58-K60 PolarHBondContact O-N 3.28Å; N58-K60 VanDerWaalsContact O-N 3.1Å; K60-Y62 HydrophobicContact CG-CD2 4.36Å; K60-Y62 HydrophobicContact CG-CE2 3.79Å
61L39.6Very low36.7Very low174 Ų174153.3 Ų153.391%0.91182%0.815SS**SBendtrans-122.590.9150.2-74.5175.3000107.8F63L61-F63 PolarHBondContact O-N 3.23Å; L61-F63 VanDerWaalsContact O-N 3.12Å
62Y30.1Very low36.6Very low191 Ų191156.4 Ų156.475%0.74982%0.815SS**  trans-52.1107.6175.5-75.2-100.7000111.2K60K60-Y62 HydrophobicContact CG-CD2 4.36Å; K60-Y62 HydrophobicContact CG-CE2 3.79Å
63F35.3Very low37.2Very low206 Ų206151.5 Ų151.590%0.90481%0.807SS**  trans-80.2115.7135.4-97.8-93.4000106.2L61 K65L61-F63 PolarHBondContact O-N 3.23Å; L61-F63 VanDerWaalsContact O-N 3.12Å; F63-K65 PolarHBondContact O-N 3.17Å
64G34.6Very low38.1Very low61 Ų61151.9 Ų151.963%0.62981%0.809SS**  trans-53121.4-175.100000111.8L66G64-L66 PolarHBondContact O-N 3.06Å
65K34.2Very low39.1Very low194 Ų194150.4 Ų150.484%0.84380%0.802SS**  trans-56.695.3164.4-80.2173.5173.4172.20108.7F63F63-K65 PolarHBondContact O-N 3.17Å
66L36.3Very low40.4Very low169 Ų169147.2 Ų147.289%0.88579%0.789SS**PPolyproline II helixtrans-81.6133.1154.1-64-178.5000107.1G64G64-L66 PolarHBondContact O-N 3.06Å
67G31.7Very low42.2Very low75 Ų75145.8 Ų145.877%0.77379%0.788SS**PPolyproline II helixtrans-52.8151.1-161.600000116G69G67-G69 PolarHBondContact O-N 3.17Å
68A34.5Very low44.4Very low113 Ų113139.2 Ų139.293%0.93476%0.762SS**PPolyproline II helixtrans-50.4127.9169.200000111.8
69G34Very low46.4Very low61 Ų61134.5 Ų134.563%0.62974%0.739SS**  trans160.989.2171.900000112.8G67G67-G69 PolarHBondContact O-N 3.17Å
70N40.2Very low48.3Very low155 Ų155130.6 Ų130.683%0.82973%0.726SS**SBendtrans72.5126175.6-56.5-19.4000115.5R72N70-R72 VanDerWaalsContact C-N 3.26Å; N70-R72 PolarHBondContact O-N 2.83Å
71N43.7Very low50Low175 Ų175123.9 Ų123.994%0.93670%0.698SS**  trans-51.179174.7-60.1-68.4000112.2A73N71-A73 VanDerWaalsContact C-N 3.32Å; N71-A73 PolarHBondContact O-N 3.48Å; N71-A73 VanDerWaalsContact O-N 3.1Å
72R40.6Very low51.4Low231 Ų231117.9 Ų117.987%0.87267%0.67SS**  trans-7794.4161.2-73.9-169.3-157.7-143.73.8106.1N70 F74N70-R72 VanDerWaalsContact C-N 3.26Å; N70-R72 PolarHBondContact O-N 2.83Å; R72-F74 PolarHBondContact O-N 3.29Å
73A54.1Low53.2Low89 Ų89112.5 Ų112.574%0.73665%0.649SS**  trans-44.6127.5165.700000108.6N71N71-A73 VanDerWaalsContact C-N 3.32Å; N71-A73 PolarHBondContact O-N 3.48Å; N71-A73 VanDerWaalsContact O-N 3.1Å
74F57.8Low54.6Low197 Ų197110.1 Ų110.186%0.86465%0.646SS**PPolyproline II helixtrans-51.2127.2177.9-71.2-87.6000108.9R72R72-F74 PolarHBondContact O-N 3.29Å
75P59.9Low55.8Low104 Ų104112.5 Ų112.568%0.67564%0.636SS**PPolyproline II helixtrans-60.9143.9177.825-32.3000109.3
76P68Low57.1Low76 Ų76104.2 Ų104.249%0.49460%0.6SS.*PPolyproline II helixtrans-56.5149.2178.524.5-34.1000110.6N78 A110P76-N78 PolarHBondContact O-N 3.29Å; P76-A110 VanDerWaalsContact O-CB 3.27Å; P76-A110 WeakPolarHBondContact O-CB 3.49Å
77P75.2Confident57.9Low108 Ų10899.8 Ų99.870%0.70158%0.583SS**SBendtrans-62.7-19.9-177.325.3-34.6000113A110P77-A110 PolarHBondContact O-N 3.28Å
78N78.3Confident58.5Low76 Ų76103 Ų10341%0.40659%0.588SS.*EExtended strand (participates in β ladder)trans-133.7151177.7-54.2-68.1000110.5P76 T107 V108 P109P76-N78 PolarHBondContact O-N 3.29Å; N78-T107 HydrophobicContact CB-CG2 3.47Å; N78-T107 VanDerWaalsContact CB-CG2 3.47Å; N78-V108 CarbonylContact C-O 3.45Å; N78-V108 WeakPolarHBondContact CA-O 3.41Å; N78-V108 WeakPolarHBondContact CB-O 3.45Å; N78-P109 WeakPolarHBondContact OD1-CA 3.4Å
79V74.6Confident59.1Low47 Ų47101.3 Ų101.329%0.28556%0.562SS.*EExtended strand (participates in β ladder)trans-124.6141.1176.7-179.70000108.8V81 V108 A110V79-V81 HydrophobicContact CG1-CG2 4.12Å; V79-V108 PolarHBondContact N-O 2.93Å; V79-V108 PolarHBondContact O-N 3.19Å; V79-A110 HydrophobicContact CG2-CB 4.03Å
80V76.6Confident59.5Low92 Ų92102.5 Ų102.556%0.55856%0.561SS**EExtended strand (participates in β ladder)trans-85.3121.2173-178.40000108.6V105 L106V80-V105 HydrophobicContact CG1-CB 3.68Å; V80-V105 HydrophobicContact CG1-CG1 4.18Å; V80-V105 HydrophobicContact CG1-CG2 4.12Å; V80-L106 CarbonylContact C-O 3.32Å; V80-L106 WeakPolarHBondContact CA-O 3.34Å
81V70.1Confident59.9Low8 Ų8100.3 Ų100.35%0.04856%0.558CS.*EExtended strand (participates in β ladder)trans-124.6137.6-179.3-1760000109.8V79 R85 V105 L106 V108 V120V79-V81 HydrophobicContact CG1-CG2 4.12Å; V81-R85 HydrophobicContact CG1-CB 3.77Å; V81-V105 CarbonylContact O-C 3.48Å; V81-V105 WeakPolarHBondContact O-CA 3.19Å; V81-L106 PolarHBondContact N-O 2.94Å; V81-L106 PolarHBondContact O-N 2.93Å; V81-V108 HydrophobicContact CG2-CG2 3.95Å; V81-V120 HydrophobicContact CB-CG1 4.19Å; V81-V120 HydrophobicContact CG1-CG1 3.93Å; V81-V120 HydrophobicContact CG2-CG1 3.91Å
82S70.5Confident60Low47 Ų4796.6 Ų96.633%0.32955%0.546SS..EExtended strand (participates in β ladder)trans-60.6139.4173.7-60.90000111.7D84 R85 S104S82-D84 PolarHBondContact O-N 3.44Å; S82-R85 WeakPolarHBondContact O-CB 3.5Å; S82-R85 PolarHBondContact O-N 3.39Å; S82-S104 CarbonylContact C-O 3.59Å; S82-S104 VanDerWaalsContact CA-O 3.29Å; S82-S104 WeakPolarHBondContact CA-O 3.43Å
83R66.6Low60.5Low79 Ų7993.4 Ų93.430%0.29854%0.539SS..G310 helixtrans-57.4-35.9-179.8-171.2171.1175.9105.21112.3R85 L86 L100 N101 A103 S104R83-R85 PolarHBondContact O-N 3.34Å; R83-R85 VanDerWaalsContact O-N 3.16Å; R83-L86 HydrophobicContact CG-CD1 4.07Å; R83-L86 WeakPolarHBondContact O-CB 3.35Å; R83-L86 WeakPolarHBondContact O-CG 3.45Å; R83-L86 PolarHBondContact O-N 2.89Å; R83-L100 PolarHBondContact NH1-O 3.09Å; R83-L100 VanDerWaalsContact NH1-O 3.12Å; R83-N101 VanDerWaalsContact CZ-O 3.29Å; R83-N101 PolarHBondContact NH1-O 3Å; R83-A103 VanDerWaalsContact CD-O 3.31Å; R83-A103 WeakPolarHBondContact CD-O 3.47Å; R83-S104 PolarHBondContact N-O 3.01Å
84D64.5Low60.3Low156 Ų15691.7 Ų91.783%0.83452%0.516SS*.G310 helixtrans-65.9-15177.2-50.5-38.6000113.6S82S82-D84 PolarHBondContact O-N 3.44Å
85R60.3Low60.2Low111 Ų11188.4 Ų88.442%0.41952%0.517SS..G310 helixtrans-93.4-7.8174.9-62.3-173.4-173.8-142.4-2.6113.3V81 S82 R83 C87 G117V81-R85 HydrophobicContact CG1-CB 3.77Å; S82-R85 WeakPolarHBondContact O-CB 3.5Å; S82-R85 PolarHBondContact O-N 3.39Å; R83-R85 PolarHBondContact O-N 3.34Å; R83-R85 VanDerWaalsContact O-N 3.16Å; R85-C87 PolarHBondContact O-N 3.28Å; R85-G117 WeakPolarHBondContact CD-O 3.3Å; R85-G117 PolarHBondContact NH1-O 3.5Å
86L61.4Low59.7Low20 Ų2085.3 Ų85.311%0.10549%0.494CS..SBendtrans-73106164.1-47.9169.2000105.3R83 T88 L106 V120 F122R83-L86 HydrophobicContact CG-CD1 4.07Å; R83-L86 WeakPolarHBondContact O-CB 3.35Å; R83-L86 WeakPolarHBondContact O-CG 3.45Å; R83-L86 PolarHBondContact O-N 2.89Å; L86-T88 PolarHBondContact O-N 2.87Å; L86-T88 VanDerWaalsContact O-N 3.16Å; L86-L106 HydrophobicContact CD1-CD1 3.34Å; L86-L106 HydrophobicContact CD1-CG 4.21Å; L86-V120 HydrophobicContact CB-CG2 4.22Å; L86-V120 HydrophobicContact CD2-CB 4.35Å; L86-V120 HydrophobicContact CD2-CG1 4.17Å; L86-V120 HydrophobicContact CD2-CG2 3.42Å; L86-V120 VanDerWaalsContact CD2-CG2 3.42Å; L86-V120 HydrophobicContact CG-CG2 4.33Å; L86-F122 HydrophobicContact CD2-CE2 4.14Å
87C53.6Low59Low76 Ų7685.3 Ų85.351%0.51449%0.494SS..  trans-45.4131.2170-69.10000107.8R85 L89R85-C87 PolarHBondContact O-N 3.28Å; C87-L89 PolarHBondContact O-N 3.01Å
88T44.3Very low57.8Low143 Ų14387.8 Ų87.888%0.87750%0.498SS*.  trans-64.761.4-176.248.90000111.1L86 S90L86-T88 PolarHBondContact O-N 2.87Å; L86-T88 VanDerWaalsContact O-N 3.16Å; T88-S90 VanDerWaalsContact C-N 3.35Å; T88-S90 PolarHBondContact O-N 3.2Å
89L46.8Very low56.7Low76 Ų7691.1 Ų91.140%0.39851%0.511SS..  trans-66.1105.7162-68173000104.5C87 S91 F122C87-L89 PolarHBondContact O-N 3.01Å; L89-S91 PolarHBondContact O-N 3.48Å; L89-F122 HydrophobicContact CD1-CB 4.12Å
90S42.4Very low55.8Low87 Ų8791 Ų9161%0.60851%0.508SS*.  trans-21.6125.8167.6-177.60000111.2T88 S92T88-S90 VanDerWaalsContact C-N 3.35Å; T88-S90 PolarHBondContact O-N 3.2Å; S90-S92 PolarHBondContact O-N 2.85Å
91S48.7Very low54.9Low108 Ų10890.2 Ų90.276%0.75550%0.501SS*.THydrogen-bonded Turntrans-52.52.9-161.860.90000117.8L89L89-S91 PolarHBondContact O-N 3.48Å
92S46.4Very low54.4Low98 Ų9896.6 Ų96.669%0.68554%0.535SS*.THydrogen-bonded Turntrans-83-20.8-173.5-40.10000114.5S90S90-S92 PolarHBondContact O-N 2.85Å
93F51Low54.2Low164 Ų16495.5 Ų95.572%0.71953%0.529SS*.SBendtrans-97.1-21.8-177.4-67.3-72.3000114.1C95F93-C95 PolarHBondContact O-N 2.75Å
94L50.4Low54.4Low52 Ų5296.1 Ų96.127%0.27255%0.546SS..  trans-95.190.4177.1-61.1-179000108.2L96 F122L94-L96 HydrophobicContact CB-CD1 4.21Å; L94-L96 HydrophobicContact CB-CG 4.04Å; L94-L96 HydrophobicContact CD1-CD1 4.36Å; L94-L96 PolarHBondContact O-N 2.95Å; L94-F122 HydrophobicContact CD2-CD1 3.77Å; L94-F122 HydrophobicContact CD2-CE1 3.98Å
95C54.9Low54.8Low129 Ų12992.3 Ų92.387%0.87253%0.527SS*.  trans-68.573.5157.9-169.40000107.5F93F93-C95 PolarHBondContact O-N 2.75Å
96L49.4Very low55.4Low39 Ų3987.4 Ų87.420%0.20451%0.51CS..  trans-68.3132.3167.6-73.7162.9000106.6L94 M98 L106L94-L96 HydrophobicContact CB-CD1 4.21Å; L94-L96 HydrophobicContact CB-CG 4.04Å; L94-L96 HydrophobicContact CD1-CD1 4.36Å; L94-L96 PolarHBondContact O-N 2.95Å; L96-M98 PolarHBondContact O-N 3.42Å; L96-L106 HydrophobicContact CD1-CD1 4.03Å; L96-L106 HydrophobicContact CD2-CD1 3.54Å; L96-L106 HydrophobicContact CG-CD1 4.46Å
97P52.5Low56Low75 Ų7591 Ų9149%0.48753%0.532SS..  trans-52.4132.4171.1-19.528.9000108.7H99 L100P97-H99 PolarHBondContact O-N 3.03Å; P97-L100 HydrophobicContact CB-CD1 4.25Å; P97-L100 HydrophobicContact CG-CD1 4.09Å; P97-L100 PolarHBondContact O-N 3.41Å
98M50.4Low57Low161 Ų16187.7 Ų87.779%0.79351%0.51SS*.G310 helixtrans-54-23.3-168-66.9-147.973.700115L96 L100L96-M98 PolarHBondContact O-N 3.42Å; M98-L100 VanDerWaalsContact C-N 3.28Å; M98-L100 PolarHBondContact O-N 2.77Å
99H54.5Low58.4Low145 Ų14583.2 Ų83.267%0.67148%0.483SS*.G310 helixtrans-73.4-9.1178.686.7-84.3000115.2P97P97-H99 PolarHBondContact O-N 3.03Å
100L56.6Low59.6Low44 Ų4480.8 Ų80.823%0.2347%0.474CS..G310 helixtrans-105.66.7-179.1-75.1139.6000113.5R83 P97 M98 N102 A103 L106R83-L100 PolarHBondContact NH1-O 3.09Å; R83-L100 VanDerWaalsContact NH1-O 3.12Å; P97-L100 HydrophobicContact CB-CD1 4.25Å; P97-L100 HydrophobicContact CG-CD1 4.09Å; P97-L100 PolarHBondContact O-N 3.41Å; M98-L100 VanDerWaalsContact C-N 3.28Å; M98-L100 PolarHBondContact O-N 2.77Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.16Å; L100-A103 HydrophobicContact CD2-CB 4.07Å; L100-A103 PolarHBondContact O-N 3.13Å; L100-L106 HydrophobicContact CB-CD2 3.86Å; L100-L106 HydrophobicContact CD2-CD2 3.67Å; L100-L106 HydrophobicContact CG-CD2 4.32Å
101N58.3Low61.1Low76 Ų7684.6 Ų84.641%0.40648%0.475SS..THydrogen-bonded Turntrans-66.7-27.8-176.4-80.2-20.7000113.6R83R83-N101 VanDerWaalsContact CZ-O 3.29Å; R83-N101 PolarHBondContact NH1-O 3Å
102N60Low62Low143 Ų14379.5 Ų79.577%0.76544%0.44SS*.THydrogen-bonded Turntrans-100.4-0.5176.466.8-15.3000113.7L100 S104L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 3.16Å; N102-S104 PolarHBondContact O-N 2.84Å
103A65.4Low63Low23 Ų2376.2 Ų76.219%0.1942%0.417CS..  trans-73.6123.8-17800000110.6R83 L100 V105 L106R83-A103 VanDerWaalsContact CD-O 3.31Å; R83-A103 WeakPolarHBondContact CD-O 3.47Å; L100-A103 HydrophobicContact CD2-CB 4.07Å; L100-A103 PolarHBondContact O-N 3.13Å; A103-V105 PolarHBondContact O-N 3.2Å; A103-L106 HydrophobicContact CB-CD2 4.23Å
104S70.8Confident63.5Low93 Ų9370.1 Ų70.165%0.6539%0.393SS*.SBendtrans-68.4-14.1176.2-460000113.1S82 R83 N102S82-S104 CarbonylContact C-O 3.59Å; S82-S104 VanDerWaalsContact CA-O 3.29Å; S82-S104 WeakPolarHBondContact CA-O 3.43Å; R83-S104 PolarHBondContact N-O 3.01Å; N102-S104 PolarHBondContact O-N 2.84Å
105V73Confident64.1Low75 Ų7575 Ų7546%0.45542%0.42SS..EExtended strand (participates in β ladder)trans-135.7141.1178.7-69.60000110.7V80 V81 A103V80-V105 HydrophobicContact CG1-CB 3.68Å; V80-V105 HydrophobicContact CG1-CG1 4.18Å; V80-V105 HydrophobicContact CG1-CG2 4.12Å; V81-V105 CarbonylContact O-C 3.48Å; V81-V105 WeakPolarHBondContact O-CA 3.19Å; A103-V105 PolarHBondContact O-N 3.2Å
106L71.8Confident64.3Low8 Ų874.5 Ų74.54%0.04241%0.408CS..EExtended strand (participates in β ladder)trans-123.4143.1176.3-61.4-172.3000110.9V80 V81 L86 L96 L100 A103 V108V80-L106 CarbonylContact C-O 3.32Å; V80-L106 WeakPolarHBondContact CA-O 3.34Å; V81-L106 PolarHBondContact N-O 2.94Å; V81-L106 PolarHBondContact O-N 2.93Å; L86-L106 HydrophobicContact CD1-CD1 3.34Å; L86-L106 HydrophobicContact CD1-CG 4.21Å; L96-L106 HydrophobicContact CD1-CD1 4.03Å; L96-L106 HydrophobicContact CD2-CD1 3.54Å; L96-L106 HydrophobicContact CG-CD1 4.46Å; L100-L106 HydrophobicContact CB-CD2 3.86Å; L100-L106 HydrophobicContact CD2-CD2 3.67Å; L100-L106 HydrophobicContact CG-CD2 4.32Å; A103-L106 HydrophobicContact CB-CD2 4.23Å; L106-V108 HydrophobicContact CB-CG1 4.44Å
107T75.2Confident64.6Low95 Ų9574.2 Ų74.258%0.58342%0.415SS*.EExtended strand (participates in β ladder)trans-87.6114.6169.4-60.60000108.5N78N78-T107 HydrophobicContact CB-CG2 3.47Å; N78-T107 VanDerWaalsContact CB-CG2 3.47Å
108V74.7Confident64.6Low8 Ų877.8 Ų77.85%0.04842%0.423CS..EExtended strand (participates in β ladder)trans-116.2151.7177.1-60.40000109.9N78 V79 V81 L106 A110 A112 V120 F122N78-V108 CarbonylContact C-O 3.45Å; N78-V108 WeakPolarHBondContact CA-O 3.41Å; N78-V108 WeakPolarHBondContact CB-O 3.45Å; V79-V108 PolarHBondContact N-O 2.93Å; V79-V108 PolarHBondContact O-N 3.19Å; V81-V108 HydrophobicContact CG2-CG2 3.95Å; L106-V108 HydrophobicContact CB-CG1 4.44Å; V108-A110 PolarHBondContact O-N 3.09Å; V108-A112 HydrophobicContact CB-CB 4.38Å; V108-A112 HydrophobicContact CG2-CB 4.4Å; V108-V120 HydrophobicContact CG2-CG1 4.06Å; V108-F122 HydrophobicContact CB-CE2 4.31Å; V108-F122 HydrophobicContact CB-CZ 4.11Å; V108-F122 HydrophobicContact CG1-CE2 3.88Å; V108-F122 HydrophobicContact CG1-CZ 3.69Å
109P73.3Confident64.8Low48 Ų4873.1 Ų73.131%0.31240%0.403SS..EExtended strand (participates in β ladder)trans-53.3139.5171.9-24.333.8000110.7N78 W111 A112N78-P109 WeakPolarHBondContact OD1-CA 3.4Å; P109-W111 VanDerWaalsContact CB-CD1 3.4Å; P109-W111 HydrophobicContact CB-CD2 4.42Å; P109-W111 HydrophobicContact CB-CG 4.19Å; P109-W111 HydrophobicContact CB-CZ2 4.46Å; P109-W111 HydrophobicContact CG-CZ2 4.44Å; P109-W111 PolarHBondContact O-N 2.79Å; P109-W111 VanDerWaalsContact O-N 3.1Å; P109-A112 WeakPolarHBondContact O-CA 3.25Å; P109-A112 VanDerWaalsContact O-CB 3.29Å; P109-A112 WeakPolarHBondContact O-CB 3.42Å; P109-A112 PolarHBondContact O-N 2.73Å
110A72.4Confident65.1Low26 Ų2666.4 Ų66.422%0.21537%0.373CS..G310 helixtrans-57.7-31.6-17500000113P76 P77 V79 V108 A112 S113P76-A110 VanDerWaalsContact O-CB 3.27Å; P76-A110 WeakPolarHBondContact O-CB 3.49Å; P77-A110 PolarHBondContact O-N 3.28Å; V79-A110 HydrophobicContact CG2-CB 4.03Å; V108-A110 PolarHBondContact O-N 3.09Å; A110-A112 PolarHBondContact O-N 3.1Å; A110-S113 PolarHBondContact O-N 3.47Å
111W73.5Confident65.4Low166 Ų16665.3 Ų65.363%0.62937%0.37SS*.G310 helixtrans-64.8-18.1175.467.3-99.2000113.9P109 L125P109-W111 VanDerWaalsContact CB-CD1 3.4Å; P109-W111 HydrophobicContact CB-CD2 4.42Å; P109-W111 HydrophobicContact CB-CG 4.19Å; P109-W111 HydrophobicContact CB-CZ2 4.46Å; P109-W111 HydrophobicContact CG-CZ2 4.44Å; P109-W111 PolarHBondContact O-N 2.79Å; P109-W111 VanDerWaalsContact O-N 3.1Å; W111-L125 HydrophobicContact CH2-CD2 3.74Å; W111-L125 HydrophobicContact CH2-CG 4.35Å; W111-L125 HydrophobicContact CZ3-CD2 4.26Å
112A68.4Low65.3Low1 Ų163.6 Ų63.61%0.00836%0.359CS..G310 helixtrans-85.8-11.717400000112.5V108 P109 A110 V120 A121 F122V108-A112 HydrophobicContact CB-CB 4.38Å; V108-A112 HydrophobicContact CG2-CB 4.4Å; P109-A112 WeakPolarHBondContact O-CA 3.25Å; P109-A112 VanDerWaalsContact O-CB 3.29Å; P109-A112 WeakPolarHBondContact O-CB 3.42Å; P109-A112 PolarHBondContact O-N 2.73Å; A110-A112 PolarHBondContact O-N 3.1Å; A112-V120 CarbonylContact O-C 3.53Å; A112-V120 VanDerWaalsContact O-C 3.32Å; A112-V120 WeakPolarHBondContact O-CA 3.1Å; A112-V120 VanDerWaalsContact O-CB 3.27Å; A112-V120 WeakPolarHBondContact O-CB 3.48Å; A112-A121 PolarHBondContact O-N 2.88Å; A112-F122 HydrophobicContact CB-CE2 4.03Å; A112-F122 HydrophobicContact CB-CZ 4.06Å
113S66.3Low65Low29 Ų2961.2 Ų61.220%0.20335%0.353CS..BIsolated β-bridgetrans-95.5131.7176.1-169.60000110.6A110A110-S113 PolarHBondContact O-N 3.47Å
114T61.9Low64.3Low37 Ų3767.6 Ų67.623%0.22738%0.377CS..  trans-76.9150.4167.2-60.50000109.5D116 G117 T119T114-D116 HydrophobicContact CG2-CB 4.34Å; T114-D116 PolarHBondContact O-N 2.87Å; T114-G117 PolarHBondContact O-N 2.98Å; T114-G117 VanDerWaalsContact O-N 3.09Å; T114-T119 WeakPolarHBondContact CB-O 3.36Å; T114-T119 PolarHBondContact N-O 2.92Å; T114-T119 VanDerWaalsContact N-O 3.13Å
115D62.4Low63.4Low155 Ų15566.7 Ų66.783%0.82937%0.365SS*.THydrogen-bonded Turntrans-62-24.3-178.657.2-60.5000114G117D115-G117 PolarHBondContact O-N 3.42Å; D115-G117 VanDerWaalsContact O-N 3.1Å
116D59.8Low62.5Low117 Ų11764.9 Ų64.963%0.62635%0.354SS*.THydrogen-bonded Turntrans-66.6-7.9173.1-67.9-44.7000113.9T114 K118T114-D116 HydrophobicContact CG2-CB 4.34Å; T114-D116 PolarHBondContact O-N 2.87Å; D116-K118 PolarHBondContact O-N 3.45Å
117G55.6Low61.7Low34 Ų3468.5 Ų68.535%0.35138%0.377SS..SBendtrans61.3-3.5-17900000115R85 T114 D115R85-G117 WeakPolarHBondContact CD-O 3.3Å; R85-G117 PolarHBondContact NH1-O 3.5Å; T114-G117 PolarHBondContact O-N 2.98Å; T114-G117 VanDerWaalsContact O-N 3.09Å; D115-G117 PolarHBondContact O-N 3.42Å; D115-G117 VanDerWaalsContact O-N 3.1Å
118K52.1Low61Low150 Ų15072.1 Ų72.165%0.65239%0.391SS*.SBendtrans-92.1-23.5-174.6-79.9171.6-177.8169.30113.5D116D116-K118 PolarHBondContact O-N 3.45Å
119T55.2Low60Low62 Ų6279.7 Ų79.738%0.3843%0.428SS..  trans-141143.8-177.863.10000111.4T114T114-T119 WeakPolarHBondContact CB-O 3.36Å; T114-T119 PolarHBondContact N-O 2.92Å; T114-T119 VanDerWaalsContact N-O 3.13Å
120V60.8Low58.8Low5 Ų583.8 Ų83.83%0.0344%0.442CS..BIsolated β-bridgetrans-94.6132.2166.9-75.30000109.6V81 L86 V108 A112 F122V81-V120 HydrophobicContact CB-CG1 4.19Å; V81-V120 HydrophobicContact CG1-CG1 3.93Å; V81-V120 HydrophobicContact CG2-CG1 3.91Å; L86-V120 HydrophobicContact CB-CG2 4.22Å; L86-V120 HydrophobicContact CD2-CB 4.35Å; L86-V120 HydrophobicContact CD2-CG1 4.17Å; L86-V120 HydrophobicContact CD2-CG2 3.42Å; L86-V120 VanDerWaalsContact CD2-CG2 3.42Å; L86-V120 HydrophobicContact CG-CG2 4.33Å; V108-V120 HydrophobicContact CG2-CG1 4.06Å; A112-V120 CarbonylContact O-C 3.53Å; A112-V120 VanDerWaalsContact O-C 3.32Å; A112-V120 WeakPolarHBondContact O-CA 3.1Å; A112-V120 VanDerWaalsContact O-CB 3.27Å; A112-V120 WeakPolarHBondContact O-CB 3.48Å; V120-F122 HydrophobicContact CB-CD2 3.48Å; V120-F122 VanDerWaalsContact CB-CD2 3.48Å; V120-F122 HydrophobicContact CB-CE2 3.67Å; V120-F122 HydrophobicContact CG1-CD2 4.39Å; V120-F122 HydrophobicContact CG1-CE2 4.09Å; V120-F122 HydrophobicContact CG2-CD2 3.41Å; V120-F122 VanDerWaalsContact CG2-CD2 3.41Å; V120-F122 HydrophobicContact CG2-CE2 3.8Å; V120-F122 PolarHBondContact O-N 3.49Å
121A62Low57.8Low21 Ų2190.6 Ų90.617%0.17446%0.463CS..G310 helixtrans-78.535.9-177.200000113.3A112 S123 K124A112-A121 PolarHBondContact O-N 2.88Å; A121-S123 PolarHBondContact O-N 3.4Å; A121-K124 HydrophobicContact CB-CD 4.41Å; A121-K124 PolarHBondContact O-N 3.44Å
122F56.3Low56.8Low40 Ų4088.6 Ų88.618%0.17546%0.455CS..G310 helixtrans-60.5-25.3176.6-79.8-93.4000112.4L86 L89 L94 V108 A112 V120 K124 L125L86-F122 HydrophobicContact CD2-CE2 4.14Å; L89-F122 HydrophobicContact CD1-CB 4.12Å; L94-F122 HydrophobicContact CD2-CD1 3.77Å; L94-F122 HydrophobicContact CD2-CE1 3.98Å; V108-F122 HydrophobicContact CB-CE2 4.31Å; V108-F122 HydrophobicContact CB-CZ 4.11Å; V108-F122 HydrophobicContact CG1-CE2 3.88Å; V108-F122 HydrophobicContact CG1-CZ 3.69Å; A112-F122 HydrophobicContact CB-CE2 4.03Å; A112-F122 HydrophobicContact CB-CZ 4.06Å; V120-F122 HydrophobicContact CB-CD2 3.48Å; V120-F122 VanDerWaalsContact CB-CD2 3.48Å; V120-F122 HydrophobicContact CB-CE2 3.67Å; V120-F122 HydrophobicContact CG1-CD2 4.39Å; V120-F122 HydrophobicContact CG1-CE2 4.09Å; V120-F122 HydrophobicContact CG2-CD2 3.41Å; V120-F122 VanDerWaalsContact CG2-CD2 3.41Å; V120-F122 HydrophobicContact CG2-CE2 3.8Å; V120-F122 PolarHBondContact O-N 3.49Å; F122-K124 PolarHBondContact O-N 2.91Å; F122-K124 VanDerWaalsContact O-N 3.11Å; F122-L125 HydrophobicContact CB-CD1 4.14Å; F122-L125 HydrophobicContact CD1-CD1 3.29Å; F122-L125 HydrophobicContact CE1-CD1 4.04Å; F122-L125 HydrophobicContact CG-CD1 4.07Å; F122-L125 WeakPolarHBondContact O-CB 3.29Å; F122-L125 PolarHBondContact O-N 2.99Å
123S54.6Low55.9Low92 Ų9297 Ų9764%0.64350%0.499SS*.G310 helixtrans-63.2-13.2173.456.10000113.9A121A121-S123 PolarHBondContact O-N 3.4Å
124K51.1Low55.5Low158 Ų15899.2 Ų99.269%0.68753%0.526SS*.G310 helixtrans-98.510.7174.5-59.6-175.6-177.2178.10113.4A121 F122 P126A121-K124 HydrophobicContact CB-CD 4.41Å; A121-K124 PolarHBondContact O-N 3.44Å; F122-K124 PolarHBondContact O-N 2.91Å; F122-K124 VanDerWaalsContact O-N 3.11Å; K124-P126 WeakPolarHBondContact O-CD 3.49Å
125L52.2Low55.5Low74 Ų74102.6 Ų102.639%0.38754%0.539SS..SBendtrans-72121.6168.5-86.5153.7000108.9W111 F122 T127W111-L125 HydrophobicContact CH2-CD2 3.74Å; W111-L125 HydrophobicContact CH2-CG 4.35Å; W111-L125 HydrophobicContact CZ3-CD2 4.26Å; F122-L125 HydrophobicContact CB-CD1 4.14Å; F122-L125 HydrophobicContact CD1-CD1 3.29Å; F122-L125 HydrophobicContact CE1-CD1 4.04Å; F122-L125 HydrophobicContact CG-CD1 4.07Å; F122-L125 WeakPolarHBondContact O-CB 3.29Å; F122-L125 PolarHBondContact O-N 2.99Å; L125-T127 PolarHBondContact O-N 2.99Å
126P52.3Low55.6Low37 Ų37100.3 Ų100.324%0.2453%0.533CS..PPolyproline II helixtrans-63.2125177.924.6-32.4000108.7K124 E130 R132K124-P126 WeakPolarHBondContact O-CD 3.49Å; P126-E130 HydrophobicContact CB-CB 3.64Å; P126-E130 HydrophobicContact CB-CG 4.23Å; P126-E130 WeakPolarHBondContact CB-O 3.41Å; P126-R132 HydrophobicContact CG-CG 3.86Å
127T54.7Low55.3Low83 Ų83102.9 Ų102.951%0.50954%0.539SS..PPolyproline II helixtrans-60.1161.7163.259.40000108.8L125 M129 E130L125-T127 PolarHBondContact O-N 2.99Å; T127-M129 PolarHBondContact O-N 3.44Å; T127-E130 PolarHBondContact O-N 2.94Å
128I62.3Low55.5Low172 Ų172103.4 Ų103.488%0.88253%0.532SS*.THydrogen-bonded Turntrans-45.9-20.8-178.3-166.4166.8000115
129M52.3Low55.9Low167 Ų167101 Ų10182%0.82354%0.54SS*.THydrogen-bonded Turntrans-83.6-24.5177.8-62.6-151158.300114.9T127 R131T127-M129 PolarHBondContact O-N 3.44Å; M129-R131 PolarHBondContact O-N 3.31Å
130E49.4Very low56.4Low133 Ų133107.9 Ų107.962%0.62156%0.559SS**  trans-96.280.5-170.2-160.8168.8-147.700110.7P126 T127 R132P126-E130 HydrophobicContact CB-CB 3.64Å; P126-E130 HydrophobicContact CB-CG 4.23Å; P126-E130 WeakPolarHBondContact CB-O 3.41Å; T127-E130 PolarHBondContact O-N 2.94Å; E130-R132 PolarHBondContact O-N 3.38Å
131R51.8Low56.6Low170 Ų170111.1 Ų111.164%0.64259%0.587SS**  trans-61105.4177.6-73.2-177.7-97.9162.6-5.3110.4M129 L133 Q138M129-R131 PolarHBondContact O-N 3.31Å; R131-L133 PolarHBondContact O-N 3.09Å; R131-Q138 HydrophobicContact CB-CG 4.36Å
132R51.1Low56.8Low123 Ų123113.6 Ų113.646%0.46460%0.601SS.*  trans-39.882.9175-73.7-75.3-163.3-162.8-2.5116.3P126 E130 G134 H135 Q138P126-R132 HydrophobicContact CG-CG 3.86Å; E130-R132 PolarHBondContact O-N 3.38Å; R132-G134 PolarHBondContact O-N 3.39Å; R132-H135 PolarHBondContact O-N 3.47Å; R132-Q138 VanDerWaalsContact N-NE2 3.12Å; R132-Q138 PolarHBondContact O-NE2 3Å; R132-Q138 PolarHBondContact O-OE1 3.34Å
133L50.6Low57.4Low178 Ų178116 Ų11693%0.93262%0.62SS**THydrogen-bonded Turntrans-34.8109.5177.8-73.5161.3000112.3R131 Q138R131-L133 PolarHBondContact O-N 3.09Å; L133-Q138 VanDerWaalsContact C-OE1 3.3Å; L133-Q138 VanDerWaalsContact N-OE1 3.09Å
134G56.6Low58.4Low75 Ų75121 Ų12177%0.77363%0.63SS**THydrogen-bonded Turntrans121.6-5.6177.400000117.1R132R132-G134 PolarHBondContact O-N 3.39Å
135H61.6Low59.8Low109 Ų109121.2 Ų121.251%0.50563%0.634SS.*  trans-67.9140.7170.1-117.7-82.8000110.1R132 F137 Q138R132-H135 PolarHBondContact O-N 3.47Å; H135-F137 PolarHBondContact O-N 3.41Å; H135-Q138 HydrophobicContact CB-CG 4.29Å; H135-Q138 WeakPolarHBondContact O-CB 3.33Å; H135-Q138 PolarHBondContact O-N 3.39Å
136P64.4Low61.4Low106 Ų106125.8 Ų125.869%0.68865%0.65SS**THydrogen-bonded Turntrans-54.6-16.2178.319.1-32.6000114.3
137F55.3Low63Low171 Ų171133.1 Ų133.175%0.7568%0.679SS**THydrogen-bonded Turntrans-84.5-9.1176-67-79000115.2H135H135-F137 PolarHBondContact O-N 3.41Å
138Q59.3Low64.8Low46 Ų46134.8 Ų134.822%0.21569%0.691CS.*THydrogen-bonded Turntrans-95.9-28.3-175.2-72.6168.912.700114.7R131 R132 L133 H135 R140 A141R131-Q138 HydrophobicContact CB-CG 4.36Å; R132-Q138 VanDerWaalsContact N-NE2 3.12Å; R132-Q138 PolarHBondContact O-NE2 3Å; R132-Q138 PolarHBondContact O-OE1 3.34Å; L133-Q138 VanDerWaalsContact C-OE1 3.3Å; L133-Q138 VanDerWaalsContact N-OE1 3.09Å; H135-Q138 HydrophobicContact CB-CG 4.29Å; H135-Q138 WeakPolarHBondContact O-CB 3.33Å; H135-Q138 PolarHBondContact O-N 3.39Å; Q138-R140 CarbonylContact O-C 3.52Å; Q138-R140 PolarHBondContact O-N 2.93Å; Q138-R140 VanDerWaalsContact O-N 3.07Å; Q138-A141 PolarHBondContact O-N 3.22Å
139A61Low66.2Low99 Ų99138.5 Ų138.582%0.81869%0.694SS**SBendtrans-59.9-19.4171.900000111.7A141A139-A141 VanDerWaalsContact C-N 3.32Å; A139-A141 PolarHBondContact O-N 3.45Å
140R64.4Low68.1Low206 Ų206135.4 Ų135.478%0.77768%0.684SS**SBendtrans-8776.6165.3-53.7-139.8-171.2-156.33.6109Q138 P142Q138-R140 CarbonylContact O-C 3.52Å; Q138-R140 PolarHBondContact O-N 2.93Å; Q138-R140 VanDerWaalsContact O-N 3.07Å; R140-P142 VanDerWaalsContact O-N 3.09Å
141A65.9Low70.2Confident74 Ų74134.6 Ų134.661%0.61269%0.693SS**  trans-44.6123.6159.400000107.2Q138 A139 P143Q138-A141 PolarHBondContact O-N 3.22Å; A139-A141 VanDerWaalsContact C-N 3.32Å; A139-A141 PolarHBondContact O-N 3.45Å; A141-P143 VanDerWaalsContact O-CD 3.25Å; A141-P143 WeakPolarHBondContact O-CD 3.27Å
142P65.9Low72.3Confident73 Ų73129.1 Ų129.147%0.47467%0.674SS.*  trans-52.5119.1-175-2531.9000108.3R140 K144R140-P142 VanDerWaalsContact O-N 3.09Å; P142-K144 PolarHBondContact O-N 2.79Å; P142-K144 VanDerWaalsContact O-N 3.1Å
143P69.4Low74.5Confident90 Ų90126.7 Ų126.758%0.58467%0.673SS**  trans-53126178.2-27.334.8000108.6A141 H145A141-P143 VanDerWaalsContact O-CD 3.25Å; A141-P143 WeakPolarHBondContact O-CD 3.27Å; P143-H145 PolarHBondContact O-N 3.24Å
144K75.7Confident76.8Confident196 Ų196127 Ų12785%0.85267%0.667SS**SBendtrans-52.8-25.3-172.8-69.4-175.3178.2-175.40112.9P142P142-K144 PolarHBondContact O-N 2.79Å; P142-K144 VanDerWaalsContact O-N 3.1Å
145H80.6Confident78.7Confident164 Ų164128.2 Ų128.276%0.75966%0.659SS**SBendtrans-134.498.5176.6-53.7-69.6000110.4P143P143-H145 PolarHBondContact O-N 3.24Å
146K85Confident80.4Confident170 Ų170124.7 Ų124.774%0.73964%0.643SS**PPolyproline II helixtrans-69.4138.3165.4-67.8-178.3-178.21770108.1
147K86.7Confident82.1Confident191 Ų191122.5 Ų122.583%0.8363%0.628SS**PPolyproline II helixtrans-61.1136.4175.5-67.786.9175.1-176.60108.7
148P90.8Very high84.1Confident118 Ų118118.3 Ų118.377%0.76662%0.616SS**PPolyproline II helixtrans-53.3145.5171.8-26.134.6000111.3T150P148-T150 PolarHBondContact O-N 3.39Å
149R91.9Very high85.9Confident250 Ų250119.4 Ų119.494%0.94362%0.621SS**PPolyproline II helixtrans-66.1127.6175-70.2179.5174.1162.5-2.5109
150T92.7Very high87.7Confident102 Ų102114.7 Ų114.763%0.62658%0.582SS**PPolyproline II helixtrans-84.4136.417258.70000109.8P148P148-T150 PolarHBondContact O-N 3.39Å
151S94.3Very high89.3Confident116 Ų116107.1 Ų107.181%0.81156%0.556SS**PPolyproline II helixtrans-102.5139.5168.8-169.20000109.9
152F95.4Very high90.9Very high54 Ų54109.4 Ų109.424%0.23755%0.548CS..PPolyproline II helixtrans-83.8149.5174.2-57.2-44.2000110.3Q156 V157 M184 Q188 W192F152-Q156 HydrophobicContact CB-CB 4.34Å; F152-V157 HydrophobicContact CB-CG2 3.92Å; F152-M184 HydrophobicContact CD1-CE 3.68Å; F152-M184 HydrophobicContact CD2-CE 4.32Å; F152-M184 HydrophobicContact CE1-CE 3.35Å; F152-M184 HydrophobicContact CE2-CE 4.03Å; F152-M184 HydrophobicContact CG-CE 4.17Å; F152-M184 HydrophobicContact CZ-CE 3.54Å; F152-Q188 HydrophobicContact CZ-CB 4.34Å; F152-W192 AromaticContact CD2-CD1 3.78Å; F152-W192 HydrophobicContact CE2-CB 4.33Å; F152-W192 AromaticContact CE2-CD1 3.66Å; F152-W192 HydrophobicContact CE2-CG 4.35Å
153T97.7Very high92.4Very high72 Ų72108.7 Ų108.744%0.44254%0.538SS..PPolyproline II helixtrans-66.8155.4174.461.80000110.6T155 Q156 V157T153-T155 VanDerWaalsContact C-N 3.26Å; T153-T155 PolarHBondContact O-N 2.93Å; T153-T155 PolarHBondContact OG1-OG1 3.12Å; T153-Q156 PolarHBondContact O-N 2.95Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.38Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.39Å; T153-Q156 PolarHBondContact OG1-N 3.2Å; T153-Q156 PolarHBondContact OG1-OE1 2.98Å; T153-V157 WeakPolarHBondContact O-CG2 3.13Å; T153-V157 PolarHBondContact O-N 3.1Å
154K97.7Very high93.8Very high186 Ų186104.4 Ų104.481%0.80951%0.51SS*.Hα-helixtrans-56.9-41.2178.9-68.3-177.6179.3178.90111.9V157 T158K154-V157 PolarHBondContact O-N 2.86Å; K154-T158 WeakPolarHBondContact O-CG2 3.48Å; K154-T158 PolarHBondContact O-N 3.47Å; K154-T158 PolarHBondContact O-OG1 3.45Å
155T97.5Very high94.8Very high99 Ų99100.5 Ų100.561%0.60750%0.498SS*.Hα-helixtrans-64.6-38.8178.651.90000112.8T153 T158 E159T153-T155 VanDerWaalsContact C-N 3.26Å; T153-T155 PolarHBondContact O-N 2.93Å; T153-T155 PolarHBondContact OG1-OG1 3.12Å; T155-T158 WeakPolarHBondContact CA-OG1 3.49Å; T155-T158 PolarHBondContact O-N 3.35Å; T155-T158 PolarHBondContact O-OG1 3.27Å; T155-E159 PolarHBondContact O-N 3.48Å; T155-E159 VanDerWaalsContact O-N 3.17Å
156Q97.9Very high95.6Very high36 Ų3698 Ų9817%0.16849%0.491CS..Hα-helixtrans-63.5-44.5173-75167.1-3500111.2F152 T153 T158 E159 L160 L182 M184F152-Q156 HydrophobicContact CB-CB 4.34Å; T153-Q156 PolarHBondContact O-N 2.95Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.38Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.39Å; T153-Q156 PolarHBondContact OG1-N 3.2Å; T153-Q156 PolarHBondContact OG1-OE1 2.98Å; Q156-T158 PolarHBondContact O-N 2.84Å; Q156-E159 PolarHBondContact O-N 2.69Å; Q156-L160 WeakPolarHBondContact O-CB 3.37Å; Q156-L160 WeakPolarHBondContact O-CD1 3.41Å; Q156-L160 WeakPolarHBondContact O-CG 3.39Å; Q156-L160 PolarHBondContact O-N 3.12Å; Q156-L182 HydrophobicContact CG-CB 4.44Å; Q156-L182 PolarHBondContact NE2-O 2.73Å; Q156-M184 HydrophobicContact CB-SD 4.32Å; Q156-M184 HydrophobicContact CG-SD 4.25Å
157V98.2Very high96.2Very high59 Ų5992.6 Ų92.636%0.35847%0.468SS..Hα-helixtrans-63.6-41.1179.11770000111.4F152 T153 K154 L160 E161F152-V157 HydrophobicContact CB-CG2 3.92Å; T153-V157 WeakPolarHBondContact O-CG2 3.13Å; T153-V157 PolarHBondContact O-N 3.1Å; K154-V157 PolarHBondContact O-N 2.86Å; V157-L160 PolarHBondContact O-N 3.43Å; V157-E161 WeakPolarHBondContact O-CB 3.37Å; V157-E161 PolarHBondContact O-N 2.86Å
158T98.1Very high96.7Very high83 Ų8386.2 Ų86.251%0.50944%0.44SS..Hα-helixtrans-64.4-43.3178.850.20000112.3K154 T155 Q156 E161 R162K154-T158 WeakPolarHBondContact O-CG2 3.48Å; K154-T158 PolarHBondContact O-N 3.47Å; K154-T158 PolarHBondContact O-OG1 3.45Å; T155-T158 WeakPolarHBondContact CA-OG1 3.49Å; T155-T158 PolarHBondContact O-N 3.35Å; T155-T158 PolarHBondContact O-OG1 3.27Å; Q156-T158 PolarHBondContact O-N 2.84Å; T158-E161 PolarHBondContact O-N 2.83Å; T158-R162 WeakPolarHBondContact O-CB 3.17Å; T158-R162 PolarHBondContact O-N 3.23Å
159E98Very high97.1Very high70 Ų7087.4 Ų87.433%0.32743%0.43SS..Hα-helixtrans-68-39.6177-76.2-57.3133.700112.6T155 Q156 E161 R162 K163 L182T155-E159 PolarHBondContact O-N 3.48Å; T155-E159 VanDerWaalsContact O-N 3.17Å; Q156-E159 PolarHBondContact O-N 2.69Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E159-E161 PolarHBondContact O-N 3.45Å; E159-R162 PolarHBondContact O-N 3.4Å; E159-R162 IonicContact OE1-NE 2.92Å; E159-R162 IonicContact OE2-CZ 2.87Å; E159-R162 IonicContact OE2-NE 3.67Å; E159-R162 PolarHBondContact OE2-NE 3.1Å; E159-R162 IonicContact OE2-NH2 2.73Å; E159-R162 PolarHBondContact OE2-NH2 2.91Å; E159-K163 WeakPolarHBondContact O-CB 3.38Å; E159-K163 PolarHBondContact O-N 3.25Å; E159-L182 HydrophobicContact CB-CD1 4.3Å; E159-L182 HydrophobicContact CB-CD2 3.63Å; E159-L182 HydrophobicContact CG-CD2 3.98Å
160L98.5Very high97.3Very high0 Ų076.4 Ų76.40%039%0.39CS..Hα-helixtrans-60.9-43.8174.1-73.5166.5000111.2Q156 V157 K163 F164 L178 L182 M184 V189 W192 F193Q156-L160 WeakPolarHBondContact O-CB 3.37Å; Q156-L160 WeakPolarHBondContact O-CD1 3.41Å; Q156-L160 WeakPolarHBondContact O-CG 3.39Å; Q156-L160 PolarHBondContact O-N 3.12Å; V157-L160 PolarHBondContact O-N 3.43Å; L160-K163 PolarHBondContact O-N 2.77Å; L160-F164 VanDerWaalsContact O-CB 3.3Å; L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 2.72Å; L160-L178 HydrophobicContact CD2-CD2 3.91Å; L160-L182 HydrophobicContact CD1-CD1 4.42Å; L160-L182 HydrophobicContact CD2-CD1 3.74Å; L160-L182 HydrophobicContact CG-CD1 3.65Å; L160-M184 HydrophobicContact CD1-CE 4.31Å; L160-M184 HydrophobicContact CD1-SD 4.16Å; L160-V189 HydrophobicContact CD2-CG1 4.29Å; L160-W192 VanDerWaalsContact C-CH2 3.48Å; L160-W192 HydrophobicContact CB-CD2 3.94Å; L160-W192 HydrophobicContact CB-CE3 3.92Å; L160-W192 HydrophobicContact CB-CH2 3.61Å; L160-W192 HydrophobicContact CB-CZ2 3.59Å; L160-W192 HydrophobicContact CB-CZ3 3.77Å; L160-W192 HydrophobicContact CD1-CD2 3.83Å; L160-W192 HydrophobicContact CD1-CE3 4.44Å; L160-W192 HydrophobicContact CD1-CG 3.85Å; L160-W192 HydrophobicContact CD2-CD2 4.29Å; L160-W192 HydrophobicContact CD2-CE3 4.12Å; L160-W192 HydrophobicContact CG-CD2 4.24Å; L160-W192 HydrophobicContact CG-CE3 4.39Å; L160-W192 WeakPolarHBondContact O-CH2 3.27Å; L160-F193 HydrophobicContact CD2-CE2 4.02Å
161E98.4Very high97.6Very high46 Ų4674.1 Ų74.122%0.21538%0.382CS..Hα-helixtrans-67.3-43.7178-167.163.7-152.200111.6V157 T158 E159 K163 F164 L165 R196V157-E161 WeakPolarHBondContact O-CB 3.37Å; V157-E161 PolarHBondContact O-N 2.86Å; T158-E161 PolarHBondContact O-N 2.83Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E159-E161 PolarHBondContact O-N 3.45Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.1Å; E161-F164 WeakPolarHBondContact O-CB 3.42Å; E161-F164 PolarHBondContact O-N 2.84Å; E161-F164 VanDerWaalsContact O-N 3.1Å; E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.98Å; E161-R196 IonicContact OE1-CZ 3.35Å; E161-R196 IonicContact OE1-NE 3.1Å; E161-R196 PolarHBondContact OE1-NE 3.46Å; E161-R196 VanDerWaalsContact OE1-NE 3.1Å; E161-R196 IonicContact OE1-NH2 3.48Å; E161-R196 PolarHBondContact OE1-NH2 2.93Å; E161-R196 WeakPolarHBondContact OE2-CD 3.12Å; E161-R196 IonicContact OE2-CZ 3.61Å; E161-R196 IonicContact OE2-NE 2.77Å; E161-R196 PolarHBondContact OE2-NE 3.39Å; E161-R196 IonicContact OE2-NH2 3.52Å
162R98.1Very high97.7Very high122 Ų12272.7 Ų72.746%0.4637%0.371SS..Hα-helixtrans-54.2-50.6174.7-173-173.46778.4-3.7110.6T158 E159 F164 L165 D166T158-R162 WeakPolarHBondContact O-CB 3.17Å; T158-R162 PolarHBondContact O-N 3.23Å; E159-R162 PolarHBondContact O-N 3.4Å; E159-R162 IonicContact OE1-NE 2.92Å; E159-R162 IonicContact OE2-CZ 2.87Å; E159-R162 IonicContact OE2-NE 3.67Å; E159-R162 PolarHBondContact OE2-NE 3.1Å; E159-R162 IonicContact OE2-NH2 2.73Å; E159-R162 PolarHBondContact OE2-NH2 2.91Å; R162-F164 VanDerWaalsContact C-N 3.31Å; R162-F164 PolarHBondContact O-N 3.47Å; R162-L165 PolarHBondContact O-N 2.89Å; R162-D166 PolarHBondContact O-N 2.73Å
163K97.6Very high97.8Very high58 Ų5873.9 Ų73.925%0.25239%0.391SS..Hα-helixtrans-66-33.4178.6-160.867.9177.7164.50112.5E159 L160 E161 D166 Q167 L170 L178E159-K163 WeakPolarHBondContact O-CB 3.38Å; E159-K163 PolarHBondContact O-N 3.25Å; L160-K163 PolarHBondContact O-N 2.77Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.1Å; K163-D166 PolarHBondContact O-N 3.15Å; K163-Q167 PolarHBondContact O-N 2.93Å; K163-L170 HydrophobicContact CG-CD2 4.18Å; K163-L178 HydrophobicContact CB-CD2 4.26Å; K163-L178 HydrophobicContact CG-CD1 4.49Å; K163-L178 HydrophobicContact CG-CD2 4.09Å
164F98.3Very high97.8Very high1 Ų173.7 Ų73.70%0.00439%0.385CS..Hα-helixtrans-68.4-33.7175.8-178.2-101.8000112.9L160 E161 R162 D166 Q167 K168 W192 F193 R196 R197 W200L160-F164 VanDerWaalsContact O-CB 3.3Å; L160-F164 WeakPolarHBondContact O-CB 3.44Å; L160-F164 PolarHBondContact O-N 2.72Å; E161-F164 WeakPolarHBondContact O-CB 3.42Å; E161-F164 PolarHBondContact O-N 2.84Å; E161-F164 VanDerWaalsContact O-N 3.1Å; R162-F164 VanDerWaalsContact C-N 3.31Å; R162-F164 PolarHBondContact O-N 3.47Å; F164-D166 VanDerWaalsContact C-N 3.33Å; F164-Q167 CarbonylContact O-C 3.46Å; F164-Q167 PolarHBondContact O-N 3.31Å; F164-K168 HydrophobicContact CD1-CD 4.06Å; F164-K168 HydrophobicContact CD2-CD 4.18Å; F164-K168 HydrophobicContact CE1-CD 3.59Å; F164-K168 HydrophobicContact CE2-CB 4.15Å; F164-K168 HydrophobicContact CE2-CD 3.74Å; F164-K168 HydrophobicContact CG-CD 4.33Å; F164-K168 HydrophobicContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact O-CD 3.27Å; F164-K168 WeakPolarHBondContact O-CD 3.38Å; F164-K168 VanDerWaalsContact O-CE 3.29Å; F164-K168 WeakPolarHBondContact O-CE 3.28Å; F164-K168 PolarHBondContact O-NZ 3.39Å; F164-W192 HydrophobicContact CB-CH2 4.08Å; F164-W192 HydrophobicContact CB-CZ3 4.01Å; F164-W192 HydrophobicContact CD2-CZ3 4.44Å; F164-W192 HydrophobicContact CG-CZ3 4.39Å; F164-F193 HydrophobicContact CB-CE1 4.15Å; F164-F193 HydrophobicContact CB-CZ 4.4Å; F164-F193 AromaticContact CD2-CD1 3.88Å; F164-F193 HydrophobicContact CD2-CD1 3.88Å; F164-F193 AromaticContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CG-CE1 4.49Å; F164-R196 HydrophobicContact CD1-CG 3.71Å; F164-R196 HydrophobicContact CD2-CB 4.39Å; F164-R196 HydrophobicContact CD2-CG 3.81Å; F164-R196 HydrophobicContact CE1-CG 3.63Å; F164-R196 HydrophobicContact CE2-CB 4.23Å; F164-R196 HydrophobicContact CE2-CG 3.74Å; F164-R196 HydrophobicContact CG-CG 3.8Å; F164-R196 HydrophobicContact CZ-CB 4.46Å; F164-R196 HydrophobicContact CZ-CG 3.65Å; F164-R197 HydrophobicContact CE2-CG 3.89Å; F164-R197 HydrophobicContact CZ-CG 4.38Å; F164-W200 HydrophobicContact CE1-CB 4.45Å; F164-W200 HydrophobicContact CZ-CB 4.17Å; F164-W200 HydrophobicContact CZ-CG 4.38Å
165L97.4Very high97.8Very high113 Ų11367 Ų6759%0.59236%0.355SS*.Hα-helixtrans-61.9-44.1174.9-70.9177.2000111.2E161 R162E161-L165 WeakPolarHBondContact O-CG 3.49Å; E161-L165 PolarHBondContact O-N 2.98Å; R162-L165 PolarHBondContact O-N 2.89Å
166D97.4Very high97.8Very high113 Ų11364.3 Ų64.360%0.60434%0.343SS*.Hα-helixtrans-67.1-44.7176.2-58.8-25.2000111.8R162 K163 F164R162-D166 PolarHBondContact O-N 2.73Å; K163-D166 PolarHBondContact O-N 3.15Å; F164-D166 VanDerWaalsContact C-N 3.33Å
167Q97.6Very high97.8Very high56 Ų5665.8 Ų65.826%0.26236%0.357SS..  trans-146114.6-171.3-172.3178.8-15.600112.3K163 F164 Y169 L170 E174K163-Q167 PolarHBondContact O-N 2.93Å; F164-Q167 CarbonylContact O-C 3.46Å; F164-Q167 PolarHBondContact O-N 3.31Å; Q167-Y169 VanDerWaalsContact C-N 3.31Å; Q167-Y169 VanDerWaalsContact CG-O 3.31Å; Q167-Y169 WeakPolarHBondContact CG-O 3.44Å; Q167-Y169 PolarHBondContact NE2-O 2.96Å; Q167-Y169 PolarHBondContact O-N 3.39Å; Q167-L170 HydrophobicContact CB-CD2 4.39Å; Q167-L170 HydrophobicContact CG-CD2 4.31Å; Q167-E174 PolarHBondContact NE2-OE2 3.23Å; Q167-E174 PolarHBondContact OE1-OE1 3.14Å
168K97.9Very high97.8Very high57 Ų5763.6 Ų63.625%0.24834%0.343CS..SBendtrans-74-20-177.8-51.1-63.9165.1-160.10113.7F164 R197F164-K168 HydrophobicContact CD1-CD 4.06Å; F164-K168 HydrophobicContact CD2-CD 4.18Å; F164-K168 HydrophobicContact CE1-CD 3.59Å; F164-K168 HydrophobicContact CE2-CB 4.15Å; F164-K168 HydrophobicContact CE2-CD 3.74Å; F164-K168 HydrophobicContact CG-CD 4.33Å; F164-K168 HydrophobicContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact CZ-CD 3.41Å; F164-K168 VanDerWaalsContact O-CD 3.27Å; F164-K168 WeakPolarHBondContact O-CD 3.38Å; F164-K168 VanDerWaalsContact O-CE 3.29Å; F164-K168 WeakPolarHBondContact O-CE 3.28Å; F164-K168 PolarHBondContact O-NZ 3.39Å; K168-R197 WeakPolarHBondContact O-CD 3.47Å
169Y98.3Very high97.8Very high143 Ų14359.9 Ų59.956%0.56132%0.321SS*.SBendtrans-132.5105.7-175.4-66.8-103.9000109.6Q167Q167-Y169 VanDerWaalsContact C-N 3.31Å; Q167-Y169 VanDerWaalsContact CG-O 3.31Å; Q167-Y169 WeakPolarHBondContact CG-O 3.44Å; Q167-Y169 PolarHBondContact NE2-O 2.96Å; Q167-Y169 PolarHBondContact O-N 3.39Å
170L97.1Very high97.8Very high19 Ų1964 Ų6410%0.09934%0.341CS..  trans-81.7133.3177.4-63.7-177.2000112.4K163 Q167 E174 R175 L178 V189 F193K163-L170 HydrophobicContact CG-CD2 4.18Å; Q167-L170 HydrophobicContact CB-CD2 4.39Å; Q167-L170 HydrophobicContact CG-CD2 4.31Å; L170-E174 HydrophobicContact CD2-CB 4.37Å; L170-R175 HydrophobicContact CB-CB 4.39Å; L170-R175 PolarHBondContact O-NH2 3.17Å; L170-L178 HydrophobicContact CD1-CD2 3.71Å; L170-V189 HydrophobicContact CD1-CG1 4.26Å; L170-F193 HydrophobicContact CD1-CD1 4.31Å; L170-F193 HydrophobicContact CD1-CD2 3.88Å; L170-F193 HydrophobicContact CD1-CE1 3.8Å; L170-F193 HydrophobicContact CD1-CE2 3.32Å; L170-F193 HydrophobicContact CD1-CG 4.37Å; L170-F193 HydrophobicContact CD1-CZ 3.28Å; L170-F193 HydrophobicContact CD2-CE1 4.18Å; L170-F193 HydrophobicContact CD2-CZ 4.17Å; L170-F193 HydrophobicContact CG-CD1 4.04Å; L170-F193 HydrophobicContact CG-CD2 4.47Å; L170-F193 HydrophobicContact CG-CE1 3.56Å; L170-F193 HydrophobicContact CG-CE2 4.06Å; L170-F193 HydrophobicContact CG-CG 4.49Å; L170-F193 HydrophobicContact CG-CZ 3.6Å
171A97.4Very high97.8Very high54 Ų5468.9 Ų68.945%0.44637%0.37SS..  trans-66.5165.3166.800000110.8A173 E174 R175A171-A173 PolarHBondContact O-N 3.04Å; A171-E174 HydrophobicContact CB-CG 4.32Å; A171-E174 VanDerWaalsContact CB-OE2 3.3Å; A171-E174 WeakPolarHBondContact CB-OE2 3.41Å; A171-E174 PolarHBondContact N-OE2 2.92Å; A171-E174 PolarHBondContact O-N 3.44Å; A171-R175 WeakPolarHBondContact O-CB 3.31Å; A171-R175 PolarHBondContact O-N 2.96Å
172S97.7Very high97.7Very high85 Ų8567.5 Ų67.559%0.59437%0.365SS*.Hα-helixtrans-60.2-44.8-175.7-156.10000112.9R175 A176S172-R175 PolarHBondContact O-N 3.2Å; S172-A176 PolarHBondContact O-N 3.45Å; S172-A176 VanDerWaalsContact O-N 3.09Å
173A97.4Very high97.6Very high80 Ų8071.2 Ų71.266%0.66138%0.384SS*.Hα-helixtrans-65-42.3179.900000112.6A171 R175 A176 S177A171-A173 PolarHBondContact O-N 3.04Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.91Å; A173-A176 PolarHBondContact O-N 3.49Å; A173-S177 PolarHBondContact O-N 2.97Å
174E97.5Very high97.6Very high67 Ų6769.2 Ų69.231%0.31338%0.376SS..Hα-helixtrans-66.9-36.9179-59.2173.712700111.6Q167 L170 A171 S177 L178Q167-E174 PolarHBondContact NE2-OE2 3.23Å; Q167-E174 PolarHBondContact OE1-OE1 3.14Å; L170-E174 HydrophobicContact CD2-CB 4.37Å; A171-E174 HydrophobicContact CB-CG 4.32Å; A171-E174 VanDerWaalsContact CB-OE2 3.3Å; A171-E174 WeakPolarHBondContact CB-OE2 3.41Å; A171-E174 PolarHBondContact N-OE2 2.92Å; A171-E174 PolarHBondContact O-N 3.44Å; E174-S177 PolarHBondContact O-N 3.36Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.34Å
175R98Very high97.6Very high45 Ų4571.8 Ų71.817%0.1739%0.394CS..Hα-helixtrans-62.7-45.5174.5-162.5-178.4-39.499.77.8111.3L170 A171 S172 A173 L178 A179 D186 V189L170-R175 HydrophobicContact CB-CB 4.39Å; L170-R175 PolarHBondContact O-NH2 3.17Å; A171-R175 WeakPolarHBondContact O-CB 3.31Å; A171-R175 PolarHBondContact O-N 2.96Å; S172-R175 PolarHBondContact O-N 3.2Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.91Å; R175-L178 PolarHBondContact O-N 2.82Å; R175-A179 VanDerWaalsContact O-CB 3.25Å; R175-A179 WeakPolarHBondContact O-CB 3.39Å; R175-A179 PolarHBondContact O-N 3.4Å; R175-D186 WeakPolarHBondContact CB-OD1 3.27Å; R175-D186 WeakPolarHBondContact CD-O 3.41Å; R175-D186 WeakPolarHBondContact CD-OD1 3.42Å; R175-D186 WeakPolarHBondContact CG-OD1 3.45Å; R175-D186 IonicContact NH1-OD1 3.35Å; R175-D186 PolarHBondContact NH1-OD1 3.16Å; R175-D186 IonicContact NH1-OD2 3.8Å; R175-V189 HydrophobicContact CG-CB 3.97Å; R175-V189 HydrophobicContact CG-CG1 3.68Å
176A98.1Very high97.6Very high43 Ų4369.2 Ų69.236%0.35538%0.38SS..Hα-helixtrans-62.1-43.917700000111.9S172 A173 A179 Q180S172-A176 PolarHBondContact O-N 3.45Å; S172-A176 VanDerWaalsContact O-N 3.09Å; A173-A176 PolarHBondContact O-N 3.49Å; A176-A179 WeakPolarHBondContact O-CB 3.22Å; A176-A179 PolarHBondContact O-N 3.43Å; A176-Q180 WeakPolarHBondContact O-CG 3.43Å; A176-Q180 PolarHBondContact O-N 2.87Å
177S98Very high97.6Very high68 Ų6866.2 Ų66.248%0.47637%0.372SS..Hα-helixtrans-62.2-43.1176.3175.90000112.6A173 E174 Q180 T181A173-S177 PolarHBondContact O-N 2.97Å; E174-S177 PolarHBondContact O-N 3.36Å; S177-Q180 PolarHBondContact O-N 3.26Å; S177-T181 PolarHBondContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 3.24Å
178L97.9Very high97.6Very high12 Ų1266.8 Ų66.86%0.06337%0.374CS..Hα-helixtrans-67.3-39.5177.1-171.463.5000111.8L160 K163 L170 E174 R175 T181 L182 V189 F193L160-L178 HydrophobicContact CD2-CD2 3.91Å; K163-L178 HydrophobicContact CB-CD2 4.26Å; K163-L178 HydrophobicContact CG-CD1 4.49Å; K163-L178 HydrophobicContact CG-CD2 4.09Å; L170-L178 HydrophobicContact CD1-CD2 3.71Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 3.34Å; R175-L178 PolarHBondContact O-N 2.82Å; L178-T181 PolarHBondContact O-N 3.07Å; L178-L182 HydrophobicContact CD1-CD1 3.97Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CG-CD1 4.03Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 3.1Å; L178-V189 HydrophobicContact CD2-CG1 4.04Å; L178-F193 HydrophobicContact CD2-CE2 3.87Å; L178-F193 HydrophobicContact CD2-CZ 4.25Å
179A98.1Very high97.6Very high5 Ų564 Ų644%0.04136%0.362CS..Hα-helixtrans-59.8-45.7176.200000111.4R175 A176 L182 K183 M184 V189R175-A179 VanDerWaalsContact O-CB 3.25Å; R175-A179 WeakPolarHBondContact O-CB 3.39Å; R175-A179 PolarHBondContact O-N 3.4Å; A176-A179 WeakPolarHBondContact O-CB 3.22Å; A176-A179 PolarHBondContact O-N 3.43Å; A179-L182 PolarHBondContact O-N 3.49Å; A179-K183 PolarHBondContact O-N 2.92Å; A179-K183 VanDerWaalsContact O-N 3.07Å; A179-M184 CarbonylContact C-O 3.56Å; A179-M184 WeakPolarHBondContact CB-O 3.44Å; A179-M184 PolarHBondContact O-N 3.28Å; A179-M184 VanDerWaalsContact O-O 3.11Å; A179-V189 HydrophobicContact CB-CG2 3.93Å
180Q97.7Very high97.6Very high157 Ų15762.8 Ų62.873%0.73436%0.36SS*.Hα-helixtrans-61.5-46.4174.8-72.5176.7-1900112A176 S177 L182 K183A176-Q180 WeakPolarHBondContact O-CG 3.43Å; A176-Q180 PolarHBondContact O-N 2.87Å; S177-Q180 PolarHBondContact O-N 3.26Å; Q180-L182 VanDerWaalsContact C-N 3.32Å; Q180-L182 PolarHBondContact O-N 2.8Å; Q180-K183 PolarHBondContact O-N 3.25Å
181T97Very high97.6Very high102 Ų10265.3 Ų65.363%0.62638%0.376SS*.Hα-helixtrans-60.8-39.9-179.2-56.10000112.3S177 L178S177-T181 PolarHBondContact O-N 3.1Å; S177-T181 PolarHBondContact O-OG1 3.24Å; L178-T181 PolarHBondContact O-N 3.07Å
182L96.9Very high97.7Very high18 Ų1864.2 Ų64.29%0.09436%0.361CS..Hα-helixtrans-92.51.8-177.5-61.2-178.6000114.5Q156 E159 L160 L178 A179 Q180 M184Q156-L182 HydrophobicContact CG-CB 4.44Å; Q156-L182 PolarHBondContact NE2-O 2.73Å; E159-L182 HydrophobicContact CB-CD1 4.3Å; E159-L182 HydrophobicContact CB-CD2 3.63Å; E159-L182 HydrophobicContact CG-CD2 3.98Å; L160-L182 HydrophobicContact CD1-CD1 4.42Å; L160-L182 HydrophobicContact CD2-CD1 3.74Å; L160-L182 HydrophobicContact CG-CD1 3.65Å; L178-L182 HydrophobicContact CD1-CD1 3.97Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CG-CD1 4.03Å; L178-L182 WeakPolarHBondContact O-CG 3.3Å; L178-L182 PolarHBondContact O-N 3.1Å; A179-L182 PolarHBondContact O-N 3.49Å; Q180-L182 VanDerWaalsContact C-N 3.32Å; Q180-L182 PolarHBondContact O-N 2.8Å; L182-M184 VanDerWaalsContact C-N 3.25Å; L182-M184 HydrophobicContact CB-CG 3.99Å; L182-M184 HydrophobicContact CB-SD 3.98Å; L182-M184 HydrophobicContact CD1-SD 4.24Å; L182-M184 PolarHBondContact O-N 3.4Å
183K97.2Very high97.7Very high199 Ų19960.6 Ų60.687%0.86533%0.334SS*.THydrogen-bonded Turntrans52.644.3-172.4-56.2-179.9-179.6178.60112A179 Q180A179-K183 PolarHBondContact O-N 2.92Å; A179-K183 VanDerWaalsContact O-N 3.07Å; Q180-K183 PolarHBondContact O-N 3.25Å
184M97.2Very high97.8Very high17 Ų1761 Ų618%0.08432%0.322CS..  trans-116.7162.5178.3-66.1179.564.800110.2F152 Q156 L160 A179 L182 Q188 V189F152-M184 HydrophobicContact CD1-CE 3.68Å; F152-M184 HydrophobicContact CD2-CE 4.32Å; F152-M184 HydrophobicContact CE1-CE 3.35Å; F152-M184 HydrophobicContact CE2-CE 4.03Å; F152-M184 HydrophobicContact CG-CE 4.17Å; F152-M184 HydrophobicContact CZ-CE 3.54Å; Q156-M184 HydrophobicContact CB-SD 4.32Å; Q156-M184 HydrophobicContact CG-SD 4.25Å; L160-M184 HydrophobicContact CD1-CE 4.31Å; L160-M184 HydrophobicContact CD1-SD 4.16Å; A179-M184 CarbonylContact C-O 3.56Å; A179-M184 WeakPolarHBondContact CB-O 3.44Å; A179-M184 PolarHBondContact O-N 3.28Å; A179-M184 VanDerWaalsContact O-O 3.11Å; L182-M184 VanDerWaalsContact C-N 3.25Å; L182-M184 HydrophobicContact CB-CG 3.99Å; L182-M184 HydrophobicContact CB-SD 3.98Å; L182-M184 HydrophobicContact CD1-SD 4.24Å; L182-M184 PolarHBondContact O-N 3.4Å; M184-Q188 HydrophobicContact CE-CB 3.84Å; M184-V189 HydrophobicContact CB-CG2 4.14Å
185S97.6Very high97.8Very high54 Ų5462.6 Ų62.638%0.37833%0.333SS..  trans-80.6150.3170.4640000111.9A187 Q188 V189S185-A187 PolarHBondContact O-N 3.37Å; S185-Q188 WeakPolarHBondContact O-CB 3.33Å; S185-Q188 PolarHBondContact O-N 3.42Å; S185-Q188 WeakPolarHBondContact OG-CB 3.5Å; S185-Q188 VanDerWaalsContact OG-CD 3.31Å; S185-Q188 WeakPolarHBondContact OG-CG 3.43Å; S185-Q188 PolarHBondContact OG-N 3.06Å; S185-Q188 PolarHBondContact OG-OE1 3.14Å; S185-V189 PolarHBondContact O-N 2.86Å; S185-V189 VanDerWaalsContact O-N 3.09Å
186D97.8Very high97.8Very high59 Ų5962.6 Ų62.632%0.31633%0.333SS..Hα-helixtrans-53.3-39.2174.4-177.574.2000111.8R175 V189 K190R175-D186 WeakPolarHBondContact CB-OD1 3.27Å; R175-D186 WeakPolarHBondContact CD-O 3.41Å; R175-D186 WeakPolarHBondContact CD-OD1 3.42Å; R175-D186 WeakPolarHBondContact CG-OD1 3.45Å; R175-D186 IonicContact NH1-OD1 3.35Å; R175-D186 PolarHBondContact NH1-OD1 3.16Å; R175-D186 IonicContact NH1-OD2 3.8Å; D186-V189 PolarHBondContact O-N 2.86Å; D186-K190 VanDerWaalsContact O-CB 3.3Å; D186-K190 WeakPolarHBondContact O-CB 3.3Å; D186-K190 PolarHBondContact O-N 2.93Å
187A97.2Very high97.9Very high51 Ų5162.8 Ų62.842%0.42132%0.324SS..Hα-helixtrans-65.2-38.3177.100000113.2S185 T191S185-A187 PolarHBondContact O-N 3.37Å; A187-T191 WeakPolarHBondContact O-CB 3.37Å; A187-T191 PolarHBondContact O-N 3.28Å; A187-T191 PolarHBondContact O-OG1 3.1Å
188Q97.6Very high97.9Very high67 Ų6761.1 Ų61.131%0.31331%0.311SS..Hα-helixtrans-66.2-45.3175.2-77.8167.2-5200111.3F152 M184 S185 T191 W192F152-Q188 HydrophobicContact CZ-CB 4.34Å; M184-Q188 HydrophobicContact CE-CB 3.84Å; S185-Q188 WeakPolarHBondContact O-CB 3.33Å; S185-Q188 PolarHBondContact O-N 3.42Å; S185-Q188 WeakPolarHBondContact OG-CB 3.5Å; S185-Q188 VanDerWaalsContact OG-CD 3.31Å; S185-Q188 WeakPolarHBondContact OG-CG 3.43Å; S185-Q188 PolarHBondContact OG-N 3.06Å; S185-Q188 PolarHBondContact OG-OE1 3.14Å; Q188-T191 PolarHBondContact O-N 3.07Å; Q188-W192 WeakPolarHBondContact O-CB 3.45Å; Q188-W192 PolarHBondContact O-N 3.23Å
189V98.3Very high97.9Very high0 Ų066.2 Ų66.20%033%0.333CS..Hα-helixtrans-61.3-46.4175.9-179.70000110.1L160 L170 R175 L178 A179 M184 S185 D186 T191 W192 F193L160-V189 HydrophobicContact CD2-CG1 4.29Å; L170-V189 HydrophobicContact CD1-CG1 4.26Å; R175-V189 HydrophobicContact CG-CB 3.97Å; R175-V189 HydrophobicContact CG-CG1 3.68Å; L178-V189 HydrophobicContact CD2-CG1 4.04Å; A179-V189 HydrophobicContact CB-CG2 3.93Å; M184-V189 HydrophobicContact CB-CG2 4.14Å; S185-V189 PolarHBondContact O-N 2.86Å; S185-V189 VanDerWaalsContact O-N 3.09Å; D186-V189 PolarHBondContact O-N 2.86Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.06Å; V189-W192 PolarHBondContact O-N 3.19Å; V189-F193 HydrophobicContact CG1-CD2 3.77Å; V189-F193 HydrophobicContact CG1-CE2 3.89Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.3Å
190K98Very high97.8Very high117 Ų11770.8 Ų70.851%0.50935%0.349SS..Hα-helixtrans-54.2-47.9175.6-176.4178.869.4-176.70111.9D186 F193 Q194D186-K190 VanDerWaalsContact O-CB 3.3Å; D186-K190 WeakPolarHBondContact O-CB 3.3Å; D186-K190 PolarHBondContact O-N 2.93Å; K190-F193 PolarHBondContact O-N 3.06Å; K190-Q194 WeakPolarHBondContact O-CB 3.21Å; K190-Q194 PolarHBondContact O-N 2.88Å
191T97.9Very high97.8Very high72 Ų7270 Ų7044%0.44234%0.34SS..Hα-helixtrans-66.7-41.3-178.7-57.30000111.1A187 Q188 V189 Q194 N195A187-T191 WeakPolarHBondContact O-CB 3.37Å; A187-T191 PolarHBondContact O-N 3.28Å; A187-T191 PolarHBondContact O-OG1 3.1Å; Q188-T191 PolarHBondContact O-N 3.07Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.06Å; T191-Q194 PolarHBondContact O-N 3.47Å; T191-N195 WeakPolarHBondContact O-CB 3.39Å; T191-N195 VanDerWaalsContact O-CG 3.22Å; T191-N195 PolarHBondContact O-N 2.9Å; T191-N195 PolarHBondContact O-ND2 3.19Å
192W98.3Very high97.7Very high31 Ų3172.4 Ų72.412%0.11734%0.337CS..Hα-helixtrans-61.6-48.1175.9-173.395.3000111.4F152 L160 F164 Q188 V189 Q194 N195 R196F152-W192 AromaticContact CD2-CD1 3.78Å; F152-W192 HydrophobicContact CE2-CB 4.33Å; F152-W192 AromaticContact CE2-CD1 3.66Å; F152-W192 HydrophobicContact CE2-CG 4.35Å; L160-W192 VanDerWaalsContact C-CH2 3.48Å; L160-W192 HydrophobicContact CB-CD2 3.94Å; L160-W192 HydrophobicContact CB-CE3 3.92Å; L160-W192 HydrophobicContact CB-CH2 3.61Å; L160-W192 HydrophobicContact CB-CZ2 3.59Å; L160-W192 HydrophobicContact CB-CZ3 3.77Å; L160-W192 HydrophobicContact CD1-CD2 3.83Å; L160-W192 HydrophobicContact CD1-CE3 4.44Å; L160-W192 HydrophobicContact CD1-CG 3.85Å; L160-W192 HydrophobicContact CD2-CD2 4.29Å; L160-W192 HydrophobicContact CD2-CE3 4.12Å; L160-W192 HydrophobicContact CG-CD2 4.24Å; L160-W192 HydrophobicContact CG-CE3 4.39Å; L160-W192 WeakPolarHBondContact O-CH2 3.27Å; F164-W192 HydrophobicContact CB-CH2 4.08Å; F164-W192 HydrophobicContact CB-CZ3 4.01Å; F164-W192 HydrophobicContact CD2-CZ3 4.44Å; F164-W192 HydrophobicContact CG-CZ3 4.39Å; Q188-W192 WeakPolarHBondContact O-CB 3.45Å; Q188-W192 PolarHBondContact O-N 3.23Å; V189-W192 PolarHBondContact O-N 3.19Å; W192-Q194 VanDerWaalsContact C-N 3.32Å; W192-Q194 PolarHBondContact O-N 3.41Å; W192-N195 PolarHBondContact O-N 3.14Å; W192-R196 HydrophobicContact CD2-CB 4.48Å; W192-R196 HydrophobicContact CE3-CB 4.11Å; W192-R196 HydrophobicContact CH2-CB 4.05Å; W192-R196 HydrophobicContact CH2-CG 3.72Å; W192-R196 HydrophobicContact CZ2-CB 4.45Å; W192-R196 HydrophobicContact CZ2-CG 4.3Å; W192-R196 HydrophobicContact CZ3-CB 3.87Å; W192-R196 HydrophobicContact CZ3-CG 3.92Å; W192-R196 VanDerWaalsContact O-CB 3.28Å; W192-R196 WeakPolarHBondContact O-CB 3.29Å; W192-R196 PolarHBondContact O-N 3.49Å
193F98.6Very high97.6Very high9 Ų974.7 Ų74.74%0.03935%0.347CS..Hα-helixtrans-62.1-39.2177.1-90.6-96.8000112.1L160 F164 L170 L178 V189 K190 R196 R197L160-F193 HydrophobicContact CD2-CE2 4.02Å; F164-F193 HydrophobicContact CB-CE1 4.15Å; F164-F193 HydrophobicContact CB-CZ 4.4Å; F164-F193 AromaticContact CD2-CD1 3.88Å; F164-F193 HydrophobicContact CD2-CD1 3.88Å; F164-F193 AromaticContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CD2-CE1 3.8Å; F164-F193 HydrophobicContact CG-CE1 4.49Å; L170-F193 HydrophobicContact CD1-CD1 4.31Å; L170-F193 HydrophobicContact CD1-CD2 3.88Å; L170-F193 HydrophobicContact CD1-CE1 3.8Å; L170-F193 HydrophobicContact CD1-CE2 3.32Å; L170-F193 HydrophobicContact CD1-CG 4.37Å; L170-F193 HydrophobicContact CD1-CZ 3.28Å; L170-F193 HydrophobicContact CD2-CE1 4.18Å; L170-F193 HydrophobicContact CD2-CZ 4.17Å; L170-F193 HydrophobicContact CG-CD1 4.04Å; L170-F193 HydrophobicContact CG-CD2 4.47Å; L170-F193 HydrophobicContact CG-CE1 3.56Å; L170-F193 HydrophobicContact CG-CE2 4.06Å; L170-F193 HydrophobicContact CG-CG 4.49Å; L170-F193 HydrophobicContact CG-CZ 3.6Å; L178-F193 HydrophobicContact CD2-CE2 3.87Å; L178-F193 HydrophobicContact CD2-CZ 4.25Å; V189-F193 HydrophobicContact CG1-CD2 3.77Å; V189-F193 HydrophobicContact CG1-CE2 3.89Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.3Å; K190-F193 PolarHBondContact O-N 3.06Å; F193-R196 PolarHBondContact O-N 3.02Å; F193-R197 WeakPolarHBondContact O-CB 3.47Å; F193-R197 WeakPolarHBondContact O-CG 3.42Å; F193-R197 PolarHBondContact O-N 3.17Å
194Q98.6Very high97.4Very high87 Ų8767.5 Ų67.541%0.40732%0.32SS..Hα-helixtrans-60.7-50.6174.4-176.959.741.200111.6K190 T191 W192 R196 R197 T198K190-Q194 WeakPolarHBondContact O-CB 3.21Å; K190-Q194 PolarHBondContact O-N 2.88Å; T191-Q194 PolarHBondContact O-N 3.47Å; W192-Q194 VanDerWaalsContact C-N 3.32Å; W192-Q194 PolarHBondContact O-N 3.41Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.05Å; Q194-R197 PolarHBondContact O-N 3.44Å; Q194-T198 PolarHBondContact O-N 3.46Å; Q194-T198 PolarHBondContact O-OG1 2.93Å
195N98.1Very high97.1Very high101 Ų10169.5 Ų69.554%0.5434%0.34SS..Hα-helixtrans-63.4-40.9179.3-69.1-15.1000111.3T191 W192 T198 K199T191-N195 WeakPolarHBondContact O-CB 3.39Å; T191-N195 VanDerWaalsContact O-CG 3.22Å; T191-N195 PolarHBondContact O-N 2.9Å; T191-N195 PolarHBondContact O-ND2 3.19Å; W192-N195 PolarHBondContact O-N 3.14Å; N195-T198 PolarHBondContact O-N 3.49Å; N195-K199 PolarHBondContact O-N 3.39Å
196R98.4Very high96.7Very high45 Ų4572.5 Ų72.517%0.1735%0.348CS..Hα-helixtrans-63.2-43.7178.6-173.565.5-171.6115.9-5.4111.8E161 F164 W192 F193 Q194 K199 W200E161-R196 IonicContact OE1-CZ 3.35Å; E161-R196 IonicContact OE1-NE 3.1Å; E161-R196 PolarHBondContact OE1-NE 3.46Å; E161-R196 VanDerWaalsContact OE1-NE 3.1Å; E161-R196 IonicContact OE1-NH2 3.48Å; E161-R196 PolarHBondContact OE1-NH2 2.93Å; E161-R196 WeakPolarHBondContact OE2-CD 3.12Å; E161-R196 IonicContact OE2-CZ 3.61Å; E161-R196 IonicContact OE2-NE 2.77Å; E161-R196 PolarHBondContact OE2-NE 3.39Å; E161-R196 IonicContact OE2-NH2 3.52Å; F164-R196 HydrophobicContact CD1-CG 3.71Å; F164-R196 HydrophobicContact CD2-CB 4.39Å; F164-R196 HydrophobicContact CD2-CG 3.81Å; F164-R196 HydrophobicContact CE1-CG 3.63Å; F164-R196 HydrophobicContact CE2-CB 4.23Å; F164-R196 HydrophobicContact CE2-CG 3.74Å; F164-R196 HydrophobicContact CG-CG 3.8Å; F164-R196 HydrophobicContact CZ-CB 4.46Å; F164-R196 HydrophobicContact CZ-CG 3.65Å; W192-R196 HydrophobicContact CD2-CB 4.48Å; W192-R196 HydrophobicContact CE3-CB 4.11Å; W192-R196 HydrophobicContact CH2-CB 4.05Å; W192-R196 HydrophobicContact CH2-CG 3.72Å; W192-R196 HydrophobicContact CZ2-CB 4.45Å; W192-R196 HydrophobicContact CZ2-CG 4.3Å; W192-R196 HydrophobicContact CZ3-CB 3.87Å; W192-R196 HydrophobicContact CZ3-CG 3.92Å; W192-R196 VanDerWaalsContact O-CB 3.28Å; W192-R196 WeakPolarHBondContact O-CB 3.29Å; W192-R196 PolarHBondContact O-N 3.49Å; F193-R196 PolarHBondContact O-N 3.02Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.05Å; R196-K199 PolarHBondContact O-N 3.11Å; R196-W200 WeakPolarHBondContact O-CB 3.32Å; R196-W200 PolarHBondContact O-N 3.36Å
197R98.4Very high96.2Very high47 Ų4774.5 Ų74.518%0.17736%0.359CS..Hα-helixtrans-62.3-40.4172.9-73.3-175.3-60.8-155.34.3112.6F164 K168 F193 Q194 W200 R201F164-R197 HydrophobicContact CE2-CG 3.89Å; F164-R197 HydrophobicContact CZ-CG 4.38Å; K168-R197 WeakPolarHBondContact O-CD 3.47Å; F193-R197 WeakPolarHBondContact O-CB 3.47Å; F193-R197 WeakPolarHBondContact O-CG 3.42Å; F193-R197 PolarHBondContact O-N 3.17Å; Q194-R197 PolarHBondContact O-N 3.44Å; R197-W200 PolarHBondContact O-N 3.38Å; R197-R201 WeakPolarHBondContact O-CG 3.33Å; R197-R201 PolarHBondContact O-N 2.89Å
198T98.2Very high95.6Very high33 Ų3378.6 Ų78.620%0.20237%0.367CS..Hα-helixtrans-62.1-45.2175.3-62.70000111.1Q194 N195 R201 R202Q194-T198 PolarHBondContact O-N 3.46Å; Q194-T198 PolarHBondContact O-OG1 2.93Å; N195-T198 PolarHBondContact O-N 3.49Å; T198-R201 PolarHBondContact O-N 3Å; T198-R201 PolarHBondContact OG1-NH2 3.31Å; T198-R202 WeakPolarHBondContact O-CG 3.3Å; T198-R202 PolarHBondContact O-N 3.44Å; T198-R202 VanDerWaalsContact O-N 3.14Å
199K98.1Very high94.9Very high120 Ų12078 Ų7852%0.52236%0.364SS..Hα-helixtrans-61.2-46.2174.8-173.8176.2-179.7-178.70111.4N195 R196 R201 R202 Q203N195-K199 PolarHBondContact O-N 3.39Å; R196-K199 PolarHBondContact O-N 3.11Å; K199-R201 PolarHBondContact O-N 3.41Å; K199-R202 PolarHBondContact O-N 3.42Å; K199-R202 VanDerWaalsContact O-N 3.17Å; K199-Q203 HydrophobicContact CG-CG 4.43Å; K199-Q203 VanDerWaalsContact O-CG 3.32Å; K199-Q203 WeakPolarHBondContact O-CG 3.46Å; K199-Q203 PolarHBondContact O-N 3.32Å
200W97.5Very high93.9Very high100 Ų10083.6 Ų83.638%0.37939%0.39SS..Hα-helixtrans-58.3-46.4178.2173.970.8000112.3F164 R196 R197 R202 Q203 T204F164-W200 HydrophobicContact CE1-CB 4.45Å; F164-W200 HydrophobicContact CZ-CB 4.17Å; F164-W200 HydrophobicContact CZ-CG 4.38Å; R196-W200 WeakPolarHBondContact O-CB 3.32Å; R196-W200 PolarHBondContact O-N 3.36Å; R197-W200 PolarHBondContact O-N 3.38Å; W200-R202 VanDerWaalsContact C-N 3.3Å; W200-R202 PolarHBondContact O-N 3.05Å; W200-Q203 PolarHBondContact O-N 3.25Å; W200-T204 PolarHBondContact O-N 3.42Å; W200-T204 PolarHBondContact O-OG1 2.91Å; W200-T204 VanDerWaalsContact O-OG1 3.07Å
201R97.2Very high92.7Very high142 Ų14285.2 Ų85.254%0.53640%0.4SS..Hα-helixtrans-62.1-35.8176.4-74.6-174-61.8132.30.8113.3R197 T198 K199 A205R197-R201 WeakPolarHBondContact O-CG 3.33Å; R197-R201 PolarHBondContact O-N 2.89Å; T198-R201 PolarHBondContact O-N 3Å; T198-R201 PolarHBondContact OG1-NH2 3.31Å; K199-R201 PolarHBondContact O-N 3.41Å; R201-A205 WeakPolarHBondContact O-CB 3.32Å; R201-A205 PolarHBondContact O-N 3.44Å; R201-A205 VanDerWaalsContact O-N 3.16Å
202R95.5Very high91.7Very high152 Ų15291 Ų9157%0.57441%0.413SS*.Hα-helixtrans-66.1-48.7175.5-73.5177.4176.3163.2-2.9110.8T198 K199 W200 T204 A205 E206T198-R202 WeakPolarHBondContact O-CG 3.3Å; T198-R202 PolarHBondContact O-N 3.44Å; T198-R202 VanDerWaalsContact O-N 3.14Å; K199-R202 PolarHBondContact O-N 3.42Å; K199-R202 VanDerWaalsContact O-N 3.17Å; W200-R202 VanDerWaalsContact C-N 3.3Å; W200-R202 PolarHBondContact O-N 3.05Å; R202-T204 PolarHBondContact O-N 3.32Å; R202-A205 WeakPolarHBondContact O-CB 3.44Å; R202-A205 PolarHBondContact O-N 3.38Å; R202-E206 WeakPolarHBondContact O-CG 3.25Å; R202-E206 PolarHBondContact O-N 3.38Å
203Q94.3Very high90.2Very high65 Ų6595.3 Ų95.330%0.30444%0.435SS..Hα-helixtrans-57.7-48.6177.2-68.4175.2-4700111.7K199 W200 A205 E206 D207K199-Q203 HydrophobicContact CG-CG 4.43Å; K199-Q203 VanDerWaalsContact O-CG 3.32Å; K199-Q203 WeakPolarHBondContact O-CG 3.46Å; K199-Q203 PolarHBondContact O-N 3.32Å; W200-Q203 PolarHBondContact O-N 3.25Å; Q203-A205 PolarHBondContact O-N 3.33Å; Q203-E206 PolarHBondContact O-N 3.25Å; Q203-E206 VanDerWaalsContact O-N 3.14Å; Q203-D207 PolarHBondContact O-N 3.48Å
204T92.3Very high88.1Confident48 Ų48100.6 Ų100.629%0.29446%0.464SS..Hα-helixtrans-65-25.8177.8-54.40000113.6W200 R202 K208W200-T204 PolarHBondContact O-N 3.42Å; W200-T204 PolarHBondContact O-OG1 2.91Å; W200-T204 VanDerWaalsContact O-OG1 3.07Å; R202-T204 PolarHBondContact O-N 3.32Å; T204-K208 VanDerWaalsContact O-CG 3.3Å; T204-K208 WeakPolarHBondContact O-CG 3.18Å
205A90.9Very high86.2Confident60 Ų60100.6 Ų100.650%0.49647%0.471SS..Hα-helixtrans-77.8-38.7174.300000111.6R201 R202 Q203 E209R201-A205 WeakPolarHBondContact O-CB 3.32Å; R201-A205 PolarHBondContact O-N 3.44Å; R201-A205 VanDerWaalsContact O-N 3.16Å; R202-A205 WeakPolarHBondContact O-CB 3.44Å; R202-A205 PolarHBondContact O-N 3.38Å; Q203-A205 PolarHBondContact O-N 3.33Å; A205-E209 PolarHBondContact O-N 3.27Å
206E90Very high83.9Confident117 Ų117101 Ų10155%0.54748%0.48SS..Hα-helixtrans-66.2-45.2176.1-70157.1-161.900111.2R202 Q203 K208 E209 Q210R202-E206 WeakPolarHBondContact O-CG 3.25Å; R202-E206 PolarHBondContact O-N 3.38Å; Q203-E206 PolarHBondContact O-N 3.25Å; Q203-E206 VanDerWaalsContact O-N 3.14Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 PolarHBondContact O-N 3.25Å; E206-E209 PolarHBondContact O-N 3.11Å; E206-Q210 PolarHBondContact O-N 3.09Å
207D87Confident81.5Confident101 Ų101108.3 Ų108.354%0.5451%0.513SS..Hα-helixtrans-58.5-39.7177.6-61.4-26.3000111.8Q203 Q210 E211Q203-D207 PolarHBondContact O-N 3.48Å; D207-Q210 PolarHBondContact O-N 3.42Å; D207-E211 PolarHBondContact O-N 3.25Å
208K84.1Confident79.1Confident137 Ų137115.6 Ų115.660%0.59654%0.542SS*.Hα-helixtrans-69.7-31.2176.7-77.3179.7171.5-168.80113.5T204 E206T204-K208 VanDerWaalsContact O-CG 3.3Å; T204-K208 WeakPolarHBondContact O-CG 3.18Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 PolarHBondContact O-N 3.25Å
209E82.4Confident76.8Confident54 Ų54120.3 Ų120.325%0.25257%0.565SS.*Hα-helixtrans-76.4-39.5176-17758.6-149.100110A205 E206 E211 R212 Q213A205-E209 PolarHBondContact O-N 3.27Å; E206-E209 PolarHBondContact O-N 3.11Å; E209-E211 PolarHBondContact O-N 3.42Å; E209-R212 WeakPolarHBondContact O-CA 3.07Å; E209-R212 WeakPolarHBondContact O-CB 3.42Å; E209-R212 PolarHBondContact O-N 2.99Å; E209-Q213 WeakPolarHBondContact O-CG 3.45Å; E209-Q213 PolarHBondContact O-N 3.49Å; E209-Q213 PolarHBondContact OE1-NE2 3.46Å
210Q78.2Confident74.2Confident117 Ų117124 Ų12455%0.54758%0.584SS.*Hα-helixtrans-62.4-40.7175.8-172.3168.91.400112.2E206 D207 R212 Q213 D214E206-Q210 PolarHBondContact O-N 3.09Å; D207-Q210 PolarHBondContact O-N 3.42Å; Q210-R212 PolarHBondContact O-N 3.15Å; Q210-Q213 CarbonylContact O-C 3.48Å; Q210-Q213 WeakPolarHBondContact O-CA 3.44Å; Q210-Q213 PolarHBondContact O-N 3.2Å; Q210-D214 PolarHBondContact O-N 3.45Å
211E73.4Confident71.7Confident152 Ų152128.5 Ų128.571%0.7161%0.609SS**Hα-helixtrans-57.9-30.8172.4-172.6-179.2-177.100112.4D207 E209D207-E211 PolarHBondContact O-N 3.25Å; E209-E211 PolarHBondContact O-N 3.42Å
212R75.1Confident68.9Low192 Ų192124.2 Ų124.273%0.72560%0.604SS**Hα-helixtrans-80.5-20.7172.8-60.5-159.5-144-164.310.9114E209 Q210 P215E209-R212 WeakPolarHBondContact O-CA 3.07Å; E209-R212 WeakPolarHBondContact O-CB 3.42Å; E209-R212 PolarHBondContact O-N 2.99Å; Q210-R212 PolarHBondContact O-N 3.15Å; R212-P215 WeakPolarHBondContact O-CD 3.47Å
213Q66.9Low66.2Low122 Ų122123 Ų12357%0.5762%0.619SS**Hα-helixtrans-96.1-5.4-179.8-67-176.121.400113.4E209 Q210 P215E209-Q213 WeakPolarHBondContact O-CG 3.45Å; E209-Q213 PolarHBondContact O-N 3.49Å; E209-Q213 PolarHBondContact OE1-NE2 3.46Å; Q210-Q213 CarbonylContact O-C 3.48Å; Q210-Q213 WeakPolarHBondContact O-CA 3.44Å; Q210-Q213 PolarHBondContact O-N 3.2Å; Q213-P215 VanDerWaalsContact C-N 3.31Å; Q213-P215 WeakPolarHBondContact O-CD 3.44Å
214D55.9Low63.4Low121 Ų121128.8 Ų128.865%0.64764%0.644SS**THydrogen-bonded Turntrans-7522.8167.5-77.8-35.3000116.7Q210Q210-D214 PolarHBondContact O-N 3.45Å
215P57.6Low61Low87 Ų87132 Ų13257%0.56567%0.666SS**THydrogen-bonded Turntrans-93.9-3.6162.728.1-21.2000115.5R212 Q213 K217 Y218R212-P215 WeakPolarHBondContact O-CD 3.47Å; Q213-P215 VanDerWaalsContact C-N 3.31Å; Q213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-K217 PolarHBondContact O-N 3.4Å; P215-Y218 VanDerWaalsContact O-O 3.09Å
216C49.9Very low58.3Low108 Ų108139.6 Ų139.673%0.7369%0.688SS**THydrogen-bonded Turntrans-97.334.8-176.6-114.80000115.9
217K48Very low55.6Low200 Ų200137.2 Ų137.287%0.8769%0.694SS**THydrogen-bonded Turntrans-97.8-0.3153.3-76.5-149176.7-176.20113.6P215P215-K217 PolarHBondContact O-N 3.4Å
218Y49.6Very low53.2Low199 Ų199141.3 Ų141.378%0.7871%0.707SS**SBendtrans-125.3142163.3-73.4-86.7000106.7P215P215-Y218 VanDerWaalsContact O-O 3.09Å
219I47.9Very low51.4Low133 Ų133140 Ų14068%0.68272%0.722SS**  trans89.758.2-173.3-38.6162.4000114A222I219-A222 HydrophobicContact CG2-CB 4.45Å
220E44.4Very low49.5Very low196 Ų196145.2 Ų145.292%0.91675%0.746SS**SBendtrans-109.54.5139.4-160165.8-163.900111.9
221E45Very low47.8Very low195 Ų195144 Ų14491%0.91175%0.751SS**SBendtrans-125.760.2173.1-67.2-168.6-16000111.8
222A37.6Very low46.6Very low53 Ų53144.4 Ų144.444%0.43876%0.757SS.*  trans-150.693.7154.500000108.6I219 F224I219-A222 HydrophobicContact CG2-CB 4.45Å; A222-F224 HydrophobicContact CB-CD2 4.38Å; A222-F224 PolarHBondContact O-N 3.13Å
223S40.5Very low45.2Very low127 Ų127140 Ų14089%0.88876%0.755SS**  trans-42.1101163.8-51.90000110.8
224F35.2Very low44.1Very low186 Ų186143.7 Ų143.782%0.81677%0.766SS**  trans-124.9128164.2-93.3-84.8000109.5A222A222-F224 HydrophobicContact CB-CD2 4.38Å; A222-F224 PolarHBondContact O-N 3.13Å
225P42.1Very low43.8Very low116 Ų116144.9 Ų144.975%0.75377%0.765SS**  trans-85.8142.6-155.133.4-34.2000113G227P225-G227 PolarHBondContact O-N 3.37Å
226F33Very low43.2Very low219 Ų219144.5 Ų144.596%0.96177%0.77SS**  trans799.7151-164.5-98.8000116.6
227G34.4Very low42.8Very low66 Ų66150.2 Ų150.268%0.6878%0.776SS**  trans176.7108.4168.300000114.2P225P225-G227 PolarHBondContact O-N 3.37Å
228K37.1Very low43Very low187 Ų187146.3 Ų146.381%0.81377%0.771SS**  trans80.274.5170.7-63.1-178.4179176.30117.5E230K228-E230 VanDerWaalsContact C-N 3.27Å; K228-E230 PolarHBondContact O-N 3.45Å; K228-E230 VanDerWaalsContact O-N 3.11Å
229A44.4Very low42.5Very low110 Ų110143.6 Ų143.691%0.90977%0.77SS**  trans-71.279.4148.900000110.1
230E44.3Very low42.1Very low163 Ų163142.9 Ų142.976%0.76277%0.772SS**  trans-126.56.4173.8-90-172.7164.900114.8K228K228-E230 VanDerWaalsContact C-N 3.27Å; K228-E230 PolarHBondContact O-N 3.45Å; K228-E230 VanDerWaalsContact O-N 3.11Å
231S41.6Very low41.8Very low92 Ų92139.3 Ų139.364%0.64377%0.767SS**  trans-132.460.3-179.3-161.20000113.5
232L48.4Very low41.8Very low160 Ų160141.5 Ų141.584%0.83878%0.782SS**  trans-123.24.5162.8-72.8178.3000113.5Y234L232-Y234 PolarHBondContact O-N 3.26Å
233S45.7Very low42Very low99 Ų99145.9 Ų145.969%0.69280%0.8SS**G310 helixtrans-76.7-7.2170.956.60000113.4F235S233-F235 VanDerWaalsContact C-N 3.28Å; S233-F235 PolarHBondContact O-N 3.05Å
234Y44.5Very low42.1Very low200 Ų200146.9 Ų146.978%0.78480%0.795SS**G310 helixtrans-75.8-8.9-173.7-128.1-91.2000115.2L232L232-Y234 PolarHBondContact O-N 3.26Å
235F48.6Very low42.5Very low146 Ų146144.7 Ų144.764%0.6479%0.794SS**G310 helixtrans-116.3-4.7-177-70.6-74.3000115.8S233 R237S233-F235 VanDerWaalsContact C-N 3.28Å; S233-F235 PolarHBondContact O-N 3.05Å; F235-R237 PolarHBondContact O-N 3.02Å; F235-R237 VanDerWaalsContact O-N 3.1Å
236A44.2Very low42.5Very low80 Ų80146.4 Ų146.466%0.66180%0.796SS**  trans-84.883.1175.400000110.8P238A236-P238 WeakPolarHBondContact O-CD 3.38Å
237R42.1Very low43.1Very low228 Ų228141.9 Ų141.986%0.8679%0.786SS**  trans-71.3115.5169.2-81.7-171.4161.2-171.1-4.5110.1F235 D239F235-R237 PolarHBondContact O-N 3.02Å; F235-R237 VanDerWaalsContact O-N 3.1Å; R237-D239 PolarHBondContact O-N 3.24Å
238P52.1Low43.7Very low117 Ų117146.9 Ų146.976%0.7679%0.793SS**  trans-80.1-7.6-171.7-15.231.6000116.5A236A236-P238 WeakPolarHBondContact O-CD 3.38Å
239D40.4Very low44.1Very low142 Ų142144.1 Ų144.176%0.75979%0.791SS**  trans-130.277.4-169.4-68.8-53.2000113.3R237R237-D239 PolarHBondContact O-N 3.24Å
240V38Very low44.1Very low119 Ų119146.7 Ų146.772%0.72178%0.782SS**  trans-136.976.4154.9-171.40000108.7
241C38.4Very low44.1Very low121 Ų121145.3 Ų145.382%0.81878%0.784SS**  trans-68.6133.7162.7-59.70000109.1
242I45.2Very low44.3Very low240 Ų240150.2 Ų150.2100%1.23180%0.797SS**  trans-49.70-172.8-64165.5000114.6

Retrieved 242 of 242 residues in 69.5 ms (Link to these results)