A0A5K4FEN0_SCHMA Loading...

Calmodulin

AlphaFold DB , UniProt , Accession A0A5K4FEN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M31Very low26.9Very low223 Ų223165.8 Ų165.8100%1.09983%0.827SS**  086.90-173.6163.514500105.8
2V29.3Very low26.9Very low139 Ų139169.8 Ų169.884%0.84283%0.825SS**  trans-93.5109.7-174.2-177.70000105.3Q4V2-Q4 PolarHBondContact O-N 2.66Å
3L25.5Very low27.1Very low144 Ų144167.2 Ų167.275%0.75483%0.829SS**  trans-70.9122.6177.2-67.6168.2000107.3
4Q26.2Very low26.9Very low184 Ų184161.1 Ų161.186%0.8683%0.831SS**  trans-77.3119.4-179.4-71.6177.1-42.800108.9V2 E6V2-Q4 PolarHBondContact O-N 2.66Å; Q4-E6 PolarHBondContact O-N 3.34Å; Q4-E6 VanDerWaalsContact O-N 3.15Å
5D26.2Very low26.9Very low150 Ų150155.1 Ų155.180%0.80282%0.824SS**  trans-7188167.9-67.8-51.3000109.6
6E27Very low26.9Very low170 Ų170153.7 Ų153.779%0.79482%0.823SS**  trans-135.5108162.7-70.9-154176.200110Q4Q4-E6 PolarHBondContact O-N 3.34Å; Q4-E6 VanDerWaalsContact O-N 3.15Å
7D27.4Very low26.8Very low150 Ų150155.4 Ų155.480%0.80283%0.825SS**  trans156.250.6138.8-75.8-20000111.4V9D7-V9 PolarHBondContact O-N 3.18Å
8Y26.2Very low26.9Very low220 Ų220153.8 Ų153.886%0.86382%0.822SS**  trans-76.8103.9158.9-79.7-83.9000108.6N10Y8-N10 PolarHBondContact O-N 2.85Å
9V28.2Very low26.9Very low126 Ų126155.3 Ų155.376%0.76482%0.82SS**  trans-60.4109.8174.3-179.60000109.2D7 F11D7-V9 PolarHBondContact O-N 3.18Å; V9-F11 PolarHBondContact O-N 3.12Å
10N25.5Very low27Very low124 Ų124156.6 Ų156.666%0.66382%0.819SS**  trans-75.3106.1-175.9-163.5-20.7000110.4Y8 R12Y8-N10 PolarHBondContact O-N 2.85Å; N10-R12 PolarHBondContact O-N 3.49Å
11F24Very low27Very low194 Ų194155.3 Ų155.385%0.85182%0.817SS**  trans-7291.8167.8-86.7-94.4000109.4V9 P13V9-F11 PolarHBondContact O-N 3.12Å; F11-P13 WeakPolarHBondContact O-CD 3.38Å
12R25.9Very low26.8Very low214 Ų214149.9 Ų149.981%0.80879%0.792SS**  trans-84.9116.4162.6-76.7-168.7177.5-1670.8109.4N10 G14N10-R12 PolarHBondContact O-N 3.49Å; R12-G14 PolarHBondContact O-N 3.47Å
13P29.6Very low26.7Very low135 Ų135149.7 Ų149.788%0.87778%0.782SS**SBendtrans-78.3113.4172.530.9-28.5000108.5F11F11-P13 WeakPolarHBondContact O-CD 3.38Å
14G24.4Very low27.4Very low83 Ų83148.5 Ų148.586%0.85678%0.782SS**  trans134.462.1176.600000113.5R12R12-G14 PolarHBondContact O-N 3.47Å
15G27.2Very low28Very low71 Ų71146.9 Ų146.973%0.73278%0.775SS**  trans-131.2106.7172.900000110
16T26.8Very low28.6Very low132 Ų132144.1 Ų144.181%0.8176%0.757SS**  trans-42.8135.517939.30000115.4V18T16-V18 PolarHBondContact O-N 3.28Å; T16-V18 VanDerWaalsContact O-N 3.07Å
17H26.1Very low29.1Very low182 Ų182138.3 Ų138.384%0.84374%0.738SS**  trans-30.8102.8168.2-66.2-88.1000114.5
18V28.6Very low29.6Very low128 Ų128139 Ų13978%0.77674%0.736SS**  trans-91.894.2152.7-177.30000106.2T16 K20T16-V18 PolarHBondContact O-N 3.28Å; T16-V18 VanDerWaalsContact O-N 3.07Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 3.3Å
19K25.7Very low30Very low181 Ų181135.4 Ų135.479%0.78773%0.725SS**  trans-59.298.9164.6-73.1-178.5176.8-178.20106.8T21K19-T21 PolarHBondContact O-N 3.44Å; K19-T21 VanDerWaalsContact O-N 3.08Å
20K28.4Very low30.2Very low182 Ų182132.8 Ų132.879%0.79171%0.707SS**  trans-65.3108.4160.7-79.5-173.8177.4-179.60105.9V18 I22V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 3.3Å; K20-I22 VanDerWaalsContact C-N 3.33Å; K20-I22 PolarHBondContact O-N 3.12Å
21T28.7Very low30.8Very low129 Ų129133.7 Ų133.779%0.79171%0.707SS**  trans-58.599.7164.8-55.60000106.6K19 E23K19-T21 PolarHBondContact O-N 3.44Å; K19-T21 VanDerWaalsContact O-N 3.08Å; T21-E23 PolarHBondContact O-N 3.44Å
22I26.7Very low31.4Very low109 Ų109131.8 Ų131.856%0.55970%0.701SS**  trans-76116.6173.3-59.3167.2000105.5K20 H26K20-I22 VanDerWaalsContact C-N 3.33Å; K20-I22 PolarHBondContact O-N 3.12Å; I22-H26 HydrophobicContact CG2-CB 4.17Å
23E26.9Very low31.6Very low135 Ų135126.3 Ų126.363%0.63169%0.685SS**  trans-60140.7176-72.6176158.700110.2T21 E25 H26T21-E23 PolarHBondContact O-N 3.44Å; E23-E25 PolarHBondContact O-N 3.11Å; E23-H26 PolarHBondContact O-N 3.01Å
24P39.6Very low31.8Very low119 Ų119125.7 Ų125.777%0.77367%0.674SS**THydrogen-bonded Turntrans-66.9-7.6-161.323.3-33.2000115.7H26P24-H26 VanDerWaalsContact C-N 3.29Å; P24-H26 PolarHBondContact O-N 3.41Å
25E39.9Very low32.4Very low150 Ų150128.7 Ų128.770%0.70166%0.664SS**THydrogen-bonded Turntrans-75.8-13.4177.761.7-177.5-156.300114.1E23E23-E25 PolarHBondContact O-N 3.11Å
26H37.5Very low32.7Very low92 Ų92130.9 Ų130.943%0.42665%0.653SS.*SBendtrans-101.1-7.4176.8-6889.5000114.2I22 E23 P24 E28 K29 D30I22-H26 HydrophobicContact CG2-CB 4.17Å; E23-H26 PolarHBondContact O-N 3.01Å; P24-H26 VanDerWaalsContact C-N 3.29Å; P24-H26 PolarHBondContact O-N 3.41Å; H26-E28 VanDerWaalsContact C-N 3.34Å; H26-E28 PolarHBondContact O-N 3.12Å; H26-K29 PolarHBondContact O-N 3.17Å; H26-D30 PolarHBondContact O-N 2.88Å
27A37.2Very low32.9Very low48 Ų48130.4 Ų130.440%0.39764%0.637SS.*Hα-helixtrans-65.1-31.8-172.500000114.1Q31A27-Q31 PolarHBondContact O-N 2.75Å; A27-Q31 VanDerWaalsContact O-N 3.15Å
28E38.6Very low33.3Very low164 Ų164123.2 Ų123.277%0.76661%0.612SS**Hα-helixtrans-73.3-33.4178.8-71.1-176163.200112.5H26 Q32H26-E28 VanDerWaalsContact C-N 3.34Å; H26-E28 PolarHBondContact O-N 3.12Å; E28-Q32 PolarHBondContact O-N 3.25Å
29K35.5Very low33.8Very low146 Ų146119.9 Ų119.964%0.63559%0.587SS**Hα-helixtrans-68.7-43.1175.1-73.3-176.61781760111.2H26 Q31 Q32 E33H26-K29 PolarHBondContact O-N 3.17Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.9Å; K29-Q32 PolarHBondContact O-N 3.14Å; K29-E33 WeakPolarHBondContact O-CB 3.33Å; K29-E33 PolarHBondContact O-N 3.12Å
30D32.1Very low34.2Very low71 Ų71114.3 Ų114.338%0.3856%0.561SS.*Hα-helixtrans-65.4-35.8178.7-70-14.6000112.1H26 Q32 N34H26-D30 PolarHBondContact O-N 2.88Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.08Å; D30-N34 VanDerWaalsContact O-CB 3.25Å; D30-N34 WeakPolarHBondContact O-CB 3.26Å; D30-N34 PolarHBondContact O-N 3.31Å
31Q36.9Very low34.6Very low142 Ų142109 Ų10966%0.66454%0.541SS*.Hα-helixtrans-70-31.3177.7-122.4166.111.800113.1A27 K29 K35A27-Q31 PolarHBondContact O-N 2.75Å; A27-Q31 VanDerWaalsContact O-N 3.15Å; K29-Q31 VanDerWaalsContact C-N 3.34Å; K29-Q31 PolarHBondContact O-N 2.9Å; Q31-K35 WeakPolarHBondContact O-CG 3.44Å; Q31-K35 PolarHBondContact O-N 3.07Å
32Q37.3Very low34.9Very low154 Ų154103.3 Ų103.372%0.7251%0.507SS*.Hα-helixtrans-79.3-36.3177.2-153.2150.114.800111.5E28 K29 D30 K36E28-Q32 PolarHBondContact O-N 3.25Å; K29-Q32 PolarHBondContact O-N 3.14Å; D30-Q32 VanDerWaalsContact C-N 3.34Å; D30-Q32 PolarHBondContact O-N 3.08Å; Q32-K36 PolarHBondContact O-N 3.03Å
33E30.1Very low35.4Very low99 Ų99101.2 Ų101.246%0.46350%0.499SS..Hα-helixtrans-66.8-46.2172-82.6-167-178.300112.3K29 K35 K36 Y37K29-E33 WeakPolarHBondContact O-CB 3.33Å; K29-E33 PolarHBondContact O-N 3.12Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.26Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 WeakPolarHBondContact O-CA 3.37Å; E33-K36 VanDerWaalsContact O-CB 3.29Å; E33-K36 WeakPolarHBondContact O-CB 3.49Å; E33-K36 PolarHBondContact O-N 2.99Å; E33-Y37 HydrophobicContact CB-CD2 4.19Å; E33-Y37 HydrophobicContact CB-CE2 3.82Å; E33-Y37 HydrophobicContact CG-CE2 4.24Å; E33-Y37 WeakPolarHBondContact O-CD2 3.44Å; E33-Y37 PolarHBondContact O-N 3.15Å
34N33Very low35.7Very low123 Ų12398.5 Ų98.566%0.65848%0.483SS*.Hα-helixtrans-65.9-31.8-179-144.414.3000112.3D30 G38D30-N34 VanDerWaalsContact O-CB 3.25Å; D30-N34 WeakPolarHBondContact O-CB 3.26Å; D30-N34 PolarHBondContact O-N 3.31Å; N34-G38 PolarHBondContact O-N 3.35Å
35K38.3Very low35.5Very low146 Ų14699.4 Ų99.464%0.63548%0.475SS*.Hα-helixtrans-66.8-34.8168.7-80.6-178.5-179.7178.40112.7Q31 E33 K39Q31-K35 WeakPolarHBondContact O-CG 3.44Å; Q31-K35 PolarHBondContact O-N 3.07Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 3.26Å; K35-K39 WeakPolarHBondContact O-CD 3.48Å; K35-K39 WeakPolarHBondContact O-CE 3.47Å; K35-K39 VanDerWaalsContact O-CG 3.29Å; K35-K39 WeakPolarHBondContact O-CG 3.27Å
36K33.4Very low35.3Very low116 Ų11692.9 Ų92.950%0.50444%0.444SS..Hα-helixtrans-69.1-41.9175.8-172.4-179.1179.9-1790111.3Q32 E33Q32-K36 PolarHBondContact O-N 3.03Å; E33-K36 CarbonylContact O-C 3.59Å; E33-K36 WeakPolarHBondContact O-CA 3.37Å; E33-K36 VanDerWaalsContact O-CB 3.29Å; E33-K36 WeakPolarHBondContact O-CB 3.49Å; E33-K36 PolarHBondContact O-N 2.99Å
37Y30.6Very low35.3Very low123 Ų12389.6 Ų89.648%0.48243%0.431SS..Hα-helixtrans-76.7-32.5179.9-63.6-65.9000113.3E33 K39 W40 N41E33-Y37 HydrophobicContact CB-CD2 4.19Å; E33-Y37 HydrophobicContact CB-CE2 3.82Å; E33-Y37 HydrophobicContact CG-CE2 4.24Å; E33-Y37 WeakPolarHBondContact O-CD2 3.44Å; E33-Y37 PolarHBondContact O-N 3.15Å; Y37-K39 VanDerWaalsContact C-N 3.31Å; Y37-K39 PolarHBondContact O-N 2.88Å; Y37-W40 PolarHBondContact O-N 2.83Å; Y37-N41 PolarHBondContact O-N 3.12Å
38G34.8Very low35.1Very low31 Ų3189.4 Ų89.432%0.3243%0.425SS..Hα-helixtrans-61.5-35.1174.100000113.8N34 N41 T42N34-G38 PolarHBondContact O-N 3.35Å; G38-N41 PolarHBondContact O-N 3.17Å; G38-T42 PolarHBondContact O-OG1 2.95Å
39K37.8Very low35Very low57 Ų5788 Ų8825%0.24842%0.423CS..Hα-helixtrans-61.5-43.1173.3-68167.9-169-171.20112K35 Y37 T42 F166 I170K35-K39 WeakPolarHBondContact O-CD 3.48Å; K35-K39 WeakPolarHBondContact O-CE 3.47Å; K35-K39 VanDerWaalsContact O-CG 3.29Å; K35-K39 WeakPolarHBondContact O-CG 3.27Å; Y37-K39 VanDerWaalsContact C-N 3.31Å; Y37-K39 PolarHBondContact O-N 2.88Å; K39-T42 PolarHBondContact O-N 3.47Å; K39-F166 HydrophobicContact CB-CZ 4.35Å; K39-F166 HydrophobicContact CD-CE1 4.45Å; K39-F166 HydrophobicContact CG-CD1 4.27Å; K39-F166 HydrophobicContact CG-CE1 3.47Å; K39-F166 VanDerWaalsContact CG-CE1 3.47Å; K39-F166 HydrophobicContact CG-CZ 3.72Å; K39-I170 HydrophobicContact CD-CG2 3.91Å; K39-I170 HydrophobicContact CG-CG2 4.47Å
40W34.4Very low34.9Very low65 Ų6581.2 Ų81.225%0.24639%0.394CS..Hα-helixtrans-67.5-36.8179.5-89.6101.3000113.5Y37 T42 V43 R44 F194 F202Y37-W40 PolarHBondContact O-N 2.83Å; W40-T42 PolarHBondContact O-N 3.33Å; W40-V43 PolarHBondContact O-N 3.49Å; W40-R44 VanDerWaalsContact O-CB 3.23Å; W40-R44 WeakPolarHBondContact O-CB 3.27Å; W40-R44 PolarHBondContact O-N 3.01Å; W40-F194 HydrophobicContact CH2-CE1 4.03Å; W40-F194 HydrophobicContact CZ2-CE1 4.07Å; W40-F194 HydrophobicContact CZ2-CZ 4.17Å; W40-F202 HydrophobicContact CE3-CZ 4.45Å; W40-F202 AromaticContact CH2-CZ 3.72Å; W40-F202 HydrophobicContact CH2-CZ 3.72Å; W40-F202 AromaticContact CZ3-CE1 3.81Å; W40-F202 HydrophobicContact CZ3-CE1 3.81Å; W40-F202 AromaticContact CZ3-CZ 3.42Å; W40-F202 HydrophobicContact CZ3-CZ 3.42Å; W40-F202 VanDerWaalsContact CZ3-CZ 3.42Å
41N36.9Very low35Very low69 Ų6978.5 Ų78.537%0.36938%0.38SS..Hα-helixtrans-62.8-14.5179.6-72-18.4000113.8Y37 G38 R44 K45Y37-N41 PolarHBondContact O-N 3.12Å; G38-N41 PolarHBondContact O-N 3.17Å; N41-R44 WeakPolarHBondContact O-CB 3.47Å; N41-K45 WeakPolarHBondContact O-CG 3.44Å; N41-K45 PolarHBondContact O-N 3.44Å
42T35Very low35Very low11 Ų1180 Ų807%0.06739%0.388CS..Hα-helixtrans-92.2-49.7-178.3-48.90000111.9G38 K39 W40 R44 K45 L46 L159 F162 L164G38-T42 PolarHBondContact O-OG1 2.95Å; K39-T42 PolarHBondContact O-N 3.47Å; W40-T42 PolarHBondContact O-N 3.33Å; T42-R44 PolarHBondContact O-N 3.28Å; T42-K45 PolarHBondContact O-N 3.47Å; T42-L46 PolarHBondContact O-N 3.31Å; T42-L159 HydrophobicContact CG2-CD2 4.17Å; T42-F162 HydrophobicContact CG2-CB 4.01Å; T42-F162 HydrophobicContact CG2-CG 4.26Å; T42-L164 VanDerWaalsContact CB-CD1 3.45Å; T42-L164 HydrophobicContact CG2-CD1 3.15Å; T42-L164 HydrophobicContact CG2-CG 4.39Å; T42-L164 WeakPolarHBondContact OG1-CD1 3.27Å
43V37Very low35Very low65 Ų6578.5 Ų78.539%0.39438%0.38SS..Hα-helixtrans-54.4-36.9169-179.10000109.2W40 L46 V47W40-V43 PolarHBondContact O-N 3.49Å; V43-L46 WeakPolarHBondContact O-CB 3.33Å; V43-L46 PolarHBondContact O-N 3.11Å; V43-V47 HydrophobicContact CG1-CG2 4.36Å; V43-V47 VanDerWaalsContact O-CG2 3.24Å; V43-V47 WeakPolarHBondContact O-CG2 3.44Å; V43-V47 PolarHBondContact O-N 3.14Å
44R34.7Very low35.8Very low78 Ų7877.1 Ų77.129%0.29438%0.375SS..Hα-helixtrans-55.9-48.5171.2-167.6-171-178.5130.310.3113.8W40 N41 T42 T48 E206 I207W40-R44 VanDerWaalsContact O-CB 3.23Å; W40-R44 WeakPolarHBondContact O-CB 3.27Å; W40-R44 PolarHBondContact O-N 3.01Å; N41-R44 WeakPolarHBondContact O-CB 3.47Å; T42-R44 PolarHBondContact O-N 3.28Å; R44-T48 WeakPolarHBondContact O-CB 3.39Å; R44-T48 PolarHBondContact O-N 3.48Å; R44-T48 PolarHBondContact O-OG1 2.88Å; R44-E206 PolarHBondContact NH2-O 2.92Å; R44-I207 HydrophobicContact CB-CG2 4.3Å; R44-I207 HydrophobicContact CG-CB 4.49Å; R44-I207 HydrophobicContact CG-CG2 3.38Å; R44-I207 VanDerWaalsContact CZ-O 3.3Å; R44-I207 PolarHBondContact NE-O 3.3Å; R44-I207 PolarHBondContact NH2-O 2.96Å
45K34.8Very low36.8Very low138 Ų13876 Ų7660%0.637%0.369SS*.Hα-helixtrans-67.3-34.7177.4-75.9177.8-179.5-178.10112.7N41 T42 T48N41-K45 WeakPolarHBondContact O-CG 3.44Å; N41-K45 PolarHBondContact O-N 3.44Å; T42-K45 PolarHBondContact O-N 3.47Å; K45-T48 WeakPolarHBondContact O-CB 3.36Å
46L34.7Very low37.8Very low12 Ų1273.6 Ų73.66%0.06337%0.367CS..Hα-helixtrans-63.3-50.6176.8-96.1160.3000112.1T42 V43 T48 N49 L138 L142 I158 F162T42-L46 PolarHBondContact O-N 3.31Å; V43-L46 WeakPolarHBondContact O-CB 3.33Å; V43-L46 PolarHBondContact O-N 3.11Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.12Å; L46-N49 PolarHBondContact O-N 2.95Å; L46-L138 HydrophobicContact CB-CD1 4.06Å; L46-L142 HydrophobicContact CD1-CD2 4.5Å; L46-I158 HydrophobicContact CD1-CG1 3.82Å; L46-I158 HydrophobicContact CD2-CD1 3.95Å; L46-I158 HydrophobicContact CD2-CG1 3.81Å; L46-I158 HydrophobicContact CG-CG1 4.39Å; L46-F162 HydrophobicContact CD1-CD2 3.93Å; L46-F162 HydrophobicContact CD1-CE2 3.77Å; L46-F162 HydrophobicContact CD1-CZ 4.45Å; L46-F162 HydrophobicContact CD2-CD2 4.11Å; L46-F162 HydrophobicContact CD2-CE2 3.11Å; L46-F162 HydrophobicContact CD2-CZ 3.38Å; L46-F162 HydrophobicContact CG-CD2 3.83Å; L46-F162 HydrophobicContact CG-CE1 4.3Å; L46-F162 HydrophobicContact CG-CE2 3.23Å; L46-F162 HydrophobicContact CG-CZ 3.48Å; L46-F162 VanDerWaalsContact CG-CZ 3.48Å
47V37.5Very low39.4Very low24 Ų2470 Ų7015%0.14536%0.357CS..Hα-helixtrans-65.5-30.2179.31750000112V43 N49 L138 I204 I207V43-V47 HydrophobicContact CG1-CG2 4.36Å; V43-V47 VanDerWaalsContact O-CG2 3.24Å; V43-V47 WeakPolarHBondContact O-CG2 3.44Å; V43-V47 PolarHBondContact O-N 3.14Å; V47-N49 VanDerWaalsContact C-N 3.31Å; V47-N49 PolarHBondContact O-N 2.91Å; V47-L138 HydrophobicContact CG2-CD1 3.92Å; V47-L138 HydrophobicContact CG2-CD2 3.82Å; V47-L138 HydrophobicContact CG2-CG 4.48Å; V47-I204 HydrophobicContact CG1-CG1 4.22Å; V47-I207 HydrophobicContact CG1-CD1 3.97Å
48T34.8Very low41Very low44 Ų4467.8 Ų67.827%0.2735%0.35SS..Hα-helixtrans-60.2-33.4-179.4-71.90000113.8R44 K45 L46 L208R44-T48 WeakPolarHBondContact O-CB 3.39Å; R44-T48 PolarHBondContact O-N 3.48Å; R44-T48 PolarHBondContact O-OG1 2.88Å; K45-T48 WeakPolarHBondContact O-CB 3.36Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3.12Å; T48-L208 HydrophobicContact CG2-CD2 3.23Å
49N36.3Very low42.4Very low134 Ų13471.8 Ų71.872%0.71736%0.362SS*.Hα-helixtrans-86-24.1-174.5-83.2-28.2000114.4L46 V47L46-N49 PolarHBondContact O-N 2.95Å; V47-N49 VanDerWaalsContact C-N 3.31Å; V47-N49 PolarHBondContact O-N 2.91Å
50A33.2Very low43.9Very low4 Ų474.4 Ų74.43%0.03338%0.378CS..Hα-helixtrans-82.7-18.8-172.100000114.1Q52 E137A50-Q52 PolarHBondContact O-N 2.99Å; A50-E137 HydrophobicContact CB-CB 4.39Å; A50-E137 HydrophobicContact CB-CG 4.08Å
51S34.3Very low45.7Very low14 Ų1477 Ų7710%0.09839%0.388CS..  trans-95.833.9-154.652.60000118H53 I204S51-H53 PolarHBondContact O-N 3.45Å; S51-I204 VanDerWaalsContact CB-CG1 3.45Å; S51-I204 WeakPolarHBondContact OG-CG2 2.92Å
52Q35.9Very low47.2Very low174 Ų17474.3 Ų74.381%0.81337%0.373SS*.  trans-88.412.1-179.3-69.1-16615.600115.5A50A50-Q52 PolarHBondContact O-N 2.99Å
53H38.5Very low48.8Very low122 Ų12277.4 Ų77.457%0.56540%0.396SS*.  trans-122.776.2-167.4-63.3-60.1000115.4S51S51-H53 PolarHBondContact O-N 3.45Å
54I47Very low50.5Low69 Ų6977.9 Ų77.935%0.35440%0.402SS..  trans-90.9122135.8-68.1175000105.9T56 M59 I126 K130I54-T56 PolarHBondContact O-N 2.77Å; I54-M59 HydrophobicContact CG2-CB 4.42Å; I54-I126 HydrophobicContact CD1-CG2 4.23Å; I54-K130 HydrophobicContact CD1-CD 4.31Å; I54-K130 HydrophobicContact CG1-CD 4.43Å
55N54Low52.2Low101 Ų10174.9 Ų74.954%0.5439%0.392SS..  trans-64.5111.6172.3-166.9-36.6000107.6S57 Q58N55-S57 VanDerWaalsContact CG-OG 3.23Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 WeakPolarHBondContact OD1-CB 3.21Å; N55-S57 PolarHBondContact OD1-N 3.3Å; N55-S57 PolarHBondContact OD1-OG 2.93Å; N55-Q58 PolarHBondContact O-N 2.93Å
56T57.7Low53.8Low95 Ų9570 Ų7058%0.58337%0.37SS*.Hα-helixtrans-45.5-28.5-178.1-47.40000112.8I54 L60I54-T56 PolarHBondContact O-N 2.77Å; T56-L60 HydrophobicContact CG2-CD1 4.37Å; T56-L60 WeakPolarHBondContact O-CG 3.22Å; T56-L60 PolarHBondContact O-N 2.76Å
57S67.7Low55.6Low41 Ų4172.9 Ų72.929%0.28739%0.392SS..Hα-helixtrans-63-37.1176.166.40000115.3N55 R61N55-S57 VanDerWaalsContact CG-OG 3.23Å; N55-S57 PolarHBondContact O-N 3.3Å; N55-S57 WeakPolarHBondContact OD1-CB 3.21Å; N55-S57 PolarHBondContact OD1-N 3.3Å; N55-S57 PolarHBondContact OD1-OG 2.93Å; S57-R61 PolarHBondContact O-N 3.12Å
58Q64.7Low57.3Low75 Ų7575.1 Ų75.135%0.3541%0.405SS..Hα-helixtrans-71-43.4-179.7-75.4173.9-28.900111N55 L60 R61 L62N55-Q58 PolarHBondContact O-N 2.93Å; Q58-L60 VanDerWaalsContact C-N 3.3Å; Q58-L60 PolarHBondContact O-N 3.36Å; Q58-R61 PolarHBondContact O-N 3.35Å; Q58-L62 WeakPolarHBondContact O-CB 3.28Å; Q58-L62 PolarHBondContact O-N 3.46Å
59M64.5Low58.8Low116 Ų11673.3 Ų73.357%0.57139%0.394SS*.Hα-helixtrans-62-38.1177.9-169.7165.464.200112I54 L62 S63I54-M59 HydrophobicContact CG2-CB 4.42Å; M59-L62 PolarHBondContact O-N 3.02Å; M59-S63 WeakPolarHBondContact O-CB 3.39Å; M59-S63 PolarHBondContact O-N 3Å
60L69.4Low60.2Low111 Ų11169 Ų6958%0.58138%0.377SS*.Hα-helixtrans-65.5-42.9174.8-72171.5000112.9T56 Q58 L62 S64T56-L60 HydrophobicContact CG2-CD1 4.37Å; T56-L60 WeakPolarHBondContact O-CG 3.22Å; T56-L60 PolarHBondContact O-N 2.76Å; Q58-L60 VanDerWaalsContact C-N 3.3Å; Q58-L60 PolarHBondContact O-N 3.36Å; L60-L62 VanDerWaalsContact C-N 3.35Å; L60-S64 PolarHBondContact O-N 3.48Å; L60-S64 VanDerWaalsContact O-N 3.12Å; L60-S64 PolarHBondContact O-OG 2.87Å
61R70.6Confident61.6Low119 Ų11976 Ų7645%0.44941%0.409SS..Hα-helixtrans-61.4-46175.5-79.1-171.3-72.7-101.3-3111.1S57 Q58 S64 I65 A88S57-R61 PolarHBondContact O-N 3.12Å; Q58-R61 PolarHBondContact O-N 3.35Å; R61-S64 WeakPolarHBondContact O-CB 3.38Å; R61-S64 PolarHBondContact O-N 3.27Å; R61-I65 WeakPolarHBondContact O-CG1 3.36Å; R61-I65 PolarHBondContact O-N 2.9Å; R61-I65 VanDerWaalsContact O-N 3.17Å; R61-A88 HydrophobicContact CB-CB 3.9Å
62L68.3Low63Low13 Ų1381 Ų817%0.06843%0.43CS..Hα-helixtrans-64.8-45-178.8-172.965.7000112Q58 M59 L60 S64 I65 F66 V85 L89 V122 I126Q58-L62 WeakPolarHBondContact O-CB 3.28Å; Q58-L62 PolarHBondContact O-N 3.46Å; M59-L62 PolarHBondContact O-N 3.02Å; L60-L62 VanDerWaalsContact C-N 3.35Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.73Å; L62-I65 PolarHBondContact O-N 3.42Å; L62-I65 VanDerWaalsContact O-N 3.11Å; L62-F66 HydrophobicContact CD1-CD2 3.9Å; L62-F66 HydrophobicContact CD1-CE2 3.5Å; L62-F66 VanDerWaalsContact CD1-CE2 3.5Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 3.97Å; L62-F66 HydrophobicContact CG-CD2 3.69Å; L62-F66 HydrophobicContact CG-CE2 3.52Å; L62-F66 VanDerWaalsContact O-CD2 3.3Å; L62-F66 WeakPolarHBondContact O-CD2 3.21Å; L62-F66 PolarHBondContact O-N 2.87Å; L62-V85 HydrophobicContact CD1-CG1 4.08Å; L62-L89 HydrophobicContact CD1-CD2 4.48Å; L62-L89 HydrophobicContact CD2-CD2 4.06Å; L62-V122 HydrophobicContact CD1-CG1 4.01Å; L62-V122 HydrophobicContact CD2-CG1 3.51Å; L62-V122 HydrophobicContact CG-CG1 4.26Å; L62-I126 HydrophobicContact CD2-CD1 3.44Å; L62-I126 VanDerWaalsContact CD2-CD1 3.44Å
63S69.1Low63.8Low77 Ų7781 Ų8154%0.53843%0.43SS..Hα-helixtrans-56.8-39.8174.9177.60000112.2M59 I65 F66 S67M59-S63 WeakPolarHBondContact O-CB 3.39Å; M59-S63 PolarHBondContact O-N 3Å; S63-I65 PolarHBondContact O-N 3.46Å; S63-F66 PolarHBondContact O-N 3.2Å; S63-S67 WeakPolarHBondContact O-CB 3.3Å; S63-S67 PolarHBondContact O-N 3.42Å
64S72.3Confident64.9Low74 Ų7479.1 Ų79.152%0.51742%0.42SS..Hα-helixtrans-63.6-41.6176.9-57.40000112L60 R61 L62 S67 V68L60-S64 PolarHBondContact O-N 3.48Å; L60-S64 VanDerWaalsContact O-N 3.12Å; L60-S64 PolarHBondContact O-OG 2.87Å; R61-S64 WeakPolarHBondContact O-CB 3.38Å; R61-S64 PolarHBondContact O-N 3.27Å; L62-S64 VanDerWaalsContact C-N 3.25Å; L62-S64 PolarHBondContact O-N 2.73Å; S64-S67 PolarHBondContact O-N 2.93Å; S64-V68 WeakPolarHBondContact O-CG2 3.21Å; S64-V68 PolarHBondContact O-N 3.37Å; S64-V68 VanDerWaalsContact O-N 3.14Å
65I70.2Confident65.9Low16 Ų1680.8 Ų80.88%0.08244%0.438CS..Hα-helixtrans-67.3-46.9178.3-66.6161.1000110.8R61 L62 S63 S67 V68 L69 L84 V85 A88R61-I65 WeakPolarHBondContact O-CG1 3.36Å; R61-I65 PolarHBondContact O-N 2.9Å; R61-I65 VanDerWaalsContact O-N 3.17Å; L62-I65 PolarHBondContact O-N 3.42Å; L62-I65 VanDerWaalsContact O-N 3.11Å; S63-I65 PolarHBondContact O-N 3.46Å; I65-S67 VanDerWaalsContact C-N 3.27Å; I65-S67 PolarHBondContact O-N 3.04Å; I65-V68 PolarHBondContact O-N 3.06Å; I65-V68 VanDerWaalsContact O-N 3.12Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CG 3.13Å; I65-L69 PolarHBondContact O-N 3.31Å; I65-L84 HydrophobicContact CB-CD2 4.48Å; I65-L84 HydrophobicContact CD1-CD1 4.33Å; I65-L84 HydrophobicContact CD1-CD2 4.44Å; I65-L84 HydrophobicContact CD1-CG 3.76Å; I65-L84 WeakPolarHBondContact CD1-O 3.46Å; I65-L84 HydrophobicContact CG1-CD1 4.48Å; I65-L84 HydrophobicContact CG1-CD2 3.93Å; I65-L84 HydrophobicContact CG1-CG 3.8Å; I65-L84 HydrophobicContact CG2-CD2 3.89Å; I65-L84 HydrophobicContact CG2-CG 4.07Å; I65-V85 HydrophobicContact CG2-CG2 3.69Å; I65-A88 HydrophobicContact CD1-CB 3.26Å
66F69.9Low67Low35 Ų3578.6 Ų78.615%0.15443%0.428CS..Hα-helixtrans-60.7-38176.7-83.5-70.8000112.5L62 S63 V68 L69 A70 F115 L118 C119 V122L62-F66 HydrophobicContact CD1-CD2 3.9Å; L62-F66 HydrophobicContact CD1-CE2 3.5Å; L62-F66 VanDerWaalsContact CD1-CE2 3.5Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 3.97Å; L62-F66 HydrophobicContact CG-CD2 3.69Å; L62-F66 HydrophobicContact CG-CE2 3.52Å; L62-F66 VanDerWaalsContact O-CD2 3.3Å; L62-F66 WeakPolarHBondContact O-CD2 3.21Å; L62-F66 PolarHBondContact O-N 2.87Å; S63-F66 PolarHBondContact O-N 3.2Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.1Å; F66-L69 PolarHBondContact O-N 2.96Å; F66-A70 VanDerWaalsContact O-CB 3.22Å; F66-A70 WeakPolarHBondContact O-CB 3.45Å; F66-A70 PolarHBondContact O-N 3.22Å; F66-F115 AromaticContact CD1-CE2 3.58Å; F66-F115 HydrophobicContact CD1-CE2 3.58Å; F66-F115 AromaticContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CE1-CE2 4.2Å; F66-F115 HydrophobicContact CE1-CZ 4.25Å; F66-L118 HydrophobicContact CE1-CD2 4.48Å; F66-L118 HydrophobicContact CE1-CG 4.5Å; F66-C119 WeakPolarHBondContact CE1-SG 3.48Å; F66-V122 HydrophobicContact CE2-CB 4.32Å; F66-V122 HydrophobicContact CE2-CG1 3.84Å; F66-V122 HydrophobicContact CE2-CG2 4.38Å; F66-V122 HydrophobicContact CZ-CB 3.9Å; F66-V122 HydrophobicContact CZ-CG1 3.95Å; F66-V122 HydrophobicContact CZ-CG2 3.85Å
67S72.7Confident67.9Low73 Ų7374.5 Ų74.551%0.5140%0.402SS..Hα-helixtrans-60.3-43.8174.4-172.40000111.7S63 S64 I65 A70 Q71S63-S67 WeakPolarHBondContact O-CB 3.3Å; S63-S67 PolarHBondContact O-N 3.42Å; S64-S67 PolarHBondContact O-N 2.93Å; I65-S67 VanDerWaalsContact C-N 3.27Å; I65-S67 PolarHBondContact O-N 3.04Å; S67-A70 PolarHBondContact O-N 3.2Å; S67-Q71 VanDerWaalsContact O-CB 3.26Å; S67-Q71 WeakPolarHBondContact O-CB 3.34Å; S67-Q71 PolarHBondContact O-N 3.38Å
68V71.7Confident68.7Low70 Ų7075.7 Ų75.742%0.42441%0.408SS..Hα-helixtrans-65-44.6176172.90000111.4S64 I65 F66 A70 Q71 H72S64-V68 WeakPolarHBondContact O-CG2 3.21Å; S64-V68 PolarHBondContact O-N 3.37Å; S64-V68 VanDerWaalsContact O-N 3.14Å; I65-V68 PolarHBondContact O-N 3.06Å; I65-V68 VanDerWaalsContact O-N 3.12Å; F66-V68 VanDerWaalsContact C-N 3.34Å; F66-V68 PolarHBondContact O-N 3.1Å; V68-A70 PolarHBondContact O-N 3.07Å; V68-Q71 PolarHBondContact O-N 3.1Å; V68-H72 PolarHBondContact O-CD2 2.87Å; V68-H72 PolarHBondContact O-N 3.47Å
69L66.2Low69.6Low6 Ų673.7 Ų73.73%0.03141%0.405CS..Hα-helixtrans-62.4-42.8178-67.3176.9000111.8I65 F66 D81 V85 F115 L118I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 HydrophobicContact CG2-CG 4.22Å; I65-L69 WeakPolarHBondContact O-CG 3.13Å; I65-L69 PolarHBondContact O-N 3.31Å; F66-L69 PolarHBondContact O-N 2.96Å; L69-D81 HydrophobicContact CD2-CB 3.68Å; L69-D81 VanDerWaalsContact CD2-CG 3.48Å; L69-D81 VanDerWaalsContact CD2-OD1 3.27Å; L69-D81 WeakPolarHBondContact CD2-OD1 3.46Å; L69-V85 HydrophobicContact CD1-CG2 4.21Å; L69-F115 HydrophobicContact CB-CD2 4.25Å; L69-F115 HydrophobicContact CB-CE2 3.97Å; L69-L118 HydrophobicContact CD1-CD2 3.69Å
70A66.2Low70.6Confident44 Ų4470.2 Ų70.236%0.36440%0.399SS..Hα-helixtrans-69.1-42.3178.700000112.3F66 S67 V68 H72 H73 F115F66-A70 VanDerWaalsContact O-CB 3.22Å; F66-A70 WeakPolarHBondContact O-CB 3.45Å; F66-A70 PolarHBondContact O-N 3.22Å; S67-A70 PolarHBondContact O-N 3.2Å; V68-A70 PolarHBondContact O-N 3.07Å; A70-H72 VanDerWaalsContact C-N 3.25Å; A70-H72 PolarHBondContact O-N 3.39Å; A70-H73 PolarHBondContact O-N 2.71Å; A70-F115 HydrophobicContact CB-CE2 4.36Å; A70-F115 HydrophobicContact CB-CZ 4.32Å
71Q63.3Low71.2Confident150 Ų15065.6 Ų65.670%0.70138%0.375SS*.Hα-helixtrans-61.8-34.8-179.3-175.3177.41.800112.3S67 V68 H73S67-Q71 VanDerWaalsContact O-CB 3.26Å; S67-Q71 WeakPolarHBondContact O-CB 3.34Å; S67-Q71 PolarHBondContact O-N 3.38Å; V68-Q71 PolarHBondContact O-N 3.1Å; Q71-H73 VanDerWaalsContact C-N 3.25Å; Q71-H73 PolarHBondContact O-N 2.93Å
72H63.6Low71.7Confident120 Ų12060 Ų6056%0.55635%0.353SS*.THydrogen-bonded Turntrans-78.8-5.4177.6-72.6-59.7000113.9V68 A70 K74V68-H72 PolarHBondContact O-CD2 2.87Å; V68-H72 PolarHBondContact O-N 3.47Å; A70-H72 VanDerWaalsContact C-N 3.25Å; A70-H72 PolarHBondContact O-N 3.39Å; H72-K74 HydrophobicContact CB-CG 3.89Å; H72-K74 PolarHBondContact O-N 2.83Å
73H52.5Low72.5Confident173 Ų17361.4 Ų61.480%0.80136%0.361SS*.THydrogen-bonded Turntrans4042.6-174.6-78.6-82.5000111.6A70 Q71 S75A70-H73 PolarHBondContact O-N 2.71Å; Q71-H73 VanDerWaalsContact C-N 3.25Å; Q71-H73 PolarHBondContact O-N 2.93Å; H73-S75 PolarHBondContact O-N 3.43Å
74K61.1Low73.2Confident84 Ų8461.7 Ų61.737%0.36536%0.356SS..  trans-66.5113.9178.5-69.9-174.2-176.4176.20106.6H72 V76 D81H72-K74 HydrophobicContact CB-CG 3.89Å; H72-K74 PolarHBondContact O-N 2.83Å; K74-V76 PolarHBondContact O-N 2.99Å; K74-D81 IonicContact NZ-OD1 2.85Å; K74-D81 PolarHBondContact NZ-OD1 3.36Å; K74-D81 IonicContact NZ-OD2 3.18Å; K74-D81 PolarHBondContact NZ-OD2 3.26Å
75S68.7Low73.5Confident104 Ų10458.1 Ų58.173%0.72733%0.331SS*.SBendtrans-67.5-11.9171.955.20000112.5H73H73-S75 PolarHBondContact O-N 3.43Å
76V76.1Confident74.1Confident54 Ų5457.4 Ų57.433%0.32733%0.327SS..SBendtrans-133.7120.2-179.9-174.80000109.1K74 K112K74-V76 PolarHBondContact O-N 2.99Å; V76-K112 HydrophobicContact CG1-CB 4.18Å; V76-K112 HydrophobicContact CG1-CG 4.32Å; V76-K112 HydrophobicContact CG2-CB 4.49Å; V76-K112 HydrophobicContact CG2-CD 3.97Å; V76-K112 HydrophobicContact CG2-CG 4.33Å
77I78Confident74.7Confident9 Ų964.2 Ų64.25%0.04635%0.352CS..BIsolated β-bridgetrans-77.3128.3169.2-60.2-58000108D81 I82 L113 D114 F115 L118I77-D81 HydrophobicContact CG2-CB 3.9Å; I77-I82 HydrophobicContact CG2-CD1 4.39Å; I77-I82 HydrophobicContact CG2-CG1 3.84Å; I77-L113 HydrophobicContact CB-CB 3.83Å; I77-L113 WeakPolarHBondContact CB-O 3.49Å; I77-L113 WeakPolarHBondContact CG1-O 3.49Å; I77-L113 HydrophobicContact CG2-CB 4.33Å; I77-L113 PolarHBondContact N-O 3.11Å; I77-D114 WeakPolarHBondContact CG1-O 3.46Å; I77-F115 HydrophobicContact CD1-CD2 4.47Å; I77-L118 HydrophobicContact CD1-CD2 3.96Å; I77-L118 HydrophobicContact CG1-CB 4.41Å; I77-L118 HydrophobicContact CG1-CD2 4.16Å; I77-L118 HydrophobicContact CG2-CD2 3.94Å
78T83.7Confident74.8Confident66 Ų6661 Ų6141%0.40533%0.329SS..  trans-93.8160.617866.40000111.3G80 D81 I82T78-G80 PolarHBondContact O-N 3.1Å; T78-G80 VanDerWaalsContact O-N 3.12Å; T78-D81 WeakPolarHBondContact CB-OD2 3.44Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CA 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.47Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-D81 PolarHBondContact OG1-N 2.88Å; T78-D81 PolarHBondContact OG1-OD2 3.49Å; T78-I82 PolarHBondContact O-N 3.31Å
79A84.4Confident74.9Confident34 Ų3458 Ų5828%0.28131%0.312SS..Hα-helixtrans-51.8-34.8171.100000112.7I82 L83 L98 I102A79-I82 PolarHBondContact O-N 3.11Å; A79-L83 WeakPolarHBondContact O-CG 3.44Å; A79-L83 PolarHBondContact O-N 3.34Å; A79-L98 HydrophobicContact CB-CD2 3.93Å; A79-L98 HydrophobicContact CB-CG 4.42Å; A79-I102 HydrophobicContact CB-CD1 3.67Å
80G84.3Confident75.5Confident43 Ų4360.4 Ų60.444%0.44334%0.337SS..Hα-helixtrans-68.2-33.9175.100000114T78 L84T78-G80 PolarHBondContact O-N 3.1Å; T78-G80 VanDerWaalsContact O-N 3.12Å; G80-L84 PolarHBondContact O-N 2.94Å; G80-L84 VanDerWaalsContact O-N 3.12Å
81D82.3Confident76.1Confident14 Ų1459.8 Ų59.88%0.07533%0.328CS..Hα-helixtrans-67.8-40.2175.5-61.4-51.6000110.2L69 K74 I77 T78 L84 V85L69-D81 HydrophobicContact CD2-CB 3.68Å; L69-D81 VanDerWaalsContact CD2-CG 3.48Å; L69-D81 VanDerWaalsContact CD2-OD1 3.27Å; L69-D81 WeakPolarHBondContact CD2-OD1 3.46Å; K74-D81 IonicContact NZ-OD1 2.85Å; K74-D81 PolarHBondContact NZ-OD1 3.36Å; K74-D81 IonicContact NZ-OD2 3.18Å; K74-D81 PolarHBondContact NZ-OD2 3.26Å; I77-D81 HydrophobicContact CG2-CB 3.9Å; T78-D81 WeakPolarHBondContact CB-OD2 3.44Å; T78-D81 PolarHBondContact N-OD2 2.95Å; T78-D81 WeakPolarHBondContact O-CA 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.47Å; T78-D81 PolarHBondContact O-N 3.27Å; T78-D81 PolarHBondContact OG1-N 2.88Å; T78-D81 PolarHBondContact OG1-OD2 3.49Å; D81-L84 WeakPolarHBondContact O-CB 3.28Å; D81-L84 PolarHBondContact O-N 2.86Å; D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.86Å; D81-V85 VanDerWaalsContact O-N 3.08Å
82I81.5Confident77Confident1 Ų157 Ų571%0.00533%0.33CS..Hα-helixtrans-64.3-46.9175.1-61.4165.8000111I77 T78 A79 L84 V85 M86 L98 L101 I102 L105 L113 L118I77-I82 HydrophobicContact CG2-CD1 4.39Å; I77-I82 HydrophobicContact CG2-CG1 3.84Å; T78-I82 PolarHBondContact O-N 3.31Å; A79-I82 PolarHBondContact O-N 3.11Å; I82-L84 PolarHBondContact O-N 3.31Å; I82-V85 WeakPolarHBondContact O-CB 3.47Å; I82-V85 PolarHBondContact O-N 2.95Å; I82-V85 VanDerWaalsContact O-N 3.14Å; I82-M86 HydrophobicContact CG2-CE 3.88Å; I82-M86 HydrophobicContact CG2-CG 4.25Å; I82-M86 VanDerWaalsContact O-CG 3.28Å; I82-M86 WeakPolarHBondContact O-CG 3.3Å; I82-M86 PolarHBondContact O-N 2.88Å; I82-L98 HydrophobicContact CB-CD1 4.04Å; I82-L98 HydrophobicContact CG2-CD1 3.73Å; I82-L101 HydrophobicContact CG2-CD2 3.5Å; I82-I102 HydrophobicContact CD1-CD1 4.16Å; I82-I102 HydrophobicContact CD1-CG1 3.45Å; I82-I102 VanDerWaalsContact CD1-CG1 3.45Å; I82-L105 HydrophobicContact CD1-CD1 4.09Å; I82-L105 HydrophobicContact CG1-CD1 4.49Å; I82-L113 HydrophobicContact CD1-CD1 3.36Å; I82-L113 HydrophobicContact CG1-CD1 4.47Å; I82-L118 HydrophobicContact CG1-CD1 4.32Å
83L84.6Confident77.9Confident43 Ų4353 Ų5323%0.22531%0.312CS..Hα-helixtrans-56.9-38.4176.1-78.3172.4000112.4A79 R87 L93 L98A79-L83 WeakPolarHBondContact O-CG 3.44Å; A79-L83 PolarHBondContact O-N 3.34Å; L83-R87 WeakPolarHBondContact O-CB 3.44Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.32Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-R87 VanDerWaalsContact O-N 3.07Å; L83-L93 HydrophobicContact CD2-CB 4.31Å; L83-L98 HydrophobicContact CD1-CD2 3.66Å; L83-L98 HydrophobicContact CD2-CD1 4.2Å; L83-L98 HydrophobicContact CD2-CD2 3.93Å; L83-L98 HydrophobicContact CG-CD1 4.03Å; L83-L98 HydrophobicContact CG-CD2 3.61Å; L83-L98 HydrophobicContact CG-CG 4.43Å
84L83.7Confident79.5Confident82 Ų8248.4 Ų48.443%0.42930%0.297SS..Hα-helixtrans-65.9-45177.6-17464.1000111.2I65 G80 D81 I82 R87 A88I65-L84 HydrophobicContact CB-CD2 4.48Å; I65-L84 HydrophobicContact CD1-CD1 4.33Å; I65-L84 HydrophobicContact CD1-CD2 4.44Å; I65-L84 HydrophobicContact CD1-CG 3.76Å; I65-L84 WeakPolarHBondContact CD1-O 3.46Å; I65-L84 HydrophobicContact CG1-CD1 4.48Å; I65-L84 HydrophobicContact CG1-CD2 3.93Å; I65-L84 HydrophobicContact CG1-CG 3.8Å; I65-L84 HydrophobicContact CG2-CD2 3.89Å; I65-L84 HydrophobicContact CG2-CG 4.07Å; G80-L84 PolarHBondContact O-N 2.94Å; G80-L84 VanDerWaalsContact O-N 3.12Å; D81-L84 WeakPolarHBondContact O-CB 3.28Å; D81-L84 PolarHBondContact O-N 2.86Å; I82-L84 PolarHBondContact O-N 3.31Å; L84-R87 PolarHBondContact O-N 2.91Å; L84-A88 PolarHBondContact O-N 2.63Å; L84-A88 VanDerWaalsContact O-N 3.15Å
85V79.9Confident80.6Confident0 Ų050.2 Ų50.20%031%0.307CS..Hα-helixtrans-59.8-47.6174.9166.70000111.5L62 I65 L69 D81 I82 R87 A88 L89 L118 V122L62-V85 HydrophobicContact CD1-CG1 4.08Å; I65-V85 HydrophobicContact CG2-CG2 3.69Å; L69-V85 HydrophobicContact CD1-CG2 4.21Å; D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.86Å; D81-V85 VanDerWaalsContact O-N 3.08Å; I82-V85 WeakPolarHBondContact O-CB 3.47Å; I82-V85 PolarHBondContact O-N 2.95Å; I82-V85 VanDerWaalsContact O-N 3.14Å; V85-R87 PolarHBondContact O-N 3.44Å; V85-A88 WeakPolarHBondContact O-CB 3.43Å; V85-A88 PolarHBondContact O-N 3.27Å; V85-A88 VanDerWaalsContact O-N 3.1Å; V85-L89 HydrophobicContact CG1-CD1 4.36Å; V85-L89 PolarHBondContact O-N 3Å; V85-L89 VanDerWaalsContact O-N 3.07Å; V85-L118 HydrophobicContact CG1-CD1 4.41Å; V85-L118 HydrophobicContact CG2-CD1 4.44Å; V85-L118 HydrophobicContact CG2-CD2 4.18Å; V85-V122 HydrophobicContact CG1-CG2 3.27Å
86M81.6Confident81.3Confident0 Ų048.3 Ų48.30%030%0.297CS..Hα-helixtrans-60-45.2179.7-68.3-63.8160.300112.2I82 A88 L89 G90 D91 L93 L101 F121I82-M86 HydrophobicContact CG2-CE 3.88Å; I82-M86 HydrophobicContact CG2-CG 4.25Å; I82-M86 VanDerWaalsContact O-CG 3.28Å; I82-M86 WeakPolarHBondContact O-CG 3.3Å; I82-M86 PolarHBondContact O-N 2.88Å; M86-A88 VanDerWaalsContact C-N 3.25Å; M86-A88 PolarHBondContact O-N 2.96Å; M86-L89 CarbonylContact O-C 3.45Å; M86-L89 WeakPolarHBondContact O-CA 3.48Å; M86-L89 WeakPolarHBondContact O-CB 3.45Å; M86-L89 PolarHBondContact O-N 3.25Å; M86-G90 PolarHBondContact O-N 3.35Å; M86-D91 CarbonylContact C-O 3.25Å; M86-D91 VanDerWaalsContact C-O 3.25Å; M86-D91 HydrophobicContact CB-CB 4.25Å; M86-D91 PolarHBondContact O-N 3.12Å; M86-D91 HydrophobicContact SD-CB 4.48Å; M86-L93 HydrophobicContact CB-CD1 4.37Å; M86-L93 HydrophobicContact CB-CG 4.33Å; M86-L93 HydrophobicContact CE-CD1 4.39Å; M86-L93 HydrophobicContact CG-CD1 3.59Å; M86-L93 HydrophobicContact CG-CG 4.04Å; M86-L93 HydrophobicContact SD-CD1 4.13Å; M86-L101 HydrophobicContact CE-CD1 4.44Å; M86-L101 HydrophobicContact CE-CD2 3.13Å; M86-L101 HydrophobicContact CE-CG 4.37Å; M86-L101 HydrophobicContact SD-CD2 4.31Å; M86-F121 HydrophobicContact CE-CD1 4.11Å; M86-F121 HydrophobicContact CE-CE1 3.09Å; M86-F121 HydrophobicContact CE-CZ 3.47Å; M86-F121 VanDerWaalsContact CE-CZ 3.47Å; M86-F121 HydrophobicContact SD-CE1 4.19Å; M86-F121 HydrophobicContact SD-CZ 4.42Å
87R82.6Confident81.7Confident178 Ų17850.1 Ų50.167%0.67230%0.302SS*.Hα-helixtrans-61.3-35176.7-74.1175.5178.51792112.3L83 L84 V85 G90 D91L83-R87 WeakPolarHBondContact O-CB 3.44Å; L83-R87 VanDerWaalsContact O-CG 3.27Å; L83-R87 WeakPolarHBondContact O-CG 3.32Å; L83-R87 PolarHBondContact O-N 3.24Å; L83-R87 VanDerWaalsContact O-N 3.07Å; L84-R87 PolarHBondContact O-N 2.91Å; V85-R87 PolarHBondContact O-N 3.44Å; R87-G90 PolarHBondContact O-N 3.01Å; R87-G90 VanDerWaalsContact O-N 3.1Å; R87-D91 WeakPolarHBondContact CA-O 3.33Å; R87-D91 PolarHBondContact N-O 2.72Å
88A75.9Confident82Confident5 Ų549.7 Ų49.74%0.04130%0.3CS..Hα-helixtrans-69.4-33.6174.800000113.5R61 I65 L84 V85 M86 G90R61-A88 HydrophobicContact CB-CB 3.9Å; I65-A88 HydrophobicContact CD1-CB 3.26Å; L84-A88 PolarHBondContact O-N 2.63Å; L84-A88 VanDerWaalsContact O-N 3.15Å; V85-A88 WeakPolarHBondContact O-CB 3.43Å; V85-A88 PolarHBondContact O-N 3.27Å; V85-A88 VanDerWaalsContact O-N 3.1Å; M86-A88 VanDerWaalsContact C-N 3.25Å; M86-A88 PolarHBondContact O-N 2.96Å; A88-G90 PolarHBondContact O-N 2.84Å
89L73.5Confident82Confident9 Ų951.2 Ų51.25%0.04730%0.302CS..THydrogen-bonded Turntrans-72.9-6.2169.4-64.6176.1000113.1L62 V85 M86 V122 R125 I126 K129L62-L89 HydrophobicContact CD1-CD2 4.48Å; L62-L89 HydrophobicContact CD2-CD2 4.06Å; V85-L89 HydrophobicContact CG1-CD1 4.36Å; V85-L89 PolarHBondContact O-N 3Å; V85-L89 VanDerWaalsContact O-N 3.07Å; M86-L89 CarbonylContact O-C 3.45Å; M86-L89 WeakPolarHBondContact O-CA 3.48Å; M86-L89 WeakPolarHBondContact O-CB 3.45Å; M86-L89 PolarHBondContact O-N 3.25Å; L89-V122 HydrophobicContact CD1-CG1 4.41Å; L89-R125 HydrophobicContact CD1-CG 4.43Å; L89-I126 HydrophobicContact CD2-CD1 4.01Å; L89-I126 HydrophobicContact CD2-CG1 3.55Å; L89-K129 PolarHBondContact O-NZ 3.32Å
90G77.3Confident82Confident55 Ų5554.5 Ų54.557%0.56732%0.315SS*.THydrogen-bonded Turntrans84.78.4-178.700000114.7M86 R87 A88M86-G90 PolarHBondContact O-N 3.35Å; R87-G90 PolarHBondContact O-N 3.01Å; R87-G90 VanDerWaalsContact O-N 3.1Å; A88-G90 PolarHBondContact O-N 2.84Å
91D80.6Confident81.8Confident32 Ų3252.8 Ų52.817%0.17130%0.296CS..  trans-90.8140.1175.7-70-22.7000111.1M86 R87 R125 K129M86-D91 CarbonylContact C-O 3.25Å; M86-D91 VanDerWaalsContact C-O 3.25Å; M86-D91 HydrophobicContact CB-CB 4.25Å; M86-D91 PolarHBondContact O-N 3.12Å; M86-D91 HydrophobicContact SD-CB 4.48Å; R87-D91 WeakPolarHBondContact CA-O 3.33Å; R87-D91 PolarHBondContact N-O 2.72Å; D91-R125 IonicContact OD2-CZ 2.63Å; D91-R125 IonicContact OD2-NE 2.86Å; D91-R125 PolarHBondContact OD2-NE 2.98Å; D91-R125 IonicContact OD2-NH2 3.35Å; D91-R125 PolarHBondContact OD2-NH2 3.12Å; D91-K129 WeakPolarHBondContact OD1-CE 3.44Å; D91-K129 IonicContact OD1-NZ 2.64Å; D91-K129 PolarHBondContact OD1-NZ 2.86Å; D91-K129 WeakPolarHBondContact OD2-CE 3.34Å; D91-K129 IonicContact OD2-NZ 2.88Å; D91-K129 PolarHBondContact OD2-NZ 2.98Å
92A82.1Confident81.7Confident90 Ų9053.9 Ų53.974%0.74430%0.301SS*.  trans-111117.4167.300000107.9
93L82.3Confident81.7Confident36 Ų3660.4 Ų60.419%0.18833%0.33CS..  trans-98.2141.1174.6-58.1-176.4000110L83 M86 E97 L98 L101L83-L93 HydrophobicContact CD2-CB 4.31Å; M86-L93 HydrophobicContact CB-CD1 4.37Å; M86-L93 HydrophobicContact CB-CG 4.33Å; M86-L93 HydrophobicContact CE-CD1 4.39Å; M86-L93 HydrophobicContact CG-CD1 3.59Å; M86-L93 HydrophobicContact CG-CG 4.04Å; M86-L93 HydrophobicContact SD-CD1 4.13Å; L93-E97 HydrophobicContact CB-CB 4.27Å; L93-E97 HydrophobicContact CD2-CB 4.21Å; L93-L98 HydrophobicContact CD1-CD1 4.34Å; L93-L101 HydrophobicContact CD1-CD2 3.55Å
94T85.4Confident81.5Confident78 Ų7865 Ų6548%0.47935%0.35SS..  trans-73.6166.1161.962.30000110.6A96 E97 L98T94-A96 PolarHBondContact O-N 2.79Å; T94-E97 WeakPolarHBondContact CB-OE2 3.38Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.43Å; T94-E97 PolarHBondContact N-OE2 3.41Å; T94-E97 PolarHBondContact O-N 3.25Å; T94-E97 VanDerWaalsContact OG1-CD 3.26Å; T94-E97 VanDerWaalsContact OG1-CG 3.28Å; T94-E97 WeakPolarHBondContact OG1-CG 3.46Å; T94-E97 PolarHBondContact OG1-N 3.01Å; T94-E97 PolarHBondContact OG1-OE2 2.93Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 PolarHBondContact O-N 3.43Å
95E83.8Confident81.1Confident122 Ų12261.5 Ų61.557%0.5733%0.332SS*.Hα-helixtrans-60.6-36.7176.6-171.960.7-150.400111.8L98 Q99E95-L98 PolarHBondContact O-N 3.32Å; E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 3.38Å; E95-Q99 VanDerWaalsContact O-N 3.11Å; E95-Q99 PolarHBondContact OE1-NE2 2.92Å; E95-Q99 VanDerWaalsContact OE1-NE2 3.12Å
96A83.7Confident81.1Confident63 Ų6362.6 Ų62.652%0.52134%0.338SS..Hα-helixtrans-65.5-49.7177.500000111.6T94 L98 Q99 D100T94-A96 PolarHBondContact O-N 2.79Å; A96-L98 PolarHBondContact O-N 3.38Å; A96-Q99 PolarHBondContact O-N 2.78Å; A96-Q99 VanDerWaalsContact O-N 3.12Å; A96-D100 PolarHBondContact O-N 3.24Å
97E84.5Confident80.7Confident92 Ų9268.1 Ų68.143%0.4337%0.371SS..Hα-helixtrans-63.4-31177.9-68162.3145.400112.3L93 T94 L101L93-E97 HydrophobicContact CB-CB 4.27Å; L93-E97 HydrophobicContact CD2-CB 4.21Å; T94-E97 WeakPolarHBondContact CB-OE2 3.38Å; T94-E97 WeakPolarHBondContact CG2-OE2 3.43Å; T94-E97 PolarHBondContact N-OE2 3.41Å; T94-E97 PolarHBondContact O-N 3.25Å; T94-E97 VanDerWaalsContact OG1-CD 3.26Å; T94-E97 VanDerWaalsContact OG1-CG 3.28Å; T94-E97 WeakPolarHBondContact OG1-CG 3.46Å; T94-E97 PolarHBondContact OG1-N 3.01Å; T94-E97 PolarHBondContact OG1-OE2 2.93Å; E97-L101 WeakPolarHBondContact O-CB 3.02Å; E97-L101 PolarHBondContact O-N 3.41Å
98L83.5Confident80.5Confident1 Ų164.4 Ų64.41%0.00537%0.365CS..Hα-helixtrans-66.9-42.1174.418063.2000111.8A79 I82 L83 L93 T94 E95 A96 L101 I102A79-L98 HydrophobicContact CB-CD2 3.93Å; A79-L98 HydrophobicContact CB-CG 4.42Å; I82-L98 HydrophobicContact CB-CD1 4.04Å; I82-L98 HydrophobicContact CG2-CD1 3.73Å; L83-L98 HydrophobicContact CD1-CD2 3.66Å; L83-L98 HydrophobicContact CD2-CD1 4.2Å; L83-L98 HydrophobicContact CD2-CD2 3.93Å; L83-L98 HydrophobicContact CG-CD1 4.03Å; L83-L98 HydrophobicContact CG-CD2 3.61Å; L83-L98 HydrophobicContact CG-CG 4.43Å; L93-L98 HydrophobicContact CD1-CD1 4.34Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 PolarHBondContact O-N 3.43Å; E95-L98 PolarHBondContact O-N 3.32Å; A96-L98 PolarHBondContact O-N 3.38Å; L98-L101 PolarHBondContact O-N 3.32Å; L98-I102 HydrophobicContact CD1-CD1 4.22Å; L98-I102 HydrophobicContact CD1-CG1 4.48Å; L98-I102 HydrophobicContact CG-CD1 4Å; L98-I102 WeakPolarHBondContact O-CB 3.18Å; L98-I102 WeakPolarHBondContact O-CD1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.4Å; L98-I102 PolarHBondContact O-N 2.92Å
99Q84.5Confident80.8Confident98 Ų9873.3 Ų73.346%0.45840%0.397SS..Hα-helixtrans-67.3-43.8177.5-66.6-62.5-29.600111.5E95 A96 L101 I102 F103E95-Q99 WeakPolarHBondContact O-CG 3.37Å; E95-Q99 PolarHBondContact O-N 3.38Å; E95-Q99 VanDerWaalsContact O-N 3.11Å; E95-Q99 PolarHBondContact OE1-NE2 2.92Å; E95-Q99 VanDerWaalsContact OE1-NE2 3.12Å; A96-Q99 PolarHBondContact O-N 2.78Å; A96-Q99 VanDerWaalsContact O-N 3.12Å; Q99-L101 VanDerWaalsContact C-N 3.3Å; Q99-L101 PolarHBondContact O-N 2.84Å; Q99-I102 PolarHBondContact O-N 3.29Å; Q99-F103 PolarHBondContact O-N 3.5Å
100D84.8Confident81.2Confident102 Ų10277 Ų7755%0.54542%0.417SS..Hα-helixtrans-60.7-44175.8-68.4-22.8000110.5A96 F103 E104A96-D100 PolarHBondContact O-N 3.24Å; D100-F103 WeakPolarHBondContact O-CB 3.49Å; D100-F103 PolarHBondContact O-N 3.45Å; D100-E104 WeakPolarHBondContact O-CG 3.23Å; D100-E104 PolarHBondContact O-N 2.92Å
101L80.3Confident81.2Confident8 Ų877.4 Ų77.44%0.04242%0.421CS..Hα-helixtrans-62.5-45.2175.7175.769000112.2I82 M86 L93 E97 L98 Q99 F103 E104 L105 F121I82-L101 HydrophobicContact CG2-CD2 3.5Å; M86-L101 HydrophobicContact CE-CD1 4.44Å; M86-L101 HydrophobicContact CE-CD2 3.13Å; M86-L101 HydrophobicContact CE-CG 4.37Å; M86-L101 HydrophobicContact SD-CD2 4.31Å; L93-L101 HydrophobicContact CD1-CD2 3.55Å; E97-L101 WeakPolarHBondContact O-CB 3.02Å; E97-L101 PolarHBondContact O-N 3.41Å; L98-L101 PolarHBondContact O-N 3.32Å; Q99-L101 VanDerWaalsContact C-N 3.3Å; Q99-L101 PolarHBondContact O-N 2.84Å; L101-F103 PolarHBondContact O-N 3.5Å; L101-E104 PolarHBondContact O-N 2.64Å; L101-E104 VanDerWaalsContact O-N 3.11Å; L101-L105 HydrophobicContact CD1-CD1 4.05Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 3.91Å; L101-L105 HydrophobicContact CD2-CD1 4.22Å; L101-L105 HydrophobicContact CG-CD1 3.79Å; L101-L105 HydrophobicContact CG-CG 4.07Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 3.44Å; L101-F121 HydrophobicContact CD1-CD2 4.21Å; L101-F121 HydrophobicContact CD1-CE1 4.37Å; L101-F121 HydrophobicContact CD1-CE2 3.38Å; L101-F121 HydrophobicContact CD1-CZ 3.46Å; L101-F121 VanDerWaalsContact CD1-CZ 3.46Å; L101-F121 HydrophobicContact CD2-CZ 4.36Å
102I80.3Confident81.2Confident37 Ų3781.1 Ų81.119%0.1944%0.436CS..Hα-helixtrans-57.5-43.1178-75163000110.2A79 I82 L98 Q99 E104 L105 D106 L113A79-I102 HydrophobicContact CB-CD1 3.67Å; I82-I102 HydrophobicContact CD1-CD1 4.16Å; I82-I102 HydrophobicContact CD1-CG1 3.45Å; I82-I102 VanDerWaalsContact CD1-CG1 3.45Å; L98-I102 HydrophobicContact CD1-CD1 4.22Å; L98-I102 HydrophobicContact CD1-CG1 4.48Å; L98-I102 HydrophobicContact CG-CD1 4Å; L98-I102 WeakPolarHBondContact O-CB 3.18Å; L98-I102 WeakPolarHBondContact O-CD1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.4Å; L98-I102 PolarHBondContact O-N 2.92Å; Q99-I102 PolarHBondContact O-N 3.29Å; I102-E104 VanDerWaalsContact C-N 3.33Å; I102-E104 PolarHBondContact O-N 3.48Å; I102-L105 PolarHBondContact O-N 2.88Å; I102-D106 WeakPolarHBondContact O-CB 3.47Å; I102-D106 PolarHBondContact O-N 2.88Å; I102-D106 VanDerWaalsContact O-N 3.1Å; I102-L113 HydrophobicContact CB-CD1 4.23Å; I102-L113 HydrophobicContact CG1-CD1 4.04Å; I102-L113 HydrophobicContact CG2-CD1 3.94Å
103F80.4Confident80.9Confident138 Ų13877.2 Ų77.261%0.60540%0.402SS*.Hα-helixtrans-64.6-35.8176.8179.5-97.1000113Q99 D100 L101Q99-F103 PolarHBondContact O-N 3.5Å; D100-F103 WeakPolarHBondContact O-CB 3.49Å; D100-F103 PolarHBondContact O-N 3.45Å; L101-F103 PolarHBondContact O-N 3.5Å
104E79.9Confident80.5Confident139 Ų13978.5 Ų78.565%0.6541%0.409SS*.Hα-helixtrans-70.9-34.3175-73.8177.2-178.200113.1D100 L101 I102D100-E104 WeakPolarHBondContact O-CG 3.23Å; D100-E104 PolarHBondContact O-N 2.92Å; L101-E104 PolarHBondContact O-N 2.64Å; L101-E104 VanDerWaalsContact O-N 3.11Å; I102-E104 VanDerWaalsContact C-N 3.33Å; I102-E104 PolarHBondContact O-N 3.48Å
105L76.9Confident79.7Confident9 Ų978.2 Ų78.25%0.04740%0.402CS..Hα-helixtrans-76.7-28.2-178.5-71.8178.3000113.7I82 L101 I102 V107 L113 F121I82-L105 HydrophobicContact CD1-CD1 4.09Å; I82-L105 HydrophobicContact CG1-CD1 4.49Å; L101-L105 HydrophobicContact CD1-CD1 4.05Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 3.91Å; L101-L105 HydrophobicContact CD2-CD1 4.22Å; L101-L105 HydrophobicContact CG-CD1 3.79Å; L101-L105 HydrophobicContact CG-CG 4.07Å; L101-L105 WeakPolarHBondContact O-CB 3.48Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 3.44Å; I102-L105 PolarHBondContact O-N 2.88Å; L105-V107 PolarHBondContact O-N 3.48Å; L105-L113 HydrophobicContact CB-CD1 3.98Å; L105-L113 HydrophobicContact CB-CD2 3.36Å; L105-L113 HydrophobicContact CB-CG 4.33Å; L105-L113 HydrophobicContact CD1-CD1 4.07Å; L105-L113 WeakPolarHBondContact O-CD2 3.49Å; L105-F121 HydrophobicContact CD2-CB 3.18Å; L105-F121 HydrophobicContact CD2-CD1 3.97Å; L105-F121 HydrophobicContact CD2-CD2 3.28Å; L105-F121 HydrophobicContact CD2-CE2 4.07Å; L105-F121 HydrophobicContact CD2-CG 3.19Å; L105-F121 HydrophobicContact CG-CD2 4.39Å; L105-F121 HydrophobicContact CG-CG 4.42Å
106D78.7Confident79.1Confident22 Ų2276.4 Ų76.412%0.11840%0.402CS..  trans-78.475.6-178.6-1796.3000108.7I102 R109 D110 G111 L113I102-D106 WeakPolarHBondContact O-CB 3.47Å; I102-D106 PolarHBondContact O-N 2.88Å; I102-D106 VanDerWaalsContact O-N 3.1Å; D106-R109 VanDerWaalsContact CG-CA 3.5Å; D106-R109 WeakPolarHBondContact O-CG 3.13Å; D106-R109 PolarHBondContact O-N 2.76Å; D106-R109 WeakPolarHBondContact OD1-CA 3.33Å; D106-R109 PolarHBondContact OD1-N 3.21Å; D106-D110 PolarHBondContact OD1-N 3.33Å; D106-D110 VanDerWaalsContact OD1-N 3.11Å; D106-G111 WeakPolarHBondContact OD2-CA 3.26Å; D106-G111 PolarHBondContact OD2-N 2.75Å; D106-L113 HydrophobicContact CB-CD2 3.97Å
107V73.7Confident78.4Confident117 Ų11774.6 Ų74.671%0.70938%0.383SS*.SBendtrans-69.8-37.8-170.8176.90000110.3L105 R109 E117L105-V107 PolarHBondContact O-N 3.48Å; V107-R109 VanDerWaalsContact C-N 3.33Å; V107-E117 PolarHBondContact N-OE1 3.39Å
108D79.3Confident77.8Confident99 Ų9970.3 Ų70.353%0.52936%0.363SS..SBendtrans-82.9-11.1177.978.60.4000113.6D110D108-D110 VanDerWaalsContact C-N 3.25Å; D108-D110 PolarHBondContact O-N 2.71Å; D108-D110 WeakPolarHBondContact OD1-CB 3.23Å; D108-D110 PolarHBondContact OD1-N 3.46Å
109R80.3Confident77.1Confident193 Ų19372 Ų7273%0.72837%0.374SS*.  trans61.331.2178-58.3-176.9176.1-176.7-1.1112.8D106 V107 G111D106-R109 VanDerWaalsContact CG-CA 3.5Å; D106-R109 WeakPolarHBondContact O-CG 3.13Å; D106-R109 PolarHBondContact O-N 2.76Å; D106-R109 WeakPolarHBondContact OD1-CA 3.33Å; D106-R109 PolarHBondContact OD1-N 3.21Å; V107-R109 VanDerWaalsContact C-N 3.33Å; R109-G111 PolarHBondContact O-N 3.47Å
110D82.6Confident76.2Confident86 Ų8670.2 Ų70.246%0.4638%0.377SS..SBendtrans-78.7-6.5176.495.6-22.8000112.8D106 D108 K112D106-D110 PolarHBondContact OD1-N 3.33Å; D106-D110 VanDerWaalsContact OD1-N 3.11Å; D108-D110 VanDerWaalsContact C-N 3.25Å; D108-D110 PolarHBondContact O-N 2.71Å; D108-D110 WeakPolarHBondContact OD1-CB 3.23Å; D108-D110 PolarHBondContact OD1-N 3.46Å; D110-K112 VanDerWaalsContact C-N 3.32Å; D110-K112 VanDerWaalsContact OD1-CA 3.3Å; D110-K112 WeakPolarHBondContact OD1-CA 3.21Å; D110-K112 WeakPolarHBondContact OD1-CB 3.38Å; D110-K112 PolarHBondContact OD1-N 3.23Å; D110-K112 VanDerWaalsContact OD1-O 3.11Å
111G78.2Confident75.6Confident63 Ų6366.6 Ų66.665%0.64936%0.356SS*.SBendtrans8210.5-179.500000113.6D106 R109D106-G111 WeakPolarHBondContact OD2-CA 3.26Å; D106-G111 PolarHBondContact OD2-N 2.75Å; R109-G111 PolarHBondContact O-N 3.47Å
112K79Confident75Confident111 Ų11166.3 Ų66.348%0.48336%0.355SS..  trans-127.5158.1174.5-58167.5-173.9162.80107.7V76 D110V76-K112 HydrophobicContact CG1-CB 4.18Å; V76-K112 HydrophobicContact CG1-CG 4.32Å; V76-K112 HydrophobicContact CG2-CB 4.49Å; V76-K112 HydrophobicContact CG2-CD 3.97Å; V76-K112 HydrophobicContact CG2-CG 4.33Å; D110-K112 VanDerWaalsContact C-N 3.32Å; D110-K112 VanDerWaalsContact OD1-CA 3.3Å; D110-K112 WeakPolarHBondContact OD1-CA 3.21Å; D110-K112 WeakPolarHBondContact OD1-CB 3.38Å; D110-K112 PolarHBondContact OD1-N 3.23Å; D110-K112 VanDerWaalsContact OD1-O 3.11Å
113L75.9Confident74.1Confident8 Ų868.1 Ų68.14%0.04237%0.367CS..BIsolated β-bridgetrans-112.2131.4171-74.3172.3000108.5I77 I82 I102 L105 D106 E117I77-L113 HydrophobicContact CB-CB 3.83Å; I77-L113 WeakPolarHBondContact CB-O 3.49Å; I77-L113 WeakPolarHBondContact CG1-O 3.49Å; I77-L113 HydrophobicContact CG2-CB 4.33Å; I77-L113 PolarHBondContact N-O 3.11Å; I82-L113 HydrophobicContact CD1-CD1 3.36Å; I82-L113 HydrophobicContact CG1-CD1 4.47Å; I102-L113 HydrophobicContact CB-CD1 4.23Å; I102-L113 HydrophobicContact CG1-CD1 4.04Å; I102-L113 HydrophobicContact CG2-CD1 3.94Å; L105-L113 HydrophobicContact CB-CD1 3.98Å; L105-L113 HydrophobicContact CB-CD2 3.36Å; L105-L113 HydrophobicContact CB-CG 4.33Å; L105-L113 HydrophobicContact CD1-CD1 4.07Å; L105-L113 WeakPolarHBondContact O-CD2 3.49Å; D106-L113 HydrophobicContact CB-CD2 3.97Å; L113-E117 WeakPolarHBondContact CA-OE2 3.31Å
114D74.3Confident73.4Confident63 Ų6366 Ų6634%0.33736%0.36SS..  trans-98.9170174.681.134.1000112.2I77 S116 E117 L118I77-D114 WeakPolarHBondContact CG1-O 3.46Å; D114-S116 VanDerWaalsContact C-N 3.26Å; D114-S116 PolarHBondContact O-N 3.01Å; D114-S116 VanDerWaalsContact OD1-CA 3.23Å; D114-S116 WeakPolarHBondContact OD1-CA 3.38Å; D114-S116 WeakPolarHBondContact OD1-CB 3.15Å; D114-S116 PolarHBondContact OD1-N 3.48Å; D114-E117 PolarHBondContact N-OE2 2.77Å; D114-E117 PolarHBondContact OD1-N 3.21Å; D114-L118 PolarHBondContact O-N 2.87Å
115F68.5Low72.8Confident72 Ų7262.9 Ų62.932%0.31634%0.342SS..Hα-helixtrans-66.8-29.2-179.1-175.8-94.7000112.7F66 L69 A70 I77 C119F66-F115 AromaticContact CD1-CE2 3.58Å; F66-F115 HydrophobicContact CD1-CE2 3.58Å; F66-F115 AromaticContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CD1-CZ 3.6Å; F66-F115 HydrophobicContact CE1-CE2 4.2Å; F66-F115 HydrophobicContact CE1-CZ 4.25Å; L69-F115 HydrophobicContact CB-CD2 4.25Å; L69-F115 HydrophobicContact CB-CE2 3.97Å; A70-F115 HydrophobicContact CB-CE2 4.36Å; A70-F115 HydrophobicContact CB-CZ 4.32Å; I77-F115 HydrophobicContact CD1-CD2 4.47Å; F115-C119 WeakPolarHBondContact CE1-SG 3.39Å; F115-C119 WeakPolarHBondContact O-CB 3.49Å; F115-C119 PolarHBondContact O-N 2.96Å; F115-C119 PolarHBondContact O-SG 3.2Å
116S71.6Confident72.1Confident84 Ų8464.8 Ų64.859%0.58735%0.352SS*.Hα-helixtrans-70.2-45.9178.8-171.70000110.9D114 C119 A120D114-S116 VanDerWaalsContact C-N 3.26Å; D114-S116 PolarHBondContact O-N 3.01Å; D114-S116 VanDerWaalsContact OD1-CA 3.23Å; D114-S116 WeakPolarHBondContact OD1-CA 3.38Å; D114-S116 WeakPolarHBondContact OD1-CB 3.15Å; D114-S116 PolarHBondContact OD1-N 3.48Å; S116-C119 WeakPolarHBondContact O-CB 3.46Å; S116-C119 PolarHBondContact O-N 3.48Å; S116-A120 WeakPolarHBondContact O-CB 3.02Å; S116-A120 PolarHBondContact O-N 2.77Å
117E69.7Low71Confident25 Ų2569.6 Ų69.612%0.11737%0.369CS..Hα-helixtrans-61-46.4176.3-67.2174135.500111.4V107 L113 D114 C119 A120 F121V107-E117 PolarHBondContact N-OE1 3.39Å; L113-E117 WeakPolarHBondContact CA-OE2 3.31Å; D114-E117 PolarHBondContact N-OE2 2.77Å; D114-E117 PolarHBondContact OD1-N 3.21Å; E117-C119 PolarHBondContact O-N 3.19Å; E117-A120 PolarHBondContact O-N 3.09Å; E117-F121 WeakPolarHBondContact O-CB 3.35Å; E117-F121 PolarHBondContact O-N 2.89Å
118L72Confident70.3Confident2 Ų269.1 Ų69.11%0.0136%0.357CS..Hα-helixtrans-61-43.6175.3-178.265.6000112F66 L69 I77 I82 V85 D114 V122F66-L118 HydrophobicContact CE1-CD2 4.48Å; F66-L118 HydrophobicContact CE1-CG 4.5Å; L69-L118 HydrophobicContact CD1-CD2 3.69Å; I77-L118 HydrophobicContact CD1-CD2 3.96Å; I77-L118 HydrophobicContact CG1-CB 4.41Å; I77-L118 HydrophobicContact CG1-CD2 4.16Å; I77-L118 HydrophobicContact CG2-CD2 3.94Å; I82-L118 HydrophobicContact CG1-CD1 4.32Å; V85-L118 HydrophobicContact CG1-CD1 4.41Å; V85-L118 HydrophobicContact CG2-CD1 4.44Å; V85-L118 HydrophobicContact CG2-CD2 4.18Å; D114-L118 PolarHBondContact O-N 2.87Å; L118-V122 HydrophobicContact CD1-CG2 4.25Å; L118-V122 HydrophobicContact CG-CG2 4.46Å; L118-V122 WeakPolarHBondContact O-CB 3.2Å; L118-V122 VanDerWaalsContact O-CG2 3.23Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.31Å
119C68.6Low69.6Low35 Ų3567.7 Ų67.724%0.23635%0.346CS..Hα-helixtrans-60.2-50.1176.7-78.70000111.6F66 F115 S116 E117 F121 V122 V123F66-C119 WeakPolarHBondContact CE1-SG 3.48Å; F115-C119 WeakPolarHBondContact CE1-SG 3.39Å; F115-C119 WeakPolarHBondContact O-CB 3.49Å; F115-C119 PolarHBondContact O-N 2.96Å; F115-C119 PolarHBondContact O-SG 3.2Å; S116-C119 WeakPolarHBondContact O-CB 3.46Å; S116-C119 PolarHBondContact O-N 3.48Å; E117-C119 PolarHBondContact O-N 3.19Å; C119-F121 VanDerWaalsContact C-N 3.31Å; C119-F121 PolarHBondContact O-N 3.4Å; C119-V122 PolarHBondContact O-N 3.43Å; C119-V123 WeakPolarHBondContact O-CB 3.45Å; C119-V123 WeakPolarHBondContact O-CG2 3.44Å; C119-V123 PolarHBondContact O-N 3.15Å
120A65.8Low68.6Low62 Ų6260.8 Ų60.851%0.51232%0.322SS..Hα-helixtrans-56.9-47.5-179.700000111.1S116 E117 V123 E124S116-A120 WeakPolarHBondContact O-CB 3.02Å; S116-A120 PolarHBondContact O-N 2.77Å; E117-A120 PolarHBondContact O-N 3.09Å; A120-V123 PolarHBondContact O-N 3.39Å; A120-E124 WeakPolarHBondContact O-CB 3.43Å; A120-E124 PolarHBondContact O-N 2.73Å
121F71.2Confident67.2Low25 Ų2559.4 Ų59.411%0.1131%0.314CS..Hα-helixtrans-62.7-45.2176.9168.4-92.3000113.5M86 L101 L105 E117 C119 V123 E124 R125M86-F121 HydrophobicContact CE-CD1 4.11Å; M86-F121 HydrophobicContact CE-CE1 3.09Å; M86-F121 HydrophobicContact CE-CZ 3.47Å; M86-F121 VanDerWaalsContact CE-CZ 3.47Å; M86-F121 HydrophobicContact SD-CE1 4.19Å; M86-F121 HydrophobicContact SD-CZ 4.42Å; L101-F121 HydrophobicContact CD1-CD2 4.21Å; L101-F121 HydrophobicContact CD1-CE1 4.37Å; L101-F121 HydrophobicContact CD1-CE2 3.38Å; L101-F121 HydrophobicContact CD1-CZ 3.46Å; L101-F121 VanDerWaalsContact CD1-CZ 3.46Å; L101-F121 HydrophobicContact CD2-CZ 4.36Å; L105-F121 HydrophobicContact CD2-CB 3.18Å; L105-F121 HydrophobicContact CD2-CD1 3.97Å; L105-F121 HydrophobicContact CD2-CD2 3.28Å; L105-F121 HydrophobicContact CD2-CE2 4.07Å; L105-F121 HydrophobicContact CD2-CG 3.19Å; L105-F121 HydrophobicContact CG-CD2 4.39Å; L105-F121 HydrophobicContact CG-CG 4.42Å; E117-F121 WeakPolarHBondContact O-CB 3.35Å; E117-F121 PolarHBondContact O-N 2.89Å; C119-F121 VanDerWaalsContact C-N 3.31Å; C119-F121 PolarHBondContact O-N 3.4Å; F121-V123 VanDerWaalsContact C-N 3.27Å; F121-V123 PolarHBondContact O-N 2.92Å; F121-E124 PolarHBondContact O-N 3.29Å; F121-R125 HydrophobicContact CE1-CB 4.15Å; F121-R125 HydrophobicContact CZ-CB 4.23Å; F121-R125 HydrophobicContact CZ-CG 4.34Å; F121-R125 VanDerWaalsContact O-CB 3.31Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 PolarHBondContact O-N 3.22Å
122V68.6Low66.5Low3 Ų359.4 Ų59.42%0.01830%0.299CS..Hα-helixtrans-63.8-40.9-177.9167.10000110.7L62 F66 V85 L89 L118 C119 R125 I126L62-V122 HydrophobicContact CD1-CG1 4.01Å; L62-V122 HydrophobicContact CD2-CG1 3.51Å; L62-V122 HydrophobicContact CG-CG1 4.26Å; F66-V122 HydrophobicContact CE2-CB 4.32Å; F66-V122 HydrophobicContact CE2-CG1 3.84Å; F66-V122 HydrophobicContact CE2-CG2 4.38Å; F66-V122 HydrophobicContact CZ-CB 3.9Å; F66-V122 HydrophobicContact CZ-CG1 3.95Å; F66-V122 HydrophobicContact CZ-CG2 3.85Å; V85-V122 HydrophobicContact CG1-CG2 3.27Å; L89-V122 HydrophobicContact CD1-CG1 4.41Å; L118-V122 HydrophobicContact CD1-CG2 4.25Å; L118-V122 HydrophobicContact CG-CG2 4.46Å; L118-V122 WeakPolarHBondContact O-CB 3.2Å; L118-V122 VanDerWaalsContact O-CG2 3.23Å; L118-V122 WeakPolarHBondContact O-CG2 3.46Å; L118-V122 PolarHBondContact O-N 3.31Å; C119-V122 PolarHBondContact O-N 3.43Å; V122-R125 PolarHBondContact O-N 2.89Å; V122-I126 HydrophobicContact CG1-CD1 3.81Å; V122-I126 HydrophobicContact CG1-CG1 4.41Å; V122-I126 WeakPolarHBondContact O-CB 3.3Å; V122-I126 VanDerWaalsContact O-CG1 3.26Å; V122-I126 WeakPolarHBondContact O-CG1 3.35Å; V122-I126 PolarHBondContact O-N 3.2Å
123V61.7Low65.7Low74 Ų7458.1 Ų58.145%0.44829%0.294SS..Hα-helixtrans-59.4-53174.2170.60000109.6C119 A120 F121 R125 I126 Y127C119-V123 WeakPolarHBondContact O-CB 3.45Å; C119-V123 WeakPolarHBondContact O-CG2 3.44Å; C119-V123 PolarHBondContact O-N 3.15Å; A120-V123 PolarHBondContact O-N 3.39Å; F121-V123 VanDerWaalsContact C-N 3.27Å; F121-V123 PolarHBondContact O-N 2.92Å; V123-R125 VanDerWaalsContact C-N 3.31Å; V123-R125 PolarHBondContact O-N 3.3Å; V123-I126 PolarHBondContact O-N 2.87Å; V123-Y127 HydrophobicContact CG1-CD2 3.54Å; V123-Y127 HydrophobicContact CG1-CE2 3.22Å; V123-Y127 WeakPolarHBondContact O-CD2 3.47Å; V123-Y127 PolarHBondContact O-N 2.9Å
124E64.3Low65Low95 Ų9558.2 Ų58.244%0.44430%0.295SS..Hα-helixtrans-56.1-42.9176.7-171-169.1156.900112.4A120 F121 Y127 K128A120-E124 WeakPolarHBondContact O-CB 3.43Å; A120-E124 PolarHBondContact O-N 2.73Å; F121-E124 PolarHBondContact O-N 3.29Å; E124-Y127 CarbonylContact O-C 3.6Å; E124-Y127 WeakPolarHBondContact O-CB 3.39Å; E124-Y127 PolarHBondContact O-N 3.3Å; E124-K128 HydrophobicContact CG-CD 4.34Å; E124-K128 WeakPolarHBondContact O-CB 3.07Å; E124-K128 WeakPolarHBondContact O-CG 3.41Å; E124-K128 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact OE1-CE 3.21Å; E124-K128 IonicContact OE1-NZ 2.88Å; E124-K128 PolarHBondContact OE1-NZ 2.98Å
125R68Low64.5Low73 Ų7356 Ų5628%0.27528%0.283SS..Hα-helixtrans-72.5-35.6-177.9-168.6154.3-179.8130.6-4.4112.9L89 D91 F121 V122 V123 Y127 K129L89-R125 HydrophobicContact CD1-CG 4.43Å; D91-R125 IonicContact OD2-CZ 2.63Å; D91-R125 IonicContact OD2-NE 2.86Å; D91-R125 PolarHBondContact OD2-NE 2.98Å; D91-R125 IonicContact OD2-NH2 3.35Å; D91-R125 PolarHBondContact OD2-NH2 3.12Å; F121-R125 HydrophobicContact CE1-CB 4.15Å; F121-R125 HydrophobicContact CZ-CB 4.23Å; F121-R125 HydrophobicContact CZ-CG 4.34Å; F121-R125 VanDerWaalsContact O-CB 3.31Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 PolarHBondContact O-N 3.22Å; V122-R125 PolarHBondContact O-N 2.89Å; V123-R125 VanDerWaalsContact C-N 3.31Å; V123-R125 PolarHBondContact O-N 3.3Å; R125-Y127 VanDerWaalsContact C-N 3.33Å; R125-K129 WeakPolarHBondContact O-CB 3.13Å; R125-K129 WeakPolarHBondContact O-CG 3.43Å; R125-K129 PolarHBondContact O-N 2.72Å
126I61.2Low64.6Low49 Ų4956.7 Ų56.725%0.25129%0.287SS..Hα-helixtrans-62.4-45.5168.9-71.7164.9000109.5I54 L62 L89 V122 V123 K129 K130I54-I126 HydrophobicContact CD1-CG2 4.23Å; L62-I126 HydrophobicContact CD2-CD1 3.44Å; L62-I126 VanDerWaalsContact CD2-CD1 3.44Å; L89-I126 HydrophobicContact CD2-CD1 4.01Å; L89-I126 HydrophobicContact CD2-CG1 3.55Å; V122-I126 HydrophobicContact CG1-CD1 3.81Å; V122-I126 HydrophobicContact CG1-CG1 4.41Å; V122-I126 WeakPolarHBondContact O-CB 3.3Å; V122-I126 VanDerWaalsContact O-CG1 3.26Å; V122-I126 WeakPolarHBondContact O-CG1 3.35Å; V122-I126 PolarHBondContact O-N 3.2Å; V123-I126 PolarHBondContact O-N 2.87Å; I126-K129 PolarHBondContact O-N 3.33Å; I126-K130 WeakPolarHBondContact O-CB 3.24Å; I126-K130 PolarHBondContact O-N 3.27Å
127Y55.9Low64.4Low122 Ų12255.6 Ų55.648%0.47827%0.272SS..Hα-helixtrans-61.7-46.6178.2-78.5-62.9000111.6V123 E124 R125 K130 L131 T203V123-Y127 HydrophobicContact CG1-CD2 3.54Å; V123-Y127 HydrophobicContact CG1-CE2 3.22Å; V123-Y127 WeakPolarHBondContact O-CD2 3.47Å; V123-Y127 PolarHBondContact O-N 2.9Å; E124-Y127 CarbonylContact O-C 3.6Å; E124-Y127 WeakPolarHBondContact O-CB 3.39Å; E124-Y127 PolarHBondContact O-N 3.3Å; R125-Y127 VanDerWaalsContact C-N 3.33Å; Y127-K130 PolarHBondContact O-N 3.01Å; Y127-L131 VanDerWaalsContact O-CB 3.3Å; Y127-L131 WeakPolarHBondContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.23Å; Y127-L131 PolarHBondContact O-N 3.47Å; Y127-T203 HydrophobicContact CE1-CG2 4.24Å
128K60.1Low64.2Low108 Ų10854.8 Ų54.847%0.4727%0.269SS..Hα-helixtrans-60.2-48.8175.6-78.9177.7170.5169.10112.2E124 K130 L131 D132E124-K128 HydrophobicContact CG-CD 4.34Å; E124-K128 WeakPolarHBondContact O-CB 3.07Å; E124-K128 WeakPolarHBondContact O-CG 3.41Å; E124-K128 PolarHBondContact O-N 2.76Å; E124-K128 WeakPolarHBondContact OE1-CE 3.21Å; E124-K128 IonicContact OE1-NZ 2.88Å; E124-K128 PolarHBondContact OE1-NZ 2.98Å; K128-K130 VanDerWaalsContact C-N 3.31Å; K128-K130 PolarHBondContact O-N 3.04Å; K128-L131 CarbonylContact O-C 3.47Å; K128-L131 WeakPolarHBondContact O-CB 3.27Å; K128-L131 PolarHBondContact O-N 3.42Å; K128-D132 WeakPolarHBondContact O-CB 3.19Å; K128-D132 VanDerWaalsContact O-CG 3.23Å; K128-D132 PolarHBondContact O-N 3.23Å
129K64.6Low64.1Low68 Ų6855.3 Ų55.330%0.29627%0.271SS..Hα-helixtrans-62.1-38.6176.7-82.2-176.5161.2178.50113.3L89 D91 R125 I126 D132 H133L89-K129 PolarHBondContact O-NZ 3.32Å; D91-K129 WeakPolarHBondContact OD1-CE 3.44Å; D91-K129 IonicContact OD1-NZ 2.64Å; D91-K129 PolarHBondContact OD1-NZ 2.86Å; D91-K129 WeakPolarHBondContact OD2-CE 3.34Å; D91-K129 IonicContact OD2-NZ 2.88Å; D91-K129 PolarHBondContact OD2-NZ 2.98Å; R125-K129 WeakPolarHBondContact O-CB 3.13Å; R125-K129 WeakPolarHBondContact O-CG 3.43Å; R125-K129 PolarHBondContact O-N 2.72Å; I126-K129 PolarHBondContact O-N 3.33Å; K129-D132 PolarHBondContact O-N 3.29Å; K129-H133 WeakPolarHBondContact O-CB 2.79Å; K129-H133 PolarHBondContact O-N 3.47Å
130K58Low64.5Low49 Ų4961.5 Ų61.521%0.21329%0.289CS..Hα-helixtrans-65.1-48.6175.7179.2175.5178-1790110I54 I126 Y127 K128 D132 H133 D134I54-K130 HydrophobicContact CD1-CD 4.31Å; I54-K130 HydrophobicContact CG1-CD 4.43Å; I126-K130 WeakPolarHBondContact O-CB 3.24Å; I126-K130 PolarHBondContact O-N 3.27Å; Y127-K130 PolarHBondContact O-N 3.01Å; K128-K130 VanDerWaalsContact C-N 3.31Å; K128-K130 PolarHBondContact O-N 3.04Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 3.11Å; K130-H133 PolarHBondContact O-N 3.3Å; K130-D134 WeakPolarHBondContact CE-OD2 3.27Å; K130-D134 WeakPolarHBondContact CG-OD2 3.48Å; K130-D134 VanDerWaalsContact O-CB 3.24Å; K130-D134 WeakPolarHBondContact O-CB 3.47Å; K130-D134 PolarHBondContact O-N 2.86Å
131L55.1Low64.7Low57 Ų5762.4 Ų62.430%0.29829%0.285SS..Hα-helixtrans-55.6-50.5174.2-74.6169.2000109.7Y127 K128 H133 D134 F135Y127-L131 VanDerWaalsContact O-CB 3.3Å; Y127-L131 WeakPolarHBondContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CG 3.23Å; Y127-L131 PolarHBondContact O-N 3.47Å; K128-L131 CarbonylContact O-C 3.47Å; K128-L131 WeakPolarHBondContact O-CB 3.27Å; K128-L131 PolarHBondContact O-N 3.42Å; L131-H133 PolarHBondContact O-N 3.21Å; L131-D134 PolarHBondContact O-N 2.65Å; L131-F135 WeakPolarHBondContact O-CA 3.24Å; L131-F135 WeakPolarHBondContact O-CB 3.38Å; L131-F135 WeakPolarHBondContact O-CD2 3.13Å; L131-F135 PolarHBondContact O-N 2.92Å
132D62.7Low64.9Low63 Ų6361.9 Ų61.934%0.33728%0.283SS..Hα-helixtrans-59.6-47.1-179.9-70.5-14.5000112.4K128 K129 K130 F135 E136 Y188 L192K128-D132 WeakPolarHBondContact O-CB 3.19Å; K128-D132 VanDerWaalsContact O-CG 3.23Å; K128-D132 PolarHBondContact O-N 3.23Å; K129-D132 PolarHBondContact O-N 3.29Å; K130-D132 VanDerWaalsContact C-N 3.33Å; K130-D132 PolarHBondContact O-N 3.11Å; D132-F135 CarbonylContact O-C 3.57Å; D132-F135 WeakPolarHBondContact O-CB 3.28Å; D132-F135 PolarHBondContact O-N 2.97Å; D132-E136 WeakPolarHBondContact O-CB 3.47Å; D132-E136 WeakPolarHBondContact O-CG 2.97Å; D132-E136 PolarHBondContact O-N 3.16Å; D132-Y188 WeakPolarHBondContact CA-OH 3.36Å; D132-Y188 PolarHBondContact O-OH 3.35Å; D132-Y188 PolarHBondContact OD1-OH 3.49Å; D132-L192 WeakPolarHBondContact OD1-CD1 3.28Å
133H62.6Low65.5Low83 Ų8362.7 Ų62.738%0.38429%0.288SS..Hα-helixtrans-65.3-50.8178.6178.2-77.4000111.9K129 K130 L131 F135 E136 E137K129-H133 WeakPolarHBondContact O-CB 2.79Å; K129-H133 PolarHBondContact O-N 3.47Å; K130-H133 PolarHBondContact O-N 3.3Å; L131-H133 PolarHBondContact O-N 3.21Å; H133-F135 PolarHBondContact O-N 2.76Å; H133-E136 PolarHBondContact O-N 3.41Å; H133-E137 IonicContact CE1-OE2 2.95Å; H133-E137 PolarHBondContact O-N 3.22Å
134D61.1Low66.2Low10 Ų1064.2 Ų64.25%0.05329%0.29CS..Hα-helixtrans-63.9-29.3178-63.3-30.6000110.1K130 L131 L138 I204K130-D134 WeakPolarHBondContact CE-OD2 3.27Å; K130-D134 WeakPolarHBondContact CG-OD2 3.48Å; K130-D134 VanDerWaalsContact O-CB 3.24Å; K130-D134 WeakPolarHBondContact O-CB 3.47Å; K130-D134 PolarHBondContact O-N 2.86Å; L131-D134 PolarHBondContact O-N 2.65Å; D134-L138 VanDerWaalsContact O-CB 3.31Å; D134-L138 WeakPolarHBondContact O-CB 3.42Å; D134-L138 PolarHBondContact O-N 3.02Å; D134-I204 HydrophobicContact CB-CD1 3.95Å; D134-I204 WeakPolarHBondContact OD2-CD1 3.31Å
135F64Low67Low18 Ų1864.5 Ų64.58%0.07930%0.295CS..Hα-helixtrans-71.1-44.7172-108.6-86.7000113.4L131 D132 H133 E137 L138 F139 Y188 L191 I195L131-F135 WeakPolarHBondContact O-CA 3.24Å; L131-F135 WeakPolarHBondContact O-CB 3.38Å; L131-F135 WeakPolarHBondContact O-CD2 3.13Å; L131-F135 PolarHBondContact O-N 2.92Å; D132-F135 CarbonylContact O-C 3.57Å; D132-F135 WeakPolarHBondContact O-CB 3.28Å; D132-F135 PolarHBondContact O-N 2.97Å; H133-F135 PolarHBondContact O-N 2.76Å; F135-E137 PolarHBondContact O-N 2.81Å; F135-L138 HydrophobicContact CE1-CD2 3.82Å; F135-L138 HydrophobicContact CZ-CD2 3.69Å; F135-L138 PolarHBondContact O-N 3.11Å; F135-F139 WeakPolarHBondContact O-CB 3.42Å; F135-F139 PolarHBondContact O-N 3.5Å; F135-Y188 HydrophobicContact CB-CE2 4.02Å; F135-L191 HydrophobicContact CD1-CD2 4.26Å; F135-L191 HydrophobicContact CE1-CD2 3.61Å; F135-L191 HydrophobicContact CE1-CG 3.75Å; F135-I195 HydrophobicContact CE1-CD1 3.43Å; F135-I195 VanDerWaalsContact CE1-CD1 3.43Å; F135-I195 HydrophobicContact CE2-CD1 3.5Å; F135-I195 VanDerWaalsContact CE2-CD1 3.5Å; F135-I195 HydrophobicContact CE2-CG2 4.49Å; F135-I195 HydrophobicContact CZ-CD1 2.84Å; F135-I195 HydrophobicContact CZ-CG1 4.3Å
136E69Low67.7Low86 Ų8663.8 Ų63.840%0.40231%0.309SS..Hα-helixtrans-63-36.4177.3-80.5-177.3-168.200111.1D132 H133 R140 Y188D132-E136 WeakPolarHBondContact O-CB 3.47Å; D132-E136 WeakPolarHBondContact O-CG 2.97Å; D132-E136 PolarHBondContact O-N 3.16Å; H133-E136 PolarHBondContact O-N 3.41Å; E136-R140 VanDerWaalsContact O-CB 3.28Å; E136-R140 WeakPolarHBondContact O-CB 3.39Å; E136-R140 VanDerWaalsContact O-CG 3.28Å; E136-R140 WeakPolarHBondContact O-CG 3.31Å; E136-R140 PolarHBondContact O-N 2.98Å; E136-R140 PolarHBondContact O-NE 3.01Å; E136-R140 IonicContact OE2-NH2 3.99Å; E136-R140 PolarHBondContact OE2-NH2 2.78Å; E136-Y188 HydrophobicContact CG-CE2 4Å
137E67.8Low68.8Low61 Ų6165.7 Ų65.729%0.28532%0.32SS..Hα-helixtrans-69.3-46.6174.4-169.2176.4165.500110.9A50 H133 F135 F139 R140 L141A50-E137 HydrophobicContact CB-CB 4.39Å; A50-E137 HydrophobicContact CB-CG 4.08Å; H133-E137 IonicContact CE1-OE2 2.95Å; H133-E137 PolarHBondContact O-N 3.22Å; F135-E137 PolarHBondContact O-N 2.81Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.17Å; E137-R140 PolarHBondContact O-N 3.31Å; E137-L141 HydrophobicContact CG-CD1 4.36Å; E137-L141 WeakPolarHBondContact O-CB 2.97Å; E137-L141 VanDerWaalsContact O-CG 3.27Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.06Å
138L65.4Low70.1Confident7 Ų762 Ų624%0.03732%0.319CS..Hα-helixtrans-57-46.7173.8-177.373.5000111.1L46 V47 D134 F135 L141 L142L46-L138 HydrophobicContact CB-CD1 4.06Å; V47-L138 HydrophobicContact CG2-CD1 3.92Å; V47-L138 HydrophobicContact CG2-CD2 3.82Å; V47-L138 HydrophobicContact CG2-CG 4.48Å; D134-L138 VanDerWaalsContact O-CB 3.31Å; D134-L138 WeakPolarHBondContact O-CB 3.42Å; D134-L138 PolarHBondContact O-N 3.02Å; F135-L138 HydrophobicContact CE1-CD2 3.82Å; F135-L138 HydrophobicContact CZ-CD2 3.69Å; F135-L138 PolarHBondContact O-N 3.11Å; L138-L141 WeakPolarHBondContact O-CB 3.41Å; L138-L141 PolarHBondContact O-N 2.97Å; L138-L142 HydrophobicContact CD1-CD1 4.37Å; L138-L142 HydrophobicContact CD2-CD1 4.34Å; L138-L142 HydrophobicContact CG-CD1 3.85Å; L138-L142 HydrophobicContact CG-CG 4.46Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.02Å
139F71.3Confident71.3Confident14 Ų1457.5 Ų57.56%0.06130%0.302CS..Hα-helixtrans-63.8-44.2-179.8-165-82.9000110.9F135 E137 L141 L142 D143 G148 L150 Y188 L191F135-F139 WeakPolarHBondContact O-CB 3.42Å; F135-F139 PolarHBondContact O-N 3.5Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.17Å; F139-L141 VanDerWaalsContact C-N 3.3Å; F139-L141 PolarHBondContact O-N 3.13Å; F139-L142 CarbonylContact O-C 3.57Å; F139-L142 PolarHBondContact O-N 2.69Å; F139-L142 VanDerWaalsContact O-N 3.09Å; F139-D143 HydrophobicContact CD1-CB 4.11Å; F139-D143 HydrophobicContact CE1-CB 4.02Å; F139-D143 VanDerWaalsContact O-CB 3.23Å; F139-D143 WeakPolarHBondContact O-CB 3.24Å; F139-D143 PolarHBondContact O-N 3.26Å; F139-G148 WeakPolarHBondContact CE1-O 3.32Å; F139-G148 WeakPolarHBondContact CZ-O 3.31Å; F139-L150 HydrophobicContact CD1-CD2 4.3Å; F139-L150 HydrophobicContact CD2-CD1 4.06Å; F139-L150 HydrophobicContact CD2-CD2 4.18Å; F139-L150 HydrophobicContact CD2-CG 4.02Å; F139-L150 HydrophobicContact CE1-CD2 4.07Å; F139-L150 HydrophobicContact CE1-CG 4.47Å; F139-L150 HydrophobicContact CE2-CD1 3.97Å; F139-L150 HydrophobicContact CE2-CD2 3.96Å; F139-L150 HydrophobicContact CE2-CG 3.55Å; F139-L150 HydrophobicContact CG-CD2 4.35Å; F139-L150 HydrophobicContact CZ-CD2 3.9Å; F139-L150 HydrophobicContact CZ-CG 3.81Å; F139-Y188 HydrophobicContact CB-CD2 4.41Å; F139-Y188 HydrophobicContact CD2-CD2 4.26Å; F139-Y188 HydrophobicContact CG-CD2 4.31Å; F139-L191 HydrophobicContact CD2-CD2 4.25Å
140R75.2Confident72.2Confident164 Ų16454.3 Ų54.362%0.61929%0.288SS*.Hα-helixtrans-63.5-31.5174-81.5-176.6-96.5-150.1-8.6113.9E136 E137 L142E136-R140 VanDerWaalsContact O-CB 3.28Å; E136-R140 WeakPolarHBondContact O-CB 3.39Å; E136-R140 VanDerWaalsContact O-CG 3.28Å; E136-R140 WeakPolarHBondContact O-CG 3.31Å; E136-R140 PolarHBondContact O-N 2.98Å; E136-R140 PolarHBondContact O-NE 3.01Å; E136-R140 IonicContact OE2-NH2 3.99Å; E136-R140 PolarHBondContact OE2-NH2 2.78Å; E137-R140 PolarHBondContact O-N 3.31Å; R140-L142 VanDerWaalsContact C-N 3.32Å
141L72Confident73.5Confident82 Ų8252.5 Ų52.543%0.42928%0.282SS..Hα-helixtrans-72.5-30.7173.7-73.4170000111.9E137 L138 F139E137-L141 HydrophobicContact CG-CD1 4.36Å; E137-L141 WeakPolarHBondContact O-CB 2.97Å; E137-L141 VanDerWaalsContact O-CG 3.27Å; E137-L141 WeakPolarHBondContact O-CG 3.48Å; E137-L141 PolarHBondContact O-N 3.06Å; L138-L141 WeakPolarHBondContact O-CB 3.41Å; L138-L141 PolarHBondContact O-N 2.97Å; F139-L141 VanDerWaalsContact C-N 3.3Å; F139-L141 PolarHBondContact O-N 3.13Å
142L73.5Confident74.9Confident14 Ų1451.2 Ų51.27%0.07327%0.274CS..Hα-helixtrans-81-46.7179.4-67.3170.4000111.4L46 L138 F139 R140 Q144 L150 D154 I158L46-L142 HydrophobicContact CD1-CD2 4.5Å; L138-L142 HydrophobicContact CD1-CD1 4.37Å; L138-L142 HydrophobicContact CD2-CD1 4.34Å; L138-L142 HydrophobicContact CG-CD1 3.85Å; L138-L142 HydrophobicContact CG-CG 4.46Å; L138-L142 WeakPolarHBondContact O-CB 3.35Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.02Å; F139-L142 CarbonylContact O-C 3.57Å; F139-L142 PolarHBondContact O-N 2.69Å; F139-L142 VanDerWaalsContact O-N 3.09Å; R140-L142 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 3.3Å; L142-L150 HydrophobicContact CB-CD1 3.8Å; L142-L150 HydrophobicContact CB-CD2 3.41Å; L142-L150 VanDerWaalsContact CB-CD2 3.41Å; L142-L150 HydrophobicContact CB-CG 4.23Å; L142-L150 HydrophobicContact CD1-CD1 3.64Å; L142-L150 HydrophobicContact CG-CD1 4.32Å; L142-D154 VanDerWaalsContact O-CB 3.24Å; L142-D154 WeakPolarHBondContact O-CB 3.24Å; L142-I158 HydrophobicContact CD2-CB 3.86Å; L142-I158 HydrophobicContact CD2-CG1 3.72Å; L142-I158 HydrophobicContact CD2-CG2 3.49Å; L142-I158 VanDerWaalsContact CD2-CG2 3.49Å
143D82Confident76Confident20 Ų2052.6 Ų52.611%0.10728%0.281CS..  trans-7287.2179.3-178.84000110.2F139 D145 G146 D147 G148 L150F139-D143 HydrophobicContact CD1-CB 4.11Å; F139-D143 HydrophobicContact CE1-CB 4.02Å; F139-D143 VanDerWaalsContact O-CB 3.23Å; F139-D143 WeakPolarHBondContact O-CB 3.24Å; F139-D143 PolarHBondContact O-N 3.26Å; D143-D145 VanDerWaalsContact OD1-OD1 3.14Å; D143-G146 WeakPolarHBondContact OD1-CA 3.19Å; D143-G146 PolarHBondContact OD1-N 3.36Å; D143-D147 PolarHBondContact OD1-N 3Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D143-G148 VanDerWaalsContact OD2-CA 3.27Å; D143-G148 WeakPolarHBondContact OD2-CA 3.37Å; D143-G148 PolarHBondContact OD2-N 2.83Å; D143-L150 HydrophobicContact CB-CD2 3.7Å; D143-L150 VanDerWaalsContact N-CD2 3.28Å
144Q75.9Confident77Confident105 Ų10548.8 Ų48.849%0.49126%0.264SS..SBendtrans-83.8-27-173.8-66.6-164-26.400113L142 D154 N157L142-Q144 PolarHBondContact O-N 3.3Å; Q144-D154 PolarHBondContact N-OD1 2.93Å; Q144-N157 PolarHBondContact OE1-ND2 3.33Å
145D81.9Confident77.8Confident102 Ų10249.2 Ų49.255%0.54527%0.266SS..SBendtrans-86.8-15.1175.969.29.3000112.9D143 D147D143-D145 VanDerWaalsContact OD1-OD1 3.14Å; D145-D147 PolarHBondContact OD1-N 2.74Å
146G82.1Confident78.6Confident57 Ų5750.3 Ų50.359%0.58827%0.27SS*.  trans77.524.8172.800000113.1D143 G148D143-G146 WeakPolarHBondContact OD1-CA 3.19Å; D143-G146 PolarHBondContact OD1-N 3.36Å; G146-G148 VanDerWaalsContact C-N 3.28Å
147D85.2Confident79Confident89 Ų8949 Ų4948%0.47627%0.266SS..SBendtrans-81.7-6.3-177.586.5-8.7000113.6D143 D145 A149D143-D147 PolarHBondContact OD1-N 3Å; D143-D147 VanDerWaalsContact OD1-N 3.15Å; D145-D147 PolarHBondContact OD1-N 2.74Å; D147-A149 VanDerWaalsContact C-N 3.33Å; D147-A149 VanDerWaalsContact OD1-CA 3.32Å; D147-A149 WeakPolarHBondContact OD1-CA 3.49Å; D147-A149 WeakPolarHBondContact OD1-CB 3.31Å; D147-A149 PolarHBondContact OD1-N 3.22Å
148G83.5Confident79.2Confident45 Ų4546.7 Ų46.746%0.46426%0.255SS..SBendtrans83.76.8-178.700000114F139 D143 G146F139-G148 WeakPolarHBondContact CE1-O 3.32Å; F139-G148 WeakPolarHBondContact CZ-O 3.31Å; D143-G148 VanDerWaalsContact OD2-CA 3.27Å; D143-G148 WeakPolarHBondContact OD2-CA 3.37Å; D143-G148 PolarHBondContact OD2-N 2.83Å; G146-G148 VanDerWaalsContact C-N 3.28Å
149A85.3Confident79.5Confident13 Ų1347 Ų4711%0.10726%0.257CS..EExtended strand (participates in β ladder)trans-128154.9172.800000109.7D147 F185D147-A149 VanDerWaalsContact C-N 3.33Å; D147-A149 VanDerWaalsContact OD1-CA 3.32Å; D147-A149 WeakPolarHBondContact OD1-CA 3.49Å; D147-A149 WeakPolarHBondContact OD1-CB 3.31Å; D147-A149 PolarHBondContact OD1-N 3.22Å; A149-F185 HydrophobicContact CB-CB 4.06Å; A149-F185 HydrophobicContact CB-CD1 4.13Å; A149-F185 HydrophobicContact CB-CG 4.45Å
150L83.3Confident79.5Confident1 Ų153.4 Ų53.41%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-94.6108.6169-48.7179000108.3F139 L142 D143 D154 L155 F185 I186 L191F139-L150 HydrophobicContact CD1-CD2 4.3Å; F139-L150 HydrophobicContact CD2-CD1 4.06Å; F139-L150 HydrophobicContact CD2-CD2 4.18Å; F139-L150 HydrophobicContact CD2-CG 4.02Å; F139-L150 HydrophobicContact CE1-CD2 4.07Å; F139-L150 HydrophobicContact CE1-CG 4.47Å; F139-L150 HydrophobicContact CE2-CD1 3.97Å; F139-L150 HydrophobicContact CE2-CD2 3.96Å; F139-L150 HydrophobicContact CE2-CG 3.55Å; F139-L150 HydrophobicContact CG-CD2 4.35Å; F139-L150 HydrophobicContact CZ-CD2 3.9Å; F139-L150 HydrophobicContact CZ-CG 3.81Å; L142-L150 HydrophobicContact CB-CD1 3.8Å; L142-L150 HydrophobicContact CB-CD2 3.41Å; L142-L150 VanDerWaalsContact CB-CD2 3.41Å; L142-L150 HydrophobicContact CB-CG 4.23Å; L142-L150 HydrophobicContact CD1-CD1 3.64Å; L142-L150 HydrophobicContact CG-CD1 4.32Å; D143-L150 HydrophobicContact CB-CD2 3.7Å; D143-L150 VanDerWaalsContact N-CD2 3.28Å; L150-D154 HydrophobicContact CB-CB 4.49Å; L150-L155 HydrophobicContact CD1-CD2 4.44Å; L150-F185 WeakPolarHBondContact O-CA 3.38Å; L150-I186 HydrophobicContact CB-CB 4.14Å; L150-I186 PolarHBondContact N-O 2.9Å; L150-I186 PolarHBondContact O-N 3.22Å; L150-L191 HydrophobicContact CD1-CD2 4.13Å
151S84.7Confident79.2Confident11 Ų1153.7 Ų53.78%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-70.4166.8169.275.60000110.8D153 D154 L155S151-D153 PolarHBondContact O-N 3.25Å; S151-D153 PolarHBondContact OG-N 2.94Å; S151-D154 WeakPolarHBondContact CA-OD2 3.39Å; S151-D154 VanDerWaalsContact CB-OD2 3.22Å; S151-D154 WeakPolarHBondContact CB-OD2 3.34Å; S151-D154 PolarHBondContact N-OD2 3.15Å; S151-D154 WeakPolarHBondContact O-CB 3.36Å; S151-D154 PolarHBondContact O-N 2.82Å; S151-D154 VanDerWaalsContact OG-CG 3.28Å; S151-D154 PolarHBondContact OG-N 2.89Å; S151-D154 PolarHBondContact OG-OD2 3.09Å; S151-L155 PolarHBondContact O-N 2.93Å
152K84.3Confident78.7Confident31 Ų3152.3 Ų52.314%0.13527%0.273CS..Hα-helixtrans-59.2-30.1168.2-69.5178.7178171.80111.8R156 I171 N172 V175 N184K152-R156 VanDerWaalsContact O-CG 3.29Å; K152-R156 WeakPolarHBondContact O-CG 3.26Å; K152-R156 PolarHBondContact O-N 2.99Å; K152-I171 HydrophobicContact CB-CG2 3.99Å; K152-I171 HydrophobicContact CG-CG2 3.99Å; K152-N172 WeakPolarHBondContact CD-OD1 3.14Å; K152-N172 WeakPolarHBondContact CE-OD1 3.47Å; K152-N172 PolarHBondContact NZ-OD1 3.03Å; K152-V175 HydrophobicContact CG-CG2 4.05Å; K152-N184 WeakPolarHBondContact CE-OD1 3.4Å; K152-N184 PolarHBondContact N-O 3.39Å; K152-N184 PolarHBondContact NZ-OD1 3.17Å
153D85.1Confident78.5Confident91 Ų9160.4 Ų60.449%0.48731%0.311SS..Hα-helixtrans-75.2-37.2180-68.9-47.2000111.8S151 L155 R156 N157S151-D153 PolarHBondContact O-N 3.25Å; S151-D153 PolarHBondContact OG-N 2.94Å; D153-L155 PolarHBondContact O-N 3.18Å; D153-R156 PolarHBondContact O-N 2.85Å; D153-R156 VanDerWaalsContact O-N 3.14Å; D153-R156 IonicContact OD1-CZ 3.8Å; D153-R156 IonicContact OD1-NH1 2.72Å; D153-R156 PolarHBondContact OD1-NH1 3.44Å; D153-N157 WeakPolarHBondContact O-CB 3.13Å; D153-N157 PolarHBondContact O-N 2.96Å; D153-N157 PolarHBondContact O-ND2 3.27Å; D153-N157 PolarHBondContact O-OD1 2.94Å
154D84Confident77.9Confident4 Ų462 Ų622%0.02132%0.319CS..Hα-helixtrans-57-48.8170.3-68.5-50.1000111.7L142 Q144 L150 S151 R156 N157 I158L142-D154 VanDerWaalsContact O-CB 3.24Å; L142-D154 WeakPolarHBondContact O-CB 3.24Å; Q144-D154 PolarHBondContact N-OD1 2.93Å; L150-D154 HydrophobicContact CB-CB 4.49Å; S151-D154 WeakPolarHBondContact CA-OD2 3.39Å; S151-D154 VanDerWaalsContact CB-OD2 3.22Å; S151-D154 WeakPolarHBondContact CB-OD2 3.34Å; S151-D154 PolarHBondContact N-OD2 3.15Å; S151-D154 WeakPolarHBondContact O-CB 3.36Å; S151-D154 PolarHBondContact O-N 2.82Å; S151-D154 VanDerWaalsContact OG-CG 3.28Å; S151-D154 PolarHBondContact OG-N 2.89Å; S151-D154 PolarHBondContact OG-OD2 3.09Å; D154-R156 PolarHBondContact O-N 2.88Å; D154-N157 PolarHBondContact O-N 3.05Å; D154-I158 PolarHBondContact O-N 3.07Å
155L78.9Confident77.7Confident19 Ų1963.6 Ų63.610%0.09933%0.331CS..Hα-helixtrans-61-42174.1-65.5178.3000111.9L150 S151 D153 I158 L159 I171 V175 I186L150-L155 HydrophobicContact CD1-CD2 4.44Å; S151-L155 PolarHBondContact O-N 2.93Å; D153-L155 PolarHBondContact O-N 3.18Å; L155-I158 VanDerWaalsContact O-CG2 3.27Å; L155-I158 WeakPolarHBondContact O-CG2 3.26Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CD1 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.27Å; L155-L159 VanDerWaalsContact O-N 3.09Å; L155-I171 HydrophobicContact CB-CG2 4.5Å; L155-I171 HydrophobicContact CD1-CG2 4.37Å; L155-V175 HydrophobicContact CD1-CG2 3.73Å; L155-I186 HydrophobicContact CD1-CD1 3.78Å
156R79.9Confident77.4Confident40 Ų4060.7 Ų60.715%0.15131%0.313CS..Hα-helixtrans-64.3-43.2176.6-76.5179.6-164.8103.12.7111.5K152 D153 D154 L159 R160 D168 I171K152-R156 VanDerWaalsContact O-CG 3.29Å; K152-R156 WeakPolarHBondContact O-CG 3.26Å; K152-R156 PolarHBondContact O-N 2.99Å; D153-R156 PolarHBondContact O-N 2.85Å; D153-R156 VanDerWaalsContact O-N 3.14Å; D153-R156 IonicContact OD1-CZ 3.8Å; D153-R156 IonicContact OD1-NH1 2.72Å; D153-R156 PolarHBondContact OD1-NH1 3.44Å; D154-R156 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 2.59Å; R156-R160 WeakPolarHBondContact O-CB 3.41Å; R156-R160 VanDerWaalsContact O-CG 3.32Å; R156-R160 WeakPolarHBondContact O-CG 3.45Å; R156-R160 PolarHBondContact O-N 3.02Å; R156-D168 IonicContact CZ-OD1 3.21Å; R156-D168 IonicContact NE-OD1 2.88Å; R156-D168 PolarHBondContact NE-OD1 3.37Å; R156-D168 IonicContact NH2-OD1 2.71Å; R156-D168 PolarHBondContact NH2-OD1 3.08Å; R156-I171 HydrophobicContact CG-CD1 4.45Å; R156-I171 HydrophobicContact CG-CG1 4.18Å
157N78.2Confident77.2Confident60 Ų6060.8 Ų60.832%0.32131%0.305SS..Hα-helixtrans-67.3-42.9-175.4-68.7-18.1000111.1Q144 D153 D154 R160 Y161Q144-N157 PolarHBondContact OE1-ND2 3.33Å; D153-N157 WeakPolarHBondContact O-CB 3.13Å; D153-N157 PolarHBondContact O-N 2.96Å; D153-N157 PolarHBondContact O-ND2 3.27Å; D153-N157 PolarHBondContact O-OD1 2.94Å; D154-N157 PolarHBondContact O-N 3.05Å; N157-R160 PolarHBondContact O-N 3.2Å; N157-Y161 WeakPolarHBondContact O-CB 3.5Å; N157-Y161 PolarHBondContact O-N 3.48Å
158I71.9Confident77Confident11 Ų1160.9 Ų60.96%0.05631%0.305CS..Hα-helixtrans-65.7-41.6175.1-160.672.1000111L46 L142 D154 L155 R160 Y161 F162L46-I158 HydrophobicContact CD1-CG1 3.82Å; L46-I158 HydrophobicContact CD2-CD1 3.95Å; L46-I158 HydrophobicContact CD2-CG1 3.81Å; L46-I158 HydrophobicContact CG-CG1 4.39Å; L142-I158 HydrophobicContact CD2-CB 3.86Å; L142-I158 HydrophobicContact CD2-CG1 3.72Å; L142-I158 HydrophobicContact CD2-CG2 3.49Å; L142-I158 VanDerWaalsContact CD2-CG2 3.49Å; D154-I158 PolarHBondContact O-N 3.07Å; L155-I158 VanDerWaalsContact O-CG2 3.27Å; L155-I158 WeakPolarHBondContact O-CG2 3.26Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.32Å; I158-Y161 WeakPolarHBondContact O-CA 3.38Å; I158-Y161 VanDerWaalsContact O-CB 3.31Å; I158-Y161 WeakPolarHBondContact O-CB 3.36Å; I158-Y161 PolarHBondContact O-N 2.95Å; I158-Y161 VanDerWaalsContact O-N 3.08Å; I158-F162 HydrophobicContact CD1-CE2 3.96Å; I158-F162 HydrophobicContact CG1-CD2 4.12Å; I158-F162 HydrophobicContact CG1-CE2 3.9Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.49Å; I158-F162 PolarHBondContact O-N 3Å; I158-F162 VanDerWaalsContact O-N 3.09Å
159L71.7Confident76.8Confident14 Ų1466.2 Ų66.27%0.07332%0.319CS..Hα-helixtrans-64.5-41.6-179.3-67.6165.5000110.4T42 L155 R156 Y161 F162 E163 L164 F166 I171T42-L159 HydrophobicContact CG2-CD2 4.17Å; L155-L159 WeakPolarHBondContact O-CB 3.44Å; L155-L159 WeakPolarHBondContact O-CD1 3.49Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.27Å; L155-L159 VanDerWaalsContact O-N 3.09Å; R156-L159 PolarHBondContact O-N 2.59Å; L159-Y161 VanDerWaalsContact C-N 3.32Å; L159-Y161 PolarHBondContact O-N 3.41Å; L159-F162 CarbonylContact O-C 3.04Å; L159-F162 PolarHBondContact O-N 3.04Å; L159-F162 VanDerWaalsContact O-N 3.12Å; L159-E163 PolarHBondContact O-N 3.44Å; L159-L164 CarbonylContact C-O 3.59Å; L159-L164 HydrophobicContact CB-CB 4.47Å; L159-L164 WeakPolarHBondContact CB-O 3.44Å; L159-L164 WeakPolarHBondContact O-CA 3.24Å; L159-L164 WeakPolarHBondContact O-CB 3.34Å; L159-L164 PolarHBondContact O-N 3.46Å; L159-F166 HydrophobicContact CB-CD2 4.18Å; L159-F166 HydrophobicContact CD1-CB 4.5Å; L159-F166 HydrophobicContact CD1-CD2 3.73Å; L159-F166 HydrophobicContact CD1-CE2 4.46Å; L159-F166 HydrophobicContact CD1-CG 4.49Å; L159-F166 HydrophobicContact CD2-CD2 3.88Å; L159-F166 HydrophobicContact CD2-CE2 3.82Å; L159-F166 HydrophobicContact CG-CD2 4.12Å; L159-I171 HydrophobicContact CD1-CD1 3.32Å
160R71.2Confident76.2Confident148 Ų14867.3 Ų67.356%0.55832%0.322SS*.Hα-helixtrans-61.8-37.4171.4-75.3177.1-179.4169.92.8113R156 N157 I158 F162 E163 L164R156-R160 WeakPolarHBondContact O-CB 3.41Å; R156-R160 VanDerWaalsContact O-CG 3.32Å; R156-R160 WeakPolarHBondContact O-CG 3.45Å; R156-R160 PolarHBondContact O-N 3.02Å; N157-R160 PolarHBondContact O-N 3.2Å; I158-R160 VanDerWaalsContact C-N 3.32Å; I158-R160 PolarHBondContact O-N 3.32Å; R160-F162 PolarHBondContact O-N 2.89Å; R160-E163 WeakPolarHBondContact O-CA 3.22Å; R160-E163 PolarHBondContact O-N 3.14Å; R160-L164 PolarHBondContact N-O 2.77Å
161Y68.9Low75.9Confident171 Ų17167.3 Ų67.367%0.67132%0.322SS*.Hα-helixtrans-60.9-33.7174.8179.6-92.9000112N157 I158 L159 E163N157-Y161 WeakPolarHBondContact O-CB 3.5Å; N157-Y161 PolarHBondContact O-N 3.48Å; I158-Y161 WeakPolarHBondContact O-CA 3.38Å; I158-Y161 VanDerWaalsContact O-CB 3.31Å; I158-Y161 WeakPolarHBondContact O-CB 3.36Å; I158-Y161 PolarHBondContact O-N 2.95Å; I158-Y161 VanDerWaalsContact O-N 3.08Å; L159-Y161 VanDerWaalsContact C-N 3.32Å; L159-Y161 PolarHBondContact O-N 3.41Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.47Å
162F62Low75.8Confident53 Ų5369.8 Ų69.823%0.23234%0.335CS..THydrogen-bonded Turntrans-86.515.9171.2-72.1-81.6000114.3T42 L46 I158 L159 R160 L164T42-F162 HydrophobicContact CG2-CB 4.01Å; T42-F162 HydrophobicContact CG2-CG 4.26Å; L46-F162 HydrophobicContact CD1-CD2 3.93Å; L46-F162 HydrophobicContact CD1-CE2 3.77Å; L46-F162 HydrophobicContact CD1-CZ 4.45Å; L46-F162 HydrophobicContact CD2-CD2 4.11Å; L46-F162 HydrophobicContact CD2-CE2 3.11Å; L46-F162 HydrophobicContact CD2-CZ 3.38Å; L46-F162 HydrophobicContact CG-CD2 3.83Å; L46-F162 HydrophobicContact CG-CE1 4.3Å; L46-F162 HydrophobicContact CG-CE2 3.23Å; L46-F162 HydrophobicContact CG-CZ 3.48Å; L46-F162 VanDerWaalsContact CG-CZ 3.48Å; I158-F162 HydrophobicContact CD1-CE2 3.96Å; I158-F162 HydrophobicContact CG1-CD2 4.12Å; I158-F162 HydrophobicContact CG1-CE2 3.9Å; I158-F162 VanDerWaalsContact O-CD2 3.26Å; I158-F162 WeakPolarHBondContact O-CD2 3.49Å; I158-F162 PolarHBondContact O-N 3Å; I158-F162 VanDerWaalsContact O-N 3.09Å; L159-F162 CarbonylContact O-C 3.04Å; L159-F162 PolarHBondContact O-N 3.04Å; L159-F162 VanDerWaalsContact O-N 3.12Å; R160-F162 PolarHBondContact O-N 2.89Å; F162-L164 PolarHBondContact O-N 3.09Å
163E69.1Low75.5Confident184 Ų18470.1 Ų70.186%0.8635%0.346SS*.THydrogen-bonded Turntrans59.427.5-177.4-55.2-177164.300114L159 R160 Y161L159-E163 PolarHBondContact O-N 3.44Å; R160-E163 WeakPolarHBondContact O-CA 3.22Å; R160-E163 PolarHBondContact O-N 3.14Å; Y161-E163 VanDerWaalsContact C-N 3.26Å; Y161-E163 PolarHBondContact O-N 3.47Å
164L69.1Low74.9Confident52 Ų5267.9 Ų67.927%0.27233%0.334SS..  trans-109.5120.2176.4-60.4177.2000111T42 L159 R160 F162 F166T42-L164 VanDerWaalsContact CB-CD1 3.45Å; T42-L164 HydrophobicContact CG2-CD1 3.15Å; T42-L164 HydrophobicContact CG2-CG 4.39Å; T42-L164 WeakPolarHBondContact OG1-CD1 3.27Å; L159-L164 CarbonylContact C-O 3.59Å; L159-L164 HydrophobicContact CB-CB 4.47Å; L159-L164 WeakPolarHBondContact CB-O 3.44Å; L159-L164 WeakPolarHBondContact O-CA 3.24Å; L159-L164 WeakPolarHBondContact O-CB 3.34Å; L159-L164 PolarHBondContact O-N 3.46Å; R160-L164 PolarHBondContact N-O 2.77Å; F162-L164 PolarHBondContact O-N 3.09Å; L164-F166 HydrophobicContact CB-CD2 4.05Å; L164-F166 HydrophobicContact CB-CE2 3.7Å; L164-F166 HydrophobicContact CD1-CE2 3.85Å; L164-F166 HydrophobicContact CD1-CZ 4.36Å; L164-F166 HydrophobicContact CG-CE2 4.37Å
165D71.5Confident74.7Confident139 Ų13967.8 Ų67.874%0.74333%0.333SS*.  trans-104.6107.8175.3-157.921.2000109
166F76.3Confident74.8Confident41 Ų4172.3 Ų72.318%0.1835%0.353CS..  trans-104.8139176.6-73.9-72.6000109.7K39 L159 L164 I170 I171K39-F166 HydrophobicContact CB-CZ 4.35Å; K39-F166 HydrophobicContact CD-CE1 4.45Å; K39-F166 HydrophobicContact CG-CD1 4.27Å; K39-F166 HydrophobicContact CG-CE1 3.47Å; K39-F166 VanDerWaalsContact CG-CE1 3.47Å; K39-F166 HydrophobicContact CG-CZ 3.72Å; L159-F166 HydrophobicContact CB-CD2 4.18Å; L159-F166 HydrophobicContact CD1-CB 4.5Å; L159-F166 HydrophobicContact CD1-CD2 3.73Å; L159-F166 HydrophobicContact CD1-CE2 4.46Å; L159-F166 HydrophobicContact CD1-CG 4.49Å; L159-F166 HydrophobicContact CD2-CD2 3.88Å; L159-F166 HydrophobicContact CD2-CE2 3.82Å; L159-F166 HydrophobicContact CG-CD2 4.12Å; L164-F166 HydrophobicContact CB-CD2 4.05Å; L164-F166 HydrophobicContact CB-CE2 3.7Å; L164-F166 HydrophobicContact CD1-CE2 3.85Å; L164-F166 HydrophobicContact CD1-CZ 4.36Å; L164-F166 HydrophobicContact CG-CE2 4.37Å; F166-I170 HydrophobicContact CB-CB 4.23Å; F166-I170 HydrophobicContact CB-CG2 3.95Å; F166-I170 HydrophobicContact CD1-CB 4.4Å; F166-I170 HydrophobicContact CD1-CD1 3.77Å; F166-I170 HydrophobicContact CD1-CG2 3.7Å; F166-I170 HydrophobicContact CE1-CG2 4.48Å; F166-I170 HydrophobicContact CG-CG2 4.01Å; F166-I171 HydrophobicContact CB-CD1 4.1Å
167S76.5Confident74.5Confident60 Ų6076 Ų7642%0.4237%0.372SS..  trans-64.5154.1175.962.60000111.5E169 I170 I171S167-E169 PolarHBondContact O-N 3.12Å; S167-E169 VanDerWaalsContact O-N 3.12Å; S167-I170 WeakPolarHBondContact O-CA 3.42Å; S167-I170 WeakPolarHBondContact O-CB 3.23Å; S167-I170 PolarHBondContact O-N 3.41Å; S167-I171 PolarHBondContact O-N 3.21Å; S167-I171 VanDerWaalsContact O-N 3.12Å
168D81.6Confident74.2Confident90 Ų9074.3 Ų74.348%0.48136%0.362SS..Hα-helixtrans-54.8-32.7175.6-74.2-26.3000112.8R156 I170 I171 N172R156-D168 IonicContact CZ-OD1 3.21Å; R156-D168 IonicContact NE-OD1 2.88Å; R156-D168 PolarHBondContact NE-OD1 3.37Å; R156-D168 IonicContact NH2-OD1 2.71Å; R156-D168 PolarHBondContact NH2-OD1 3.08Å; D168-I170 VanDerWaalsContact C-N 3.3Å; D168-I170 PolarHBondContact O-N 2.98Å; D168-I171 PolarHBondContact O-N 3.37Å; D168-N172 VanDerWaalsContact O-CB 3.24Å; D168-N172 WeakPolarHBondContact O-CB 3.31Å; D168-N172 PolarHBondContact O-N 3.3Å; D168-N172 PolarHBondContact O-ND2 3.04Å; D168-N172 VanDerWaalsContact O-ND2 3.11Å
169E79.4Confident74.5Confident158 Ų15875 Ų7574%0.73837%0.367SS*.Hα-helixtrans-60.3-39.4174.2-170.8-179.4-171.800112.2S167 G173S167-E169 PolarHBondContact O-N 3.12Å; S167-E169 VanDerWaalsContact O-N 3.12Å; E169-G173 PolarHBondContact O-N 3.04Å
170I72.6Confident74.7Confident35 Ų3577.5 Ų77.518%0.17940%0.396CS..Hα-helixtrans-71.3-44.9177.6-69.1173.5000110.8K39 F166 S167 D168 N172 G173 I174K39-I170 HydrophobicContact CD-CG2 3.91Å; K39-I170 HydrophobicContact CG-CG2 4.47Å; F166-I170 HydrophobicContact CB-CB 4.23Å; F166-I170 HydrophobicContact CB-CG2 3.95Å; F166-I170 HydrophobicContact CD1-CB 4.4Å; F166-I170 HydrophobicContact CD1-CD1 3.77Å; F166-I170 HydrophobicContact CD1-CG2 3.7Å; F166-I170 HydrophobicContact CE1-CG2 4.48Å; F166-I170 HydrophobicContact CG-CG2 4.01Å; S167-I170 WeakPolarHBondContact O-CA 3.42Å; S167-I170 WeakPolarHBondContact O-CB 3.23Å; S167-I170 PolarHBondContact O-N 3.41Å; D168-I170 VanDerWaalsContact C-N 3.3Å; D168-I170 PolarHBondContact O-N 2.98Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.06Å; I170-G173 PolarHBondContact O-N 2.71Å; I170-I174 HydrophobicContact CG2-CD1 3.97Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.43Å
171I78.3Confident74.8Confident1 Ų172 Ų721%0.00538%0.38CS..Hα-helixtrans-60-45.9177-59-61.1000110.1K152 L155 R156 L159 F166 S167 D168 G173 I174 V175K152-I171 HydrophobicContact CB-CG2 3.99Å; K152-I171 HydrophobicContact CG-CG2 3.99Å; L155-I171 HydrophobicContact CB-CG2 4.5Å; L155-I171 HydrophobicContact CD1-CG2 4.37Å; R156-I171 HydrophobicContact CG-CD1 4.45Å; R156-I171 HydrophobicContact CG-CG1 4.18Å; L159-I171 HydrophobicContact CD1-CD1 3.32Å; F166-I171 HydrophobicContact CB-CD1 4.1Å; S167-I171 PolarHBondContact O-N 3.21Å; S167-I171 VanDerWaalsContact O-N 3.12Å; D168-I171 PolarHBondContact O-N 3.37Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 3.44Å; I171-I174 PolarHBondContact O-N 3.32Å; I171-V175 WeakPolarHBondContact O-CG2 3.26Å; I171-V175 PolarHBondContact O-N 3.43Å
172N81.3Confident74.7Confident64 Ų6471.1 Ų71.134%0.34238%0.382SS..Hα-helixtrans-60.3-41175.7-69.5-23.9000112K152 D168 I170 V175 K176K152-N172 WeakPolarHBondContact CD-OD1 3.14Å; K152-N172 WeakPolarHBondContact CE-OD1 3.47Å; K152-N172 PolarHBondContact NZ-OD1 3.03Å; D168-N172 VanDerWaalsContact O-CB 3.24Å; D168-N172 WeakPolarHBondContact O-CB 3.31Å; D168-N172 PolarHBondContact O-N 3.3Å; D168-N172 PolarHBondContact O-ND2 3.04Å; D168-N172 VanDerWaalsContact O-ND2 3.11Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.06Å; N172-V175 PolarHBondContact O-N 2.98Å; N172-K176 VanDerWaalsContact O-CB 3.3Å; N172-K176 WeakPolarHBondContact O-CB 3.46Å; N172-K176 PolarHBondContact O-N 3.45Å
173G78.1Confident74.8Confident37 Ų3773.9 Ų73.938%0.38140%0.4SS..Hα-helixtrans-60.4-44.417500000112.6E169 I170 I171 K176 E177E169-G173 PolarHBondContact O-N 3.04Å; I170-G173 PolarHBondContact O-N 2.71Å; I171-G173 VanDerWaalsContact C-N 3.31Å; I171-G173 PolarHBondContact O-N 3.44Å; G173-K176 PolarHBondContact O-N 2.98Å; G173-E177 WeakPolarHBondContact O-CB 3.44Å; G173-E177 PolarHBondContact O-N 3.41Å
174I73.4Confident75Confident44 Ų4469.1 Ų69.123%0.22638%0.38CS..Hα-helixtrans-63-49.7177.9-68.2165.9000110.7I170 I171 K176 E177 I178I170-I174 HydrophobicContact CG2-CD1 3.97Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.43Å; I171-I174 PolarHBondContact O-N 3.32Å; I174-K176 VanDerWaalsContact C-N 3.3Å; I174-K176 PolarHBondContact O-N 3.49Å; I174-E177 PolarHBondContact O-N 3.21Å; I174-I178 HydrophobicContact CG2-CD1 3.63Å; I174-I178 WeakPolarHBondContact O-CG1 3.4Å; I174-I178 PolarHBondContact O-N 3.21Å
175V80.1Confident75.6Confident2 Ų271.4 Ų71.41%0.01239%0.388CS..Hα-helixtrans-60.2-41.8179.8173.30000111.4K152 L155 I171 N172 I178 T179 N183 I186K152-V175 HydrophobicContact CG-CG2 4.05Å; L155-V175 HydrophobicContact CD1-CG2 3.73Å; I171-V175 WeakPolarHBondContact O-CG2 3.26Å; I171-V175 PolarHBondContact O-N 3.43Å; N172-V175 PolarHBondContact O-N 2.98Å; V175-I178 PolarHBondContact O-N 3.37Å; V175-T179 HydrophobicContact CG1-CG2 4.33Å; V175-T179 WeakPolarHBondContact O-CB 3.15Å; V175-T179 WeakPolarHBondContact O-CG2 3.14Å; V175-T179 PolarHBondContact O-N 2.97Å; V175-T179 PolarHBondContact O-OG1 2.97Å; V175-N183 WeakPolarHBondContact CG1-O 3.45Å; V175-I186 HydrophobicContact CG1-CG1 4.4Å; V175-I186 HydrophobicContact CG2-CD1 4.14Å; V175-I186 HydrophobicContact CG2-CG1 4.32Å
176K79Confident76.1Confident115 Ų11564.8 Ų64.850%0.535%0.353SS..Hα-helixtrans-66.6-38.5177.9-174.9173.4-176.9164.60112.6N172 G173 I174 I178 G180 S181 E182N172-K176 VanDerWaalsContact O-CB 3.3Å; N172-K176 WeakPolarHBondContact O-CB 3.46Å; N172-K176 PolarHBondContact O-N 3.45Å; G173-K176 PolarHBondContact O-N 2.98Å; I174-K176 VanDerWaalsContact C-N 3.3Å; I174-K176 PolarHBondContact O-N 3.49Å; K176-I178 VanDerWaalsContact C-N 3.34Å; K176-G180 WeakPolarHBondContact O-CA 3.42Å; K176-G180 PolarHBondContact O-N 2.97Å; K176-S181 WeakPolarHBondContact CA-O 3.18Å; K176-E182 IonicContact NZ-OE1 3.89Å
177E75.4Confident76.3Confident118 Ų11865.5 Ų65.555%0.55136%0.36SS*.Hα-helixtrans-66.2-38.3178.2-167.6175.4171.600111.5G173 I174 F194G173-E177 WeakPolarHBondContact O-CB 3.44Å; G173-E177 PolarHBondContact O-N 3.41Å; I174-E177 PolarHBondContact O-N 3.21Å; E177-F194 HydrophobicContact CG-CE2 3.81Å; E177-F194 HydrophobicContact CG-CZ 4.4Å
178I71.2Confident76.1Confident24 Ų2465.8 Ų65.812%0.12335%0.353CS..Hα-helixtrans-79.4-49.3-177.3-65.8167.1000111.9I174 V175 K176 I186 D190 L191 F194I174-I178 HydrophobicContact CG2-CD1 3.63Å; I174-I178 WeakPolarHBondContact O-CG1 3.4Å; I174-I178 PolarHBondContact O-N 3.21Å; V175-I178 PolarHBondContact O-N 3.37Å; K176-I178 VanDerWaalsContact C-N 3.34Å; I178-I186 HydrophobicContact CB-CD1 4.36Å; I178-I186 HydrophobicContact CD1-CD1 3.69Å; I178-I186 HydrophobicContact CG2-CD1 4.33Å; I178-I186 HydrophobicContact CG2-CG1 4.26Å; I178-I186 HydrophobicContact CG2-CG2 3.63Å; I178-D190 HydrophobicContact CG2-CB 3.97Å; I178-L191 HydrophobicContact CD1-CD1 3.95Å; I178-L191 HydrophobicContact CG2-CD1 4.27Å; I178-F194 HydrophobicContact CG1-CB 4.43Å; I178-F194 HydrophobicContact CG1-CD1 4.02Å; I178-F194 HydrophobicContact CG1-CD2 4.28Å; I178-F194 HydrophobicContact CG1-CE1 4.35Å; I178-F194 HydrophobicContact CG1-CG 3.97Å; I178-F194 HydrophobicContact CG2-CB 4.2Å
179T78.6Confident75.7Confident24 Ų2465.4 Ų65.415%0.14736%0.357CS..Hα-helixtrans-86.4-15.5-175.267.70000112.9V175 S181 F185 I186 D190V175-T179 HydrophobicContact CG1-CG2 4.33Å; V175-T179 WeakPolarHBondContact O-CB 3.15Å; V175-T179 WeakPolarHBondContact O-CG2 3.14Å; V175-T179 PolarHBondContact O-N 2.97Å; V175-T179 PolarHBondContact O-OG1 2.97Å; T179-S181 WeakPolarHBondContact CB-OG 3.3Å; T179-S181 PolarHBondContact O-N 2.9Å; T179-S181 PolarHBondContact OG1-N 3.33Å; T179-S181 PolarHBondContact OG1-O 2.72Å; T179-S181 PolarHBondContact OG1-OG 3.09Å; T179-F185 WeakPolarHBondContact CG2-O 3.29Å; T179-I186 HydrophobicContact CG2-CB 4.4Å; T179-I186 HydrophobicContact CG2-CG1 3.93Å; T179-D190 HydrophobicContact CG2-CB 4.2Å
180G75.1Confident75.5Confident67 Ų6760 Ų6069%0.69133%0.333SS*.SBendtrans633.4-166.500000113.7K176K176-G180 WeakPolarHBondContact O-CA 3.42Å; K176-G180 PolarHBondContact O-N 2.97Å
181S72.9Confident75.3Confident33 Ų3359.1 Ų59.123%0.23133%0.329CS..SBendtrans-122.7164.5-173.982.70000110.3K176 T179 N183K176-S181 WeakPolarHBondContact CA-O 3.18Å; T179-S181 WeakPolarHBondContact CB-OG 3.3Å; T179-S181 PolarHBondContact O-N 2.9Å; T179-S181 PolarHBondContact OG1-N 3.33Å; T179-S181 PolarHBondContact OG1-O 2.72Å; T179-S181 PolarHBondContact OG1-OG 3.09Å; S181-N183 VanDerWaalsContact OG-CB 3.26Å; S181-N183 WeakPolarHBondContact OG-CB 3.07Å; S181-N183 PolarHBondContact OG-N 3.41Å; S181-N183 VanDerWaalsContact OG-N 3.09Å
182E67.8Low74.8Confident152 Ų15261.1 Ų61.171%0.7134%0.339SS*.  trans-852.6169.3-62.7-171.8168.900112.1K176 N184K176-E182 IonicContact NZ-OE1 3.89Å; E182-N184 PolarHBondContact O-N 3.2Å
183N63.8Low74.1Confident112 Ų11264.1 Ų64.160%0.59935%0.349SS*.  trans-65.1134.7-176-61.4-15.5000109.5V175 S181 F185V175-N183 WeakPolarHBondContact CG1-O 3.45Å; S181-N183 VanDerWaalsContact OG-CB 3.26Å; S181-N183 WeakPolarHBondContact OG-CB 3.07Å; S181-N183 PolarHBondContact OG-N 3.41Å; S181-N183 VanDerWaalsContact OG-N 3.09Å; N183-F185 PolarHBondContact O-N 3.44Å
184N74.3Confident73.6Confident83 Ų8364.2 Ų64.244%0.44434%0.339SS..SBendtrans-7110.4-169.3-75.2-18000115.1K152 E182K152-N184 WeakPolarHBondContact CE-OD1 3.4Å; K152-N184 PolarHBondContact N-O 3.39Å; K152-N184 PolarHBondContact NZ-OD1 3.17Å; E182-N184 PolarHBondContact O-N 3.2Å
185F81.4Confident72.8Confident100 Ų10063.4 Ų63.444%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-136.5126.8-169.6-61-76.1000110.7A149 L150 T179 N183A149-F185 HydrophobicContact CB-CB 4.06Å; A149-F185 HydrophobicContact CB-CD1 4.13Å; A149-F185 HydrophobicContact CB-CG 4.45Å; L150-F185 WeakPolarHBondContact O-CA 3.38Å; T179-F185 WeakPolarHBondContact CG2-O 3.29Å; N183-F185 PolarHBondContact O-N 3.44Å
186I81.3Confident71.7Confident1 Ų168.4 Ų68.41%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-95.1118.2170.7-60.6169.4000107.6L150 L155 V175 I178 T179 D190 L191L150-I186 HydrophobicContact CB-CB 4.14Å; L150-I186 PolarHBondContact N-O 2.9Å; L150-I186 PolarHBondContact O-N 3.22Å; L155-I186 HydrophobicContact CD1-CD1 3.78Å; V175-I186 HydrophobicContact CG1-CG1 4.4Å; V175-I186 HydrophobicContact CG2-CD1 4.14Å; V175-I186 HydrophobicContact CG2-CG1 4.32Å; I178-I186 HydrophobicContact CB-CD1 4.36Å; I178-I186 HydrophobicContact CD1-CD1 3.69Å; I178-I186 HydrophobicContact CG2-CD1 4.33Å; I178-I186 HydrophobicContact CG2-CG1 4.26Å; I178-I186 HydrophobicContact CG2-CG2 3.63Å; T179-I186 HydrophobicContact CG2-CB 4.4Å; T179-I186 HydrophobicContact CG2-CG1 3.93Å; I186-D190 HydrophobicContact CG2-CB 4.18Å; I186-L191 HydrophobicContact CG2-CB 3.83Å; I186-L191 HydrophobicContact CG2-CD1 4.4Å
187T81Confident70.7Confident56 Ų5668.4 Ų68.434%0.34437%0.366SS..EExtended strand (participates in β ladder)trans-82.1162.817268.80000110.9S189 D190 L191T187-S189 PolarHBondContact O-N 2.94Å; T187-S189 PolarHBondContact OG1-N 3.35Å; T187-D190 WeakPolarHBondContact CB-OD2 3.17Å; T187-D190 PolarHBondContact N-OD2 3.2Å; T187-D190 PolarHBondContact O-N 3.11Å; T187-D190 VanDerWaalsContact O-N 3.11Å; T187-D190 PolarHBondContact OG1-N 2.84Å; T187-D190 PolarHBondContact OG1-OD2 2.84Å; T187-L191 PolarHBondContact O-N 3.34Å; T187-L191 VanDerWaalsContact O-N 3.11Å
188Y72.2Confident69.9Low65 Ų6564.7 Ų64.726%0.25535%0.353SS..Hα-helixtrans-50.6-41.3170.6-177.9-91.5000112D132 F135 E136 F139 L191 L192D132-Y188 WeakPolarHBondContact CA-OH 3.36Å; D132-Y188 PolarHBondContact O-OH 3.35Å; D132-Y188 PolarHBondContact OD1-OH 3.49Å; F135-Y188 HydrophobicContact CB-CE2 4.02Å; E136-Y188 HydrophobicContact CG-CE2 4Å; F139-Y188 HydrophobicContact CB-CD2 4.41Å; F139-Y188 HydrophobicContact CD2-CD2 4.26Å; F139-Y188 HydrophobicContact CG-CD2 4.31Å; Y188-L191 PolarHBondContact O-N 3.28Å; Y188-L192 HydrophobicContact CE1-CD1 3.74Å; Y188-L192 VanDerWaalsContact O-CB 3.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.34Å; Y188-L192 PolarHBondContact O-N 3.35Å
189S72.4Confident68.7Low82 Ų8266.9 Ų66.957%0.57338%0.381SS*.Hα-helixtrans-66.2-40.1179.5-64.50000112.8T187 K193T187-S189 PolarHBondContact O-N 2.94Å; T187-S189 PolarHBondContact OG1-N 3.35Å; S189-K193 WeakPolarHBondContact O-CB 3.32Å; S189-K193 PolarHBondContact O-N 2.72Å
190D74.6Confident67.2Low44 Ų4470.7 Ų70.724%0.23540%0.396CS..Hα-helixtrans-64.7-45.7178.5-58.8-47.8000110.9I178 T179 I186 T187 F194I178-D190 HydrophobicContact CG2-CB 3.97Å; T179-D190 HydrophobicContact CG2-CB 4.2Å; I186-D190 HydrophobicContact CG2-CB 4.18Å; T187-D190 WeakPolarHBondContact CB-OD2 3.17Å; T187-D190 PolarHBondContact N-OD2 3.2Å; T187-D190 PolarHBondContact O-N 3.11Å; T187-D190 VanDerWaalsContact O-N 3.11Å; T187-D190 PolarHBondContact OG1-N 2.84Å; T187-D190 PolarHBondContact OG1-OD2 2.84Å; D190-F194 WeakPolarHBondContact O-CB 3.41Å; D190-F194 PolarHBondContact O-N 2.97Å
191L69.9Low65.6Low18 Ų1873.8 Ų73.89%0.09440%0.397CS..Hα-helixtrans-67.2-44-178.9-167.662.8000111.9F135 F139 L150 I178 I186 T187 Y188 F194 I195F135-L191 HydrophobicContact CD1-CD2 4.26Å; F135-L191 HydrophobicContact CE1-CD2 3.61Å; F135-L191 HydrophobicContact CE1-CG 3.75Å; F139-L191 HydrophobicContact CD2-CD2 4.25Å; L150-L191 HydrophobicContact CD1-CD2 4.13Å; I178-L191 HydrophobicContact CD1-CD1 3.95Å; I178-L191 HydrophobicContact CG2-CD1 4.27Å; I186-L191 HydrophobicContact CG2-CB 3.83Å; I186-L191 HydrophobicContact CG2-CD1 4.4Å; T187-L191 PolarHBondContact O-N 3.34Å; T187-L191 VanDerWaalsContact O-N 3.11Å; Y188-L191 PolarHBondContact O-N 3.28Å; L191-F194 PolarHBondContact O-N 3.49Å; L191-I195 HydrophobicContact CG-CD1 4.31Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.03Å; L191-I195 PolarHBondContact O-N 2.71Å; L191-I195 VanDerWaalsContact O-N 3.16Å
192L66.6Low64.1Low42 Ų4274.5 Ų74.522%0.2240%0.396CS..Hα-helixtrans-63.6-45.3177.8-176132.2000111.4D132 Y188 F194 I195 I196D132-L192 WeakPolarHBondContact OD1-CD1 3.28Å; Y188-L192 HydrophobicContact CE1-CD1 3.74Å; Y188-L192 VanDerWaalsContact O-CB 3.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.34Å; Y188-L192 PolarHBondContact O-N 3.35Å; L192-F194 PolarHBondContact O-N 3.42Å; L192-I195 PolarHBondContact O-N 3.12Å; L192-I196 HydrophobicContact CD2-CD1 3.48Å; L192-I196 VanDerWaalsContact CD2-CD1 3.48Å; L192-I196 HydrophobicContact CG-CD1 4.05Å; L192-I196 WeakPolarHBondContact O-CG1 2.79Å; L192-I196 PolarHBondContact O-N 2.93Å
193K67.4Low62.6Low127 Ų12768.5 Ų68.555%0.55237%0.37SS*.Hα-helixtrans-59.3-48.5175.9-177.9-176.3175.6-170.90111.5S189 I195 I196 D197S189-K193 WeakPolarHBondContact O-CB 3.32Å; S189-K193 PolarHBondContact O-N 2.72Å; K193-I195 PolarHBondContact O-N 2.88Å; K193-I196 PolarHBondContact O-N 3.36Å; K193-D197 WeakPolarHBondContact CE-OD2 3.47Å; K193-D197 WeakPolarHBondContact CG-OD2 3.45Å; K193-D197 VanDerWaalsContact O-CB 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.49Å; K193-D197 PolarHBondContact O-N 3.12Å
194F66.6Low61.2Low40 Ų4063.8 Ų63.818%0.17534%0.344CS..Hα-helixtrans-55.3-37.9178.3174.4-103.4000112.2W40 E177 I178 D190 L191 L192 S198W40-F194 HydrophobicContact CH2-CE1 4.03Å; W40-F194 HydrophobicContact CZ2-CE1 4.07Å; W40-F194 HydrophobicContact CZ2-CZ 4.17Å; E177-F194 HydrophobicContact CG-CE2 3.81Å; E177-F194 HydrophobicContact CG-CZ 4.4Å; I178-F194 HydrophobicContact CG1-CB 4.43Å; I178-F194 HydrophobicContact CG1-CD1 4.02Å; I178-F194 HydrophobicContact CG1-CD2 4.28Å; I178-F194 HydrophobicContact CG1-CE1 4.35Å; I178-F194 HydrophobicContact CG1-CG 3.97Å; I178-F194 HydrophobicContact CG2-CB 4.2Å; D190-F194 WeakPolarHBondContact O-CB 3.41Å; D190-F194 PolarHBondContact O-N 2.97Å; L191-F194 PolarHBondContact O-N 3.49Å; L192-F194 PolarHBondContact O-N 3.42Å; F194-S198 WeakPolarHBondContact O-CB 3.44Å; F194-S198 PolarHBondContact O-N 2.88Å
195I57Low59.1Low27 Ų2763.4 Ų63.414%0.13835%0.345CS..Hα-helixtrans-75.2-44.3-177.6-72.7172.4000111.9F135 L191 L192 K193 S198 F202F135-I195 HydrophobicContact CE1-CD1 3.43Å; F135-I195 VanDerWaalsContact CE1-CD1 3.43Å; F135-I195 HydrophobicContact CE2-CD1 3.5Å; F135-I195 VanDerWaalsContact CE2-CD1 3.5Å; F135-I195 HydrophobicContact CE2-CG2 4.49Å; F135-I195 HydrophobicContact CZ-CD1 2.84Å; F135-I195 HydrophobicContact CZ-CG1 4.3Å; L191-I195 HydrophobicContact CG-CD1 4.31Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.03Å; L191-I195 PolarHBondContact O-N 2.71Å; L191-I195 VanDerWaalsContact O-N 3.16Å; L192-I195 PolarHBondContact O-N 3.12Å; K193-I195 PolarHBondContact O-N 2.88Å; I195-S198 PolarHBondContact O-N 2.9Å; I195-S198 PolarHBondContact O-OG 3.3Å; I195-F202 HydrophobicContact CG2-CD2 3.67Å; I195-F202 HydrophobicContact CG2-CE2 3.94Å
196I56.6Low56.9Low107 Ų10764.4 Ų64.455%0.54935%0.351SS..Hα-helixtrans-59.9-49173.5-66.8172.6000110.1L192 K193 S198 G199L192-I196 HydrophobicContact CD2-CD1 3.48Å; L192-I196 VanDerWaalsContact CD2-CD1 3.48Å; L192-I196 HydrophobicContact CG-CD1 4.05Å; L192-I196 WeakPolarHBondContact O-CG1 2.79Å; L192-I196 PolarHBondContact O-N 2.93Å; K193-I196 PolarHBondContact O-N 3.36Å; I196-S198 PolarHBondContact O-N 3.17Å; I196-G199 PolarHBondContact O-N 3.34Å; I196-G199 VanDerWaalsContact O-N 3.13Å
197D58.9Low54.7Low115 Ų11565.2 Ų65.262%0.61536%0.355SS*.Hα-helixtrans-64.8-26.8-178.6-74.4-10.1000112.3K193 G199K193-D197 WeakPolarHBondContact CE-OD2 3.47Å; K193-D197 WeakPolarHBondContact CG-OD2 3.45Å; K193-D197 VanDerWaalsContact O-CB 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.49Å; K193-D197 PolarHBondContact O-N 3.12Å; D197-G199 PolarHBondContact O-N 2.85Å
198S58.5Low52.4Low39 Ų3965.7 Ų65.727%0.27336%0.356SS..THydrogen-bonded Turntrans-67-13.5177.778.20000113.6F194 I195 I196 K200F194-S198 WeakPolarHBondContact O-CB 3.44Å; F194-S198 PolarHBondContact O-N 2.88Å; I195-S198 PolarHBondContact O-N 2.9Å; I195-S198 PolarHBondContact O-OG 3.3Å; I196-S198 PolarHBondContact O-N 3.17Å; S198-K200 PolarHBondContact O-N 2.93Å
199G45Very low50.4Low70 Ų7069.1 Ų69.172%0.72238%0.378SS*.THydrogen-bonded Turntrans58.911.5177.500000114.1I196 D197I196-G199 PolarHBondContact O-N 3.34Å; I196-G199 VanDerWaalsContact O-N 3.13Å; D197-G199 PolarHBondContact O-N 2.85Å
200K47.3Very low48.2Very low104 Ų10470.7 Ų70.745%0.45238%0.38SS..  trans-83118.1174.9-69.3178.5-174.7170.90106.8S198 F202S198-K200 PolarHBondContact O-N 2.93Å; K200-F202 HydrophobicContact CB-CD2 3.95Å; K200-F202 HydrophobicContact CB-CE1 4.42Å; K200-F202 HydrophobicContact CB-CE2 3.59Å; K200-F202 HydrophobicContact CB-CZ 3.85Å; K200-F202 HydrophobicContact CD-CE1 4.35Å; K200-F202 HydrophobicContact CD-CE2 4.23Å; K200-F202 HydrophobicContact CD-CZ 3.73Å; K200-F202 HydrophobicContact CG-CE2 4.5Å; K200-F202 HydrophobicContact CG-CZ 4.44Å; K200-F202 VanDerWaalsContact O-CD2 3.26Å; K200-F202 WeakPolarHBondContact O-CD2 3.24Å; K200-F202 PolarHBondContact O-N 2.95Å
201D41.5Very low46.1Very low133 Ų13373.5 Ų73.571%0.71140%0.401SS*.  trans-57.491159.9-93.3-37.8000107.6T203D201-T203 PolarHBondContact O-N 3.49Å
202F42.8Very low44.3Very low48 Ų4883.2 Ų83.221%0.21145%0.452CS..  trans-78.764.3163.5-69.2-72.9000106.6W40 I195 K200 I204 I207W40-F202 HydrophobicContact CE3-CZ 4.45Å; W40-F202 AromaticContact CH2-CZ 3.72Å; W40-F202 HydrophobicContact CH2-CZ 3.72Å; W40-F202 AromaticContact CZ3-CE1 3.81Å; W40-F202 HydrophobicContact CZ3-CE1 3.81Å; W40-F202 AromaticContact CZ3-CZ 3.42Å; W40-F202 HydrophobicContact CZ3-CZ 3.42Å; W40-F202 VanDerWaalsContact CZ3-CZ 3.42Å; I195-F202 HydrophobicContact CG2-CD2 3.67Å; I195-F202 HydrophobicContact CG2-CE2 3.94Å; K200-F202 HydrophobicContact CB-CD2 3.95Å; K200-F202 HydrophobicContact CB-CE1 4.42Å; K200-F202 HydrophobicContact CB-CE2 3.59Å; K200-F202 HydrophobicContact CB-CZ 3.85Å; K200-F202 HydrophobicContact CD-CE1 4.35Å; K200-F202 HydrophobicContact CD-CE2 4.23Å; K200-F202 HydrophobicContact CD-CZ 3.73Å; K200-F202 HydrophobicContact CG-CE2 4.5Å; K200-F202 HydrophobicContact CG-CZ 4.44Å; K200-F202 VanDerWaalsContact O-CD2 3.26Å; K200-F202 WeakPolarHBondContact O-CD2 3.24Å; K200-F202 PolarHBondContact O-N 2.95Å; F202-I204 PolarHBondContact O-N 3.24Å; F202-I204 VanDerWaalsContact O-N 3.12Å; F202-I207 HydrophobicContact CB-CD1 3.9Å; F202-I207 HydrophobicContact CD1-CD1 3.52Å; F202-I207 HydrophobicContact CD1-CG1 3.99Å; F202-I207 HydrophobicContact CG-CD1 4.16Å
203T36.2Very low43.1Very low26 Ų2685.3 Ų85.316%0.1646%0.463CS..  trans-66.8117.215465.60000105.2Y127 D201 T205 E206 I207Y127-T203 HydrophobicContact CE1-CG2 4.24Å; D201-T203 PolarHBondContact O-N 3.49Å; T203-T205 WeakPolarHBondContact CB-OG1 3.47Å; T203-T205 PolarHBondContact O-N 3.27Å; T203-T205 PolarHBondContact OG1-OG1 3.07Å; T203-E206 PolarHBondContact O-N 3.31Å; T203-E206 WeakPolarHBondContact OG1-CB 3.39Å; T203-E206 VanDerWaalsContact OG1-CD 3.27Å; T203-E206 VanDerWaalsContact OG1-CG 3.31Å; T203-E206 WeakPolarHBondContact OG1-CG 3.29Å; T203-E206 PolarHBondContact OG1-N 3.15Å; T203-E206 PolarHBondContact OG1-OE2 3.44Å; T203-I207 PolarHBondContact O-N 3.43Å
204I34.5Very low41.9Very low12 Ų1283.1 Ų83.16%0.06246%0.459CS..Hα-helixtrans-37.5-37.9168.6-88140.1000111.6V47 S51 D134 F202 I207 L208V47-I204 HydrophobicContact CG1-CG1 4.22Å; S51-I204 VanDerWaalsContact CB-CG1 3.45Å; S51-I204 WeakPolarHBondContact OG-CG2 2.92Å; D134-I204 HydrophobicContact CB-CD1 3.95Å; D134-I204 WeakPolarHBondContact OD2-CD1 3.31Å; F202-I204 PolarHBondContact O-N 3.24Å; F202-I204 VanDerWaalsContact O-N 3.12Å; I204-I207 WeakPolarHBondContact O-CB 3.46Å; I204-I207 PolarHBondContact O-N 3.25Å; I204-L208 HydrophobicContact CG2-CD1 3.56Å; I204-L208 HydrophobicContact CG2-CG 4.39Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 VanDerWaalsContact O-CD1 3.24Å; I204-L208 WeakPolarHBondContact O-CD1 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.29Å; I204-L208 PolarHBondContact O-N 3.3Å
205T30Very low40.5Very low75 Ų7585.5 Ų85.546%0.4647%0.474SS..Hα-helixtrans-67.6-37177410000116.2T203 L208 N209T203-T205 WeakPolarHBondContact CB-OG1 3.47Å; T203-T205 PolarHBondContact O-N 3.27Å; T203-T205 PolarHBondContact OG1-OG1 3.07Å; T205-L208 WeakPolarHBondContact O-CB 3.45Å; T205-L208 PolarHBondContact O-N 2.98Å; T205-N209 WeakPolarHBondContact O-CB 3.45Å; T205-N209 PolarHBondContact O-N 3.08Å
206E33.6Very low39.5Very low121 Ų12188.9 Ų88.957%0.56549%0.494SS*.Hα-helixtrans-76.5-26.9175.8-77.3163.7151.400112.3R44 T203 L208R44-E206 PolarHBondContact NH2-O 2.92Å; T203-E206 PolarHBondContact O-N 3.31Å; T203-E206 WeakPolarHBondContact OG1-CB 3.39Å; T203-E206 VanDerWaalsContact OG1-CD 3.27Å; T203-E206 VanDerWaalsContact OG1-CG 3.31Å; T203-E206 WeakPolarHBondContact OG1-CG 3.29Å; T203-E206 PolarHBondContact OG1-N 3.15Å; T203-E206 PolarHBondContact OG1-OE2 3.44Å; E206-L208 VanDerWaalsContact C-N 3.31Å
207I36.1Very low38.5Very low18 Ų1887.8 Ų87.89%0.09249%0.491CS..Hα-helixtrans-64.5-39167-59.8173.4000110R44 V47 F202 T203 I204R44-I207 HydrophobicContact CB-CG2 4.3Å; R44-I207 HydrophobicContact CG-CB 4.49Å; R44-I207 HydrophobicContact CG-CG2 3.38Å; R44-I207 VanDerWaalsContact CZ-O 3.3Å; R44-I207 PolarHBondContact NE-O 3.3Å; R44-I207 PolarHBondContact NH2-O 2.96Å; V47-I207 HydrophobicContact CG1-CD1 3.97Å; F202-I207 HydrophobicContact CB-CD1 3.9Å; F202-I207 HydrophobicContact CD1-CD1 3.52Å; F202-I207 HydrophobicContact CD1-CG1 3.99Å; F202-I207 HydrophobicContact CG-CD1 4.16Å; T203-I207 PolarHBondContact O-N 3.43Å; I204-I207 WeakPolarHBondContact O-CB 3.46Å; I204-I207 PolarHBondContact O-N 3.25Å
208L33.4Very low37.1Very low67 Ų6786 Ų8635%0.35148%0.482SS..Hα-helixtrans-76.7-37.1-177.3-70.9166000114.8T48 I204 T205 E206T48-L208 HydrophobicContact CG2-CD2 3.23Å; I204-L208 HydrophobicContact CG2-CD1 3.56Å; I204-L208 HydrophobicContact CG2-CG 4.39Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 VanDerWaalsContact O-CD1 3.24Å; I204-L208 WeakPolarHBondContact O-CD1 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.29Å; I204-L208 PolarHBondContact O-N 3.3Å; T205-L208 WeakPolarHBondContact O-CB 3.45Å; T205-L208 PolarHBondContact O-N 2.98Å; E206-L208 VanDerWaalsContact C-N 3.31Å
209N29.4Very low35.6Very low137 Ų13789.4 Ų89.473%0.73350%0.497SS*.SBendtrans-93.57.5-164.5-86.3-10.5000116.6T205 P211T205-N209 WeakPolarHBondContact O-CB 3.45Å; T205-N209 PolarHBondContact O-N 3.08Å; N209-P211 WeakPolarHBondContact O-CD 3.25Å
210N27.1Very low34.8Very low115 Ų11590.8 Ų90.862%0.61548%0.48SS*.  trans-112.971.2169.4-153.56.1000110.5L212N210-L212 PolarHBondContact O-N 3.41Å
211P30Very low33.8Very low103 Ų10389.8 Ų89.867%0.66948%0.483SS*.  trans-67.2120.8166.130.2-29.2000107N209N209-P211 WeakPolarHBondContact O-CD 3.25Å
212L31Very low33.1Very low222 Ų22285.8 Ų85.8100%1.16246%0.462SS*.  trans-56.90155.5-78.1167.9000109.4N210N210-L212 PolarHBondContact O-N 3.41Å

Retrieved 212 of 212 residues in 126.1 ms (Link to these results)