A0A5K4F283_SCHMA Loading...

Large ribosomal subunit protein mL51

AlphaFold DB , UniProt , Accession A0A5K4F283, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 207 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
1M39Very low35.4Very low241 Ų241168 Ų168100%1.18786%0.864SS**  0120.20-72.5164.689.600109.2
2K41.4Very low35.2Very low208 Ų208168.2 Ų168.290%0.90487%0.866SS**  trans175.598.9143.5-94.9177-170.5-172.30105.9
3K34.8Very low35.2Very low190 Ų190163.5 Ų163.583%0.82686%0.858SS**  trans-69.8136.6174.7-75.9172.2172.3175.50108.3
4C37Very low34.9Very low131 Ų131162 Ų16289%0.88586%0.859SS**  trans-122.5100157.9-70.80000107.3
5N35.1Very low34.9Very low128 Ų128156.3 Ų156.368%0.68484%0.837SS**  trans-79.6152.4173-74.3-20.7000110.4
6N33.4Very low34.8Very low148 Ų148153.3 Ų153.379%0.79183%0.832SS**  trans59.3121.5156.4-68.3-11.6000118.1
7L36.1Very low34.7Very low167 Ų167154.5 Ų154.587%0.87483%0.828SS**  trans-165.5113.5130.2-95.6163.1000109
8F34Very low34.5Very low187 Ų187158.1 Ų158.182%0.8283%0.829SS**  trans12.6123.5159.4-72.9-93.4000121I10F8-I10 PolarHBondContact O-N 2.8Å
9L28.2Very low34.7Very low182 Ų182154.7 Ų154.795%0.95382%0.818SS**  trans-66.5116.2158.6-77.4154000109.5
10I36.2Very low35.1Very low152 Ų152153.1 Ų153.178%0.77982%0.82SS**  trans-110.3120.5163.9-63.3174.4000107.1F8F8-I10 PolarHBondContact O-N 2.8Å
11S33.9Very low35.5Very low114 Ų114149.2 Ų149.280%0.79780%0.799SS**  trans-63.7128.2176.241.90000110.9S13S11-S13 PolarHBondContact O-N 3.01Å
12L32.9Very low36.1Very low170 Ų170144.3 Ų144.389%0.8978%0.777SS**  trans-83.3108.2168.2-83.6123.5000108.8
13S36Very low36.8Very low108 Ų108141.9 Ų141.976%0.75577%0.767SS**  trans-79.7119.5162.557.20000109S11 S15S11-S13 PolarHBondContact O-N 3.01Å; S13-S15 PolarHBondContact O-N 2.98Å; S13-S15 VanDerWaalsContact O-N 3.08Å
14T30.8Very low37.9Very low142 Ų142139.3 Ų139.387%0.87176%0.756SS**  trans-7689.9171.549.60000109
15S34.5Very low38.9Very low77 Ų77138.7 Ų138.754%0.53874%0.74SS.*  trans-94.791.6171.1174.60000110.1S13 K17S13-S15 PolarHBondContact O-N 2.98Å; S13-S15 VanDerWaalsContact O-N 3.08Å; S15-K17 PolarHBondContact O-N 3.16Å; S15-K17 VanDerWaalsContact O-N 3.07Å; S15-K17 WeakPolarHBondContact OG-CD 3.31Å; S15-K17 WeakPolarHBondContact OG-CG 3.27Å
16S33.2Very low40.2Very low108 Ų108135.3 Ų135.376%0.75572%0.717SS**  trans-64.699.5157.7163.80000108.8
17K32.6Very low41.8Very low174 Ų174134.9 Ų134.976%0.75771%0.711SS**  trans-13585.5168.3-74.3-178.4-174.1179.50108.7S15 P19S15-K17 PolarHBondContact O-N 3.16Å; S15-K17 VanDerWaalsContact O-N 3.07Å; S15-K17 WeakPolarHBondContact OG-CD 3.31Å; S15-K17 WeakPolarHBondContact OG-CG 3.27Å; K17-P19 WeakPolarHBondContact O-CD 3.34Å
18Y32Very low43.4Very low218 Ų218135.9 Ų135.986%0.85571%0.708SS**  trans-69.8115.4151.1-70.4-79.9000106.5S20Y18-S20 PolarHBondContact O-N 3.1Å
19P38.5Very low45Very low94 Ų94128.7 Ų128.761%0.6168%0.678SS**  trans-79.4122.3179.532.7-30.8000108.2K17 N21K17-P19 WeakPolarHBondContact O-CD 3.34Å; P19-N21 HydrophobicContact CB-CB 4.04Å; P19-N21 HydrophobicContact CG-CB 4.46Å; P19-N21 PolarHBondContact O-N 3.22Å
20S41.5Very low47Very low123 Ų123123.6 Ų123.686%0.8667%0.669SS**  trans-6677.9162.462.70000108.7Y18Y18-S20 PolarHBondContact O-N 3.1Å
21N43.8Very low48.4Very low72 Ų72116.8 Ų116.839%0.38564%0.635SS.*  trans-128.135.5-169.7-106.4-14.5000113.5P19 K23 K24P19-N21 HydrophobicContact CB-CB 4.04Å; P19-N21 HydrophobicContact CG-CB 4.46Å; P19-N21 PolarHBondContact O-N 3.22Å; N21-K23 PolarHBondContact O-N 3.22Å; N21-K24 PolarHBondContact O-N 2.88Å
22N52.9Low50Low137 Ų137115.9 Ų115.973%0.73362%0.621SS**Hα-helixtrans-62.6-23.7171-80.7-6.9000112.7K24 H25N22-K24 PolarHBondContact O-N 3.28Å; N22-H25 PolarHBondContact O-N 3.19Å
23K55Low51.4Low158 Ų158109.2 Ų109.269%0.68759%0.587SS**Hα-helixtrans-64-36.8177.4-74.1-167.7177.4-165.90113.9N21 H25 W26 E27N21-K23 PolarHBondContact O-N 3.22Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-H25 PolarHBondContact O-N 3Å; K23-W26 PolarHBondContact O-N 3.26Å; K23-E27 PolarHBondContact O-N 3.36Å
24K58.2Low52.5Low135 Ų135109.4 Ų109.459%0.58758%0.58SS**Hα-helixtrans-68.6-25.2-177.5-70.8-168.7178-169.60114N21 N22N21-K24 PolarHBondContact O-N 2.88Å; N22-K24 PolarHBondContact O-N 3.28Å
25H59.1Low54.2Low119 Ų119110 Ų11055%0.55157%0.573SS**Hα-helixtrans-70.9-37.9179.6-17661.4000111.7N22 K23N22-H25 PolarHBondContact O-N 3.19Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-H25 PolarHBondContact O-N 3Å
26W61.5Low55.4Low56 Ų56113.7 Ų113.721%0.21258%0.58CS.*Hα-helixtrans-75.2-35.3-177.9-61.8110.4000113.1K23 K28 L29 G30 V31 P33 I54 V56K23-W26 PolarHBondContact O-N 3.26Å; W26-K28 VanDerWaalsContact C-N 3.34Å; W26-K28 PolarHBondContact O-N 3.33Å; W26-L29 PolarHBondContact O-N 3.29Å; W26-L29 VanDerWaalsContact O-N 3.11Å; W26-G30 PolarHBondContact O-N 3.31Å; W26-V31 CarbonylContact C-O 3.52Å; W26-V31 WeakPolarHBondContact CB-O 3.4Å; W26-V31 HydrophobicContact CE3-CB 4.15Å; W26-V31 HydrophobicContact CE3-CG1 4.03Å; W26-V31 HydrophobicContact CZ3-CG1 4.38Å; W26-V31 PolarHBondContact O-N 3.39Å; W26-V31 VanDerWaalsContact O-N 3.1Å; W26-P33 HydrophobicContact CG-CG 4.3Å; W26-I54 HydrophobicContact CH2-CG2 3.85Å; W26-I54 HydrophobicContact CZ3-CG2 3.58Å; W26-V56 HydrophobicContact CZ3-CG2 4.42Å
27E67.5Low56.7Low140 Ų140111.4 Ų111.465%0.65456%0.562SS**Hα-helixtrans-62.1-38.3175.1-75178.4170.500112.5K23 L29 G30K23-E27 PolarHBondContact O-N 3.36Å; E27-L29 PolarHBondContact O-N 3.41Å; E27-G30 PolarHBondContact O-N 3.28Å; E27-G30 VanDerWaalsContact O-N 3.13Å
28K70Confident58Low187 Ų187104.7 Ų104.781%0.81354%0.542SS*.Hα-helixtrans-63.8-23.9176.4-169.8175.7179.8-173.80112.7W26W26-K28 VanDerWaalsContact C-N 3.34Å; W26-K28 PolarHBondContact O-N 3.33Å
29L66.5Low59.3Low37 Ų37100.7 Ų100.719%0.19453%0.53CS..THydrogen-bonded Turntrans-96.7-0.5-178.9-59.8168.1000112.3W26 E27 V31 Y43 I54W26-L29 PolarHBondContact O-N 3.29Å; W26-L29 VanDerWaalsContact O-N 3.11Å; E27-L29 PolarHBondContact O-N 3.41Å; L29-V31 HydrophobicContact CB-CG2 4.12Å; L29-V31 PolarHBondContact O-N 3.29Å; L29-Y43 HydrophobicContact CD2-CD2 3.87Å; L29-Y43 HydrophobicContact CD2-CE2 3.4Å; L29-Y43 VanDerWaalsContact CD2-CE2 3.4Å; L29-I54 HydrophobicContact CB-CD1 4.47Å; L29-I54 HydrophobicContact CD1-CD1 3.78Å
30G71Confident60.5Low74 Ų7498.3 Ų98.376%0.76352%0.515SS*.THydrogen-bonded Turntrans65.719.7-175.400000113.6W26 E27W26-G30 PolarHBondContact O-N 3.31Å; E27-G30 PolarHBondContact O-N 3.28Å; E27-G30 VanDerWaalsContact O-N 3.13Å
31V65.6Low61.5Low10 Ų1094.7 Ų94.76%0.06149%0.488CS..  trans-106118.5-176-179.60000108.9W26 L29 P33 I54 V56W26-V31 CarbonylContact C-O 3.52Å; W26-V31 WeakPolarHBondContact CB-O 3.4Å; W26-V31 HydrophobicContact CE3-CB 4.15Å; W26-V31 HydrophobicContact CE3-CG1 4.03Å; W26-V31 HydrophobicContact CZ3-CG1 4.38Å; W26-V31 PolarHBondContact O-N 3.39Å; W26-V31 VanDerWaalsContact O-N 3.1Å; L29-V31 HydrophobicContact CB-CG2 4.12Å; L29-V31 PolarHBondContact O-N 3.29Å; V31-P33 WeakPolarHBondContact O-CD 3.26Å; V31-I54 HydrophobicContact CG2-CD1 4.48Å; V31-V56 HydrophobicContact CG1-CG2 3.97Å
32N67Low62.4Low95 Ų9595.9 Ų95.951%0.50850%0.498SS..  trans-97101.9169-95.5-34.4000109.4D34 Q35N32-D34 PolarHBondContact O-N 2.92Å; N32-D34 VanDerWaalsContact O-N 3.13Å; N32-Q35 HydrophobicContact CB-CB 4.36Å; N32-Q35 HydrophobicContact CB-CG 4.33Å; N32-Q35 PolarHBondContact O-N 3.34Å
33P61.6Low63Low29 Ų2991.5 Ų91.519%0.18847%0.472CS..THydrogen-bonded Turntrans-64.9-18.4-176.327.1-35000113.3W26 V31 V56W26-P33 HydrophobicContact CG-CG 4.3Å; V31-P33 WeakPolarHBondContact O-CD 3.26Å; P33-V56 HydrophobicContact CB-CG1 3.64Å
34D60.8Low63.3Low113 Ų11392.4 Ų92.460%0.60447%0.471SS*.THydrogen-bonded Turntrans-87.4-15.7-175.6-59.4-23.8000113.4N32N32-D34 PolarHBondContact O-N 2.92Å; N32-D34 VanDerWaalsContact O-N 3.13Å
35Q64.9Low63.5Low154 Ų15489.4 Ų89.472%0.7246%0.459SS*.THydrogen-bonded Turntrans-80.3-33.7-177-91.4-179-22.500113.7N32N32-Q35 HydrophobicContact CB-CB 4.36Å; N32-Q35 HydrophobicContact CB-CG 4.33Å; N32-Q35 PolarHBondContact O-N 3.34Å
36K59.9Low63.9Low155 Ų15591 Ų9167%0.67448%0.476SS*.SBendtrans-151.284-179.9-69.4-172.9-178.4176.40111.1G38 F39K36-G38 PolarHBondContact O-N 3Å; K36-F39 HydrophobicContact CB-CB 4.33Å
37P60.2Low64.1Low59 Ų5997.1 Ų97.138%0.38351%0.508SS..THydrogen-bonded Turntrans-59.9134.5175.122.9-31.2000111.1N58P37-N58 PolarHBondContact O-OD1 3.41Å
38G61.5Low64.1Low34 Ų3494.5 Ų94.535%0.35150%0.501SS..THydrogen-bonded Turntrans884174.400000116.2K36 N58K36-G38 PolarHBondContact O-N 3Å; G38-N58 WeakPolarHBondContact CA-OD1 3.24Å; G38-N58 PolarHBondContact N-OD1 3.2Å
39F59.3Low64Low133 Ų13387.1 Ų87.158%0.58348%0.478SS*.PPolyproline II helixtrans-96.1132172.6-166.4-101000110.6K36 T41K36-F39 HydrophobicContact CB-CB 4.33Å; F39-T41 HydrophobicContact CD1-CG2 3.96Å; F39-T41 HydrophobicContact CE1-CG2 4.41Å
40S63Low64.1Low45 Ų4589.4 Ų89.432%0.31549%0.493SS..EExtended strand (participates in β ladder)trans-84.4120.5173.6-167.30000109.4L53 I54S40-L53 WeakPolarHBondContact OG-CD2 3.43Å; S40-I54 PolarHBondContact OG-O 3.21Å
41T63.1Low63.8Low47 Ų4795.2 Ų95.229%0.28849%0.492SS..EExtended strand (participates in β ladder)trans-99127.8174.951.70000109F39 I54F39-T41 HydrophobicContact CD1-CG2 3.96Å; F39-T41 HydrophobicContact CE1-CG2 4.41Å; T41-I54 PolarHBondContact O-N 3.19Å
42T62.1Low63.7Low97 Ų9796.2 Ų96.260%0.59550%0.499SS*.EExtended strand (participates in β ladder)trans-83.1120.8169.153.50000108.1L53T42-L53 HydrophobicContact CG2-CD2 3.67Å; T42-L53 HydrophobicContact CG2-CG 4.03Å
43Y65.6Low63.6Low45 Ų4597.8 Ų97.818%0.17651%0.507CS..EExtended strand (participates in β ladder)trans-110.8154.7169.980.3-73.1000109.5L29 E45 S52 I54L29-Y43 HydrophobicContact CD2-CD2 3.87Å; L29-Y43 HydrophobicContact CD2-CE2 3.4Å; L29-Y43 VanDerWaalsContact CD2-CE2 3.4Å; Y43-E45 HydrophobicContact CD2-CG 4.27Å; Y43-E45 HydrophobicContact CE2-CG 3.42Å; Y43-E45 VanDerWaalsContact CE2-CG 3.42Å; Y43-E45 PolarHBondContact OH-OE1 3.42Å; Y43-S52 VanDerWaalsContact CD1-O 3.3Å; Y43-S52 WeakPolarHBondContact CD1-O 3.09Å; Y43-S52 WeakPolarHBondContact CE1-OG 3.17Å; Y43-S52 PolarHBondContact N-O 3.3Å; Y43-S52 PolarHBondContact O-N 3.2Å; Y43-S52 PolarHBondContact OH-OG 2.69Å; Y43-I54 HydrophobicContact CD1-CD1 3.29Å; Y43-I54 HydrophobicContact CD1-CG1 3.61Å; Y43-I54 HydrophobicContact CE1-CD1 3.15Å; Y43-I54 HydrophobicContact CE1-CG1 3.32Å; Y43-I54 HydrophobicContact CG-CD1 4.23Å
44R61.1Low63.7Low176 Ų17697.7 Ų97.766%0.66451%0.505SS*.EExtended strand (participates in β ladder)trans-111120.4177.8-165.2179.2-169.5-172.5-1.2107.9V46 G49 R51R44-V46 PolarHBondContact O-N 3.16Å; R44-G49 PolarHBondContact NE-O 3.14Å; R44-R51 HydrophobicContact CG-CG 4.47Å
45E62.7Low63.5Low73 Ų7398.7 Ų98.734%0.34151%0.506SS..  trans-68.3128176.4-78.1179.8178.400110.2Y43 E47 T48 G49 V50Y43-E45 HydrophobicContact CD2-CG 4.27Å; Y43-E45 HydrophobicContact CE2-CG 3.42Å; Y43-E45 VanDerWaalsContact CE2-CG 3.42Å; Y43-E45 PolarHBondContact OH-OE1 3.42Å; E45-E47 PolarHBondContact O-N 3.02Å; E45-T48 VanDerWaalsContact CB-OG1 3.29Å; E45-T48 WeakPolarHBondContact CB-OG1 3.37Å; E45-T48 PolarHBondContact OE2-OG1 3.24Å; E45-T48 VanDerWaalsContact OE2-OG1 3.05Å; E45-G49 WeakPolarHBondContact O-CA 3.38Å; E45-G49 PolarHBondContact O-N 3.1Å; E45-V50 PolarHBondContact N-O 2.97Å; E45-V50 VanDerWaalsContact N-O 3.15Å
46V66.7Low63.3Low151 Ų15191.7 Ų91.792%0.91547%0.473SS*.THydrogen-bonded Turntrans-66.6-29.3-174.3-175.20000111.7R44R44-V46 PolarHBondContact O-N 3.16Å
47E66.3Low62.9Low186 Ų18688.6 Ų88.687%0.86947%0.469SS*.THydrogen-bonded Turntrans-88.7-34.5-174.3-65175.4-171.400113.1E45E45-E47 PolarHBondContact O-N 3.02Å
48T67.5Low62.7Low84 Ų8489.8 Ų89.852%0.51547%0.472SS..THydrogen-bonded Turntrans-110.8-15.9-172.758.90000113E45 V50E45-T48 VanDerWaalsContact CB-OG1 3.29Å; E45-T48 WeakPolarHBondContact CB-OG1 3.37Å; E45-T48 PolarHBondContact OE2-OG1 3.24Å; E45-T48 VanDerWaalsContact OE2-OG1 3.05Å; T48-V50 PolarHBondContact O-N 3.39Å; T48-V50 VanDerWaalsContact O-N 3.09Å
49G68.3Low62.1Low32 Ų3292.9 Ų92.933%0.3348%0.477SS..  trans69.5-1.8-176.200000114.6R44 E45R44-G49 PolarHBondContact NE-O 3.14Å; E45-G49 WeakPolarHBondContact O-CA 3.38Å; E45-G49 PolarHBondContact O-N 3.1Å
50V68.6Low61.7Low85 Ų8597 Ų9752%0.51549%0.489SS..  trans-70.3136.4-179.4179.80000109.4E45 T48E45-V50 PolarHBondContact N-O 2.97Å; E45-V50 VanDerWaalsContact N-O 3.15Å; T48-V50 PolarHBondContact O-N 3.39Å; T48-V50 VanDerWaalsContact O-N 3.09Å
51R63.8Low60.7Low197 Ų197101.8 Ų101.874%0.74351%0.51SS*.EExtended strand (participates in β ladder)trans-89.9116.5172.6-76.3-179.4164.5172.9-3.9108.8R44R44-R51 HydrophobicContact CG-CG 4.47Å
52S64.5Low59.5Low30 Ų30104.3 Ų104.321%0.2154%0.535CS..EExtended strand (participates in β ladder)trans-112.9134.3175.832.40000109.9Y43Y43-S52 VanDerWaalsContact CD1-O 3.3Å; Y43-S52 WeakPolarHBondContact CD1-O 3.09Å; Y43-S52 WeakPolarHBondContact CE1-OG 3.17Å; Y43-S52 PolarHBondContact N-O 3.3Å; Y43-S52 PolarHBondContact O-N 3.2Å; Y43-S52 PolarHBondContact OH-OG 2.69Å
53L65Low58.4Low128 Ų128102.9 Ų102.967%0.6754%0.54SS*.EExtended strand (participates in β ladder)trans-86.3121.1175.1-89.6153.5000108.4S40 T42S40-L53 WeakPolarHBondContact OG-CD2 3.43Å; T42-L53 HydrophobicContact CG2-CD2 3.67Å; T42-L53 HydrophobicContact CG2-CG 4.03Å
54I63.2Low57.3Low27 Ų27111 Ų11114%0.13858%0.576CS.*EExtended strand (participates in β ladder)trans-101.8129.1168.3-53.2167.2000108.7W26 L29 V31 S40 T41 Y43W26-I54 HydrophobicContact CH2-CG2 3.85Å; W26-I54 HydrophobicContact CZ3-CG2 3.58Å; L29-I54 HydrophobicContact CB-CD1 4.47Å; L29-I54 HydrophobicContact CD1-CD1 3.78Å; V31-I54 HydrophobicContact CG2-CD1 4.48Å; S40-I54 PolarHBondContact OG-O 3.21Å; T41-I54 PolarHBondContact O-N 3.19Å; Y43-I54 HydrophobicContact CD1-CD1 3.29Å; Y43-I54 HydrophobicContact CD1-CG1 3.61Å; Y43-I54 HydrophobicContact CE1-CD1 3.15Å; Y43-I54 HydrophobicContact CE1-CG1 3.32Å; Y43-I54 HydrophobicContact CG-CD1 4.23Å
55H55.4Low56.2Low135 Ų135109 Ų10963%0.62558%0.584SS**EExtended strand (participates in β ladder)trans-93.9111.7170.9-168.471.9000108.9P57H55-P57 WeakPolarHBondContact O-CD 3.36Å
56V60.7Low55Low6 Ų6111.5 Ų111.54%0.03661%0.609CS.*  trans-82.2118.7175.3-177.70000108.3W26 V31 P33 N58W26-V56 HydrophobicContact CZ3-CG2 4.42Å; V31-V56 HydrophobicContact CG1-CG2 3.97Å; P33-V56 HydrophobicContact CB-CG1 3.64Å; V56-N58 PolarHBondContact O-N 3.39Å
57P53.5Low53.6Low91 Ų91108 Ų10859%0.59160%0.603SS**  trans-63.9133.2-177.824.8-32.1000110.8H55 H59H55-P57 WeakPolarHBondContact O-CD 3.36Å; P57-H59 PolarHBondContact O-N 2.92Å; P57-H59 VanDerWaalsContact O-N 3.11Å
58N54.5Low52.4Low84 Ų84105.4 Ų105.445%0.44961%0.606SS.*  trans-63.3109.5174.9-99.4-33.1000110.1P37 G38 V56 R60P37-N58 PolarHBondContact O-OD1 3.41Å; G38-N58 WeakPolarHBondContact CA-OD1 3.24Å; G38-N58 PolarHBondContact N-OD1 3.2Å; V56-N58 PolarHBondContact O-N 3.39Å; N58-R60 HydrophobicContact CB-CG 4.43Å; N58-R60 PolarHBondContact O-N 2.98Å
59H49.2Very low51.4Low98 Ų98105.9 Ų105.945%0.45461%0.613SS.*  trans-76.271.3165.764.8-88.3000108.9P57 I61P57-H59 PolarHBondContact O-N 2.92Å; P57-H59 VanDerWaalsContact O-N 3.11Å; H59-I61 PolarHBondContact O-N 3.19Å
60R50.4Low50.6Low220 Ų220110.2 Ų110.283%0.8364%0.638SS**  trans-73.797.6171.1-80-170.3179.2-166.21.3109.2N58 A62N58-R60 HydrophobicContact CB-CG 4.43Å; N58-R60 PolarHBondContact O-N 2.98Å; R60-A62 PolarHBondContact O-N 3.41Å
61I43.2Very low49.9Very low146 Ų146114 Ų11475%0.74965%0.65SS**  trans-47.7128.4151.8-66.1166.9000107.6H59 G63H59-I61 PolarHBondContact O-N 3.19Å; I61-G63 PolarHBondContact O-N 3.47Å
62A37.1Very low49.2Very low99 Ų99108.9 Ų108.982%0.81865%0.65SS**SBendtrans-56.6128.8173.800000110.4R60R60-A62 PolarHBondContact O-N 3.41Å
63G39.5Very low48.7Very low67 Ų67116.7 Ų116.769%0.69168%0.676SS**  trans115.694164.900000115.3I61I61-G63 PolarHBondContact O-N 3.47Å
64K42.2Very low48.3Very low215 Ų215116.2 Ų116.294%0.93568%0.678SS**  177.9124.8125.6-97.4167.9179.9-177.80110.7
65T37.6Very low48.3Very low136 Ų136121.8 Ų121.883%0.83470%0.704SS**  trans-84131.2171.444.10000110.3
66S38.5Very low48.6Very low125 Ų125120.5 Ų120.587%0.87471%0.707SS**  trans167.1127.1135.456.60000112.1
67G36.4Very low48.5Very low77 Ų77129.4 Ų129.479%0.79475%0.745SS**  trans108.994.8138.400000119
68S40.6Very low48.8Very low131 Ų131130.4 Ų130.492%0.91675%0.752SS**  trans71.693.1142.8-154.30000119.3
69S47.1Very low48.9Very low95 Ų95135 Ų13566%0.66478%0.775SS**  trans-167.7148.3144.4-176.40000108.2E71S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 3.28Å
70S52.3Low49.2Very low122 Ų122134.4 Ų134.485%0.85378%0.775SS**  trans-6274.8-170.655.90000114.7
71E52.8Low49.5Very low166 Ų166132 Ų13278%0.77678%0.778SS**  trans-101.2124175.6-74.617417400110S69S69-E71 VanDerWaalsContact C-N 3.34Å; S69-E71 PolarHBondContact O-N 3.28Å
72A49.6Very low49.9Very low89 Ų89136.2 Ų136.274%0.73678%0.784SS**  trans-45.6141.2176.300000111.1V74A72-V74 WeakPolarHBondContact O-CG2 3.07Å; A72-V74 PolarHBondContact O-N 3.15Å
73Y54.7Low50.5Low193 Ų193139.7 Ų139.776%0.75778%0.777SS**  trans-40.397.6-179.7-179.4-101000112.1Q75Y73-Q75 HydrophobicContact CD1-CG 4.02Å; Y73-Q75 HydrophobicContact CE1-CB 4.48Å; Y73-Q75 HydrophobicContact CE1-CG 3.47Å; Y73-Q75 VanDerWaalsContact CE1-CG 3.47Å; Y73-Q75 PolarHBondContact O-N 3.46Å
74V55.4Low51.2Low118 Ų118142.2 Ų142.272%0.71578%0.775SS**  trans-83.4110.5170.3179.40000105.9A72A72-V74 WeakPolarHBondContact O-CG2 3.07Å; A72-V74 PolarHBondContact O-N 3.15Å
75Q64.7Low51.8Low145 Ų145135.2 Ų135.268%0.67875%0.751SS**PPolyproline II helixtrans-53.7130174-77.8-177.31.600109.8Y73 K77Y73-Q75 HydrophobicContact CD1-CG 4.02Å; Y73-Q75 HydrophobicContact CE1-CB 4.48Å; Y73-Q75 HydrophobicContact CE1-CG 3.47Å; Y73-Q75 VanDerWaalsContact CE1-CG 3.47Å; Y73-Q75 PolarHBondContact O-N 3.46Å; Q75-K77 PolarHBondContact O-N 3.34Å
76P60.6Low52.6Low108 Ų108140.2 Ų140.270%0.70176%0.755SS**PPolyproline II helixtrans-64.6125.1179.126.2-32.7000109.4
77K58.7Low53.4Low192 Ų192140.9 Ų140.984%0.83575%0.746SS**PPolyproline II helixtrans-66.1132.8171.2-64.7178.8-177.7178.50108.3Q75 L79Q75-K77 PolarHBondContact O-N 3.34Å; K77-L79 PolarHBondContact O-N 3.29Å
78P59.7Low54.4Low112 Ų112143.1 Ų143.173%0.72773%0.731SS**PPolyproline II helixtrans-62.2137.6-178.123.9-32.5000111.2N80P78-N80 PolarHBondContact O-N 2.68Å
79L57.2Low55.5Low180 Ų180143.8 Ų143.894%0.94273%0.725SS**SBendtrans-66.65.3-176.1-88.4148.9000115.2K77 I81K77-L79 PolarHBondContact O-N 3.29Å; L79-I81 PolarHBondContact O-N 2.71Å
80N55.2Low56.1Low86 Ų86140 Ų14046%0.4670%0.701SS.*  trans-97.496.5-175.8-165.5-6.5000112.2P78 R82 Y83P78-N80 PolarHBondContact O-N 2.68Å; N80-R82 PolarHBondContact O-N 2.97Å; N80-R82 VanDerWaalsContact OD1-CB 3.27Å; N80-R82 WeakPolarHBondContact OD1-CB 3.13Å; N80-R82 PolarHBondContact OD1-N 3.47Å; N80-Y83 PolarHBondContact O-N 3.37Å
81I55.5Low56.8Low171 Ų171136.4 Ų136.488%0.87768%0.683SS**THydrogen-bonded Turntrans-58.7-14.1173.4-66148.9000112.6L79L79-I81 PolarHBondContact O-N 2.71Å
82R52.9Low57.7Low233 Ų233137.5 Ų137.588%0.87969%0.693SS**THydrogen-bonded Turntrans-87.9-12.9174.4-57.6-175.8174.3-140.2-1.1113.9N80 N84N80-R82 PolarHBondContact O-N 2.97Å; N80-R82 VanDerWaalsContact OD1-CB 3.27Å; N80-R82 WeakPolarHBondContact OD1-CB 3.13Å; N80-R82 PolarHBondContact OD1-N 3.47Å; R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 3.21Å
83Y50Low58.7Low173 Ų173140 Ų14068%0.67869%0.693SS**  trans-9170.5170.6-137.7-92.3000107.8N80 P85N80-Y83 PolarHBondContact O-N 3.37Å; Y83-P85 WeakPolarHBondContact O-CD 3.29Å; Y83-P85 VanDerWaalsContact O-N 3.17Å
84N53Low59.2Low120 Ų120136 Ų13664%0.64269%0.691SS**  trans-64110.4163.5-173.8-6.4000105.3R82 R86R82-N84 VanDerWaalsContact C-N 3.27Å; R82-N84 PolarHBondContact O-N 3.21Å; N84-R86 PolarHBondContact O-N 3.43Å
85P54.7Low59.6Low68 Ų68135.5 Ų135.544%0.44268%0.676SS.*  trans-65.196.6172.829.1-29.8000105.4Y83 M87Y83-P85 WeakPolarHBondContact O-CD 3.29Å; Y83-P85 VanDerWaalsContact O-N 3.17Å; P85-M87 HydrophobicContact CB-CB 4.15Å; P85-M87 PolarHBondContact O-N 2.8Å; P85-M87 VanDerWaalsContact O-N 3.12Å
86R53.9Low59.5Low241 Ų241134.4 Ų134.491%0.90967%0.674SS**  trans-68.714152.1-62.3-176.8178.3-179.8-0.1110.3N84 Y88N84-R86 PolarHBondContact O-N 3.43Å; R86-Y88 PolarHBondContact O-N 3.15Å
87M55.6Low59.4Low139 Ų139135.3 Ų135.369%0.68567%0.674SS**SBendtrans-76.4118.6166.1-63-176.476.700105.4P85 D89P85-M87 HydrophobicContact CB-CB 4.15Å; P85-M87 PolarHBondContact O-N 2.8Å; P85-M87 VanDerWaalsContact O-N 3.12Å; M87-D89 PolarHBondContact O-N 3.14Å; M87-D89 VanDerWaalsContact O-N 3.1Å
88Y57.8Low59.7Low123 Ų123137 Ų13748%0.48268%0.676SS.*  trans-60.1109.5175.4175.7-106.8000108.9R86 G90 G91 L93 R95R86-Y88 PolarHBondContact O-N 3.15Å; Y88-G90 WeakPolarHBondContact CD1-O 3.35Å; Y88-G90 WeakPolarHBondContact CE1-O 3.33Å; Y88-G90 PolarHBondContact O-N 3.47Å; Y88-G91 WeakPolarHBondContact CE1-O 3.36Å; Y88-L93 PolarHBondContact OH-O 3.43Å; Y88-R95 WeakPolarHBondContact OH-CA 3.31Å; Y88-R95 WeakPolarHBondContact OH-CB 3.37Å; Y88-R95 WeakPolarHBondContact OH-CD 3.27Å; Y88-R95 WeakPolarHBondContact OH-CG 3.32Å; Y88-R95 PolarHBondContact OH-N 3.29Å
89D64Low59.9Low146 Ų146135 Ų13578%0.78166%0.662SS**  trans-75.2-4.3176.4-63.6-18.3000112.6M87M87-D89 PolarHBondContact O-N 3.14Å; M87-D89 VanDerWaalsContact O-N 3.1Å
90G59.8Low60.4Low16 Ų16132.8 Ų132.817%0.16565%0.651CS.*SBendtrans-68.8139.5167.400000108.8Y88Y88-G90 WeakPolarHBondContact CD1-O 3.35Å; Y88-G90 WeakPolarHBondContact CE1-O 3.33Å; Y88-G90 PolarHBondContact O-N 3.47Å
91G67.4Low61.1Low46 Ų46136.2 Ų136.247%0.47466%0.662SS.*  trans-55.6-176.4176.100000113.3Y88 L93Y88-G91 WeakPolarHBondContact CE1-O 3.36Å; G91-L93 PolarHBondContact O-N 3.39Å
92L71.7Confident61.9Low189 Ų189135.7 Ų135.799%0.9966%0.656SS**SBendtrans-53.6-13-171.8-64.1167.3000117
93L69.3Low62.9Low140 Ų140129.5 Ų129.573%0.73364%0.644SS**SBendtrans-96.1136.1-179.1-70.3166.4000111.6Y88 G91 R95Y88-L93 PolarHBondContact OH-O 3.43Å; G91-L93 PolarHBondContact O-N 3.39Å; L93-R95 PolarHBondContact O-N 2.82Å; L93-R95 VanDerWaalsContact O-N 3.1Å
94P65.9Low64.4Low111 Ų111126 Ų12672%0.72164%0.64SS**  trans-65.5110.5177.426-32.5000111.2
95R63.1Low66Low106 Ų106127.6 Ų127.640%0.465%0.648SS.*PPolyproline II helixtrans-87.4145167.8-56.9169.7-177.8-156.4-2.6109.7Y88 L93 D100Y88-R95 WeakPolarHBondContact OH-CA 3.31Å; Y88-R95 WeakPolarHBondContact OH-CB 3.37Å; Y88-R95 WeakPolarHBondContact OH-CD 3.27Å; Y88-R95 WeakPolarHBondContact OH-CG 3.32Å; Y88-R95 PolarHBondContact OH-N 3.29Å; L93-R95 PolarHBondContact O-N 2.82Å; L93-R95 VanDerWaalsContact O-N 3.1Å; R95-D100 IonicContact NH1-OD1 2.8Å; R95-D100 PolarHBondContact NH1-OD1 3.33Å
96L63.3Low67.7Low122 Ų122129.4 Ų129.464%0.63966%0.659SS**PPolyproline II helixtrans-56.1139.3169.1-77.6138.9000109.8Y98 T99 V103L96-Y98 PolarHBondContact O-N 3.48Å; L96-Y98 VanDerWaalsContact O-N 3.14Å; L96-T99 PolarHBondContact O-N 2.9Å; L96-V103 HydrophobicContact CD1-CG2 4.17Å
97N58.7Low69.6Low128 Ų128125.7 Ų125.768%0.68465%0.652SS**THydrogen-bonded Turntrans-54.4123.8179-62-22.9000109.1
98Y63.9Low71.5Confident228 Ų228127 Ų12789%0.89466%0.656SS**THydrogen-bonded Turntrans75.818.3174.9-33.7-71.8000117.9L96L96-Y98 PolarHBondContact O-N 3.48Å; L96-Y98 VanDerWaalsContact O-N 3.14Å
99T64.3Low73.2Confident69 Ų69129 Ų12942%0.42367%0.668SS.*  trans-142.8125.9170.7-47.70000112.6L96 K101L96-T99 PolarHBondContact O-N 2.9Å; T99-K101 HydrophobicContact CG2-CB 3.85Å; T99-K101 HydrophobicContact CG2-CD 3.82Å; T99-K101 HydrophobicContact CG2-CG 3.67Å; T99-K101 PolarHBondContact O-N 2.96Å; T99-K101 VanDerWaalsContact O-N 3.15Å
100D68.2Low74.6Confident133 Ų133127.1 Ų127.171%0.71166%0.664SS**  trans-74.67.5177-74.5-40.6000114.7R95R95-D100 IonicContact NH1-OD1 2.8Å; R95-D100 PolarHBondContact NH1-OD1 3.33Å
101K70.4Confident76.3Confident159 Ų159134 Ų13469%0.69168%0.684SS**  trans-76.5132.1179.2-69.1177.6-175.91800109.3T99T99-K101 HydrophobicContact CG2-CB 3.85Å; T99-K101 HydrophobicContact CG2-CD 3.82Å; T99-K101 HydrophobicContact CG2-CG 3.67Å; T99-K101 PolarHBondContact O-N 2.96Å; T99-K101 VanDerWaalsContact O-N 3.15Å
102Q71.5Confident77.6Confident159 Ų159136.3 Ų136.374%0.74369%0.686SS**  trans-56.3143.8171.258.2172.521.900110.8V104Q102-V104 HydrophobicContact CG-CG2 3.58Å; Q102-V104 VanDerWaalsContact NE2-CG2 3.33Å; Q102-V104 PolarHBondContact O-N 3.42Å
103V73.8Confident78.8Confident104 Ų104134 Ų13463%0.6367%0.668SS**  trans-72.797.5170.7-179.30000107.4L96L96-V103 HydrophobicContact CD1-CG2 4.17Å
104V82.5Confident80.1Confident98 Ų98137.4 Ų137.459%0.59467%0.671SS**PPolyproline II helixtrans-89.7124.3175.9-169.70000108.5Q102Q102-V104 HydrophobicContact CG-CG2 3.58Å; Q102-V104 VanDerWaalsContact NE2-CG2 3.33Å; Q102-V104 PolarHBondContact O-N 3.42Å
105L85.8Confident81.6Confident154 Ų154133.6 Ų133.681%0.80665%0.647SS**PPolyproline II helixtrans-62.2125.7167.3-169.373.8000107.9E107L105-E107 PolarHBondContact O-N 3.32Å
106P90.8Very high83.2Confident106 Ų106133 Ų13369%0.68866%0.658SS**PPolyproline II helixtrans-57.9142.4178.223.9-32.9000110.2H108P106-H108 PolarHBondContact O-N 3.44Å
107E93.3Very high84.8Confident163 Ų163134.6 Ų134.676%0.76266%0.661SS**PPolyproline II helixtrans-56.1125.5177-68.2175.7177.900110.3L105 K109L105-E107 PolarHBondContact O-N 3.32Å; E107-K109 PolarHBondContact O-N 2.75Å; E107-K109 VanDerWaalsContact O-N 3.16Å
108H94.8Very high86.6Confident166 Ų166132.7 Ų132.777%0.76965%0.645SS**  trans-66.7113.9176.2174.2-101.2000109.8P106 P110P106-H108 PolarHBondContact O-N 3.44Å; H108-P110 WeakPolarHBondContact O-CD 3.2Å
109K94.2Very high88.1Confident166 Ų166124.1 Ų124.172%0.72262%0.621SS**  trans-105.498176.2-66.7-177.7-177.1-178.30109.1E107 R111E107-K109 PolarHBondContact O-N 2.75Å; E107-K109 VanDerWaalsContact O-N 3.16Å; K109-R111 PolarHBondContact O-N 3.37Å
110P93.9Very high89.7Confident107 Ų107126.3 Ų126.370%0.69563%0.626SS**  trans-60.3131.8177.824.6-31.8000109.5H108H108-P110 WeakPolarHBondContact O-CD 3.2Å
111R94.9Very high91Very high159 Ų159127.7 Ų127.760%0.663%0.626SS**  trans-101.4114.4-178.7-167.4-179.1-171.1-133.3-5.5108.5K109 F113 R118K109-R111 PolarHBondContact O-N 3.37Å; R111-F113 WeakPolarHBondContact O-CD2 3.21Å; R111-F113 PolarHBondContact O-N 2.86Å; R111-R118 VanDerWaalsContact CZ-NH2 3.29Å; R111-R118 VanDerWaalsContact NE-CZ 3.32Å; R111-R118 VanDerWaalsContact NE-NH1 3.19Å; R111-R118 VanDerWaalsContact NH2-CZ 3.29Å
112D96.2Very high92.1Very high96 Ų96121.6 Ų121.651%0.51361%0.608SS.*  trans-67.9121.6171.4-177.711.4000109.8W114 S115 R118D112-W114 PolarHBondContact OD1-N 3.18Å; D112-S115 PolarHBondContact OD1-N 3.49Å; D112-S115 WeakPolarHBondContact OD2-CA 2.97Å; D112-S115 PolarHBondContact OD2-N 3.49Å; D112-R118 PolarHBondContact O-NH1 3.48Å
113F95.9Very high93.1Very high140 Ų140119.6 Ų119.661%0.61460%0.599SS**SBendtrans-87.8-19.2178.5-69.4-76.3000112.5R111R111-F113 WeakPolarHBondContact O-CD2 3.21Å; R111-F113 PolarHBondContact O-N 2.86Å
114W96.4Very high94.1Very high211 Ų211118.9 Ų118.980%0.79959%0.592SS**SBendtrans-108.218.1-176.6-67.8106.1000113D112 A119D112-W114 PolarHBondContact OD1-N 3.18Å; W114-A119 HydrophobicContact CE3-CB 4.36Å
115S96.7Very high94.6Very high31 Ų31117.7 Ų117.722%0.21758%0.582CS.*  trans-58.3142.617467.10000110.2D112 H117 R118 A119D112-S115 PolarHBondContact OD1-N 3.49Å; D112-S115 WeakPolarHBondContact OD2-CA 2.97Å; D112-S115 PolarHBondContact OD2-N 3.49Å; S115-H117 VanDerWaalsContact C-N 3.28Å; S115-H117 PolarHBondContact O-N 3.42Å; S115-H117 VanDerWaalsContact O-N 3.09Å; S115-R118 WeakPolarHBondContact O-CA 3.39Å; S115-R118 PolarHBondContact O-N 2.82Å; S115-A119 PolarHBondContact O-N 3.25Å
116P97.6Very high95Very high95 Ų95117.9 Ų117.962%0.61757%0.573SS**Hα-helixtrans-52.9-41.4-169.7-30.835.2000114.2R118 A119 H120P116-R118 PolarHBondContact O-N 3.47Å; P116-A119 PolarHBondContact O-N 2.89Å; P116-H120 WeakPolarHBondContact O-CB 3.49Å; P116-H120 PolarHBondContact O-CD2 3.37Å; P116-H120 PolarHBondContact O-N 3.25Å
117H96Very high95.2Very high155 Ų155115 Ų11572%0.71855%0.551SS**Hα-helixtrans-63.3-28.5178.6-179.261000113.6S115 F121S115-H117 VanDerWaalsContact C-N 3.28Å; S115-H117 PolarHBondContact O-N 3.42Å; S115-H117 VanDerWaalsContact O-N 3.09Å; H117-F121 PolarHBondContact O-N 2.92Å
118R96.6Very high95.3Very high87 Ų87110.5 Ų110.533%0.32853%0.533SS..Hα-helixtrans-86.3-41.4174.7-67.5-170.8-174.6162.621.8112.5R111 D112 S115 P116 H120 F121R111-R118 VanDerWaalsContact CZ-NH2 3.29Å; R111-R118 VanDerWaalsContact NE-CZ 3.32Å; R111-R118 VanDerWaalsContact NE-NH1 3.19Å; R111-R118 VanDerWaalsContact NH2-CZ 3.29Å; D112-R118 PolarHBondContact O-NH1 3.48Å; S115-R118 WeakPolarHBondContact O-CA 3.39Å; S115-R118 PolarHBondContact O-N 2.82Å; P116-R118 PolarHBondContact O-N 3.47Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 3.38Å; R118-F121 WeakPolarHBondContact O-CB 3.45Å; R118-F121 PolarHBondContact O-N 2.85Å
119A97.1Very high95.3Very high49 Ų49108.2 Ų108.241%0.40553%0.525SS..Hα-helixtrans-60.8-38.1177.800000111.6W114 S115 P116W114-A119 HydrophobicContact CE3-CB 4.36Å; S115-A119 PolarHBondContact O-N 3.25Å; P116-A119 PolarHBondContact O-N 2.89Å
120H96.2Very high95.3Very high115 Ų115107.5 Ų107.553%0.53253%0.528SS..THydrogen-bonded Turntrans-92.55.5177.6-62.8-65.3000114.1P116 R118 G122 Q123P116-H120 WeakPolarHBondContact O-CB 3.49Å; P116-H120 PolarHBondContact O-CD2 3.37Å; P116-H120 PolarHBondContact O-N 3.25Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 3.38Å; H120-G122 PolarHBondContact O-N 3.35Å; H120-Q123 PolarHBondContact ND1-OE1 3.26Å; H120-Q123 VanDerWaalsContact O-CB 3.24Å; H120-Q123 WeakPolarHBondContact O-CB 3.35Å; H120-Q123 PolarHBondContact O-N 3.35Å
121F96Very high95.2Very high162 Ų162104.3 Ų104.371%0.71152%0.515SS*.THydrogen-bonded Turntrans-64.3132.7-179.2-177.3-95.6000111H117 R118 Q123H117-F121 PolarHBondContact O-N 2.92Å; R118-F121 WeakPolarHBondContact O-CB 3.45Å; R118-F121 PolarHBondContact O-N 2.85Å; F121-Q123 PolarHBondContact O-N 3.11Å
122G93.3Very high95.1Very high30 Ų30103 Ų10331%0.30952%0.52SS..THydrogen-bonded Turntrans78.90.8-178.300000114.7H120 N124 D125H120-G122 PolarHBondContact O-N 3.35Å; G122-N124 PolarHBondContact O-N 3.35Å; G122-D125 WeakPolarHBondContact CA-OD2 3.29Å; G122-D125 PolarHBondContact O-N 3.09Å
123Q94.1Very high95Very high118 Ų118100.4 Ų100.455%0.55152%0.515SS*.THydrogen-bonded Turntrans-61.8127.7170.5-169.6171.1-8.100109.1H120 F121H120-Q123 PolarHBondContact ND1-OE1 3.26Å; H120-Q123 VanDerWaalsContact O-CB 3.24Å; H120-Q123 WeakPolarHBondContact O-CB 3.35Å; H120-Q123 PolarHBondContact O-N 3.35Å; F121-Q123 PolarHBondContact O-N 3.11Å
124N93.6Very high94.9Very high89 Ų89101.7 Ų101.748%0.47652%0.521SS..THydrogen-bonded Turntrans76.313.1-177.8-46.9-34000117G122 Y126 I127G122-N124 PolarHBondContact O-N 3.35Å; N124-Y126 PolarHBondContact O-N 2.89Å; N124-I127 HydrophobicContact CB-CB 4.42Å; N124-I127 HydrophobicContact CB-CD1 4.47Å; N124-I127 WeakPolarHBondContact O-CB 3.43Å; N124-I127 WeakPolarHBondContact O-CG2 3.42Å; N124-I127 PolarHBondContact O-N 3.18Å
125D93.7Very high94.8Very high73 Ų7395.5 Ų95.539%0.3950%0.502SS..THydrogen-bonded Turntrans-62.1-24.9176.4-79.8-6.7000113.8G122 P137G122-D125 WeakPolarHBondContact CA-OD2 3.29Å; G122-D125 PolarHBondContact O-N 3.09Å; D125-P137 VanDerWaalsContact O-CG 3.26Å; D125-P137 WeakPolarHBondContact O-CG 3.26Å
126Y94.6Very high94.6Very high158 Ų158100.3 Ų100.362%0.6252%0.519SS*.THydrogen-bonded Turntrans-109.823.5-177.9-60.9-64.9000113.3N124 D128 I129 L130N124-Y126 PolarHBondContact O-N 2.89Å; Y126-D128 PolarHBondContact O-N 2.93Å; Y126-I129 HydrophobicContact CD1-CD1 3.77Å; Y126-I129 HydrophobicContact CD1-CG1 4.3Å; Y126-I129 HydrophobicContact CG-CD1 4.15Å; Y126-I129 HydrophobicContact CG-CG1 4.46Å; Y126-I129 VanDerWaalsContact O-CG1 3.31Å; Y126-I129 WeakPolarHBondContact O-CG1 3.13Å; Y126-I129 PolarHBondContact O-N 3.46Å; Y126-L130 PolarHBondContact O-N 3.09Å
127I94.8Very high94.3Very high45 Ų4597 Ų9723%0.23150%0.498CS..Hα-helixtrans-62.8-24.3-177.7-167.4164.1000113.3N124 G131 F140N124-I127 HydrophobicContact CB-CB 4.42Å; N124-I127 HydrophobicContact CB-CD1 4.47Å; N124-I127 WeakPolarHBondContact O-CB 3.43Å; N124-I127 WeakPolarHBondContact O-CG2 3.42Å; N124-I127 PolarHBondContact O-N 3.18Å; I127-G131 VanDerWaalsContact O-CA 3.27Å; I127-G131 WeakPolarHBondContact O-CA 3.24Å; I127-G131 PolarHBondContact O-N 3.28Å; I127-F140 HydrophobicContact CD1-CE2 4.19Å; I127-F140 HydrophobicContact CD1-CZ 4.05Å; I127-F140 HydrophobicContact CG2-CE2 3.95Å
128D94.2Very high94Very high69 Ų6996.1 Ų96.137%0.36949%0.488SS..Hα-helixtrans-72.5-36.4176.859-19.4000113Y126Y126-D128 PolarHBondContact O-N 2.93Å
129I95Very high93.8Very high118 Ų11897.1 Ų97.161%0.60550%0.5SS*.Hα-helixtrans-92.5-26.1-179.359.4166.6000113.6Y126Y126-I129 HydrophobicContact CD1-CD1 3.77Å; Y126-I129 HydrophobicContact CD1-CG1 4.3Å; Y126-I129 HydrophobicContact CG-CD1 4.15Å; Y126-I129 HydrophobicContact CG-CG1 4.46Å; Y126-I129 VanDerWaalsContact O-CG1 3.31Å; Y126-I129 WeakPolarHBondContact O-CG1 3.13Å; Y126-I129 PolarHBondContact O-N 3.46Å
130L94.5Very high93.5Very high150 Ų15099.6 Ų99.679%0.78550%0.502SS*.Hα-helixtrans-102.5-8.3-179.8-59.8-177.1000113.6Y126Y126-L130 PolarHBondContact O-N 3.09Å
131G91.5Very high93.3Very high41 Ų41100.6 Ų100.642%0.42350%0.502SS..SBendtrans-113.5-159.4-17900000113.7I127 G133I127-G131 VanDerWaalsContact O-CA 3.27Å; I127-G131 WeakPolarHBondContact O-CA 3.24Å; I127-G131 PolarHBondContact O-N 3.28Å; G131-G133 PolarHBondContact O-N 3.43Å; G131-G133 VanDerWaalsContact O-N 3.16Å
132D93.9Very high93.1Very high132 Ų13299.8 Ų99.871%0.70651%0.51SS*.  trans-68.9-6.3179.7-71.86.3000114.4K134D132-K134 HydrophobicContact CB-CB 4.46Å; D132-K134 HydrophobicContact CB-CD 4.01Å; D132-K134 HydrophobicContact CB-CG 3.98Å; D132-K134 PolarHBondContact O-N 3.07Å; D132-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 IonicContact OD2-NZ 2.67Å; D132-K134 PolarHBondContact OD2-NZ 2.86Å
133G92.4Very high93Very high40 Ų40100.3 Ų100.341%0.41252%0.516SS..SBendtrans69.1-0.3-173.200000115.4G131G131-G133 PolarHBondContact O-N 3.43Å; G131-G133 VanDerWaalsContact O-N 3.16Å
134K94.6Very high93Very high168 Ų16897.7 Ų97.773%0.7351%0.509SS*.SBendtrans-68.8-34.6-179.8-67.6172.4-172.2149.80113.2D132D132-K134 HydrophobicContact CB-CB 4.46Å; D132-K134 HydrophobicContact CB-CD 4.01Å; D132-K134 HydrophobicContact CB-CG 3.98Å; D132-K134 PolarHBondContact O-N 3.07Å; D132-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 IonicContact OD2-NZ 2.67Å; D132-K134 PolarHBondContact OD2-NZ 2.86Å
135I93.9Very high92.7Very high80 Ų8097.9 Ų97.941%0.4152%0.515SS..SBendtrans-111.3134.5-177-51.9168.4000107.7D139 F140I135-D139 HydrophobicContact CG2-CB 4.06Å; I135-F140 HydrophobicContact CB-CE2 4.49Å; I135-F140 HydrophobicContact CG2-CD2 4.3Å; I135-F140 HydrophobicContact CG2-CE2 3.4Å; I135-F140 VanDerWaalsContact CG2-CE2 3.4Å; I135-F140 HydrophobicContact CG2-CZ 3.72Å
136K92.1Very high92.6Very high133 Ų13397.3 Ų97.358%0.57851%0.508SS*.  trans-102.2152.8177.5-65.9-178.1-179.4177.50110.1R138 D139K136-R138 PolarHBondContact O-N 2.94Å; K136-D139 PolarHBondContact N-OD2 3.2Å; K136-D139 WeakPolarHBondContact O-CB 3.36Å; K136-D139 PolarHBondContact O-N 3.44Å
137P92.3Very high92.5Very high25 Ų2592.2 Ų92.216%0.16249%0.493CS..G310 helixtrans-53.2-30.3176.7-29.135.5000113.6D125 D139 F140D125-P137 VanDerWaalsContact O-CG 3.26Å; D125-P137 WeakPolarHBondContact O-CG 3.26Å; P137-D139 PolarHBondContact O-N 2.9Å; P137-F140 PolarHBondContact O-N 2.67Å
138R90.6Very high92.3Very high137 Ų13792.2 Ų92.252%0.51749%0.493SS..G310 helixtrans-63.3-26.7178.4-161.1177.6-166.6-167.71.3113.8K136 F140 Y141 L148K136-R138 PolarHBondContact O-N 2.94Å; R138-F140 PolarHBondContact O-N 2.8Å; R138-Y141 HydrophobicContact CG-CD2 4.27Å; R138-Y141 PolarHBondContact O-N 2.77Å; R138-L148 VanDerWaalsContact NH2-C 3.32Å; R138-L148 PolarHBondContact NH2-O 3.05Å
139D91.3Very high91.8Very high107 Ų10792.1 Ų92.157%0.57251%0.508SS*.G310 helixtrans-72.1-21.2-176.5-56.8-30.4000111.7I135 K136 P137I135-D139 HydrophobicContact CG2-CB 4.06Å; K136-D139 PolarHBondContact N-OD2 3.2Å; K136-D139 WeakPolarHBondContact O-CB 3.36Å; K136-D139 PolarHBondContact O-N 3.44Å; P137-D139 PolarHBondContact O-N 2.9Å
140F91.3Very high91.7Very high102 Ų10287.7 Ų87.745%0.44749%0.487SS..G310 helixtrans-87.3-15.2177.3-64.5-78.8000113.9I127 I135 P137 R138 T142I127-F140 HydrophobicContact CD1-CE2 4.19Å; I127-F140 HydrophobicContact CD1-CZ 4.05Å; I127-F140 HydrophobicContact CG2-CE2 3.95Å; I135-F140 HydrophobicContact CB-CE2 4.49Å; I135-F140 HydrophobicContact CG2-CD2 4.3Å; I135-F140 HydrophobicContact CG2-CE2 3.4Å; I135-F140 VanDerWaalsContact CG2-CE2 3.4Å; I135-F140 HydrophobicContact CG2-CZ 3.72Å; P137-F140 PolarHBondContact O-N 2.67Å; R138-F140 PolarHBondContact O-N 2.8Å; F140-T142 PolarHBondContact O-N 3.2Å
141Y91.4Very high91.5Very high135 Ų13591.6 Ų91.653%0.52949%0.491SS..  trans-70.6122.5-176.2-66.1-27.4000112R138R138-Y141 HydrophobicContact CG-CD2 4.27Å; R138-Y141 PolarHBondContact O-N 2.77Å
142T92.2Very high91.6Very high145 Ų14592.2 Ų92.289%0.8949%0.485SS*.  trans-90.7127.3175.2-34.60000109.9F140F140-T142 PolarHBondContact O-N 3.2Å
143G92Very high91.7Very high42 Ų4290 Ų9043%0.43347%0.47SS..SBendtrans162.1-179.2175.200000113.1
144P92.7Very high91.9Very high62 Ų6290.7 Ų90.740%0.40346%0.461SS..  trans-63.3131.5178-18.830.7000110.7W146 V147P144-W146 HydrophobicContact CB-CD2 4.19Å; P144-W146 HydrophobicContact CB-CG 4.46Å; P144-W146 HydrophobicContact CB-CZ2 3.73Å; P144-W146 HydrophobicContact CG-CZ2 4.11Å; P144-W146 PolarHBondContact O-N 3.06Å; P144-W146 VanDerWaalsContact O-N 3.15Å; P144-V147 HydrophobicContact CB-CG2 4.03Å; P144-V147 HydrophobicContact CG-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CB 3.48Å; P144-V147 PolarHBondContact O-N 3.36Å
145P88.6Confident92Very high93 Ų9386.6 Ų86.660%0.60444%0.444SS*.THydrogen-bonded Turntrans-62.7-29.6-171.221.4-32.4000113.2V147 L148P145-V147 PolarHBondContact O-N 2.93Å; P145-L148 PolarHBondContact O-N 3.38Å
146W90.7Very high92.1Very high62 Ų6286.9 Ų86.924%0.23544%0.44CS..THydrogen-bonded Turntrans-73.5-9.9176.754-93.2000114P144 T150 S159 R160 I166P144-W146 HydrophobicContact CB-CD2 4.19Å; P144-W146 HydrophobicContact CB-CG 4.46Å; P144-W146 HydrophobicContact CB-CZ2 3.73Å; P144-W146 HydrophobicContact CG-CZ2 4.11Å; P144-W146 PolarHBondContact O-N 3.06Å; P144-W146 VanDerWaalsContact O-N 3.15Å; W146-T150 VanDerWaalsContact O-CG2 3.31Å; W146-T150 WeakPolarHBondContact O-CG2 3.46Å; W146-S159 VanDerWaalsContact O-CB 3.32Å; W146-S159 WeakPolarHBondContact O-CB 3.44Å; W146-R160 HydrophobicContact CB-CB 4.41Å; W146-R160 HydrophobicContact CD2-CB 4.4Å; W146-R160 HydrophobicContact CD2-CG 4.45Å; W146-R160 HydrophobicContact CG-CB 4.34Å; W146-R160 HydrophobicContact CG-CG 4.45Å; W146-I166 HydrophobicContact CB-CD1 4.44Å; W146-I166 HydrophobicContact CG-CD1 4.05Å
147V92.4Very high92.4Very high50 Ų5080.7 Ų80.730%0.30341%0.413SS..THydrogen-bonded Turntrans-91.2-36.1174.3-178.70000111.1P144 P145 G149 T150P144-V147 HydrophobicContact CB-CG2 4.03Å; P144-V147 HydrophobicContact CG-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CB 3.48Å; P144-V147 PolarHBondContact O-N 3.36Å; P145-V147 PolarHBondContact O-N 2.93Å; V147-G149 PolarHBondContact O-N 3.27Å; V147-G149 VanDerWaalsContact O-N 3.16Å; V147-T150 PolarHBondContact O-N 3.32Å; V147-T150 PolarHBondContact O-OG1 3.48Å
148L90.8Very high92.5Very high46 Ų4680.3 Ų80.324%0.24141%0.411CS..THydrogen-bonded Turntrans-58.1122.4-171.9-62.3178.7000109.9R138 P145 T150R138-L148 VanDerWaalsContact NH2-C 3.32Å; R138-L148 PolarHBondContact NH2-O 3.05Å; P145-L148 PolarHBondContact O-N 3.38Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.48Å
149G84.8Confident92.8Very high67 Ų6775.8 Ų75.869%0.69140%0.401SS*.THydrogen-bonded Turntrans74.58.2179.600000116.5V147V147-G149 PolarHBondContact O-N 3.27Å; V147-G149 VanDerWaalsContact O-N 3.16Å
150T92.4Very high93Very high25 Ų2572.6 Ų72.615%0.15338%0.38CS..  trans-87.7132.3170.862.50000110.6W146 V147 L148 Q155 R156 S159W146-T150 VanDerWaalsContact O-CG2 3.31Å; W146-T150 WeakPolarHBondContact O-CG2 3.46Å; V147-T150 PolarHBondContact O-N 3.32Å; V147-T150 PolarHBondContact O-OG1 3.48Å; L148-T150 VanDerWaalsContact C-N 3.31Å; L148-T150 PolarHBondContact O-N 3.48Å; T150-Q155 HydrophobicContact CG2-CB 4.28Å; T150-R156 HydrophobicContact CG2-CG 4.25Å; T150-R156 WeakPolarHBondContact OG1-CG 3.38Å; T150-S159 WeakPolarHBondContact CG2-OG 3.27Å
151R90.5Very high93.3Very high231 Ų23168.6 Ų68.687%0.87236%0.364SS*.  trans-93.4-41.5-178.3-174.5177173.4-174.1-0.4112.3
152N93.3Very high93.4Very high55 Ų5568.2 Ų68.229%0.29437%0.371SS..SBendtrans-116.3166.3-175.768.525.2000112.3Y154 Q155 R156N152-Y154 VanDerWaalsContact C-N 3.31Å; N152-Y154 PolarHBondContact O-N 3.01Å; N152-Y154 PolarHBondContact OD1-N 3.39Å; N152-Q155 PolarHBondContact O-N 3.07Å; N152-Q155 WeakPolarHBondContact OD1-CB 3.48Å; N152-Q155 WeakPolarHBondContact OD1-CG 3.44Å; N152-Q155 PolarHBondContact OD1-N 3.42Å; N152-R156 PolarHBondContact O-N 3.27Å; N152-R156 VanDerWaalsContact O-N 3.15Å
153E95.7Very high93.6Very high86 Ų8663.7 Ų63.740%0.40234%0.341SS..Hα-helixtrans-61.7-38.9179.6-169.7-171.2169.600112.4Q155 R156 V157 L188E153-Q155 PolarHBondContact O-N 2.91Å; E153-R156 WeakPolarHBondContact O-CB 3.32Å; E153-R156 PolarHBondContact O-N 2.83Å; E153-R156 VanDerWaalsContact O-N 3.14Å; E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.48Å; E153-L188 HydrophobicContact CB-CD1 4.25Å; E153-L188 HydrophobicContact CG-CD1 3.82Å
154Y96.5Very high93.8Very high54 Ų5466.6 Ų66.621%0.21235%0.352CS..Hα-helixtrans-60.4-45.1178.8177.2-112.5000112.1N152 R156 V157 C158 Q185 L188 F189N152-Y154 VanDerWaalsContact C-N 3.31Å; N152-Y154 PolarHBondContact O-N 3.01Å; N152-Y154 PolarHBondContact OD1-N 3.39Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 3.49Å; Y154-V157 PolarHBondContact O-N 3.13Å; Y154-C158 VanDerWaalsContact CE2-SG 3.59Å; Y154-C158 WeakPolarHBondContact O-CB 3.31Å; Y154-C158 PolarHBondContact O-N 3.15Å; Y154-C158 PolarHBondContact O-SG 2.86Å; Y154-Q185 HydrophobicContact CE2-CG 4.09Å; Y154-L188 HydrophobicContact CD2-CB 3.67Å; Y154-L188 HydrophobicContact CG-CB 4.31Å; Y154-F189 HydrophobicContact CE2-CB 3.85Å; Y154-F189 HydrophobicContact CE2-CD2 4.42Å; Y154-F189 AromaticContact CZ-CD2 3.98Å; Y154-F189 WeakPolarHBondContact OH-CD2 3.48Å
155Q96.1Very high93.9Very high82 Ų8266.9 Ų66.938%0.38336%0.36SS..Hα-helixtrans-63.5-37.2175.3-74.8167.5-10.300111.6T150 N152 E153 S159T150-Q155 HydrophobicContact CG2-CB 4.28Å; N152-Q155 PolarHBondContact O-N 3.07Å; N152-Q155 WeakPolarHBondContact OD1-CB 3.48Å; N152-Q155 WeakPolarHBondContact OD1-CG 3.44Å; N152-Q155 PolarHBondContact OD1-N 3.42Å; E153-Q155 PolarHBondContact O-N 2.91Å; Q155-S159 VanDerWaalsContact O-CB 3.27Å; Q155-S159 WeakPolarHBondContact O-CB 3.43Å; Q155-S159 PolarHBondContact O-N 3.41Å; Q155-S159 PolarHBondContact O-OG 3.37Å
156R96.9Very high94.3Very high86 Ų8664.1 Ų64.133%0.32534%0.34SS..Hα-helixtrans-61.8-49.1173.7-76.4-172.2-65.7-101.98.2111.9T150 N152 E153 Y154 S159 R160T150-R156 HydrophobicContact CG2-CG 4.25Å; T150-R156 WeakPolarHBondContact OG1-CG 3.38Å; N152-R156 PolarHBondContact O-N 3.27Å; N152-R156 VanDerWaalsContact O-N 3.15Å; E153-R156 WeakPolarHBondContact O-CB 3.32Å; E153-R156 PolarHBondContact O-N 2.83Å; E153-R156 VanDerWaalsContact O-N 3.14Å; Y154-R156 VanDerWaalsContact C-N 3.32Å; Y154-R156 PolarHBondContact O-N 3.49Å; R156-S159 PolarHBondContact O-N 3.24Å; R156-R160 WeakPolarHBondContact O-CB 3.43Å; R156-R160 PolarHBondContact O-N 3.01Å
157V97.2Very high94.6Very high2 Ų262 Ų621%0.01233%0.334CS..Hα-helixtrans-62-46178.6173.40000110.4E153 Y154 S159 R160 L161 L184 Q185 L188E153-V157 WeakPolarHBondContact O-CG2 3.47Å; E153-V157 PolarHBondContact O-N 3.48Å; Y154-V157 PolarHBondContact O-N 3.13Å; V157-S159 PolarHBondContact O-N 3.28Å; V157-R160 PolarHBondContact O-N 3.05Å; V157-L161 HydrophobicContact CG1-CD1 3.89Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 WeakPolarHBondContact O-CG 3.26Å; V157-L161 PolarHBondContact O-N 3.01Å; V157-L184 HydrophobicContact CG2-CD2 3.66Å; V157-L184 HydrophobicContact CG2-CG 4.14Å; V157-Q185 HydrophobicContact CG1-CB 3.78Å; V157-Q185 HydrophobicContact CG1-CG 4.3Å; V157-L188 HydrophobicContact CG2-CD1 4.02Å
158C96.3Very high94.8Very high18 Ų1862 Ų6212%0.12234%0.339CS..Hα-helixtrans-62.8-41.6175.5-73.20000112.5Y154 R160 L161 N162 Q185Y154-C158 VanDerWaalsContact CE2-SG 3.59Å; Y154-C158 WeakPolarHBondContact O-CB 3.31Å; Y154-C158 PolarHBondContact O-N 3.15Å; Y154-C158 PolarHBondContact O-SG 2.86Å; C158-R160 VanDerWaalsContact C-N 3.26Å; C158-R160 PolarHBondContact O-N 3.27Å; C158-L161 PolarHBondContact O-N 3.29Å; C158-N162 WeakPolarHBondContact O-CB 3.38Å; C158-N162 PolarHBondContact O-N 3.34Å; C158-N162 PolarHBondContact O-ND2 3Å; C158-N162 PolarHBondContact O-OD1 2.91Å; C158-Q185 PolarHBondContact SG-NE2 3.09Å
159S95.9Very high95.1Very high42 Ų4265.5 Ų65.529%0.29435%0.349SS..Hα-helixtrans-64.8-33.7178.8-59.10000111.9W146 T150 Q155 R156 V157 N163W146-S159 VanDerWaalsContact O-CB 3.32Å; W146-S159 WeakPolarHBondContact O-CB 3.44Å; T150-S159 WeakPolarHBondContact CG2-OG 3.27Å; Q155-S159 VanDerWaalsContact O-CB 3.27Å; Q155-S159 WeakPolarHBondContact O-CB 3.43Å; Q155-S159 PolarHBondContact O-N 3.41Å; Q155-S159 PolarHBondContact O-OG 3.37Å; R156-S159 PolarHBondContact O-N 3.24Å; V157-S159 PolarHBondContact O-N 3.28Å; S159-N163 PolarHBondContact O-N 2.83Å
160R95.4Very high95.7Very high39 Ų3962.5 Ų62.515%0.14732%0.317CS..Hα-helixtrans-68.8-49.2173.9-165.6-176.4-57.6120.63.3111.6W146 R156 V157 C158 N162 N163 I166 E181W146-R160 HydrophobicContact CB-CB 4.41Å; W146-R160 HydrophobicContact CD2-CB 4.4Å; W146-R160 HydrophobicContact CD2-CG 4.45Å; W146-R160 HydrophobicContact CG-CB 4.34Å; W146-R160 HydrophobicContact CG-CG 4.45Å; R156-R160 WeakPolarHBondContact O-CB 3.43Å; R156-R160 PolarHBondContact O-N 3.01Å; V157-R160 PolarHBondContact O-N 3.05Å; C158-R160 VanDerWaalsContact C-N 3.26Å; C158-R160 PolarHBondContact O-N 3.27Å; R160-N162 VanDerWaalsContact C-N 3.29Å; R160-N162 PolarHBondContact O-N 2.75Å; R160-N163 PolarHBondContact O-N 3.44Å; R160-I166 HydrophobicContact CG-CD1 4.29Å; R160-I166 HydrophobicContact CG-CG2 3.71Å; R160-E181 IonicContact CZ-OE1 3.66Å; R160-E181 IonicContact NE-OE1 2.9Å; R160-E181 IonicContact NH1-OE1 3.38Å; R160-E181 PolarHBondContact NH1-OE1 3.46Å; R160-E181 IonicContact NH1-OE2 2.75Å; R160-E181 PolarHBondContact NH1-OE2 3.33Å
161L96.5Very high95.9Very high18 Ų1866.4 Ų66.49%0.09433%0.334CS..Hα-helixtrans-69.9-23.1179.2-70.1174.3000113.5V157 C158 N163 V167 E181 Y182 Q185V157-L161 HydrophobicContact CG1-CD1 3.89Å; V157-L161 HydrophobicContact CG1-CG 4.48Å; V157-L161 WeakPolarHBondContact O-CG 3.26Å; V157-L161 PolarHBondContact O-N 3.01Å; C158-L161 PolarHBondContact O-N 3.29Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-V167 WeakPolarHBondContact O-CG2 3.42Å; L161-E181 HydrophobicContact CD1-CB 4.42Å; L161-E181 HydrophobicContact CD2-CB 3.93Å; L161-E181 HydrophobicContact CG-CB 4.4Å; L161-Y182 HydrophobicContact CD1-CD1 4.07Å; L161-Y182 HydrophobicContact CD1-CE1 4.26Å; L161-Y182 HydrophobicContact CD2-CD1 4.35Å; L161-Y182 HydrophobicContact CD2-CE1 4.06Å; L161-Q185 HydrophobicContact CD1-CB 3.89Å; L161-Q185 HydrophobicContact CD1-CG 4.08Å
162N95.2Very high96.3Very high127 Ų12762.3 Ų62.368%0.67932%0.324SS*.THydrogen-bonded Turntrans-80.9-12.7174.7-72.1-10000112.6C158 R160 P164C158-N162 WeakPolarHBondContact O-CB 3.38Å; C158-N162 PolarHBondContact O-N 3.34Å; C158-N162 PolarHBondContact O-ND2 3Å; C158-N162 PolarHBondContact O-OD1 2.91Å; R160-N162 VanDerWaalsContact C-N 3.29Å; R160-N162 PolarHBondContact O-N 2.75Å; N162-P164 WeakPolarHBondContact O-CD 3.44Å
163N95.4Very high96.5Very high50 Ų5065.4 Ų65.427%0.26734%0.336SS..  trans-88.1109.8177.4-174.2-36.4000109.6S159 R160 L161 A165 I166 V167S159-N163 PolarHBondContact O-N 2.83Å; R160-N163 PolarHBondContact O-N 3.44Å; L161-N163 VanDerWaalsContact C-N 3.31Å; N163-A165 VanDerWaalsContact C-N 3.28Å; N163-A165 PolarHBondContact O-N 3.01Å; N163-A165 WeakPolarHBondContact OD1-CB 3.36Å; N163-A165 PolarHBondContact OD1-N 2.93Å; N163-A165 VanDerWaalsContact OD1-N 3.09Å; N163-I166 HydrophobicContact CB-CB 4.26Å; N163-I166 HydrophobicContact CB-CD1 3.84Å; N163-I166 HydrophobicContact CB-CG1 4.03Å; N163-I166 PolarHBondContact O-N 3.46Å; N163-I166 PolarHBondContact OD1-N 3.16Å; N163-V167 WeakPolarHBondContact O-CG2 3.35Å; N163-V167 PolarHBondContact O-N 3.08Å; N163-V167 VanDerWaalsContact O-N 3.07Å
164P96.1Very high96.6Very high103 Ų10364.6 Ų64.667%0.66933%0.332SS*.Hα-helixtrans-65.1-30.8-173.526.7-34.9000112.7N162 I166 V167 A168N162-P164 WeakPolarHBondContact O-CD 3.44Å; P164-I166 VanDerWaalsContact C-N 3.35Å; P164-V167 PolarHBondContact O-N 3.4Å; P164-A168 VanDerWaalsContact O-CB 3.27Å; P164-A168 WeakPolarHBondContact O-CB 3.21Å; P164-A168 PolarHBondContact O-N 3.15Å
165A95.9Very high96.6Very high69 Ų6965.6 Ų65.657%0.5735%0.345SS*.Hα-helixtrans-66.9-39.3178.300000111.5N163 W169N163-A165 VanDerWaalsContact C-N 3.28Å; N163-A165 PolarHBondContact O-N 3.01Å; N163-A165 WeakPolarHBondContact OD1-CB 3.36Å; N163-A165 PolarHBondContact OD1-N 2.93Å; N163-A165 VanDerWaalsContact OD1-N 3.09Å; A165-W169 WeakPolarHBondContact O-CB 3.4Å; A165-W169 PolarHBondContact O-N 2.72Å; A165-W169 VanDerWaalsContact O-N 3.07Å
166I95.9Very high96.7Very high35 Ų3566.2 Ų66.218%0.17936%0.359CS..Hα-helixtrans-70.5-42.7177.5-58.8176.7000110.1W146 R160 N163 P164 W169 M170W146-I166 HydrophobicContact CB-CD1 4.44Å; W146-I166 HydrophobicContact CG-CD1 4.05Å; R160-I166 HydrophobicContact CG-CD1 4.29Å; R160-I166 HydrophobicContact CG-CG2 3.71Å; N163-I166 HydrophobicContact CB-CB 4.26Å; N163-I166 HydrophobicContact CB-CD1 3.84Å; N163-I166 HydrophobicContact CB-CG1 4.03Å; N163-I166 PolarHBondContact O-N 3.46Å; N163-I166 PolarHBondContact OD1-N 3.16Å; P164-I166 VanDerWaalsContact C-N 3.35Å; I166-W169 PolarHBondContact O-N 3.07Å; I166-M170 HydrophobicContact CG2-CG 4.29Å; I166-M170 HydrophobicContact CG2-SD 3.78Å; I166-M170 WeakPolarHBondContact O-CB 3.5Å; I166-M170 WeakPolarHBondContact O-CG 3.5Å; I166-M170 PolarHBondContact O-N 3.23Å
167V97Very high96.7Very high17 Ų1766.8 Ų66.810%0.10336%0.363CS..Hα-helixtrans-61-49.9177.2171.70000111L161 N163 P164 W169 M170 E171 L178L161-V167 WeakPolarHBondContact O-CG2 3.42Å; N163-V167 WeakPolarHBondContact O-CG2 3.35Å; N163-V167 PolarHBondContact O-N 3.08Å; N163-V167 VanDerWaalsContact O-N 3.07Å; P164-V167 PolarHBondContact O-N 3.4Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-W169 PolarHBondContact O-N 3.04Å; V167-M170 PolarHBondContact O-N 3.1Å; V167-M170 VanDerWaalsContact O-N 3.13Å; V167-E171 HydrophobicContact CG1-CG 4.37Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.39Å; V167-E171 WeakPolarHBondContact O-CG 3.29Å; V167-E171 PolarHBondContact O-N 3.31Å; V167-L178 HydrophobicContact CG1-CD1 4.11Å
168A97.4Very high96.7Very high50 Ų5067.5 Ų67.541%0.41337%0.367SS..Hα-helixtrans-58.7-44178.300000111.9P164 M170 E171 E172P164-A168 VanDerWaalsContact O-CB 3.27Å; P164-A168 WeakPolarHBondContact O-CB 3.21Å; P164-A168 PolarHBondContact O-N 3.15Å; A168-M170 PolarHBondContact O-N 2.8Å; A168-E171 PolarHBondContact O-N 3.14Å; A168-E172 PolarHBondContact O-N 3.47Å
169W97.2Very high96.8Very high120 Ų12069.9 Ų69.946%0.45538%0.381SS..Hα-helixtrans-62.9-42.1175.7-175.689.1000112.2A165 I166 V167 E171 E172 F173 E174A165-W169 WeakPolarHBondContact O-CB 3.4Å; A165-W169 PolarHBondContact O-N 2.72Å; A165-W169 VanDerWaalsContact O-N 3.07Å; I166-W169 PolarHBondContact O-N 3.07Å; V167-W169 VanDerWaalsContact C-N 3.33Å; V167-W169 PolarHBondContact O-N 3.04Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3.41Å; W169-E172 PolarHBondContact O-N 2.76Å; W169-F173 AromaticContact CD1-CD2 3.34Å; W169-F173 AromaticContact CD1-CE2 3.56Å; W169-F173 HydrophobicContact CD2-CD2 4.05Å; W169-F173 AromaticContact CE2-CD2 3.77Å; W169-F173 AromaticContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CE2 4.35Å; W169-F173 HydrophobicContact CZ2-CB 4.21Å; W169-F173 AromaticContact NE1-CD2 3.31Å; W169-F173 VanDerWaalsContact NE1-CD2 3.31Å; W169-F173 AromaticContact NE1-CE2 3.71Å; W169-F173 WeakPolarHBondContact O-CB 3.32Å; W169-F173 WeakPolarHBondContact O-CD2 3.3Å; W169-F173 PolarHBondContact O-N 3.17Å; W169-E174 HydrophobicContact CH2-CG 3.89Å; W169-E174 HydrophobicContact CZ3-CB 4.38Å; W169-E174 HydrophobicContact CZ3-CG 3.92Å; W169-E174 VanDerWaalsContact CZ3-OE2 3.3Å; W169-E174 WeakPolarHBondContact CZ3-OE2 2.88Å
170M97.4Very high96.9Very high4 Ų470.3 Ų70.32%0.0239%0.387CS..Hα-helixtrans-68.5-32.9177-68.9177.17500112I166 V167 A168 E174 P175 K177 L178 E181I166-M170 HydrophobicContact CG2-CG 4.29Å; I166-M170 HydrophobicContact CG2-SD 3.78Å; I166-M170 WeakPolarHBondContact O-CB 3.5Å; I166-M170 WeakPolarHBondContact O-CG 3.5Å; I166-M170 PolarHBondContact O-N 3.23Å; V167-M170 PolarHBondContact O-N 3.1Å; V167-M170 VanDerWaalsContact O-N 3.13Å; A168-M170 PolarHBondContact O-N 2.8Å; M170-E174 CarbonylContact O-C 3.6Å; M170-E174 WeakPolarHBondContact O-CA 3.45Å; M170-E174 PolarHBondContact O-N 2.8Å; M170-E174 VanDerWaalsContact O-O 3.12Å; M170-P175 WeakPolarHBondContact O-CA 3.39Å; M170-K177 HydrophobicContact CE-CB 3.89Å; M170-K177 HydrophobicContact CE-CD 3.79Å; M170-K177 HydrophobicContact CE-CG 3.53Å; M170-L178 HydrophobicContact CB-CB 4.16Å; M170-L178 HydrophobicContact CB-CD1 3.72Å; M170-E181 HydrophobicContact CE-CG 3.54Å
171E97.1Very high97Very high106 Ų10669.3 Ų69.350%0.49538%0.384SS..Hα-helixtrans-66.6-42.8175-76.4174.9175.300111.8V167 A168 W169 L178V167-E171 HydrophobicContact CG1-CG 4.37Å; V167-E171 WeakPolarHBondContact CG1-OE1 3.39Å; V167-E171 WeakPolarHBondContact O-CG 3.29Å; V167-E171 PolarHBondContact O-N 3.31Å; A168-E171 PolarHBondContact O-N 3.14Å; W169-E171 VanDerWaalsContact C-N 3.33Å; W169-E171 PolarHBondContact O-N 3.41Å; E171-L178 HydrophobicContact CG-CD1 3.88Å; E171-L178 HydrophobicContact CG-CD2 3.7Å; E171-L178 HydrophobicContact CG-CG 4.41Å
172E97.5Very high97.1Very high145 Ų14573 Ų7368%0.67840%0.397SS*.Hα-helixtrans-74.8-47.2-179-173.2172.3-170.300112.5A168 W169A168-E172 PolarHBondContact O-N 3.47Å; W169-E172 PolarHBondContact O-N 2.76Å
173F98Very high97.2Very high121 Ų12174 Ų7453%0.53140%0.396SS..Hα-helixtrans-104.4-31.9-169.2-60.9-74.7000114.5W169W169-F173 AromaticContact CD1-CD2 3.34Å; W169-F173 AromaticContact CD1-CE2 3.56Å; W169-F173 HydrophobicContact CD2-CD2 4.05Å; W169-F173 AromaticContact CE2-CD2 3.77Å; W169-F173 AromaticContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CD2 3.8Å; W169-F173 HydrophobicContact CG-CE2 4.35Å; W169-F173 HydrophobicContact CZ2-CB 4.21Å; W169-F173 AromaticContact NE1-CD2 3.31Å; W169-F173 VanDerWaalsContact NE1-CD2 3.31Å; W169-F173 AromaticContact NE1-CE2 3.71Å; W169-F173 WeakPolarHBondContact O-CB 3.32Å; W169-F173 WeakPolarHBondContact O-CD2 3.3Å; W169-F173 PolarHBondContact O-N 3.17Å
174E96.8Very high97.4Very high68 Ų6874.2 Ų74.232%0.31840%0.397SS..  trans-136.957.5-171.7-63.5-170.1152.700113.5W169 M170 S176 K177 L178W169-E174 HydrophobicContact CH2-CG 3.89Å; W169-E174 HydrophobicContact CZ3-CB 4.38Å; W169-E174 HydrophobicContact CZ3-CG 3.92Å; W169-E174 VanDerWaalsContact CZ3-OE2 3.3Å; W169-E174 WeakPolarHBondContact CZ3-OE2 2.88Å; M170-E174 CarbonylContact O-C 3.6Å; M170-E174 WeakPolarHBondContact O-CA 3.45Å; M170-E174 PolarHBondContact O-N 2.8Å; M170-E174 VanDerWaalsContact O-O 3.12Å; E174-S176 PolarHBondContact O-N 3.15Å; E174-S176 VanDerWaalsContact O-N 3.15Å; E174-K177 HydrophobicContact CB-CB 3.98Å; E174-K177 HydrophobicContact CB-CD 4.4Å; E174-K177 WeakPolarHBondContact O-CB 3.36Å; E174-K177 PolarHBondContact O-N 2.72Å; E174-K177 WeakPolarHBondContact OE2-CD 3.35Å; E174-K177 WeakPolarHBondContact OE2-CE 3.47Å; E174-K177 IonicContact OE2-NZ 3.53Å; E174-K177 PolarHBondContact OE2-NZ 3.37Å; E174-L178 PolarHBondContact O-N 3.22Å; E174-L178 VanDerWaalsContact O-N 3.15Å
175P97.7Very high97.5Very high75 Ų7571.7 Ų71.749%0.48738%0.376SS..Hα-helixtrans-62.4-31.2-172.523.3-34.5000112.7M170 K177 L178 T179M170-P175 WeakPolarHBondContact O-CA 3.39Å; P175-K177 VanDerWaalsContact C-N 3.31Å; P175-K177 PolarHBondContact O-N 2.81Å; P175-L178 WeakPolarHBondContact O-CB 3.49Å; P175-L178 PolarHBondContact O-N 2.97Å; P175-T179 WeakPolarHBondContact O-CG2 3.44Å; P175-T179 PolarHBondContact O-N 3.46Å
176S98Very high97.5Very high96 Ų9676.7 Ų76.767%0.67138%0.38SS*.Hα-helixtrans-58.1-44173.2-1790000111.6E174 T179 A180E174-S176 PolarHBondContact O-N 3.15Å; E174-S176 VanDerWaalsContact O-N 3.15Å; S176-T179 PolarHBondContact O-N 3.05Å; S176-T179 PolarHBondContact O-OG1 3.12Å; S176-A180 PolarHBondContact O-N 2.78Å
177K97.1Very high97.6Very high97 Ų9781.2 Ų81.242%0.42240%0.396SS..Hα-helixtrans-68.4-39.9179.2-166.8-178.1177.3173.20111.4M170 E174 P175 T179 A180 E181M170-K177 HydrophobicContact CE-CB 3.89Å; M170-K177 HydrophobicContact CE-CD 3.79Å; M170-K177 HydrophobicContact CE-CG 3.53Å; E174-K177 HydrophobicContact CB-CB 3.98Å; E174-K177 HydrophobicContact CB-CD 4.4Å; E174-K177 WeakPolarHBondContact O-CB 3.36Å; E174-K177 PolarHBondContact O-N 2.72Å; E174-K177 WeakPolarHBondContact OE2-CD 3.35Å; E174-K177 WeakPolarHBondContact OE2-CE 3.47Å; E174-K177 IonicContact OE2-NZ 3.53Å; E174-K177 PolarHBondContact OE2-NZ 3.37Å; P175-K177 VanDerWaalsContact C-N 3.31Å; P175-K177 PolarHBondContact O-N 2.81Å; K177-T179 VanDerWaalsContact C-N 3.32Å; K177-T179 PolarHBondContact O-N 3.35Å; K177-A180 CarbonylContact O-C 3.57Å; K177-A180 WeakPolarHBondContact O-CA 3.43Å; K177-A180 WeakPolarHBondContact O-CB 3.38Å; K177-A180 PolarHBondContact O-N 3.1Å; K177-A180 VanDerWaalsContact O-N 3.09Å; K177-E181 WeakPolarHBondContact O-CG 3.33Å; K177-E181 PolarHBondContact O-N 3.24Å
178L97.7Very high97.6Very high18 Ų1880.6 Ų80.69%0.09439%0.392CS..Hα-helixtrans-54.7-47.9171.5-170.498.8000111.5V167 M170 E171 E174 P175 A180 E181 Y182V167-L178 HydrophobicContact CG1-CD1 4.11Å; M170-L178 HydrophobicContact CB-CB 4.16Å; M170-L178 HydrophobicContact CB-CD1 3.72Å; E171-L178 HydrophobicContact CG-CD1 3.88Å; E171-L178 HydrophobicContact CG-CD2 3.7Å; E171-L178 HydrophobicContact CG-CG 4.41Å; E174-L178 PolarHBondContact O-N 3.22Å; E174-L178 VanDerWaalsContact O-N 3.15Å; P175-L178 WeakPolarHBondContact O-CB 3.49Å; P175-L178 PolarHBondContact O-N 2.97Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.01Å; L178-E181 PolarHBondContact O-N 3.43Å; L178-Y182 HydrophobicContact CD1-CE2 4.27Å; L178-Y182 HydrophobicContact CD2-CD2 4.24Å; L178-Y182 HydrophobicContact CD2-CE2 3.64Å; L178-Y182 HydrophobicContact CG-CD2 4.08Å; L178-Y182 HydrophobicContact CG-CE2 3.64Å; L178-Y182 VanDerWaalsContact O-CD2 3.26Å; L178-Y182 WeakPolarHBondContact O-CD2 3.45Å; L178-Y182 PolarHBondContact O-N 3.49Å
179T97.8Very high97.5Very high67 Ų6783.2 Ų83.241%0.41139%0.394SS..Hα-helixtrans-63.6-35.7176.969.10000112.5P175 S176 K177 K183P175-T179 WeakPolarHBondContact O-CG2 3.44Å; P175-T179 PolarHBondContact O-N 3.46Å; S176-T179 PolarHBondContact O-N 3.05Å; S176-T179 PolarHBondContact O-OG1 3.12Å; K177-T179 VanDerWaalsContact C-N 3.32Å; K177-T179 PolarHBondContact O-N 3.35Å; T179-K183 VanDerWaalsContact O-CG 3.29Å; T179-K183 WeakPolarHBondContact O-CG 3.41Å; T179-K183 PolarHBondContact O-N 3.35Å
180A98.1Very high97.2Very high51 Ų5183.7 Ų83.742%0.42140%0.399SS..Hα-helixtrans-66.4-41.2175.600000111.9S176 K177 L178 K183 L184S176-A180 PolarHBondContact O-N 2.78Å; K177-A180 CarbonylContact O-C 3.57Å; K177-A180 WeakPolarHBondContact O-CA 3.43Å; K177-A180 WeakPolarHBondContact O-CB 3.38Å; K177-A180 PolarHBondContact O-N 3.1Å; K177-A180 VanDerWaalsContact O-N 3.09Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.01Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3.22Å; A180-L184 WeakPolarHBondContact O-CB 3.05Å; A180-L184 PolarHBondContact O-N 3.11Å
181E97.7Very high96.9Very high19 Ų1988.8 Ų88.89%0.08942%0.421CS..Hα-helixtrans-61.5-45.1175-69.4-68178.800111.7R160 L161 M170 K177 L178 K183 L184 Q185R160-E181 IonicContact CZ-OE1 3.66Å; R160-E181 IonicContact NE-OE1 2.9Å; R160-E181 IonicContact NH1-OE1 3.38Å; R160-E181 PolarHBondContact NH1-OE1 3.46Å; R160-E181 IonicContact NH1-OE2 2.75Å; R160-E181 PolarHBondContact NH1-OE2 3.33Å; L161-E181 HydrophobicContact CD1-CB 4.42Å; L161-E181 HydrophobicContact CD2-CB 3.93Å; L161-E181 HydrophobicContact CG-CB 4.4Å; M170-E181 HydrophobicContact CE-CG 3.54Å; K177-E181 WeakPolarHBondContact O-CG 3.33Å; K177-E181 PolarHBondContact O-N 3.24Å; L178-E181 PolarHBondContact O-N 3.43Å; E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K183 PolarHBondContact O-N 3.47Å; E181-L184 PolarHBondContact O-N 3.38Å; E181-Q185 WeakPolarHBondContact O-CB 3.01Å; E181-Q185 PolarHBondContact O-N 2.94Å
182Y98.2Very high96.5Very high95 Ų9587.1 Ų87.137%0.37342%0.418SS..Hα-helixtrans-62.7-40.6175.6-75.6-55.7000112.5L161 L178 L184 R186L161-Y182 HydrophobicContact CD1-CD1 4.07Å; L161-Y182 HydrophobicContact CD1-CE1 4.26Å; L161-Y182 HydrophobicContact CD2-CD1 4.35Å; L161-Y182 HydrophobicContact CD2-CE1 4.06Å; L178-Y182 HydrophobicContact CD1-CE2 4.27Å; L178-Y182 HydrophobicContact CD2-CD2 4.24Å; L178-Y182 HydrophobicContact CD2-CE2 3.64Å; L178-Y182 HydrophobicContact CG-CD2 4.08Å; L178-Y182 HydrophobicContact CG-CE2 3.64Å; L178-Y182 VanDerWaalsContact O-CD2 3.26Å; L178-Y182 WeakPolarHBondContact O-CD2 3.45Å; L178-Y182 PolarHBondContact O-N 3.49Å; Y182-L184 VanDerWaalsContact C-N 3.34Å; Y182-R186 WeakPolarHBondContact O-CB 3.35Å; Y182-R186 PolarHBondContact O-N 3.09Å
183K98.2Very high96Very high148 Ų14884.6 Ų84.664%0.64341%0.409SS*.Hα-helixtrans-61.7-44.6173.7-74171.4-175.7172.80110.7T179 A180 E181 R186 Y187T179-K183 VanDerWaalsContact O-CG 3.29Å; T179-K183 WeakPolarHBondContact O-CG 3.41Å; T179-K183 PolarHBondContact O-N 3.35Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3.22Å; E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K183 PolarHBondContact O-N 3.47Å; K183-R186 PolarHBondContact O-N 3.15Å; K183-Y187 WeakPolarHBondContact O-CB 3.02Å; K183-Y187 PolarHBondContact O-N 2.94Å
184L98.2Very high95.2Very high55 Ų5584.8 Ų84.829%0.28841%0.41SS..Hα-helixtrans-64.6-45.9179-176.761.9000111.4V157 A180 E181 Y182 R186 Y187 L188V157-L184 HydrophobicContact CG2-CD2 3.66Å; V157-L184 HydrophobicContact CG2-CG 4.14Å; A180-L184 WeakPolarHBondContact O-CB 3.05Å; A180-L184 PolarHBondContact O-N 3.11Å; E181-L184 PolarHBondContact O-N 3.38Å; Y182-L184 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.46Å; L184-Y187 HydrophobicContact CD1-CD1 4.27Å; L184-Y187 PolarHBondContact O-N 3.03Å; L184-L188 HydrophobicContact CD1-CD1 3.99Å; L184-L188 HydrophobicContact CD1-CG 3.97Å; L184-L188 HydrophobicContact CD2-CD1 4.46Å; L184-L188 HydrophobicContact CG-CD1 3.83Å; L184-L188 HydrophobicContact CG-CG 4.22Å; L184-L188 WeakPolarHBondContact O-CB 3.15Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.28Å
185Q97.7Very high93.9Very high49 Ų4993.2 Ų93.223%0.22944%0.439CS..Hα-helixtrans-55.7-46.7175.5-170.3-169.428.100110.9Y154 V157 C158 L161 E181 L188 F189Y154-Q185 HydrophobicContact CE2-CG 4.09Å; V157-Q185 HydrophobicContact CG1-CB 3.78Å; V157-Q185 HydrophobicContact CG1-CG 4.3Å; C158-Q185 PolarHBondContact SG-NE2 3.09Å; L161-Q185 HydrophobicContact CD1-CB 3.89Å; L161-Q185 HydrophobicContact CD1-CG 4.08Å; E181-Q185 WeakPolarHBondContact O-CB 3.01Å; E181-Q185 PolarHBondContact O-N 2.94Å; Q185-L188 PolarHBondContact O-N 3.47Å; Q185-F189 VanDerWaalsContact O-CB 3.26Å; Q185-F189 WeakPolarHBondContact O-CB 3.29Å; Q185-F189 PolarHBondContact O-N 3.36Å
186R97.4Very high92.4Very high174 Ų17496.4 Ų96.466%0.65745%0.445SS*.Hα-helixtrans-65.3-42178.8-169.4-178.1-63178.4-0.3112Y182 K183 L184 K190Y182-R186 WeakPolarHBondContact O-CB 3.35Å; Y182-R186 PolarHBondContact O-N 3.09Å; K183-R186 PolarHBondContact O-N 3.15Å; L184-R186 VanDerWaalsContact C-N 3.3Å; L184-R186 PolarHBondContact O-N 3.46Å; R186-K190 WeakPolarHBondContact O-CG 3.07Å; R186-K190 PolarHBondContact O-N 3.21Å
187Y97.2Very high90.6Very high131 Ų13195.3 Ų95.351%0.51443%0.432SS..Hα-helixtrans-62.7-50.4175.6166.3-100.8000111.4K183 L184 F189 K190 K191K183-Y187 WeakPolarHBondContact O-CB 3.02Å; K183-Y187 PolarHBondContact O-N 2.94Å; L184-Y187 HydrophobicContact CD1-CD1 4.27Å; L184-Y187 PolarHBondContact O-N 3.03Å; Y187-F189 PolarHBondContact O-N 3.31Å; Y187-K190 PolarHBondContact O-N 3.1Å; Y187-K191 HydrophobicContact CE1-CD 3.83Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 PolarHBondContact O-N 3.13Å; Y187-K191 PolarHBondContact OH-NZ 3.27Å
188L96.5Very high89.1Confident4 Ų498.2 Ų98.22%0.02145%0.45CS..Hα-helixtrans-65.3-39-179-71.2178.2000111.8E153 Y154 V157 L184 Q185 K190 K191 V192E153-L188 HydrophobicContact CB-CD1 4.25Å; E153-L188 HydrophobicContact CG-CD1 3.82Å; Y154-L188 HydrophobicContact CD2-CB 3.67Å; Y154-L188 HydrophobicContact CG-CB 4.31Å; V157-L188 HydrophobicContact CG2-CD1 4.02Å; L184-L188 HydrophobicContact CD1-CD1 3.99Å; L184-L188 HydrophobicContact CD1-CG 3.97Å; L184-L188 HydrophobicContact CD2-CD1 4.46Å; L184-L188 HydrophobicContact CG-CD1 3.83Å; L184-L188 HydrophobicContact CG-CG 4.22Å; L184-L188 WeakPolarHBondContact O-CB 3.15Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.27Å; L184-L188 PolarHBondContact O-N 3.28Å; Q185-L188 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 3.21Å; L188-K191 HydrophobicContact CD2-CD 4.35Å; L188-K191 PolarHBondContact O-N 3.43Å; L188-V192 WeakPolarHBondContact O-CB 3.32Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 2.97Å
189F95.5Very high87.8Confident105 Ų105106 Ų10646%0.46148%0.483SS..Hα-helixtrans-56.1-48.3173.6178.1-97.9000111.2Y154 Q185 Y187 N193Y154-F189 HydrophobicContact CE2-CB 3.85Å; Y154-F189 HydrophobicContact CE2-CD2 4.42Å; Y154-F189 AromaticContact CZ-CD2 3.98Å; Y154-F189 WeakPolarHBondContact OH-CD2 3.48Å; Q185-F189 VanDerWaalsContact O-CB 3.26Å; Q185-F189 WeakPolarHBondContact O-CB 3.29Å; Q185-F189 PolarHBondContact O-N 3.36Å; Y187-F189 PolarHBondContact O-N 3.31Å; F189-N193 WeakPolarHBondContact CD2-ND2 3.13Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.13Å; F189-N193 VanDerWaalsContact O-CB 3.29Å; F189-N193 WeakPolarHBondContact O-CB 3.35Å; F189-N193 PolarHBondContact O-N 3.4Å; F189-N193 VanDerWaalsContact O-N 3.1Å; F189-N193 PolarHBondContact O-ND2 2.92Å
190K92.2Very high86.2Confident129 Ų129107.2 Ų107.256%0.56148%0.483SS*.Hα-helixtrans-62.3-46.6175.1-68.7176.5-178.9-174.80111.1R186 Y187 L188 K194R186-K190 WeakPolarHBondContact O-CG 3.07Å; R186-K190 PolarHBondContact O-N 3.21Å; Y187-K190 PolarHBondContact O-N 3.1Å; L188-K190 VanDerWaalsContact C-N 3.33Å; L188-K190 PolarHBondContact O-N 3.21Å; K190-K194 VanDerWaalsContact O-CB 3.24Å; K190-K194 WeakPolarHBondContact O-CB 2.95Å; K190-K194 WeakPolarHBondContact O-CG 3.3Å; K190-K194 PolarHBondContact O-N 3.13Å
191K90.5Very high84.6Confident111 Ų111111.4 Ų111.448%0.48349%0.494SS..Hα-helixtrans-63.5-43.7-176.2-176.1-178.2-175.5173.40113.1Y187 L188Y187-K191 HydrophobicContact CE1-CD 3.83Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 PolarHBondContact O-N 3.13Å; Y187-K191 PolarHBondContact OH-NZ 3.27Å; L188-K191 HydrophobicContact CD2-CD 4.35Å; L188-K191 PolarHBondContact O-N 3.43Å
192V88.1Confident83.1Confident71 Ų71119.6 Ų119.643%0.4352%0.524SS..Hα-helixtrans-76.7-38.6-176.2175.40000111.1L188L188-V192 WeakPolarHBondContact O-CB 3.32Å; L188-V192 VanDerWaalsContact O-CG2 3.29Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 2.97Å
193N87.9Confident81.4Confident92 Ų92121.4 Ų121.449%0.49253%0.531SS..Hα-helixtrans-91.4-11.2-175.9-63.6-36.1000114.6F189 R195F189-N193 WeakPolarHBondContact CD2-ND2 3.13Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.13Å; F189-N193 VanDerWaalsContact O-CB 3.29Å; F189-N193 WeakPolarHBondContact O-CB 3.35Å; F189-N193 PolarHBondContact O-N 3.4Å; F189-N193 VanDerWaalsContact O-N 3.1Å; F189-N193 PolarHBondContact O-ND2 2.92Å; N193-R195 PolarHBondContact O-N 3.11Å
194K81.6Confident79.5Confident125 Ų125119.5 Ų119.554%0.54352%0.52SS..SBendtrans-59.6120.9168.2-90.7179.2173.9-154.80108.9K190 K196 D205K190-K194 VanDerWaalsContact O-CB 3.24Å; K190-K194 WeakPolarHBondContact O-CB 2.95Å; K190-K194 WeakPolarHBondContact O-CG 3.3Å; K190-K194 PolarHBondContact O-N 3.13Å; K194-K196 PolarHBondContact O-N 3.25Å; K194-K196 VanDerWaalsContact O-N 3.14Å; K194-D205 IonicContact NZ-OD1 2.8Å; K194-D205 PolarHBondContact NZ-OD1 2.95Å
195R68.2Low77.8Confident246 Ų246123 Ų12393%0.92854%0.539SS*.  trans-57.3120.4171.3-76.6-173.2178.5150.5-0.4108.6N193 N197N193-R195 PolarHBondContact O-N 3.11Å; R195-N197 PolarHBondContact O-N 3.46Å
196K65.9Low75.7Confident142 Ų142124.9 Ų124.962%0.61756%0.557SS**  trans-79.7106.3171.6-58.8-173.6176.6178.50106.9K194 I198 R204K194-K196 PolarHBondContact O-N 3.25Å; K194-K196 VanDerWaalsContact O-N 3.14Å; K196-I198 VanDerWaalsContact C-N 3.35Å; K196-I198 PolarHBondContact O-N 2.97Å; K196-R204 VanDerWaalsContact CG-NH2 3.29Å
197N60.6Low73.7Confident73 Ų73126 Ų12639%0.3959%0.587SS.*  trans-7295.3169-170.3-17.3000108.1R195 K199 F200R195-N197 PolarHBondContact O-N 3.46Å; N197-K199 PolarHBondContact O-N 3.43Å; N197-K199 PolarHBondContact OD1-N 3.03Å; N197-F200 CarbonylContact O-C 2.83Å; N197-F200 PolarHBondContact O-N 3.36Å; N197-F200 PolarHBondContact OD1-N 3.47Å
198I66.2Low72.5Confident158 Ų158125.7 Ų125.781%0.8159%0.591SS**SBendtrans-63.8-31.5-176.3-60.8165.4000110.8K196K196-I198 VanDerWaalsContact C-N 3.35Å; K196-I198 PolarHBondContact O-N 2.97Å
199K69.3Low71.3Confident181 Ų181132.1 Ų132.179%0.78762%0.621SS**SBendtrans-76.9-28.3-178.3-96.9-175.1172.8-178.60113.8N197N197-K199 PolarHBondContact O-N 3.43Å; N197-K199 PolarHBondContact OD1-N 3.03Å
200F64.2Low69.9Low92 Ų92133.6 Ų133.640%0.40463%0.629SS.*  trans-138.580.2-175.2-53.4-75.4000111.5N197 R202 Y203N197-F200 CarbonylContact O-C 2.83Å; N197-F200 PolarHBondContact O-N 3.36Å; N197-F200 PolarHBondContact OD1-N 3.47Å; F200-R202 PolarHBondContact O-N 3.42Å; F200-Y203 HydrophobicContact CB-CD2 3.44Å; F200-Y203 VanDerWaalsContact CB-CD2 3.44Å; F200-Y203 HydrophobicContact CB-CE2 4.09Å; F200-Y203 HydrophobicContact CB-CG 4.39Å; F200-Y203 HydrophobicContact CD1-CD2 4.2Å; F200-Y203 AromaticContact CD1-CE2 4Å; F200-Y203 HydrophobicContact CD1-CE2 4Å; F200-Y203 AromaticContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CE2 4.12Å; F200-Y203 PolarHBondContact O-N 3.32Å
201E64.3Low68.6Low140 Ų140133.9 Ų133.965%0.65463%0.634SS**G310 helixtrans-57.7-31175.4-70-166.813500112.6Y203 R204E201-Y203 VanDerWaalsContact C-N 3.31Å; E201-Y203 PolarHBondContact O-N 3.38Å; E201-R204 WeakPolarHBondContact O-CB 3.41Å; E201-R204 PolarHBondContact O-N 2.78Å; E201-R204 IonicContact OE1-NH1 3.91Å
202R67.4Low67.2Low191 Ų191135.3 Ų135.372%0.72164%0.643SS**G310 helixtrans-68.4-20.3-179.461.3-176.7-179.7-172.7-0.3115.4F200F200-R202 PolarHBondContact O-N 3.42Å
203Y61.9Low65.8Low133 Ų133139.6 Ų139.652%0.52266%0.657SS.*G310 helixtrans-9913.8178.8-58.4-60.3000113F200 E201 D205F200-Y203 HydrophobicContact CB-CD2 3.44Å; F200-Y203 VanDerWaalsContact CB-CD2 3.44Å; F200-Y203 HydrophobicContact CB-CE2 4.09Å; F200-Y203 HydrophobicContact CB-CG 4.39Å; F200-Y203 HydrophobicContact CD1-CD2 4.2Å; F200-Y203 AromaticContact CD1-CE2 4Å; F200-Y203 HydrophobicContact CD1-CE2 4Å; F200-Y203 AromaticContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CD2 3.85Å; F200-Y203 HydrophobicContact CG-CE2 4.12Å; F200-Y203 PolarHBondContact O-N 3.32Å; E201-Y203 VanDerWaalsContact C-N 3.31Å; E201-Y203 PolarHBondContact O-N 3.38Å; Y203-D205 VanDerWaalsContact C-N 3.34Å; Y203-D205 PolarHBondContact O-N 2.81Å
204R59.2Low64.3Low108 Ų108143 Ų14341%0.40867%0.669SS.*SBendtrans-63.9-32.3-174.3-115.2-179.6165.4139.3-0.5115.3K196 E201K196-R204 VanDerWaalsContact CG-NH2 3.29Å; E201-R204 WeakPolarHBondContact O-CB 3.41Å; E201-R204 PolarHBondContact O-N 2.78Å; E201-R204 IonicContact OE1-NH1 3.91Å
205D61.1Low62.9Low127 Ų127144.4 Ų144.468%0.67968%0.679SS**SBendtrans-132.517.8-169.8-62.2-55.8000112.6K194 Y203K194-D205 IonicContact NZ-OD1 2.8Å; K194-D205 PolarHBondContact NZ-OD1 2.95Å; Y203-D205 VanDerWaalsContact C-N 3.34Å; Y203-D205 PolarHBondContact O-N 2.81Å
206S54.9Low62.5Low89 Ų89135.9 Ų135.962%0.62266%0.658SS**  trans-72.3132.5168.2-109.70000109.4
207P54.7Low62.2Low197 Ų197135.4 Ų135.4100%1.27966%0.661SS**  trans-610178.125.5-32.8000112.9

Retrieved 207 of 207 residues in 69.2 ms (Link to these results)