A0A087Y8N1_POEFO Loading...

Paired box 3b

AlphaFold DB , UniProt , Accession A0A087Y8N1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low41.1Very low235 Ų235144 Ų144100%1.15885%0.852SS**  0167.60-78.7-178.9167.800109
2T41.2Very low41Very low140 Ų140145.1 Ų145.186%0.85985%0.845SS**  trans64.2107.3163.3-27.30000116.5
3A38.3Very low41.5Very low91 Ų91150.2 Ų150.275%0.75284%0.842SS**  trans-85167.5164.500000110.9
4L47.1Very low41.5Very low180 Ų180148.7 Ų148.794%0.94284%0.842SS**  trans-149.1149.1142.7-108.1172.8000109.6
5A41.2Very low41.4Very low91 Ų91146.3 Ų146.375%0.75283%0.831SS**PPolyproline II helixtrans-92.3142.8-167.300000113.1S7A5-S7 PolarHBondContact O-N 2.98Å
6G37.4Very low41.2Very low78 Ų78147.7 Ų147.780%0.80484%0.835SS**PPolyproline II helixtrans-68121.6168.500000111
7S42Very low41.1Very low115 Ų115143.9 Ų143.980%0.80483%0.826SS**PPolyproline II helixtrans-80.2123.2-178.544.10000111.9A5A5-S7 PolarHBondContact O-N 2.98Å
8V44.8Very low40.7Very low133 Ų133145.7 Ų145.781%0.80683%0.826SS**PPolyproline II helixtrans-66.8131.2171.8179.70000109.2R10V8-R10 PolarHBondContact O-N 2.66Å
9P43.9Very low40.5Very low116 Ų116146.4 Ų146.475%0.75383%0.827SS**PPolyproline II helixtrans-63.2127.8179.724.1-33.2000111.5M11P9-M11 PolarHBondContact O-N 3.1Å; P9-M11 VanDerWaalsContact O-N 3.1Å
10R39.6Very low40.2Very low220 Ų220149.2 Ų149.283%0.8383%0.825SS**  trans-67101.8-175.9-176.3-179.7-172.41630.6110.9V8 M12V8-R10 PolarHBondContact O-N 2.66Å; R10-M12 PolarHBondContact O-N 2.67Å
11M38.5Very low40Very low185 Ų185147.4 Ų147.491%0.91182%0.821SS**  trans-54.6114.2171.4-80.7176.960.900110.4P9P9-M11 PolarHBondContact O-N 3.1Å; P9-M11 VanDerWaalsContact O-N 3.1Å
12M39.7Very low40.1Very low157 Ų157147.9 Ų147.977%0.77381%0.81SS**  trans-70.3140.1175.1-76.9-64.9-176.800110.6R10 P14R10-M12 PolarHBondContact O-N 2.67Å; M12-P14 WeakPolarHBondContact O-CD 3.21Å
13R47.5Very low39.9Very low212 Ų212145.9 Ų145.980%0.880%0.802SS**  trans-83.9114178.9-178.8-171.3-169.6179.94.5109.4T15R13-T15 HydrophobicContact CG-CG2 4.3Å; R13-T15 PolarHBondContact O-N 3.38Å
14P41.3Very low39.7Very low129 Ų129144.4 Ų144.484%0.83880%0.795SS**  trans-71.1113.3174.9-15.832000109.8M12M12-P14 WeakPolarHBondContact O-CD 3.21Å
15T41.1Very low39.2Very low112 Ų112144.5 Ų144.569%0.68779%0.788SS**  trans-111.699.1169.850.10000109.7R13R13-T15 HydrophobicContact CG-CG2 4.3Å; R13-T15 PolarHBondContact O-N 3.38Å
16L38.4Very low39.2Very low169 Ų169145.1 Ų145.189%0.88578%0.784SS**  trans-149.5129.6161.4-129.5166.3000108.8
17A38.4Very low39.6Very low83 Ų83147.9 Ų147.969%0.68678%0.78SS**  trans-85.5117.1-176.400000110.6N19A17-N19 PolarHBondContact O-N 3.25Å
18Q34.9Very low39.7Very low177 Ų177149.9 Ų149.983%0.82778%0.776SS**  trans-79.3111.3163.5-78.3-178-45.300109.2Y20Q18-Y20 PolarHBondContact O-N 3.34Å
19N35.9Very low39.9Very low158 Ų158147 Ų14785%0.84576%0.759SS**  trans-65.1113.5171.4-82.4-58.5000110A17A17-N19 PolarHBondContact O-N 3.25Å
20Y35.7Very low39.9Very low202 Ų202146.7 Ų146.779%0.79276%0.76SS**  trans-86.3136.8155.5-88.4-91000109.1Q18 R22Q18-Y20 PolarHBondContact O-N 3.34Å; Y20-R22 PolarHBondContact O-N 3.25Å
21P35.2Very low40.7Very low113 Ų113138.9 Ų138.973%0.73474%0.737SS**  trans-62.6123.3-176.224.4-33.4000110.9S23P21-S23 VanDerWaalsContact C-N 3.26Å; P21-S23 PolarHBondContact O-N 3.04Å
22R41.1Very low41.2Very low245 Ų245134.9 Ų134.993%0.92572%0.724SS**  trans-75.577178.3-173.5-175.1178.2-163.1-0.7109.7Y20 G24Y20-R22 PolarHBondContact O-N 3.25Å; R22-G24 PolarHBondContact O-N 3.4Å
23S35.7Very low41.6Very low98 Ų98135.3 Ų135.369%0.68573%0.729SS**  trans-69.863.217361.20000111.4P21 F25P21-S23 VanDerWaalsContact C-N 3.26Å; P21-S23 PolarHBondContact O-N 3.04Å; S23-F25 VanDerWaalsContact C-N 3.33Å; S23-F25 PolarHBondContact O-N 3.24Å
24G33.5Very low42Very low59 Ų59129 Ų12961%0.60873%0.73SS**  trans-77.280.3178.900000110.9R22 P26R22-G24 PolarHBondContact O-N 3.4Å; G24-P26 VanDerWaalsContact O-CD 3.26Å; G24-P26 WeakPolarHBondContact O-CD 3.42Å
25F36.8Very low43.2Very low183 Ų183129 Ų12980%0.80372%0.719SS**  trans-62118155.9-75.5-82.8000107.9S23 L27S23-F25 VanDerWaalsContact C-N 3.33Å; S23-F25 PolarHBondContact O-N 3.24Å; F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 3.42Å
26P42.4Very low45Very low104 Ų104125.2 Ų125.268%0.67570%0.702SS**  trans-70.694.9168.830-31000106.9G24 E28G24-P26 VanDerWaalsContact O-CD 3.26Å; G24-P26 WeakPolarHBondContact O-CD 3.42Å; P26-E28 PolarHBondContact O-N 3.3Å
27L45.7Very low47.3Very low135 Ų135124.6 Ų124.671%0.70769%0.688SS**  trans-74.278.4172.7-155.983.2000108.1F25 V29F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 3.42Å; L27-V29 HydrophobicContact CD2-CG2 4.08Å; L27-V29 HydrophobicContact CG-CG2 4.38Å; L27-V29 PolarHBondContact O-N 3.16Å
28E43.9Very low49.9Very low157 Ų157125.3 Ų125.373%0.73468%0.684SS**  trans-6278.1170.4-80.7-60.2125.200109.2P26 S30P26-E28 PolarHBondContact O-N 3.3Å; E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 3.39Å; E28-S30 PolarHBondContact O-OG 3.49Å
29V49.4Very low52.7Low73 Ų73118.8 Ų118.844%0.44265%0.654SS.*  trans-64.898.6166.3171.80000106L27 T31L27-V29 HydrophobicContact CD2-CG2 4.08Å; L27-V29 HydrophobicContact CG-CG2 4.38Å; L27-V29 PolarHBondContact O-N 3.16Å; V29-T31 HydrophobicContact CG1-CG2 4.23Å; V29-T31 PolarHBondContact O-N 3.18Å
30S43Very low55.4Low110 Ų110121.1 Ų121.177%0.76966%0.66SS**  trans-65.871.5177.1-42.30000110.8E28 P32E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 3.39Å; E28-S30 PolarHBondContact O-OG 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.41Å
31T55.4Low58Low56 Ų56114.9 Ų114.934%0.34464%0.64SS.*  trans-63.8122.7163.8440000107.8V29 I46V29-T31 HydrophobicContact CG1-CG2 4.23Å; V29-T31 PolarHBondContact O-N 3.18Å; T31-I46 HydrophobicContact CG2-CD1 4.28Å
32P49.5Very low60.7Low100 Ų100111 Ų11165%0.64962%0.621SS**SBendtrans-56.7144.716924.9-33.1000109.6S30S30-P32 WeakPolarHBondContact O-CD 3.41Å
33L48.3Very low63.1Low166 Ų16699.8 Ų99.887%0.86958%0.581SS**THydrogen-bonded Turntrans-45.4135.5-149.8-72.568.3000115.7Q35L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.47Å
34G55.6Low65.8Low80 Ų8099.7 Ų99.783%0.82558%0.576SS**THydrogen-bonded Turntrans74.2-13.4154.500000118.9
35Q67.6Low68.7Low129 Ų129100.1 Ų100.160%0.60356%0.562SS**  trans-85.6-4.3-175.3-65.7-165.7-9.100115.5L33 R37L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.47Å; Q35-R37 PolarHBondContact O-N 3.09Å
36G77.8Confident71.3Confident32 Ų3293.6 Ų93.633%0.3354%0.535SS..EExtended strand (participates in β ladder)trans-71.8114.5177.200000112.2
37R88.1Confident73.5Confident156 Ų15693.3 Ų93.359%0.58953%0.527SS*.EExtended strand (participates in β ladder)trans-92.9148.8170.4-64.6-171.6-179.2-158.1-1.7110Q35 V44 F45Q35-R37 PolarHBondContact O-N 3.09Å; R37-V44 CarbonylContact O-C 3.55Å; R37-V44 WeakPolarHBondContact O-CA 3.39Å; R37-F45 HydrophobicContact CB-CD1 4.28Å; R37-F45 HydrophobicContact CB-CE1 3.72Å; R37-F45 HydrophobicContact CB-CE2 4.38Å; R37-F45 HydrophobicContact CB-CZ 3.79Å; R37-F45 PolarHBondContact N-O 3.16Å; R37-F45 WeakPolarHBondContact O-CD1 3.35Å; R37-F45 PolarHBondContact O-N 3.3Å
38V92.6Very high75.5Confident99 Ų9990.2 Ų90.260%0.653%0.528SS*.EExtended strand (participates in β ladder)trans-98137.6174-173.10000109.6G43V38-G43 WeakPolarHBondContact CA-O 3.25Å
39N92.6Very high77.8Confident40 Ų4090.9 Ų90.921%0.21452%0.524CS..PPolyproline II helixtrans-93.9172.7176.871.340.6000112.2L41 G42 G43 F45 R77N39-L41 PolarHBondContact O-N 3.42Å; N39-L41 WeakPolarHBondContact OD1-CA 3.18Å; N39-L41 WeakPolarHBondContact OD1-CB 3.25Å; N39-L41 PolarHBondContact OD1-N 3.18Å; N39-G42 PolarHBondContact O-N 2.71Å; N39-G42 PolarHBondContact OD1-N 3.41Å; N39-G43 VanDerWaalsContact CG-O 3.24Å; N39-G43 PolarHBondContact N-O 3.01Å; N39-G43 PolarHBondContact ND2-O 3.34Å; N39-G43 PolarHBondContact OD1-N 3.38Å; N39-G43 VanDerWaalsContact OD1-N 3.15Å; N39-F45 HydrophobicContact CB-CD1 3.94Å; N39-F45 HydrophobicContact CB-CE1 3.78Å; N39-R77 PolarHBondContact ND2-O 3.34Å; N39-R77 PolarHBondContact OD1-O 3.25Å
40Q93.3Very high79.9Confident207 Ų20790.5 Ų90.597%0.96752%0.523SS*.THydrogen-bonded Turntrans-60.8-11.4-179.5-69.9175.7-31.200115.3
41L91Very high82.4Confident71 Ų7186.8 Ų86.837%0.37249%0.494SS..THydrogen-bonded Turntrans-99.45.6174.8-56.1172.9000112.2N39 S73 R77 V78N39-L41 PolarHBondContact O-N 3.42Å; N39-L41 WeakPolarHBondContact OD1-CA 3.18Å; N39-L41 WeakPolarHBondContact OD1-CB 3.25Å; N39-L41 PolarHBondContact OD1-N 3.18Å; L41-S73 WeakPolarHBondContact CD1-O 3.11Å; L41-R77 HydrophobicContact CB-CB 4.14Å; L41-R77 WeakPolarHBondContact O-CB 3.24Å; L41-R77 VanDerWaalsContact O-CD 3.26Å; L41-R77 WeakPolarHBondContact O-CD 3.48Å; L41-R77 VanDerWaalsContact O-CG 3.29Å; L41-R77 WeakPolarHBondContact O-CG 3.28Å; L41-V78 WeakPolarHBondContact CD1-O 3.3Å
42G90.4Very high84.3Confident32 Ų3287 Ų8733%0.3350%0.496SS..SBendtrans74.621.4-176.500000114.2N39 R77N39-G42 PolarHBondContact O-N 2.71Å; N39-G42 PolarHBondContact OD1-N 3.41Å; G42-R77 WeakPolarHBondContact O-CD 3.49Å; G42-R77 PolarHBondContact O-NH1 3.02Å
43G92.4Very high86.5Confident9 Ų986.2 Ų86.29%0.09349%0.487CS..  trans-100.2137.3179.200000112.6V38 N39V38-G43 WeakPolarHBondContact CA-O 3.25Å; N39-G43 VanDerWaalsContact CG-O 3.24Å; N39-G43 PolarHBondContact N-O 3.01Å; N39-G43 PolarHBondContact ND2-O 3.34Å; N39-G43 PolarHBondContact OD1-N 3.38Å; N39-G43 VanDerWaalsContact OD1-N 3.15Å
44V93.2Very high88.7Confident95 Ų9583 Ų8358%0.57647%0.467SS*.EExtended strand (participates in β ladder)trans-79.4138.4179.3-174.60000110.7R37R37-V44 CarbonylContact O-C 3.55Å; R37-V44 WeakPolarHBondContact O-CA 3.39Å
45F93.6Very high90.7Very high69 Ų6981.1 Ų81.130%0.30344%0.438SS..EExtended strand (participates in β ladder)trans-150.5154.3174.973.2-76.3000111.6R37 N39R37-F45 HydrophobicContact CB-CD1 4.28Å; R37-F45 HydrophobicContact CB-CE1 3.72Å; R37-F45 HydrophobicContact CB-CE2 4.38Å; R37-F45 HydrophobicContact CB-CZ 3.79Å; R37-F45 PolarHBondContact N-O 3.16Å; R37-F45 WeakPolarHBondContact O-CD1 3.35Å; R37-F45 PolarHBondContact O-N 3.3Å; N39-F45 HydrophobicContact CB-CD1 3.94Å; N39-F45 HydrophobicContact CB-CE1 3.78Å
46I92.3Very high92.1Very high46 Ų4676 Ų7624%0.23641%0.413CS..EExtended strand (participates in β ladder)trans-103.7129.4172.6-55.9172.8000108.3T31 R49T31-I46 HydrophobicContact CG2-CD1 4.28Å; I46-R49 HydrophobicContact CB-CB 4.19Å; I46-R49 HydrophobicContact CB-CG 4.4Å; I46-R49 HydrophobicContact CG2-CB 4.22Å; I46-R49 HydrophobicContact CG2-CG 3.92Å; I46-R49 PolarHBondContact O-N 3.2Å
47N88.5Confident93.1Very high98 Ų9879.1 Ų79.152%0.52442%0.419SS..THydrogen-bonded Turntrans-65.7139.8-179.3-118.5-14000111.1R49N47-R49 PolarHBondContact O-N 3.06Å
48G87.4Confident93.5Very high70 Ų7075.6 Ų75.672%0.72241%0.408SS*.THydrogen-bonded Turntrans73.9-18.9-179.400000116.2
49R91.3Very high93.8Very high170 Ų17070.9 Ų70.964%0.64238%0.379SS*.SBendtrans-87.8153.6176.9-65.7-164.3-176.7-136.30.2112I46 N47I46-R49 HydrophobicContact CB-CB 4.19Å; I46-R49 HydrophobicContact CB-CG 4.4Å; I46-R49 HydrophobicContact CG2-CB 4.22Å; I46-R49 HydrophobicContact CG2-CG 3.92Å; I46-R49 PolarHBondContact O-N 3.2Å; N47-R49 PolarHBondContact O-N 3.06Å
50P94.7Very high94Very high65 Ų6569.6 Ų69.642%0.42237%0.373SS..PPolyproline II helixtrans-68.8153.1171.330.2-34.1000111.1P98 I101P50-P98 HydrophobicContact CB-CB 3.74Å; P50-P98 HydrophobicContact CB-CG 4.03Å; P50-P98 HydrophobicContact CG-CB 4.33Å; P50-P98 HydrophobicContact CG-CG 4.19Å; P50-I101 HydrophobicContact CB-CD1 4.24Å; P50-I101 HydrophobicContact CG-CD1 4.2Å
51L95.1Very high94.2Very high32 Ų3263.5 Ų63.517%0.16834%0.344CS..PPolyproline II helixtrans-59.4142173.7-168.670.4000110.8I55 R56 I59 V78 I86L51-I55 HydrophobicContact CD1-CG2 4.46Å; L51-I55 HydrophobicContact CD2-CB 4.11Å; L51-I55 HydrophobicContact CD2-CG2 3.68Å; L51-I55 HydrophobicContact CG-CB 4.12Å; L51-I55 HydrophobicContact CG-CG2 4.12Å; L51-R56 HydrophobicContact CB-CG 4.12Å; L51-R56 HydrophobicContact CD2-CG 4.25Å; L51-R56 HydrophobicContact CG-CG 4.42Å; L51-R56 WeakPolarHBondContact O-CD 3.32Å; L51-I59 HydrophobicContact CD2-CD1 3.75Å; L51-V78 HydrophobicContact CD1-CG2 4.24Å; L51-V78 HydrophobicContact CD2-CG1 4.02Å; L51-V78 HydrophobicContact CD2-CG2 4.03Å; L51-I86 HydrophobicContact CD2-CD1 3.8Å
52P95.1Very high94.6Very high60 Ų6060.5 Ų60.539%0.3933%0.328SS..PPolyproline II helixtrans-55.1145.6-179.4-28.236.1000113.9H54 I55 R56P52-H54 PolarHBondContact O-N 3.32Å; P52-I55 HydrophobicContact CB-CG1 4.35Å; P52-I55 PolarHBondContact O-N 3.01Å; P52-I55 VanDerWaalsContact O-N 3.14Å; P52-R56 WeakPolarHBondContact O-CG 3.37Å; P52-R56 PolarHBondContact O-N 3Å
53N95.2Very high94.9Very high85 Ų8560.6 Ų60.646%0.45533%0.326SS..Hα-helixtrans-61.1-43.9-168.7-161.45.9000112.8I55 R56 H57 I96N53-I55 VanDerWaalsContact C-N 3.31Å; N53-I55 PolarHBondContact O-N 3.27Å; N53-R56 WeakPolarHBondContact O-CA 3.49Å; N53-R56 WeakPolarHBondContact O-CB 3.31Å; N53-R56 PolarHBondContact O-N 3.15Å; N53-H57 PolarHBondContact O-CD2 3.29Å; N53-H57 PolarHBondContact O-N 3.45Å; N53-H57 PolarHBondContact OD1-CD2 3.17Å; N53-I96 WeakPolarHBondContact OD1-CD1 3.48Å
54H95.9Very high95.1Very high98 Ų9868 Ų6845%0.45436%0.358SS..Hα-helixtrans-58.2-37.9177.258.2-101.2000113.1P52 H57 K58P52-H54 PolarHBondContact O-N 3.32Å; H54-H57 PolarHBondContact O-N 3.17Å; H54-K58 WeakPolarHBondContact O-CB 3.23Å; H54-K58 PolarHBondContact O-N 3.41Å
55I96.7Very high95.3Very high40 Ų4069.9 Ų69.921%0.20536%0.36CS..Hα-helixtrans-69.2-35.5174.7-50.7-64000110.9L51 P52 N53 K58 I59 L76 V78L51-I55 HydrophobicContact CD1-CG2 4.46Å; L51-I55 HydrophobicContact CD2-CB 4.11Å; L51-I55 HydrophobicContact CD2-CG2 3.68Å; L51-I55 HydrophobicContact CG-CB 4.12Å; L51-I55 HydrophobicContact CG-CG2 4.12Å; P52-I55 HydrophobicContact CB-CG1 4.35Å; P52-I55 PolarHBondContact O-N 3.01Å; P52-I55 VanDerWaalsContact O-N 3.14Å; N53-I55 VanDerWaalsContact C-N 3.31Å; N53-I55 PolarHBondContact O-N 3.27Å; I55-K58 PolarHBondContact O-N 3.31Å; I55-I59 HydrophobicContact CG2-CD1 4.21Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 2.61Å; I55-L76 HydrophobicContact CG2-CD1 4.36Å; I55-V78 HydrophobicContact CG2-CG2 3.73Å
56R97.8Very high95.5Very high21 Ų2169.6 Ų69.68%0.07938%0.377CS..Hα-helixtrans-66.8-40.3177.3-63.4173.561.985.27.3111.7L51 P52 N53 V60 I86 I96 R97L51-R56 HydrophobicContact CB-CG 4.12Å; L51-R56 HydrophobicContact CD2-CG 4.25Å; L51-R56 HydrophobicContact CG-CG 4.42Å; L51-R56 WeakPolarHBondContact O-CD 3.32Å; P52-R56 WeakPolarHBondContact O-CG 3.37Å; P52-R56 PolarHBondContact O-N 3Å; N53-R56 WeakPolarHBondContact O-CA 3.49Å; N53-R56 WeakPolarHBondContact O-CB 3.31Å; N53-R56 PolarHBondContact O-N 3.15Å; R56-V60 PolarHBondContact O-N 3.34Å; R56-I86 HydrophobicContact CG-CD1 4.09Å; R56-I96 PolarHBondContact NE-O 3.05Å; R56-I96 PolarHBondContact NH2-O 3.48Å; R56-R97 PolarHBondContact NH2-O 2.95Å
57H97.2Very high95.7Very high98 Ų9870 Ų7045%0.45438%0.379SS..Hα-helixtrans-59.6-52.1167.5-82.6-86.7000111N53 H54 I59 V60 E61 I96N53-H57 PolarHBondContact O-CD2 3.29Å; N53-H57 PolarHBondContact O-N 3.45Å; N53-H57 PolarHBondContact OD1-CD2 3.17Å; H54-H57 PolarHBondContact O-N 3.17Å; H57-I59 VanDerWaalsContact C-N 3.27Å; H57-I59 PolarHBondContact O-N 2.84Å; H57-V60 PolarHBondContact O-N 3.17Å; H57-E61 WeakPolarHBondContact O-CB 3.25Å; H57-E61 PolarHBondContact O-N 2.63Å; H57-I96 WeakPolarHBondContact NE2-CD1 3.36Å
58K97.9Very high96.1Very high82 Ų8274 Ų7436%0.35739%0.386SS..Hα-helixtrans-60.5-33.6-176.5-160.454.5156.8-177.10113.4H54 I55 E61 M62 L76H54-K58 WeakPolarHBondContact O-CB 3.23Å; H54-K58 PolarHBondContact O-N 3.41Å; I55-K58 PolarHBondContact O-N 3.31Å; K58-E61 WeakPolarHBondContact CD-OE2 3.35Å; K58-E61 WeakPolarHBondContact CE-OE2 3.29Å; K58-E61 IonicContact NZ-OE1 2.73Å; K58-E61 PolarHBondContact NZ-OE1 3.47Å; K58-E61 IonicContact NZ-OE2 3.64Å; K58-E61 PolarHBondContact NZ-OE2 2.88Å; K58-M62 HydrophobicContact CD-CG 4.35Å; K58-M62 HydrophobicContact CG-CG 4.35Å; K58-M62 HydrophobicContact CG-SD 4.16Å; K58-M62 VanDerWaalsContact O-CB 3.31Å; K58-M62 WeakPolarHBondContact O-CB 3.45Å; K58-M62 WeakPolarHBondContact O-CG 3.26Å; K58-M62 PolarHBondContact O-N 3.09Å; K58-L76 HydrophobicContact CB-CD1 4.11Å; K58-L76 HydrophobicContact CB-CD2 4.43Å; K58-L76 HydrophobicContact CG-CD1 4.15Å; K58-L76 HydrophobicContact CG-CD2 3.82Å
59I98.1Very high96.5Very high0 Ų073.2 Ų73.20%037%0.369CS..Hα-helixtrans-59.4-44.7171.8-75.9166.2000111.8L51 I55 H57 A63 I72 L76 V78 V83 I86 L87L51-I59 HydrophobicContact CD2-CD1 3.75Å; I55-I59 HydrophobicContact CG2-CD1 4.21Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 2.61Å; H57-I59 VanDerWaalsContact C-N 3.27Å; H57-I59 PolarHBondContact O-N 2.84Å; I59-A63 WeakPolarHBondContact O-CB 3.36Å; I59-A63 PolarHBondContact O-N 2.68Å; I59-I72 HydrophobicContact CB-CG2 4.36Å; I59-I72 HydrophobicContact CG1-CG2 3.96Å; I59-I72 HydrophobicContact CG2-CG2 4.49Å; I59-L76 HydrophobicContact CB-CD1 4.49Å; I59-L76 HydrophobicContact CG1-CD1 3.57Å; I59-V78 HydrophobicContact CD1-CG1 4.22Å; I59-V78 HydrophobicContact CD1-CG2 4.47Å; I59-V83 HydrophobicContact CD1-CG2 4.24Å; I59-V83 HydrophobicContact CG1-CG2 4.46Å; I59-V83 HydrophobicContact CG2-CG1 4.03Å; I59-I86 HydrophobicContact CB-CG2 4.41Å; I59-I86 HydrophobicContact CD1-CD1 3.6Å; I59-I86 HydrophobicContact CG2-CB 4.2Å; I59-I86 HydrophobicContact CG2-CG2 3.83Å; I59-L87 HydrophobicContact CG2-CD2 3.8Å; I59-L87 HydrophobicContact CG2-CG 3.91Å
60V97.7Very high96.8Very high13 Ų1367 Ų678%0.07935%0.351CS..Hα-helixtrans-74.5-45.1-179.6169.90000111.1R56 H57 M62 A63 H64 I86 L87 Y90 I96R56-V60 PolarHBondContact O-N 3.34Å; H57-V60 PolarHBondContact O-N 3.17Å; V60-M62 PolarHBondContact O-N 3Å; V60-A63 PolarHBondContact O-N 3.15Å; V60-A63 VanDerWaalsContact O-N 3.11Å; V60-H64 PolarHBondContact O-N 2.76Å; V60-I86 HydrophobicContact CG2-CG2 4.27Å; V60-L87 HydrophobicContact CG2-CD2 4.15Å; V60-Y90 HydrophobicContact CG1-CD1 3.65Å; V60-Y90 HydrophobicContact CG1-CD2 4.09Å; V60-Y90 HydrophobicContact CG1-CE1 3.4Å; V60-Y90 VanDerWaalsContact CG1-CE1 3.4Å; V60-Y90 HydrophobicContact CG1-CE2 3.88Å; V60-Y90 HydrophobicContact CG1-CG 3.99Å; V60-Y90 HydrophobicContact CG2-CD1 4.12Å; V60-Y90 HydrophobicContact CG2-CD2 4.09Å; V60-Y90 HydrophobicContact CG2-CG 3.8Å; V60-I96 HydrophobicContact CB-CG2 4.42Å; V60-I96 HydrophobicContact CG2-CG2 3.96Å
61E97.8Very high96.9Very high80 Ų8066.3 Ų66.337%0.37435%0.345SS..Hα-helixtrans-54.7-49.8176.6-171.2-142.911200111.2H57 K58 A63 H64 H65H57-E61 WeakPolarHBondContact O-CB 3.25Å; H57-E61 PolarHBondContact O-N 2.63Å; K58-E61 WeakPolarHBondContact CD-OE2 3.35Å; K58-E61 WeakPolarHBondContact CE-OE2 3.29Å; K58-E61 IonicContact NZ-OE1 2.73Å; K58-E61 PolarHBondContact NZ-OE1 3.47Å; K58-E61 IonicContact NZ-OE2 3.64Å; K58-E61 PolarHBondContact NZ-OE2 2.88Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.6Å; E61-H64 WeakPolarHBondContact O-CB 3.47Å; E61-H64 PolarHBondContact O-N 2.97Å; E61-H65 PolarHBondContact O-N 2.72Å; E61-H65 VanDerWaalsContact O-N 3.13Å; E61-H65 PolarHBondContact O-ND1 2.93Å
62M98.1Very high97Very high7 Ų764.8 Ų64.83%0.03434%0.337CS..Hα-helixtrans-62.9-37.4177.1-71.7177.874.100112.5K58 V60 H64 H65 I67 I72 Q75 L76K58-M62 HydrophobicContact CD-CG 4.35Å; K58-M62 HydrophobicContact CG-CG 4.35Å; K58-M62 HydrophobicContact CG-SD 4.16Å; K58-M62 VanDerWaalsContact O-CB 3.31Å; K58-M62 WeakPolarHBondContact O-CB 3.45Å; K58-M62 WeakPolarHBondContact O-CG 3.26Å; K58-M62 PolarHBondContact O-N 3.09Å; V60-M62 PolarHBondContact O-N 3Å; M62-H64 VanDerWaalsContact C-N 3.34Å; M62-H65 CarbonylContact O-C 3.49Å; M62-H65 PolarHBondContact O-N 3.07Å; M62-I67 HydrophobicContact CB-CB 4.3Å; M62-I67 HydrophobicContact CB-CD1 4Å; M62-I67 HydrophobicContact CE-CD1 3.86Å; M62-I67 HydrophobicContact CE-CG2 4.13Å; M62-I67 HydrophobicContact CG-CD1 4.14Å; M62-I67 WeakPolarHBondContact O-CB 3.15Å; M62-I67 WeakPolarHBondContact O-CG1 3.41Å; M62-I67 PolarHBondContact O-N 3.15Å; M62-I72 HydrophobicContact CB-CD1 3.81Å; M62-I72 HydrophobicContact CB-CG1 3.86Å; M62-I72 HydrophobicContact CE-CB 4.44Å; M62-I72 HydrophobicContact CE-CG1 4.11Å; M62-I72 HydrophobicContact SD-CG1 4.49Å; M62-I72 HydrophobicContact SD-CG2 4.18Å; M62-Q75 HydrophobicContact CE-CB 4.17Å; M62-Q75 VanDerWaalsContact CE-CD 3.48Å; M62-Q75 HydrophobicContact CE-CG 4.15Å; M62-L76 HydrophobicContact SD-CD1 3.83Å; M62-L76 HydrophobicContact SD-CD2 3.97Å; M62-L76 HydrophobicContact SD-CG 3.86Å
63A97.6Very high97.2Very high35 Ų3562.2 Ų62.229%0.28932%0.321SS..Hα-helixtrans-69.6-32.5177.100000112.4I59 V60 E61 H65 G66 I72 L87I59-A63 WeakPolarHBondContact O-CB 3.36Å; I59-A63 PolarHBondContact O-N 2.68Å; V60-A63 PolarHBondContact O-N 3.15Å; V60-A63 VanDerWaalsContact O-N 3.11Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.6Å; A63-H65 VanDerWaalsContact C-N 3.34Å; A63-G66 PolarHBondContact O-N 2.74Å; A63-G66 VanDerWaalsContact O-N 3.09Å; A63-I72 HydrophobicContact CB-CD1 3.85Å; A63-L87 HydrophobicContact CB-CD1 4.02Å; A63-L87 HydrophobicContact CB-CD2 3.49Å; A63-L87 VanDerWaalsContact CB-CD2 3.49Å; A63-L87 HydrophobicContact CB-CG 4.43Å
64H96.8Very high97.3Very high164 Ų16465.3 Ų65.376%0.75933%0.327SS*.Hα-helixtrans-65.9-36.9173.3-163.6-96.2000111.7V60 E61 M62 G66V60-H64 PolarHBondContact O-N 2.76Å; E61-H64 WeakPolarHBondContact O-CB 3.47Å; E61-H64 PolarHBondContact O-N 2.97Å; M62-H64 VanDerWaalsContact C-N 3.34Å; H64-G66 PolarHBondContact O-N 3.4Å
65H97.7Very high97.3Very high134 Ų13466.6 Ų66.662%0.6233%0.333SS*.THydrogen-bonded Turntrans-73.619168.9-65.486.8000113.8E61 M62 A63 I67E61-H65 PolarHBondContact O-N 2.72Å; E61-H65 VanDerWaalsContact O-N 3.13Å; E61-H65 PolarHBondContact O-ND1 2.93Å; M62-H65 CarbonylContact O-C 3.49Å; M62-H65 PolarHBondContact O-N 3.07Å; A63-H65 VanDerWaalsContact C-N 3.34Å; H65-I67 HydrophobicContact CB-CG1 4.39Å; H65-I67 PolarHBondContact O-N 3.24Å; H65-I67 VanDerWaalsContact O-N 3.16Å
66G96Very high97.4Very high63 Ų6366.6 Ų66.665%0.64933%0.333SS*.THydrogen-bonded Turntrans70.45.5177.300000115.7A63 H64 R68A63-G66 PolarHBondContact O-N 2.74Å; A63-G66 VanDerWaalsContact O-N 3.09Å; H64-G66 PolarHBondContact O-N 3.4Å; G66-R68 PolarHBondContact O-N 3.35Å
67I97.7Very high97.3Very high55 Ų5572.1 Ų72.128%0.28235%0.354SS..  trans-70.5124-175.1-54.7177.1000109.9M62 H65 V71 I72M62-I67 HydrophobicContact CB-CB 4.3Å; M62-I67 HydrophobicContact CB-CD1 4Å; M62-I67 HydrophobicContact CE-CD1 3.86Å; M62-I67 HydrophobicContact CE-CG2 4.13Å; M62-I67 HydrophobicContact CG-CD1 4.14Å; M62-I67 WeakPolarHBondContact O-CB 3.15Å; M62-I67 WeakPolarHBondContact O-CG1 3.41Å; M62-I67 PolarHBondContact O-N 3.15Å; H65-I67 HydrophobicContact CB-CG1 4.39Å; H65-I67 PolarHBondContact O-N 3.24Å; H65-I67 VanDerWaalsContact O-N 3.16Å; I67-V71 HydrophobicContact CG2-CB 3.75Å; I67-V71 HydrophobicContact CG2-CG1 3.7Å; I67-I72 HydrophobicContact CB-CG1 4.17Å; I67-I72 HydrophobicContact CG2-CG1 3.86Å; I67-I72 WeakPolarHBondContact O-CD1 3.49Å
68R96.7Very high97.3Very high181 Ų18167.9 Ų67.968%0.68334%0.335SS*.  trans-59136.5-176.5-62.9173.970-169.24.5111G66 C70 V71 I72G66-R68 PolarHBondContact O-N 3.35Å; R68-C70 PolarHBondContact O-N 2.96Å; R68-V71 HydrophobicContact CB-CG2 4.32Å; R68-V71 WeakPolarHBondContact O-CA 3.35Å; R68-V71 WeakPolarHBondContact O-CB 3.42Å; R68-V71 PolarHBondContact O-N 3.38Å; R68-I72 PolarHBondContact O-N 3.05Å
69P95.8Very high97.3Very high54 Ų5467.1 Ų67.135%0.35134%0.34SS..Hα-helixtrans-54.5-27.6-176.5-3136.3000116.1S73 V83 L87P69-S73 VanDerWaalsContact O-CB 3.29Å; P69-S73 WeakPolarHBondContact O-CB 3.42Å; P69-S73 PolarHBondContact O-N 3.45Å; P69-V83 HydrophobicContact CB-CG1 4.14Å; P69-L87 HydrophobicContact CB-CD1 4.24Å; P69-L87 HydrophobicContact CG-CD1 3.89Å
70C96.7Very high97.3Very high39 Ų3972 Ų7226%0.26436%0.362SS..Hα-helixtrans-73.2-25.1174.864.70000113.8R68 R74R68-C70 PolarHBondContact O-N 2.96Å; C70-R74 PolarHBondContact O-N 2.8Å; C70-R74 PolarHBondContact O-NE 3.15Å; C70-R74 PolarHBondContact O-NH1 2.95Å
71V97.6Very high97.2Very high51 Ų5173.8 Ų73.831%0.30938%0.383SS..Hα-helixtrans-77.2-48.3171.6179.50000109.6I67 R68 S73 R74 Q75I67-V71 HydrophobicContact CG2-CB 3.75Å; I67-V71 HydrophobicContact CG2-CG1 3.7Å; R68-V71 HydrophobicContact CB-CG2 4.32Å; R68-V71 WeakPolarHBondContact O-CA 3.35Å; R68-V71 WeakPolarHBondContact O-CB 3.42Å; R68-V71 PolarHBondContact O-N 3.38Å; V71-S73 PolarHBondContact O-N 2.84Å; V71-R74 PolarHBondContact O-N 2.97Å; V71-Q75 WeakPolarHBondContact O-CB 3.44Å; V71-Q75 PolarHBondContact O-N 2.8Å
72I97.8Very high97.2Very high0 Ų071.6 Ų71.60%038%0.377CS..Hα-helixtrans-51.3-46.7174-55.7-179.1000110.7I59 M62 A63 I67 R68 R74 Q75 L76 V83I59-I72 HydrophobicContact CB-CG2 4.36Å; I59-I72 HydrophobicContact CG1-CG2 3.96Å; I59-I72 HydrophobicContact CG2-CG2 4.49Å; M62-I72 HydrophobicContact CB-CD1 3.81Å; M62-I72 HydrophobicContact CB-CG1 3.86Å; M62-I72 HydrophobicContact CE-CB 4.44Å; M62-I72 HydrophobicContact CE-CG1 4.11Å; M62-I72 HydrophobicContact SD-CG1 4.49Å; M62-I72 HydrophobicContact SD-CG2 4.18Å; A63-I72 HydrophobicContact CB-CD1 3.85Å; I67-I72 HydrophobicContact CB-CG1 4.17Å; I67-I72 HydrophobicContact CG2-CG1 3.86Å; I67-I72 WeakPolarHBondContact O-CD1 3.49Å; R68-I72 PolarHBondContact O-N 3.05Å; I72-R74 PolarHBondContact O-N 2.9Å; I72-Q75 PolarHBondContact O-N 2.94Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.42Å; I72-L76 PolarHBondContact O-N 2.7Å; I72-V83 HydrophobicContact CB-CG1 4.19Å; I72-V83 HydrophobicContact CG2-CG1 4Å; I72-V83 HydrophobicContact CG2-CG2 4.42Å
73S98.1Very high97.2Very high7 Ų771.3 Ų71.35%0.04938%0.375CS..Hα-helixtrans-57-43.9177.6179.60000113.2L41 P69 V71 R77 V78 H80L41-S73 WeakPolarHBondContact CD1-O 3.11Å; P69-S73 VanDerWaalsContact O-CB 3.29Å; P69-S73 WeakPolarHBondContact O-CB 3.42Å; P69-S73 PolarHBondContact O-N 3.45Å; V71-S73 PolarHBondContact O-N 2.84Å; S73-R77 CarbonylContact O-C 3.27Å; S73-R77 WeakPolarHBondContact O-CA 3.46Å; S73-R77 PolarHBondContact O-N 3.31Å; S73-V78 CarbonylContact C-O 3.54Å; S73-V78 VanDerWaalsContact CA-O 3.25Å; S73-V78 WeakPolarHBondContact CA-O 3.36Å; S73-V78 WeakPolarHBondContact CB-O 3.36Å; S73-V78 PolarHBondContact O-N 2.76Å; S73-V78 VanDerWaalsContact O-O 3.04Å; S73-V78 PolarHBondContact OG-O 3.11Å; S73-H80 WeakPolarHBondContact OG-CA 3.22Å; S73-H80 PolarHBondContact OG-N 3.05Å; S73-H80 VanDerWaalsContact OG-N 3.16Å
74R97.5Very high97.2Very high150 Ų15072 Ų7257%0.56638%0.378SS*.Hα-helixtrans-73-46.7178.1-71.6-176.1-67-96.11.1112.2C70 V71 I72 R77C70-R74 PolarHBondContact O-N 2.8Å; C70-R74 PolarHBondContact O-NE 3.15Å; C70-R74 PolarHBondContact O-NH1 2.95Å; V71-R74 PolarHBondContact O-N 2.97Å; I72-R74 PolarHBondContact O-N 2.9Å; R74-R77 PolarHBondContact O-N 3.12Å; R74-R77 VanDerWaalsContact O-N 3.17Å
75Q97.2Very high97.2Very high125 Ų12571.6 Ų71.658%0.58437%0.374SS*.Hα-helixtrans-66.6-43-174.5-175.5169.4-7.100112.5M62 V71 I72 R77M62-Q75 HydrophobicContact CE-CB 4.17Å; M62-Q75 VanDerWaalsContact CE-CD 3.48Å; M62-Q75 HydrophobicContact CE-CG 4.15Å; V71-Q75 WeakPolarHBondContact O-CB 3.44Å; V71-Q75 PolarHBondContact O-N 2.8Å; I72-Q75 PolarHBondContact O-N 2.94Å; Q75-R77 VanDerWaalsContact C-N 3.28Å
76L97.2Very high97.1Very high39 Ų3965.5 Ų65.520%0.20435%0.346CS..THydrogen-bonded Turntrans-85.9-0.8175.5-56.1-179.1000112.8I55 K58 I59 M62 I72 V78I55-L76 HydrophobicContact CG2-CD1 4.36Å; K58-L76 HydrophobicContact CB-CD1 4.11Å; K58-L76 HydrophobicContact CB-CD2 4.43Å; K58-L76 HydrophobicContact CG-CD1 4.15Å; K58-L76 HydrophobicContact CG-CD2 3.82Å; I59-L76 HydrophobicContact CB-CD1 4.49Å; I59-L76 HydrophobicContact CG1-CD1 3.57Å; M62-L76 HydrophobicContact SD-CD1 3.83Å; M62-L76 HydrophobicContact SD-CD2 3.97Å; M62-L76 HydrophobicContact SD-CG 3.86Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.42Å; I72-L76 PolarHBondContact O-N 2.7Å; L76-V78 HydrophobicContact CB-CG2 4.06Å; L76-V78 WeakPolarHBondContact O-CG2 3.45Å; L76-V78 PolarHBondContact O-N 3.36Å; L76-V78 VanDerWaalsContact O-N 3.15Å
77R97.3Very high97.2Very high137 Ų13763.2 Ų63.252%0.51732%0.319SS..THydrogen-bonded Turntrans52.830.3-175.2-52.3-177.6177-169.2-1.2113.8N39 L41 G42 S73 R74 Q75N39-R77 PolarHBondContact ND2-O 3.34Å; N39-R77 PolarHBondContact OD1-O 3.25Å; L41-R77 HydrophobicContact CB-CB 4.14Å; L41-R77 WeakPolarHBondContact O-CB 3.24Å; L41-R77 VanDerWaalsContact O-CD 3.26Å; L41-R77 WeakPolarHBondContact O-CD 3.48Å; L41-R77 VanDerWaalsContact O-CG 3.29Å; L41-R77 WeakPolarHBondContact O-CG 3.28Å; G42-R77 WeakPolarHBondContact O-CD 3.49Å; G42-R77 PolarHBondContact O-NH1 3.02Å; S73-R77 CarbonylContact O-C 3.27Å; S73-R77 WeakPolarHBondContact O-CA 3.46Å; S73-R77 PolarHBondContact O-N 3.31Å; R74-R77 PolarHBondContact O-N 3.12Å; R74-R77 VanDerWaalsContact O-N 3.17Å; Q75-R77 VanDerWaalsContact C-N 3.28Å
78V96.8Very high97.1Very high10 Ų1063.3 Ų63.36%0.06132%0.324CS..  trans-99.1135.8178.9176.20000109.4L41 L51 I55 I59 S73 L76 H80 C82 V83L41-V78 WeakPolarHBondContact CD1-O 3.3Å; L51-V78 HydrophobicContact CD1-CG2 4.24Å; L51-V78 HydrophobicContact CD2-CG1 4.02Å; L51-V78 HydrophobicContact CD2-CG2 4.03Å; I55-V78 HydrophobicContact CG2-CG2 3.73Å; I59-V78 HydrophobicContact CD1-CG1 4.22Å; I59-V78 HydrophobicContact CD1-CG2 4.47Å; S73-V78 CarbonylContact C-O 3.54Å; S73-V78 VanDerWaalsContact CA-O 3.25Å; S73-V78 WeakPolarHBondContact CA-O 3.36Å; S73-V78 WeakPolarHBondContact CB-O 3.36Å; S73-V78 PolarHBondContact O-N 2.76Å; S73-V78 VanDerWaalsContact O-O 3.04Å; S73-V78 PolarHBondContact OG-O 3.11Å; L76-V78 HydrophobicContact CB-CG2 4.06Å; L76-V78 WeakPolarHBondContact O-CG2 3.45Å; L76-V78 PolarHBondContact O-N 3.36Å; L76-V78 VanDerWaalsContact O-N 3.15Å; V78-H80 PolarHBondContact O-N 3.1Å; V78-C82 HydrophobicContact CG1-CB 3.74Å; V78-V83 HydrophobicContact CB-CG2 4.03Å; V78-V83 HydrophobicContact CG1-CG2 3.83Å
79S97.4Very high97Very high66 Ų6658.7 Ų58.746%0.46231%0.306SS..  trans-59138.5-179.5660000112.5G81 C82 V83S79-G81 VanDerWaalsContact C-N 3.25Å; S79-G81 PolarHBondContact O-N 3.35Å; S79-G81 VanDerWaalsContact O-N 3.15Å; S79-C82 WeakPolarHBondContact O-CA 3.26Å; S79-C82 VanDerWaalsContact O-CB 3.3Å; S79-C82 WeakPolarHBondContact O-CB 3.28Å; S79-C82 PolarHBondContact O-N 3.37Å; S79-V83 PolarHBondContact O-N 3.38Å; S79-V83 VanDerWaalsContact O-N 3.13Å
80H97.6Very high97Very high101 Ų10160.5 Ų60.547%0.46831%0.307SS..Hα-helixtrans-55.2-38-173.5-176.1-107.5000113.4S73 V78 C82 V83 S84S73-H80 WeakPolarHBondContact OG-CA 3.22Å; S73-H80 PolarHBondContact OG-N 3.05Å; S73-H80 VanDerWaalsContact OG-N 3.16Å; V78-H80 PolarHBondContact O-N 3.1Å; H80-C82 VanDerWaalsContact C-N 3.27Å; H80-C82 PolarHBondContact O-N 2.96Å; H80-V83 PolarHBondContact O-N 3.15Å; H80-S84 WeakPolarHBondContact O-CB 3.46Å; H80-S84 PolarHBondContact O-N 3.03Å
81G97.1Very high96.9Very high51 Ų5166.3 Ų66.353%0.52633%0.33SS..Hα-helixtrans-69.7-17.7175.400000114.8S79 K85S79-G81 VanDerWaalsContact C-N 3.25Å; S79-G81 PolarHBondContact O-N 3.35Å; S79-G81 VanDerWaalsContact O-N 3.15Å; G81-K85 VanDerWaalsContact O-CB 3.3Å; G81-K85 WeakPolarHBondContact O-CB 3.25Å; G81-K85 PolarHBondContact O-N 3.22Å
82C96.8Very high96.4Very high35 Ų3569.8 Ų69.824%0.23634%0.343CS..Hα-helixtrans-82.5-46.2169.9-169.70000110.7V78 S79 H80 S84 K85 I86V78-C82 HydrophobicContact CG1-CB 3.74Å; S79-C82 WeakPolarHBondContact O-CA 3.26Å; S79-C82 VanDerWaalsContact O-CB 3.3Å; S79-C82 WeakPolarHBondContact O-CB 3.28Å; S79-C82 PolarHBondContact O-N 3.37Å; H80-C82 VanDerWaalsContact C-N 3.27Å; H80-C82 PolarHBondContact O-N 2.96Å; C82-S84 PolarHBondContact O-N 3.49Å; C82-K85 PolarHBondContact O-N 2.93Å; C82-I86 WeakPolarHBondContact O-CG1 3.29Å; C82-I86 PolarHBondContact O-N 3.24Å
83V97.8Very high96.1Very high0 Ų073.4 Ų73.40%037%0.365CS..Hα-helixtrans-54.3-53.8173.8177.90000110.7I59 P69 I72 V78 S79 H80 K85 I86 L87I59-V83 HydrophobicContact CD1-CG2 4.24Å; I59-V83 HydrophobicContact CG1-CG2 4.46Å; I59-V83 HydrophobicContact CG2-CG1 4.03Å; P69-V83 HydrophobicContact CB-CG1 4.14Å; I72-V83 HydrophobicContact CB-CG1 4.19Å; I72-V83 HydrophobicContact CG2-CG1 4Å; I72-V83 HydrophobicContact CG2-CG2 4.42Å; V78-V83 HydrophobicContact CB-CG2 4.03Å; V78-V83 HydrophobicContact CG1-CG2 3.83Å; S79-V83 PolarHBondContact O-N 3.38Å; S79-V83 VanDerWaalsContact O-N 3.13Å; H80-V83 PolarHBondContact O-N 3.15Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.34Å; V83-I86 PolarHBondContact O-N 3.07Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 HydrophobicContact CG1-CG 4.46Å; V83-L87 WeakPolarHBondContact O-CG 3.41Å; V83-L87 PolarHBondContact O-N 2.94Å
84S97.6Very high95.8Very high51 Ų5175.6 Ų75.636%0.35739%0.389SS..Hα-helixtrans-56.8-43.5177.1167.30000112.5H80 C82 I86 L87 C88H80-S84 WeakPolarHBondContact O-CB 3.46Å; H80-S84 PolarHBondContact O-N 3.03Å; C82-S84 PolarHBondContact O-N 3.49Å; S84-I86 VanDerWaalsContact C-N 3.34Å; S84-I86 PolarHBondContact O-N 2.85Å; S84-L87 PolarHBondContact O-N 2.64Å; S84-C88 WeakPolarHBondContact O-CB 3.38Å; S84-C88 PolarHBondContact O-N 2.83Å; S84-C88 PolarHBondContact O-SG 3.3Å
85K96.8Very high95.5Very high155 Ų15570.3 Ų70.367%0.67438%0.375SS*.Hα-helixtrans-64.9-35.6179-172.8-172.5-59.41780112.9G81 C82 V83 R89G81-K85 VanDerWaalsContact O-CB 3.3Å; G81-K85 WeakPolarHBondContact O-CB 3.25Å; G81-K85 PolarHBondContact O-N 3.22Å; C82-K85 PolarHBondContact O-N 2.93Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.34Å; K85-R89 WeakPolarHBondContact O-CB 3.48Å; K85-R89 PolarHBondContact O-N 3.09Å
86I96.9Very high95.3Very high6 Ų665.5 Ų65.53%0.03135%0.353CS..Hα-helixtrans-70.2-48176.7-70.1163.6000110L51 R56 I59 V60 C82 V83 S84 R89 Y90L51-I86 HydrophobicContact CD2-CD1 3.8Å; R56-I86 HydrophobicContact CG-CD1 4.09Å; I59-I86 HydrophobicContact CB-CG2 4.41Å; I59-I86 HydrophobicContact CD1-CD1 3.6Å; I59-I86 HydrophobicContact CG2-CB 4.2Å; I59-I86 HydrophobicContact CG2-CG2 3.83Å; V60-I86 HydrophobicContact CG2-CG2 4.27Å; C82-I86 WeakPolarHBondContact O-CG1 3.29Å; C82-I86 PolarHBondContact O-N 3.24Å; V83-I86 PolarHBondContact O-N 3.07Å; S84-I86 VanDerWaalsContact C-N 3.34Å; S84-I86 PolarHBondContact O-N 2.85Å; I86-R89 PolarHBondContact O-N 3.31Å; I86-Y90 WeakPolarHBondContact O-CB 3.47Å; I86-Y90 PolarHBondContact O-N 2.89Å
87L97.1Very high95Very high15 Ų1572 Ų728%0.07938%0.375CS..Hα-helixtrans-63.6-42.8179.6-65.6177.2000112.6I59 V60 A63 P69 V83 S84 Y90 Q91I59-L87 HydrophobicContact CG2-CD2 3.8Å; I59-L87 HydrophobicContact CG2-CG 3.91Å; V60-L87 HydrophobicContact CG2-CD2 4.15Å; A63-L87 HydrophobicContact CB-CD1 4.02Å; A63-L87 HydrophobicContact CB-CD2 3.49Å; A63-L87 VanDerWaalsContact CB-CD2 3.49Å; A63-L87 HydrophobicContact CB-CG 4.43Å; P69-L87 HydrophobicContact CB-CD1 4.24Å; P69-L87 HydrophobicContact CG-CD1 3.89Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 HydrophobicContact CG1-CG 4.46Å; V83-L87 WeakPolarHBondContact O-CG 3.41Å; V83-L87 PolarHBondContact O-N 2.94Å; S84-L87 PolarHBondContact O-N 2.64Å; L87-Y90 PolarHBondContact O-N 3.46Å; L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.23Å
88C95.9Very high94.7Very high56 Ų5668 Ų6838%0.37837%0.366SS..Hα-helixtrans-63-43.6175.4-64.70000111.9S84 Y90 Q91 E92S84-C88 WeakPolarHBondContact O-CB 3.38Å; S84-C88 PolarHBondContact O-N 2.83Å; S84-C88 PolarHBondContact O-SG 3.3Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 2.9Å; C88-Q91 PolarHBondContact O-N 3.38Å; C88-E92 WeakPolarHBondContact O-CB 3.42Å; C88-E92 WeakPolarHBondContact O-CG 3.44Å; C88-E92 PolarHBondContact O-N 3.05Å
89R94.6Very high94.2Very high84 Ų8469.3 Ų69.332%0.31738%0.382SS..Hα-helixtrans-62.4-38.7175.7176.9176.7172.181-4111.9K85 I86 E92 T93 R97K85-R89 WeakPolarHBondContact O-CB 3.48Å; K85-R89 PolarHBondContact O-N 3.09Å; I86-R89 PolarHBondContact O-N 3.31Å; R89-E92 PolarHBondContact O-N 3.46Å; R89-T93 PolarHBondContact O-N 2.98Å; R89-R97 PolarHBondContact NE-O 3.49Å; R89-R97 PolarHBondContact NH2-O 3.28Å
90Y95.9Very high93.5Very high93 Ų9371.3 Ų71.337%0.36540%0.402SS..Hα-helixtrans-65.3-41.9176.9-176.7-104.1000111.5V60 I86 L87 C88 E92 G94 I96V60-Y90 HydrophobicContact CG1-CD1 3.65Å; V60-Y90 HydrophobicContact CG1-CD2 4.09Å; V60-Y90 HydrophobicContact CG1-CE1 3.4Å; V60-Y90 VanDerWaalsContact CG1-CE1 3.4Å; V60-Y90 HydrophobicContact CG1-CE2 3.88Å; V60-Y90 HydrophobicContact CG1-CG 3.99Å; V60-Y90 HydrophobicContact CG2-CD1 4.12Å; V60-Y90 HydrophobicContact CG2-CD2 4.09Å; V60-Y90 HydrophobicContact CG2-CG 3.8Å; I86-Y90 WeakPolarHBondContact O-CB 3.47Å; I86-Y90 PolarHBondContact O-N 2.89Å; L87-Y90 PolarHBondContact O-N 3.46Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 2.9Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-E92 PolarHBondContact O-N 3.39Å; Y90-G94 WeakPolarHBondContact CD2-O 3.14Å; Y90-G94 WeakPolarHBondContact CE2-O 3.36Å; Y90-G94 VanDerWaalsContact O-CA 3.24Å; Y90-G94 WeakPolarHBondContact O-CA 3.46Å; Y90-G94 PolarHBondContact O-N 3.11Å; Y90-I96 HydrophobicContact CD2-CG2 3.64Å; Y90-I96 HydrophobicContact CE2-CG2 3.87Å
91Q93.4Very high92.5Very high161 Ų16172.1 Ų72.175%0.75241%0.409SS*.Hα-helixtrans-66.8-30.8172.5-69.1171.96.500113.4L87 C88L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.23Å; C88-Q91 PolarHBondContact O-N 3.38Å
92E88.5Confident91.1Very high123 Ų12373 Ų7358%0.57542%0.419SS*.Hα-helixtrans-79.4-31.3178.5-76.5177.1165.500113.7C88 R89 Y90C88-E92 WeakPolarHBondContact O-CB 3.42Å; C88-E92 WeakPolarHBondContact O-CG 3.44Å; C88-E92 PolarHBondContact O-N 3.05Å; R89-E92 PolarHBondContact O-N 3.46Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-E92 PolarHBondContact O-N 3.39Å
93T91.2Very high89.8Confident76 Ų7675.2 Ų75.247%0.46645%0.447SS..Hα-helixtrans-141.85.9-168.694.10000115.9R89 S95R89-T93 PolarHBondContact O-N 2.98Å; T93-S95 PolarHBondContact O-N 3.04Å; T93-S95 WeakPolarHBondContact OG1-CB 3.39Å; T93-S95 PolarHBondContact OG1-N 3.28Å
94G91.6Very high88.5Confident53 Ų5380.4 Ų80.455%0.54648%0.483SS..SBendtrans62.1-3.4-173.700000115.7Y90Y90-G94 WeakPolarHBondContact CD2-O 3.14Å; Y90-G94 WeakPolarHBondContact CE2-O 3.36Å; Y90-G94 VanDerWaalsContact O-CA 3.24Å; Y90-G94 WeakPolarHBondContact O-CA 3.46Å; Y90-G94 PolarHBondContact O-N 3.11Å
95S90.9Very high86.9Confident40 Ų4087 Ų8728%0.2851%0.505SS..  trans-105.6115.1-163.8-165.80000112.6T93 R97T93-S95 PolarHBondContact O-N 3.04Å; T93-S95 WeakPolarHBondContact OG1-CB 3.39Å; T93-S95 PolarHBondContact OG1-N 3.28Å; S95-R97 PolarHBondContact O-N 2.7Å; S95-R97 PolarHBondContact OG-N 2.72Å
96I92.1Very high85.1Confident24 Ų2485.3 Ų85.312%0.12351%0.51CS..  trans-70.1-14.1171.161.484.6000112.7N53 R56 H57 V60 Y90N53-I96 WeakPolarHBondContact OD1-CD1 3.48Å; R56-I96 PolarHBondContact NE-O 3.05Å; R56-I96 PolarHBondContact NH2-O 3.48Å; H57-I96 WeakPolarHBondContact NE2-CD1 3.36Å; V60-I96 HydrophobicContact CB-CG2 4.42Å; V60-I96 HydrophobicContact CG2-CG2 3.96Å; Y90-I96 HydrophobicContact CD2-CG2 3.64Å; Y90-I96 HydrophobicContact CE2-CG2 3.87Å
97R91.3Very high83.2Confident176 Ų17694.2 Ų94.266%0.66455%0.549SS*.SBendtrans-67.8140.3-178.7-62.2-179.980.8-132.49.4111.1R56 R89 S95R56-R97 PolarHBondContact NH2-O 2.95Å; R89-R97 PolarHBondContact NE-O 3.49Å; R89-R97 PolarHBondContact NH2-O 3.28Å; S95-R97 PolarHBondContact O-N 2.7Å; S95-R97 PolarHBondContact OG-N 2.72Å
98P90.6Very high81.3Confident51 Ų51102.7 Ų102.733%0.33159%0.588SS.*PPolyproline II helixtrans-60.3157.8169.628.6-34.4000110.4P50P50-P98 HydrophobicContact CB-CB 3.74Å; P50-P98 HydrophobicContact CB-CG 4.03Å; P50-P98 HydrophobicContact CG-CB 4.33Å; P50-P98 HydrophobicContact CG-CG 4.19Å
99G86.4Confident79.5Confident38 Ų38101.7 Ų101.739%0.39259%0.587SS.*PPolyproline II helixtrans-69.1163167.200000110.8I101G99-I101 PolarHBondContact O-N 3.16Å
100A82.9Confident78Confident108 Ų10899.2 Ų99.289%0.89358%0.582SS**PPolyproline II helixtrans-56.9137.2169.200000110.3
101I77.8Confident77.1Confident118 Ų11897.6 Ų97.661%0.60558%0.582SS**  trans-125122.5179.8-65.2165.9000106.9P50 G99P50-I101 HydrophobicContact CB-CD1 4.24Å; P50-I101 HydrophobicContact CG-CD1 4.2Å; G99-I101 PolarHBondContact O-N 3.16Å
102G67.4Low76.6Confident71 Ų7194.9 Ų94.973%0.73258%0.578SS**  trans89.7-177-170.600000112.6
103G69.9Low76.4Confident81 Ų8192.5 Ų92.584%0.83557%0.569SS**  trans85123-163.900000111.6
104S69.1Low76.3Confident108 Ų10889 Ų8976%0.75555%0.548SS*.PPolyproline II helixtrans-66.5150.1156.652.70000108.6
105K63.5Low76.3Confident189 Ų18990 Ų9082%0.82254%0.538SS*.PPolyproline II helixtrans-51.7143.3154.7-66.2-173.9178.3-174.20107.9K107K105-K107 PolarHBondContact O-N 3.15Å
106P60.1Low76.2Confident120 Ų12094.3 Ų94.378%0.77955%0.548SS*.PPolyproline II helixtrans-51.3131.4173.721.6-32.3000108.7Q108P106-Q108 PolarHBondContact O-N 3.18Å
107K57.2Low76.2Confident193 Ų19395.4 Ų95.484%0.83955%0.551SS**PPolyproline II helixtrans-59.7132-179-83.6-169.2174.9-1740108.1K105 G109K105-K107 PolarHBondContact O-N 3.15Å; K107-G109 PolarHBondContact O-N 3.02Å
108Q57.3Low76.2Confident193 Ų19387 Ų8790%0.90252%0.519SS*.SBendtrans-79.453.4-173-157.8156.8-11.700111.4P106P106-Q108 PolarHBondContact O-N 3.18Å
109G57.4Low76.2Confident35 Ų3586.4 Ų86.436%0.36151%0.512SS..SBendtrans-126.818.6-18000000112.7K107K107-G109 PolarHBondContact O-N 3.02Å
110T63.6Low76.5Confident33 Ų3387.6 Ų87.620%0.20251%0.507CS..SBendtrans-146.3118.3156.1-45.20000104.8V114 E115 P149 I157T110-V114 HydrophobicContact CG2-CB 3.87Å; T110-V114 HydrophobicContact CG2-CG1 3.66Å; T110-E115 HydrophobicContact CG2-CG 3.59Å; T110-P149 HydrophobicContact CG2-CB 4.49Å; T110-P149 HydrophobicContact CG2-CG 4.34Å; T110-I157 HydrophobicContact CG2-CD1 3.99Å
111T76.8Confident76.9Confident59 Ų5982.4 Ų82.436%0.36247%0.465SS..  trans-76.2152.917353.70000108.5D113 V114 E115T111-D113 PolarHBondContact O-N 3.04Å; T111-V114 PolarHBondContact O-N 3.43Å; T111-V114 VanDerWaalsContact OG1-CG2 3.29Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.32Å; T111-V114 PolarHBondContact OG1-N 3.16Å; T111-E115 PolarHBondContact O-N 2.88Å; T111-E115 VanDerWaalsContact O-N 3.1Å
112P82.6Confident77.6Confident103 Ų10378.8 Ų78.867%0.66944%0.444SS*.Hα-helixtrans-60-20176.425.1-35000112.5R116P112-R116 WeakPolarHBondContact O-CB 3.44Å; P112-R116 PolarHBondContact O-N 2.99Å
113D85.4Confident78.7Confident74 Ų7483 Ų8340%0.39644%0.438SS..Hα-helixtrans-66.1-44.9171.8-142.978.9000112.6T111 R116 R117T111-D113 PolarHBondContact O-N 3.04Å; D113-R116 PolarHBondContact O-N 3.28Å; D113-R116 IonicContact OD1-CZ 3.98Å; D113-R116 VanDerWaalsContact OD1-CZ 3.25Å; D113-R116 IonicContact OD1-NH1 2.6Å; D113-R116 PolarHBondContact OD1-NH1 2.82Å; D113-R116 IonicContact OD1-NH2 2.61Å; D113-R116 PolarHBondContact OD1-NH2 2.82Å; D113-R116 IonicContact OD2-CZ 3.66Å; D113-R116 IonicContact OD2-NH1 3.66Å; D113-R116 IonicContact OD2-NH2 2.63Å; D113-R116 PolarHBondContact OD2-NH2 2.71Å; D113-R117 PolarHBondContact O-N 2.83Å
114V89.4Confident79.7Confident2 Ų283.4 Ų83.41%0.01242%0.418CS..Hα-helixtrans-69.9-36.9176.9174.20000111.1T110 T111 R117 I118 L137 I142 C143 P149T110-V114 HydrophobicContact CG2-CB 3.87Å; T110-V114 HydrophobicContact CG2-CG1 3.66Å; T111-V114 PolarHBondContact O-N 3.43Å; T111-V114 VanDerWaalsContact OG1-CG2 3.29Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.32Å; T111-V114 PolarHBondContact OG1-N 3.16Å; V114-R117 PolarHBondContact O-N 3.43Å; V114-I118 HydrophobicContact CG1-CD1 4Å; V114-I118 WeakPolarHBondContact O-CD1 3.34Å; V114-I118 VanDerWaalsContact O-CG1 3.24Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 3.48Å; V114-L137 HydrophobicContact CG1-CD1 3.82Å; V114-L137 HydrophobicContact CG1-CD2 4.2Å; V114-I142 HydrophobicContact CG2-CG2 4.13Å; V114-C143 WeakPolarHBondContact CG2-SG 3.39Å; V114-P149 HydrophobicContact CG1-CG 3.86Å
115E89.8Confident80.7Confident75 Ų7581.9 Ų81.935%0.3540%0.402SS..Hα-helixtrans-60.2-47.7172-62.1-171.7149.400111T110 T111 R117 I118 E119 I157T110-E115 HydrophobicContact CG2-CG 3.59Å; T111-E115 PolarHBondContact O-N 2.88Å; T111-E115 VanDerWaalsContact O-N 3.1Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 2.87Å; E115-I118 WeakPolarHBondContact O-CB 3.24Å; E115-I118 PolarHBondContact O-N 3.28Å; E115-E119 WeakPolarHBondContact O-CG 3.25Å; E115-E119 PolarHBondContact O-N 2.79Å; E115-I157 HydrophobicContact CG-CD1 4.17Å
116R89.8Confident81.8Confident129 Ų12977.6 Ų77.649%0.48739%0.393SS..Hα-helixtrans-58.2-41175.7-171.4-173.469.9-110.9-7.2112.5P112 D113 E119 E120P112-R116 WeakPolarHBondContact O-CB 3.44Å; P112-R116 PolarHBondContact O-N 2.99Å; D113-R116 PolarHBondContact O-N 3.28Å; D113-R116 IonicContact OD1-CZ 3.98Å; D113-R116 VanDerWaalsContact OD1-CZ 3.25Å; D113-R116 IonicContact OD1-NH1 2.6Å; D113-R116 PolarHBondContact OD1-NH1 2.82Å; D113-R116 IonicContact OD1-NH2 2.61Å; D113-R116 PolarHBondContact OD1-NH2 2.82Å; D113-R116 IonicContact OD2-CZ 3.66Å; D113-R116 IonicContact OD2-NH1 3.66Å; D113-R116 IonicContact OD2-NH2 2.63Å; D113-R116 PolarHBondContact OD2-NH2 2.71Å; R116-E119 PolarHBondContact O-N 3.04Å; R116-E120 WeakPolarHBondContact O-CB 3.46Å; R116-E120 PolarHBondContact O-N 3.34Å
117R91.4Very high83.2Confident47 Ų4774.8 Ų74.818%0.17739%0.387CS..Hα-helixtrans-72.1-33.6178.5-166.267.4165.9158.92.3112.9D113 V114 E115 E119 E120 Y121 L137 D140 I142D113-R117 PolarHBondContact O-N 2.83Å; V114-R117 PolarHBondContact O-N 3.43Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 2.87Å; R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E120 WeakPolarHBondContact CD-OE2 3.42Å; R117-E120 IonicContact CZ-OE2 2.75Å; R117-E120 IonicContact NE-OE2 3.15Å; R117-E120 IonicContact NH1-OE1 2.94Å; R117-E120 IonicContact NH1-OE2 2.63Å; R117-E120 PolarHBondContact NH1-OE2 2.79Å; R117-E120 PolarHBondContact O-N 2.89Å; R117-Y121 HydrophobicContact CG-CD1 4.35Å; R117-Y121 HydrophobicContact CG-CD2 4.41Å; R117-Y121 HydrophobicContact CG-CE1 3.78Å; R117-Y121 HydrophobicContact CG-CE2 3.82Å; R117-Y121 VanDerWaalsContact CG-CZ 3.45Å; R117-Y121 VanDerWaalsContact NE-CZ 3.31Å; R117-Y121 PolarHBondContact NE-OH 3.41Å; R117-Y121 VanDerWaalsContact O-CG 3.28Å; R117-Y121 PolarHBondContact O-N 3.17Å; R117-L137 HydrophobicContact CB-CD2 3.97Å; R117-L137 HydrophobicContact CG-CD2 3.86Å; R117-D140 IonicContact CZ-OD2 3.71Å; R117-D140 IonicContact NE-OD2 2.67Å; R117-D140 IonicContact NH2-OD2 2.73Å; R117-D140 PolarHBondContact NH2-OD2 3.32Å; R117-I142 HydrophobicContact CB-CG2 4.36Å; R117-I142 HydrophobicContact CG-CD1 3.62Å; R117-I142 HydrophobicContact CG-CG2 4.39Å; R117-I142 VanDerWaalsContact NE-CD1 3.26Å
118I91.6Very high84.8Confident0 Ų067 Ų670%035%0.353CS..Hα-helixtrans-61-43.8171-71.5162.6000110.5V114 E115 K122 I133 L137 P149 I154 I157 M158V114-I118 HydrophobicContact CG1-CD1 4Å; V114-I118 WeakPolarHBondContact O-CD1 3.34Å; V114-I118 VanDerWaalsContact O-CG1 3.24Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 3.48Å; E115-I118 WeakPolarHBondContact O-CB 3.24Å; E115-I118 PolarHBondContact O-N 3.28Å; I118-K122 WeakPolarHBondContact O-CB 3.45Å; I118-K122 PolarHBondContact O-N 2.93Å; I118-K122 VanDerWaalsContact O-N 3.15Å; I118-I133 HydrophobicContact CB-CG2 4.31Å; I118-I133 HydrophobicContact CG1-CG2 3.81Å; I118-I133 HydrophobicContact CG2-CG2 4.2Å; I118-L137 HydrophobicContact CD1-CD1 4.17Å; I118-L137 HydrophobicContact CG1-CD1 3.88Å; I118-P149 HydrophobicContact CD1-CG 4.14Å; I118-I154 HydrophobicContact CD1-CG1 4.01Å; I118-I154 HydrophobicContact CD1-CG2 4.5Å; I118-I154 HydrophobicContact CG2-CG2 4.14Å; I118-I157 HydrophobicContact CB-CG2 4.42Å; I118-I157 HydrophobicContact CD1-CD1 3.75Å; I118-I157 HydrophobicContact CG2-CB 4.45Å; I118-I157 HydrophobicContact CG2-CG2 3.9Å; I118-M158 HydrophobicContact CG2-CG 4.06Å
119E90.9Very high86.5Confident38 Ų3863.8 Ų63.818%0.17834%0.337CS..Hα-helixtrans-63.9-43.1175.7-70.3164-144.300112E115 R116 R117 K122 R123 K161 F162E115-E119 WeakPolarHBondContact O-CG 3.25Å; E115-E119 PolarHBondContact O-N 2.79Å; R116-E119 PolarHBondContact O-N 3.04Å; R117-E119 VanDerWaalsContact C-N 3.33Å; E119-K122 PolarHBondContact O-N 2.87Å; E119-R123 WeakPolarHBondContact O-CB 3.33Å; E119-R123 PolarHBondContact O-N 2.97Å; E119-K161 HydrophobicContact CG-CB 4.31Å; E119-K161 HydrophobicContact CG-CG 4.22Å; E119-K161 IonicContact OE1-NZ 2.72Å; E119-K161 PolarHBondContact OE1-NZ 3.35Å; E119-K161 IonicContact OE2-NZ 3.37Å; E119-K161 PolarHBondContact OE2-NZ 2.99Å; E119-F162 HydrophobicContact CB-CE2 4.21Å; E119-F162 HydrophobicContact CB-CZ 4.11Å; E119-F162 HydrophobicContact CG-CE2 3.99Å; E119-F162 HydrophobicContact CG-CZ 4.31Å; E119-F162 WeakPolarHBondContact O-CZ 3.08Å
120E92.3Very high88.1Confident63 Ų6363 Ų6329%0.29433%0.325SS..Hα-helixtrans-61.2-49.8177.5-169171.3-147.400112.1R116 R117 K122 R123 E124R116-E120 WeakPolarHBondContact O-CB 3.46Å; R116-E120 PolarHBondContact O-N 3.34Å; R117-E120 WeakPolarHBondContact CD-OE2 3.42Å; R117-E120 IonicContact CZ-OE2 2.75Å; R117-E120 IonicContact NE-OE2 3.15Å; R117-E120 IonicContact NH1-OE1 2.94Å; R117-E120 IonicContact NH1-OE2 2.63Å; R117-E120 PolarHBondContact NH1-OE2 2.79Å; R117-E120 PolarHBondContact O-N 2.89Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 3.33Å; E120-R123 PolarHBondContact O-N 2.82Å; E120-E124 WeakPolarHBondContact O-CG 3.18Å; E120-E124 PolarHBondContact O-N 2.95Å
121Y92.7Very high89.6Confident0 Ų068 Ų680%034%0.34CS..Hα-helixtrans-59.7-38.8176.6-66.2-18.8000113.3R117 N125 I133 K136 L137 D140R117-Y121 HydrophobicContact CG-CD1 4.35Å; R117-Y121 HydrophobicContact CG-CD2 4.41Å; R117-Y121 HydrophobicContact CG-CE1 3.78Å; R117-Y121 HydrophobicContact CG-CE2 3.82Å; R117-Y121 VanDerWaalsContact CG-CZ 3.45Å; R117-Y121 VanDerWaalsContact NE-CZ 3.31Å; R117-Y121 PolarHBondContact NE-OH 3.41Å; R117-Y121 VanDerWaalsContact O-CG 3.28Å; R117-Y121 PolarHBondContact O-N 3.17Å; Y121-N125 PolarHBondContact O-N 3.48Å; Y121-I133 HydrophobicContact CD2-CG2 4.19Å; Y121-K136 HydrophobicContact CD1-CD 3.61Å; Y121-K136 HydrophobicContact CD1-CG 4.42Å; Y121-K136 HydrophobicContact CD2-CB 4.06Å; Y121-K136 HydrophobicContact CD2-CD 3.94Å; Y121-K136 HydrophobicContact CD2-CG 4.21Å; Y121-K136 HydrophobicContact CE1-CD 3.47Å; Y121-K136 VanDerWaalsContact CE1-CD 3.47Å; Y121-K136 HydrophobicContact CE1-CG 3.87Å; Y121-K136 HydrophobicContact CE2-CB 3.64Å; Y121-K136 HydrophobicContact CE2-CD 3.87Å; Y121-K136 HydrophobicContact CE2-CG 3.69Å; Y121-K136 HydrophobicContact CG-CD 3.85Å; Y121-K136 PolarHBondContact OH-O 2.97Å; Y121-L137 HydrophobicContact CE2-CD2 3.89Å; Y121-L137 HydrophobicContact CE2-CG 3.96Å; Y121-D140 WeakPolarHBondContact OH-CB 3.48Å; Y121-D140 VanDerWaalsContact OH-CG 3.23Å; Y121-D140 PolarHBondContact OH-OD2 3.21Å
122K90.4Very high90.5Very high41 Ų4168.3 Ų68.318%0.17834%0.338CS..Hα-helixtrans-73.9-28.2179.3-169.951.7164.6-174.20112.5I118 E119 E120 N125 P126 M128 I133 M158 F162I118-K122 WeakPolarHBondContact O-CB 3.45Å; I118-K122 PolarHBondContact O-N 2.93Å; I118-K122 VanDerWaalsContact O-N 3.15Å; E119-K122 PolarHBondContact O-N 2.87Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 3.33Å; K122-N125 CarbonylContact O-C 3.55Å; K122-N125 VanDerWaalsContact O-C 3.27Å; K122-P126 VanDerWaalsContact CE-O 3.29Å; K122-P126 WeakPolarHBondContact CE-O 3.49Å; K122-P126 PolarHBondContact NZ-O 2.89Å; K122-P126 WeakPolarHBondContact O-CA 3.45Å; K122-M128 PolarHBondContact NZ-O 2.93Å; K122-I133 HydrophobicContact CB-CD1 4.33Å; K122-M158 HydrophobicContact CD-CE 3.73Å; K122-M158 VanDerWaalsContact CE-CE 3.45Å; K122-M158 HydrophobicContact CG-CE 4.17Å; K122-F162 HydrophobicContact CB-CE2 3.99Å; K122-F162 HydrophobicContact CB-CZ 3.99Å; K122-F162 HydrophobicContact CG-CD1 4.5Å; K122-F162 HydrophobicContact CG-CD2 4.15Å; K122-F162 HydrophobicContact CG-CE1 4.42Å; K122-F162 HydrophobicContact CG-CE2 4.09Å; K122-F162 HydrophobicContact CG-CG 4.37Å; K122-F162 HydrophobicContact CG-CZ 4.23Å
123R91Very high91Very high159 Ų15963.4 Ų63.460%0.631%0.306SS*.Hα-helixtrans-75.8-41.4171.8177.5172.257-131.4-6.7112.5E119 E120 N125E119-R123 WeakPolarHBondContact O-CB 3.33Å; E119-R123 PolarHBondContact O-N 2.97Å; E120-R123 PolarHBondContact O-N 2.82Å; R123-N125 VanDerWaalsContact C-N 3.28Å; R123-N125 PolarHBondContact O-N 3.05Å
124E91.5Very high91.4Very high90 Ų9063.4 Ų63.442%0.42130%0.3SS..Hα-helixtrans-60.5-39.3172.2-71.6170.8170.800111.5E120 K136E120-E124 WeakPolarHBondContact O-CG 3.18Å; E120-E124 PolarHBondContact O-N 2.95Å; E124-K136 IonicContact OE2-NZ 2.7Å; E124-K136 PolarHBondContact OE2-NZ 3.29Å
125N89.3Confident91.6Very high76 Ų7666.7 Ų66.741%0.40632%0.318SS..  trans-138.487.6-174.9-69.7-94000110.6Y121 K122 R123 G127 M128Y121-N125 PolarHBondContact O-N 3.48Å; K122-N125 CarbonylContact O-C 3.55Å; K122-N125 VanDerWaalsContact O-C 3.27Å; R123-N125 VanDerWaalsContact C-N 3.28Å; R123-N125 PolarHBondContact O-N 3.05Å; N125-G127 PolarHBondContact O-N 2.94Å; N125-G127 VanDerWaalsContact O-N 3.09Å; N125-M128 HydrophobicContact CB-CB 3.88Å; N125-M128 HydrophobicContact CB-CE 3.92Å; N125-M128 VanDerWaalsContact O-CB 3.25Å; N125-M128 WeakPolarHBondContact O-CB 3.31Å; N125-M128 PolarHBondContact O-N 3.29Å
126P87.5Confident91.8Very high99 Ų9965.4 Ų65.464%0.64331%0.311SS*.THydrogen-bonded Turntrans-57.8-23.8178.9-29.137.4000114.6K122K122-P126 VanDerWaalsContact CE-O 3.29Å; K122-P126 WeakPolarHBondContact CE-O 3.49Å; K122-P126 PolarHBondContact NZ-O 2.89Å; K122-P126 WeakPolarHBondContact O-CA 3.45Å
127G89Confident91.9Very high62 Ų6259.3 Ų59.364%0.63929%0.288SS*.THydrogen-bonded Turntrans-72.5-2117200000115N125 F129N125-G127 PolarHBondContact O-N 2.94Å; N125-G127 VanDerWaalsContact O-N 3.09Å; G127-F129 PolarHBondContact O-N 3.42Å
128M90.7Very high92Very high28 Ų2859.1 Ų59.114%0.13829%0.291CS..  trans-65131.9-164.7-165.5179.7-79.900113.2K122 N125 E132 I133 K136K122-M128 PolarHBondContact NZ-O 2.93Å; N125-M128 HydrophobicContact CB-CB 3.88Å; N125-M128 HydrophobicContact CB-CE 3.92Å; N125-M128 VanDerWaalsContact O-CB 3.25Å; N125-M128 WeakPolarHBondContact O-CB 3.31Å; N125-M128 PolarHBondContact O-N 3.29Å; M128-E132 WeakPolarHBondContact CA-OE2 3.01Å; M128-E132 HydrophobicContact CG-CB 3.57Å; M128-E132 WeakPolarHBondContact CG-OE2 3.43Å; M128-E132 HydrophobicContact SD-CB 4.22Å; M128-I133 HydrophobicContact CB-CG1 4.45Å; M128-I133 HydrophobicContact CG-CG1 3.85Å; M128-I133 HydrophobicContact SD-CG1 3.63Å; M128-K136 HydrophobicContact CE-CD 4.24Å; M128-K136 HydrophobicContact SD-CD 4.46Å
129F92.6Very high92.1Very high127 Ų12767.8 Ų67.856%0.55733%0.329SS*.  trans-83.2156.7-178.7-65.1-75000112.5G127 W131 E132 I133G127-F129 PolarHBondContact O-N 3.42Å; F129-W131 HydrophobicContact CB-CG 4.39Å; F129-W131 AromaticContact CG-NE1 3.84Å; F129-W131 PolarHBondContact O-N 2.79Å; F129-E132 HydrophobicContact CB-CG 4.34Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.45Å; F129-E132 PolarHBondContact N-OE2 3.17Å; F129-E132 PolarHBondContact O-N 3.35Å; F129-E132 VanDerWaalsContact O-N 3.11Å; F129-I133 PolarHBondContact O-N 2.97Å
130S92.8Very high92.2Very high17 Ų1769 Ų6912%0.11934%0.336CS..Hα-helixtrans-62.6-14.4-179.2-470000115.1I154 S155 M158S130-I154 WeakPolarHBondContact O-CD1 3.3Å; S130-S155 VanDerWaalsContact CB-OG 3.25Å; S130-S155 WeakPolarHBondContact CB-OG 3.41Å; S130-S155 PolarHBondContact OG-OG 3.29Å; S130-M158 PolarHBondContact OG-SD 3.26Å
131W93.9Very high92Very high138 Ų13869.1 Ų69.152%0.52335%0.354SS..Hα-helixtrans-89.7-39.8173.565.3-92.7000111.5F129 I133 R134 D135 V151F129-W131 HydrophobicContact CB-CG 4.39Å; F129-W131 AromaticContact CG-NE1 3.84Å; F129-W131 PolarHBondContact O-N 2.79Å; W131-I133 VanDerWaalsContact C-N 3.33Å; W131-I133 PolarHBondContact O-N 3.3Å; W131-R134 WeakPolarHBondContact O-CA 3.18Å; W131-R134 VanDerWaalsContact O-CB 3.22Å; W131-R134 WeakPolarHBondContact O-CB 3.47Å; W131-R134 PolarHBondContact O-N 2.76Å; W131-D135 PolarHBondContact O-N 3.46Å; W131-V151 HydrophobicContact CB-CG1 4.49Å; W131-V151 HydrophobicContact CB-CG2 4.36Å
132E95.3Very high91.8Very high66 Ų6671.6 Ų71.631%0.30837%0.367SS..Hα-helixtrans-61.6-42.7172.1-61.6171.114300111M128 F129 R134 D135 K136M128-E132 WeakPolarHBondContact CA-OE2 3.01Å; M128-E132 HydrophobicContact CG-CB 3.57Å; M128-E132 WeakPolarHBondContact CG-OE2 3.43Å; M128-E132 HydrophobicContact SD-CB 4.22Å; F129-E132 HydrophobicContact CB-CG 4.34Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.45Å; F129-E132 PolarHBondContact N-OE2 3.17Å; F129-E132 PolarHBondContact O-N 3.35Å; F129-E132 VanDerWaalsContact O-N 3.11Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.75Å; E132-D135 PolarHBondContact O-N 3.23Å; E132-K136 WeakPolarHBondContact O-CB 3.38Å; E132-K136 PolarHBondContact O-N 3.46Å
133I93.5Very high91.7Very high0 Ų070 Ų700%036%0.36CS..Hα-helixtrans-57.3-41.8171.7-73.1169.6000110.9I118 Y121 K122 M128 F129 W131 L137 I154 M158I118-I133 HydrophobicContact CB-CG2 4.31Å; I118-I133 HydrophobicContact CG1-CG2 3.81Å; I118-I133 HydrophobicContact CG2-CG2 4.2Å; Y121-I133 HydrophobicContact CD2-CG2 4.19Å; K122-I133 HydrophobicContact CB-CD1 4.33Å; M128-I133 HydrophobicContact CB-CG1 4.45Å; M128-I133 HydrophobicContact CG-CG1 3.85Å; M128-I133 HydrophobicContact SD-CG1 3.63Å; F129-I133 PolarHBondContact O-N 2.97Å; W131-I133 VanDerWaalsContact C-N 3.33Å; W131-I133 PolarHBondContact O-N 3.3Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.06Å; I133-I154 HydrophobicContact CB-CG2 4.09Å; I133-I154 HydrophobicContact CD1-CG2 4.44Å; I133-I154 HydrophobicContact CG2-CD1 4.4Å; I133-I154 HydrophobicContact CG2-CG2 3.55Å; I133-M158 HydrophobicContact CD1-CE 3.66Å; I133-M158 HydrophobicContact CD1-CG 4.4Å; I133-M158 HydrophobicContact CD1-SD 3.65Å
134R93.6Very high91.6Very high74 Ų7468 Ų6828%0.27936%0.362SS..Hα-helixtrans-63.8-44.5178-169-166.1178.3-152.4-1111.6W131 E132 L137 L138 V148 I154W131-R134 WeakPolarHBondContact O-CA 3.18Å; W131-R134 VanDerWaalsContact O-CB 3.22Å; W131-R134 WeakPolarHBondContact O-CB 3.47Å; W131-R134 PolarHBondContact O-N 2.76Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.75Å; R134-L137 WeakPolarHBondContact O-CB 3.45Å; R134-L137 PolarHBondContact O-N 3.01Å; R134-L138 WeakPolarHBondContact O-CG 3.5Å; R134-L138 PolarHBondContact O-N 3.09Å; R134-L138 VanDerWaalsContact O-N 3.15Å; R134-V148 HydrophobicContact CG-CG2 3.55Å; R134-I154 HydrophobicContact CB-CD1 3.57Å; R134-I154 HydrophobicContact CG-CD1 3.95Å
135D93.9Very high91.4Very high72 Ų7272.4 Ų72.439%0.38537%0.374SS..Hα-helixtrans-76.4-29-177.1-64.9-23.7000111.4W131 E132 L138 K139W131-D135 PolarHBondContact O-N 3.46Å; E132-D135 PolarHBondContact O-N 3.23Å; D135-L138 PolarHBondContact O-N 2.91Å; D135-K139 VanDerWaalsContact O-CB 3.28Å; D135-K139 WeakPolarHBondContact O-CB 3.1Å; D135-K139 PolarHBondContact O-N 3.21Å
136K93.5Very high91.2Very high48 Ų4876.5 Ų76.521%0.20940%0.397CS..Hα-helixtrans-70.5-33.2168.5-160.8-178.7172.9-173.10112.6Y121 E124 M128 E132 L138 K139 D140Y121-K136 HydrophobicContact CD1-CD 3.61Å; Y121-K136 HydrophobicContact CD1-CG 4.42Å; Y121-K136 HydrophobicContact CD2-CB 4.06Å; Y121-K136 HydrophobicContact CD2-CD 3.94Å; Y121-K136 HydrophobicContact CD2-CG 4.21Å; Y121-K136 HydrophobicContact CE1-CD 3.47Å; Y121-K136 VanDerWaalsContact CE1-CD 3.47Å; Y121-K136 HydrophobicContact CE1-CG 3.87Å; Y121-K136 HydrophobicContact CE2-CB 3.64Å; Y121-K136 HydrophobicContact CE2-CD 3.87Å; Y121-K136 HydrophobicContact CE2-CG 3.69Å; Y121-K136 HydrophobicContact CG-CD 3.85Å; Y121-K136 PolarHBondContact OH-O 2.97Å; E124-K136 IonicContact OE2-NZ 2.7Å; E124-K136 PolarHBondContact OE2-NZ 3.29Å; M128-K136 HydrophobicContact CE-CD 4.24Å; M128-K136 HydrophobicContact SD-CD 4.46Å; E132-K136 WeakPolarHBondContact O-CB 3.38Å; E132-K136 PolarHBondContact O-N 3.46Å; K136-L138 VanDerWaalsContact C-N 3.33Å; K136-K139 PolarHBondContact O-N 3.47Å; K136-D140 WeakPolarHBondContact O-CB 3.31Å; K136-D140 PolarHBondContact O-N 3.3Å
137L93.3Very high91.2Very high0 Ų074.6 Ų74.60%038%0.381CS..Hα-helixtrans-64.2-36.9170.2-77.3174.2000112.2V114 R117 I118 Y121 I133 R134 I142 C143 V148 P149 I154V114-L137 HydrophobicContact CG1-CD1 3.82Å; V114-L137 HydrophobicContact CG1-CD2 4.2Å; R117-L137 HydrophobicContact CB-CD2 3.97Å; R117-L137 HydrophobicContact CG-CD2 3.86Å; I118-L137 HydrophobicContact CD1-CD1 4.17Å; I118-L137 HydrophobicContact CG1-CD1 3.88Å; Y121-L137 HydrophobicContact CE2-CD2 3.89Å; Y121-L137 HydrophobicContact CE2-CG 3.96Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.06Å; R134-L137 WeakPolarHBondContact O-CB 3.45Å; R134-L137 PolarHBondContact O-N 3.01Å; L137-I142 HydrophobicContact CD2-CB 4.34Å; L137-I142 HydrophobicContact CD2-CG2 3.93Å; L137-I142 PolarHBondContact O-N 3.21Å; L137-I142 VanDerWaalsContact O-N 3.12Å; L137-C143 HydrophobicContact CB-CB 4.31Å; L137-C143 PolarHBondContact O-N 3.16Å; L137-V148 HydrophobicContact CB-CG2 4.37Å; L137-V148 HydrophobicContact CD1-CG2 4.49Å; L137-P149 HydrophobicContact CD1-CG 4.07Å; L137-I154 HydrophobicContact CD1-CD1 4.5Å
138L93.2Very high91.2Very high44 Ų4472.4 Ų72.423%0.2336%0.355CS..Hα-helixtrans-71.5-45174.3-68.5172000111.6R134 D135 K136 G141 C143 V148R134-L138 WeakPolarHBondContact O-CG 3.5Å; R134-L138 PolarHBondContact O-N 3.09Å; R134-L138 VanDerWaalsContact O-N 3.15Å; D135-L138 PolarHBondContact O-N 2.91Å; K136-L138 VanDerWaalsContact C-N 3.33Å; L138-G141 PolarHBondContact O-N 3.35Å; L138-C143 WeakPolarHBondContact CD2-O 3.39Å; L138-V148 HydrophobicContact CD2-CB 3.89Å; L138-V148 HydrophobicContact CD2-CG1 4.01Å; L138-V148 HydrophobicContact CD2-CG2 4.15Å; L138-V148 HydrophobicContact CG-CB 4.41Å; L138-V148 HydrophobicContact CG-CG2 4.14Å
139K93.7Very high91.1Very high182 Ų18271.4 Ų71.479%0.79135%0.35SS*.Hα-helixtrans-64.6-40.5-177.4-177.1179.1174.5-178.40112.9D135 K136 G141D135-K139 VanDerWaalsContact O-CB 3.28Å; D135-K139 WeakPolarHBondContact O-CB 3.1Å; D135-K139 PolarHBondContact O-N 3.21Å; K136-K139 PolarHBondContact O-N 3.47Å; K139-G141 PolarHBondContact O-N 3.13Å
140D91.6Very high91Very high64 Ų6468.2 Ų68.234%0.34234%0.344SS..THydrogen-bonded Turntrans-81.13.1-179.9-68.525.6000112.3R117 Y121 K136 I142R117-D140 IonicContact CZ-OD2 3.71Å; R117-D140 IonicContact NE-OD2 2.67Å; R117-D140 IonicContact NH2-OD2 2.73Å; R117-D140 PolarHBondContact NH2-OD2 3.32Å; Y121-D140 WeakPolarHBondContact OH-CB 3.48Å; Y121-D140 VanDerWaalsContact OH-CG 3.23Å; Y121-D140 PolarHBondContact OH-OD2 3.21Å; K136-D140 WeakPolarHBondContact O-CB 3.31Å; K136-D140 PolarHBondContact O-N 3.3Å; D140-I142 HydrophobicContact CB-CD1 3.94Å; D140-I142 HydrophobicContact CB-CG1 4.27Å; D140-I142 PolarHBondContact O-N 2.9Å
141G88.8Confident91Very high64 Ų6469.8 Ų69.866%0.6635%0.353SS*.THydrogen-bonded Turntrans73.49.5177.800000115.2L138 K139L138-G141 PolarHBondContact O-N 3.35Å; K139-G141 PolarHBondContact O-N 3.13Å
142I88.3Confident90.7Very high53 Ų5367 Ų6727%0.27235%0.354SS..SBendtrans-82.8-17.2-174.2-66.3168.7000111.6V114 R117 L137 D140V114-I142 HydrophobicContact CG2-CG2 4.13Å; R117-I142 HydrophobicContact CB-CG2 4.36Å; R117-I142 HydrophobicContact CG-CD1 3.62Å; R117-I142 HydrophobicContact CG-CG2 4.39Å; R117-I142 VanDerWaalsContact NE-CD1 3.26Å; L137-I142 HydrophobicContact CD2-CB 4.34Å; L137-I142 HydrophobicContact CD2-CG2 3.93Å; L137-I142 PolarHBondContact O-N 3.21Å; L137-I142 VanDerWaalsContact O-N 3.12Å; D140-I142 HydrophobicContact CB-CD1 3.94Å; D140-I142 HydrophobicContact CB-CG1 4.27Å; D140-I142 PolarHBondContact O-N 2.9Å
143C88.1Confident90.4Very high6 Ų665 Ų654%0.04135%0.348CS..SBendtrans-137.1137168.1-71.70000111.8V114 L137 L138 V148V114-C143 WeakPolarHBondContact CG2-SG 3.39Å; L137-C143 HydrophobicContact CB-CB 4.31Å; L137-C143 PolarHBondContact O-N 3.16Å; L138-C143 WeakPolarHBondContact CD2-O 3.39Å; C143-V148 HydrophobicContact CB-CB 3.66Å; C143-V148 HydrophobicContact CB-CG2 3.88Å
144D88.7Confident90.3Very high119 Ų11965 Ų6564%0.63635%0.348SS*.  trans-72.1162161.2-64.3-65.5000112N146 N147 V148D144-N146 PolarHBondContact O-N 2.97Å; D144-N147 HydrophobicContact CB-CB 4.35Å; D144-N147 PolarHBondContact O-N 3.42Å; D144-V148 WeakPolarHBondContact O-CB 3.47Å; D144-V148 PolarHBondContact O-N 3.4Å
145R88.6Confident90.1Very high181 Ų18162.7 Ų62.768%0.68334%0.343SS*.THydrogen-bonded Turntrans-51.6-27.1171.8-164.964.3166.4-167-4.6113.8
146N85.3Confident89.8Confident163 Ų16365.9 Ų65.987%0.87235%0.349SS*.THydrogen-bonded Turntrans-94.6-18.7-179.4-62.8-17.1000114.1D144D144-N146 PolarHBondContact O-N 2.97Å
147N86.8Confident89.6Confident59 Ų5964.5 Ų64.532%0.31634%0.344SS..THydrogen-bonded Turntrans-106.4-17-178-170.339.5000112.7D144D144-N147 HydrophobicContact CB-CB 4.35Å; D144-N147 PolarHBondContact O-N 3.42Å
148V89Confident89.3Confident16 Ų1665.4 Ų65.410%0.09735%0.349CS..SBendtrans-61127.2-17872.70000111.4R134 L137 L138 C143 D144R134-V148 HydrophobicContact CG-CG2 3.55Å; L137-V148 HydrophobicContact CB-CG2 4.37Å; L137-V148 HydrophobicContact CD1-CG2 4.49Å; L138-V148 HydrophobicContact CD2-CB 3.89Å; L138-V148 HydrophobicContact CD2-CG1 4.01Å; L138-V148 HydrophobicContact CD2-CG2 4.15Å; L138-V148 HydrophobicContact CG-CB 4.41Å; L138-V148 HydrophobicContact CG-CG2 4.14Å; C143-V148 HydrophobicContact CB-CB 3.66Å; C143-V148 HydrophobicContact CB-CG2 3.88Å; D144-V148 WeakPolarHBondContact O-CB 3.47Å; D144-V148 PolarHBondContact O-N 3.4Å
149P89.4Confident88.9Confident6 Ų670.8 Ų70.84%0.03937%0.366CS..PPolyproline II helixtrans-62.5148.8178.322.9-32000111.3T110 V114 I118 L137 I154T110-P149 HydrophobicContact CG2-CB 4.49Å; T110-P149 HydrophobicContact CG2-CG 4.34Å; V114-P149 HydrophobicContact CG1-CG 3.86Å; I118-P149 HydrophobicContact CD1-CG 4.14Å; L137-P149 HydrophobicContact CD1-CG 4.07Å; P149-I154 HydrophobicContact CB-CG1 4.06Å; P149-I154 HydrophobicContact CG-CD1 4.11Å; P149-I154 HydrophobicContact CG-CG1 3.77Å
150S90.4Very high88.3Confident60 Ų6067.8 Ų67.842%0.4236%0.363SS..PPolyproline II helixtrans-66.6150.7174.862.90000111.1S152 S153 I154S150-S152 PolarHBondContact O-N 3.11Å; S150-S152 VanDerWaalsContact O-N 3.17Å; S150-S153 WeakPolarHBondContact O-CA 3.32Å; S150-S153 WeakPolarHBondContact O-CB 3.41Å; S150-S153 PolarHBondContact O-N 3.46Å; S150-S153 PolarHBondContact OG-OG 2.75Å; S150-I154 PolarHBondContact O-N 2.63Å
151V91.6Very high87.5Confident50 Ų5070 Ų7030%0.30337%0.369SS..Hα-helixtrans-50.7-43.4179.4-1770000111.3W131 S153 I154 S155W131-V151 HydrophobicContact CB-CG1 4.49Å; W131-V151 HydrophobicContact CB-CG2 4.36Å; V151-S153 VanDerWaalsContact C-N 3.25Å; V151-S153 PolarHBondContact O-N 3.29Å; V151-I154 PolarHBondContact O-N 2.85Å; V151-S155 PolarHBondContact O-N 3.21Å; V151-S155 PolarHBondContact O-OG 2.95Å
152S88.9Confident86.8Confident80 Ų8071.2 Ų71.256%0.55936%0.357SS*.Hα-helixtrans-65.6-22.2176.5-33.70000114.4S150 R156S150-S152 PolarHBondContact O-N 3.11Å; S150-S152 VanDerWaalsContact O-N 3.17Å; S152-R156 WeakPolarHBondContact O-CG 3.45Å; S152-R156 PolarHBondContact O-N 2.94Å; S152-R156 PolarHBondContact O-NE 2.94Å
153S88.9Confident85.5Confident24 Ų2471.5 Ų71.517%0.16837%0.373CS..Hα-helixtrans-83.4-41.8174.2-53.90000111.1S150 V151 S155 R156 I157S150-S153 WeakPolarHBondContact O-CA 3.32Å; S150-S153 WeakPolarHBondContact O-CB 3.41Å; S150-S153 PolarHBondContact O-N 3.46Å; S150-S153 PolarHBondContact OG-OG 2.75Å; V151-S153 VanDerWaalsContact C-N 3.25Å; V151-S153 PolarHBondContact O-N 3.29Å; S153-S155 VanDerWaalsContact C-N 3.35Å; S153-S155 PolarHBondContact O-N 2.98Å; S153-R156 WeakPolarHBondContact O-CB 3.42Å; S153-R156 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact OG-NH2 2.98Å; S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 3.17Å
154I90.6Very high83.8Confident0 Ų074.1 Ų74.10%040%0.401CS..Hα-helixtrans-56.3-49.3170.2-62.9167.9000109.8I118 S130 I133 R134 L137 P149 S150 V151 R156 I157 M158I118-I154 HydrophobicContact CD1-CG1 4.01Å; I118-I154 HydrophobicContact CD1-CG2 4.5Å; I118-I154 HydrophobicContact CG2-CG2 4.14Å; S130-I154 WeakPolarHBondContact O-CD1 3.3Å; I133-I154 HydrophobicContact CB-CG2 4.09Å; I133-I154 HydrophobicContact CD1-CG2 4.44Å; I133-I154 HydrophobicContact CG2-CD1 4.4Å; I133-I154 HydrophobicContact CG2-CG2 3.55Å; R134-I154 HydrophobicContact CB-CD1 3.57Å; R134-I154 HydrophobicContact CG-CD1 3.95Å; L137-I154 HydrophobicContact CD1-CD1 4.5Å; P149-I154 HydrophobicContact CB-CG1 4.06Å; P149-I154 HydrophobicContact CG-CD1 4.11Å; P149-I154 HydrophobicContact CG-CG1 3.77Å; S150-I154 PolarHBondContact O-N 2.63Å; V151-I154 PolarHBondContact O-N 2.85Å; I154-R156 PolarHBondContact O-N 3.3Å; I154-R156 VanDerWaalsContact O-N 3.16Å; I154-I157 PolarHBondContact O-N 3.48Å; I154-I157 VanDerWaalsContact O-N 3.15Å; I154-M158 HydrophobicContact CG2-CG 4.36Å; I154-M158 HydrophobicContact CG2-SD 3.7Å; I154-M158 VanDerWaalsContact O-CG 3.28Å; I154-M158 WeakPolarHBondContact O-CG 3.47Å; I154-M158 PolarHBondContact O-N 3.14Å
155S90.3Very high82Confident25 Ų2575.1 Ų75.118%0.17540%0.4CS..Hα-helixtrans-61.2-23.8175.5-54.50000114.5S130 V151 S153 R159S130-S155 VanDerWaalsContact CB-OG 3.25Å; S130-S155 WeakPolarHBondContact CB-OG 3.41Å; S130-S155 PolarHBondContact OG-OG 3.29Å; V151-S155 PolarHBondContact O-N 3.21Å; V151-S155 PolarHBondContact O-OG 2.95Å; S153-S155 VanDerWaalsContact C-N 3.35Å; S153-S155 PolarHBondContact O-N 2.98Å; S155-R159 WeakPolarHBondContact O-CG 3.4Å; S155-R159 PolarHBondContact O-N 3.03Å; S155-R159 PolarHBondContact O-NH1 2.81Å
156R87.4Confident80Confident139 Ų13969.6 Ų69.653%0.52540%0.399SS..Hα-helixtrans-76.4-48.8173-80.5-179.5-67.1-140.5-1.2110.8S152 S153 I154 M158 R159 T160S152-R156 WeakPolarHBondContact O-CG 3.45Å; S152-R156 PolarHBondContact O-N 2.94Å; S152-R156 PolarHBondContact O-NE 2.94Å; S153-R156 WeakPolarHBondContact O-CB 3.42Å; S153-R156 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact OG-NH2 2.98Å; I154-R156 PolarHBondContact O-N 3.3Å; I154-R156 VanDerWaalsContact O-N 3.16Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.36Å; R156-R159 PolarHBondContact O-N 3.49Å; R156-T160 WeakPolarHBondContact O-CB 3.25Å; R156-T160 PolarHBondContact O-N 2.98Å; R156-T160 PolarHBondContact O-OG1 2.91Å
157I88Confident78.3Confident20 Ų2070.2 Ų70.210%0.10340%0.397CS..Hα-helixtrans-55.3-47.7176-65.7157.7000109.9T110 E115 I118 S153 I154 R159 T160 K161T110-I157 HydrophobicContact CG2-CD1 3.99Å; E115-I157 HydrophobicContact CG-CD1 4.17Å; I118-I157 HydrophobicContact CB-CG2 4.42Å; I118-I157 HydrophobicContact CD1-CD1 3.75Å; I118-I157 HydrophobicContact CG2-CB 4.45Å; I118-I157 HydrophobicContact CG2-CG2 3.9Å; S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 3.17Å; I154-I157 PolarHBondContact O-N 3.48Å; I154-I157 VanDerWaalsContact O-N 3.15Å; I157-R159 PolarHBondContact O-N 3.29Å; I157-T160 PolarHBondContact O-N 3.22Å; I157-K161 PolarHBondContact O-N 3.48Å; I157-K161 VanDerWaalsContact O-N 3.09Å
158M87.5Confident76.4Confident19 Ų1974.5 Ų74.59%0.09442%0.415CS..Hα-helixtrans-57.1-49.1176-67.3164.876.700112.4I118 K122 S130 I133 I154 R156 T160 K161 F162I118-M158 HydrophobicContact CG2-CG 4.06Å; K122-M158 HydrophobicContact CD-CE 3.73Å; K122-M158 VanDerWaalsContact CE-CE 3.45Å; K122-M158 HydrophobicContact CG-CE 4.17Å; S130-M158 PolarHBondContact OG-SD 3.26Å; I133-M158 HydrophobicContact CD1-CE 3.66Å; I133-M158 HydrophobicContact CD1-CG 4.4Å; I133-M158 HydrophobicContact CD1-SD 3.65Å; I154-M158 HydrophobicContact CG2-CG 4.36Å; I154-M158 HydrophobicContact CG2-SD 3.7Å; I154-M158 VanDerWaalsContact O-CG 3.28Å; I154-M158 WeakPolarHBondContact O-CG 3.47Å; I154-M158 PolarHBondContact O-N 3.14Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.36Å; M158-T160 PolarHBondContact O-N 3.3Å; M158-K161 PolarHBondContact O-N 3.43Å; M158-F162 WeakPolarHBondContact O-CB 3.41Å; M158-F162 WeakPolarHBondContact O-CD2 3.37Å; M158-F162 PolarHBondContact O-N 3.42Å
159R84.9Confident74.5Confident156 Ų15678.7 Ų78.759%0.58943%0.433SS*.Hα-helixtrans-66.3-37.7178.2-75-169-58.8-90.72.6113.1S155 R156 I157 K161 G163S155-R159 WeakPolarHBondContact O-CG 3.4Å; S155-R159 PolarHBondContact O-N 3.03Å; S155-R159 PolarHBondContact O-NH1 2.81Å; R156-R159 PolarHBondContact O-N 3.49Å; I157-R159 PolarHBondContact O-N 3.29Å; R159-K161 PolarHBondContact O-N 3.2Å; R159-G163 VanDerWaalsContact O-CA 3.26Å; R159-G163 WeakPolarHBondContact O-CA 3.48Å; R159-G163 PolarHBondContact O-N 3.39Å
160T80.6Confident72.6Confident119 Ų11986.5 Ų86.573%0.7347%0.469SS*.Hα-helixtrans-69.3-17.4178-62.30000113.4R156 I157 M158R156-T160 WeakPolarHBondContact O-CB 3.25Å; R156-T160 PolarHBondContact O-N 2.98Å; R156-T160 PolarHBondContact O-OG1 2.91Å; I157-T160 PolarHBondContact O-N 3.22Å; M158-T160 PolarHBondContact O-N 3.3Å
161K76.2Confident70.7Confident110 Ų11090.3 Ų90.348%0.47848%0.481SS..Hα-helixtrans-114.3-22.3-178.9-65.9-58.4-162.4730115.6E119 I157 M158 R159E119-K161 HydrophobicContact CG-CB 4.31Å; E119-K161 HydrophobicContact CG-CG 4.22Å; E119-K161 IonicContact OE1-NZ 2.72Å; E119-K161 PolarHBondContact OE1-NZ 3.35Å; E119-K161 IonicContact OE2-NZ 3.37Å; E119-K161 PolarHBondContact OE2-NZ 2.99Å; I157-K161 PolarHBondContact O-N 3.48Å; I157-K161 VanDerWaalsContact O-N 3.09Å; M158-K161 PolarHBondContact O-N 3.43Å; R159-K161 PolarHBondContact O-N 3.2Å
162F73.1Confident68.9Low90 Ų9094.7 Ų94.740%0.39550%0.497SS..Hα-helixtrans-128-6.7-177.5-58.5-91.3000113.6E119 K122 M158E119-F162 HydrophobicContact CB-CE2 4.21Å; E119-F162 HydrophobicContact CB-CZ 4.11Å; E119-F162 HydrophobicContact CG-CE2 3.99Å; E119-F162 HydrophobicContact CG-CZ 4.31Å; E119-F162 WeakPolarHBondContact O-CZ 3.08Å; K122-F162 HydrophobicContact CB-CE2 3.99Å; K122-F162 HydrophobicContact CB-CZ 3.99Å; K122-F162 HydrophobicContact CG-CD1 4.5Å; K122-F162 HydrophobicContact CG-CD2 4.15Å; K122-F162 HydrophobicContact CG-CE1 4.42Å; K122-F162 HydrophobicContact CG-CE2 4.09Å; K122-F162 HydrophobicContact CG-CG 4.37Å; K122-F162 HydrophobicContact CG-CZ 4.23Å; M158-F162 WeakPolarHBondContact O-CB 3.41Å; M158-F162 WeakPolarHBondContact O-CD2 3.37Å; M158-F162 PolarHBondContact O-N 3.42Å
163G60.3Low67Low60 Ų6097 Ų9762%0.61950%0.504SS*.SBendtrans-101.440.4-174.100000114.3R159R159-G163 VanDerWaalsContact O-CA 3.26Å; R159-G163 WeakPolarHBondContact O-CA 3.48Å; R159-G163 PolarHBondContact O-N 3.39Å
164G53.3Low65.5Low61 Ų61103.2 Ų103.263%0.62953%0.53SS*.SBendtrans165.841.7-177.500000113.5
165K51.3Low64Low140 Ų140108 Ų10861%0.60956%0.555SS**SBendtrans-166.561.1175.6-150.1173.1-160-62.20111.4E169K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.29Å; K165-E169 VanDerWaalsContact CG-OE2 3.23Å; K165-E169 WeakPolarHBondContact CG-OE2 3.35Å; K165-E169 IonicContact NZ-OE1 2.64Å; K165-E169 PolarHBondContact NZ-OE1 3.17Å; K165-E169 IonicContact NZ-OE2 3.96Å; K165-E169 PolarHBondContact NZ-OE2 3.13Å
166G46.6Very low62.5Low64 Ų64113.3 Ų113.366%0.6658%0.577SS**SBendtrans-166.6-9.5-175.700000117
167E48.2Very low61.3Low177 Ų177113.2 Ų113.283%0.82758%0.58SS**SBendtrans-133.8-15.2179.8-66.3174.1174.300112.9
168E48.3Very low60Low148 Ų148119.2 Ų119.269%0.69261%0.605SS**SBendtrans-98.1-25.6-176.4-65.7173.3160.300113.5E170E168-E170 VanDerWaalsContact C-N 3.35Å; E168-E170 PolarHBondContact O-N 2.98Å
169E48.9Very low58.8Low104 Ų104125 Ų12549%0.48663%0.632SS.*THydrogen-bonded Turntrans-81.4-7.1-176.3-68.6-177.5135.800114.3K165K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.29Å; K165-E169 VanDerWaalsContact CG-OE2 3.23Å; K165-E169 WeakPolarHBondContact CG-OE2 3.35Å; K165-E169 IonicContact NZ-OE1 2.64Å; K165-E169 PolarHBondContact NZ-OE1 3.17Å; K165-E169 IonicContact NZ-OE2 3.96Å; K165-E169 PolarHBondContact NZ-OE2 3.13Å
170E49.2Very low57.8Low170 Ų170123.3 Ų123.379%0.79463%0.634SS**THydrogen-bonded Turntrans-95.8-21.7173.9-66.6-17217400112.8E168E168-E170 VanDerWaalsContact C-N 3.35Å; E168-E170 PolarHBondContact O-N 2.98Å
171E50.7Low56.8Low141 Ų141122.2 Ų122.266%0.65962%0.621SS**Hα-helixtrans-84.1-34.7175.9-67.7-165.2153.600112.8E174 I175E171-E174 PolarHBondContact O-N 3.06Å; E171-I175 WeakPolarHBondContact O-CD1 3.44Å; E171-I175 VanDerWaalsContact O-CG1 3.31Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.01Å
172E53.3Low56Low141 Ų141121.6 Ų121.666%0.65962%0.623SS**Hα-helixtrans-66.1-42.4-175.2-158.2162.5-137.600112E174 I175 E176E172-E174 VanDerWaalsContact C-N 3.35Å; E172-E174 PolarHBondContact O-N 3.49Å; E172-I175 PolarHBondContact O-N 2.93Å; E172-E176 PolarHBondContact O-N 2.82Å; E172-E176 VanDerWaalsContact O-N 3.17Å
173D50.1Low55.4Low129 Ų129120.8 Ų120.869%0.6963%0.629SS**Hα-helixtrans-62.3-34.2174.9-89.4-0.4000113.3
174E56.8Low55.5Low154 Ų154123.4 Ų123.472%0.7263%0.625SS**Hα-helixtrans-78.8-26.9179.4-165.1170.5-124.600112.1E171 E172E171-E174 PolarHBondContact O-N 3.06Å; E172-E174 VanDerWaalsContact C-N 3.35Å; E172-E174 PolarHBondContact O-N 3.49Å
175I59Low56.1Low102 Ų102126.9 Ų126.952%0.52362%0.619SS.*Hα-helixtrans-75.2-49.6177.2-67.8165.9000111.5E171 E172 K177 K178 E179E171-I175 WeakPolarHBondContact O-CD1 3.44Å; E171-I175 VanDerWaalsContact O-CG1 3.31Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.01Å; E172-I175 PolarHBondContact O-N 2.93Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 2.74Å; I175-K178 WeakPolarHBondContact O-CB 3.3Å; I175-K178 PolarHBondContact O-N 2.92Å; I175-E179 PolarHBondContact O-N 3.41Å; I175-E179 VanDerWaalsContact O-N 3.16Å
176E58.5Low56.4Low136 Ų136130 Ų13064%0.63663%0.627SS**Hα-helixtrans-57.6-44.1179.9-76.4-153.8148.200111.8E172 K178 E179 L180E172-E176 PolarHBondContact O-N 2.82Å; E172-E176 VanDerWaalsContact O-N 3.17Å; E176-K178 PolarHBondContact O-N 2.7Å; E176-E179 PolarHBondContact O-N 2.85Å; E176-L180 WeakPolarHBondContact O-CG 3.32Å; E176-L180 PolarHBondContact O-N 3.11Å
177K62.6Low57Low137 Ų137130.1 Ų130.160%0.59662%0.621SS**Hα-helixtrans-57-34.9178.1-173.3-178.6176.4-172.90112.6I175 E181I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 2.74Å; K177-E181 PolarHBondContact O-N 3.35Å
178K61.7Low57.4Low145 Ų145128 Ų12863%0.6361%0.609SS**Hα-helixtrans-77.5-40.8-178.2-170.3176.9179.6179.90112.5I175 E176 L180 E181 D182I175-K178 WeakPolarHBondContact O-CB 3.3Å; I175-K178 PolarHBondContact O-N 2.92Å; E176-K178 PolarHBondContact O-N 2.7Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 3.05Å; K178-E181 PolarHBondContact O-N 3.37Å; K178-D182 PolarHBondContact O-N 3.04Å; K178-D182 VanDerWaalsContact O-N 3.15Å
179E61.7Low57.6Low140 Ų140128.8 Ų128.865%0.65461%0.613SS**Hα-helixtrans-65.1-32.8176.4-65.3-152.3142.800112.3I175 E176 S183I175-E179 PolarHBondContact O-N 3.41Å; I175-E179 VanDerWaalsContact O-N 3.16Å; E176-E179 PolarHBondContact O-N 2.85Å; E179-S183 VanDerWaalsContact O-CB 3.25Å; E179-S183 WeakPolarHBondContact O-CB 3.5Å; E179-S183 PolarHBondContact O-N 3.05Å; E179-S183 PolarHBondContact O-OG 2.76Å
180L62.8Low57.7Low121 Ų121126.5 Ų126.563%0.63461%0.608SS**Hα-helixtrans-64.9-46173.9-69.5170000112.3E176 K178 S183 E184E176-L180 WeakPolarHBondContact O-CG 3.32Å; E176-L180 PolarHBondContact O-N 3.11Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 3.05Å; L180-S183 PolarHBondContact O-N 3.43Å; L180-E184 PolarHBondContact O-N 3.26Å; L180-E184 VanDerWaalsContact O-N 3.09Å
181E61.2Low57.9Low96 Ų96124.9 Ų124.945%0.44960%0.603SS.*Hα-helixtrans-64.4-42.3178-78.9-162.5-145.200112.9K177 K178 S183 E184 R185K177-E181 PolarHBondContact O-N 3.35Å; K178-E181 PolarHBondContact O-N 3.37Å; E181-S183 VanDerWaalsContact C-N 3.35Å; E181-E184 PolarHBondContact O-N 3.47Å; E181-R185 VanDerWaalsContact O-CD 3.25Å; E181-R185 WeakPolarHBondContact O-CD 3.48Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 3.41Å; E181-R185 PolarHBondContact O-NE 3.48Å; E181-R185 IonicContact OE2-CZ 3.25Å; E181-R185 IonicContact OE2-NE 2.9Å; E181-R185 IonicContact OE2-NH2 3.83Å; E181-R185 PolarHBondContact OE2-NH2 2.89Å
182D59.6Low58.3Low97 Ų97125.9 Ų125.952%0.51961%0.608SS.*Hα-helixtrans-70.2-31.6177.7-83.8-24.5000112.4K178 R186K178-D182 PolarHBondContact O-N 3.04Å; K178-D182 VanDerWaalsContact O-N 3.15Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 PolarHBondContact O-N 3.16Å
183S58.8Low58.4Low74 Ų74122.6 Ų122.652%0.51761%0.612SS.*Hα-helixtrans-64.7-44.5173.3-64.50000112.3E179 L180 E181 R185 R186 A187E179-S183 VanDerWaalsContact O-CB 3.25Å; E179-S183 WeakPolarHBondContact O-CB 3.5Å; E179-S183 PolarHBondContact O-N 3.05Å; E179-S183 PolarHBondContact O-OG 2.76Å; L180-S183 PolarHBondContact O-N 3.43Å; E181-S183 VanDerWaalsContact C-N 3.35Å; S183-R185 VanDerWaalsContact C-N 3.35Å; S183-R185 PolarHBondContact O-N 2.99Å; S183-R186 PolarHBondContact O-N 3.46Å; S183-A187 PolarHBondContact O-N 2.83Å
184E63.6Low58.7Low115 Ų115123.1 Ų123.154%0.53761%0.613SS.*Hα-helixtrans-67.9-35.3179.5-151.7-143.8168.700112.2L180 E181 K188L180-E184 PolarHBondContact O-N 3.26Å; L180-E184 VanDerWaalsContact O-N 3.09Å; E181-E184 PolarHBondContact O-N 3.47Å; E184-K188 WeakPolarHBondContact O-CD 3.4Å; E184-K188 WeakPolarHBondContact O-CG 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.36Å; E184-K188 IonicContact OE1-NZ 2.66Å; E184-K188 PolarHBondContact OE1-NZ 3.19Å; E184-K188 IonicContact OE2-NZ 2.98Å; E184-K188 PolarHBondContact OE2-NZ 2.98Å
185R64.5Low58.5Low134 Ų134123.4 Ų123.451%0.50662%0.619SS.*Hα-helixtrans-64-44.3172.5-66.9160.7-163.5-116.86.2110.9E181 S183 K188 H189E181-R185 VanDerWaalsContact O-CD 3.25Å; E181-R185 WeakPolarHBondContact O-CD 3.48Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 3.41Å; E181-R185 PolarHBondContact O-NE 3.48Å; E181-R185 IonicContact OE2-CZ 3.25Å; E181-R185 IonicContact OE2-NE 2.9Å; E181-R185 IonicContact OE2-NH2 3.83Å; E181-R185 PolarHBondContact OE2-NH2 2.89Å; S183-R185 VanDerWaalsContact C-N 3.35Å; S183-R185 PolarHBondContact O-N 2.99Å; R185-K188 PolarHBondContact O-N 2.63Å; R185-H189 PolarHBondContact O-CD2 3.34Å; R185-H189 VanDerWaalsContact O-CD2 3.3Å
186R59Low57.9Low206 Ų206121.9 Ų121.978%0.77763%0.628SS**Hα-helixtrans-66.9-37.5-179.6-168173.9-175177.11.1113.1D182 S183 K188 H189D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 PolarHBondContact O-N 3.16Å; S183-R186 PolarHBondContact O-N 3.46Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.17Å; R186-H189 PolarHBondContact O-N 3.44Å
187A58.8Low57.4Low65 Ų65121 Ų12154%0.53763%0.628SS.*Hα-helixtrans-59.8-39.9177.400000112.5S183 H189 S190S183-A187 PolarHBondContact O-N 2.83Å; A187-H189 PolarHBondContact O-N 3.01Å; A187-S190 PolarHBondContact O-N 3.15Å; A187-S190 VanDerWaalsContact O-N 3.16Å
188K57.2Low56.7Low133 Ų133124.4 Ų124.458%0.57864%0.637SS**THydrogen-bonded Turntrans-69.1-0.1-179.5-66.5165.4-172.5171.70114.3E184 R185 R186E184-K188 WeakPolarHBondContact O-CD 3.4Å; E184-K188 WeakPolarHBondContact O-CG 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.36Å; E184-K188 IonicContact OE1-NZ 2.66Å; E184-K188 PolarHBondContact OE1-NZ 3.19Å; E184-K188 IonicContact OE2-NZ 2.98Å; E184-K188 PolarHBondContact OE2-NZ 2.98Å; R185-K188 PolarHBondContact O-N 2.63Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.17Å
189H51.7Low55.4Low165 Ų165122.8 Ų122.876%0.76464%0.644SS**THydrogen-bonded Turntrans-124.68.2177.9-54.9-34.1000113R185 R186 A187R185-H189 PolarHBondContact O-CD2 3.34Å; R185-H189 VanDerWaalsContact O-CD2 3.3Å; R186-H189 PolarHBondContact O-N 3.44Å; A187-H189 PolarHBondContact O-N 3.01Å
190S50.8Low54.2Low55 Ų55121.1 Ų121.139%0.38565%0.648SS.*  trans-84.8143.3177-1690000112.4A187 E192 G193A187-S190 PolarHBondContact O-N 3.15Å; A187-S190 VanDerWaalsContact O-N 3.16Å; S190-E192 VanDerWaalsContact C-N 3.26Å; S190-E192 PolarHBondContact O-N 3.15Å; S190-G193 PolarHBondContact O-N 3.37Å
191I54.6Low53Low136 Ų136123.6 Ų123.670%0.69766%0.656SS**G310 helixtrans-67.1-21.7-173.4-167.1164.4000114.1G193 I194I191-G193 PolarHBondContact O-N 2.82Å; I191-I194 PolarHBondContact O-N 2.83Å
192E58.4Low51.6Low162 Ų162123.4 Ų123.476%0.75767%0.665SS**G310 helixtrans-64-28.8176.5-65.5178.8133.100112.5S190 I194S190-E192 VanDerWaalsContact C-N 3.26Å; S190-E192 PolarHBondContact O-N 3.15Å; E192-I194 PolarHBondContact O-N 2.84Å; E192-I194 VanDerWaalsContact O-N 3.1Å
193G55.4Low50.4Low72 Ų72125.7 Ų125.774%0.74268%0.677SS**G310 helixtrans-68.9-5.3-179.700000115.4S190 I191S190-G193 PolarHBondContact O-N 3.37Å; I191-G193 PolarHBondContact O-N 2.82Å
194I55.3Low49.3Very low141 Ų141130.9 Ų130.972%0.72369%0.693SS**G310 helixtrans-104.1-13.3-172.9-62.5178.4000112.6I191 E192I191-I194 PolarHBondContact O-N 2.83Å; E192-I194 PolarHBondContact O-N 2.84Å; E192-I194 VanDerWaalsContact O-N 3.1Å
195L53.5Low48.1Very low159 Ų159128.5 Ų128.583%0.83270%0.699SS**SBendtrans-124.26.4-175.3-66.9173.4000114.6
196G46.2Very low46.7Very low70 Ų70126.7 Ų126.772%0.72271%0.708SS**  trans-89.8-26.6-16600000118.6
197D47.8Very low45.8Very low118 Ų118124 Ų12463%0.63171%0.709SS**  trans-95.9113.9179.6175.825.2000111.4
198R48Very low44.8Very low209 Ų209126.9 Ų126.979%0.78972%0.719SS**  trans164.454.1136.9-79-102.1172.7-67.8-21114.4
199S34.9Very low43.8Very low110 Ų110128.3 Ų128.377%0.76973%0.728SS**  trans-170.6109152.6-170.10000109
200S37.3Very low43.2Very low106 Ų106124.8 Ų124.874%0.74172%0.722SS**  71.3113.869.7-162.30000114.9
201H35.7Very low42.7Very low173 Ų173129.9 Ų129.980%0.80174%0.74SS**  trans89.1129153.3-135-64000122.1
202S33.6Very low42.1Very low91 Ų91128.8 Ų128.864%0.63674%0.742SS**  trans90.2141.8151.7-99.80000123.5
203D32.6Very low41Very low145 Ų145126.8 Ų126.878%0.77574%0.736SS**  trans57.2122.7166.3-62.319.3000119.4
204E37.2Very low40.2Very low183 Ų183130.6 Ų130.686%0.85574%0.738SS**  88.513262-132.5-6787.100111.7
205G38.5Very low39.5Very low65 Ų65128 Ų12867%0.6773%0.731SS**  trans121.979.5-172.100000113.4
206S34.3Very low38.9Very low97 Ų97127.6 Ų127.668%0.67873%0.729SS**  trans-70.6137.6-174.759.80000115.6
207D40.4Very low38.7Very low149 Ų149133.5 Ų133.580%0.79774%0.735SS**  trans-70.1146.6153.4-178.628.9000111
208V37.2Very low38.5Very low126 Ų126138.5 Ų138.576%0.76475%0.745SS**  trans-151112.4174.3-84.90000111.1
209E37.2Very low38.4Very low163 Ų163138.3 Ų138.376%0.76275%0.749SS**  trans-93.6176.1-180-152.1-11192.100112
210S38.4Very low38.8Very low91 Ų91140.8 Ų140.864%0.63675%0.749SS**  trans64.8104.7169.7-77.10000120.5
211E40.9Very low39.4Very low161 Ų161144.2 Ų144.275%0.75275%0.746SS**  19.6140.2123.4-90.7-83.8129.400120.1D213E211-D213 PolarHBondContact OE2-N 3.22Å
212P41.4Very low40.5Very low114 Ų114147.4 Ų147.474%0.7475%0.751SS**  -143.5143.484.837.9-23.4000117.8L214P212-L214 PolarHBondContact O-N 2.89Å; P212-L214 VanDerWaalsContact O-N 3.15Å
213D35.6Very low41.8Very low120 Ų120147.6 Ų147.664%0.64275%0.752SS**  trans-4.794.8159.1-17621.2000115.2E211 P215E211-D213 PolarHBondContact OE2-N 3.22Å; D213-P215 WeakPolarHBondContact O-CD 3.46Å
214L38.6Very low44.2Very low151 Ų151150.2 Ų150.279%0.79175%0.751SS**  trans-81.8103.8159.1-78.9174.9000108.4P212 L216P212-L214 PolarHBondContact O-N 2.89Å; P212-L214 VanDerWaalsContact O-N 3.15Å; L214-L216 PolarHBondContact O-N 2.76Å
215P40.2Very low46.2Very low88 Ų88143.7 Ų143.757%0.57172%0.724SS**  trans-64.2102.4-176.225.1-35.6000109.7D213 K217D213-P215 WeakPolarHBondContact O-CD 3.46Å; P215-K217 VanDerWaalsContact C-N 3.28Å; P215-K217 PolarHBondContact O-N 2.99Å
216L41.8Very low48.5Very low149 Ų149146.5 Ų146.578%0.7873%0.728SS**  trans-60.989.6179-71.7176.2000109.4L214 R218L214-L216 PolarHBondContact O-N 2.76Å; L216-R218 PolarHBondContact O-N 3.01Å
217K41.5Very low51.3Low195 Ų195144.6 Ų144.685%0.84871%0.708SS**  trans-63.582.7176.2-82179.3176.6169.70109.3P215 K219P215-K217 VanDerWaalsContact C-N 3.28Å; P215-K217 PolarHBondContact O-N 2.99Å; K217-K219 PolarHBondContact O-N 3.06Å
218R42.6Very low53.9Low223 Ų223140.8 Ų140.884%0.84269%0.69SS**  trans-45.398.6171.5-67.7176.1178.586.3-4.1107.7L216 Q220L216-R218 PolarHBondContact O-N 3.01Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.45Å
219K46.1Very low56.5Low204 Ų204138.7 Ų138.789%0.88769%0.685SS**  trans-73.292.6-167.4-162.8162.1-171.2166.50108.2K217 R221K217-K219 PolarHBondContact O-N 3.06Å; K219-R221 PolarHBondContact O-N 2.99Å
220Q42.9Very low59.3Low162 Ų162138 Ų13876%0.75768%0.682SS**  trans-45.2109.1-160.6-177.766.1-1200111.2R218 R222R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.45Å; Q220-R222 PolarHBondContact O-N 3.29Å
221R50Low62Low179 Ų179135 Ų13568%0.67566%0.658SS**  trans-57.5107.9-172171.5171.6154.3-102.8-1108.8K219 S223K219-R221 PolarHBondContact O-N 2.99Å; R221-S223 PolarHBondContact O-N 3.3Å
222R59.2Low64.6Low240 Ų240130.3 Ų130.391%0.90664%0.638SS**  trans-42.7114.5-167.8-168.3-173.6-63.1-140.73.6110.4Q220 R224Q220-R222 PolarHBondContact O-N 3.29Å; R222-R224 PolarHBondContact O-N 3.17Å
223S62.2Low67.2Low95 Ų95129.9 Ų129.966%0.66463%0.626SS**  trans-50.3127.4-163.7-57.70000112R221 T225R221-S223 PolarHBondContact O-N 3.3Å; S223-T225 PolarHBondContact O-N 2.82Å
224R81Confident70.1Confident200 Ų200126.4 Ų126.476%0.75561%0.606SS**  trans-66.6122.9176-179.5-176.1178.31074.6108.1R222 T226R222-R224 PolarHBondContact O-N 3.17Å; R224-T226 PolarHBondContact O-N 3.27Å
225T81.1Confident72.8Confident46 Ų46119.3 Ų119.328%0.28257%0.569SS.*  trans-53.1112.9171.2-45.70000110.1S223 L259 R263S223-T225 PolarHBondContact O-N 2.82Å; T225-L259 HydrophobicContact CG2-CD2 4.14Å; T225-R263 HydrophobicContact CG2-CG 4.48Å; T225-R263 VanDerWaalsContact OG1-CD 3.31Å; T225-R263 WeakPolarHBondContact OG1-CD 3.22Å
226T86.8Confident75.5Confident123 Ų123118 Ų11876%0.75556%0.555SS**PPolyproline II helixtrans-91.2125.2165.1450000107.5R224R224-T226 PolarHBondContact O-N 3.27Å
227F92.4Very high78.1Confident58 Ų58116.5 Ų116.525%0.25454%0.539SS..PPolyproline II helixtrans-84.5141.9176.4-58-101.6000108.8Q231 L232 L235 L259 W267F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-Q231 HydrophobicContact CB-CB 4.32Å; F227-L232 HydrophobicContact CB-CD1 4.28Å; F227-L232 HydrophobicContact CB-CD2 3.8Å; F227-L232 HydrophobicContact CB-CG 3.73Å; F227-L232 HydrophobicContact CG-CD2 4.12Å; F227-L235 HydrophobicContact CD1-CD1 3.91Å; F227-L235 HydrophobicContact CE1-CD1 3.91Å; F227-L259 HydrophobicContact CD1-CD1 3.78Å; F227-L259 HydrophobicContact CE1-CD1 3.65Å; F227-W267 HydrophobicContact CE1-CB 4.21Å; F227-W267 AromaticContact CE1-CD1 3.72Å; F227-W267 HydrophobicContact CE1-CG 4.25Å; F227-W267 AromaticContact CE2-CD1 3.99Å; F227-W267 HydrophobicContact CZ-CB 4.02Å; F227-W267 AromaticContact CZ-CD1 3.67Å; F227-W267 HydrophobicContact CZ-CG 4.22Å
228T94.3Very high80.7Confident68 Ų68107.9 Ų107.942%0.41750%0.504SS..PPolyproline II helixtrans-71.7168.4168.469.20000110.7Q231 L232T228-Q231 PolarHBondContact O-N 2.97Å; T228-Q231 WeakPolarHBondContact OG1-CB 3.23Å; T228-Q231 VanDerWaalsContact OG1-CG 3.25Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.42Å; T228-Q231 PolarHBondContact OG1-N 3.31Å; T228-Q231 VanDerWaalsContact OG1-N 3.11Å; T228-L232 WeakPolarHBondContact O-CG 3.15Å; T228-L232 PolarHBondContact O-N 2.97Å
229A93.4Very high83.3Confident82 Ų8297.4 Ų97.468%0.67847%0.465SS*.Hα-helixtrans-61-48.1175.100000111.6Q231 L232 E233A229-Q231 PolarHBondContact O-N 3.08Å; A229-L232 WeakPolarHBondContact O-CB 3.46Å; A229-L232 PolarHBondContact O-N 2.93Å; A229-E233 PolarHBondContact O-N 3.21Å
230E94.1Very high85.7Confident149 Ų14995 Ų9570%0.69646%0.457SS*.Hα-helixtrans-54-47.5173.4179.8-169.1-163.700112.6L232 E233 E234E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 2.85Å; E230-E233 PolarHBondContact O-N 2.88Å; E230-E234 PolarHBondContact O-N 3.34Å; E230-E234 VanDerWaalsContact O-N 3.11Å
231Q95Very high88.2Confident29 Ų2997.8 Ų97.814%0.13646%0.46CS..Hα-helixtrans-62.5-33.7176-75.8174.1-19.600112.7F227 T228 A229 L235 A257F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-Q231 HydrophobicContact CB-CB 4.32Å; T228-Q231 PolarHBondContact O-N 2.97Å; T228-Q231 WeakPolarHBondContact OG1-CB 3.23Å; T228-Q231 VanDerWaalsContact OG1-CG 3.25Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.42Å; T228-Q231 PolarHBondContact OG1-N 3.31Å; T228-Q231 VanDerWaalsContact OG1-N 3.11Å; A229-Q231 PolarHBondContact O-N 3.08Å; Q231-L235 WeakPolarHBondContact O-CB 3.41Å; Q231-L235 VanDerWaalsContact O-CD1 3.25Å; Q231-L235 WeakPolarHBondContact O-CD1 3.44Å; Q231-L235 WeakPolarHBondContact O-CG 3.4Å; Q231-L235 PolarHBondContact O-N 2.77Å; Q231-A257 HydrophobicContact CG-CB 4.21Å; Q231-A257 WeakPolarHBondContact CG-O 3.45Å; Q231-A257 PolarHBondContact NE2-O 3.49Å
232L96.7Very high90.3Very high61 Ų6191.8 Ų91.832%0.31944%0.444SS..Hα-helixtrans-73.8-39.2175.4-72.6168.7000111.4F227 T228 A229 E230 L235 E236 W267F227-L232 HydrophobicContact CB-CD1 4.28Å; F227-L232 HydrophobicContact CB-CD2 3.8Å; F227-L232 HydrophobicContact CB-CG 3.73Å; F227-L232 HydrophobicContact CG-CD2 4.12Å; T228-L232 WeakPolarHBondContact O-CG 3.15Å; T228-L232 PolarHBondContact O-N 2.97Å; A229-L232 WeakPolarHBondContact O-CB 3.46Å; A229-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 2.85Å; L232-L235 PolarHBondContact O-N 3.08Å; L232-E236 WeakPolarHBondContact O-CB 3.42Å; L232-E236 WeakPolarHBondContact O-CG 3.45Å; L232-E236 PolarHBondContact O-N 2.82Å; L232-W267 VanDerWaalsContact CD2-NE1 3.3Å
233E96.2Very high92Very high106 Ų10683.5 Ų83.550%0.49542%0.415SS..Hα-helixtrans-61.6-49.9179.6-165.4-164.1120.200111.8A229 E230 L235 E236 R237A229-E233 PolarHBondContact O-N 3.21Å; E230-E233 PolarHBondContact O-N 2.88Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.35Å; E233-E236 PolarHBondContact O-N 3.41Å; E233-R237 VanDerWaalsContact O-CB 3.32Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 PolarHBondContact O-N 2.8Å; E233-R237 IonicContact OE1-CZ 2.74Å; E233-R237 IonicContact OE1-NH1 3.91Å; E233-R237 PolarHBondContact OE1-NH1 3.04Å; E233-R237 IonicContact OE1-NH2 3.24Å; E233-R237 PolarHBondContact OE1-NH2 2.77Å
234E95.4Very high93.7Very high47 Ų4786.6 Ų86.622%0.2241%0.413CS..Hα-helixtrans-64.9-36.3178.5-176.367.5171.400111.9E230 R237 A238 L253 R256E230-E234 PolarHBondContact O-N 3.34Å; E230-E234 VanDerWaalsContact O-N 3.11Å; E234-R237 IonicContact OE2-NH1 2.68Å; E234-R237 PolarHBondContact OE2-NH1 3.37Å; E234-A238 VanDerWaalsContact O-CB 3.27Å; E234-A238 WeakPolarHBondContact O-CB 3.25Å; E234-A238 PolarHBondContact O-N 2.87Å; E234-L253 HydrophobicContact CG-CD2 4.15Å; E234-R256 IonicContact OE1-NH1 3.73Å
235L97Very high94.4Very high1 Ų177.5 Ų77.51%0.00538%0.38CS..Hα-helixtrans-69-32.7174.5-71.4172.9000112.8F227 Q231 L232 E233 F239 L253 L259 V264 W267 F268F227-L235 HydrophobicContact CD1-CD1 3.91Å; F227-L235 HydrophobicContact CE1-CD1 3.91Å; Q231-L235 WeakPolarHBondContact O-CB 3.41Å; Q231-L235 VanDerWaalsContact O-CD1 3.25Å; Q231-L235 WeakPolarHBondContact O-CD1 3.44Å; Q231-L235 WeakPolarHBondContact O-CG 3.4Å; Q231-L235 PolarHBondContact O-N 2.77Å; L232-L235 PolarHBondContact O-N 3.08Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.35Å; L235-F239 WeakPolarHBondContact O-CB 3.13Å; L235-F239 PolarHBondContact O-N 3.06Å; L235-L253 HydrophobicContact CD2-CB 4.44Å; L235-L259 HydrophobicContact CD1-CD1 4.29Å; L235-V264 HydrophobicContact CD2-CG1 3.91Å; L235-V264 HydrophobicContact CD2-CG2 4.26Å; L235-W267 HydrophobicContact CB-CD2 3.99Å; L235-W267 HydrophobicContact CB-CE3 3.97Å; L235-W267 HydrophobicContact CB-CH2 3.86Å; L235-W267 HydrophobicContact CB-CZ2 3.84Å; L235-W267 HydrophobicContact CB-CZ3 3.92Å; L235-W267 HydrophobicContact CD1-CB 4.42Å; L235-W267 HydrophobicContact CD1-CD2 3.93Å; L235-W267 HydrophobicContact CD1-CE3 4.47Å; L235-W267 HydrophobicContact CD1-CG 3.84Å; L235-W267 HydrophobicContact CD2-CE3 4.44Å; L235-W267 HydrophobicContact CG-CD2 4.43Å; L235-W267 VanDerWaalsContact O-CH2 3.28Å; L235-W267 WeakPolarHBondContact O-CH2 3.33Å; L235-W267 WeakPolarHBondContact O-CZ3 3.42Å; L235-F268 HydrophobicContact CD2-CE2 3.92Å
236E96.8Very high95.1Very high60 Ų6078.7 Ų78.728%0.2838%0.384SS..Hα-helixtrans-79.4-41.4177.3-69.5-169.5-17500112.1L232 E233 A238 F239 E240 W267 R271L232-E236 WeakPolarHBondContact O-CB 3.42Å; L232-E236 WeakPolarHBondContact O-CG 3.45Å; L232-E236 PolarHBondContact O-N 2.82Å; E233-E236 PolarHBondContact O-N 3.41Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 2.85Å; E236-F239 WeakPolarHBondContact O-CA 3.49Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.39Å; E236-E240 WeakPolarHBondContact O-CG 3.49Å; E236-E240 PolarHBondContact O-N 3.23Å; E236-W267 HydrophobicContact CG-CH2 3.59Å; E236-W267 HydrophobicContact CG-CZ2 3.47Å; E236-W267 VanDerWaalsContact CG-CZ2 3.47Å; E236-R271 IonicContact OE1-CZ 3.33Å; E236-R271 IonicContact OE1-NE 3.94Å; E236-R271 IonicContact OE1-NH1 2.66Å; E236-R271 PolarHBondContact OE1-NH1 3.44Å; E236-R271 IonicContact OE1-NH2 3.92Å; E236-R271 IonicContact OE2-CZ 3.14Å; E236-R271 IonicContact OE2-NH1 2.83Å; E236-R271 PolarHBondContact OE2-NH1 3.11Å; E236-R271 IonicContact OE2-NH2 2.93Å; E236-R271 PolarHBondContact OE2-NH2 3.35Å
237R96.5Very high95.6Very high119 Ų11976 Ų7645%0.44937%0.365SS..Hα-helixtrans-54.5-40.7167.8176.5178.6-70.8114.85.3112.2E233 E234 R241E233-R237 VanDerWaalsContact O-CB 3.32Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 PolarHBondContact O-N 2.8Å; E233-R237 IonicContact OE1-CZ 2.74Å; E233-R237 IonicContact OE1-NH1 3.91Å; E233-R237 PolarHBondContact OE1-NH1 3.04Å; E233-R237 IonicContact OE1-NH2 3.24Å; E233-R237 PolarHBondContact OE1-NH2 2.77Å; E234-R237 IonicContact OE2-NH1 2.68Å; E234-R237 PolarHBondContact OE2-NH1 3.37Å; R237-R241 PolarHBondContact O-N 3.05Å
238A96.1Very high95.8Very high14 Ų1481.2 Ų81.212%0.11638%0.384CS..Hα-helixtrans-72.3-34174.600000113.2E234 E236 E240 R241 T242 L253 F268E234-A238 VanDerWaalsContact O-CB 3.27Å; E234-A238 WeakPolarHBondContact O-CB 3.25Å; E234-A238 PolarHBondContact O-N 2.87Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 2.85Å; A238-E240 VanDerWaalsContact C-N 3.34Å; A238-R241 PolarHBondContact O-N 3Å; A238-T242 PolarHBondContact O-N 3.15Å; A238-L253 HydrophobicContact CB-CD1 3.57Å; A238-L253 HydrophobicContact CB-CD2 3.59Å; A238-L253 HydrophobicContact CB-CG 4.23Å; A238-F268 HydrophobicContact CB-CZ 4.06Å
239F96.9Very high95.9Very high3 Ų380.7 Ų80.71%0.01338%0.38CS..Hα-helixtrans-65.9-35.6176.5-172.9-97.3000112.7L235 E236 T242 H243 W267 F268 R271 R272 W275L235-F239 WeakPolarHBondContact O-CB 3.13Å; L235-F239 PolarHBondContact O-N 3.06Å; E236-F239 WeakPolarHBondContact O-CA 3.49Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.39Å; F239-T242 CarbonylContact O-C 3.58Å; F239-T242 PolarHBondContact O-N 2.91Å; F239-H243 AromaticContact CD1-CD2 3.61Å; F239-H243 AromaticContact CE1-CD2 3.2Å; F239-H243 WeakPolarHBondContact CE1-CD2 3.34Å; F239-H243 AromaticContact CE1-NE2 3.51Å; F239-H243 HydrophobicContact CE2-CB 4.33Å; F239-H243 AromaticContact CE2-CD2 3.78Å; F239-H243 HydrophobicContact CZ-CB 4.43Å; F239-H243 AromaticContact CZ-CD2 3.28Å; F239-H243 WeakPolarHBondContact CZ-CD2 3.35Å; F239-H243 AromaticContact CZ-NE2 3.95Å; F239-H243 PolarHBondContact O-CD2 3.4Å; F239-H243 VanDerWaalsContact O-CD2 3.25Å; F239-H243 PolarHBondContact O-N 3.17Å; F239-W267 HydrophobicContact CB-CH2 4.07Å; F239-W267 HydrophobicContact CB-CZ3 4.07Å; F239-W267 HydrophobicContact CD2-CZ3 4.14Å; F239-W267 HydrophobicContact CG-CH2 4.43Å; F239-W267 HydrophobicContact CG-CZ3 4.38Å; F239-F268 HydrophobicContact CB-CE1 4.02Å; F239-F268 HydrophobicContact CB-CZ 4.4Å; F239-F268 AromaticContact CD2-CD1 3.72Å; F239-F268 HydrophobicContact CD2-CD1 3.72Å; F239-F268 AromaticContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CE2-CD1 4.41Å; F239-F268 HydrophobicContact CG-CE1 4.37Å; F239-R271 HydrophobicContact CD1-CG 3.79Å; F239-R271 HydrophobicContact CD2-CB 4.03Å; F239-R271 HydrophobicContact CD2-CG 3.5Å; F239-R271 VanDerWaalsContact CD2-CG 3.5Å; F239-R271 HydrophobicContact CE1-CG 3.68Å; F239-R271 HydrophobicContact CE2-CB 3.8Å; F239-R271 HydrophobicContact CE2-CG 3.4Å; F239-R271 VanDerWaalsContact CE2-CG 3.4Å; F239-R271 HydrophobicContact CG-CG 3.7Å; F239-R271 HydrophobicContact CZ-CB 4.24Å; F239-R271 HydrophobicContact CZ-CG 3.51Å; F239-R272 HydrophobicContact CE2-CG 3.82Å; F239-R272 HydrophobicContact CZ-CG 4.29Å; F239-W275 HydrophobicContact CE1-CD2 4.48Å; F239-W275 HydrophobicContact CE1-CE3 4.43Å; F239-W275 HydrophobicContact CZ-CB 4.19Å; F239-W275 HydrophobicContact CZ-CG 4.43Å
240E96.1Very high96.1Very high153 Ų15378.8 Ų78.872%0.71536%0.356SS*.Hα-helixtrans-64.8-38.2173.6-70.7168.8177.300112.1E236 A238E236-E240 WeakPolarHBondContact O-CG 3.49Å; E236-E240 PolarHBondContact O-N 3.23Å; A238-E240 VanDerWaalsContact C-N 3.34Å
241R95.2Very high96.3Very high221 Ų22175.7 Ų75.783%0.83434%0.341SS*.Hα-helixtrans-69.6-40.6173.6-68.8-176.564.382-0.4112.7R237 A238R237-R241 PolarHBondContact O-N 3.05Å; A238-R241 PolarHBondContact O-N 3Å
242T94.4Very high96.3Very high53 Ų5378.1 Ų78.133%0.32535%0.353SS..  trans-155.1128.7171.9176.50000112.8A238 F239 Y244 P245 F268A238-T242 PolarHBondContact O-N 3.15Å; F239-T242 CarbonylContact O-C 3.58Å; F239-T242 PolarHBondContact O-N 2.91Å; T242-Y244 PolarHBondContact O-N 2.9Å; T242-Y244 VanDerWaalsContact OG1-C 3.26Å; T242-Y244 PolarHBondContact OG1-N 2.89Å; T242-Y244 PolarHBondContact OG1-O 3.35Å; T242-P245 HydrophobicContact CG2-CB 4.03Å; T242-F268 WeakPolarHBondContact O-CE1 3.22Å
243H95.4Very high96.3Very high65 Ų6575.7 Ų75.730%0.30134%0.34SS..SBendtrans-66.7-19.3170-61.5143.6000113.1F239 R272 W275F239-H243 AromaticContact CD1-CD2 3.61Å; F239-H243 AromaticContact CE1-CD2 3.2Å; F239-H243 WeakPolarHBondContact CE1-CD2 3.34Å; F239-H243 AromaticContact CE1-NE2 3.51Å; F239-H243 HydrophobicContact CE2-CB 4.33Å; F239-H243 AromaticContact CE2-CD2 3.78Å; F239-H243 HydrophobicContact CZ-CB 4.43Å; F239-H243 AromaticContact CZ-CD2 3.28Å; F239-H243 WeakPolarHBondContact CZ-CD2 3.35Å; F239-H243 AromaticContact CZ-NE2 3.95Å; F239-H243 PolarHBondContact O-CD2 3.4Å; F239-H243 VanDerWaalsContact O-CD2 3.25Å; F239-H243 PolarHBondContact O-N 3.17Å; H243-R272 HydrophobicContact CB-CG 4.49Å; H243-R272 WeakPolarHBondContact O-CD 3.2Å; H243-R272 WeakPolarHBondContact O-CG 3.28Å; H243-R272 PolarHBondContact O-NH1 3.15Å; H243-W275 AromaticContact CE1-CE2 3.99Å; H243-W275 AromaticContact CE1-NE1 3.92Å
244Y96.4Very high96.3Very high161 Ų16171 Ų7163%0.63132%0.319SS*.SBendtrans-132.573.8-176.2-65.5-90.2000111T242 R272T242-Y244 PolarHBondContact O-N 2.9Å; T242-Y244 VanDerWaalsContact OG1-C 3.26Å; T242-Y244 PolarHBondContact OG1-N 2.89Å; T242-Y244 PolarHBondContact OG1-O 3.35Å; Y244-R272 VanDerWaalsContact CE1-NE 3.29Å
245P96.1Very high96.4Very high8 Ų875 Ų755%0.05234%0.338CS..  trans-65.6141.5172.129.3-36.7000111.2T242 T249 R250 F268T242-P245 HydrophobicContact CG2-CB 4.03Å; P245-T249 HydrophobicContact CB-CG2 3.62Å; P245-R250 HydrophobicContact CB-CG 3.86Å; P245-R250 HydrophobicContact CG-CG 3.65Å; P245-R250 PolarHBondContact O-NH1 3.41Å; P245-F268 VanDerWaalsContact CD-CE1 3.46Å; P245-F268 HydrophobicContact CG-CD1 3.55Å; P245-F268 HydrophobicContact CG-CD2 4.08Å; P245-F268 HydrophobicContact CG-CE1 3.5Å; P245-F268 VanDerWaalsContact CG-CE1 3.5Å; P245-F268 HydrophobicContact CG-CE2 4.05Å; P245-F268 HydrophobicContact CG-CG 3.86Å; P245-F268 HydrophobicContact CG-CZ 3.78Å
246D97Very high96.3Very high71 Ų7182.1 Ų82.138%0.3837%0.365SS..  trans-73.3-171176.982.7-51.5000111.7Y248 T249 R250D246-Y248 WeakPolarHBondContact OD2-CD2 3.26Å; D246-Y248 PolarHBondContact OD2-N 3.21Å; D246-T249 WeakPolarHBondContact OD1-CB 3.2Å; D246-T249 PolarHBondContact OD1-N 2.73Å; D246-T249 PolarHBondContact OD1-OG1 2.73Å; D246-R250 VanDerWaalsContact O-CG 3.23Å; D246-R250 WeakPolarHBondContact O-CG 3.1Å; D246-R250 VanDerWaalsContact O-CZ 3.3Å; D246-R250 PolarHBondContact O-N 2.72Å; D246-R250 PolarHBondContact O-NH1 3.33Å
247I96.6Very high96.1Very high66 Ų6679.7 Ų79.734%0.33836%0.355SS..Hα-helixtrans-65.4-49.8-179.7-175.561000111.5T249 R250 E251 E261I247-T249 PolarHBondContact O-N 3.28Å; I247-R250 PolarHBondContact O-N 2.9Å; I247-E251 HydrophobicContact CD1-CG 4.22Å; I247-E251 HydrophobicContact CG1-CG 4.42Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 3.25Å; I247-E261 HydrophobicContact CD1-CG 4Å
248Y97.1Very high96.1Very high169 Ų16982.8 Ų82.866%0.66337%0.371SS*.Hα-helixtrans-65.7-40.9-174.3-54.4-61.8000111.6D246 R250 E251 E252D246-Y248 WeakPolarHBondContact OD2-CD2 3.26Å; D246-Y248 PolarHBondContact OD2-N 3.21Å; Y248-R250 VanDerWaalsContact C-N 3.29Å; Y248-R250 PolarHBondContact O-N 3.35Å; Y248-E251 PolarHBondContact O-N 3.15Å; Y248-E252 PolarHBondContact O-N 3.05Å
249T96.1Very high96Very high56 Ų5683.6 Ų83.634%0.34437%0.374SS..Hα-helixtrans-62.2-35.6174.3-55.20000111.8P245 D246 I247 L253P245-T249 HydrophobicContact CB-CG2 3.62Å; D246-T249 WeakPolarHBondContact OD1-CB 3.2Å; D246-T249 PolarHBondContact OD1-N 2.73Å; D246-T249 PolarHBondContact OD1-OG1 2.73Å; I247-T249 PolarHBondContact O-N 3.28Å; T249-L253 HydrophobicContact CG2-CD1 4.06Å; T249-L253 WeakPolarHBondContact O-CB 3.29Å; T249-L253 WeakPolarHBondContact O-CD1 3.49Å; T249-L253 WeakPolarHBondContact O-CG 3.44Å; T249-L253 PolarHBondContact O-N 3.38Å; T249-L253 VanDerWaalsContact O-N 3.09Å
250R97Very high96Very high43 Ų4387.6 Ų87.616%0.16240%0.398CS..Hα-helixtrans-75.7-27.9177.4-67.2-174.8-37.8-91-6.5112.8P245 D246 I247 Y248 A254 E261 V264P245-R250 HydrophobicContact CB-CG 3.86Å; P245-R250 HydrophobicContact CG-CG 3.65Å; P245-R250 PolarHBondContact O-NH1 3.41Å; D246-R250 VanDerWaalsContact O-CG 3.23Å; D246-R250 WeakPolarHBondContact O-CG 3.1Å; D246-R250 VanDerWaalsContact O-CZ 3.3Å; D246-R250 PolarHBondContact O-N 2.72Å; D246-R250 PolarHBondContact O-NH1 3.33Å; I247-R250 PolarHBondContact O-N 2.9Å; Y248-R250 VanDerWaalsContact C-N 3.29Å; Y248-R250 PolarHBondContact O-N 3.35Å; R250-A254 VanDerWaalsContact O-CB 3.22Å; R250-A254 WeakPolarHBondContact O-CB 3.33Å; R250-A254 PolarHBondContact O-N 3.47Å; R250-E261 HydrophobicContact CB-CG 4.05Å; R250-E261 IonicContact CZ-OE1 2.85Å; R250-E261 IonicContact NE-OE1 3.21Å; R250-E261 PolarHBondContact NE-OE1 3.09Å; R250-E261 IonicContact NH2-OE1 3.47Å; R250-E261 PolarHBondContact NH2-OE1 2.91Å; R250-V264 HydrophobicContact CB-CG1 4.07Å; R250-V264 HydrophobicContact CG-CG1 4.07Å
251E97.5Very high96Very high84 Ų8482.2 Ų82.239%0.39337%0.373SS..Hα-helixtrans-74.6-41.2173.7-71173.7161.200111.8I247 Y248 A254 Q255 E261I247-E251 HydrophobicContact CD1-CG 4.22Å; I247-E251 HydrophobicContact CG1-CG 4.42Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 3.25Å; Y248-E251 PolarHBondContact O-N 3.15Å; E251-A254 WeakPolarHBondContact O-CB 3.47Å; E251-A254 PolarHBondContact O-N 2.97Å; E251-Q255 WeakPolarHBondContact O-CG 3.23Å; E251-Q255 PolarHBondContact O-N 2.85Å; E251-Q255 PolarHBondContact O-NE2 3.41Å; E251-E261 HydrophobicContact CG-CB 4.33Å; E251-E261 HydrophobicContact CG-CG 4.03Å
252E96.4Very high96Very high80 Ų8073.7 Ų73.737%0.37435%0.35SS..Hα-helixtrans-55.5-51.3168.2-88.5-65.6106.900112Y248 A254 Q255 R256Y248-E252 PolarHBondContact O-N 3.05Å; E252-A254 VanDerWaalsContact C-N 3.28Å; E252-A254 PolarHBondContact O-N 3.29Å; E252-Q255 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact OE1-NE2 3.01Å; E252-R256 WeakPolarHBondContact O-CG 3.38Å; E252-R256 PolarHBondContact O-N 2.68Å; E252-R256 IonicContact OE2-CZ 2.72Å; E252-R256 IonicContact OE2-NE 3.81Å; E252-R256 PolarHBondContact OE2-NE 2.91Å; E252-R256 VanDerWaalsContact OE2-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.16Å; E252-R256 PolarHBondContact OE2-NH2 3.09Å
253L96.3Very high96Very high9 Ų975.9 Ų75.95%0.04735%0.352CS..Hα-helixtrans-65.6-31.6178.1-68.5167.4000112.5E234 L235 A238 T249 A257 V264 F268E234-L253 HydrophobicContact CG-CD2 4.15Å; L235-L253 HydrophobicContact CD2-CB 4.44Å; A238-L253 HydrophobicContact CB-CD1 3.57Å; A238-L253 HydrophobicContact CB-CD2 3.59Å; A238-L253 HydrophobicContact CB-CG 4.23Å; T249-L253 HydrophobicContact CG2-CD1 4.06Å; T249-L253 WeakPolarHBondContact O-CB 3.29Å; T249-L253 WeakPolarHBondContact O-CD1 3.49Å; T249-L253 WeakPolarHBondContact O-CG 3.44Å; T249-L253 PolarHBondContact O-N 3.38Å; T249-L253 VanDerWaalsContact O-N 3.09Å; L253-A257 WeakPolarHBondContact O-CB 3.18Å; L253-A257 PolarHBondContact O-N 3.37Å; L253-V264 HydrophobicContact CB-CG1 4.13Å; L253-V264 HydrophobicContact CD1-CG1 4.45Å; L253-F268 HydrophobicContact CD1-CE2 3.91Å; L253-F268 HydrophobicContact CD1-CZ 4.04Å
254A96.9Very high96.1Very high7 Ų772.8 Ų72.86%0.05834%0.338CS..Hα-helixtrans-66-45175.100000111.4R250 E251 E252 K258 L259 V264R250-A254 VanDerWaalsContact O-CB 3.22Å; R250-A254 WeakPolarHBondContact O-CB 3.33Å; R250-A254 PolarHBondContact O-N 3.47Å; E251-A254 WeakPolarHBondContact O-CB 3.47Å; E251-A254 PolarHBondContact O-N 2.97Å; E252-A254 VanDerWaalsContact C-N 3.28Å; E252-A254 PolarHBondContact O-N 3.29Å; A254-K258 PolarHBondContact O-N 2.93Å; A254-L259 CarbonylContact C-O 3.18Å; A254-L259 WeakPolarHBondContact CB-O 3.36Å; A254-L259 PolarHBondContact O-N 2.83Å; A254-L259 VanDerWaalsContact O-O 3.06Å; A254-V264 HydrophobicContact CB-CG2 3.93Å
255Q96.6Very high96.1Very high133 Ų13369.6 Ų69.662%0.62133%0.329SS*.Hα-helixtrans-60.4-54174.8-69.5172.58800111.4E251 E252 A257 K258E251-Q255 WeakPolarHBondContact O-CG 3.23Å; E251-Q255 PolarHBondContact O-N 2.85Å; E251-Q255 PolarHBondContact O-NE2 3.41Å; E252-Q255 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact OE1-NE2 3.01Å; Q255-A257 PolarHBondContact O-N 2.84Å; Q255-K258 PolarHBondContact O-N 3.18Å
256R94.7Very high96.1Very high150 Ų15072.2 Ų72.257%0.56634%0.344SS*.Hα-helixtrans-59-48.3-178.3-66.4170.4-166.9-147.40.2112.4E234 E252 K258E234-R256 IonicContact OE1-NH1 3.73Å; E252-R256 WeakPolarHBondContact O-CG 3.38Å; E252-R256 PolarHBondContact O-N 2.68Å; E252-R256 IonicContact OE2-CZ 2.72Å; E252-R256 IonicContact OE2-NE 3.81Å; E252-R256 PolarHBondContact OE2-NE 2.91Å; E252-R256 VanDerWaalsContact OE2-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.16Å; E252-R256 PolarHBondContact OE2-NH2 3.09Å; R256-K258 PolarHBondContact O-N 3Å
257A93.6Very high96.1Very high8 Ų869.8 Ų69.87%0.06633%0.33CS..Hα-helixtrans-75.3-5.7178.700000113.6Q231 L253 Q255 L259Q231-A257 HydrophobicContact CG-CB 4.21Å; Q231-A257 WeakPolarHBondContact CG-O 3.45Å; Q231-A257 PolarHBondContact NE2-O 3.49Å; L253-A257 WeakPolarHBondContact O-CB 3.18Å; L253-A257 PolarHBondContact O-N 3.37Å; Q255-A257 PolarHBondContact O-N 2.84Å; A257-L259 HydrophobicContact CB-CB 4.48Å; A257-L259 HydrophobicContact CB-CD1 3.77Å; A257-L259 HydrophobicContact CB-CG 3.98Å
258K95.4Very high96.1Very high184 Ų18466.7 Ų66.780%0.831%0.314SS*.THydrogen-bonded Turntrans56.448.8-174.1-57.6169.5-174165.50111.9A254 Q255 R256A254-K258 PolarHBondContact O-N 2.93Å; Q255-K258 PolarHBondContact O-N 3.18Å; R256-K258 PolarHBondContact O-N 3Å
259L94.6Very high96.1Very high32 Ų3261.7 Ų61.717%0.16830%0.303CS..SBendtrans-126.7173.6-179.5-65175.6000110.2T225 F227 L235 A254 A257 R263T225-L259 HydrophobicContact CG2-CD2 4.14Å; F227-L259 HydrophobicContact CD1-CD1 3.78Å; F227-L259 HydrophobicContact CE1-CD1 3.65Å; L235-L259 HydrophobicContact CD1-CD1 4.29Å; A254-L259 CarbonylContact C-O 3.18Å; A254-L259 WeakPolarHBondContact CB-O 3.36Å; A254-L259 PolarHBondContact O-N 2.83Å; A254-L259 VanDerWaalsContact O-O 3.06Å; A257-L259 HydrophobicContact CB-CB 4.48Å; A257-L259 HydrophobicContact CB-CD1 3.77Å; A257-L259 HydrophobicContact CB-CG 3.98Å; L259-R263 HydrophobicContact CB-CB 4.25Å
260T95.8Very high96.1Very high86 Ų8663 Ų6353%0.52831%0.309SS..  trans-90.2152.5165.669.20000110.8A262 R263 V264T260-A262 PolarHBondContact O-N 3.02Å; T260-A262 VanDerWaalsContact O-N 3.17Å; T260-R263 WeakPolarHBondContact O-CA 3.33Å; T260-R263 WeakPolarHBondContact O-CB 3.28Å; T260-R263 PolarHBondContact O-N 2.66Å; T260-V264 PolarHBondContact O-N 3.25Å
261E96.1Very high96.1Very high41 Ų4164.1 Ų64.119%0.19231%0.313CS..Hα-helixtrans-47.9-44.7173.5-173.6-75.3160.900110.8I247 R250 E251 R263 V264 Q265I247-E261 HydrophobicContact CD1-CG 4Å; R250-E261 HydrophobicContact CB-CG 4.05Å; R250-E261 IonicContact CZ-OE1 2.85Å; R250-E261 IonicContact NE-OE1 3.21Å; R250-E261 PolarHBondContact NE-OE1 3.09Å; R250-E261 IonicContact NH2-OE1 3.47Å; R250-E261 PolarHBondContact NH2-OE1 2.91Å; E251-E261 HydrophobicContact CG-CB 4.33Å; E251-E261 HydrophobicContact CG-CG 4.03Å; E261-R263 PolarHBondContact O-N 2.98Å; E261-R263 VanDerWaalsContact O-N 3.08Å; E261-V264 CarbonylContact O-C 3.57Å; E261-V264 WeakPolarHBondContact O-CA 3.27Å; E261-V264 WeakPolarHBondContact O-CB 3.32Å; E261-V264 PolarHBondContact O-N 3.08Å; E261-Q265 WeakPolarHBondContact O-CB 3.45Å; E261-Q265 PolarHBondContact O-N 3.23Å
262A95.3Very high96Very high41 Ų4162.5 Ų62.534%0.33930%0.303SS..Hα-helixtrans-69.3-5.1179.200000114.7T260 V266T260-A262 PolarHBondContact O-N 3.02Å; T260-A262 VanDerWaalsContact O-N 3.17Å; A262-V266 VanDerWaalsContact O-CG2 3.23Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å
263R95.6Very high95.8Very high100 Ų10060.4 Ų60.438%0.37730%0.299SS..Hα-helixtrans-88.5-44.3162.1-61.9-59.577.9150.75110.7T225 L259 T260 E261 V266 W267T225-R263 HydrophobicContact CG2-CG 4.48Å; T225-R263 VanDerWaalsContact OG1-CD 3.31Å; T225-R263 WeakPolarHBondContact OG1-CD 3.22Å; L259-R263 HydrophobicContact CB-CB 4.25Å; T260-R263 WeakPolarHBondContact O-CA 3.33Å; T260-R263 WeakPolarHBondContact O-CB 3.28Å; T260-R263 PolarHBondContact O-N 2.66Å; E261-R263 PolarHBondContact O-N 2.98Å; E261-R263 VanDerWaalsContact O-N 3.08Å; R263-V266 PolarHBondContact O-N 2.58Å; R263-W267 WeakPolarHBondContact O-CB 3.43Å; R263-W267 PolarHBondContact O-N 2.9Å
264V96.5Very high95.6Very high0 Ų068 Ų680%033%0.327CS..Hα-helixtrans-59.6-50.9176.4-179.20000110.6L235 R250 L253 A254 T260 E261 V266 W267 F268L235-V264 HydrophobicContact CD2-CG1 3.91Å; L235-V264 HydrophobicContact CD2-CG2 4.26Å; R250-V264 HydrophobicContact CB-CG1 4.07Å; R250-V264 HydrophobicContact CG-CG1 4.07Å; L253-V264 HydrophobicContact CB-CG1 4.13Å; L253-V264 HydrophobicContact CD1-CG1 4.45Å; A254-V264 HydrophobicContact CB-CG2 3.93Å; T260-V264 PolarHBondContact O-N 3.25Å; E261-V264 CarbonylContact O-C 3.57Å; E261-V264 WeakPolarHBondContact O-CA 3.27Å; E261-V264 WeakPolarHBondContact O-CB 3.32Å; E261-V264 PolarHBondContact O-N 3.08Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 2.94Å; V264-W267 WeakPolarHBondContact O-CB 3.44Å; V264-W267 PolarHBondContact O-N 3.32Å; V264-W267 VanDerWaalsContact O-N 3.08Å; V264-F268 HydrophobicContact CG1-CD2 3.69Å; V264-F268 HydrophobicContact CG1-CE2 3.8Å; V264-F268 WeakPolarHBondContact O-CD2 3.36Å; V264-F268 PolarHBondContact O-N 3.18Å
265Q96.8Very high95.3Very high94 Ų9473.6 Ų73.644%0.43935%0.347SS..Hα-helixtrans-54.4-45.4176.1-167.4-157.356.100112.4E261 S269E261-Q265 WeakPolarHBondContact O-CB 3.45Å; E261-Q265 PolarHBondContact O-N 3.23Å; Q265-S269 WeakPolarHBondContact O-CB 3.48Å; Q265-S269 PolarHBondContact O-N 2.9Å
266V96.4Very high95Very high62 Ų6274.3 Ų74.338%0.37634%0.344SS..Hα-helixtrans-68.7-38.4177.2169.20000111.3A262 R263 V264 N270A262-V266 VanDerWaalsContact O-CG2 3.23Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å; R263-V266 PolarHBondContact O-N 2.58Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 2.94Å; V266-N270 WeakPolarHBondContact O-CB 3.42Å; V266-N270 PolarHBondContact O-N 2.86Å; V266-N270 PolarHBondContact O-ND2 3.29Å
267W96.7Very high94.5Very high21 Ų2174.9 Ų74.98%0.0835%0.351CS..Hα-helixtrans-62.5-51.5175.1-176.3102.9000110.8F227 L232 L235 E236 F239 R263 V264 S269 N270 R271F227-W267 HydrophobicContact CE1-CB 4.21Å; F227-W267 AromaticContact CE1-CD1 3.72Å; F227-W267 HydrophobicContact CE1-CG 4.25Å; F227-W267 AromaticContact CE2-CD1 3.99Å; F227-W267 HydrophobicContact CZ-CB 4.02Å; F227-W267 AromaticContact CZ-CD1 3.67Å; F227-W267 HydrophobicContact CZ-CG 4.22Å; L232-W267 VanDerWaalsContact CD2-NE1 3.3Å; L235-W267 HydrophobicContact CB-CD2 3.99Å; L235-W267 HydrophobicContact CB-CE3 3.97Å; L235-W267 HydrophobicContact CB-CH2 3.86Å; L235-W267 HydrophobicContact CB-CZ2 3.84Å; L235-W267 HydrophobicContact CB-CZ3 3.92Å; L235-W267 HydrophobicContact CD1-CB 4.42Å; L235-W267 HydrophobicContact CD1-CD2 3.93Å; L235-W267 HydrophobicContact CD1-CE3 4.47Å; L235-W267 HydrophobicContact CD1-CG 3.84Å; L235-W267 HydrophobicContact CD2-CE3 4.44Å; L235-W267 HydrophobicContact CG-CD2 4.43Å; L235-W267 VanDerWaalsContact O-CH2 3.28Å; L235-W267 WeakPolarHBondContact O-CH2 3.33Å; L235-W267 WeakPolarHBondContact O-CZ3 3.42Å; E236-W267 HydrophobicContact CG-CH2 3.59Å; E236-W267 HydrophobicContact CG-CZ2 3.47Å; E236-W267 VanDerWaalsContact CG-CZ2 3.47Å; F239-W267 HydrophobicContact CB-CH2 4.07Å; F239-W267 HydrophobicContact CB-CZ3 4.07Å; F239-W267 HydrophobicContact CD2-CZ3 4.14Å; F239-W267 HydrophobicContact CG-CH2 4.43Å; F239-W267 HydrophobicContact CG-CZ3 4.38Å; R263-W267 WeakPolarHBondContact O-CB 3.43Å; R263-W267 PolarHBondContact O-N 2.9Å; V264-W267 WeakPolarHBondContact O-CB 3.44Å; V264-W267 PolarHBondContact O-N 3.32Å; V264-W267 VanDerWaalsContact O-N 3.08Å; W267-S269 VanDerWaalsContact C-N 3.33Å; W267-S269 PolarHBondContact O-N 3.01Å; W267-N270 CarbonylContact O-C 3.49Å; W267-N270 WeakPolarHBondContact O-CA 3.38Å; W267-N270 WeakPolarHBondContact O-CB 3.22Å; W267-N270 PolarHBondContact O-N 3.01Å; W267-R271 HydrophobicContact CE3-CB 4.16Å; W267-R271 HydrophobicContact CH2-CB 3.88Å; W267-R271 HydrophobicContact CH2-CG 3.62Å; W267-R271 HydrophobicContact CZ2-CB 4.28Å; W267-R271 HydrophobicContact CZ2-CG 4.18Å; W267-R271 HydrophobicContact CZ3-CB 3.83Å; W267-R271 HydrophobicContact CZ3-CG 3.95Å; W267-R271 PolarHBondContact O-N 3.31Å
268F97.7Very high93.7Very high1 Ų179.9 Ų79.90%0.00437%0.373CS..Hα-helixtrans-60.2-40.7178.8-92-91.9000112.2L235 A238 F239 T242 P245 L253 V264 N270 R271 R272L235-F268 HydrophobicContact CD2-CE2 3.92Å; A238-F268 HydrophobicContact CB-CZ 4.06Å; F239-F268 HydrophobicContact CB-CE1 4.02Å; F239-F268 HydrophobicContact CB-CZ 4.4Å; F239-F268 AromaticContact CD2-CD1 3.72Å; F239-F268 HydrophobicContact CD2-CD1 3.72Å; F239-F268 AromaticContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CE2-CD1 4.41Å; F239-F268 HydrophobicContact CG-CE1 4.37Å; T242-F268 WeakPolarHBondContact O-CE1 3.22Å; P245-F268 VanDerWaalsContact CD-CE1 3.46Å; P245-F268 HydrophobicContact CG-CD1 3.55Å; P245-F268 HydrophobicContact CG-CD2 4.08Å; P245-F268 HydrophobicContact CG-CE1 3.5Å; P245-F268 VanDerWaalsContact CG-CE1 3.5Å; P245-F268 HydrophobicContact CG-CE2 4.05Å; P245-F268 HydrophobicContact CG-CG 3.86Å; P245-F268 HydrophobicContact CG-CZ 3.78Å; L253-F268 HydrophobicContact CD1-CE2 3.91Å; L253-F268 HydrophobicContact CD1-CZ 4.04Å; V264-F268 HydrophobicContact CG1-CD2 3.69Å; V264-F268 HydrophobicContact CG1-CE2 3.8Å; V264-F268 WeakPolarHBondContact O-CD2 3.36Å; V264-F268 PolarHBondContact O-N 3.18Å; F268-N270 PolarHBondContact O-N 3.32Å; F268-R271 PolarHBondContact O-N 3.48Å; F268-R272 WeakPolarHBondContact O-CB 3.09Å; F268-R272 WeakPolarHBondContact O-CG 3.48Å; F268-R272 PolarHBondContact O-N 2.73Å
269S96.7Very high92.5Very high63 Ų6373.1 Ų73.144%0.44135%0.351SS..Hα-helixtrans-60-44.1173.5-172.70000112.1Q265 W267 A273Q265-S269 WeakPolarHBondContact O-CB 3.48Å; Q265-S269 PolarHBondContact O-N 2.9Å; W267-S269 VanDerWaalsContact C-N 3.33Å; W267-S269 PolarHBondContact O-N 3.01Å; S269-A273 WeakPolarHBondContact O-CB 3.38Å; S269-A273 PolarHBondContact O-N 3.21Å; S269-A273 VanDerWaalsContact O-N 3.08Å
270N96.1Very high91Very high84 Ų8472.9 Ų72.945%0.44936%0.357SS..Hα-helixtrans-68.7-39.3175.9-79.6-73.7000113V266 W267 F268 A273 R274V266-N270 WeakPolarHBondContact O-CB 3.42Å; V266-N270 PolarHBondContact O-N 2.86Å; V266-N270 PolarHBondContact O-ND2 3.29Å; W267-N270 CarbonylContact O-C 3.49Å; W267-N270 WeakPolarHBondContact O-CA 3.38Å; W267-N270 WeakPolarHBondContact O-CB 3.22Å; W267-N270 PolarHBondContact O-N 3.01Å; F268-N270 PolarHBondContact O-N 3.32Å; N270-A273 PolarHBondContact O-N 3.18Å; N270-R274 PolarHBondContact O-N 3.25Å; N270-R274 VanDerWaalsContact O-N 3.09Å
271R95.8Very high89.4Confident67 Ų6771 Ų7125%0.25335%0.35SS..Hα-helixtrans-64.8-48.6177.2-17475.2179.4-173.1-5.4110.5E236 F239 W267 F268 A273 R274 W275E236-R271 IonicContact OE1-CZ 3.33Å; E236-R271 IonicContact OE1-NE 3.94Å; E236-R271 IonicContact OE1-NH1 2.66Å; E236-R271 PolarHBondContact OE1-NH1 3.44Å; E236-R271 IonicContact OE1-NH2 3.92Å; E236-R271 IonicContact OE2-CZ 3.14Å; E236-R271 IonicContact OE2-NH1 2.83Å; E236-R271 PolarHBondContact OE2-NH1 3.11Å; E236-R271 IonicContact OE2-NH2 2.93Å; E236-R271 PolarHBondContact OE2-NH2 3.35Å; F239-R271 HydrophobicContact CD1-CG 3.79Å; F239-R271 HydrophobicContact CD2-CB 4.03Å; F239-R271 HydrophobicContact CD2-CG 3.5Å; F239-R271 VanDerWaalsContact CD2-CG 3.5Å; F239-R271 HydrophobicContact CE1-CG 3.68Å; F239-R271 HydrophobicContact CE2-CB 3.8Å; F239-R271 HydrophobicContact CE2-CG 3.4Å; F239-R271 VanDerWaalsContact CE2-CG 3.4Å; F239-R271 HydrophobicContact CG-CG 3.7Å; F239-R271 HydrophobicContact CZ-CB 4.24Å; F239-R271 HydrophobicContact CZ-CG 3.51Å; W267-R271 HydrophobicContact CE3-CB 4.16Å; W267-R271 HydrophobicContact CH2-CB 3.88Å; W267-R271 HydrophobicContact CH2-CG 3.62Å; W267-R271 HydrophobicContact CZ2-CB 4.28Å; W267-R271 HydrophobicContact CZ2-CG 4.18Å; W267-R271 HydrophobicContact CZ3-CB 3.83Å; W267-R271 HydrophobicContact CZ3-CG 3.95Å; W267-R271 PolarHBondContact O-N 3.31Å; F268-R271 PolarHBondContact O-N 3.48Å; R271-A273 PolarHBondContact O-N 2.88Å; R271-R274 PolarHBondContact O-N 3.45Å; R271-W275 PolarHBondContact O-N 2.99Å
272R95.4Very high87.5Confident49 Ų4974.2 Ų74.219%0.18537%0.368CS..Hα-helixtrans-55.5-36.1170.9-74.3-164-66.8-87.45113.1F239 H243 Y244 F268 R276F239-R272 HydrophobicContact CE2-CG 3.82Å; F239-R272 HydrophobicContact CZ-CG 4.29Å; H243-R272 HydrophobicContact CB-CG 4.49Å; H243-R272 WeakPolarHBondContact O-CD 3.2Å; H243-R272 WeakPolarHBondContact O-CG 3.28Å; H243-R272 PolarHBondContact O-NH1 3.15Å; Y244-R272 VanDerWaalsContact CE1-NE 3.29Å; F268-R272 WeakPolarHBondContact O-CB 3.09Å; F268-R272 WeakPolarHBondContact O-CG 3.48Å; F268-R272 PolarHBondContact O-N 2.73Å; R272-R276 PolarHBondContact O-N 3.4Å; R272-R276 VanDerWaalsContact O-N 3.15Å; R272-R276 PolarHBondContact O-NE 2.96Å
273A93.8Very high85.7Confident36 Ų3679 Ų7930%0.29838%0.384SS..Hα-helixtrans-73.9-22178.300000114S269 N270 R271 K277S269-A273 WeakPolarHBondContact O-CB 3.38Å; S269-A273 PolarHBondContact O-N 3.21Å; S269-A273 VanDerWaalsContact O-N 3.08Å; N270-A273 PolarHBondContact O-N 3.18Å; R271-A273 PolarHBondContact O-N 2.88Å; A273-K277 WeakPolarHBondContact O-CG 3.48Å
274R91.9Very high83.9Confident168 Ų16880.3 Ų80.363%0.63440%0.397SS*.Hα-helixtrans-81.7-46.6168.4-65.1-180-165.2-139.110111.2N270 R271 R276 K277 Q278N270-R274 PolarHBondContact O-N 3.25Å; N270-R274 VanDerWaalsContact O-N 3.09Å; R271-R274 PolarHBondContact O-N 3.45Å; R274-R276 VanDerWaalsContact C-N 3.35Å; R274-R276 PolarHBondContact O-N 3.14Å; R274-K277 WeakPolarHBondContact O-CA 3.47Å; R274-K277 WeakPolarHBondContact O-CB 3.32Å; R274-K277 PolarHBondContact O-N 2.86Å; R274-Q278 PolarHBondContact O-N 3.35Å
275W90.4Very high82.1Confident125 Ų12586 Ų8647%0.47343%0.425SS..Hα-helixtrans-50.7-51.1177.9-178-103.4000112.3F239 H243 R271 K277 Q278 A279F239-W275 HydrophobicContact CE1-CD2 4.48Å; F239-W275 HydrophobicContact CE1-CE3 4.43Å; F239-W275 HydrophobicContact CZ-CB 4.19Å; F239-W275 HydrophobicContact CZ-CG 4.43Å; H243-W275 AromaticContact CE1-CE2 3.99Å; H243-W275 AromaticContact CE1-NE1 3.92Å; R271-W275 PolarHBondContact O-N 2.99Å; W275-K277 PolarHBondContact O-N 3.42Å; W275-Q278 PolarHBondContact O-N 3.28Å; W275-Q278 VanDerWaalsContact O-N 3.14Å; W275-A279 PolarHBondContact O-N 3.06Å
276R90.1Very high80.2Confident149 Ų14983.9 Ų83.956%0.56242%0.424SS*.Hα-helixtrans-62.5-25.1176.8-76-178.7-75.9105.3-4.4114.4R272 R274 G280R272-R276 PolarHBondContact O-N 3.4Å; R272-R276 VanDerWaalsContact O-N 3.15Å; R272-R276 PolarHBondContact O-NE 2.96Å; R274-R276 VanDerWaalsContact C-N 3.35Å; R274-R276 PolarHBondContact O-N 3.14Å; R276-G280 PolarHBondContact O-N 3.21Å
277K83.8Confident78.1Confident162 Ų16287.6 Ų87.670%0.70444%0.435SS*.Hα-helixtrans-79.1-37.8173.8-70.4-179.5177.1-170.40112.2A273 R274 W275 A281A273-K277 WeakPolarHBondContact O-CG 3.48Å; R274-K277 WeakPolarHBondContact O-CA 3.47Å; R274-K277 WeakPolarHBondContact O-CB 3.32Å; R274-K277 PolarHBondContact O-N 2.86Å; W275-K277 PolarHBondContact O-N 3.42Å; K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 2.89Å
278Q77.3Confident76.1Confident113 Ų11391.8 Ų91.853%0.52846%0.459SS..Hα-helixtrans-65.7-45.9173.3-72.4167.5-54.100110.7R274 W275 G280 A281 N282R274-Q278 PolarHBondContact O-N 3.35Å; W275-Q278 PolarHBondContact O-N 3.28Å; W275-Q278 VanDerWaalsContact O-N 3.14Å; Q278-G280 PolarHBondContact O-N 3.24Å; Q278-A281 PolarHBondContact O-N 3.29Å; Q278-N282 WeakPolarHBondContact O-CB 3.36Å; Q278-N282 PolarHBondContact O-N 3.01Å; Q278-N282 PolarHBondContact O-OD1 3.17Å
279A70.6Confident74Confident42 Ų4299.2 Ų99.235%0.34749%0.494SS..Hα-helixtrans-58.1-45.2174.400000112.7W275 N282 Q283W275-A279 PolarHBondContact O-N 3.06Å; A279-N282 PolarHBondContact O-N 3.43Å; A279-Q283 WeakPolarHBondContact O-CG 3.39Å; A279-Q283 PolarHBondContact O-N 3.1Å
280G63Low71.8Confident27 Ų27102.9 Ų102.928%0.27851%0.508SS..Hα-helixtrans-66.7-34.2175.900000114.1R276 Q278 L284R276-G280 PolarHBondContact O-N 3.21Å; Q278-G280 PolarHBondContact O-N 3.24Å; G280-L284 WeakPolarHBondContact O-CG 3.31Å; G280-L284 PolarHBondContact O-N 3.21Å
281A60.6Low69.5Low47 Ų47103.2 Ų103.239%0.38851%0.508SS..Hα-helixtrans-68.4-41.5172.900000111.8K277 Q278 Q283 L284 M285K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 2.89Å; Q278-A281 PolarHBondContact O-N 3.29Å; A281-Q283 VanDerWaalsContact C-N 3.35Å; A281-L284 PolarHBondContact O-N 3.42Å; A281-M285 PolarHBondContact O-N 3.28Å
282N57Low67Low107 Ų107106.6 Ų106.657%0.57254%0.539SS*.Hα-helixtrans-67.6-33.4176.2-73.321.2000112Q278 A279 M285 A286Q278-N282 WeakPolarHBondContact O-CB 3.36Å; Q278-N282 PolarHBondContact O-N 3.01Å; Q278-N282 PolarHBondContact O-OD1 3.17Å; A279-N282 PolarHBondContact O-N 3.43Å; N282-M285 PolarHBondContact O-N 3.44Å; N282-A286 VanDerWaalsContact O-CB 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.5Å; N282-A286 PolarHBondContact O-N 3.32Å
283Q58.7Low65Low143 Ų143107.5 Ų107.567%0.66856%0.564SS**Hα-helixtrans-64.6-38.3171.7-77.6177.5-5.300112.3A279 A281 A286 F287A279-Q283 WeakPolarHBondContact O-CG 3.39Å; A279-Q283 PolarHBondContact O-N 3.1Å; A281-Q283 VanDerWaalsContact C-N 3.35Å; Q283-A286 PolarHBondContact O-N 3.05Å; Q283-F287 WeakPolarHBondContact O-CB 3.43Å; Q283-F287 PolarHBondContact O-N 2.91Å
284L57.4Low62.5Low126 Ų126107.9 Ų107.966%0.6657%0.571SS**Hα-helixtrans-65.8-35.8173.2-72.6164.3000112.4G280 A281 N288G280-L284 WeakPolarHBondContact O-CG 3.31Å; G280-L284 PolarHBondContact O-N 3.21Å; A281-L284 PolarHBondContact O-N 3.42Å; L284-N288 PolarHBondContact O-N 3.3Å; L284-N288 PolarHBondContact O-ND2 2.93Å
285M58.5Low60.2Low120 Ų120109.1 Ų109.159%0.59158%0.582SS**Hα-helixtrans-72.3-42173.3-70.3-175.5169.600112.4A281 N282 F287 N288 H289A281-M285 PolarHBondContact O-N 3.28Å; N282-M285 PolarHBondContact O-N 3.44Å; M285-F287 VanDerWaalsContact C-N 3.31Å; M285-F287 PolarHBondContact O-N 2.8Å; M285-N288 WeakPolarHBondContact O-CB 3.45Å; M285-N288 PolarHBondContact O-N 3.29Å; M285-N288 VanDerWaalsContact O-N 3.17Å; M285-H289 PolarHBondContact O-CD2 3.42Å; M285-H289 PolarHBondContact O-N 3.17Å
286A57.1Low58.1Low50 Ų50107.2 Ų107.241%0.41359%0.585SS.*Hα-helixtrans-62.7-37.6176.700000112N282 Q283 N288 H289 L290N282-A286 VanDerWaalsContact O-CB 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.5Å; N282-A286 PolarHBondContact O-N 3.32Å; Q283-A286 PolarHBondContact O-N 3.05Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 3.13Å; A286-H289 CarbonylContact O-C 3.52Å; A286-H289 PolarHBondContact O-N 3.45Å; A286-L290 PolarHBondContact O-N 3.43Å
287F52.3Low56.1Low140 Ų140106.6 Ų106.661%0.61460%0.601SS**Hα-helixtrans-61.3-39.1174-172.6-98.4000112.3Q283 M285 H289 L290Q283-F287 WeakPolarHBondContact O-CB 3.43Å; Q283-F287 PolarHBondContact O-N 2.91Å; M285-F287 VanDerWaalsContact C-N 3.31Å; M285-F287 PolarHBondContact O-N 2.8Å; F287-H289 PolarHBondContact O-N 3.48Å; F287-L290 PolarHBondContact O-N 3.02Å
288N53.5Low54.5Low108 Ų108104.9 Ų104.958%0.57860%0.604SS**Hα-helixtrans-65.3-23173.7-67.2-21.9000113.4L284 M285 A286L284-N288 PolarHBondContact O-N 3.3Å; L284-N288 PolarHBondContact O-ND2 2.93Å; M285-N288 WeakPolarHBondContact O-CB 3.45Å; M285-N288 PolarHBondContact O-N 3.29Å; M285-N288 VanDerWaalsContact O-N 3.17Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 3.13Å
289H53.2Low52.9Low158 Ų158102.4 Ų102.473%0.73160%0.603SS**Hα-helixtrans-95-11.8177.7-68.6-61.1000114.1M285 A286 F287M285-H289 PolarHBondContact O-CD2 3.42Å; M285-H289 PolarHBondContact O-N 3.17Å; A286-H289 CarbonylContact O-C 3.52Å; A286-H289 PolarHBondContact O-N 3.45Å; F287-H289 PolarHBondContact O-N 3.48Å
290L51.3Low51.7Low140 Ų140108.9 Ų108.973%0.73363%0.628SS**SBendtrans-91.12176.9-103.967000113.9A286 F287 P292A286-L290 PolarHBondContact O-N 3.43Å; F287-L290 PolarHBondContact O-N 3.02Å; L290-P292 WeakPolarHBondContact O-CD 3.46Å
291I48.7Very low51Low90 Ų90113.5 Ų113.546%0.46266%0.656SS.*SBendtrans-102.8108.1169.8-56.1-62.9000109.1G293 G294I291-G293 PolarHBondContact O-N 3.05Å; I291-G294 PolarHBondContact O-N 3.44Å; I291-G294 VanDerWaalsContact O-N 3.15Å
292P42.7Very low50.1Low138 Ų138116.3 Ų116.390%0.89667%0.673SS**THydrogen-bonded Turntrans-63.1103.3165.7-18.232.2000108.9L290L290-P292 WeakPolarHBondContact O-CD 3.46Å
293G53Low49.2Very low69 Ų69119 Ų11971%0.71169%0.685SS**THydrogen-bonded Turntrans111.517.3-173.400000116I291 F295I291-G293 PolarHBondContact O-N 3.05Å; G293-F295 PolarHBondContact O-N 3.3Å
294G40.8Very low48.3Very low44 Ų44116.7 Ų116.745%0.45468%0.683SS.*PPolyproline II helixtrans-52.6135.1172.100000113.6I291I291-G294 PolarHBondContact O-N 3.44Å; I291-G294 VanDerWaalsContact O-N 3.15Å
295F44.4Very low47.6Very low193 Ų193116.4 Ų116.485%0.84669%0.689SS**PPolyproline II helixtrans-58.9140.5-169.5-75.2-98.4000114.5G293G293-F295 PolarHBondContact O-N 3.3Å
296P45.5Very low46.4Very low85 Ų85121.4 Ų121.455%0.55270%0.703SS**PPolyproline II helixtrans-70.7148171.330.6-34.8000111.5T298P296-T298 PolarHBondContact O-N 3.3Å
297P49.1Very low45.3Very low137 Ų137128 Ų12889%0.8973%0.725SS**THydrogen-bonded Turntrans-7416.1-171.932.2-38.1000115.2
298T50.7Low44.4Very low126 Ų126129.3 Ų129.377%0.77374%0.738SS**THydrogen-bonded Turntrans-118-6.4-169.4-250000113.5P296 M300P296-T298 PolarHBondContact O-N 3.3Å; T298-M300 PolarHBondContact O-N 3.15Å
299A43Very low43.4Very low61 Ų61129.6 Ų129.650%0.50475%0.748SS.*  trans-96.257.7-167.800000114.5
300M45.8Very low42.4Very low178 Ų178129.8 Ų129.888%0.87775%0.754SS**  trans-13752.1172.2-77.3-6615200112.4T298T298-M300 PolarHBondContact O-N 3.15Å
301S47.7Very low41.4Very low123 Ų123128.4 Ų128.486%0.8676%0.757SS**SBendtrans-160.367.1167.5-80.60000111.9
302S42.4Very low40.8Very low107 Ų107130.1 Ų130.175%0.74877%0.771SS**  trans-172.9123.6154.3-175.60000109.3
303I38.3Very low40.1Very low162 Ų162134.9 Ų134.983%0.83177%0.773SS**  trans-135.3103163.6-53176.8000106.3
304P39.6Very low39.1Very low95 Ų95136.9 Ų136.962%0.61778%0.776SS**PPolyproline II helixtrans-72.1138.7165.530.5-31.8000108.9
305P41.9Very low39.4Very low121 Ų121140.2 Ų140.279%0.78679%0.79SS**PPolyproline II helixtrans-68.9135173.728.9-33.3000110.1Q307P305-Q307 PolarHBondContact O-N 2.98Å
306Y33.3Very low38.8Very low225 Ų225136.5 Ų136.588%0.88279%0.788SS**PPolyproline II helixtrans-65.9127.8170.1-104.1-96.7000109.9
307Q35Very low38.2Very low188 Ų188137.6 Ų137.688%0.87980%0.797SS**PPolyproline II helixtrans-72.7136.7157.6-69.9-179.1-10.600108.5P305P305-Q307 PolarHBondContact O-N 2.98Å
308L32.7Very low37.4Very low168 Ų168139.1 Ų139.188%0.8880%0.797SS**PPolyproline II helixtrans-93.4142.5163.6-73.4169.3000108.4
309S33.5Very low36.5Very low114 Ų114136.8 Ų136.880%0.79779%0.79SS**PPolyproline II helixtrans-74.3139-175.252.20000112.5
310D30.4Very low36Very low161 Ų161142.3 Ų142.386%0.86181%0.805SS**PPolyproline II helixtrans-60.2149.8169.4-125.5-49.6000112.2
311S31.5Very low35.2Very low112 Ų112141 Ų14178%0.78381%0.807SS**  trans-151.5107.3173.4-159.20000111.1
312T34.9Very low34.8Very low126 Ų126139.7 Ų139.777%0.77380%0.798SS**  trans-76.7125.3-169.7-46.30000113
313Y28.5Very low34.3Very low237 Ų237143.7 Ų143.793%0.92981%0.805SS**  trans-148.7151.3150.7-115.2-80.3000112.7
314S31.7Very low34.8Very low111 Ų111141.3 Ų141.378%0.77680%0.8SS**  trans-91.6165-171.2-120.90000113.8
315P47.8Very low35.6Very low115 Ų115142.3 Ų142.375%0.74781%0.806SS**  trans-93.7175.5-159.737.8-38.5000115.8
316S30.8Very low35Very low115 Ų115142.5 Ų142.580%0.80481%0.811SS**  trans-147.8101.1162.1-74.90000112.7
317S33.3Very low35.2Very low107 Ų107138.2 Ų138.275%0.74881%0.808SS**  trans51.4133.3135.8-51.30000123.8
318I33.1Very low35.2Very low170 Ų170136 Ų13687%0.87281%0.807SS**  trans73.9140143.6-79.9168.7000118.2
319A31.5Very low35.2Very low77 Ų77136.3 Ų136.364%0.63680%0.804SS**  cis-162.5156.9-22.700000112.6
320Q31.7Very low35.2Very low176 Ų176141.5 Ų141.582%0.82281%0.806SS**  trans17.5127.7154.1-58.9-179.8-74.200122.1
321V30.3Very low36Very low151 Ų151139.1 Ų139.192%0.91580%0.799SS**  -140.6150112.5174.20000107.7
322S38.5Very low36.2Very low96 Ų96142.1 Ų142.167%0.67180%0.801SS**  trans-123152.5-179.2-54.10000111.5
323E32.5Very low36.6Very low191 Ų191141.7 Ų141.789%0.89380%0.8SS**  trans-176.2135.4143.7-85.8-118.9111.600111.4
324P47.7Very low37.4Very low111 Ų111138.3 Ų138.372%0.72180%0.797SS**  trans-126.9-169.517142.4-29.8000112.5
325P56.3Low38.1Very low117 Ų117138.4 Ų138.476%0.7680%0.795SS**  cis-126.8-177.3-45.936.2-20.1000112.4
326S30.7Very low38Very low125 Ų125139.1 Ų139.187%0.87480%0.8SS**  trans-157.9159.4150.1-890000113.4
327T36.1Very low38.2Very low134 Ų134139.7 Ų139.782%0.82280%0.804SS**  trans-87.2171.5-171.861.10000112
328V36Very low38.5Very low141 Ų141140.1 Ų140.186%0.85581%0.806SS**  -155.7169.774.7162.70000111.9
329H33.2Very low38.5Very low176 Ų176135.5 Ų135.582%0.81580%0.801SS**  trans-94.4174.7-155.4-141.7-78.5000117.4
330R33.5Very low38.7Very low223 Ų223140.5 Ų140.584%0.84281%0.811SS**  trans90.4154.7153.5-98.4-153.3146.5102.5-1.6118.7
331P45.7Very low38.7Very low110 Ų110141.2 Ų141.271%0.71481%0.814SS**  -135.8171.7-117.639.9-20.1000117.2
332Q36.1Very low38.8Very low176 Ų176138.2 Ų138.282%0.82281%0.805SS**PPolyproline II helixtrans-98.3150.1166.7-75.7-77.8-24.600111.3
333P44.6Very low38.4Very low116 Ų116139.4 Ų139.475%0.75381%0.814SS**PPolyproline II helixtrans-79.3151.3172.233.1-34000112.5
334L44Very low38.4Very low166 Ų166135.3 Ų135.387%0.86981%0.812SS**PPolyproline II helixtrans-94.4152.2178.5-72.4168.1000112.3
335P46.8Very low37.6Very low113 Ų113134 Ų13473%0.73482%0.819SS**PPolyproline II helixtrans-76.4154.7170.233.5-35.2000111.8
336P45.9Very low36.3Very low131 Ų131132.5 Ų132.585%0.85182%0.824SS**PPolyproline II helixtrans-79.4150.1178.333-35.2000112.6
337S34.1Very low36.3Very low127 Ų127130.2 Ų130.289%0.88882%0.821SS**  trans-137.6155.2160.2-165.80000109.4
338S40.5Very low36.1Very low115 Ų115133.3 Ų133.380%0.80483%0.826SS**  trans-88.3146-164.3-165.60000113.9
339G33.4Very low35.9Very low73 Ų73130.6 Ų130.675%0.75382%0.818SS**  trans-162.9131.4172.100000111.8
340H36.1Very low36Very low183 Ų183130.3 Ų130.385%0.84782%0.823SS**  trans-98144.5178.3-67.9-95.4000111.7
341Q31.8Very low35.9Very low190 Ų190122.9 Ų122.989%0.88882%0.816SS**  trans-170.3149.6130-115.5-175.553.300114.3
342A30.5Very low35.3Very low89 Ų89121.5 Ų121.574%0.73682%0.822SS**  trans59.1149.7144.700000121.1
343S30.6Very low35.3Very low121 Ų121119 Ų11985%0.84682%0.823SS**  cis-169.1133.1-19.8178.10000111
344A34Very low34.7Very low105 Ų105116.5 Ų116.587%0.86881%0.812SS**  trans178.6145155.400000109.4
345G30.4Very low34.3Very low83 Ų83119.1 Ų119.186%0.85681%0.812SS**  cis164.6116.6-14.400000113.9
346G29.2Very low33.6Very low85 Ų85119.6 Ų119.688%0.87682%0.817SS**  trans108.3133.7161.100000119
347G29.1Very low33Very low77 Ų77121.9 Ų121.979%0.79482%0.821SS**  trans76.2118167.800000116
348Q31.9Very low32.8Very low200 Ų200120.4 Ų120.494%0.93582%0.816SS**  cis68.811933.1-160.5174.115.700112.8
349A33.6Very low32.4Very low84 Ų84121 Ų12169%0.69482%0.821SS**  cis-143.7-173.7-100000109.3
350D33.8Very low32.4Very low169 Ų169121.1 Ų121.190%0.90482%0.821SS**  cis-156.41722.1-151.4-33.3000109.1
351G32.3Very low32.5Very low68 Ų68123.8 Ų123.870%0.70182%0.824SS**  trans119.996155.400000118.9
352G31.8Very low32.7Very low81 Ų81123.6 Ų123.684%0.83582%0.823SS**  trans78.189.7136.300000120.1
353S36.9Very low32.7Very low123 Ų123124.9 Ų124.986%0.8683%0.826SS**  trans-66.1162.3155.3-1530000109.9
354A31.4Very low32.6Very low63 Ų63128.9 Ų128.952%0.52183%0.829SS.*  cis-172.3-179.744.300000116
355Y35.4Very low32.7Very low222 Ų222128 Ų12887%0.87182%0.817SS**  trans61.1106164.149.7-102.9000120.6
356C32.5Very low32.6Very low123 Ų123127.6 Ų127.683%0.83181%0.812SS**  trans-74.3163.3157.1-43.50000111.4
357L32.9Very low32.6Very low179 Ų179134.1 Ų134.194%0.93781%0.812SS**  -162.5155124.6-107167.8000110.8
358A31.5Very low32.7Very low95 Ų95135.6 Ų135.679%0.78581%0.81SS**  trans-107.1144.9-173.400000112.3
359S30.9Very low32.5Very low129 Ų129133.3 Ų133.390%0.90280%0.804SS**  trans-101.9114.5178.7-66.10000112.5
360G33.3Very low32.5Very low74 Ų74135.1 Ų135.176%0.76381%0.811SS**  trans-82.1171.7166.900000113
361R38.3Very low32.4Very low240 Ų240136.5 Ų136.591%0.90681%0.81SS**  trans-80143.1178.7-71.2171.9157.2-92.3-1112.7
362H35.6Very low32.7Very low186 Ų186138.5 Ų138.586%0.86181%0.808SS**  trans-164.7167.213240.3-83.8000110.4
363S31.1Very low32.8Very low115 Ų115139.5 Ų139.580%0.80480%0.803SS**  trans-116.5148.9-179.6-59.10000110.5
364F29.3Very low33.6Very low206 Ų206139.6 Ų139.690%0.90480%0.8SS**  trans-139.8162.9157-167.9-105.5000110.1
365S34.7Very low33.5Very low87 Ų87140.6 Ų140.661%0.60882%0.816SS**  trans-89.9149.1-174.7-166.10000112.3
366G28.9Very low33.2Very low74 Ų74133.3 Ų133.376%0.76381%0.809SS**  trans-140.5131.917400000110.3
367Y28.9Very low33.3Very low222 Ų222133.1 Ų133.187%0.87181%0.809SS**  trans-103.2175.2-178.3-112-95.8000111.4
368S31.6Very low33.4Very low107 Ų107130.1 Ų130.175%0.74880%0.798SS**  trans89.5133.6157.870.30000120.3
369D27.1Very low33.6Very low152 Ų152133 Ų13381%0.81380%0.801SS**  trans53117.8150.5-75.9-125000123.7
370S35Very low35Very low122 Ų122132.3 Ų132.385%0.85379%0.793SS**  trans-89.1138.1155.2-55.70000109.7
371F30.4Very low34.9Very low198 Ų198138.2 Ų138.287%0.86880%0.803SS**  trans-114.2142.1171.2-151.6-98.6000112.6
372V38.9Very low34.9Very low111 Ų111134 Ų13467%0.67380%0.798SS**  trans-64.1166.6178.3-107.60000112
373S33.4Very low34.8Very low102 Ų102130.2 Ų130.271%0.71379%0.793SS**  cis-170.4-155.815.4-132.40000108.2
374P55.1Low35Very low125 Ų125129 Ų12981%0.81279%0.79SS**  cis-134.7169.5-12.131.2-10.1000117.5
375G28.5Very low35.6Very low83 Ų83127 Ų12786%0.85679%0.786SS**  trans119.6128.9148.200000116
376G30.1Very low35.5Very low69 Ų69126 Ų12671%0.71179%0.79SS**  cis172.4155.6-8.600000112.6
377S34.9Very low35.8Very low119 Ų119130.5 Ų130.583%0.83280%0.797SS**  trans69.8145.6173.3-57.90000117.3
378T34Very low36Very low117 Ų117123.4 Ų123.472%0.71879%0.791SS**  cis-160.9144.4-6.412.60000113
379N35.3Very low36.1Very low156 Ų156127 Ų12783%0.83480%0.801SS**  trans71.8152.2150.3-65.7-7.8000123.6
380P60.3Low36.4Very low114 Ų114124.9 Ų124.974%0.7480%0.798SS**  trans-130.3175.4-170.644.5-28.8000116.3
381M32Very low37.3Very low198 Ų198124.1 Ų124.198%0.97579%0.79SS**  trans-172.5159.3140-107.7170.8-175.200113.4
382N37.3Very low37.5Very low151 Ų151122.8 Ų122.881%0.80779%0.787SS**  trans-157.5141.6-177173.939000113.2
383S34.3Very low37.3Very low107 Ų107123.5 Ų123.575%0.74879%0.791SS**  trans-176.6126.2156.1-78.20000108.3
384A35.7Very low37.5Very low89 Ų89126.8 Ų126.874%0.73680%0.797SS**  67.7136.472.600000112.8
385I40.3Very low36.5Very low163 Ų163124 Ų12484%0.83679%0.792SS**  cis-146.9161.418.4-59.8169.6000107.5
386G33.2Very low36.8Very low66 Ų66127 Ų12768%0.6879%0.787SS**  cis145.5179.7-2.700000113.5
387N36.1Very low37Very low170 Ų170130.9 Ų130.991%0.90979%0.791SS**  trans78.8128.9164.3-70.8-5.7000124.5
388G32.9Very low37.2Very low73 Ų73132.5 Ų132.575%0.75379%0.79SS**  trans105.8135.2145.300000117.6
389L32.9Very low37.9Very low181 Ų181132.4 Ų132.495%0.94879%0.792SS**  cis-152.3168.6-8.4-80.2175.8000109.6
390S34.8Very low37.6Very low109 Ų109128.7 Ų128.776%0.76279%0.791SS**  trans-121.6164.417169.30000112.3
391P54.1Low36.1Very low105 Ų105127 Ų12768%0.68279%0.794SS**  -138.8174.1101.515.28.7000113.1
392Q33.8Very low36.3Very low170 Ų170124.4 Ų124.479%0.79479%0.789SS**  cis-158140.4-1.1-119.1154.630.500111.6
393V34Very low36.7Very low127 Ų127122.6 Ų122.677%0.7779%0.785SS**  trans55.3110.7135.4176.10000120
394M37.6Very low36.4Very low170 Ų170125.8 Ų125.884%0.83779%0.788SS**  78.4144.980.6-144.671.7159.400113.9L396M394-L396 HydrophobicContact CE-CD1 4.39Å
395G35Very low36.3Very low68 Ų68129.6 Ų129.670%0.70179%0.791SS**  cis162.2168-3.500000109
396L34.2Very low36.8Very low144 Ų144125.7 Ų125.775%0.75478%0.776SS**  cis-146.9-108.5-3.4-125.9173000112.8M394M394-L396 HydrophobicContact CE-CD1 4.39Å
397L34.5Very low36.6Very low151 Ų151130.6 Ų130.679%0.79178%0.781SS**  trans-151.1132.4-168.2-79.7160.6000116.1
398N38.6Very low36.3Very low153 Ų153126.7 Ų126.782%0.81877%0.767SS**  trans55.1178.2150.2-115.57.3000119.5
399P48.8Very low36.1Very low115 Ų115129 Ų12975%0.74776%0.762SS**  cis-134163.7141.7-24.4000118.8
400G29.4Very low36.1Very low79 Ų79130.8 Ų130.881%0.81476%0.758SS**  trans74.8121.9134.900000121.9
401G28.8Very low35.9Very low79 Ų79129.3 Ų129.381%0.81475%0.752SS**  trans169.4128.8164.300000115.3
402V35.8Very low34.8Very low143 Ų143131.9 Ų131.987%0.86776%0.758SS**  trans-150.2132.8179.2-178.70000105.2
403P45.9Very low34.9Very low112 Ų112129.1 Ų129.173%0.72776%0.758SS**  -156.7-174.865.642.5-20.4000119.4
404H29.1Very low35.7Very low174 Ų174128.6 Ų128.681%0.80676%0.757SS**  trans100.2125.9144.3-126.6-58000121.2
405Q32.4Very low35.6Very low170 Ų170128.3 Ų128.379%0.79476%0.758SS**  trans-81.1-160.2160.9-126.3-160.4-20.200109.4
406P49.9Very low35.4Very low80 Ų80132.2 Ų132.252%0.51977%0.769SS.*  cis-134.3178.33.842.6-24.8000116.2
407Q30Very low35.2Very low169 Ų169129.1 Ų129.179%0.7977%0.771SS**  trans60.7161.3144.9-88.4174.1-39.200120.1
408S30.4Very low35.1Very low89 Ų89125.4 Ų125.462%0.62277%0.769SS**  cis-157.9141.4-1.941.20000111.8
409D28.8Very low34.7Very low120 Ų120127.1 Ų127.164%0.64278%0.777SS**  trans51.6158.5137-61.6-81.1000125
410Y31.5Very low34.1Very low220 Ų220130 Ų13086%0.86378%0.781SS**  trans73.3150.1168.9-52.4-77.8000119.3
411A30.9Very low35.7Very low77 Ų77131 Ų13164%0.63677%0.773SS**  cis-179.4177.8-38.600000108.7
412I32.3Very low36.9Very low160 Ų160132.2 Ų132.282%0.82177%0.767SS**  trans77.9119.5162.4-53.3-179.1000117.1
413S34.8Very low36.8Very low111 Ų111131.5 Ų131.578%0.77677%0.768SS**  trans-109.5163.7151.3-47.70000108.3
414P51.4Low36.1Very low117 Ų117129.6 Ų129.676%0.7677%0.768SS**  -152.8143.197.336.6-17.9000118.4
415L35.4Very low36.3Very low164 Ų164130.6 Ų130.686%0.85978%0.776SS**  trans18.7120.9140.8-58.8168.8000122.5
416T31.2Very low36.4Very low150 Ų150126.3 Ų126.392%0.9277%0.769SS**  trans171.6167.1131.628.60000109.3
417G29.8Very low35.6Very low78 Ų78127.3 Ų127.380%0.80479%0.785SS**  cis120.7117.3-900000114
418G31.4Very low35.8Very low73 Ų73124.4 Ų124.475%0.75378%0.783SS**  cis176.7-159.6-1.400000112.3
419L31.5Very low35.8Very low189 Ų189125.5 Ų125.599%0.9979%0.789SS**  trans85.9169.5175.1-52.8175.5000118.9
420E34.9Very low36.1Very low177 Ų177124.2 Ų124.283%0.82779%0.79SS**  trans-142.4172.6-166.5-108.1-108.6106.100109.8
421P63.9Low36.4Very low99 Ų99121.7 Ų121.764%0.64379%0.786SS**  cis-116.7-105.6-6.833.3-11000111.4
422P53.9Low36.2Very low105 Ų105130 Ų13068%0.68280%0.801SS**  cis-132.8164.3-6.142.7-24.4000118.7
423S32.8Very low36.3Very low128 Ų128128.2 Ų128.290%0.89579%0.79SS**  trans43.2124.8144.8-59.80000125
424G31.1Very low36.2Very low71 Ų71130.2 Ų130.273%0.73279%0.792SS**  136.7118.5122.300000122
425M34.9Very low35.4Very low195 Ų195131.7 Ų131.796%0.96179%0.789SS**  trans66.8153.7142.8-57.3-17186.700120.4
426A33.4Very low35.6Very low80 Ų80130.3 Ų130.366%0.66178%0.781SS**  cis-170.3172.9-21.100000111.7
427A32.8Very low35.8Very low102 Ų102133 Ų13384%0.84378%0.78SS**  trans69.6154.6152.800000120.5
428S35Very low35.8Very low108 Ų108133.8 Ų133.876%0.75578%0.779SS**  cis-169.9176.6-21.1-169.60000112.1
429C29.7Very low36Very low112 Ų112138.1 Ų138.176%0.75778%0.784SS**  trans73.2153.1165.1-63.60000118.1
430S35.2Very low37.1Very low93 Ų93134.4 Ų134.465%0.6577%0.771SS**  cis-162.8131-23.6-99.90000109
431Q37.3Very low37.1Very low166 Ų166130.2 Ų130.278%0.77676%0.761SS**  65.5126.286.8-66.8-162.936.700118.3
432R27.5Very low35.7Very low253 Ų253133.4 Ų133.496%0.95577%0.772SS**  trans-150.4154.2136.7-150.5172.7-175172.82.6109.4
433M35.4Very low35.7Very low121 Ų121133.6 Ų133.660%0.59677%0.773SS**  trans-157.4166.8-161.9-179.8160.757.400110.3
434D30.8Very low35.6Very low153 Ų153132.7 Ų132.782%0.81877%0.767SS**  trans-175.5159.8139.7-97.7-38.4000116.1
435H35.9Very low35.9Very low149 Ų149134 Ų13469%0.6977%0.765SS**  trans-155.1170.1-158.5-81.77.7000112.7
436I39.3Very low35.6Very low134 Ų134133.8 Ų133.869%0.68776%0.761SS**  cis-166.3150.9-19.4-100170.1000108.2
437K35.3Very low35.4Very low208 Ų208134.5 Ų134.590%0.90476%0.762SS**  trans-176.3165.5165.7-104.8142.6-161.2171.90111.1
438A29.5Very low35.4Very low94 Ų94140.1 Ų140.178%0.77776%0.762SS**  cis-143.2-132.80.600000113
439L35.6Very low35.1Very low164 Ų164139.9 Ų139.986%0.85976%0.76SS**  trans-153.8176.3-167.7-89.7172.2000110.5
440P55.5Low35.4Very low110 Ų110140.5 Ų140.571%0.71476%0.76SS**  cis-144.5165.720.343.2-23000121.5
441S33.9Very low36Very low90 Ų90142.4 Ų142.463%0.62977%0.77SS**  trans69.7108.9137.463.50000127.4
442L33.8Very low36.2Very low165 Ų165140 Ų14086%0.86477%0.772SS**  69.7160.5122.4-65.7178.6000123.1
443P54.6Low36.3Very low109 Ų109138.9 Ų138.971%0.70877%0.769SS**  cis-138.1172.8-22.836.3-17.5000117.7
444S31.7Very low36.3Very low110 Ų110137.7 Ų137.777%0.76977%0.773SS**  trans69.2153.7155.4-89.10000121
445S35.9Very low36.2Very low98 Ų98135.8 Ų135.869%0.68577%0.771SS**  cis-169.4157.6-16.1-105.60000114
446Q29.5Very low37Very low191 Ų191134.7 Ų134.789%0.89378%0.778SS**  trans72.7171.8157.7-73.6-15469.900122.5
447S29.7Very low36.5Very low95 Ų95131.4 Ų131.466%0.66478%0.777SS**  trans-151.7169.7-155.3-510000113.9
448Y31.4Very low36.3Very low219 Ų219132 Ų13286%0.85978%0.775SS**  trans91.6129.1161.3-69.8-75000122.4
449C29.1Very low36.6Very low103 Ų103133 Ų13370%0.69677%0.772SS**  trans66.5112142.3-66.70000124.1
450T36.8Very low36.4Very low126 Ų126131.5 Ų131.577%0.77377%0.769SS**  29.9137.8126.860.90000121.2
451P47.7Very low35.2Very low132 Ų132132.1 Ų132.186%0.85777%0.767SS**  -140.8174.5103.140-29.2000115.6
452S40.8Very low35.1Very low116 Ų116135.8 Ų135.881%0.81177%0.773SS**  trans-103144.2-178.2-44.20000113.1
453Y31Very low34.9Very low229 Ų229133.6 Ų133.690%0.89877%0.766SS**  trans-157.5163.5145.4-143.4-104.7000112.2
454S33.6Very low34.2Very low96 Ų96132.6 Ų132.667%0.67177%0.768SS**  trans-113.7151-179.2-550000111.9
455S30.3Very low34Very low113 Ų113133.3 Ų133.379%0.7977%0.773SS**  trans167.7-170.7139.2-65.90000108.8
456P52.8Low33.7Very low126 Ų126140 Ų14082%0.81879%0.785SS**  -136161.8-110.635.2-12.4000118.1
457G29.1Very low33.6Very low66 Ų66140.2 Ų140.268%0.6879%0.785SS**  trans94.9145.5147.700000118.5
458Y30.8Very low33.6Very low221 Ų221146 Ų14687%0.86779%0.794SS**  trans59139.3166.3-66.1-95.3000119
459T34.3Very low33.4Very low114 Ų114140.6 Ų140.670%0.69979%0.788SS**  cis-178.2155.1-31.827.10000108.4
460V33.3Very low33.4Very low133 Ų133144.3 Ų144.381%0.80680%0.796SS**  trans81.2130.4166.5179.30000118.5
461D29.3Very low33Very low123 Ų123150.1 Ų150.166%0.65881%0.805SS**  trans23.8133165.2-77.8-93.4000123
462H31Very low32.5Very low167 Ų167146.7 Ų146.777%0.77379%0.794SS**  -159143.662.4-103-83.4000115.7
463V30.3Very low32.1Very low118 Ų118150.3 Ų150.372%0.71580%0.798SS**  trans56.7127134.9173.70000122.6
464A40.2Very low32.2Very low89 Ų89145.2 Ų145.274%0.73680%0.795SS**  trans70.4115.7150.200000122.5
465S27.3Very low32.4Very low125 Ų125150.3 Ų150.387%0.87481%0.805SS**  -160.9139.8118.726.80000111.1
466Y29.5Very low32.9Very low239 Ų239151.3 Ų151.394%0.93781%0.806SS**  trans-113.1115.3-178.5-114.4-95000109.6
467Q28.2Very low32.1Very low194 Ų194152 Ų15291%0.90780%0.804SS**  trans-149.491.4167.1-145.5167.410.400114.8
468Y28.7Very low32.3Very low217 Ų217159.4 Ų159.485%0.85181%0.812SS**  trans28.2107.3143-159.8-97000119.7
469S27.6Very low32.4Very low105 Ų105160.9 Ų160.973%0.73482%0.817SS**  trans-157.2137.8148.6-91.90000115.2
470Q29.3Very low32.5Very low182 Ų182164.6 Ų164.685%0.8582%0.823SS**  trans24.2107.3156.4-53.2-16633.300120.3
471Y29.1Very low32.5Very low248 Ų248166.9 Ų166.997%0.97383%0.825SS**  trans-93.6111.3150.7-100.7-91.5000110.1
472G36.1Very low32.9Very low60 Ų60168 Ų16862%0.61984%0.836SS**  trans-141.89.8-16600000117.3
473Q33.1Very low33.3Very low192 Ų192167.1 Ų167.190%0.89784%0.842SS**  trans-168.4125.6172.9-112.3155.2102.100112.7
474S33.3Very low33.7Very low121 Ų121165.1 Ų165.185%0.84685%0.845SS**  trans-174.992.9144.1-174.50000111.1
475K36.4Very low33.4Very low203 Ų203169.4 Ų169.488%0.88385%0.854SS**  trans-162.644.4156.7-137.4161.7-167.4159.50115.1
476V41.9Very low33.6Very low134 Ų134169 Ų16981%0.81285%0.852SS**  trans-138.673.8173.3-133.70000110.5
477D36.3Very low34Very low142 Ų142163.9 Ų163.976%0.75985%0.851SS**  trans-166.292155.3-100.9-35.9000110.6
478Y32.6Very low34.1Very low220 Ų220159 Ų15986%0.86384%0.844SS**SBendtrans-156.538.1168-140.7-86.3000111.9
479W33.7Very low34.2Very low253 Ų253159 Ų15996%0.95885%0.848SS**SBendtrans-139.919.2-178.4-88.798.2000113.5
480K34.8Very low34.3Very low192 Ų192159.6 Ų159.684%0.83585%0.847SS**SBendtrans-129.924.2-175-107.7-168.9176-170.90114.9
481Q33.7Very low34.4Very low180 Ų180156.9 Ų156.984%0.84184%0.843SS**SBendtrans-138.641.7-175.9-151.4170.316.500114.1
482V37.8Very low34.5Very low146 Ų146154.3 Ų154.389%0.88584%0.837SS**SBendtrans-138.627.8167.5-154.10000111.5
483V39.1Very low34.3Very low150 Ų150158.7 Ų158.791%0.90985%0.846SS**SBendtrans-139.2117.2173.4-1740000107.6
484G38.7Very low34.3Very low75 Ų75155.1 Ų155.177%0.77384%0.842SS**  trans111.965-178.300000114.6
485L34.7Very low34.2Very low179 Ų179152.6 Ų152.694%0.93784%0.835SS**  trans-163.476.1157.3-111.7173.4000109.7
486S31.2Very low34.2Very low118 Ų118151.9 Ų151.983%0.82584%0.835SS**  trans-157.577168.6-164.50000111.4
487S37.5Very low34.7Very low131 Ų131150.3 Ų150.392%0.91683%0.828SS**  trans-164.679.8162.3-88.80000109.9
488A30.2Very low34.6Very low91 Ų91151.7 Ų151.775%0.75283%0.834SS**  trans-151.578.2167.800000108.6V490A488-V490 PolarHBondContact O-N 3.4Å; A488-V490 VanDerWaalsContact O-N 3.11Å
489K31.7Very low34.5Very low218 Ų218148.4 Ų148.495%0.94883%0.832SS**  trans-70.7100.8167.6-78.9-174.6175.2-177.80108
490V29.9Very low34.6Very low116 Ų116143.5 Ų143.570%0.70382%0.823SS**  trans-94109.7164.8-179.10000107.6A488 F492A488-V490 PolarHBondContact O-N 3.4Å; A488-V490 VanDerWaalsContact O-N 3.11Å; V490-F492 HydrophobicContact CG1-CD2 4.16Å; V490-F492 HydrophobicContact CG1-CE2 4.2Å
491T31.6Very low34.5Very low126 Ų126141.4 Ų141.477%0.77382%0.819SS**  trans-70.1127.6172.545.80000110.1
492F29.8Very low34.3Very low194 Ų194137.2 Ų137.285%0.85181%0.81SS**  trans-113.1131.9162.4-104.6-91.6000109.8V490V490-F492 HydrophobicContact CG1-CD2 4.16Å; V490-F492 HydrophobicContact CG1-CE2 4.2Å
493L31.7Very low34Very low152 Ų152137.4 Ų137.480%0.79681%0.806SS**  trans-96.7142.2178.7-81160.4000110.2
494S33Very low33.7Very low116 Ų116137.2 Ų137.281%0.81180%0.799SS**  trans32.5128.7148.361.80000120.9
495G31.3Very low33.5Very low69 Ų69139.3 Ų139.371%0.71180%0.796SS**  132.788124.600000119.3
496Q36.3Very low33.5Very low188 Ų188135.2 Ų135.288%0.87979%0.789SS**  trans66.6156150.4-60.3-61.9-17.600119.5
497P53.7Low33.6Very low101 Ų101139.3 Ų139.366%0.65679%0.792SS**  trans-105.2161.8-175.840.3-34.3000114.1
498L33.2Very low33.6Very low171 Ų171140.2 Ų140.290%0.89579%0.792SS**  trans-146.9153152.1-81.3-175000110.8
499D31.8Very low33.8Very low151 Ų151140.8 Ų140.881%0.80780%0.797SS**  trans-78.7-169.6-179-67.3-79.7000114.4
500I34.1Very low34Very low150 Ų150139 Ų13977%0.76979%0.792SS**  trans118.3119.5142.2-59.3-167.1000117.5
501L32.7Very low34.2Very low147 Ų147138 Ų13877%0.7779%0.79SS**  trans47.3101.7152.9-65.8167.3000121.7
502S29.7Very low34.5Very low93 Ų93146.7 Ų146.765%0.6581%0.811SS**  44.1146.6106.977.90000123.4
503L32.5Very low34.7Very low150 Ų150144.4 Ų144.479%0.78581%0.809SS**  trans92.4148138.6-146.972.2000118.3
504L33.5Very low34.9Very low146 Ų146143.9 Ų143.976%0.76481%0.809SS**  trans64.1157.4179.3-68.2106.8000117.2
505T33.4Very low35Very low118 Ų118145.5 Ų145.572%0.72481%0.809SS**  cis-163.3148.6-39.6-95.30000105.9
506A34.7Very low35.2Very low94 Ų94150 Ų15078%0.77782%0.815SS**  trans-62.1141.4-18000000113.2
507K33Very low35.2Very low204 Ų204147.6 Ų147.689%0.88781%0.811SS**  trans-145.5128144.3-116.2173-170.4178.20111.5
508T38.4Very low33.9Very low149 Ų149150.7 Ų150.791%0.91482%0.822SS**  trans-66.6142.2166.525.80000110.3
509A34.3Very low34Very low104 Ų104149.3 Ų149.386%0.8682%0.816SS**  trans-126.4145.1161.300000108
510Q35.7Very low34.1Very low180 Ų180149.2 Ų149.284%0.84182%0.817SS**  trans-122.1146.9-170.9-162.7172.3-0.900108.6
511S33.3Very low34.1Very low96 Ų96149.1 Ų149.167%0.67182%0.821SS**  trans45.8119.3164.157.10000119.1
512Y38.5Very low34.3Very low308 Ų308149.3 Ų149.3100%1.20883%0.826SS**  -134.2092.6-101.4-81.5000109.7

Retrieved 512 of 512 residues in 717 ms (Link to these results)