A0A060W4Y1_ONCMY Loading...

Probetacellulin

Growth factor that binds to EGFR, ERBB4 and other EGF receptor family members. Potent mitogen for retinal pigment epithelial cells and vascular smooth muscle cells.

AlphaFold DB , UniProt , Accession A0A060W4Y1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 188 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
1M48.9Very low63.4Low166 Ų166103.3 Ų103.382%0.81856%0.559SS**  0-750-54.2-64.3-9200110.1K3 A4 C5M1-K3 PolarHBondContact O-N 2.9Å; M1-A4 PolarHBondContact O-N 2.66Å; M1-C5 PolarHBondContact O-N 2.6Å; M1-C5 VanDerWaalsContact O-N 3.1Å
2A48.7Very low64.8Low70 Ų70100.1 Ų100.158%0.57955%0.545SS*.Hα-helixtrans-57.4-40.5-173.100000116.5A4 K6A2-A4 PolarHBondContact O-N 2.85Å; A2-K6 WeakPolarHBondContact O-CG 3.03Å; A2-K6 PolarHBondContact O-N 3.44Å
3K53.8Low65.9Low169 Ų16997.8 Ų97.874%0.73554%0.536SS*.Hα-helixtrans-70.6-30.6-179.2-63.4-174.5177.6-173.90113.4M1 L7M1-K3 PolarHBondContact O-N 2.9Å; K3-L7 PolarHBondContact O-N 3.4Å
4A59.3Low66.9Low56 Ų5694.9 Ų94.946%0.46353%0.532SS..Hα-helixtrans-79.3-37.7177.100000111.3M1 A2 L7 Y8M1-A4 PolarHBondContact O-N 2.66Å; A2-A4 PolarHBondContact O-N 2.85Å; A4-L7 PolarHBondContact O-N 3.33Å; A4-Y8 WeakPolarHBondContact O-CB 3.04Å; A4-Y8 PolarHBondContact O-N 3.03Å
5C52.1Low67.8Low80 Ų8095 Ų9554%0.54153%0.53SS..Hα-helixtrans-59.3-45.5169.7-79.10000111.5M1 L7 Y8 V9M1-C5 PolarHBondContact O-N 2.6Å; M1-C5 VanDerWaalsContact O-N 3.1Å; C5-L7 VanDerWaalsContact C-N 3.27Å; C5-L7 PolarHBondContact O-N 3.13Å; C5-Y8 PolarHBondContact O-N 3.05Å; C5-V9 VanDerWaalsContact O-CB 3.24Å; C5-V9 WeakPolarHBondContact O-CB 3.33Å; C5-V9 WeakPolarHBondContact O-CG2 3.29Å; C5-V9 PolarHBondContact O-N 3.27Å
6K62.9Low68.5Low166 Ų16692.2 Ų92.272%0.72252%0.523SS*.Hα-helixtrans-60.8-35.9177.9-75.2-175.9177.6-168.60113.2A2 G10A2-K6 WeakPolarHBondContact O-CG 3.03Å; A2-K6 PolarHBondContact O-N 3.44Å; K6-G10 PolarHBondContact O-N 3.23Å
7L69.4Low69Low88 Ų8893.1 Ų93.146%0.46153%0.525SS..Hα-helixtrans-78.9-39.9-179.9-129.5156.9000112.1K3 A4 C5 G10 I11 F134K3-L7 PolarHBondContact O-N 3.4Å; A4-L7 PolarHBondContact O-N 3.33Å; C5-L7 VanDerWaalsContact C-N 3.27Å; C5-L7 PolarHBondContact O-N 3.13Å; L7-G10 PolarHBondContact O-N 3.49Å; L7-I11 HydrophobicContact CD2-CD1 3.9Å; L7-I11 HydrophobicContact CD2-CG1 4.25Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 2.83Å; L7-F134 HydrophobicContact CB-CE2 4.29Å; L7-F134 HydrophobicContact CB-CZ 4.22Å; L7-F134 HydrophobicContact CD1-CE2 3.78Å; L7-F134 HydrophobicContact CD2-CD2 4.19Å; L7-F134 HydrophobicContact CD2-CE2 3.27Å; L7-F134 HydrophobicContact CD2-CZ 3.68Å; L7-F134 HydrophobicContact CG-CE2 3.93Å; L7-F134 HydrophobicContact CG-CZ 4.32Å
8Y74.9Confident69.2Low162 Ų16291.7 Ų91.764%0.63552%0.521SS*.Hα-helixtrans-63.4-43.7171.8-176-100.3000111.4A4 C5 G10 I11 V12A4-Y8 WeakPolarHBondContact O-CB 3.04Å; A4-Y8 PolarHBondContact O-N 3.03Å; C5-Y8 PolarHBondContact O-N 3.05Å; Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3Å; Y8-I11 PolarHBondContact O-N 3.21Å; Y8-V12 HydrophobicContact CD1-CG2 4Å; Y8-V12 HydrophobicContact CD2-CG2 4.47Å; Y8-V12 HydrophobicContact CE1-CG2 3.68Å; Y8-V12 HydrophobicContact CE2-CG2 4.17Å; Y8-V12 HydrophobicContact CG-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CB 3.04Å; Y8-V12 WeakPolarHBondContact O-CG2 3.46Å; Y8-V12 PolarHBondContact O-N 3.44Å
9V70.8Confident69.6Low83 Ų8395 Ų9550%0.50353%0.529SS..Hα-helixtrans-60.9-44.7172.3171.70000109.8C5 I11 V12 T13C5-V9 VanDerWaalsContact O-CB 3.24Å; C5-V9 WeakPolarHBondContact O-CB 3.33Å; C5-V9 WeakPolarHBondContact O-CG2 3.29Å; C5-V9 PolarHBondContact O-N 3.27Å; V9-I11 PolarHBondContact O-N 2.92Å; V9-V12 PolarHBondContact O-N 3.32Å; V9-T13 VanDerWaalsContact O-CB 3.24Å; V9-T13 WeakPolarHBondContact O-CB 3.18Å; V9-T13 PolarHBondContact O-N 2.82Å; V9-T13 PolarHBondContact O-OG1 2.88Å
10G75.8Confident69.4Low38 Ų3894.4 Ų94.439%0.39253%0.53SS..Hα-helixtrans-59.1-42.9175.100000113.8K6 L7 Y8 A14K6-G10 PolarHBondContact O-N 3.23Å; L7-G10 PolarHBondContact O-N 3.49Å; Y8-G10 VanDerWaalsContact C-N 3.34Å; Y8-G10 PolarHBondContact O-N 3Å; G10-A14 WeakPolarHBondContact O-CB 3.04Å; G10-A14 PolarHBondContact O-N 3.05Å
11I81.1Confident69.3Low58 Ų5892.7 Ų92.730%0.29753%0.525SS..Hα-helixtrans-68.2-44.6177-67.8164.3000110.7L7 Y8 V9 A14 L15 F134L7-I11 HydrophobicContact CD2-CD1 3.9Å; L7-I11 HydrophobicContact CD2-CG1 4.25Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 2.83Å; Y8-I11 PolarHBondContact O-N 3.21Å; V9-I11 PolarHBondContact O-N 2.92Å; I11-A14 PolarHBondContact O-N 2.02Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 2.86Å; I11-F134 HydrophobicContact CD1-CD1 4.21Å; I11-F134 HydrophobicContact CD1-CE1 3.63Å; I11-F134 HydrophobicContact CD1-CE2 4.24Å; I11-F134 HydrophobicContact CD1-CZ 3.65Å
12V79.3Confident69.8Low65 Ų6589 Ų8939%0.39451%0.508SS..Hα-helixtrans-65.8-41.4178.6171.60000110.8Y8 V9 L15 A16Y8-V12 HydrophobicContact CD1-CG2 4Å; Y8-V12 HydrophobicContact CD2-CG2 4.47Å; Y8-V12 HydrophobicContact CE1-CG2 3.68Å; Y8-V12 HydrophobicContact CE2-CG2 4.17Å; Y8-V12 HydrophobicContact CG-CG2 4.39Å; Y8-V12 WeakPolarHBondContact O-CB 3.04Å; Y8-V12 WeakPolarHBondContact O-CG2 3.46Å; Y8-V12 PolarHBondContact O-N 3.44Å; V9-V12 PolarHBondContact O-N 3.32Å; V12-L15 PolarHBondContact O-N 2.93Å; V12-A16 WeakPolarHBondContact O-CB 3.11Å; V12-A16 PolarHBondContact O-N 2.95Å
13T79.6Confident70Confident71 Ų7188.5 Ų88.544%0.43650%0.504SS..Hα-helixtrans-64.9-42.8173.9-57.60000110.9V9 A16 L17V9-T13 VanDerWaalsContact O-CB 3.24Å; V9-T13 WeakPolarHBondContact O-CB 3.18Å; V9-T13 PolarHBondContact O-N 2.82Å; V9-T13 PolarHBondContact O-OG1 2.88Å; T13-A16 PolarHBondContact O-N 2.82Å; T13-L17 HydrophobicContact CG2-CD1 4.07Å; T13-L17 HydrophobicContact CG2-CG 4.39Å; T13-L17 WeakPolarHBondContact O-CB 3.34Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.16Å; T13-L17 PolarHBondContact O-N 3.3Å
14A80Confident69.6Low57 Ų5788 Ų8847%0.47150%0.504SS..Hα-helixtrans-65.9-39.9176.800000112.4G10 I11 C18G10-A14 WeakPolarHBondContact O-CB 3.04Å; G10-A14 PolarHBondContact O-N 3.05Å; I11-A14 PolarHBondContact O-N 2.02Å; A14-C18 WeakPolarHBondContact O-CB 2.99Å; A14-C18 PolarHBondContact O-N 2.76Å
15L80.8Confident68.9Low96 Ų9695.9 Ų95.950%0.50352%0.522SS..Hα-helixtrans-68-38.1174.8-72.5172.7000111.7I11 V12 C18 K19I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.22Å; I11-L15 WeakPolarHBondContact O-CG 3.24Å; I11-L15 PolarHBondContact O-N 2.86Å; V12-L15 PolarHBondContact O-N 2.93Å; L15-C18 PolarHBondContact O-N 3.31Å; L15-K19 VanDerWaalsContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CB 3.4Å; L15-K19 VanDerWaalsContact O-CG 3.23Å; L15-K19 WeakPolarHBondContact O-CG 3.34Å; L15-K19 PolarHBondContact O-N 2.94Å
16A78.8Confident68.5Low50 Ų5098.8 Ų98.841%0.41353%0.532SS..Hα-helixtrans-65.5-46.7174.400000111.1V12 T13 C18 K19 C20V12-A16 WeakPolarHBondContact O-CB 3.11Å; V12-A16 PolarHBondContact O-N 2.95Å; T13-A16 PolarHBondContact O-N 2.82Å; A16-C18 PolarHBondContact O-N 2.86Å; A16-K19 PolarHBondContact O-N 2.03Å; A16-C20 PolarHBondContact O-N 2.03Å; A16-C20 PolarHBondContact O-SG 3.21Å
17L76.1Confident67.8Low108 Ų10893.8 Ų93.857%0.56552%0.522SS*.Hα-helixtrans-60.8-45174.7-71.9172.6000111.2T13 K19 C20 S21T13-L17 HydrophobicContact CG2-CD1 4.07Å; T13-L17 HydrophobicContact CG2-CG 4.39Å; T13-L17 WeakPolarHBondContact O-CB 3.34Å; T13-L17 VanDerWaalsContact O-CG 3.23Å; T13-L17 WeakPolarHBondContact O-CG 3.16Å; T13-L17 PolarHBondContact O-N 3.3Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.48Å; L17-C20 WeakPolarHBondContact O-CB 3.17Å; L17-C20 PolarHBondContact O-N 3.47Å; L17-C20 VanDerWaalsContact O-N 3.14Å; L17-S21 PolarHBondContact O-N 2.81Å; L17-S21 PolarHBondContact O-OG 3.49Å
18C73.4Confident66.7Low67 Ų6795.3 Ų95.345%0.45354%0.535SS..Hα-helixtrans-61.9-39.7176.3-168.70000111.7A14 L15 A16 S21 L22A14-C18 WeakPolarHBondContact O-CB 2.99Å; A14-C18 PolarHBondContact O-N 2.76Å; L15-C18 PolarHBondContact O-N 3.31Å; A16-C18 PolarHBondContact O-N 2.86Å; C18-S21 PolarHBondContact O-N 2.97Å; C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 WeakPolarHBondContact O-CD1 2.98Å; C18-L22 WeakPolarHBondContact O-CG 3.25Å; C18-L22 PolarHBondContact O-N 3.44Å
19K77.2Confident65Low155 Ų15596.9 Ų96.967%0.67455%0.549SS*.Hα-helixtrans-65.7-37.2172.8-77.9-74.1-174.5177.30112.8L15 A16 L17 L22 A23L15-K19 VanDerWaalsContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CB 3.4Å; L15-K19 VanDerWaalsContact O-CG 3.23Å; L15-K19 WeakPolarHBondContact O-CG 3.34Å; L15-K19 PolarHBondContact O-N 2.94Å; A16-K19 PolarHBondContact O-N 2.03Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.48Å; K19-L22 PolarHBondContact O-N 3.49Å; K19-A23 WeakPolarHBondContact O-CB 3.02Å; K19-A23 PolarHBondContact O-N 3.41Å
20C64.3Low63.7Low82 Ų82100.8 Ų100.855%0.55456%0.561SS**Hα-helixtrans-65.1-44.6172.6-67.60000111.2A16 L17 L22 A23 E24A16-C20 PolarHBondContact O-N 2.03Å; A16-C20 PolarHBondContact O-SG 3.21Å; L17-C20 WeakPolarHBondContact O-CB 3.17Å; L17-C20 PolarHBondContact O-N 3.47Å; L17-C20 VanDerWaalsContact O-N 3.14Å; C20-L22 VanDerWaalsContact C-N 3.34Å; C20-L22 PolarHBondContact O-N 3.43Å; C20-A23 WeakPolarHBondContact O-CB 3Å; C20-A23 PolarHBondContact O-N 3.05Å; C20-E24 PolarHBondContact O-N 3.2Å; C20-E24 VanDerWaalsContact O-N 3.07Å
21S68.3Low61.9Low60 Ų60104.7 Ų104.742%0.4258%0.58SS.*Hα-helixtrans-62.5-40.5174.8-46.70000111.9L17 C18 A23 E24 W25L17-S21 PolarHBondContact O-N 2.81Å; L17-S21 PolarHBondContact O-OG 3.49Å; C18-S21 PolarHBondContact O-N 2.97Å; S21-A23 VanDerWaalsContact C-N 3.34Å; S21-E24 WeakPolarHBondContact O-CB 3.49Å; S21-E24 PolarHBondContact O-N 3.26Å; S21-W25 PolarHBondContact O-N 3.17Å; S21-W25 VanDerWaalsContact O-N 3.11Å
22L59.1Low59.8Low87 Ų87105.9 Ų105.946%0.45560%0.598SS.*Hα-helixtrans-68.7-30.5175.6-85.6150.7000112.8C18 K19 C20 E24 W25 N26C18-L22 WeakPolarHBondContact O-CB 3.48Å; C18-L22 WeakPolarHBondContact O-CD1 2.98Å; C18-L22 WeakPolarHBondContact O-CG 3.25Å; C18-L22 PolarHBondContact O-N 3.44Å; K19-L22 PolarHBondContact O-N 3.49Å; C20-L22 VanDerWaalsContact C-N 3.34Å; C20-L22 PolarHBondContact O-N 3.43Å; L22-E24 VanDerWaalsContact C-N 3.34Å; L22-W25 PolarHBondContact O-N 2.91Å; L22-N26 WeakPolarHBondContact O-CB 3.45Å; L22-N26 VanDerWaalsContact O-CG 3.26Å; L22-N26 PolarHBondContact O-N 3.32Å; L22-N26 VanDerWaalsContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 3.07Å
23A53.9Low58.1Low61 Ų61109.1 Ų109.150%0.50461%0.613SS.*Hα-helixtrans-69.2-36173.200000111.4K19 C20 S21 W25 N26K19-A23 WeakPolarHBondContact O-CB 3.02Å; K19-A23 PolarHBondContact O-N 3.41Å; C20-A23 WeakPolarHBondContact O-CB 3Å; C20-A23 PolarHBondContact O-N 3.05Å; S21-A23 VanDerWaalsContact C-N 3.34Å; A23-W25 VanDerWaalsContact C-N 3.31Å; A23-N26 PolarHBondContact O-N 3.33Å
24E44.2Very low56.1Low157 Ų157114.2 Ų114.273%0.73463%0.629SS**Hα-helixtrans-69.5-27.4175.4-150.5162.8-166.200112.4C20 S21 L22C20-E24 PolarHBondContact O-N 3.2Å; C20-E24 VanDerWaalsContact O-N 3.07Å; S21-E24 WeakPolarHBondContact O-CB 3.49Å; S21-E24 PolarHBondContact O-N 3.26Å; L22-E24 VanDerWaalsContact C-N 3.34Å
25W45.8Very low54.2Low223 Ų223117.5 Ų117.585%0.84564%0.639SS**Hα-helixtrans-84.8-18.1173.1-83.467.4000114.6S21 L22 A23S21-W25 PolarHBondContact O-N 3.17Å; S21-W25 VanDerWaalsContact O-N 3.11Å; L22-W25 PolarHBondContact O-N 2.91Å; A23-W25 VanDerWaalsContact C-N 3.31Å
26N43Very low52.1Low140 Ų140119 Ų11975%0.74965%0.652SS**SBendtrans-89.2-7.4179.5-77.7-36.4000113.4L22 A23L22-N26 WeakPolarHBondContact O-CB 3.45Å; L22-N26 VanDerWaalsContact O-CG 3.26Å; L22-N26 PolarHBondContact O-N 3.32Å; L22-N26 VanDerWaalsContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 3.07Å; A23-N26 PolarHBondContact O-N 3.33Å
27A49.3Very low50.4Low62 Ų62121.2 Ų121.251%0.51266%0.664SS.*SBendtrans-113.1108.6172.400000109.5
28T45.2Very low48.3Very low120 Ų120126.2 Ų126.274%0.73668%0.676SS**  trans79.992.8161.7-32.60000117.3E30T28-E30 HydrophobicContact CG2-CB 4.32Å
29E40.2Very low46.1Very low195 Ų195132.9 Ų132.991%0.91169%0.693SS**  -11785.7127.4-71.7-150.8162.600108.9
30E41.8Very low44.4Very low164 Ų164134 Ų13477%0.76670%0.7SS**  trans-70.8138.5143.5-135.2-143.5150.800106.7T28 A32T28-E30 HydrophobicContact CG2-CB 4.32Å; E30-A32 PolarHBondContact O-N 3.3Å
31P39.2Very low43.1Very low121 Ų121139.3 Ų139.379%0.78672%0.717SS**  trans-73.795.1-174.729.6-31.9000110.5N33P31-N33 VanDerWaalsContact C-N 3.34Å; P31-N33 PolarHBondContact O-N 3.2Å
32A37.2Very low41.3Very low82 Ų82140.2 Ų140.268%0.67874%0.735SS**  trans-76.388.1168.200000110.1E30 K34E30-A32 PolarHBondContact O-N 3.3Å; A32-K34 PolarHBondContact O-N 3.33Å
33N42.1Very low39.9Very low133 Ų133143.3 Ų143.371%0.71175%0.752SS**  trans-45107153.5169.513.2000109.8P31 N35P31-N33 VanDerWaalsContact C-N 3.34Å; P31-N33 PolarHBondContact O-N 3.2Å; N33-N35 PolarHBondContact OD1-N 2.94Å
34K37.9Very low39.1Very low178 Ų178145.1 Ų145.177%0.77476%0.757SS**  trans-113.292.6167.3-77.1-177.1-179.6172.50109.6A32 V36A32-K34 PolarHBondContact O-N 3.33Å; K34-V36 PolarHBondContact O-N 3.46Å
35N39.8Very low39.3Very low127 Ų127145 Ų14568%0.67976%0.761SS**  trans-68.691.1162.351.7-3000110.9N33 S37N33-N35 PolarHBondContact OD1-N 2.94Å; N35-S37 PolarHBondContact O-N 3.11Å
36V38.3Very low39.3Very low127 Ų127141.8 Ų141.877%0.7776%0.761SS**  trans-86.592.5166.1179.70000108.8K34 R38K34-V36 PolarHBondContact O-N 3.46Å; V36-R38 PolarHBondContact O-N 3.45Å
37S43.2Very low39Very low96 Ų96144.5 Ų144.567%0.67177%0.766SS**  trans-71.1114.2164.1-65.40000109.7N35N35-S37 PolarHBondContact O-N 3.11Å
38R31.3Very low38.7Very low213 Ų213146.7 Ų146.780%0.80477%0.773SS**  trans-104.697.8164.5-170-175.1-66.3158.9-0.3108.4V36V36-R38 PolarHBondContact O-N 3.45Å
39Y27.4Very low38.4Very low208 Ų208148.6 Ų148.682%0.81678%0.779SS**  trans-69.4122.5166.4-83.7-93.5000108.9
40H40.3Very low38.6Very low179 Ų179144 Ų14483%0.82977%0.769SS**  trans-105.3116.5150.5-97.8-71.8000108.1
41Q38.2Very low38.4Very low193 Ų193144.8 Ų144.890%0.90278%0.776SS**  trans-78.1128.3-177.2-176.1164.2-8.100110.1
42G29.6Very low38.6Very low78 Ų78142.8 Ų142.880%0.80476%0.757SS**  trans-156.8121.2172.900000109.2
43N31.1Very low38.5Very low153 Ų153144.2 Ų144.282%0.81876%0.757SS**  trans-75.7130.5-155.4-169.835.9000115.4
44T36.9Very low38.3Very low99 Ų99142.4 Ų142.461%0.60776%0.761SS**  trans15.9134.9144.8-29.10000121.6
45N47Very low38.2Very low153 Ų153140 Ų14082%0.81876%0.761SS**  -167.9106.8125.2-78-15.8000111.4
46N46.5Very low38.2Very low157 Ų157142.6 Ų142.684%0.8477%0.769SS**  trans37.5104.7154.7-64.2-15.2000121
47F37.6Very low38.7Very low197 Ų197139.1 Ų139.186%0.86475%0.754SS**  -167.6144.8119.7-161.6-109.7000111
48T42.3Very low38.6Very low107 Ų107144.5 Ų144.566%0.65677%0.765SS**  trans-53.5140.9-172.3-12.40000115.2
49D39.3Very low39.6Very low160 Ų160139.4 Ų139.486%0.85675%0.746SS**  trans65.878.6150.9-141.616.3000118.3
50S42.7Very low40.9Very low100 Ų100133.1 Ų133.170%0.69973%0.732SS**  trans-171.187.8157.641.80000113
51I39.2Very low41.8Very low179 Ų179128.1 Ų128.192%0.91873%0.729SS**  trans-104.784.8154.4-58-172.9000107.4
52E42.3Very low43.2Very low80 Ų80124.2 Ų124.237%0.37471%0.711SS.*  trans-146.665.5168.1-156.7179.9-137.100108.5K65 R71E52-K65 VanDerWaalsContact CB-NZ 3.31Å; E52-K65 PolarHBondContact O-NZ 3.27Å; E52-K65 WeakPolarHBondContact OE2-CE 3.47Å; E52-K65 IonicContact OE2-NZ 2.96Å; E52-K65 PolarHBondContact OE2-NZ 3.16Å; E52-R71 VanDerWaalsContact CD-NH2 3.25Å; E52-R71 IonicContact OE1-CZ 2.66Å; E52-R71 IonicContact OE1-NH1 2.85Å; E52-R71 PolarHBondContact OE1-NH1 2.84Å; E52-R71 IonicContact OE1-NH2 3.73Å; E52-R71 PolarHBondContact OE1-NH2 3.46Å; E52-R71 IonicContact OE2-CZ 2.9Å; E52-R71 IonicContact OE2-NH1 3.55Å; E52-R71 IonicContact OE2-NH2 2.6Å; E52-R71 PolarHBondContact OE2-NH2 2.69Å
53T35Very low45.4Very low112 Ų112123.2 Ų123.269%0.68768%0.684SS**  trans-151.497.5-177.31.70000112.8
54A38.1Very low47.7Very low95 Ų95117.9 Ų117.979%0.78566%0.657SS**SBendtrans-172.289132.600000104.9
55T36.1Very low49.7Very low127 Ų127118.3 Ų118.378%0.77965%0.651SS**  -142.4111.789.1-480000110.4A57T55-A57 PolarHBondContact O-N 3.14Å
56Q40.7Very low51.5Low181 Ų181111.6 Ų111.685%0.84662%0.615SS**  trans-67.886.8164-82.8-178.4-26.700108.8
57A48.7Very low53.2Low55 Ų55106.5 Ų106.546%0.45559%0.591SS.*  trans-65.6128.4147.800000106.2T55 W59T55-A57 PolarHBondContact O-N 3.14Å; A57-W59 PolarHBondContact O-N 2.97Å; A57-W59 PolarHBondContact O-NE1 3.13Å
58K41.2Very low55.1Low209 Ų209105.3 Ų105.391%0.90959%0.585SS**  trans-60.799.6173.5179.4175176.1177.50108.4S60K58-S60 PolarHBondContact O-N 3.13Å; K58-S60 VanDerWaalsContact O-N 3.16Å
59W50.5Low56.7Low106 Ų106108.3 Ų108.340%0.40259%0.592SS.*  trans-75.1103.1179.6-60.781.3000107.9A57 F63 T64 R80A57-W59 PolarHBondContact O-N 2.97Å; A57-W59 PolarHBondContact O-NE1 3.13Å; W59-F63 HydrophobicContact CE3-CB 3.36Å; W59-F63 HydrophobicContact CZ3-CB 3.73Å; W59-T64 WeakPolarHBondContact CH2-O 3.47Å; W59-T64 WeakPolarHBondContact CZ3-O 3.45Å; W59-R80 HydrophobicContact CH2-CB 3.71Å; W59-R80 HydrophobicContact CZ3-CB 3.53Å
60S54.8Low58.6Low75 Ų75104.1 Ų104.152%0.52457%0.566SS.*  trans-60.9138.6160.841.70000107.9K58 H62 F63K58-S60 PolarHBondContact O-N 3.13Å; K58-S60 VanDerWaalsContact O-N 3.16Å; S60-H62 PolarHBondContact O-N 3.32Å; S60-F63 PolarHBondContact O-N 3.06Å; S60-F63 VanDerWaalsContact O-N 3.14Å
61G59.7Low60.1Low74 Ų74104.3 Ų104.376%0.76355%0.551SS**THydrogen-bonded Turntrans-54.91-16000000119.3
62H67.7Low62.2Low112 Ų112102.7 Ų102.752%0.51955%0.545SS..THydrogen-bonded Turntrans-90.6-15.1176.5-64-91.6000114.1S60 K83 E84S60-H62 PolarHBondContact O-N 3.32Å; H62-K83 PolarHBondContact O-N 3.14Å; H62-E84 IonicContact ND1-OE2 3.99Å
63F75.2Confident64.3Low57 Ų57102 Ų10225%0.2554%0.539CS..EExtended strand (participates in β ladder)trans-113.7142.2-175.8-58.5-77.9000111W59 S60 F81 V82W59-F63 HydrophobicContact CE3-CB 3.36Å; W59-F63 HydrophobicContact CZ3-CB 3.73Å; S60-F63 PolarHBondContact O-N 3.06Å; S60-F63 VanDerWaalsContact O-N 3.14Å; F63-F81 CarbonylContact C-O 3.56Å; F63-F81 WeakPolarHBondContact CA-O 3.46Å; F63-V82 HydrophobicContact CD1-CG2 3.97Å; F63-V82 HydrophobicContact CE1-CG2 3.77Å
64T80.1Confident67Low40 Ų4097.3 Ų97.325%0.24551%0.511CS..EExtended strand (participates in β ladder)trans-134.3166.4173.947.40000113.2W59 F81 K83W59-T64 WeakPolarHBondContact CH2-O 3.47Å; W59-T64 WeakPolarHBondContact CZ3-O 3.45Å; T64-F81 PolarHBondContact N-O 3.14Å; T64-F81 WeakPolarHBondContact O-CB 3.36Å; T64-F81 PolarHBondContact O-N 3.22Å; T64-K83 HydrophobicContact CG2-CD 3.77Å; T64-K83 HydrophobicContact CG2-CG 4.19Å
65K79.9Confident69.5Low109 Ų10997 Ų9747%0.47450%0.496SS..PPolyproline II helixtrans-60142.7176.8-156.6174.7-159174.30110.5E52E52-K65 VanDerWaalsContact CB-NZ 3.31Å; E52-K65 PolarHBondContact O-NZ 3.27Å; E52-K65 WeakPolarHBondContact OE2-CE 3.47Å; E52-K65 IonicContact OE2-NZ 2.96Å; E52-K65 PolarHBondContact OE2-NZ 3.16Å
66C84.6Confident72.1Confident11 Ų1194.3 Ų94.37%0.07447%0.474CS..PPolyproline II helixtrans-66.9136.9-178.2-69.10000112.2C79 R80C66-C79 HydrophobicContact CB-CB 3.85Å; C66-C79 WeakPolarHBondContact CB-SG 3.4Å; C66-C79 WeakPolarHBondContact SG-CB 3.36Å; C66-C79 CovalentContact SG-SG 2.02Å; C66-C79 PolarHBondContact SG-SG 3.43Å; C66-R80 VanDerWaalsContact SG-C 3.52Å; C66-R80 PolarHBondContact SG-N 2.78Å
67P80.7Confident74.4Confident51 Ų5186.8 Ų86.833%0.33145%0.445SS..PPolyproline II helixtrans-55.7156.9169.1-2131000111.4E69 F70 R71 F81P67-E69 PolarHBondContact O-N 2.87Å; P67-E69 VanDerWaalsContact O-N 3.13Å; P67-F70 HydrophobicContact CB-CD2 4.41Å; P67-F70 HydrophobicContact CG-CD2 4.31Å; P67-F70 PolarHBondContact O-N 3.05Å; P67-R71 PolarHBondContact O-N 3.21Å; P67-F81 HydrophobicContact CG-CD2 4.21Å; P67-F81 HydrophobicContact CG-CE2 4.23Å
68K78Confident76.3Confident172 Ų17287.4 Ų87.475%0.74845%0.446SS*.G310 helixtrans-55.1-34.4-178.2-69.9-176179.5179.90112.9F70 R71K68-F70 VanDerWaalsContact C-N 3.28Å; K68-F70 PolarHBondContact O-N 2.79Å; K68-R71 PolarHBondContact O-N 3.14Å
69E76.9Confident78.5Confident170 Ų17078.8 Ų78.879%0.79441%0.411SS*.G310 helixtrans-61.4-31.4178.6-63.6171.4-166.100113.6P67P67-E69 PolarHBondContact O-N 2.87Å; P67-E69 VanDerWaalsContact O-N 3.13Å
70F78.8Confident80.3Confident72 Ų7278.1 Ų78.132%0.31641%0.409SS..G310 helixtrans-109.110.2-175.2-61.4-70.7000113.7P67 K68 N72 Y73 P88P67-F70 HydrophobicContact CB-CD2 4.41Å; P67-F70 HydrophobicContact CG-CD2 4.31Å; P67-F70 PolarHBondContact O-N 3.05Å; K68-F70 VanDerWaalsContact C-N 3.28Å; K68-F70 PolarHBondContact O-N 2.79Å; F70-N72 PolarHBondContact O-N 3.41Å; F70-Y73 VanDerWaalsContact O-CB 3.24Å; F70-Y73 WeakPolarHBondContact O-CB 3.48Å; F70-Y73 PolarHBondContact O-N 3.22Å; F70-P88 HydrophobicContact CB-CB 4.31Å; F70-P88 HydrophobicContact CD1-CB 4.5Å; F70-P88 HydrophobicContact CD1-CG 4.02Å; F70-P88 HydrophobicContact CE1-CG 4.37Å; F70-P88 HydrophobicContact CG-CB 4.34Å; F70-P88 HydrophobicContact CG-CG 4.29Å
71R74.4Confident81.7Confident103 Ų10375.5 Ų75.539%0.38939%0.388SS..THydrogen-bonded Turntrans-58.5-33.5-179.2-77.8178.8177.4-138.2-12.3113.4E52 P67 K68E52-R71 VanDerWaalsContact CD-NH2 3.25Å; E52-R71 IonicContact OE1-CZ 2.66Å; E52-R71 IonicContact OE1-NH1 2.85Å; E52-R71 PolarHBondContact OE1-NH1 2.84Å; E52-R71 IonicContact OE1-NH2 3.73Å; E52-R71 PolarHBondContact OE1-NH2 3.46Å; E52-R71 IonicContact OE2-CZ 2.9Å; E52-R71 IonicContact OE2-NH1 3.55Å; E52-R71 IonicContact OE2-NH2 2.6Å; E52-R71 PolarHBondContact OE2-NH2 2.69Å; P67-R71 PolarHBondContact O-N 3.21Å; K68-R71 PolarHBondContact O-N 3.14Å
72N83.4Confident82.9Confident146 Ų14673.1 Ų73.178%0.78136%0.359SS*.THydrogen-bonded Turntrans-103.217.6179.7-57.5-29.4000112.4F70F70-N72 PolarHBondContact O-N 3.41Å
73Y87Confident83.4Confident64 Ų6473.9 Ų73.925%0.25136%0.361SS..SBendtrans-68.4-43.8178.2178.8-103.3000111.3F70 P88 C90 R100F70-Y73 VanDerWaalsContact O-CB 3.24Å; F70-Y73 WeakPolarHBondContact O-CB 3.48Å; F70-Y73 PolarHBondContact O-N 3.22Å; Y73-P88 HydrophobicContact CD1-CB 4.05Å; Y73-P88 HydrophobicContact CD1-CG 4.12Å; Y73-P88 HydrophobicContact CE1-CB 4.37Å; Y73-P88 HydrophobicContact CE1-CG 4.13Å; Y73-P88 HydrophobicContact CG-CB 4.49Å; Y73-P88 HydrophobicContact CG-CG 4.36Å; Y73-C90 VanDerWaalsContact CD1-SG 3.57Å; Y73-R100 HydrophobicContact CD1-CG 4.22Å; Y73-R100 HydrophobicContact CD2-CG 4.3Å; Y73-R100 HydrophobicContact CE1-CG 3.64Å; Y73-R100 HydrophobicContact CE2-CG 3.75Å; Y73-R100 PolarHBondContact O-NE 2.86Å; Y73-R100 PolarHBondContact O-NH2 2.84Å
74C90.6Very high83.5Confident15 Ų1578.5 Ų78.510%0.10138%0.383CS..  trans-82128.9174.7-50.10000110C79 C90C74-C79 VanDerWaalsContact SG-CA 3.6Å; C74-C90 WeakPolarHBondContact CA-SG 3.48Å; C74-C90 HydrophobicContact CB-CB 3.86Å; C74-C90 WeakPolarHBondContact CB-SG 3.48Å; C74-C90 WeakPolarHBondContact SG-CA 3.16Å; C74-C90 WeakPolarHBondContact SG-CB 3.45Å; C74-C90 CovalentContact SG-SG 2.03Å; C74-C90 PolarHBondContact SG-SG 2.83Å
75I91Very high83.1Confident89 Ų8983.6 Ų83.646%0.45640%0.404SS..SBendtrans-82.8-55.2179.8-51-175.7000109.8R100 E102I75-R100 PolarHBondContact N-O 3.48Å; I75-E102 HydrophobicContact CD1-CB 3.7Å
76H89.9Confident83Confident69 Ų6984.3 Ų84.332%0.31941%0.413SS..SBendtrans-121.772.6-177.7-63.2-67.3000111.6E93 Y96 C101H76-E93 PolarHBondContact O-N 3.45Å; H76-E93 VanDerWaalsContact O-N 3.13Å; H76-Y96 HydrophobicContact CB-CD1 3.64Å; H76-Y96 HydrophobicContact CB-CD2 3.89Å; H76-Y96 HydrophobicContact CB-CE1 3.91Å; H76-Y96 HydrophobicContact CB-CE2 4.15Å; H76-Y96 HydrophobicContact CB-CG 3.62Å; H76-Y96 AromaticContact CD2-CD1 3.48Å; H76-Y96 VanDerWaalsContact CD2-CD1 3.48Å; H76-Y96 WeakPolarHBondContact CD2-CD1 3.23Å; H76-Y96 AromaticContact CD2-CE1 3.16Å; H76-Y96 WeakPolarHBondContact CD2-CE1 3.37Å; H76-Y96 AromaticContact CD2-CZ 3.85Å; H76-Y96 AromaticContact CG-CD1 3.67Å; H76-Y96 AromaticContact CG-CE1 3.45Å; H76-Y96 VanDerWaalsContact CG-CE1 3.45Å; H76-Y96 AromaticContact CG-CZ 3.73Å; H76-Y96 AromaticContact ND1-CZ 3.94Å; H76-Y96 AromaticContact NE2-CE1 3.65Å; H76-C101 HydrophobicContact CB-CB 4.29Å; H76-C101 VanDerWaalsContact O-CB 3.25Å; H76-C101 WeakPolarHBondContact O-CB 3.19Å
77G89Confident82.8Confident23 Ų2386.7 Ų86.724%0.23743%0.427CS..EExtended strand (participates in β ladder)trans165.8-168.8175.800000114.9R91G77-R91 WeakPolarHBondContact CA-O 3.28Å
78S88.3Confident83.1Confident69 Ų6985.7 Ų85.748%0.48342%0.421SS..EExtended strand (participates in β ladder)trans-100.1133-179.5-58.80000111.7R91S78-R91 PolarHBondContact N-O 2.85Å; S78-R91 PolarHBondContact O-N 3.38Å
79C88.1Confident83.5Confident27 Ų2779 Ų7918%0.18240%0.396CS..EExtended strand (participates in β ladder)trans-82.5136.5177.9-170.90000112.2C66 C74C66-C79 HydrophobicContact CB-CB 3.85Å; C66-C79 WeakPolarHBondContact CB-SG 3.4Å; C66-C79 WeakPolarHBondContact SG-CB 3.36Å; C66-C79 CovalentContact SG-SG 2.02Å; C66-C79 PolarHBondContact SG-SG 3.43Å; C74-C79 VanDerWaalsContact SG-CA 3.6Å
80R88.2Confident84.2Confident93 Ų9371.6 Ų71.635%0.35136%0.363SS..EExtended strand (participates in β ladder)trans-131.9137.9170.956.1171.6-173.6179.6-0.4111W59 C66 S89W59-R80 HydrophobicContact CH2-CB 3.71Å; W59-R80 HydrophobicContact CZ3-CB 3.53Å; C66-R80 VanDerWaalsContact SG-C 3.52Å; C66-R80 PolarHBondContact SG-N 2.78Å; R80-S89 WeakPolarHBondContact CG-O 3.41Å; R80-S89 PolarHBondContact N-O 3.44Å; R80-S89 PolarHBondContact NE-OG 2.84Å; R80-S89 PolarHBondContact NH2-OG 2.95Å; R80-S89 PolarHBondContact O-N 3.42Å
81F84.9Confident84.7Confident19 Ų1976.8 Ų76.88%0.08338%0.38CS..EExtended strand (participates in β ladder)trans-103.5127.1-179.6-164.1-100.4000110.9F63 T64 P67 N86 P88F63-F81 CarbonylContact C-O 3.56Å; F63-F81 WeakPolarHBondContact CA-O 3.46Å; T64-F81 PolarHBondContact N-O 3.14Å; T64-F81 WeakPolarHBondContact O-CB 3.36Å; T64-F81 PolarHBondContact O-N 3.22Å; P67-F81 HydrophobicContact CG-CD2 4.21Å; P67-F81 HydrophobicContact CG-CE2 4.23Å; F81-N86 VanDerWaalsContact CE1-OD1 3.29Å; F81-N86 WeakPolarHBondContact CE1-OD1 3.34Å; F81-N86 HydrophobicContact CZ-CB 4.39Å; F81-N86 WeakPolarHBondContact CZ-O 3.13Å; F81-N86 WeakPolarHBondContact CZ-OD1 3.38Å; F81-P88 HydrophobicContact CD2-CB 4.46Å
82V85.1Confident85.5Confident24 Ų2474 Ų7415%0.14538%0.376CS..EExtended strand (participates in β ladder)trans-91.5106.1179.2-170.70000108.4F63 E84 Q85 N86 T87F63-V82 HydrophobicContact CD1-CG2 3.97Å; F63-V82 HydrophobicContact CE1-CG2 3.77Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 3.43Å; V82-Q85 PolarHBondContact O-N 3.46Å; V82-N86 WeakPolarHBondContact O-CA 3.12Å; V82-N86 PolarHBondContact O-N 2.9Å; V82-T87 PolarHBondContact N-O 3.39Å; V82-T87 PolarHBondContact O-N 3.36Å
83K77.6Confident85.6Confident129 Ų12972.5 Ų72.556%0.56136%0.364SS*.THydrogen-bonded Turntrans-61.2-37.3-175.2-82.9-177.7160.4170.10113.2H62 T64 Q85 N86H62-K83 PolarHBondContact O-N 3.14Å; T64-K83 HydrophobicContact CG2-CD 3.77Å; T64-K83 HydrophobicContact CG2-CG 4.19Å; K83-Q85 VanDerWaalsContact C-N 3.31Å; K83-Q85 PolarHBondContact O-N 3.28Å; K83-N86 PolarHBondContact O-N 2.84Å
84E76.3Confident85.5Confident154 Ų15477.9 Ų77.972%0.7239%0.389SS*.THydrogen-bonded Turntrans-70.4-27.4-172.6-165.6163.6-169.900113.3H62 V82H62-E84 IonicContact ND1-OE2 3.99Å; V82-E84 VanDerWaalsContact C-N 3.28Å; V82-E84 PolarHBondContact O-N 3.43Å
85Q72.4Confident85.1Confident146 Ų14677.8 Ų77.868%0.68239%0.39SS*.THydrogen-bonded Turntrans-112.9-1.4178.9-66.8-178.333.300112.9V82 K83 T87V82-Q85 PolarHBondContact O-N 3.46Å; K83-Q85 VanDerWaalsContact C-N 3.31Å; K83-Q85 PolarHBondContact O-N 3.28Å; Q85-T87 WeakPolarHBondContact O-CG2 3.44Å; Q85-T87 PolarHBondContact O-N 2.83Å
86N76.9Confident84.9Confident125 Ų12576.9 Ų76.967%0.66838%0.381SS*.THydrogen-bonded Turntrans53.433.7-176.2-144.828.1000113.5F81 V82 K83F81-N86 VanDerWaalsContact CE1-OD1 3.29Å; F81-N86 WeakPolarHBondContact CE1-OD1 3.34Å; F81-N86 HydrophobicContact CZ-CB 4.39Å; F81-N86 WeakPolarHBondContact CZ-O 3.13Å; F81-N86 WeakPolarHBondContact CZ-OD1 3.38Å; V82-N86 WeakPolarHBondContact O-CA 3.12Å; V82-N86 PolarHBondContact O-N 2.9Å; K83-N86 PolarHBondContact O-N 2.84Å
87T81.9Confident84.8Confident61 Ų6177.3 Ų77.337%0.37439%0.385SS..EExtended strand (participates in β ladder)trans-119.5143.4-175.648.90000112.8V82 Q85V82-T87 PolarHBondContact N-O 3.39Å; V82-T87 PolarHBondContact O-N 3.36Å; Q85-T87 WeakPolarHBondContact O-CG2 3.44Å; Q85-T87 PolarHBondContact O-N 2.83Å
88P85.7Confident84.8Confident29 Ų2978 Ų7819%0.18839%0.392CS..EExtended strand (participates in β ladder)trans-77.4143.7171.432.5-33.8000111F70 Y73 F81F70-P88 HydrophobicContact CB-CB 4.31Å; F70-P88 HydrophobicContact CD1-CB 4.5Å; F70-P88 HydrophobicContact CD1-CG 4.02Å; F70-P88 HydrophobicContact CE1-CG 4.37Å; F70-P88 HydrophobicContact CG-CB 4.34Å; F70-P88 HydrophobicContact CG-CG 4.29Å; Y73-P88 HydrophobicContact CD1-CB 4.05Å; Y73-P88 HydrophobicContact CD1-CG 4.12Å; Y73-P88 HydrophobicContact CE1-CB 4.37Å; Y73-P88 HydrophobicContact CE1-CG 4.13Å; Y73-P88 HydrophobicContact CG-CB 4.49Å; Y73-P88 HydrophobicContact CG-CG 4.36Å; F81-P88 HydrophobicContact CD2-CB 4.46Å
89S87.8Confident84.7Confident32 Ų3278.6 Ų78.622%0.22440%0.396CS..EExtended strand (participates in β ladder)trans-133.4142.8174.41730000109.5R80R80-S89 WeakPolarHBondContact CG-O 3.41Å; R80-S89 PolarHBondContact N-O 3.44Å; R80-S89 PolarHBondContact NE-OG 2.84Å; R80-S89 PolarHBondContact NH2-OG 2.95Å; R80-S89 PolarHBondContact O-N 3.42Å
90C90.4Very high84.9Confident15 Ų1581.4 Ų81.410%0.10140%0.403CS..EExtended strand (participates in β ladder)trans-103.5139.6179.2-61.80000111.3Y73 C74 S99 C101Y73-C90 VanDerWaalsContact CD1-SG 3.57Å; C74-C90 WeakPolarHBondContact CA-SG 3.48Å; C74-C90 HydrophobicContact CB-CB 3.86Å; C74-C90 WeakPolarHBondContact CB-SG 3.48Å; C74-C90 WeakPolarHBondContact SG-CA 3.16Å; C74-C90 WeakPolarHBondContact SG-CB 3.45Å; C74-C90 CovalentContact SG-SG 2.03Å; C74-C90 PolarHBondContact SG-SG 2.83Å; C90-S99 WeakPolarHBondContact CB-O 3.4Å; C90-S99 PolarHBondContact SG-O 2.76Å; C90-C101 VanDerWaalsContact CB-SG 3.53Å
91R89.6Confident85Confident180 Ų18077 Ų7768%0.67939%0.386SS*.EExtended strand (participates in β ladder)trans-102.1103.3163.4-176.8179.3-179.4-109.61.3107.8G77 S78G77-R91 WeakPolarHBondContact CA-O 3.28Å; S78-R91 PolarHBondContact N-O 2.85Å; S78-R91 PolarHBondContact O-N 3.38Å
92C90.3Very high85.2Confident44 Ų4479.6 Ų79.630%0.29740%0.399SS..EExtended strand (participates in β ladder)trans-69.6148.6-176.2-53.50000112.8Y96 C101C92-Y96 WeakPolarHBondContact CB-O 3.24Å; C92-C101 WeakPolarHBondContact CA-SG 3.31Å; C92-C101 HydrophobicContact CB-CB 3.67Å; C92-C101 WeakPolarHBondContact CB-SG 3.16Å; C92-C101 PolarHBondContact N-SG 3.34Å; C92-C101 VanDerWaalsContact SG-CA 3.51Å; C92-C101 WeakPolarHBondContact SG-CB 3.23Å; C92-C101 CovalentContact SG-SG 2.03Å; C92-C101 PolarHBondContact SG-SG 3.28Å
93E87.1Confident85.2Confident115 Ų11585 Ų8554%0.53742%0.418SS..PPolyproline II helixtrans-71.8164.4167.7-78.2173-164.300111.5H76 G95 Y96H76-E93 PolarHBondContact O-N 3.45Å; H76-E93 VanDerWaalsContact O-N 3.13Å; E93-G95 PolarHBondContact O-N 3.5Å; E93-Y96 HydrophobicContact CB-CD2 4.38Å; E93-Y96 PolarHBondContact O-N 2.84Å; E93-Y96 VanDerWaalsContact O-N 3.14Å
94K83.3Confident85.5Confident178 Ų17882 Ų8277%0.77441%0.409SS*.THydrogen-bonded Turntrans-59.5131.3-178.6-69.9-176.5-179.7179.90110.1W108K94-W108 HydrophobicContact CD-CH2 4.48Å
95G82.3Confident85.7Confident12 Ų1276.8 Ų76.812%0.12439%0.387CS..THydrogen-bonded Turntrans81.79.6-179.800000114.8E93 V104 D105E93-G95 PolarHBondContact O-N 3.5Å; G95-V104 CarbonylContact O-C 3.5Å; G95-V104 WeakPolarHBondContact O-CA 3.45Å; G95-D105 PolarHBondContact O-N 3.45Å
96Y87.5Confident85.5Confident71 Ų7175.5 Ų75.528%0.27838%0.384SS..EExtended strand (participates in β ladder)trans-121.2139.6171-69-89.8000111.3H76 C92 E93 Y103 V104H76-Y96 HydrophobicContact CB-CD1 3.64Å; H76-Y96 HydrophobicContact CB-CD2 3.89Å; H76-Y96 HydrophobicContact CB-CE1 3.91Å; H76-Y96 HydrophobicContact CB-CE2 4.15Å; H76-Y96 HydrophobicContact CB-CG 3.62Å; H76-Y96 AromaticContact CD2-CD1 3.48Å; H76-Y96 VanDerWaalsContact CD2-CD1 3.48Å; H76-Y96 WeakPolarHBondContact CD2-CD1 3.23Å; H76-Y96 AromaticContact CD2-CE1 3.16Å; H76-Y96 WeakPolarHBondContact CD2-CE1 3.37Å; H76-Y96 AromaticContact CD2-CZ 3.85Å; H76-Y96 AromaticContact CG-CD1 3.67Å; H76-Y96 AromaticContact CG-CE1 3.45Å; H76-Y96 VanDerWaalsContact CG-CE1 3.45Å; H76-Y96 AromaticContact CG-CZ 3.73Å; H76-Y96 AromaticContact ND1-CZ 3.94Å; H76-Y96 AromaticContact NE2-CE1 3.65Å; C92-Y96 WeakPolarHBondContact CB-O 3.24Å; E93-Y96 HydrophobicContact CB-CD2 4.38Å; E93-Y96 PolarHBondContact O-N 2.84Å; E93-Y96 VanDerWaalsContact O-N 3.14Å; Y96-Y103 CarbonylContact C-O 3.56Å; Y96-Y103 VanDerWaalsContact CA-O 3.28Å; Y96-Y103 WeakPolarHBondContact CA-O 3.31Å; Y96-V104 HydrophobicContact CD1-CG2 4.07Å; Y96-V104 HydrophobicContact CE1-CG2 3.66Å
97I87.4Confident84.9Confident78 Ų7872.6 Ų72.640%0.438%0.377SS..EExtended strand (participates in β ladder)trans-136.5167.4-177.959.5169.3000111.4C101 E102 Y103 D105I97-C101 CarbonylContact O-C 3.54Å; I97-C101 WeakPolarHBondContact O-CA 3.21Å; I97-E102 PolarHBondContact O-N 3.4Å; I97-Y103 PolarHBondContact N-O 2.85Å; I97-Y103 PolarHBondContact O-N 3.19Å; I97-D105 HydrophobicContact CD1-CB 4.36Å; I97-D105 HydrophobicContact CG1-CB 4.24Å; I97-D105 HydrophobicContact CG2-CB 3.83Å
98G88.9Confident83.9Confident37 Ų3775.1 Ų75.138%0.38138%0.38SS..SBendtrans107.2167.5-177.400000112.9R100 C101G98-R100 PolarHBondContact O-N 2.82Å; G98-C101 PolarHBondContact O-N 2.99Å
99S87.9Confident82.6Confident81 Ų8181.1 Ų81.157%0.56640%0.399SS*.THydrogen-bonded Turntrans-60.6-32.7-177.753.40000113C90C90-S99 WeakPolarHBondContact CB-O 3.4Å; C90-S99 PolarHBondContact SG-O 2.76Å
100R91.3Very high81.2Confident87 Ų8784.5 Ų84.533%0.32841%0.413SS..THydrogen-bonded Turntrans-110.37.1179-63.6179.369.4-170.9-2113.8Y73 I75 G98 E102Y73-R100 HydrophobicContact CD1-CG 4.22Å; Y73-R100 HydrophobicContact CD2-CG 4.3Å; Y73-R100 HydrophobicContact CE1-CG 3.64Å; Y73-R100 HydrophobicContact CE2-CG 3.75Å; Y73-R100 PolarHBondContact O-NE 2.86Å; Y73-R100 PolarHBondContact O-NH2 2.84Å; I75-R100 PolarHBondContact N-O 3.48Å; G98-R100 PolarHBondContact O-N 2.82Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.25Å
101C90.3Very high79.9Confident0 Ų085.3 Ų85.30%043%0.425CS..SBendtrans57.242.8-171.7-43.30000112H76 C90 C92 I97 G98H76-C101 HydrophobicContact CB-CB 4.29Å; H76-C101 VanDerWaalsContact O-CB 3.25Å; H76-C101 WeakPolarHBondContact O-CB 3.19Å; C90-C101 VanDerWaalsContact CB-SG 3.53Å; C92-C101 WeakPolarHBondContact CA-SG 3.31Å; C92-C101 HydrophobicContact CB-CB 3.67Å; C92-C101 WeakPolarHBondContact CB-SG 3.16Å; C92-C101 PolarHBondContact N-SG 3.34Å; C92-C101 VanDerWaalsContact SG-CA 3.51Å; C92-C101 WeakPolarHBondContact SG-CB 3.23Å; C92-C101 CovalentContact SG-SG 2.03Å; C92-C101 PolarHBondContact SG-SG 3.28Å; I97-C101 CarbonylContact O-C 3.54Å; I97-C101 WeakPolarHBondContact O-CA 3.21Å; G98-C101 PolarHBondContact O-N 2.99Å
102E88.8Confident78.7Confident73 Ų7380 Ų8034%0.34141%0.41SS..  trans-90.3-21.1-174.367.3-166.7177.700113.2I75 I97 R100I75-E102 HydrophobicContact CD1-CB 3.7Å; I97-E102 PolarHBondContact O-N 3.4Å; R100-E102 VanDerWaalsContact C-N 3.28Å; R100-E102 PolarHBondContact O-N 3.25Å
103Y86.5Confident77.7Confident139 Ų13983 Ų8355%0.54542%0.419SS..EExtended strand (participates in β ladder)trans-102.8144.6179.9-53.3-70.8000110.7Y96 I97Y96-Y103 CarbonylContact C-O 3.56Å; Y96-Y103 VanDerWaalsContact CA-O 3.28Å; Y96-Y103 WeakPolarHBondContact CA-O 3.31Å; I97-Y103 PolarHBondContact N-O 2.85Å; I97-Y103 PolarHBondContact O-N 3.19Å
104V83.2Confident77.1Confident64 Ų6485.5 Ų85.539%0.38842%0.424SS..EExtended strand (participates in β ladder)trans-82.1131.6168.6177.80000108.3G95 Y96 L106G95-V104 CarbonylContact O-C 3.5Å; G95-V104 WeakPolarHBondContact O-CA 3.45Å; Y96-V104 HydrophobicContact CD1-CG2 4.07Å; Y96-V104 HydrophobicContact CE1-CG2 3.66Å; V104-L106 WeakPolarHBondContact O-CD1 3.22Å; V104-L106 PolarHBondContact O-N 2.9Å
105D80.8Confident76.8Confident45 Ų4583.4 Ų83.424%0.24142%0.417CS..  trans-72.898.3174.4-168.8-1000109.9G95 I97 A107 W108 R109G95-D105 PolarHBondContact O-N 3.45Å; I97-D105 HydrophobicContact CD1-CB 4.36Å; I97-D105 HydrophobicContact CG1-CB 4.24Å; I97-D105 HydrophobicContact CG2-CB 3.83Å; D105-A107 PolarHBondContact O-N 3.47Å; D105-A107 WeakPolarHBondContact OD1-CA 3.39Å; D105-A107 WeakPolarHBondContact OD1-CB 3.13Å; D105-A107 PolarHBondContact OD1-N 2.77Å; D105-W108 HydrophobicContact CB-CB 4.04Å; D105-W108 WeakPolarHBondContact O-CB 3.12Å; D105-W108 PolarHBondContact O-N 3.25Å; D105-W108 VanDerWaalsContact O-N 3.14Å; D105-R109 PolarHBondContact O-N 2.8Å
106L68.3Low76.7Confident119 Ų11987.6 Ų87.662%0.62344%0.435SS*.Hα-helixtrans-61.4-26.7173-88.172.3000111.2V104 W108 R109 I110V104-L106 WeakPolarHBondContact O-CD1 3.22Å; V104-L106 PolarHBondContact O-N 2.9Å; L106-W108 VanDerWaalsContact C-N 3.31Å; L106-W108 PolarHBondContact O-N 2.9Å; L106-R109 WeakPolarHBondContact O-CB 3.24Å; L106-R109 PolarHBondContact O-N 2.81Å; L106-I110 HydrophobicContact CB-CD1 4.33Å; L106-I110 WeakPolarHBondContact O-CB 3.15Å; L106-I110 VanDerWaalsContact O-CD1 3.31Å; L106-I110 WeakPolarHBondContact O-CD1 3.39Å; L106-I110 PolarHBondContact O-N 3.32Å
107A63.3Low76.5Confident64 Ų6489.1 Ų89.153%0.52945%0.447SS..Hα-helixtrans-68-31.8176.500000111.9D105 I110 G111D105-A107 PolarHBondContact O-N 3.47Å; D105-A107 WeakPolarHBondContact OD1-CA 3.39Å; D105-A107 WeakPolarHBondContact OD1-CB 3.13Å; D105-A107 PolarHBondContact OD1-N 2.77Å; A107-I110 PolarHBondContact O-N 3.32Å; A107-G111 PolarHBondContact O-N 2.86Å
108W61.3Low76.5Confident115 Ų11588.8 Ų88.844%0.43645%0.445SS..Hα-helixtrans-63.3-46.6170.2-178.6-95.8000111.2K94 D105 L106 I110 G111 D112K94-W108 HydrophobicContact CD-CH2 4.48Å; D105-W108 HydrophobicContact CB-CB 4.04Å; D105-W108 WeakPolarHBondContact O-CB 3.12Å; D105-W108 PolarHBondContact O-N 3.25Å; D105-W108 VanDerWaalsContact O-N 3.14Å; L106-W108 VanDerWaalsContact C-N 3.31Å; L106-W108 PolarHBondContact O-N 2.9Å; W108-I110 VanDerWaalsContact C-N 3.35Å; W108-I110 PolarHBondContact O-N 3.41Å; W108-G111 PolarHBondContact O-N 3.5Å; W108-D112 PolarHBondContact NE1-OD2 3.39Å; W108-D112 PolarHBondContact O-N 2.94Å
109R58.5Low76.4Confident155 Ų15589.7 Ų89.759%0.58545%0.45SS*.Hα-helixtrans-59.2-44.7174.4-76.5-105.3-168-106.50.9111.7D105 L106 Q113D105-R109 PolarHBondContact O-N 2.8Å; L106-R109 WeakPolarHBondContact O-CB 3.24Å; L106-R109 PolarHBondContact O-N 2.81Å; R109-Q113 WeakPolarHBondContact O-CB 3.22Å; R109-Q113 WeakPolarHBondContact O-CG 3.22Å; R109-Q113 PolarHBondContact O-N 3.3Å
110I59.4Low76.4Confident102 Ų10289.5 Ų89.552%0.52345%0.447SS..Hα-helixtrans-73.3-34.4-178.6-84.7136000112.6L106 A107 W108 R114L106-I110 HydrophobicContact CB-CD1 4.33Å; L106-I110 WeakPolarHBondContact O-CB 3.15Å; L106-I110 VanDerWaalsContact O-CD1 3.31Å; L106-I110 WeakPolarHBondContact O-CD1 3.39Å; L106-I110 PolarHBondContact O-N 3.32Å; A107-I110 PolarHBondContact O-N 3.32Å; W108-I110 VanDerWaalsContact C-N 3.35Å; W108-I110 PolarHBondContact O-N 3.41Å; I110-R114 WeakPolarHBondContact O-CB 3.35Å; I110-R114 PolarHBondContact O-N 2.88Å
111G62.4Low76.5Confident33 Ų3389.2 Ų89.234%0.3446%0.455SS..Hα-helixtrans-64.1-47.4177.100000112.1A107 W108 Q115A107-G111 PolarHBondContact O-N 2.86Å; W108-G111 PolarHBondContact O-N 3.5Å; G111-Q115 PolarHBondContact O-N 2.86Å
112D64.4Low76.7Confident68 Ų6893.9 Ų93.936%0.36448%0.479SS..Hα-helixtrans-72.8-44.1177.2-75-12.7000111.3W108 R114 Q115 I116W108-D112 PolarHBondContact NE1-OD2 3.39Å; W108-D112 PolarHBondContact O-N 2.94Å; D112-R114 PolarHBondContact O-N 3.42Å; D112-Q115 PolarHBondContact O-N 3.35Å; D112-I116 WeakPolarHBondContact O-CD1 3.2Å; D112-I116 WeakPolarHBondContact O-CG1 3.33Å; D112-I116 PolarHBondContact O-N 3.41Å
113Q68.5Low76.6Confident107 Ų10793.3 Ų93.350%0.549%0.487SS..Hα-helixtrans-64.2-38.1179.7-76.1-177.2-20.600112.6R109 Q115 I116 I117R109-Q113 WeakPolarHBondContact O-CB 3.22Å; R109-Q113 WeakPolarHBondContact O-CG 3.22Å; R109-Q113 PolarHBondContact O-N 3.3Å; Q113-Q115 VanDerWaalsContact C-N 3.34Å; Q113-Q115 PolarHBondContact O-N 3.46Å; Q113-I116 PolarHBondContact O-N 2.94Å; Q113-I117 WeakPolarHBondContact O-CB 3.4Å; Q113-I117 WeakPolarHBondContact O-CD1 3.47Å; Q113-I117 WeakPolarHBondContact O-CG1 3.38Å; Q113-I117 PolarHBondContact O-N 3.48Å
114R74.1Confident76.7Confident167 Ų16789.5 Ų89.563%0.6348%0.484SS*.Hα-helixtrans-62.4-42.6177.3-176.3-179.6-179.5-80.1-1.6111.5I110 D112 I118I110-R114 WeakPolarHBondContact O-CB 3.35Å; I110-R114 PolarHBondContact O-N 2.88Å; D112-R114 PolarHBondContact O-N 3.42Å; R114-I118 HydrophobicContact CG-CD1 3.93Å; R114-I118 VanDerWaalsContact NH1-CD1 3.35Å; R114-I118 WeakPolarHBondContact O-CD1 3.29Å; R114-I118 WeakPolarHBondContact O-CG1 3.31Å; R114-I118 PolarHBondContact O-N 2.93Å
115Q78.1Confident77.3Confident134 Ų13491.1 Ų91.163%0.62649%0.49SS*.Hα-helixtrans-66.8-42177.6-69.5-169.549.700111.8G111 D112 Q113 I118 A119G111-Q115 PolarHBondContact O-N 2.86Å; D112-Q115 PolarHBondContact O-N 3.35Å; Q113-Q115 VanDerWaalsContact C-N 3.34Å; Q113-Q115 PolarHBondContact O-N 3.46Å; Q115-I118 PolarHBondContact O-N 3.3Å; Q115-A119 WeakPolarHBondContact O-CB 3.38Å; Q115-A119 PolarHBondContact O-N 3.43Å
116I79.2Confident77.8Confident101 Ų10192.6 Ų92.652%0.51850%0.5SS..Hα-helixtrans-61-47176.1-66.6165.1000110.6D112 Q113 I118 A119 C120D112-I116 WeakPolarHBondContact O-CD1 3.2Å; D112-I116 WeakPolarHBondContact O-CG1 3.33Å; D112-I116 PolarHBondContact O-N 3.41Å; Q113-I116 PolarHBondContact O-N 2.94Å; I116-I118 PolarHBondContact O-N 3.24Å; I116-A119 PolarHBondContact O-N 3.35Å; I116-C120 WeakPolarHBondContact O-CB 3.2Å; I116-C120 PolarHBondContact O-N 3.38Å; I116-C120 PolarHBondContact O-SG 3.31Å
117I83.6Confident78.8Confident103 Ų10392.7 Ų92.753%0.52850%0.496SS..Hα-helixtrans-60.2-45.6178.5-69.1163.1000110.6Q113 A119 C120 V121Q113-I117 WeakPolarHBondContact O-CB 3.4Å; Q113-I117 WeakPolarHBondContact O-CD1 3.47Å; Q113-I117 WeakPolarHBondContact O-CG1 3.38Å; Q113-I117 PolarHBondContact O-N 3.48Å; I117-A119 PolarHBondContact O-N 2.93Å; I117-C120 PolarHBondContact O-N 2.85Å; I117-V121 HydrophobicContact CG2-CG2 4.41Å; I117-V121 VanDerWaalsContact O-CG2 3.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 3.1Å
118I87.7Confident80Confident70 Ų7094.1 Ų94.136%0.35949%0.494SS..Hα-helixtrans-61-45.9177.8-68.7164.7000110.7R114 Q115 I116 C120 V121 I122R114-I118 HydrophobicContact CG-CD1 3.93Å; R114-I118 VanDerWaalsContact NH1-CD1 3.35Å; R114-I118 WeakPolarHBondContact O-CD1 3.29Å; R114-I118 WeakPolarHBondContact O-CG1 3.31Å; R114-I118 PolarHBondContact O-N 2.93Å; Q115-I118 PolarHBondContact O-N 3.3Å; I116-I118 PolarHBondContact O-N 3.24Å; I118-C120 PolarHBondContact O-N 3.31Å; I118-V121 PolarHBondContact O-N 2.99Å; I118-I122 HydrophobicContact CG2-CD1 3.78Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 VanDerWaalsContact O-CG1 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.43Å; I118-I122 PolarHBondContact O-N 3.29Å
119A86.4Confident81.5Confident57 Ų5793.3 Ų93.347%0.47150%0.498SS..Hα-helixtrans-60.8-43.6177.500000111.9Q115 I116 I117 I122 A123Q115-A119 WeakPolarHBondContact O-CB 3.38Å; Q115-A119 PolarHBondContact O-N 3.43Å; I116-A119 PolarHBondContact O-N 3.35Å; I117-A119 PolarHBondContact O-N 2.93Å; A119-I122 PolarHBondContact O-N 3.04Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 3.02Å
120C87.8Confident82.9Confident77 Ų7790.9 Ų90.952%0.5250%0.496SS..Hα-helixtrans-61.6-43.5175.9-70.70000112.3I116 I117 I118 A123 A124I116-C120 WeakPolarHBondContact O-CB 3.2Å; I116-C120 PolarHBondContact O-N 3.38Å; I116-C120 PolarHBondContact O-SG 3.31Å; I117-C120 PolarHBondContact O-N 2.85Å; I118-C120 PolarHBondContact O-N 3.31Å; C120-A123 PolarHBondContact O-N 3.3Å; C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 2.93Å
121V93.2Very high84.1Confident80 Ų8089 Ų8949%0.48549%0.486SS..Hα-helixtrans-63.5-45.2178.3170.50000110.9I117 I118 A123 A124 L125I117-V121 HydrophobicContact CG2-CG2 4.41Å; I117-V121 VanDerWaalsContact O-CG2 3.29Å; I117-V121 WeakPolarHBondContact O-CG2 3.39Å; I117-V121 PolarHBondContact O-N 3.1Å; I118-V121 PolarHBondContact O-N 2.99Å; V121-A123 PolarHBondContact O-N 3.28Å; V121-A124 PolarHBondContact O-N 3.44Å; V121-L125 HydrophobicContact CG1-CD1 4.03Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.47Å
122I95Very high85.2Confident98 Ų9891.8 Ų91.850%0.50349%0.493SS..Hα-helixtrans-61.3-46.7177-66.7166.9000110.5I118 A119 A124 L125 V126I118-I122 HydrophobicContact CG2-CD1 3.78Å; I118-I122 HydrophobicContact CG2-CG1 4.48Å; I118-I122 VanDerWaalsContact O-CG1 3.31Å; I118-I122 WeakPolarHBondContact O-CG1 3.43Å; I118-I122 PolarHBondContact O-N 3.29Å; A119-I122 PolarHBondContact O-N 3.04Å; I122-A124 VanDerWaalsContact C-N 3.34Å; I122-A124 PolarHBondContact O-N 3.29Å; I122-L125 PolarHBondContact O-N 2.95Å; I122-V126 HydrophobicContact CG2-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CG2 3.33Å; I122-V126 PolarHBondContact O-N 3.41Å
123A88Confident86.2Confident61 Ų6192.6 Ų92.650%0.50450%0.496SS..Hα-helixtrans-60.1-43.1178.700000112.1A119 C120 V121 V126 F127A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 3.02Å; C120-A123 PolarHBondContact O-N 3.3Å; V121-A123 PolarHBondContact O-N 3.28Å; A123-V126 PolarHBondContact O-N 2.96Å; A123-F127 WeakPolarHBondContact O-CB 3.3Å; A123-F127 PolarHBondContact O-N 3Å
124A88.1Confident86.9Confident60 Ų6090 Ų9050%0.49648%0.483SS..Hα-helixtrans-63.7-42.4177.200000112.3C120 V121 I122 F127 L128C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 2.93Å; V121-A124 PolarHBondContact O-N 3.44Å; I122-A124 VanDerWaalsContact C-N 3.34Å; I122-A124 PolarHBondContact O-N 3.29Å; A124-F127 PolarHBondContact O-N 3.44Å; A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.24Å
125L95.2Very high87.2Confident97 Ų9787.2 Ų87.251%0.50848%0.48SS..Hα-helixtrans-62.9-46176.6-73.5169.7000111.8V121 I122 F127 L128 I129V121-L125 HydrophobicContact CG1-CD1 4.03Å; V121-L125 WeakPolarHBondContact O-CG 3.39Å; V121-L125 PolarHBondContact O-N 3.47Å; I122-L125 PolarHBondContact O-N 2.95Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-F127 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 3.49Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.38Å; L125-I129 PolarHBondContact O-N 3.47Å
126V92.4Very high87.4Confident76 Ų7684.4 Ų84.446%0.46147%0.474SS..Hα-helixtrans-60.9-45.5177.1172.40000110.6I122 A123 L128 I129 L130I122-V126 HydrophobicContact CG2-CG2 4.42Å; I122-V126 WeakPolarHBondContact O-CG2 3.33Å; I122-V126 PolarHBondContact O-N 3.41Å; A123-V126 PolarHBondContact O-N 2.96Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.17Å; V126-I129 PolarHBondContact O-N 3.39Å; V126-L130 HydrophobicContact CG1-CD1 4.13Å; V126-L130 HydrophobicContact CG1-CG 4.48Å; V126-L130 WeakPolarHBondContact O-CG 3.33Å; V126-L130 PolarHBondContact O-N 2.86Å
127F88.3Confident87.4Confident121 Ų12184.2 Ų84.253%0.53147%0.473SS..Hα-helixtrans-60.4-43.5177.4-174.4-106.2000112A123 A124 L125 I129 L130 L131A123-F127 WeakPolarHBondContact O-CB 3.3Å; A123-F127 PolarHBondContact O-N 3Å; A124-F127 PolarHBondContact O-N 3.44Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-F127 PolarHBondContact O-N 2.97Å; F127-I129 PolarHBondContact O-N 3.27Å; F127-L130 PolarHBondContact O-N 3Å; F127-L131 HydrophobicContact CD1-CD1 3.84Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CD2 4.39Å; F127-L131 HydrophobicContact CE1-CG 3.96Å; F127-L131 HydrophobicContact CZ-CD1 4.02Å; F127-L131 HydrophobicContact CZ-CD2 4.14Å; F127-L131 HydrophobicContact CZ-CG 4.16Å; F127-L131 WeakPolarHBondContact O-CG 3.33Å; F127-L131 PolarHBondContact O-N 3.5Å
128L88.3Confident87Confident95 Ų9581.3 Ų81.350%0.49746%0.461SS..Hα-helixtrans-61.4-43.9177.3-174.265.3000112A124 L125 V126 L130 L131 I132A124-L128 WeakPolarHBondContact O-CB 3.5Å; A124-L128 PolarHBondContact O-N 3.24Å; L125-L128 PolarHBondContact O-N 3.49Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-L128 PolarHBondContact O-N 3.17Å; L128-L130 PolarHBondContact O-N 3.18Å; L128-L131 PolarHBondContact O-N 3.37Å; L128-I132 HydrophobicContact CG-CD1 4.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 3.45Å
129I92.2Very high86.5Confident98 Ų9880.1 Ų80.150%0.50346%0.462SS..Hα-helixtrans-61.4-45.6177-67.9164.9000110.5L125 V126 F127 L131 I132 I133L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.38Å; L125-I129 PolarHBondContact O-N 3.47Å; V126-I129 PolarHBondContact O-N 3.39Å; F127-I129 PolarHBondContact O-N 3.27Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 3.28Å; I129-I132 PolarHBondContact O-N 2.77Å; I129-I133 HydrophobicContact CG2-CD1 3.83Å; I129-I133 HydrophobicContact CG2-CG1 4.48Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.25Å
130L87.7Confident85.9Confident103 Ų10382.9 Ų82.954%0.53947%0.465SS..Hα-helixtrans-61.6-40.6177.8-69.6175.8000111.9V126 F127 L128 I133 F134V126-L130 HydrophobicContact CG1-CD1 4.13Å; V126-L130 HydrophobicContact CG1-CG 4.48Å; V126-L130 WeakPolarHBondContact O-CG 3.33Å; V126-L130 PolarHBondContact O-N 2.86Å; F127-L130 PolarHBondContact O-N 3Å; L128-L130 PolarHBondContact O-N 3.18Å; L130-I133 PolarHBondContact O-N 2.9Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.25Å; L130-F134 PolarHBondContact O-N 3.33Å
131L85.6Confident85.2Confident63 Ų6386 Ų8633%0.3347%0.465SS..Hα-helixtrans-62.3-44174.9-72.9-177.2000112F127 L128 I129 F134 I135F127-L131 HydrophobicContact CD1-CD1 3.84Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.43Å; F127-L131 VanDerWaalsContact CE1-CD1 3.43Å; F127-L131 HydrophobicContact CE1-CD2 4.39Å; F127-L131 HydrophobicContact CE1-CG 3.96Å; F127-L131 HydrophobicContact CZ-CD1 4.02Å; F127-L131 HydrophobicContact CZ-CD2 4.14Å; F127-L131 HydrophobicContact CZ-CG 4.16Å; F127-L131 WeakPolarHBondContact O-CG 3.33Å; F127-L131 PolarHBondContact O-N 3.5Å; L128-L131 PolarHBondContact O-N 3.37Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 3.28Å; L131-F134 WeakPolarHBondContact O-CB 3.33Å; L131-F134 PolarHBondContact O-N 2.98Å; L131-I135 WeakPolarHBondContact O-CB 3.22Å; L131-I135 WeakPolarHBondContact O-CD1 3.35Å; L131-I135 VanDerWaalsContact O-CG1 3.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 3.29Å
132I84.9Confident84Confident92 Ų9286.9 Ų86.947%0.47246%0.464SS..Hα-helixtrans-62-48.1178.1-67.4165.5000110.4L128 I129 F134 I135 C136L128-I132 HydrophobicContact CG-CD1 4.22Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 3.45Å; I129-I132 PolarHBondContact O-N 2.77Å; I132-F134 VanDerWaalsContact C-N 3.28Å; I132-F134 PolarHBondContact O-N 3.23Å; I132-I135 PolarHBondContact O-N 3.49Å; I132-C136 WeakPolarHBondContact O-CB 3.47Å; I132-C136 PolarHBondContact O-N 3.29Å; I132-C136 PolarHBondContact O-SG 2.89Å; I132-C136 VanDerWaalsContact O-SG 3.33Å
133I85.4Confident82.9Confident84 Ų8489.4 Ų89.443%0.43147%0.472SS..Hα-helixtrans-58.4-44.5177.1-67.2168.4000110.1I129 L130 C136 I137I129-I133 HydrophobicContact CG2-CD1 3.83Å; I129-I133 HydrophobicContact CG2-CG1 4.48Å; I129-I133 WeakPolarHBondContact O-CG1 3.35Å; I129-I133 PolarHBondContact O-N 3.25Å; L130-I133 PolarHBondContact O-N 2.9Å; I133-C136 PolarHBondContact O-N 2.87Å; I133-I137 HydrophobicContact CG2-CD1 3.74Å; I133-I137 HydrophobicContact CG2-CG1 4.42Å; I133-I137 VanDerWaalsContact O-CG1 3.29Å; I133-I137 WeakPolarHBondContact O-CG1 3.33Å; I133-I137 PolarHBondContact O-N 3.39Å
134F83.9Confident82Confident54 Ų5490.2 Ų90.224%0.23747%0.467CS..Hα-helixtrans-60.9-46.3178.4-177.3-104.6000112.4L7 I11 L130 L131 I132 I137 C138L7-F134 HydrophobicContact CB-CE2 4.29Å; L7-F134 HydrophobicContact CB-CZ 4.22Å; L7-F134 HydrophobicContact CD1-CE2 3.78Å; L7-F134 HydrophobicContact CD2-CD2 4.19Å; L7-F134 HydrophobicContact CD2-CE2 3.27Å; L7-F134 HydrophobicContact CD2-CZ 3.68Å; L7-F134 HydrophobicContact CG-CE2 3.93Å; L7-F134 HydrophobicContact CG-CZ 4.32Å; I11-F134 HydrophobicContact CD1-CD1 4.21Å; I11-F134 HydrophobicContact CD1-CE1 3.63Å; I11-F134 HydrophobicContact CD1-CE2 4.24Å; I11-F134 HydrophobicContact CD1-CZ 3.65Å; L130-F134 VanDerWaalsContact O-CB 3.25Å; L130-F134 WeakPolarHBondContact O-CB 3.25Å; L130-F134 PolarHBondContact O-N 3.33Å; L131-F134 WeakPolarHBondContact O-CB 3.33Å; L131-F134 PolarHBondContact O-N 2.98Å; I132-F134 VanDerWaalsContact C-N 3.28Å; I132-F134 PolarHBondContact O-N 3.23Å; F134-I137 PolarHBondContact O-N 3Å; F134-C138 VanDerWaalsContact CE1-SG 3.55Å; F134-C138 WeakPolarHBondContact CZ-SG 3.25Å; F134-C138 WeakPolarHBondContact O-CB 3.49Å; F134-C138 PolarHBondContact O-N 3.43Å; F134-C138 PolarHBondContact O-SG 3.4Å
135I81.1Confident80.9Confident108 Ų10890.6 Ų90.655%0.55447%0.465SS*.Hα-helixtrans-62.1-45176.6-68.1163.5000110.3L131 I132 I137 C138 A139L131-I135 WeakPolarHBondContact O-CB 3.22Å; L131-I135 WeakPolarHBondContact O-CD1 3.35Å; L131-I135 VanDerWaalsContact O-CG1 3.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.43Å; L131-I135 PolarHBondContact O-N 3.29Å; I132-I135 PolarHBondContact O-N 3.49Å; I135-I137 PolarHBondContact O-N 3.38Å; I135-C138 PolarHBondContact O-N 2.95Å; I135-A139 VanDerWaalsContact O-CB 3.25Å; I135-A139 WeakPolarHBondContact O-CB 3.5Å; I135-A139 PolarHBondContact O-N 3Å
136C80.6Confident79.8Confident75 Ų7593.9 Ų93.951%0.50747%0.471SS..Hα-helixtrans-59.4-46.2177.5-75.20000111.9I132 I133 A139 H140I132-C136 WeakPolarHBondContact O-CB 3.47Å; I132-C136 PolarHBondContact O-N 3.29Å; I132-C136 PolarHBondContact O-SG 2.89Å; I132-C136 VanDerWaalsContact O-SG 3.33Å; I133-C136 PolarHBondContact O-N 2.87Å; C136-A139 PolarHBondContact O-N 2.88Å; C136-H140 VanDerWaalsContact O-CB 3.26Å; C136-H140 WeakPolarHBondContact O-CB 3.36Å; C136-H140 PolarHBondContact O-N 3.33Å
137I80.1Confident78.8Confident97 Ų9799.1 Ų99.150%0.49748%0.482SS..Hα-helixtrans-63.1-47.2175.9-67.3167.9000110.1I133 F134 I135 A139 H140 R141I133-I137 HydrophobicContact CG2-CD1 3.74Å; I133-I137 HydrophobicContact CG2-CG1 4.42Å; I133-I137 VanDerWaalsContact O-CG1 3.29Å; I133-I137 WeakPolarHBondContact O-CG1 3.33Å; I133-I137 PolarHBondContact O-N 3.39Å; F134-I137 PolarHBondContact O-N 3Å; I135-I137 PolarHBondContact O-N 3.38Å; I137-A139 PolarHBondContact O-N 2.87Å; I137-H140 PolarHBondContact O-N 3.4Å; I137-R141 HydrophobicContact CG2-CG 4.2Å; I137-R141 WeakPolarHBondContact O-CB 3.29Å; I137-R141 WeakPolarHBondContact O-CG 3.13Å; I137-R141 PolarHBondContact O-N 2.86Å
138C75.7Confident77.9Confident42 Ų42100.2 Ų100.228%0.28449%0.487SS..Hα-helixtrans-59.1-47.7178.6-73.10000111.4F134 I135 R141 H142F134-C138 VanDerWaalsContact CE1-SG 3.55Å; F134-C138 WeakPolarHBondContact CZ-SG 3.25Å; F134-C138 WeakPolarHBondContact O-CB 3.49Å; F134-C138 PolarHBondContact O-N 3.43Å; F134-C138 PolarHBondContact O-SG 3.4Å; I135-C138 PolarHBondContact O-N 2.95Å; C138-R141 PolarHBondContact O-N 3.45Å; C138-H142 VanDerWaalsContact O-CB 3.29Å; C138-H142 WeakPolarHBondContact O-CB 3.38Å; C138-H142 PolarHBondContact O-N 2.81Å
139A75.9Confident77Confident45 Ų45103.7 Ų103.737%0.37249%0.493SS..Hα-helixtrans-63.2-43178.200000111.9I135 C136 I137 H142 K143I135-A139 VanDerWaalsContact O-CB 3.25Å; I135-A139 WeakPolarHBondContact O-CB 3.5Å; I135-A139 PolarHBondContact O-N 3Å; C136-A139 PolarHBondContact O-N 2.88Å; I137-A139 PolarHBondContact O-N 2.87Å; A139-H142 PolarHBondContact O-N 3.45Å; A139-K143 WeakPolarHBondContact O-CB 3.43Å; A139-K143 WeakPolarHBondContact O-CG 3.4Å; A139-K143 PolarHBondContact O-N 2.89Å
140H74.6Confident75.9Confident114 Ų114107.4 Ų107.453%0.52850%0.501SS..Hα-helixtrans-63.1-45.4176.8-173.4-106.7000111.5C136 I137 H142 K143 L144C136-H140 VanDerWaalsContact O-CB 3.26Å; C136-H140 WeakPolarHBondContact O-CB 3.36Å; C136-H140 PolarHBondContact O-N 3.33Å; I137-H140 PolarHBondContact O-N 3.4Å; H140-H142 VanDerWaalsContact C-N 3.32Å; H140-H142 PolarHBondContact O-N 3.37Å; H140-K143 PolarHBondContact O-N 3.26Å; H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 3.33Å
141R72.9Confident75.1Confident142 Ų142111.6 Ų111.654%0.53651%0.51SS..Hα-helixtrans-65.5-36.5175.8-63.4-69.8-81.2-176.4-8.8111.6I137 C138 L144 C145I137-R141 HydrophobicContact CG2-CG 4.2Å; I137-R141 WeakPolarHBondContact O-CB 3.29Å; I137-R141 WeakPolarHBondContact O-CG 3.13Å; I137-R141 PolarHBondContact O-N 2.86Å; C138-R141 PolarHBondContact O-N 3.45Å; R141-L144 PolarHBondContact O-N 3.29Å; R141-C145 WeakPolarHBondContact O-CB 3.45Å; R141-C145 PolarHBondContact O-N 3.46Å; R141-C145 PolarHBondContact O-SG 2.88Å; R141-C145 VanDerWaalsContact O-SG 3.39Å
142H69Low74.5Confident100 Ų100115.3 Ų115.346%0.46352%0.523SS..Hα-helixtrans-67.1-41.8176-146.4-100.1000111.8C138 A139 H140 C145 R146C138-H142 VanDerWaalsContact O-CB 3.29Å; C138-H142 WeakPolarHBondContact O-CB 3.38Å; C138-H142 PolarHBondContact O-N 2.81Å; A139-H142 PolarHBondContact O-N 3.45Å; H140-H142 VanDerWaalsContact C-N 3.32Å; H140-H142 PolarHBondContact O-N 3.37Å; H142-C145 PolarHBondContact O-N 2.92Å; H142-R146 WeakPolarHBondContact O-CB 3.23Å; H142-R146 PolarHBondContact O-N 3.46Å
143K70.9Confident74.2Confident151 Ų151115 Ų11566%0.65752%0.52SS*.Hα-helixtrans-61.2-45.2173.6-76.9-177.1-179.9-177.60111.5A139 H140 R146 R147A139-K143 WeakPolarHBondContact O-CB 3.43Å; A139-K143 WeakPolarHBondContact O-CG 3.4Å; A139-K143 PolarHBondContact O-N 2.89Å; H140-K143 PolarHBondContact O-N 3.26Å; K143-R146 PolarHBondContact O-N 3.4Å; K143-R147 WeakPolarHBondContact O-CG 3.29Å; K143-R147 PolarHBondContact O-N 3.02Å
144L68.2Low73.9Confident77 Ų77117.6 Ų117.640%0.40353%0.53SS..Hα-helixtrans-64.7-43.4176.3-70.3173.6000112.4H140 R141 R147 K148H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 3.33Å; R141-L144 PolarHBondContact O-N 3.29Å; L144-R147 PolarHBondContact O-N 3.02Å; L144-K148 PolarHBondContact O-N 3.49Å
145C66.3Low73.7Confident68 Ų68119.4 Ų119.446%0.45955%0.546SS..Hα-helixtrans-62.8-40.9175.2-77.80000112.1R141 H142 K148 R149R141-C145 WeakPolarHBondContact O-CB 3.45Å; R141-C145 PolarHBondContact O-N 3.46Å; R141-C145 PolarHBondContact O-SG 2.88Å; R141-C145 VanDerWaalsContact O-SG 3.39Å; H142-C145 PolarHBondContact O-N 2.92Å; C145-K148 PolarHBondContact O-N 3.47Å; C145-R149 WeakPolarHBondContact O-CB 3.41Å; C145-R149 PolarHBondContact O-N 3.31Å
146R71.3Confident73.9Confident166 Ų166121.2 Ų121.263%0.62655%0.546SS*.Hα-helixtrans-63.7-43175-82.1-164.6172.4-157.9-0.5112.1H142 K143 R149 R150H142-R146 WeakPolarHBondContact O-CB 3.23Å; H142-R146 PolarHBondContact O-N 3.46Å; K143-R146 PolarHBondContact O-N 3.4Å; R146-R149 PolarHBondContact O-N 3.42Å; R146-R150 PolarHBondContact O-N 2.87Å
147R71.9Confident73.9Confident186 Ų186121 Ų12170%0.70254%0.54SS*.Hα-helixtrans-60.8-44.1175.1-76.1-177.3177-175.6-0.7111.9K143 L144 R149 R150 R151K143-R147 WeakPolarHBondContact O-CG 3.29Å; K143-R147 PolarHBondContact O-N 3.02Å; L144-R147 PolarHBondContact O-N 3.02Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.45Å; R147-R150 PolarHBondContact O-N 2.9Å; R147-R151 PolarHBondContact O-N 3.25Å
148K69.1Low74.1Confident144 Ų144118.3 Ų118.363%0.62654%0.535SS*.Hα-helixtrans-66.6-34.9177.9-164.5171.1-174.7173.50112.3L144 C145 K152L144-K148 PolarHBondContact O-N 3.49Å; C145-K148 PolarHBondContact O-N 3.47Å; K148-K152 WeakPolarHBondContact O-CG 3.48Å; K148-K152 PolarHBondContact O-N 2.92Å
149R69.1Low74.5Confident169 Ų169119.7 Ų119.764%0.63854%0.543SS*.Hα-helixtrans-66.1-46.3174.8-171.2176.9173.7176.51.2111.6C145 R146 R147 R151 K152 E153C145-R149 WeakPolarHBondContact O-CB 3.41Å; C145-R149 PolarHBondContact O-N 3.31Å; R146-R149 PolarHBondContact O-N 3.42Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.45Å; R149-R151 PolarHBondContact O-N 3.39Å; R149-K152 PolarHBondContact O-N 3.44Å; R149-K152 VanDerWaalsContact O-N 3.16Å; R149-E153 IonicContact NE-OE2 3.8Å; R149-E153 WeakPolarHBondContact O-CB 3.41Å; R149-E153 PolarHBondContact O-N 3.19Å
150R69.8Low75Confident176 Ų176122 Ų12266%0.66455%0.545SS*.Hα-helixtrans-56.7-47.9176.4-75.5-172.6-173.8-110.93.5112.4R146 R147 K152 E153 E154R146-R150 PolarHBondContact O-N 2.87Å; R147-R150 PolarHBondContact O-N 2.9Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.5Å; R150-E153 PolarHBondContact O-N 2.98Å; R150-E154 PolarHBondContact O-N 3.16Å
151R71.7Confident75.5Confident191 Ų191123.8 Ų123.872%0.72155%0.552SS**Hα-helixtrans-59.2-41.8176.6-75.2-166.1-175.9-1431.9112.8R147 R149 E153 T155R147-R151 PolarHBondContact O-N 3.25Å; R149-R151 PolarHBondContact O-N 3.39Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.2Å; R151-T155 PolarHBondContact O-N 3.37Å; R151-T155 PolarHBondContact O-OG1 3.25Å
152K73Confident76.3Confident140 Ų140121.4 Ų121.461%0.60955%0.549SS*.Hα-helixtrans-66.1-36.2177.9-76.3-173.1172.6-158.30112.8K148 R149 R150 R156K148-K152 WeakPolarHBondContact O-CG 3.48Å; K148-K152 PolarHBondContact O-N 2.92Å; R149-K152 PolarHBondContact O-N 3.44Å; R149-K152 VanDerWaalsContact O-N 3.16Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 3.5Å; K152-R156 WeakPolarHBondContact O-CB 3.26Å; K152-R156 PolarHBondContact O-N 2.96Å
153E78.6Confident77.1Confident87 Ų87120.8 Ų120.841%0.40755%0.549SS..Hα-helixtrans-72.8-39.2-179.9-155.2143.1-166.400111R149 R150 R151 R156 N157R149-E153 IonicContact NE-OE2 3.8Å; R149-E153 WeakPolarHBondContact O-CB 3.41Å; R149-E153 PolarHBondContact O-N 3.19Å; R150-E153 PolarHBondContact O-N 2.98Å; R151-E153 VanDerWaalsContact C-N 3.34Å; R151-E153 PolarHBondContact O-N 3.2Å; E153-R156 PolarHBondContact O-N 3.43Å; E153-N157 VanDerWaalsContact O-CB 3.3Å; E153-N157 WeakPolarHBondContact O-CB 3.34Å; E153-N157 PolarHBondContact O-N 3.01Å; E153-N157 PolarHBondContact O-OD1 3.48Å
154E78.3Confident77.7Confident137 Ų137120.2 Ų120.264%0.6455%0.551SS**Hα-helixtrans-62.4-45.5170.1-75.9167.9-174.700112.3R150 G158R150-E154 PolarHBondContact O-N 3.16Å; E154-G158 PolarHBondContact O-N 3.31Å
155T80.8Confident78.6Confident93 Ų93121.9 Ų121.957%0.57156%0.559SS**Hα-helixtrans-63.3-44.5175.8-50.70000111.4R151 G158 T159R151-T155 PolarHBondContact O-N 3.37Å; R151-T155 PolarHBondContact O-OG1 3.25Å; T155-G158 PolarHBondContact O-N 2.97Å; T155-T159 PolarHBondContact O-N 3.35Å; T155-T159 PolarHBondContact O-OG1 2.96Å
156R83.5Confident79.1Confident146 Ų146124 Ų12455%0.55156%0.563SS**Hα-helixtrans-62.4-47.9178.7-168.6-177.979148.46.4111.8K152 E153 G158 T159 E160K152-R156 WeakPolarHBondContact O-CB 3.26Å; K152-R156 PolarHBondContact O-N 2.96Å; E153-R156 PolarHBondContact O-N 3.43Å; R156-G158 VanDerWaalsContact C-N 3.27Å; R156-G158 PolarHBondContact O-N 3.18Å; R156-T159 PolarHBondContact O-N 3.41Å; R156-E160 IonicContact CZ-OE1 3.75Å; R156-E160 IonicContact NE-OE1 3.57Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 2.98Å
157N81.4Confident79.3Confident71 Ų71123.1 Ų123.138%0.3857%0.568SS.*Hα-helixtrans-64.4-34178.1-67.22.5000111.3E153 K161E153-N157 VanDerWaalsContact O-CB 3.3Å; E153-N157 WeakPolarHBondContact O-CB 3.34Å; E153-N157 PolarHBondContact O-N 3.01Å; E153-N157 PolarHBondContact O-OD1 3.48Å; N157-K161 WeakPolarHBondContact O-CB 3.45Å; N157-K161 VanDerWaalsContact O-CG 3.26Å; N157-K161 WeakPolarHBondContact O-CG 3.3Å; N157-K161 PolarHBondContact O-N 3.4Å
158G84.1Confident79.2Confident39 Ų39120.3 Ų120.340%0.40257%0.567SS.*Hα-helixtrans-65.7-44.8173.100000113E154 T155 R156 K161 L162E154-G158 PolarHBondContact O-N 3.31Å; T155-G158 PolarHBondContact O-N 2.97Å; R156-G158 VanDerWaalsContact C-N 3.27Å; R156-G158 PolarHBondContact O-N 3.18Å; G158-K161 PolarHBondContact O-N 3.36Å; G158-L162 WeakPolarHBondContact O-CB 3.44Å; G158-L162 PolarHBondContact O-N 3.26Å
159T85.3Confident79.4Confident72 Ų72116.7 Ų116.744%0.44256%0.557SS.*Hα-helixtrans-65.5-41.9175.4-49.80000111.8T155 R156 K161 L162 N163T155-T159 PolarHBondContact O-N 3.35Å; T155-T159 PolarHBondContact O-OG1 2.96Å; R156-T159 PolarHBondContact O-N 3.41Å; T159-K161 PolarHBondContact O-N 3.48Å; T159-L162 PolarHBondContact O-N 3.46Å; T159-N163 WeakPolarHBondContact O-CB 3.26Å; T159-N163 PolarHBondContact O-N 3.21Å; T159-N163 PolarHBondContact O-OD1 3.35Å
160E86Confident78.9Confident92 Ų92114.5 Ų114.543%0.4356%0.558SS.*Hα-helixtrans-61.4-43175.1-75.9173.5-177.200111.7R156 N163 M164R156-E160 IonicContact CZ-OE1 3.75Å; R156-E160 IonicContact NE-OE1 3.57Å; R156-E160 WeakPolarHBondContact O-CB 3.49Å; R156-E160 WeakPolarHBondContact O-CG 3.4Å; R156-E160 PolarHBondContact O-N 2.98Å; E160-N163 PolarHBondContact O-N 3.5Å; E160-M164 VanDerWaalsContact O-CG 3.23Å; E160-M164 WeakPolarHBondContact O-CG 3.32Å; E160-M164 PolarHBondContact O-N 3.47Å
161K85.3Confident78.1Confident153 Ų153108.3 Ų108.367%0.66555%0.549SS*.Hα-helixtrans-62.2-42.5174-77.6-177.8176.4-166.20112.5N157 G158 T159 M164 I165N157-K161 WeakPolarHBondContact O-CB 3.45Å; N157-K161 VanDerWaalsContact O-CG 3.26Å; N157-K161 WeakPolarHBondContact O-CG 3.3Å; N157-K161 PolarHBondContact O-N 3.4Å; G158-K161 PolarHBondContact O-N 3.36Å; T159-K161 PolarHBondContact O-N 3.48Å; K161-M164 PolarHBondContact O-N 3.3Å; K161-I165 VanDerWaalsContact O-CG1 3.32Å; K161-I165 WeakPolarHBondContact O-CG1 3.42Å; K161-I165 PolarHBondContact O-N 2.95Å; K161-I165 VanDerWaalsContact O-N 3.13Å
162L89.1Confident77Confident92 Ų92104.1 Ų104.148%0.48255%0.545SS..Hα-helixtrans-66.4-40.8179.2-170.2134.5000111.7G158 T159 I165 M166G158-L162 WeakPolarHBondContact O-CB 3.44Å; G158-L162 PolarHBondContact O-N 3.26Å; T159-L162 PolarHBondContact O-N 3.46Å; L162-I165 PolarHBondContact O-N 3.01Å; L162-M166 HydrophobicContact CD2-CE 3.56Å; L162-M166 HydrophobicContact CD2-SD 3.75Å; L162-M166 HydrophobicContact CG-CE 4.36Å; L162-M166 WeakPolarHBondContact O-CG 3.47Å; L162-M166 PolarHBondContact O-N 3.23Å
163N85.4Confident75.8Confident86 Ų86104.7 Ų104.746%0.4655%0.549SS..Hα-helixtrans-64-40.1175.2-69.1-1.3000112.1T159 E160 I165 M166 M167T159-N163 WeakPolarHBondContact O-CB 3.26Å; T159-N163 PolarHBondContact O-N 3.21Å; T159-N163 PolarHBondContact O-OD1 3.35Å; E160-N163 PolarHBondContact O-N 3.5Å; N163-I165 VanDerWaalsContact C-N 3.33Å; N163-I165 PolarHBondContact O-N 3.38Å; N163-M166 PolarHBondContact O-N 3.13Å; N163-M167 PolarHBondContact O-N 3.36Å; N163-M167 VanDerWaalsContact O-N 3.13Å
164M83.9Confident74Confident139 Ų139109 Ų10969%0.68557%0.57SS**Hα-helixtrans-62.6-37.8175-72.7-100.1-86.400112.2E160 K161 N168E160-M164 VanDerWaalsContact O-CG 3.23Å; E160-M164 WeakPolarHBondContact O-CG 3.32Å; E160-M164 PolarHBondContact O-N 3.47Å; K161-M164 PolarHBondContact O-N 3.3Å; M164-N168 PolarHBondContact O-N 3.04Å
165I87.4Confident72.2Confident113 Ų113106.5 Ų106.558%0.57957%0.572SS**Hα-helixtrans-67.3-45.3176.1-65.7163.2000110.5K161 L162 N163 M167 N168 T169K161-I165 VanDerWaalsContact O-CG1 3.32Å; K161-I165 WeakPolarHBondContact O-CG1 3.42Å; K161-I165 PolarHBondContact O-N 2.95Å; K161-I165 VanDerWaalsContact O-N 3.13Å; L162-I165 PolarHBondContact O-N 3.01Å; N163-I165 VanDerWaalsContact C-N 3.33Å; N163-I165 PolarHBondContact O-N 3.38Å; I165-M167 VanDerWaalsContact C-N 3.34Å; I165-M167 PolarHBondContact O-N 3.03Å; I165-N168 PolarHBondContact O-N 3.27Å; I165-T169 PolarHBondContact O-N 2.91Å; I165-T169 PolarHBondContact O-OG1 3.04Å
166M77.2Confident70Confident111 Ų111106.8 Ų106.855%0.54758%0.578SS.*Hα-helixtrans-63-35-179.3-73.3179.7168.100113.4L162 N163 N170L162-M166 HydrophobicContact CD2-CE 3.56Å; L162-M166 HydrophobicContact CD2-SD 3.75Å; L162-M166 HydrophobicContact CG-CE 4.36Å; L162-M166 WeakPolarHBondContact O-CG 3.47Å; L162-M166 PolarHBondContact O-N 3.23Å; N163-M166 PolarHBondContact O-N 3.13Å; M166-N170 PolarHBondContact O-N 2.98Å
167M73.5Confident67.9Low149 Ų149105.1 Ų105.173%0.73459%0.588SS**Hα-helixtrans-69.4-38.1175.2-80.7172.513900112.8N163 I165 G171N163-M167 PolarHBondContact O-N 3.36Å; N163-M167 VanDerWaalsContact O-N 3.13Å; I165-M167 VanDerWaalsContact C-N 3.34Å; I165-M167 PolarHBondContact O-N 3.03Å; M167-G171 PolarHBondContact O-N 3.27Å
168N69.8Low65.7Low126 Ų126109.3 Ų109.367%0.67461%0.611SS**Hα-helixtrans-71-31.3176.5-79.510.9000112.7M164 I165 G171 T172M164-N168 PolarHBondContact O-N 3.04Å; I165-N168 PolarHBondContact O-N 3.27Å; N168-G171 PolarHBondContact O-N 2.91Å; N168-T172 PolarHBondContact O-N 2.92Å; N168-T172 PolarHBondContact O-OG1 3.13Å
169T73.8Confident63.2Low69 Ų69112.5 Ų112.542%0.42363%0.627SS.*Hα-helixtrans-71.8-35176-53.70000112.3I165 G171 T172 H173I165-T169 PolarHBondContact O-N 2.91Å; I165-T169 PolarHBondContact O-OG1 3.04Å; T169-G171 VanDerWaalsContact C-N 3.33Å; T169-T172 PolarHBondContact O-N 3Å; T169-T172 PolarHBondContact O-OG1 3.27Å; T169-H173 PolarHBondContact O-CD2 3.18Å
170N58.8Low60.8Low122 Ų122115.7 Ų115.765%0.65265%0.646SS**Hα-helixtrans-70.1-30.8173.9-74.42.8000112.3M166 T172 H173M166-N170 PolarHBondContact O-N 2.98Å; N170-T172 VanDerWaalsContact C-N 3.34Å; N170-T172 PolarHBondContact O-N 3.43Å; N170-H173 PolarHBondContact O-N 2.9Å
171G53.1Low58.2Low46 Ų46120.1 Ų120.147%0.47467%0.667SS.*Hα-helixtrans-72.5-20.2174.900000114.8M167 N168 T169M167-G171 PolarHBondContact O-N 3.27Å; N168-G171 PolarHBondContact O-N 2.91Å; T169-G171 VanDerWaalsContact C-N 3.33Å
172T48.3Very low55.8Low103 Ų103119 Ų11963%0.63267%0.673SS**THydrogen-bonded Turntrans-89.8-3.9175.429.10000114.3N168 T169 N170N168-T172 PolarHBondContact O-N 2.92Å; N168-T172 PolarHBondContact O-OG1 3.13Å; T169-T172 PolarHBondContact O-N 3Å; T169-T172 PolarHBondContact O-OG1 3.27Å; N170-T172 VanDerWaalsContact C-N 3.34Å; N170-T172 PolarHBondContact O-N 3.43Å
173H48.6Very low53.4Low152 Ų152119.5 Ų119.570%0.70468%0.684SS**SBendtrans-98-4.5168-77.2-77.9000113.9T169 N170T169-H173 PolarHBondContact O-CD2 3.18Å; N170-H173 PolarHBondContact O-N 2.9Å
174E41.3Very low51.1Low179 Ų179122 Ų12284%0.83670%0.698SS**SBendtrans-101.423.2169.9-87.1-173.6158.600113
175A39Very low49.3Very low84 Ų84121.6 Ų121.669%0.69470%0.697SS**SBendtrans-135.548.1170.300000111.2
176S36.1Very low47Very low98 Ų98123.3 Ų123.369%0.68571%0.707SS**  trans-163.779.8154.6-166.10000109.2
177S39.1Very low45.2Very low111 Ų111121.8 Ų121.878%0.77671%0.712SS**  trans-128.673158.2-65.80000106.2
178D34.5Very low43.5Very low160 Ų160126.5 Ų126.586%0.85674%0.738SS**  trans-166.594.9153.9-97.1-21.3000108.6
179S32.3Very low42.2Very low106 Ų106126.5 Ų126.574%0.74174%0.741SS**  trans-172.293.414157.30000110.2
180V33.3Very low40.5Very low139 Ų139129.5 Ų129.584%0.84276%0.758SS**  42.394.3129-173.80000115.8
181E33.4Very low39.5Very low184 Ų184129.9 Ų129.986%0.8676%0.764SS**  trans-82.3105.7150.9-168.9177.5-146.900107.6
182T32.9Very low38.7Very low131 Ų131134.9 Ų134.980%0.80478%0.781SS**  trans166.4118.3130.628.80000112.4
183S39.3Very low38.1Very low102 Ų102136.9 Ų136.971%0.71379%0.79SS**  trans-144.2133.7160.763.80000104.9
184N36.4Very low37.4Very low138 Ų138135.9 Ų135.974%0.73880%0.796SS**  cis-161.7141.912.5-97-36.6000108.8
185I46.9Very low37.1Very low131 Ų131132.8 Ų132.867%0.67279%0.793SS**  trans33.5126.6131.5-31176.7000120.6
186N38.9Very low37Very low149 Ų149136.5 Ų136.580%0.79780%0.8SS**  148.2145.8121-76-42000108.9
187A40.2Very low37Very low79 Ų79139.8 Ų139.865%0.65381%0.81SS**  cis176.5153.8-13.100000104
188I37.1Very low36.8Very low247 Ų247142.4 Ų142.4100%1.26781%0.813SS**  trans82.80171.1-48169.8000115.9

Retrieved 188 of 188 residues in 324.1 ms (Link to these results)