A0A087Y4U5_POEFO Loading...

RAB22A, member RAS oncogene family

AlphaFold DB , UniProt , Accession A0A087Y4U5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 164 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
1M66.1Low92.6Very high161 Ų16151.6 Ų51.679%0.79326%0.26SS*.  0130.30-77.4168.1160.900107.5M53M1-M53 HydrophobicContact CB-CG 4.37Å
2A84.1Confident93Very high56 Ų5647.4 Ų47.446%0.46324%0.239SC..EExtended strand (participates in β ladder)trans-68.8146176.300000109.9E52 M53A2-E52 HydrophobicContact CB-CG 4.38Å; A2-M53 PolarHBondContact O-N 2.81Å
3L91.1Very high93.2Very high102 Ų10246.8 Ų46.853%0.53424%0.237SC..EExtended strand (participates in β ladder)trans-108.8117.3175.517970.6000108.4M53 K55L3-M53 CarbonylContact C-O 3.59Å; L3-M53 WeakPolarHBondContact CA-O 3.3Å; L3-M53 HydrophobicContact CD1-CB 3.79Å; L3-K55 HydrophobicContact CD1-CB 3.94Å
4R93.7Very high93.4Very high91 Ų9148.1 Ų48.134%0.34325%0.249SC..EExtended strand (participates in β ladder)trans-102.1118.6173.2-174.1177.3173.1177.8-8108.3L6 M53 H54 K55 S163 E164R4-L6 HydrophobicContact CB-CD1 4.42Å; R4-L6 HydrophobicContact CG-CD1 3.89Å; R4-L6 HydrophobicContact CG-CG 4.28Å; R4-M53 PolarHBondContact N-O 2.87Å; R4-H54 CarbonylContact O-C 3.59Å; R4-H54 WeakPolarHBondContact O-CA 3.47Å; R4-K55 PolarHBondContact O-N 2.84Å; R4-S163 PolarHBondContact NH1-O 3.4Å; R4-S163 PolarHBondContact NH2-O 3.24Å; R4-E164 PolarHBondContact NH1-O 3.42Å; R4-E164 PolarHBondContact NH2-O 3.37Å; R4-E164 PolarHBondContact NH2-OXT 2.82Å
5E95.9Very high93.5Very high107 Ų10748.2 Ų48.250%0.527%0.266SS..EExtended strand (participates in β ladder)trans-93.8128.3173.4-64.6-162.7146.800110.1K55E5-K55 CarbonylContact C-O 3.5Å; E5-K55 WeakPolarHBondContact CA-O 3.48Å; E5-K55 HydrophobicContact CG-CB 4.29Å; E5-K55 HydrophobicContact CG-CD 4.25Å; E5-K55 WeakPolarHBondContact OE1-CD 3.25Å; E5-K55 WeakPolarHBondContact OE1-CE 3.11Å; E5-K55 IonicContact OE1-NZ 3.78Å; E5-K55 PolarHBondContact OE1-NZ 3.29Å
6L96.6Very high93.8Very high4 Ų445.4 Ų45.42%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-122.6113.8-180-62.7106.1000110.2R4 V8 H54 K55 F56 L57R4-L6 HydrophobicContact CB-CD1 4.42Å; R4-L6 HydrophobicContact CG-CD1 3.89Å; R4-L6 HydrophobicContact CG-CG 4.28Å; L6-V8 HydrophobicContact CB-CG2 4.44Å; L6-H54 HydrophobicContact CD1-CB 4.03Å; L6-K55 PolarHBondContact N-O 2.85Å; L6-F56 HydrophobicContact CB-CD1 4.21Å; L6-F56 HydrophobicContact CB-CE1 4.47Å; L6-F56 HydrophobicContact CD1-CE1 4.4Å; L6-F56 CarbonylContact O-C 3.59Å; L6-F56 WeakPolarHBondContact O-CA 3.47Å; L6-L57 PolarHBondContact O-N 3.06Å
7K97.9Very high94.1Very high47 Ų4743.4 Ų43.420%0.20424%0.243CC..EExtended strand (participates in β ladder)trans-77.7123167.9-177.7-179.9167.7177.30109.7L57 Y74 R76 S78 A79 A80K7-L57 WeakPolarHBondContact CA-O 3.45Å; K7-L57 HydrophobicContact CB-CB 4.49Å; K7-Y74 WeakPolarHBondContact CE-O 3.44Å; K7-Y74 PolarHBondContact NZ-O 3.47Å; K7-R76 PolarHBondContact NZ-O 2.82Å; K7-S78 WeakPolarHBondContact CE-OG 3.39Å; K7-S78 CarbonylContact O-C 3.54Å; K7-S78 WeakPolarHBondContact O-CA 3.49Å; K7-A79 PolarHBondContact O-N 3.16Å; K7-A80 PolarHBondContact O-N 3.4Å
8V98.3Very high94.3Very high0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-124.3138.9-179.7-174.90000109.1L6 F56 L57 I58 W59 A80 I82 I162L6-V8 HydrophobicContact CB-CG2 4.44Å; V8-F56 HydrophobicContact CG2-CD1 3.84Å; V8-F56 HydrophobicContact CG2-CE1 4.47Å; V8-L57 PolarHBondContact N-O 3.17Å; V8-I58 CarbonylContact O-C 3.48Å; V8-I58 WeakPolarHBondContact O-CA 3.37Å; V8-W59 PolarHBondContact O-N 3.45Å; V8-A80 WeakPolarHBondContact CA-O 3.36Å; V8-A80 HydrophobicContact CG2-CB 4.37Å; V8-I82 HydrophobicContact CG1-CD1 4.14Å; V8-I82 HydrophobicContact CG1-CG1 4.12Å; V8-I162 HydrophobicContact CB-CD1 4.43Å; V8-I162 HydrophobicContact CG1-CD1 3.7Å; V8-I162 HydrophobicContact CG2-CD1 3.79Å
9C98Very high94.5Very high0 Ų040.3 Ų40.30%023%0.226CC..EExtended strand (participates in β ladder)trans-119.6140.6169.8560000111W59 Y75 A80 A81 I82C9-W59 CarbonylContact C-O 3.46Å; C9-W59 WeakPolarHBondContact CA-O 3.32Å; C9-W59 HydrophobicContact CB-CB 4.18Å; C9-Y75 WeakPolarHBondContact SG-CB 3.47Å; C9-A80 PolarHBondContact N-O 3.42Å; C9-A81 CarbonylContact O-C 3.36Å; C9-A81 VanDerWaalsContact O-CA 3.27Å; C9-A81 WeakPolarHBondContact O-CA 3.48Å; C9-I82 PolarHBondContact O-N 3.32Å
10L98.5Very high94.7Very high0 Ų038.9 Ų38.90%022%0.219CC..EExtended strand (participates in β ladder)trans-98.8128.8171.4-73.980.4000109.5K18 I21 V22 I58 W59 T61 I82 V84L10-K18 HydrophobicContact CB-CB 4.18Å; L10-K18 HydrophobicContact CB-CD 4.21Å; L10-K18 HydrophobicContact CB-CG 4.37Å; L10-K18 HydrophobicContact CD2-CB 4.03Å; L10-K18 WeakPolarHBondContact CD2-O 3.38Å; L10-I21 HydrophobicContact CD2-CB 4.46Å; L10-I21 HydrophobicContact CD2-CG2 4.35Å; L10-V22 HydrophobicContact CD1-CG2 3.56Å; L10-V22 HydrophobicContact CD2-CG2 3.37Å; L10-V22 HydrophobicContact CG-CG2 4.06Å; L10-I58 HydrophobicContact CD1-CG2 3.36Å; L10-W59 PolarHBondContact N-O 3.32Å; L10-T61 WeakPolarHBondContact O-CG2 3.23Å; L10-T61 PolarHBondContact O-N 3.3Å; L10-T61 PolarHBondContact O-OG1 2.9Å; L10-I82 CarbonylContact C-O 3.57Å; L10-I82 VanDerWaalsContact CA-O 3.27Å; L10-I82 WeakPolarHBondContact CA-O 3.28Å; L10-I82 HydrophobicContact CG-CB 4.28Å; L10-V84 HydrophobicContact CD2-CG2 4.37Å
11L98.1Very high94.9Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-123.4163177.8-59.6174.4000110.3K18 T61 A71 Y75 I82 I83 V84 W99 L103L11-K18 VanDerWaalsContact C-CD 3.41Å; L11-K18 WeakPolarHBondContact O-CD 3.4Å; L11-T61 HydrophobicContact CD2-CG2 4.11Å; L11-A71 HydrophobicContact CD2-CB 4.37Å; L11-Y75 HydrophobicContact CD1-CD1 4.13Å; L11-Y75 HydrophobicContact CD2-CD1 4.46Å; L11-I82 PolarHBondContact N-O 3.04Å; L11-I83 HydrophobicContact CB-CG1 4.36Å; L11-I83 HydrophobicContact CB-CG2 4.36Å; L11-I83 WeakPolarHBondContact O-CA 3.37Å; L11-V84 PolarHBondContact O-N 3.3Å; L11-W99 HydrophobicContact CB-CD2 4.35Å; L11-W99 HydrophobicContact CB-CE3 4.29Å; L11-W99 HydrophobicContact CD1-CE3 4.34Å; L11-W99 HydrophobicContact CD2-CE3 4.37Å; L11-W99 HydrophobicContact CD2-CZ3 4.23Å; L11-L103 HydrophobicContact CD1-CD1 4.13Å; L11-L103 HydrophobicContact CD1-CD2 4.42Å
12G97.6Very high96.5Very high1 Ų129.4 Ų29.41%0.0117%0.171CC..  trans130.2171.9-176.300000112.5K18 G63G12-K18 WeakPolarHBondContact O-CE 3.49Å; G12-K18 PolarHBondContact O-NZ 3.36Å; G12-G63 WeakPolarHBondContact O-CA 3.46Å
13D95.9Very high97.1Very high39 Ų3927.9 Ų27.921%0.20916%0.157CC..  trans-72.1168.2-171.4-773.3000113.9G15 V16 K18 T95 W99D13-G15 PolarHBondContact O-N 2.82Å; D13-V16 HydrophobicContact CB-CG1 3.99Å; D13-V16 VanDerWaalsContact O-CG2 3.25Å; D13-V16 WeakPolarHBondContact O-CG2 3.27Å; D13-K18 PolarHBondContact O-NZ 3.29Å; D13-T95 WeakPolarHBondContact OD1-CG2 3.43Å; D13-T95 WeakPolarHBondContact OD2-CB 3.42Å; D13-T95 WeakPolarHBondContact OD2-CG2 3.27Å; D13-T95 PolarHBondContact OD2-OG1 3Å; D13-W99 PolarHBondContact OD1-NE1 3.39Å
14T95.4Very high97.5Very high66 Ų6625 Ų2541%0.40514%0.139SC..THydrogen-bonded Turntrans-62.3135.7172.8-56.90000110V16 P36 G63 Q64T14-V16 VanDerWaalsContact C-N 3.32Å; T14-V16 PolarHBondContact O-N 2.59Å; T14-P36 HydrophobicContact CG2-CB 4.48Å; T14-G63 PolarHBondContact N-O 2.75Å; T14-G63 VanDerWaalsContact N-O 3.14Å; T14-G63 PolarHBondContact OG1-O 2.98Å; T14-Q64 HydrophobicContact CG2-CG 4.35Å; T14-Q64 WeakPolarHBondContact OG1-CA 3.47Å; T14-Q64 WeakPolarHBondContact OG1-CG 3.41Å; T14-Q64 PolarHBondContact OG1-N 2.68Å; T14-Q64 VanDerWaalsContact OG1-N 3.07Å
15G95.9Very high97.7Very high49 Ų4920.7 Ų20.751%0.50512%0.123SC..THydrogen-bonded Turntrans82.7-1.8173.300000116.1D13 G17 K119D13-G15 PolarHBondContact O-N 2.82Å; G15-G17 PolarHBondContact O-N 3.36Å; G15-K119 PolarHBondContact O-NZ 3.37Å
16V98.1Very high97.8Very high3 Ų317.5 Ų17.52%0.01811%0.11CC..SBendtrans-70.8-17.5173.5-54.50000112.9D13 T14 K18 V84 D86 N118D13-V16 HydrophobicContact CB-CG1 3.99Å; D13-V16 VanDerWaalsContact O-CG2 3.25Å; D13-V16 WeakPolarHBondContact O-CG2 3.27Å; T14-V16 VanDerWaalsContact C-N 3.32Å; T14-V16 PolarHBondContact O-N 2.59Å; V16-K18 HydrophobicContact CG2-CD 4.46Å; V16-K18 HydrophobicContact CG2-CG 3.76Å; V16-V84 HydrophobicContact CB-CG1 4.24Å; V16-V84 HydrophobicContact CG2-CB 3.83Å; V16-V84 HydrophobicContact CG2-CG1 3.8Å; V16-D86 HydrophobicContact CB-CB 4.38Å; V16-D86 HydrophobicContact CG1-CB 4.32Å; V16-N118 PolarHBondContact O-ND2 3.15Å
17G98.2Very high97.8Very high12 Ų1223 Ų2312%0.12414%0.136CC..SBendtrans100.323.8173.500000115.8G15 S19 S20 I21G15-G17 PolarHBondContact O-N 3.36Å; G17-S19 PolarHBondContact O-N 2.8Å; G17-S20 WeakPolarHBondContact O-CB 3.35Å; G17-S20 PolarHBondContact O-N 2.98Å; G17-I21 WeakPolarHBondContact O-CG1 3.4Å; G17-I21 PolarHBondContact O-N 3.02Å
18K98.4Very high97.8Very high9 Ų926.2 Ų26.24%0.03916%0.155CC..Hα-helixtrans-49.2-57.6172.7-59.5-174.1-58.5-730112L10 L11 G12 D13 V16 S20 I21 V22 D60 T61 V84L10-K18 HydrophobicContact CB-CB 4.18Å; L10-K18 HydrophobicContact CB-CD 4.21Å; L10-K18 HydrophobicContact CB-CG 4.37Å; L10-K18 HydrophobicContact CD2-CB 4.03Å; L10-K18 WeakPolarHBondContact CD2-O 3.38Å; L11-K18 VanDerWaalsContact C-CD 3.41Å; L11-K18 WeakPolarHBondContact O-CD 3.4Å; G12-K18 WeakPolarHBondContact O-CE 3.49Å; G12-K18 PolarHBondContact O-NZ 3.36Å; D13-K18 PolarHBondContact O-NZ 3.29Å; V16-K18 HydrophobicContact CG2-CD 4.46Å; V16-K18 HydrophobicContact CG2-CG 3.76Å; K18-S20 VanDerWaalsContact C-N 3.29Å; K18-S20 PolarHBondContact O-N 2.98Å; K18-I21 WeakPolarHBondContact O-CB 3.41Å; K18-I21 PolarHBondContact O-N 2.91Å; K18-I21 VanDerWaalsContact O-N 3.07Å; K18-V22 WeakPolarHBondContact O-CG2 3.33Å; K18-V22 PolarHBondContact O-N 3.44Å; K18-D60 VanDerWaalsContact CB-OD1 3.3Å; K18-D60 WeakPolarHBondContact CB-OD1 3.33Å; K18-T61 WeakPolarHBondContact CE-O 3.18Å; K18-V84 HydrophobicContact CG-CB 3.93Å; K18-V84 HydrophobicContact CG-CG2 3.85Å
19S98.3Very high97.7Very high19 Ų1928.1 Ų28.113%0.13317%0.168CC..Hα-helixtrans-58.2-40.8179-42.30000112G17 I21 V22 C23 T37 D60G17-S19 PolarHBondContact O-N 2.8Å; S19-I21 PolarHBondContact O-N 3.27Å; S19-V22 PolarHBondContact O-N 3.1Å; S19-C23 WeakPolarHBondContact O-CB 3.47Å; S19-C23 PolarHBondContact O-N 3.33Å; S19-C23 PolarHBondContact O-SG 3.44Å; S19-C23 VanDerWaalsContact O-SG 3.36Å; S19-T37 PolarHBondContact OG-OG1 2.96Å; S19-D60 VanDerWaalsContact CB-OD2 3.29Å; S19-D60 WeakPolarHBondContact CB-OD2 3.38Å; S19-D60 PolarHBondContact N-OD1 2.88Å; S19-D60 PolarHBondContact OG-OD1 2.89Å; S19-D60 PolarHBondContact OG-OD2 3.06Å
20S98.5Very high97.7Very high12 Ų1231.7 Ų31.78%0.08418%0.184CC..Hα-helixtrans-64.3-38.9176.4-50.40000112.7G17 K18 R24G17-S20 WeakPolarHBondContact O-CB 3.35Å; G17-S20 PolarHBondContact O-N 2.98Å; K18-S20 VanDerWaalsContact C-N 3.29Å; K18-S20 PolarHBondContact O-N 2.98Å; S20-R24 WeakPolarHBondContact O-CB 3.34Å; S20-R24 PolarHBondContact O-N 3.5Å
21I98.8Very high97.6Very high0 Ų035.6 Ų35.60%021%0.205CC..Hα-helixtrans-62.9-45.4173.5-70.8170.1000110L10 G17 K18 S19 R24 F25 V84 A116 N118 A149 I155 F159L10-I21 HydrophobicContact CD2-CB 4.46Å; L10-I21 HydrophobicContact CD2-CG2 4.35Å; G17-I21 WeakPolarHBondContact O-CG1 3.4Å; G17-I21 PolarHBondContact O-N 3.02Å; K18-I21 WeakPolarHBondContact O-CB 3.41Å; K18-I21 PolarHBondContact O-N 2.91Å; K18-I21 VanDerWaalsContact O-N 3.07Å; S19-I21 PolarHBondContact O-N 3.27Å; I21-R24 PolarHBondContact O-N 3.09Å; I21-F25 WeakPolarHBondContact O-CB 3.39Å; I21-F25 PolarHBondContact O-N 3.11Å; I21-V84 HydrophobicContact CD1-CG1 3.74Å; I21-V84 HydrophobicContact CD1-CG2 4.03Å; I21-A116 HydrophobicContact CD1-CB 4.48Å; I21-N118 HydrophobicContact CD1-CB 4.07Å; I21-A149 HydrophobicContact CG1-CB 4.15Å; I21-I155 HydrophobicContact CB-CD1 4.38Å; I21-I155 HydrophobicContact CG1-CD1 3.99Å; I21-I155 HydrophobicContact CG2-CD1 4.17Å; I21-F159 HydrophobicContact CG2-CE2 3.86Å; I21-F159 HydrophobicContact CG2-CZ 4.37Å
22V98.4Very high97.3Very high1 Ų140.1 Ų40.11%0.00624%0.235CC..Hα-helixtrans-66.2-46.1179.3-169.20000111.3L10 K18 S19 R24 F25 V26 M43 I58 D60L10-V22 HydrophobicContact CD1-CG2 3.56Å; L10-V22 HydrophobicContact CD2-CG2 3.37Å; L10-V22 HydrophobicContact CG-CG2 4.06Å; K18-V22 WeakPolarHBondContact O-CG2 3.33Å; K18-V22 PolarHBondContact O-N 3.44Å; S19-V22 PolarHBondContact O-N 3.1Å; V22-R24 VanDerWaalsContact C-N 3.35Å; V22-R24 PolarHBondContact O-N 3.13Å; V22-F25 PolarHBondContact O-N 3.21Å; V22-V26 HydrophobicContact CG1-CG2 3.92Å; V22-V26 WeakPolarHBondContact O-CB 3.31Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.2Å; V22-V26 PolarHBondContact O-N 3.36Å; V22-M43 HydrophobicContact CB-CE 4Å; V22-M43 HydrophobicContact CG1-CB 4.15Å; V22-M43 HydrophobicContact CG1-CE 3.38Å; V22-M43 HydrophobicContact CG1-CG 4.24Å; V22-I58 HydrophobicContact CG1-CB 4.29Å; V22-I58 HydrophobicContact CG1-CD1 4.2Å; V22-I58 HydrophobicContact CG1-CG2 3.75Å; V22-I58 HydrophobicContact CG2-CG2 3.9Å; V22-D60 HydrophobicContact CG2-CB 4.14Å
23C97.8Very high97.1Very high23 Ų2346.3 Ų46.316%0.15527%0.267CS..Hα-helixtrans-59.8-44.8175.4-71.40000111.4S19 F25 V26 E27 D28S19-C23 WeakPolarHBondContact O-CB 3.47Å; S19-C23 PolarHBondContact O-N 3.33Å; S19-C23 PolarHBondContact O-SG 3.44Å; S19-C23 VanDerWaalsContact O-SG 3.36Å; C23-F25 VanDerWaalsContact C-N 3.31Å; C23-F25 PolarHBondContact O-N 3.37Å; C23-V26 PolarHBondContact O-N 3.24Å; C23-E27 WeakPolarHBondContact O-CA 3.37Å; C23-E27 WeakPolarHBondContact O-CB 3.38Å; C23-E27 PolarHBondContact O-N 3.24Å; C23-D28 PolarHBondContact O-N 2.65Å
24R98.5Very high96.9Very high41 Ų4147.5 Ų47.516%0.15527%0.273CS..Hα-helixtrans-62-40.8176.517955.373.6-1731.2111.7S20 I21 V22 D28 S29 A149 K150 A152 I155S20-R24 WeakPolarHBondContact O-CB 3.34Å; S20-R24 PolarHBondContact O-N 3.5Å; I21-R24 PolarHBondContact O-N 3.09Å; V22-R24 VanDerWaalsContact C-N 3.35Å; V22-R24 PolarHBondContact O-N 3.13Å; R24-D28 WeakPolarHBondContact CD-OD1 3.4Å; R24-D28 IonicContact CZ-OD1 3.94Å; R24-D28 PolarHBondContact NH1-O 3.17Å; R24-D28 IonicContact NH1-OD1 3.27Å; R24-D28 PolarHBondContact NH1-OD1 2.89Å; R24-D28 VanDerWaalsContact O-CA 3.28Å; R24-D28 WeakPolarHBondContact O-CA 3.43Å; R24-D28 PolarHBondContact O-N 3.39Å; R24-S29 VanDerWaalsContact CA-O 3.31Å; R24-S29 WeakPolarHBondContact CA-O 3.29Å; R24-S29 PolarHBondContact N-O 2.93Å; R24-A149 HydrophobicContact CB-CB 4.49Å; R24-A149 PolarHBondContact NE-O 2.98Å; R24-K150 PolarHBondContact NH2-O 3.14Å; R24-A152 HydrophobicContact CG-CB 4.21Å; R24-I155 HydrophobicContact CB-CG1 4.45Å; R24-I155 HydrophobicContact CB-CG2 4.27Å; R24-I155 HydrophobicContact CG-CB 4.14Å; R24-I155 HydrophobicContact CG-CD1 4.44Å; R24-I155 HydrophobicContact CG-CG1 3.73Å; R24-I155 HydrophobicContact CG-CG2 3.95Å
25F98.5Very high96.7Very high2 Ų251 Ų511%0.00929%0.289CS..Hα-helixtrans-67.9-49.7176.4-177.9-118.4000111.5I21 V22 C23 K45 V47 F56 I58 I155 N156 F159I21-F25 WeakPolarHBondContact O-CB 3.39Å; I21-F25 PolarHBondContact O-N 3.11Å; V22-F25 PolarHBondContact O-N 3.21Å; C23-F25 VanDerWaalsContact C-N 3.31Å; C23-F25 PolarHBondContact O-N 3.37Å; F25-K45 HydrophobicContact CD1-CB 4.31Å; F25-K45 HydrophobicContact CD1-CD 3.93Å; F25-K45 HydrophobicContact CD2-CD 4.3Å; F25-K45 HydrophobicContact CE1-CB 3.88Å; F25-K45 HydrophobicContact CE1-CD 3.76Å; F25-K45 HydrophobicContact CE1-CG 4.06Å; F25-K45 HydrophobicContact CE2-CD 4.13Å; F25-K45 HydrophobicContact CG-CD 4.21Å; F25-K45 HydrophobicContact CZ-CD 3.86Å; F25-K45 HydrophobicContact CZ-CG 4.27Å; F25-K45 WeakPolarHBondContact O-CD 3.38Å; F25-K45 WeakPolarHBondContact O-CE 3.47Å; F25-K45 PolarHBondContact O-NZ 3.4Å; F25-V47 HydrophobicContact CE2-CG1 4.26Å; F25-V47 HydrophobicContact CZ-CG1 3.88Å; F25-F56 HydrophobicContact CE1-CB 4.47Å; F25-F56 AromaticContact CE1-CD2 3.88Å; F25-F56 HydrophobicContact CE1-CD2 3.88Å; F25-F56 HydrophobicContact CE1-CE2 4.39Å; F25-F56 HydrophobicContact CE1-CG 4.25Å; F25-F56 AromaticContact CZ-CD2 3.82Å; F25-F56 HydrophobicContact CZ-CD2 3.82Å; F25-F56 AromaticContact CZ-CE2 3.9Å; F25-F56 HydrophobicContact CZ-CE2 3.9Å; F25-I58 HydrophobicContact CD1-CD1 3.71Å; F25-I58 HydrophobicContact CE1-CD1 3.92Å; F25-I155 HydrophobicContact CB-CG2 3.71Å; F25-I155 HydrophobicContact CD2-CG2 4.35Å; F25-N156 WeakPolarHBondContact CD2-OD1 3.48Å; F25-N156 WeakPolarHBondContact CE2-OD1 3.2Å; F25-F159 HydrophobicContact CB-CD2 4.05Å; F25-F159 HydrophobicContact CB-CE2 3.63Å; F25-F159 HydrophobicContact CB-CZ 4.16Å; F25-F159 AromaticContact CD1-CD1 3.91Å; F25-F159 HydrophobicContact CD1-CD1 3.91Å; F25-F159 AromaticContact CD1-CD2 3.85Å; F25-F159 HydrophobicContact CD1-CD2 3.85Å; F25-F159 AromaticContact CD1-CE1 3.88Å; F25-F159 HydrophobicContact CD1-CE1 3.88Å; F25-F159 AromaticContact CD1-CE2 3.82Å; F25-F159 HydrophobicContact CD1-CE2 3.82Å; F25-F159 AromaticContact CD1-CG 3.9Å; F25-F159 HydrophobicContact CD1-CG 3.9Å; F25-F159 AromaticContact CD1-CZ 3.84Å; F25-F159 HydrophobicContact CD1-CZ 3.84Å; F25-F159 HydrophobicContact CD2-CB 4.31Å; F25-F159 AromaticContact CD2-CD2 3.66Å; F25-F159 HydrophobicContact CD2-CD2 3.66Å; F25-F159 HydrophobicContact CD2-CE2 4.14Å; F25-F159 HydrophobicContact CD2-CG 4.04Å; F25-F159 HydrophobicContact CE1-CB 4.18Å; F25-F159 AromaticContact CE1-CD1 3.71Å; F25-F159 HydrophobicContact CE1-CD1 3.71Å; F25-F159 HydrophobicContact CE1-CD2 4.17Å; F25-F159 HydrophobicContact CE1-CE1 4.09Å; F25-F159 AromaticContact CE1-CG 3.75Å; F25-F159 HydrophobicContact CE1-CG 3.75Å; F25-F159 HydrophobicContact CE1-CZ 4.47Å; F25-F159 HydrophobicContact CE2-CB 3.77Å; F25-F159 HydrophobicContact CE2-CD2 4Å; F25-F159 AromaticContact CE2-CG 3.92Å; F25-F159 HydrophobicContact CE2-CG 3.92Å; F25-F159 HydrophobicContact CG-CD1 4.47Å; F25-F159 AromaticContact CG-CD2 3.58Å; F25-F159 HydrophobicContact CG-CD2 3.58Å; F25-F159 HydrophobicContact CG-CE1 4.5Å; F25-F159 AromaticContact CG-CE2 3.6Å; F25-F159 HydrophobicContact CG-CE2 3.6Å; F25-F159 HydrophobicContact CG-CG 4.04Å; F25-F159 HydrophobicContact CG-CZ 4.08Å; F25-F159 HydrophobicContact CZ-CB 3.69Å; F25-F159 HydrophobicContact CZ-CD1 4.12Å; F25-F159 HydrophobicContact CZ-CD2 4.24Å; F25-F159 AromaticContact CZ-CG 3.76Å; F25-F159 HydrophobicContact CZ-CG 3.76Å
26V97.9Very high96.5Very high40 Ų4052.3 Ų52.324%0.24229%0.289CS..Hα-helixtrans-76.9-43.2-170.7177.80000112.5V22 C23 M43 K45 I58V22-V26 HydrophobicContact CG1-CG2 3.92Å; V22-V26 WeakPolarHBondContact O-CB 3.31Å; V22-V26 VanDerWaalsContact O-CG2 3.3Å; V22-V26 WeakPolarHBondContact O-CG2 3.2Å; V22-V26 PolarHBondContact O-N 3.36Å; C23-V26 PolarHBondContact O-N 3.24Å; V26-M43 HydrophobicContact CB-CE 3.99Å; V26-M43 HydrophobicContact CG1-CE 4.44Å; V26-M43 HydrophobicContact CG1-SD 4.45Å; V26-M43 HydrophobicContact CG2-CB 4.05Å; V26-M43 HydrophobicContact CG2-CE 4.04Å; V26-K45 HydrophobicContact CG2-CB 4.18Å; V26-I58 HydrophobicContact CG2-CD1 3.88Å
27E97.1Very high96.1Very high119 Ų11953.4 Ų53.456%0.55630%0.296SS*.Hα-helixtrans-115.7-5.6-166.8-57.3176.1172.100113.4C23 S29C23-E27 WeakPolarHBondContact O-CA 3.37Å; C23-E27 WeakPolarHBondContact O-CB 3.38Å; C23-E27 PolarHBondContact O-N 3.24Å; E27-S29 PolarHBondContact O-N 2.74Å; E27-S29 PolarHBondContact OE2-OG 3.35Å
28D97.4Very high95.6Very high115 Ų11558.9 Ų58.962%0.61532%0.321SS*.SBendtrans51.639.4-168.6-163.322.4000112.9C23 R24C23-D28 PolarHBondContact O-N 2.65Å; R24-D28 WeakPolarHBondContact CD-OD1 3.4Å; R24-D28 IonicContact CZ-OD1 3.94Å; R24-D28 PolarHBondContact NH1-O 3.17Å; R24-D28 IonicContact NH1-OD1 3.27Å; R24-D28 PolarHBondContact NH1-OD1 2.89Å; R24-D28 VanDerWaalsContact O-CA 3.28Å; R24-D28 WeakPolarHBondContact O-CA 3.43Å; R24-D28 PolarHBondContact O-N 3.39Å
29S97.2Very high95.2Very high39 Ų3958.9 Ų58.927%0.27332%0.323SS..  trans-119.8154.2-176.975.90000111.7R24 E27R24-S29 VanDerWaalsContact CA-O 3.31Å; R24-S29 WeakPolarHBondContact CA-O 3.29Å; R24-S29 PolarHBondContact N-O 2.93Å; E27-S29 PolarHBondContact O-N 2.74Å; E27-S29 PolarHBondContact OE2-OG 3.35Å
30F98Very high94.9Very high76 Ų7659.3 Ų59.333%0.33333%0.328SS..  trans-143.3126.1170.7175.1-95.6000110P32 A149 K150F30-P32 HydrophobicContact CE1-CB 4Å; F30-P32 HydrophobicContact CZ-CB 4.46Å; F30-A149 HydrophobicContact CD2-CB 4.19Å; F30-A149 HydrophobicContact CE2-CB 4.38Å; F30-K150 HydrophobicContact CD1-CB 4.43Å; F30-K150 HydrophobicContact CD1-CG 4.17Å; F30-K150 HydrophobicContact CD2-CB 4.33Å; F30-K150 HydrophobicContact CE1-CB 4.13Å; F30-K150 HydrophobicContact CE1-CG 3.83Å; F30-K150 HydrophobicContact CE2-CB 4.02Å; F30-K150 HydrophobicContact CZ-CB 3.92Å; F30-K150 HydrophobicContact CZ-CG 4.08Å
31D96.5Very high94.7Very high81 Ų8161.2 Ų61.243%0.43334%0.341SS..  trans-116116.5172.7-177.8-0.1000109.5N33 I34D31-N33 PolarHBondContact O-N 3Å; D31-N33 WeakPolarHBondContact OD1-CA 3.49Å; D31-N33 PolarHBondContact OD1-N 2.9Å; D31-I34 HydrophobicContact CB-CB 4.46Å; D31-I34 PolarHBondContact O-N 3.11Å
32P91.8Very high94.6Very high96 Ų9665.9 Ų65.962%0.62336%0.362SS*.THydrogen-bonded Turntrans-65-18.8176.227.6-34.8000113.4F30F30-P32 HydrophobicContact CE1-CB 4Å; F30-P32 HydrophobicContact CZ-CB 4.46Å
33N93Very high94.6Very high130 Ų13067.5 Ų67.570%0.69537%0.37SS*.THydrogen-bonded Turntrans-107.323.6-177.3-57.9-55.5000112.7D31 N35D31-N33 PolarHBondContact O-N 3Å; D31-N33 WeakPolarHBondContact OD1-CA 3.49Å; D31-N33 PolarHBondContact OD1-N 2.9Å; N33-N35 PolarHBondContact O-N 3.15Å
34I92.1Very high94.6Very high64 Ų6469.7 Ų69.733%0.32838%0.383SS..PPolyproline II helixtrans-55.5127.7179.5-166.7164.3000111.2D31D31-I34 HydrophobicContact CB-CB 4.46Å; D31-I34 PolarHBondContact O-N 3.11Å
35N91.3Very high94.6Very high139 Ų13970.3 Ų70.374%0.74339%0.387SS*.PPolyproline II helixtrans-67.7146.5179.3-73.8-55.1000110.9N33 T37N33-N35 PolarHBondContact O-N 3.15Å; N35-T37 PolarHBondContact O-N 3.03Å
36P91.3Very high94.5Very high77 Ų7773.5 Ų73.550%0.541%0.406SS..PPolyproline II helixtrans-58.5132.1174.5-24.233.8000112.3T14 I38T14-P36 HydrophobicContact CG2-CB 4.48Å; P36-I38 PolarHBondContact O-N 3.32Å
37T88.8Confident94.3Very high26 Ų2672.7 Ų72.716%0.1640%0.401CS..PPolyproline II helixtrans-59.4133.3174.4-51.60000111.1S19 N35 D60 A62 Q64S19-T37 PolarHBondContact OG-OG1 2.96Å; N35-T37 PolarHBondContact O-N 3.03Å; T37-D60 PolarHBondContact OG1-OD2 3.44Å; T37-A62 VanDerWaalsContact O-CB 3.25Å; T37-A62 WeakPolarHBondContact O-CB 3.39Å; T37-Q64 PolarHBondContact O-NE2 3.01Å
38I89.1Confident94.1Very high127 Ų12772.9 Ų72.965%0.65140%0.402SS*.SBendtrans-101117.4173.8-59.1178.5000107.8P36 A40 F67P36-I38 PolarHBondContact O-N 3.32Å; I38-A40 PolarHBondContact O-N 2.87Å; I38-F67 HydrophobicContact CG2-CE1 4.5Å; I38-F67 HydrophobicContact CG2-CE2 4.28Å; I38-F67 HydrophobicContact CG2-CZ 3.82Å
39G89.1Confident93.7Very high9 Ų970 Ų709%0.09338%0.383CS..SBendtrans68.6-96.3-175.400000112.3A62G39-A62 WeakPolarHBondContact O-CB 3.49Å; G39-A62 PolarHBondContact O-N 3.2Å
40A92.3Very high93.2Very high29 Ų2975 Ų7524%0.2440%0.402CS..EExtended strand (participates in β ladder)trans-156.1154.9171.500000111.9I38 W59 D60 Y74I38-A40 PolarHBondContact O-N 2.87Å; A40-W59 HydrophobicContact CB-CE3 4.13Å; A40-D60 CarbonylContact C-O 3.6Å; A40-D60 WeakPolarHBondContact CA-O 3.2Å; A40-D60 WeakPolarHBondContact CB-O 3.27Å; A40-Y74 HydrophobicContact CB-CD1 3.76Å; A40-Y74 HydrophobicContact CB-CD2 4.15Å; A40-Y74 HydrophobicContact CB-CE1 3.33Å; A40-Y74 HydrophobicContact CB-CE2 3.76Å; A40-Y74 HydrophobicContact CB-CG 4.17Å; A40-Y74 PolarHBondContact N-OH 3.3Å
41S95Very high92.7Very high51 Ų5177.6 Ų77.636%0.35742%0.42SS..EExtended strand (participates in β ladder)trans-108.8149.9168-174.90000110.4W59 D60S41-W59 WeakPolarHBondContact O-CA 3.44Å; S41-D60 PolarHBondContact N-O 3.39Å; S41-D60 PolarHBondContact O-N 3.48Å
42F96.5Very high92.6Very high99 Ų9977.5 Ų77.543%0.43442%0.417SS..EExtended strand (participates in β ladder)trans-118.7125178178.9-104.3000110.3T44 L57 I58 W59F42-T44 HydrophobicContact CE1-CG2 3.58Å; F42-T44 HydrophobicContact CZ-CG2 3.58Å; F42-L57 HydrophobicContact CE2-CB 3.83Å; F42-L57 HydrophobicContact CZ-CB 4Å; F42-L57 HydrophobicContact CZ-CD2 4.14Å; F42-I58 WeakPolarHBondContact CA-O 3.29Å; F42-I58 WeakPolarHBondContact CD2-O 3.41Å; F42-W59 HydrophobicContact CD2-CD2 4.07Å; F42-W59 AromaticContact CD2-CE2 3.67Å; F42-W59 HydrophobicContact CD2-CG 4.33Å; F42-W59 HydrophobicContact CD2-CZ2 4.02Å; F42-W59 AromaticContact CD2-NE1 3.65Å; F42-W59 AromaticContact CE2-NE1 3.75Å
43M97.5Very high92.7Very high34 Ų3475.7 Ų75.717%0.16740%0.4CS..EExtended strand (participates in β ladder)trans-132.2157.3178.1-55.6-133.9-81.400110.8V22 V26 I58V22-M43 HydrophobicContact CB-CE 4Å; V22-M43 HydrophobicContact CG1-CB 4.15Å; V22-M43 HydrophobicContact CG1-CE 3.38Å; V22-M43 HydrophobicContact CG1-CG 4.24Å; V26-M43 HydrophobicContact CB-CE 3.99Å; V26-M43 HydrophobicContact CG1-CE 4.44Å; V26-M43 HydrophobicContact CG1-SD 4.45Å; V26-M43 HydrophobicContact CG2-CB 4.05Å; V26-M43 HydrophobicContact CG2-CE 4.04Å; M43-I58 PolarHBondContact N-O 3.01Å; M43-I58 PolarHBondContact O-N 3.21Å
44T97.9Very high92.9Very high70 Ų7069.7 Ų69.743%0.42937%0.368SS..EExtended strand (participates in β ladder)trans-131.3139.6176.1620000111.3F42 F56 L57F42-T44 HydrophobicContact CE1-CG2 3.58Å; F42-T44 HydrophobicContact CZ-CG2 3.58Å; T44-F56 VanDerWaalsContact CA-O 3.23Å; T44-F56 WeakPolarHBondContact CA-O 3.34Å; T44-L57 HydrophobicContact CG2-CD2 3.84Å
45K97.4Very high93.1Very high54 Ų5469.5 Ų69.524%0.23537%0.365CS..EExtended strand (participates in β ladder)trans-139.7136.3168.8176.9166.8176.1-173.70109.7F25 V26 V47 F56F25-K45 HydrophobicContact CD1-CB 4.31Å; F25-K45 HydrophobicContact CD1-CD 3.93Å; F25-K45 HydrophobicContact CD2-CD 4.3Å; F25-K45 HydrophobicContact CE1-CB 3.88Å; F25-K45 HydrophobicContact CE1-CD 3.76Å; F25-K45 HydrophobicContact CE1-CG 4.06Å; F25-K45 HydrophobicContact CE2-CD 4.13Å; F25-K45 HydrophobicContact CG-CD 4.21Å; F25-K45 HydrophobicContact CZ-CD 3.86Å; F25-K45 HydrophobicContact CZ-CG 4.27Å; F25-K45 WeakPolarHBondContact O-CD 3.38Å; F25-K45 WeakPolarHBondContact O-CE 3.47Å; F25-K45 PolarHBondContact O-NZ 3.4Å; V26-K45 HydrophobicContact CG2-CB 4.18Å; K45-V47 HydrophobicContact CD-CG1 4.18Å; K45-V47 HydrophobicContact CG-CG1 3.99Å; K45-F56 PolarHBondContact N-O 3.39Å; K45-F56 PolarHBondContact O-N 3.32Å
46T96.9Very high93.5Very high68 Ų6862.9 Ų62.942%0.41733%0.329SS..EExtended strand (participates in β ladder)trans-104.8128.2171-52.80000108.7M53 H54 K55T46-M53 HydrophobicContact CG2-CB 4.23Å; T46-M53 HydrophobicContact CG2-CE 3.63Å; T46-H54 CarbonylContact C-O 3.51Å; T46-H54 VanDerWaalsContact CA-O 3.29Å; T46-H54 WeakPolarHBondContact CA-O 3.07Å; T46-K55 HydrophobicContact CG2-CB 4.34Å
47V94.6Very high93.8Very high24 Ų2461 Ų6115%0.14532%0.315CS..EExtended strand (participates in β ladder)trans-121.1150.3173.4-53.20000109.5F25 K45 H54 F56F25-V47 HydrophobicContact CE2-CG1 4.26Å; F25-V47 HydrophobicContact CZ-CG1 3.88Å; K45-V47 HydrophobicContact CD-CG1 4.18Å; K45-V47 HydrophobicContact CG-CG1 3.99Å; V47-H54 HydrophobicContact CG2-CB 4.03Å; V47-H54 PolarHBondContact N-O 2.94Å; V47-H54 PolarHBondContact O-N 3.26Å; V47-F56 HydrophobicContact CG1-CE2 4.47Å; V47-F56 HydrophobicContact CG2-CD2 4.41Å; V47-F56 HydrophobicContact CG2-CE2 3.62Å
48Q92.5Very high94.3Very high122 Ų12259.8 Ų59.857%0.5731%0.308SS*.EExtended strand (participates in β ladder)trans-86.4124.8167.4-172.4178.6-14.500108.2M53Q48-M53 HydrophobicContact CB-SD 3.77Å; Q48-M53 HydrophobicContact CG-SD 3.97Å
49Y88.6Confident94.7Very high55 Ų5557.1 Ų57.122%0.21629%0.289CS..EExtended strand (participates in β ladder)trans-128.8121.9172.7-176.1-115.2000108.4N51 E52 H54 V160 E164Y49-N51 PolarHBondContact O-N 2.97Å; Y49-E52 PolarHBondContact N-O 2.73Å; Y49-E52 PolarHBondContact O-N 3.47Å; Y49-E52 VanDerWaalsContact O-O 3.04Å; Y49-H54 AromaticContact CD1-CE1 3.71Å; Y49-V160 HydrophobicContact CD2-CG1 3.71Å; Y49-V160 HydrophobicContact CD2-CG2 4.37Å; Y49-V160 HydrophobicContact CE1-CG1 4.36Å; Y49-V160 HydrophobicContact CE2-CG1 3.34Å; Y49-V160 HydrophobicContact CG-CG1 4.4Å; Y49-E164 HydrophobicContact CE1-CG 4.21Å; Y49-E164 PolarHBondContact OH-OE1 3.27Å
50Q86.4Confident95.1Very high143 Ų14357 Ų5767%0.66829%0.287SS*.THydrogen-bonded Turntrans51.7-123.1-169.9-53.8179.91.900111.3
51N88.6Confident95.2Very high132 Ų13255.8 Ų55.871%0.70628%0.276SS*.THydrogen-bonded Turntrans-101.514.2178.9-72.5-14.4000113.3Y49Y49-N51 PolarHBondContact O-N 2.97Å
52E93.2Very high95Very high79 Ų7953.6 Ų53.637%0.36926%0.261SS..EExtended strand (participates in β ladder)trans-119.4154.9-179.8-60.9-166.1174.100112.1A2 Y49 H54A2-E52 HydrophobicContact CB-CG 4.38Å; Y49-E52 PolarHBondContact N-O 2.73Å; Y49-E52 PolarHBondContact O-N 3.47Å; Y49-E52 VanDerWaalsContact O-O 3.04Å; E52-H54 IonicContact OE2-NE2 3.75Å
53M95.2Very high94.3Very high58 Ų5849.4 Ų49.429%0.28625%0.246SC..EExtended strand (participates in β ladder)trans-99.8119.5170.3-65.3-61.5-76.600108.3M1 A2 L3 R4 T46 Q48M1-M53 HydrophobicContact CB-CG 4.37Å; A2-M53 PolarHBondContact O-N 2.81Å; L3-M53 CarbonylContact C-O 3.59Å; L3-M53 WeakPolarHBondContact CA-O 3.3Å; L3-M53 HydrophobicContact CD1-CB 3.79Å; R4-M53 PolarHBondContact N-O 2.87Å; T46-M53 HydrophobicContact CG2-CB 4.23Å; T46-M53 HydrophobicContact CG2-CE 3.63Å; Q48-M53 HydrophobicContact CB-SD 3.77Å; Q48-M53 HydrophobicContact CG-SD 3.97Å
54H95.9Very high93.8Very high4 Ų449.5 Ų49.52%0.01925%0.246CC..EExtended strand (participates in β ladder)trans-101.2113177.7-72.3-163.8000108.8R4 L6 T46 V47 Y49 E52 F56 S163R4-H54 CarbonylContact O-C 3.59Å; R4-H54 WeakPolarHBondContact O-CA 3.47Å; L6-H54 HydrophobicContact CD1-CB 4.03Å; T46-H54 CarbonylContact C-O 3.51Å; T46-H54 VanDerWaalsContact CA-O 3.29Å; T46-H54 WeakPolarHBondContact CA-O 3.07Å; V47-H54 HydrophobicContact CG2-CB 4.03Å; V47-H54 PolarHBondContact N-O 2.94Å; V47-H54 PolarHBondContact O-N 3.26Å; Y49-H54 AromaticContact CD1-CE1 3.71Å; E52-H54 IonicContact OE2-NE2 3.75Å; H54-F56 HydrophobicContact CB-CE2 4.09Å; H54-F56 HydrophobicContact CB-CZ 4.34Å; H54-S163 PolarHBondContact CE1-O 3.25Å; H54-S163 VanDerWaalsContact ND1-CB 3.31Å; H54-S163 WeakPolarHBondContact ND1-CB 3.35Å; H54-S163 PolarHBondContact ND1-OG 3.13Å
55K97.4Very high93Very high59 Ų5954.4 Ų54.426%0.25726%0.264SS..EExtended strand (participates in β ladder)trans-100.7109.5175.7177177.5168.7-154.50109.7L3 R4 E5 L6 T46 L57L3-K55 HydrophobicContact CD1-CB 3.94Å; R4-K55 PolarHBondContact O-N 2.84Å; E5-K55 CarbonylContact C-O 3.5Å; E5-K55 WeakPolarHBondContact CA-O 3.48Å; E5-K55 HydrophobicContact CG-CB 4.29Å; E5-K55 HydrophobicContact CG-CD 4.25Å; E5-K55 WeakPolarHBondContact OE1-CD 3.25Å; E5-K55 WeakPolarHBondContact OE1-CE 3.11Å; E5-K55 IonicContact OE1-NZ 3.78Å; E5-K55 PolarHBondContact OE1-NZ 3.29Å; L6-K55 PolarHBondContact N-O 2.85Å; T46-K55 HydrophobicContact CG2-CB 4.34Å; K55-L57 HydrophobicContact CG-CD2 4.29Å
56F98.4Very high92.6Very high0 Ų060.5 Ų60.50%029%0.285CS..EExtended strand (participates in β ladder)trans-83.3129.6176.4-63.3-83.4000110.7L6 V8 F25 T44 K45 V47 H54 I58 F159L6-F56 HydrophobicContact CB-CD1 4.21Å; L6-F56 HydrophobicContact CB-CE1 4.47Å; L6-F56 HydrophobicContact CD1-CE1 4.4Å; L6-F56 CarbonylContact O-C 3.59Å; L6-F56 WeakPolarHBondContact O-CA 3.47Å; V8-F56 HydrophobicContact CG2-CD1 3.84Å; V8-F56 HydrophobicContact CG2-CE1 4.47Å; F25-F56 HydrophobicContact CE1-CB 4.47Å; F25-F56 AromaticContact CE1-CD2 3.88Å; F25-F56 HydrophobicContact CE1-CD2 3.88Å; F25-F56 HydrophobicContact CE1-CE2 4.39Å; F25-F56 HydrophobicContact CE1-CG 4.25Å; F25-F56 AromaticContact CZ-CD2 3.82Å; F25-F56 HydrophobicContact CZ-CD2 3.82Å; F25-F56 AromaticContact CZ-CE2 3.9Å; F25-F56 HydrophobicContact CZ-CE2 3.9Å; T44-F56 VanDerWaalsContact CA-O 3.23Å; T44-F56 WeakPolarHBondContact CA-O 3.34Å; K45-F56 PolarHBondContact N-O 3.39Å; K45-F56 PolarHBondContact O-N 3.32Å; V47-F56 HydrophobicContact CG1-CE2 4.47Å; V47-F56 HydrophobicContact CG2-CD2 4.41Å; V47-F56 HydrophobicContact CG2-CE2 3.62Å; H54-F56 HydrophobicContact CB-CE2 4.09Å; H54-F56 HydrophobicContact CB-CZ 4.34Å; F56-I58 HydrophobicContact CB-CD1 4Å; F56-I58 HydrophobicContact CB-CG1 3.73Å; F56-F159 HydrophobicContact CD1-CD1 4.17Å; F56-F159 HydrophobicContact CE1-CB 4.33Å; F56-F159 HydrophobicContact CE1-CD1 4.33Å; F56-F159 WeakPolarHBondContact CE1-O 3.5Å; F56-F159 HydrophobicContact CG-CD1 4.48Å; F56-F159 HydrophobicContact CZ-CB 4.12Å; F56-F159 WeakPolarHBondContact CZ-O 3.41Å
57L98.3Very high92.1Very high38 Ų3859.1 Ų59.120%0.19927%0.274CS..EExtended strand (participates in β ladder)trans-107.395.2170.6-49.7177.3000107.1L6 K7 V8 F42 T44 K55L6-L57 PolarHBondContact O-N 3.06Å; K7-L57 WeakPolarHBondContact CA-O 3.45Å; K7-L57 HydrophobicContact CB-CB 4.49Å; V8-L57 PolarHBondContact N-O 3.17Å; F42-L57 HydrophobicContact CE2-CB 3.83Å; F42-L57 HydrophobicContact CZ-CB 4Å; F42-L57 HydrophobicContact CZ-CD2 4.14Å; T44-L57 HydrophobicContact CG2-CD2 3.84Å; K55-L57 HydrophobicContact CG-CD2 4.29Å
58I98.6Very high91.8Very high0 Ų060.9 Ų60.90%028%0.278CS..EExtended strand (participates in β ladder)trans-101.2122.9-163.2-50.4167.7000110.3V8 L10 V22 F25 V26 F42 M43 F56 F159V8-I58 CarbonylContact O-C 3.48Å; V8-I58 WeakPolarHBondContact O-CA 3.37Å; L10-I58 HydrophobicContact CD1-CG2 3.36Å; V22-I58 HydrophobicContact CG1-CB 4.29Å; V22-I58 HydrophobicContact CG1-CD1 4.2Å; V22-I58 HydrophobicContact CG1-CG2 3.75Å; V22-I58 HydrophobicContact CG2-CG2 3.9Å; F25-I58 HydrophobicContact CD1-CD1 3.71Å; F25-I58 HydrophobicContact CE1-CD1 3.92Å; V26-I58 HydrophobicContact CG2-CD1 3.88Å; F42-I58 WeakPolarHBondContact CA-O 3.29Å; F42-I58 WeakPolarHBondContact CD2-O 3.41Å; M43-I58 PolarHBondContact N-O 3.01Å; M43-I58 PolarHBondContact O-N 3.21Å; F56-I58 HydrophobicContact CB-CD1 4Å; F56-I58 HydrophobicContact CB-CG1 3.73Å; I58-F159 HydrophobicContact CD1-CE1 3.79Å; I58-F159 HydrophobicContact CD1-CZ 4.3Å; I58-F159 HydrophobicContact CG1-CE1 4.18Å; I58-F159 HydrophobicContact CG2-CE1 4.44Å
59W98.1Very high91.6Very high71 Ų7159.5 Ų59.527%0.26929%0.288SS..EExtended strand (participates in β ladder)trans-101.8104.9171.8-7082.2000109.8V8 C9 L10 A40 S41 F42 Y74V8-W59 PolarHBondContact O-N 3.45Å; C9-W59 CarbonylContact C-O 3.46Å; C9-W59 WeakPolarHBondContact CA-O 3.32Å; C9-W59 HydrophobicContact CB-CB 4.18Å; L10-W59 PolarHBondContact N-O 3.32Å; A40-W59 HydrophobicContact CB-CE3 4.13Å; S41-W59 WeakPolarHBondContact O-CA 3.44Å; F42-W59 HydrophobicContact CD2-CD2 4.07Å; F42-W59 AromaticContact CD2-CE2 3.67Å; F42-W59 HydrophobicContact CD2-CG 4.33Å; F42-W59 HydrophobicContact CD2-CZ2 4.02Å; F42-W59 AromaticContact CD2-NE1 3.65Å; F42-W59 AromaticContact CE2-NE1 3.75Å; W59-Y74 HydrophobicContact CD2-CD1 4.28Å; W59-Y74 AromaticContact CE3-CD1 3.47Å; W59-Y74 HydrophobicContact CE3-CD1 3.47Å; W59-Y74 VanDerWaalsContact CE3-CD1 3.47Å; W59-Y74 AromaticContact CE3-CE1 3.98Å; W59-Y74 HydrophobicContact CE3-CE1 3.98Å; W59-Y74 HydrophobicContact CE3-CG 4.42Å; W59-Y74 AromaticContact CZ3-CD1 3.75Å; W59-Y74 HydrophobicContact CZ3-CD1 3.75Å; W59-Y74 AromaticContact CZ3-CE1 3.89Å; W59-Y74 HydrophobicContact CZ3-CE1 3.89Å
60D96.9Very high91.8Very high8 Ų860.2 Ų60.24%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-82.8108.6168.3175.342.6000109K18 S19 V22 T37 A40 S41K18-D60 VanDerWaalsContact CB-OD1 3.3Å; K18-D60 WeakPolarHBondContact CB-OD1 3.33Å; S19-D60 VanDerWaalsContact CB-OD2 3.29Å; S19-D60 WeakPolarHBondContact CB-OD2 3.38Å; S19-D60 PolarHBondContact N-OD1 2.88Å; S19-D60 PolarHBondContact OG-OD1 2.89Å; S19-D60 PolarHBondContact OG-OD2 3.06Å; V22-D60 HydrophobicContact CG2-CB 4.14Å; T37-D60 PolarHBondContact OG1-OD2 3.44Å; A40-D60 CarbonylContact C-O 3.6Å; A40-D60 WeakPolarHBondContact CA-O 3.2Å; A40-D60 WeakPolarHBondContact CB-O 3.27Å; S41-D60 PolarHBondContact N-O 3.39Å; S41-D60 PolarHBondContact O-N 3.48Å
61T94.7Very high92Very high2 Ų253.6 Ų53.61%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-91.5152.2-177.178.80000112L10 L11 K18 G63 Y74L10-T61 WeakPolarHBondContact O-CG2 3.23Å; L10-T61 PolarHBondContact O-N 3.3Å; L10-T61 PolarHBondContact O-OG1 2.9Å; L11-T61 HydrophobicContact CD2-CG2 4.11Å; K18-T61 WeakPolarHBondContact CE-O 3.18Å; T61-G63 PolarHBondContact O-N 2.75Å; T61-Y74 HydrophobicContact CG2-CD2 3.57Å; T61-Y74 HydrophobicContact CG2-CE2 4.46Å; T61-Y74 HydrophobicContact CG2-CG 3.78Å
62A91.1Very high92.3Very high5 Ų549.9 Ų49.94%0.04125%0.248CC..  trans-62.2137.7167.500000110.1T37 G39 F67T37-A62 VanDerWaalsContact O-CB 3.25Å; T37-A62 WeakPolarHBondContact O-CB 3.39Å; G39-A62 WeakPolarHBondContact O-CB 3.49Å; G39-A62 PolarHBondContact O-N 3.2Å; A62-F67 HydrophobicContact CB-CB 3.92Å; A62-F67 HydrophobicContact CB-CD2 3.64Å; A62-F67 HydrophobicContact CB-CG 4.09Å
63G81.7Confident92.3Very high11 Ų1151.4 Ų51.411%0.11326%0.256CS..  trans-96.19.1172.100000113.3G12 T14 T61G12-G63 WeakPolarHBondContact O-CA 3.46Å; T14-G63 PolarHBondContact N-O 2.75Å; T14-G63 VanDerWaalsContact N-O 3.14Å; T14-G63 PolarHBondContact OG1-O 2.98Å; T61-G63 PolarHBondContact O-N 2.75Å
64Q87.6Confident92.2Very high37 Ų3749.7 Ų49.717%0.17325%0.246CC..SBendtrans-81.8132.7-179.7-57.6172.534.400108.3T14 T37 R66 F67 R68T14-Q64 HydrophobicContact CG2-CG 4.35Å; T14-Q64 WeakPolarHBondContact OG1-CA 3.47Å; T14-Q64 WeakPolarHBondContact OG1-CG 3.41Å; T14-Q64 PolarHBondContact OG1-N 2.68Å; T14-Q64 VanDerWaalsContact OG1-N 3.07Å; T37-Q64 PolarHBondContact O-NE2 3.01Å; Q64-R66 HydrophobicContact CB-CG 4.16Å; Q64-R66 PolarHBondContact O-N 2.94Å; Q64-R66 VanDerWaalsContact O-N 3.13Å; Q64-F67 HydrophobicContact CB-CD2 3.95Å; Q64-F67 PolarHBondContact O-N 3.02Å; Q64-R68 PolarHBondContact O-N 2.83Å
65E81.6Confident92.2Very high172 Ų17249.6 Ų49.680%0.80425%0.246SC*.G310 helixtrans-50.6-41.2-178.5-171.6-161176.200112.9F67 R68E65-F67 PolarHBondContact O-N 2.78Å; E65-R68 WeakPolarHBondContact O-CB 3.41Å; E65-R68 PolarHBondContact O-N 2.95Å
66R87.6Confident92Very high182 Ų18256.3 Ų56.369%0.68727%0.27SS*.G310 helixtrans-57.8-21.4177.867.6176.6174.7170.4-0.5114.7Q64Q64-R66 HydrophobicContact CB-CG 4.16Å; Q64-R66 PolarHBondContact O-N 2.94Å; Q64-R66 VanDerWaalsContact O-N 3.13Å
67F88.1Confident91.9Very high39 Ų3959.1 Ų59.117%0.17130%0.299CS..G310 helixtrans-103.4-0.1176.4-60.9-58000112.8I38 A62 Q64 E65 A69 L70I38-F67 HydrophobicContact CG2-CE1 4.5Å; I38-F67 HydrophobicContact CG2-CE2 4.28Å; I38-F67 HydrophobicContact CG2-CZ 3.82Å; A62-F67 HydrophobicContact CB-CB 3.92Å; A62-F67 HydrophobicContact CB-CD2 3.64Å; A62-F67 HydrophobicContact CB-CG 4.09Å; Q64-F67 HydrophobicContact CB-CD2 3.95Å; Q64-F67 PolarHBondContact O-N 3.02Å; E65-F67 PolarHBondContact O-N 2.78Å; F67-A69 VanDerWaalsContact C-N 3.28Å; F67-A69 PolarHBondContact O-N 3.38Å; F67-L70 HydrophobicContact CB-CD1 4.49Å; F67-L70 HydrophobicContact CD1-CD1 4.03Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.29Å; F67-L70 PolarHBondContact O-N 2.89Å
68R86.6Confident91.8Very high61 Ų6157.5 Ų57.523%0.2329%0.291CS..G310 helixtrans-58-38.9-177.2-174.3168.4-166.2127.410112.6Q64 E65 L70 A71 W99 E102Q64-R68 PolarHBondContact O-N 2.83Å; E65-R68 WeakPolarHBondContact O-CB 3.41Å; E65-R68 PolarHBondContact O-N 2.95Å; R68-L70 PolarHBondContact O-N 3.17Å; R68-A71 VanDerWaalsContact O-CB 3.27Å; R68-A71 WeakPolarHBondContact O-CB 3.46Å; R68-A71 PolarHBondContact O-N 3.04Å; R68-W99 HydrophobicContact CB-CH2 4.42Å; R68-W99 HydrophobicContact CG-CH2 3.74Å; R68-W99 HydrophobicContact CG-CZ2 4.3Å; R68-W99 HydrophobicContact CG-CZ3 4.26Å; R68-E102 IonicContact CZ-OE2 2.68Å; R68-E102 IonicContact NE-OE2 3.02Å; R68-E102 PolarHBondContact NE-OE2 3.44Å; R68-E102 IonicContact NH2-OE2 2.73Å; R68-E102 PolarHBondContact NH2-OE2 3.33Å
69A89.5Confident91.8Very high94 Ų9459.7 Ų59.778%0.77731%0.308SS*.G310 helixtrans-60.9-16.2176.300000113.9F67F67-A69 VanDerWaalsContact C-N 3.28Å; F67-A69 PolarHBondContact O-N 3.38Å
70L91.9Very high91.8Very high70 Ų7056.3 Ų56.337%0.36630%0.295SS..G310 helixtrans-86.9-19175.2-57.5179.2000112.6F67 R68 P72 M73 Y74F67-L70 HydrophobicContact CB-CD1 4.49Å; F67-L70 HydrophobicContact CD1-CD1 4.03Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.29Å; F67-L70 PolarHBondContact O-N 2.89Å; R68-L70 PolarHBondContact O-N 3.17Å; L70-P72 VanDerWaalsContact C-N 3.28Å; L70-P72 VanDerWaalsContact O-N 3.09Å; L70-M73 HydrophobicContact CB-SD 3.85Å; L70-M73 HydrophobicContact CD2-SD 4.06Å; L70-M73 HydrophobicContact CG-SD 4.41Å; L70-M73 WeakPolarHBondContact O-CB 3.29Å; L70-M73 WeakPolarHBondContact O-CG 3.42Å; L70-M73 PolarHBondContact O-N 2.91Å; L70-Y74 HydrophobicContact CB-CE2 3.84Å
71A91.2Very high91.9Very high3 Ų355.9 Ų55.93%0.02529%0.293CS..Hα-helixtrans-48.5-40.8-177.900000114.5L11 R68 M73 Y74 Y75 W99L11-A71 HydrophobicContact CD2-CB 4.37Å; R68-A71 VanDerWaalsContact O-CB 3.27Å; R68-A71 WeakPolarHBondContact O-CB 3.46Å; R68-A71 PolarHBondContact O-N 3.04Å; A71-M73 PolarHBondContact O-N 3.12Å; A71-M73 VanDerWaalsContact O-N 3.13Å; A71-Y74 PolarHBondContact O-N 2.88Å; A71-Y75 VanDerWaalsContact C-CE1 3.43Å; A71-Y75 HydrophobicContact CB-CD1 4.38Å; A71-Y75 HydrophobicContact CB-CE1 4.05Å; A71-Y75 WeakPolarHBondContact O-CD1 3.35Å; A71-Y75 WeakPolarHBondContact O-CE1 3.08Å; A71-Y75 PolarHBondContact O-N 3.01Å; A71-W99 HydrophobicContact CB-CH2 3.96Å; A71-W99 HydrophobicContact CB-CZ3 3.54Å
72P93.7Very high92.1Very high55 Ų5555.8 Ų55.836%0.35729%0.293SS..Hα-helixtrans-55.4-30.8175.7-22.930.9000115.6L70 Y74 Y75 R76L70-P72 VanDerWaalsContact C-N 3.28Å; L70-P72 VanDerWaalsContact O-N 3.09Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 2.81Å; P72-Y75 WeakPolarHBondContact CA-OH 3.23Å; P72-Y75 HydrophobicContact CB-CE1 4.41Å; P72-Y75 HydrophobicContact CB-CE2 4.19Å; P72-Y75 WeakPolarHBondContact CB-OH 3.47Å; P72-Y75 HydrophobicContact CG-CE1 4.4Å; P72-Y75 WeakPolarHBondContact CG-OH 3.38Å; P72-R76 WeakPolarHBondContact O-CB 3.36Å; P72-R76 PolarHBondContact O-N 3.26Å
73M93.8Very high92.4Very high111 Ų11155.6 Ų55.655%0.54729%0.291SS..Hα-helixtrans-70.3-29.9178.588.1-165.5-83.200112.1L70 A71L70-M73 HydrophobicContact CB-SD 3.85Å; L70-M73 HydrophobicContact CD2-SD 4.06Å; L70-M73 HydrophobicContact CG-SD 4.41Å; L70-M73 WeakPolarHBondContact O-CB 3.29Å; L70-M73 WeakPolarHBondContact O-CG 3.42Å; L70-M73 PolarHBondContact O-N 2.91Å; A71-M73 PolarHBondContact O-N 3.12Å; A71-M73 VanDerWaalsContact O-N 3.13Å
74Y93.6Very high93.3Very high22 Ų2255 Ų559%0.08629%0.285CS..Hα-helixtrans-84.9-44.8-173.6-58.1-52.3000111.9K7 A40 W59 T61 L70 A71 P72 R76 S78K7-Y74 WeakPolarHBondContact CE-O 3.44Å; K7-Y74 PolarHBondContact NZ-O 3.47Å; A40-Y74 HydrophobicContact CB-CD1 3.76Å; A40-Y74 HydrophobicContact CB-CD2 4.15Å; A40-Y74 HydrophobicContact CB-CE1 3.33Å; A40-Y74 HydrophobicContact CB-CE2 3.76Å; A40-Y74 HydrophobicContact CB-CG 4.17Å; A40-Y74 PolarHBondContact N-OH 3.3Å; W59-Y74 HydrophobicContact CD2-CD1 4.28Å; W59-Y74 AromaticContact CE3-CD1 3.47Å; W59-Y74 HydrophobicContact CE3-CD1 3.47Å; W59-Y74 VanDerWaalsContact CE3-CD1 3.47Å; W59-Y74 AromaticContact CE3-CE1 3.98Å; W59-Y74 HydrophobicContact CE3-CE1 3.98Å; W59-Y74 HydrophobicContact CE3-CG 4.42Å; W59-Y74 AromaticContact CZ3-CD1 3.75Å; W59-Y74 HydrophobicContact CZ3-CD1 3.75Å; W59-Y74 AromaticContact CZ3-CE1 3.89Å; W59-Y74 HydrophobicContact CZ3-CE1 3.89Å; T61-Y74 HydrophobicContact CG2-CD2 3.57Å; T61-Y74 HydrophobicContact CG2-CE2 4.46Å; T61-Y74 HydrophobicContact CG2-CG 3.78Å; L70-Y74 HydrophobicContact CB-CE2 3.84Å; A71-Y74 PolarHBondContact O-N 2.88Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 2.81Å; Y74-R76 VanDerWaalsContact C-N 3.29Å; Y74-R76 PolarHBondContact O-N 3Å; Y74-S78 PolarHBondContact O-OG 2.8Å
75Y95.1Very high93.8Very high2 Ų253.3 Ų53.31%0.00828%0.277CS..Hα-helixtrans-79.6-7.9177.961.4-117.1000114.1C9 L11 A71 P72 G77 S78 L103 H106 P108C9-Y75 WeakPolarHBondContact SG-CB 3.47Å; L11-Y75 HydrophobicContact CD1-CD1 4.13Å; L11-Y75 HydrophobicContact CD2-CD1 4.46Å; A71-Y75 VanDerWaalsContact C-CE1 3.43Å; A71-Y75 HydrophobicContact CB-CD1 4.38Å; A71-Y75 HydrophobicContact CB-CE1 4.05Å; A71-Y75 WeakPolarHBondContact O-CD1 3.35Å; A71-Y75 WeakPolarHBondContact O-CE1 3.08Å; A71-Y75 PolarHBondContact O-N 3.01Å; P72-Y75 WeakPolarHBondContact CA-OH 3.23Å; P72-Y75 HydrophobicContact CB-CE1 4.41Å; P72-Y75 HydrophobicContact CB-CE2 4.19Å; P72-Y75 WeakPolarHBondContact CB-OH 3.47Å; P72-Y75 HydrophobicContact CG-CE1 4.4Å; P72-Y75 WeakPolarHBondContact CG-OH 3.38Å; Y75-G77 PolarHBondContact O-N 2.86Å; Y75-G77 VanDerWaalsContact O-N 3.14Å; Y75-S78 WeakPolarHBondContact CA-OG 3.45Å; Y75-S78 WeakPolarHBondContact O-CB 3.42Å; Y75-S78 PolarHBondContact O-N 2.6Å; Y75-S78 PolarHBondContact O-OG 2.73Å; Y75-L103 HydrophobicContact CD1-CD1 3.78Å; Y75-L103 HydrophobicContact CD2-CD1 3.86Å; Y75-L103 HydrophobicContact CE1-CD1 4.29Å; Y75-L103 HydrophobicContact CE2-CD1 4.36Å; Y75-L103 HydrophobicContact CG-CD1 3.53Å; Y75-H106 HydrophobicContact CE2-CB 4.28Å; Y75-H106 VanDerWaalsContact OH-CB 3.25Å; Y75-H106 WeakPolarHBondContact OH-CB 3.49Å; Y75-P108 WeakPolarHBondContact O-CD 3.43Å; Y75-P108 WeakPolarHBondContact O-CG 3.41Å
76R95.1Very high94.6Very high200 Ų20045.1 Ų45.176%0.75524%0.239SC*.THydrogen-bonded Turntrans-58.3119.1174.4-178.9176.8-178.7169.51.6110.7K7 P72 Y74 S78K7-R76 PolarHBondContact NZ-O 2.82Å; P72-R76 WeakPolarHBondContact O-CB 3.36Å; P72-R76 PolarHBondContact O-N 3.26Å; Y74-R76 VanDerWaalsContact C-N 3.29Å; Y74-R76 PolarHBondContact O-N 3Å; R76-S78 PolarHBondContact O-N 3.22Å
77G94.8Very high95.1Very high59 Ų5936.5 Ų36.561%0.60821%0.206SC*.THydrogen-bonded Turntrans71.412.4-179.300000114.4Y75Y75-G77 PolarHBondContact O-N 2.86Å; Y75-G77 VanDerWaalsContact O-N 3.14Å
78S97.6Very high95.6Very high4 Ų435.5 Ų35.53%0.02820%0.204CC..  trans-67.5137.8168.5-70.30000110.5K7 Y74 Y75 R76K7-S78 WeakPolarHBondContact CE-OG 3.39Å; K7-S78 CarbonylContact O-C 3.54Å; K7-S78 WeakPolarHBondContact O-CA 3.49Å; Y74-S78 PolarHBondContact O-OG 2.8Å; Y75-S78 WeakPolarHBondContact CA-OG 3.45Å; Y75-S78 WeakPolarHBondContact O-CB 3.42Å; Y75-S78 PolarHBondContact O-N 2.6Å; Y75-S78 PolarHBondContact O-OG 2.73Å; R76-S78 PolarHBondContact O-N 3.22Å
79A97.6Very high96.2Very high45 Ų4537.8 Ų37.837%0.37222%0.215SC..SBendtrans-76-33169.800000111K7 V112K7-A79 PolarHBondContact O-N 3.16Å; A79-V112 PolarHBondContact O-N 2.8Å
80A98.3Very high96.6Very high0 Ų038.2 Ų38.20%020%0.201CC..EExtended strand (participates in β ladder)trans-141.5156.1179.100000112.9K7 V8 C9 V112 I162K7-A80 PolarHBondContact O-N 3.4Å; V8-A80 WeakPolarHBondContact CA-O 3.36Å; V8-A80 HydrophobicContact CG2-CB 4.37Å; C9-A80 PolarHBondContact N-O 3.42Å; A80-V112 CarbonylContact C-O 3.59Å; A80-V112 WeakPolarHBondContact CA-O 3.37Å; A80-V112 HydrophobicContact CB-CB 4.01Å; A80-I162 HydrophobicContact CB-CB 3.87Å; A80-I162 HydrophobicContact CB-CD1 3.9Å; A80-I162 HydrophobicContact CB-CG1 4.32Å; A80-I162 HydrophobicContact CB-CG2 4.42Å
81A98.5Very high96.9Very high0 Ų041 Ų410%022%0.217CC..EExtended strand (participates in β ladder)trans-126.6133167.700000110.5C9 L103 I111 V112 A114C9-A81 CarbonylContact O-C 3.36Å; C9-A81 VanDerWaalsContact O-CA 3.27Å; C9-A81 WeakPolarHBondContact O-CA 3.48Å; A81-L103 HydrophobicContact CB-CD2 3.38Å; A81-I111 HydrophobicContact CB-CD1 3.87Å; A81-I111 HydrophobicContact CB-CG1 4.44Å; A81-V112 PolarHBondContact N-O 2.78Å; A81-A114 PolarHBondContact O-N 2.81Å
82I98.8Very high97.3Very high0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-102.8113.2168.9-55.1171.6000107V8 C9 L10 L11 V84 A114 A116 V158 F159 I162V8-I82 HydrophobicContact CG1-CD1 4.14Å; V8-I82 HydrophobicContact CG1-CG1 4.12Å; C9-I82 PolarHBondContact O-N 3.32Å; L10-I82 CarbonylContact C-O 3.57Å; L10-I82 VanDerWaalsContact CA-O 3.27Å; L10-I82 WeakPolarHBondContact CA-O 3.28Å; L10-I82 HydrophobicContact CG-CB 4.28Å; L11-I82 PolarHBondContact N-O 3.04Å; I82-V84 HydrophobicContact CG2-CG2 4.04Å; I82-A114 CarbonylContact C-O 3.55Å; I82-A114 WeakPolarHBondContact CA-O 3.41Å; I82-A114 HydrophobicContact CG1-CB 4.4Å; I82-A116 HydrophobicContact CG2-CB 3.76Å; I82-V158 HydrophobicContact CD1-CG1 4.48Å; I82-V158 HydrophobicContact CD1-CG2 4.3Å; I82-V158 HydrophobicContact CG1-CG2 4.49Å; I82-V158 HydrophobicContact CG2-CG2 4.15Å; I82-F159 HydrophobicContact CD1-CD1 4.09Å; I82-F159 HydrophobicContact CD1-CD2 4.42Å; I82-F159 HydrophobicContact CD1-CE1 3.82Å; I82-F159 HydrophobicContact CD1-CE2 4.19Å; I82-F159 HydrophobicContact CD1-CG 4.39Å; I82-F159 HydrophobicContact CD1-CZ 3.88Å; I82-I162 HydrophobicContact CD1-CD1 3.85Å; I82-I162 HydrophobicContact CG1-CD1 3.91Å
83I98.6Very high97.5Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-100.8115.1179.4-46.8178.2000107.8L11 L96 W99 V100 L103 V113 A114 I115 A116L11-I83 HydrophobicContact CB-CG1 4.36Å; L11-I83 HydrophobicContact CB-CG2 4.36Å; L11-I83 WeakPolarHBondContact O-CA 3.37Å; I83-L96 HydrophobicContact CB-CD1 4.16Å; I83-L96 HydrophobicContact CB-CG 4.34Å; I83-L96 HydrophobicContact CG2-CB 4.31Å; I83-L96 HydrophobicContact CG2-CD1 3.79Å; I83-L96 HydrophobicContact CG2-CG 3.62Å; I83-L96 WeakPolarHBondContact O-CD1 3.12Å; I83-W99 HydrophobicContact CG2-CB 3.79Å; I83-W99 HydrophobicContact CG2-CG 4.48Å; I83-V100 HydrophobicContact CD1-CB 4.31Å; I83-V100 HydrophobicContact CD1-CG2 3.55Å; I83-L103 HydrophobicContact CD1-CD2 4.08Å; I83-V113 HydrophobicContact CD1-CG1 3.91Å; I83-V113 HydrophobicContact CG1-CG1 4.41Å; I83-A114 PolarHBondContact N-O 2.78Å; I83-I115 WeakPolarHBondContact O-CA 3.31Å; I83-A116 PolarHBondContact O-N 3.37Å
84V98.9Very high97.7Very high0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-103.3135.1-168.6-170.10000110.1L10 L11 V16 K18 I21 I82 A116 N118L10-V84 HydrophobicContact CD2-CG2 4.37Å; L11-V84 PolarHBondContact O-N 3.3Å; V16-V84 HydrophobicContact CB-CG1 4.24Å; V16-V84 HydrophobicContact CG2-CB 3.83Å; V16-V84 HydrophobicContact CG2-CG1 3.8Å; K18-V84 HydrophobicContact CG-CB 3.93Å; K18-V84 HydrophobicContact CG-CG2 3.85Å; I21-V84 HydrophobicContact CD1-CG1 3.74Å; I21-V84 HydrophobicContact CD1-CG2 4.03Å; I82-V84 HydrophobicContact CG2-CG2 4.04Å; V84-A116 WeakPolarHBondContact CA-O 3.28Å; V84-A116 HydrophobicContact CG1-CB 4.43Å; V84-A116 HydrophobicContact CG2-CB 4.21Å; V84-N118 HydrophobicContact CG1-CB 3.82Å
85Y98.9Very high97.8Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-125.8166.6165.776.8-79.2000110.3I87 F93 L96 I115 A116 G117 N118 V128 A133 F144Y85-I87 HydrophobicContact CE2-CB 4.46Å; Y85-I87 HydrophobicContact CE2-CG2 3.93Å; Y85-F93 HydrophobicContact CD1-CD2 4.02Å; Y85-F93 HydrophobicContact CD2-CB 3.82Å; Y85-F93 AromaticContact CD2-CD2 3.99Å; Y85-F93 HydrophobicContact CD2-CD2 3.99Å; Y85-F93 HydrophobicContact CD2-CG 4.32Å; Y85-F93 HydrophobicContact CE1-CD2 4.07Å; Y85-F93 HydrophobicContact CE1-CE2 4.44Å; Y85-F93 HydrophobicContact CE2-CB 4.34Å; Y85-F93 HydrophobicContact CE2-CD2 4.07Å; Y85-F93 HydrophobicContact CE2-CG 4.49Å; Y85-F93 HydrophobicContact CG-CB 4.23Å; Y85-F93 AromaticContact CG-CD2 3.97Å; Y85-F93 HydrophobicContact CG-CD2 3.97Å; Y85-L96 HydrophobicContact CD1-CD1 3.67Å; Y85-L96 HydrophobicContact CG-CD1 4.21Å; Y85-I115 HydrophobicContact CD1-CG2 3.98Å; Y85-I115 HydrophobicContact CE1-CG2 3.73Å; Y85-A116 WeakPolarHBondContact CD1-O 3.25Å; Y85-A116 PolarHBondContact N-O 3.23Å; Y85-G117 VanDerWaalsContact CZ-CA 3.44Å; Y85-N118 PolarHBondContact O-N 3.22Å; Y85-V128 HydrophobicContact CD2-CG2 4.37Å; Y85-V128 HydrophobicContact CE2-CB 3.91Å; Y85-V128 HydrophobicContact CE2-CG1 3.82Å; Y85-V128 HydrophobicContact CE2-CG2 4.08Å; Y85-A133 HydrophobicContact CE1-CB 4.24Å; Y85-A133 WeakPolarHBondContact OH-CB 3.26Å; Y85-F144 HydrophobicContact CE1-CE2 4.21Å
86D98.7Very high97.9Very high1 Ų137.7 Ų37.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-100.4120.2176.2-179.2-13.9000108.7V16 T88 K89 S92 K119V16-D86 HydrophobicContact CB-CB 4.38Å; V16-D86 HydrophobicContact CG1-CB 4.32Å; D86-T88 VanDerWaalsContact CG-OG1 3.23Å; D86-T88 PolarHBondContact O-N 3.18Å; D86-T88 VanDerWaalsContact O-N 3.07Å; D86-T88 WeakPolarHBondContact OD1-CB 3.38Å; D86-T88 PolarHBondContact OD1-N 3.33Å; D86-T88 PolarHBondContact OD1-OG1 3.03Å; D86-T88 PolarHBondContact OD2-OG1 3.32Å; D86-K89 HydrophobicContact CB-CB 4.19Å; D86-K89 HydrophobicContact CB-CG 4.36Å; D86-K89 PolarHBondContact O-N 3.46Å; D86-S92 PolarHBondContact N-OG 3.2Å; D86-S92 PolarHBondContact O-OG 3.07Å; D86-K119 WeakPolarHBondContact OD1-CD 3.32Å; D86-K119 VanDerWaalsContact OD2-CE 3.26Å; D86-K119 WeakPolarHBondContact OD2-CE 3.18Å; D86-K119 IonicContact OD2-NZ 2.67Å; D86-K119 PolarHBondContact OD2-NZ 2.9Å
87I98.8Very high98.1Very high0 Ų031.2 Ų31.20%018%0.175CC..THydrogen-bonded Turntrans-62.6-18.7-178.366.9148000113.2Y85 K89 N118 K119 C120 R126 E127 V128Y85-I87 HydrophobicContact CE2-CB 4.46Å; Y85-I87 HydrophobicContact CE2-CG2 3.93Å; I87-K89 VanDerWaalsContact C-N 3.33Å; I87-N118 PolarHBondContact N-O 3.3Å; I87-K119 WeakPolarHBondContact CD1-O 3.41Å; I87-K119 WeakPolarHBondContact CG1-O 3.29Å; I87-C120 HydrophobicContact CD1-CB 4.47Å; I87-R126 HydrophobicContact CD1-CB 4.36Å; I87-R126 HydrophobicContact CD1-CG 4.43Å; I87-E127 PolarHBondContact O-N 3.33Å; I87-V128 PolarHBondContact O-N 2.71Å; I87-V128 VanDerWaalsContact O-N 3.1Å
88T98.7Very high98.2Very high18 Ų1832.7 Ų32.711%0.1117%0.169CC..THydrogen-bonded Turntrans-91.15179.371.30000113.1D86 L122 S125 E127D86-T88 VanDerWaalsContact CG-OG1 3.23Å; D86-T88 PolarHBondContact O-N 3.18Å; D86-T88 VanDerWaalsContact O-N 3.07Å; D86-T88 WeakPolarHBondContact OD1-CB 3.38Å; D86-T88 PolarHBondContact OD1-N 3.33Å; D86-T88 PolarHBondContact OD1-OG1 3.03Å; D86-T88 PolarHBondContact OD2-OG1 3.32Å; T88-L122 HydrophobicContact CG2-CB 3.69Å; T88-L122 HydrophobicContact CG2-CD1 4.04Å; T88-S125 VanDerWaalsContact CA-O 3.25Å; T88-S125 WeakPolarHBondContact CA-O 3.13Å; T88-S125 VanDerWaalsContact CB-O 3.27Å; T88-S125 WeakPolarHBondContact CB-O 3.46Å; T88-S125 WeakPolarHBondContact CG2-O 3.48Å; T88-E127 WeakPolarHBondContact O-CG 3.25Å
89K98.4Very high98.1Very high109 Ų10932.7 Ų32.747%0.47417%0.168SC..  trans-140.3102.2-178.5-62.2-172178.6-171.40111.5D86 I87 D91 S92 E127D86-K89 HydrophobicContact CB-CB 4.19Å; D86-K89 HydrophobicContact CB-CG 4.36Å; D86-K89 PolarHBondContact O-N 3.46Å; I87-K89 VanDerWaalsContact C-N 3.33Å; K89-D91 VanDerWaalsContact C-N 3.29Å; K89-D91 PolarHBondContact O-N 2.97Å; K89-S92 WeakPolarHBondContact O-CB 3.46Å; K89-S92 PolarHBondContact O-N 3.45Å; K89-S92 VanDerWaalsContact O-N 3.08Å; K89-S92 PolarHBondContact O-OG 2.92Å; K89-E127 VanDerWaalsContact CA-OE2 3.29Å; K89-E127 WeakPolarHBondContact CA-OE2 3.29Å
90E98.1Very high98.1Very high103 Ų10330.9 Ų30.948%0.48115%0.153SC..Hα-helixtrans-56.8-41.9-179.9-172.5178.2-169.600112.7S92 F93 Q94 E127 V128E90-S92 PolarHBondContact O-N 3.46Å; E90-S92 VanDerWaalsContact O-N 3.16Å; E90-F93 WeakPolarHBondContact O-CB 3.09Å; E90-F93 PolarHBondContact O-N 2.95Å; E90-Q94 PolarHBondContact O-N 2.81Å; E90-Q94 VanDerWaalsContact O-N 3.14Å; E90-E127 HydrophobicContact CB-CB 4.3Å; E90-E127 PolarHBondContact N-OE2 2.87Å; E90-V128 HydrophobicContact CB-CG2 4.46Å
91D98.1Very high98Very high129 Ų12937.8 Ų37.869%0.6918%0.183SC*.Hα-helixtrans-55.5-36.5178.5-74.8-22000112.5K89 F93 Q94 T95K89-D91 VanDerWaalsContact C-N 3.29Å; K89-D91 PolarHBondContact O-N 2.97Å; D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 2.94Å; D91-Q94 PolarHBondContact O-N 3.32Å; D91-T95 PolarHBondContact O-N 3.1Å; D91-T95 PolarHBondContact O-OG1 3.24Å
92S98.4Very high97.9Very high7 Ų739.3 Ų39.35%0.04919%0.19CC..Hα-helixtrans-66.6-31.7179.4780000112.4D86 K89 E90 L96D86-S92 PolarHBondContact N-OG 3.2Å; D86-S92 PolarHBondContact O-OG 3.07Å; K89-S92 WeakPolarHBondContact O-CB 3.46Å; K89-S92 PolarHBondContact O-N 3.45Å; K89-S92 VanDerWaalsContact O-N 3.08Å; K89-S92 PolarHBondContact O-OG 2.92Å; E90-S92 PolarHBondContact O-N 3.46Å; E90-S92 VanDerWaalsContact O-N 3.16Å; S92-L96 WeakPolarHBondContact O-CB 3.44Å; S92-L96 PolarHBondContact O-N 2.85Å
93F98.6Very high97.8Very high10 Ų1039.4 Ų39.44%0.04419%0.19CC..Hα-helixtrans-73.7-35.3174.2-177.9-115.4000111.6Y85 E90 D91 L96 K97 V128 A133 Y136Y85-F93 HydrophobicContact CD1-CD2 4.02Å; Y85-F93 HydrophobicContact CD2-CB 3.82Å; Y85-F93 AromaticContact CD2-CD2 3.99Å; Y85-F93 HydrophobicContact CD2-CD2 3.99Å; Y85-F93 HydrophobicContact CD2-CG 4.32Å; Y85-F93 HydrophobicContact CE1-CD2 4.07Å; Y85-F93 HydrophobicContact CE1-CE2 4.44Å; Y85-F93 HydrophobicContact CE2-CB 4.34Å; Y85-F93 HydrophobicContact CE2-CD2 4.07Å; Y85-F93 HydrophobicContact CE2-CG 4.49Å; Y85-F93 HydrophobicContact CG-CB 4.23Å; Y85-F93 AromaticContact CG-CD2 3.97Å; Y85-F93 HydrophobicContact CG-CD2 3.97Å; E90-F93 WeakPolarHBondContact O-CB 3.09Å; E90-F93 PolarHBondContact O-N 2.95Å; D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 2.94Å; F93-L96 HydrophobicContact CD2-CD2 4.37Å; F93-L96 HydrophobicContact CE2-CD2 4.31Å; F93-L96 WeakPolarHBondContact O-CB 3.33Å; F93-L96 PolarHBondContact O-N 3.17Å; F93-K97 VanDerWaalsContact CE1-CE 3.47Å; F93-K97 PolarHBondContact O-N 3.03Å; F93-V128 HydrophobicContact CB-CG1 4.36Å; F93-V128 HydrophobicContact CB-CG2 3.84Å; F93-V128 HydrophobicContact CD1-CG1 4.05Å; F93-V128 HydrophobicContact CD2-CG1 4.38Å; F93-V128 HydrophobicContact CE1-CG1 4.44Å; F93-V128 HydrophobicContact CG-CG1 4.02Å; F93-V128 HydrophobicContact CG-CG2 4.38Å; F93-A133 HydrophobicContact CE2-CB 3.87Å; F93-A133 HydrophobicContact CZ-CB 4.15Å; F93-Y136 HydrophobicContact CE2-CD1 4.1Å; F93-Y136 AromaticContact CZ-CD1 3.97Å; F93-Y136 HydrophobicContact CZ-CD1 3.97Å; F93-Y136 HydrophobicContact CZ-CG 4.12Å
94Q98.1Very high97.6Very high78 Ų7844.6 Ų44.636%0.36421%0.21SC..Hα-helixtrans-65.8-43172.3-56.1-56.2-19.800111.3E90 D91 L96 K97E90-Q94 PolarHBondContact O-N 2.81Å; E90-Q94 VanDerWaalsContact O-N 3.14Å; D91-Q94 PolarHBondContact O-N 3.32Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 2.93Å; Q94-K97 WeakPolarHBondContact O-CB 3.37Å; Q94-K97 PolarHBondContact O-N 3.14Å
95T96.1Very high97.4Very high28 Ų2850.8 Ų50.817%0.17224%0.239CC..Hα-helixtrans-66.6-32.8176.5-47.40000112.5D13 D91 K97 N98 W99D13-T95 WeakPolarHBondContact OD1-CG2 3.43Å; D13-T95 WeakPolarHBondContact OD2-CB 3.42Å; D13-T95 WeakPolarHBondContact OD2-CG2 3.27Å; D13-T95 PolarHBondContact OD2-OG1 3Å; D91-T95 PolarHBondContact O-N 3.1Å; D91-T95 PolarHBondContact O-OG1 3.24Å; T95-K97 PolarHBondContact O-N 2.72Å; T95-N98 WeakPolarHBondContact O-CA 3.42Å; T95-N98 WeakPolarHBondContact O-CB 3.41Å; T95-N98 PolarHBondContact O-N 3.44Å; T95-W99 VanDerWaalsContact O-CD1 3.27Å; T95-W99 PolarHBondContact O-N 2.88Å
96L97.8Very high97.2Very high0 Ų056.2 Ų56.20%026%0.264CS..Hα-helixtrans-54.1-40.8172.1170.4147.7000111.9I83 Y85 S92 F93 Q94 N98 W99 V100 I115 Y136I83-L96 HydrophobicContact CB-CD1 4.16Å; I83-L96 HydrophobicContact CB-CG 4.34Å; I83-L96 HydrophobicContact CG2-CB 4.31Å; I83-L96 HydrophobicContact CG2-CD1 3.79Å; I83-L96 HydrophobicContact CG2-CG 3.62Å; I83-L96 WeakPolarHBondContact O-CD1 3.12Å; Y85-L96 HydrophobicContact CD1-CD1 3.67Å; Y85-L96 HydrophobicContact CG-CD1 4.21Å; S92-L96 WeakPolarHBondContact O-CB 3.44Å; S92-L96 PolarHBondContact O-N 2.85Å; F93-L96 HydrophobicContact CD2-CD2 4.37Å; F93-L96 HydrophobicContact CE2-CD2 4.31Å; F93-L96 WeakPolarHBondContact O-CB 3.33Å; F93-L96 PolarHBondContact O-N 3.17Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 2.93Å; L96-N98 PolarHBondContact O-N 3.33Å; L96-W99 WeakPolarHBondContact O-CA 3.5Å; L96-W99 WeakPolarHBondContact O-CB 3.41Å; L96-W99 PolarHBondContact O-N 3.49Å; L96-V100 HydrophobicContact CD2-CG2 4.11Å; L96-V100 WeakPolarHBondContact O-CG2 3.26Å; L96-V100 PolarHBondContact O-N 3.49Å; L96-I115 HydrophobicContact CD1-CG1 4.33Å; L96-I115 HydrophobicContact CD1-CG2 3.84Å; L96-I115 HydrophobicContact CD2-CD1 3.92Å; L96-I115 HydrophobicContact CD2-CG1 4.27Å; L96-Y136 HydrophobicContact CD2-CD1 4.23Å; L96-Y136 HydrophobicContact CD2-CE1 3.65Å
97K98.2Very high97Very high64 Ų6457 Ų5728%0.27827%0.273SS..Hα-helixtrans-62.8-34.4178.1-58.4177.1-175.1163.50112F93 Q94 T95 V100 K101 Y136F93-K97 VanDerWaalsContact CE1-CE 3.47Å; F93-K97 PolarHBondContact O-N 3.03Å; Q94-K97 WeakPolarHBondContact O-CB 3.37Å; Q94-K97 PolarHBondContact O-N 3.14Å; T95-K97 PolarHBondContact O-N 2.72Å; K97-V100 PolarHBondContact O-N 3.02Å; K97-K101 PolarHBondContact O-N 2.91Å; K97-Y136 HydrophobicContact CD-CE2 4.28Å; K97-Y136 HydrophobicContact CG-CD1 4.49Å; K97-Y136 HydrophobicContact CG-CE1 3.87Å; K97-Y136 HydrophobicContact CG-CE2 4.04Å
98N96.5Very high96.9Very high90 Ų9058.4 Ų58.448%0.48128%0.282SS..Hα-helixtrans-67.5-41173.6-62.4-34.8000111.3T95 L96 K101 E102T95-N98 WeakPolarHBondContact O-CA 3.42Å; T95-N98 WeakPolarHBondContact O-CB 3.41Å; T95-N98 PolarHBondContact O-N 3.44Å; L96-N98 PolarHBondContact O-N 3.33Å; N98-K101 PolarHBondContact O-N 3.3Å; N98-E102 WeakPolarHBondContact O-CB 3.43Å; N98-E102 PolarHBondContact O-N 3.27Å
99W96.8Very high96.6Very high4 Ų463.3 Ų63.32%0.01531%0.314CS..Hα-helixtrans-61.6-42.4173.6-75.3113.3000112.4L11 D13 R68 A71 I83 T95 L96 E102 L103L11-W99 HydrophobicContact CB-CD2 4.35Å; L11-W99 HydrophobicContact CB-CE3 4.29Å; L11-W99 HydrophobicContact CD1-CE3 4.34Å; L11-W99 HydrophobicContact CD2-CE3 4.37Å; L11-W99 HydrophobicContact CD2-CZ3 4.23Å; D13-W99 PolarHBondContact OD1-NE1 3.39Å; R68-W99 HydrophobicContact CB-CH2 4.42Å; R68-W99 HydrophobicContact CG-CH2 3.74Å; R68-W99 HydrophobicContact CG-CZ2 4.3Å; R68-W99 HydrophobicContact CG-CZ3 4.26Å; A71-W99 HydrophobicContact CB-CH2 3.96Å; A71-W99 HydrophobicContact CB-CZ3 3.54Å; I83-W99 HydrophobicContact CG2-CB 3.79Å; I83-W99 HydrophobicContact CG2-CG 4.48Å; T95-W99 VanDerWaalsContact O-CD1 3.27Å; T95-W99 PolarHBondContact O-N 2.88Å; L96-W99 WeakPolarHBondContact O-CA 3.5Å; L96-W99 WeakPolarHBondContact O-CB 3.41Å; L96-W99 PolarHBondContact O-N 3.49Å; W99-E102 PolarHBondContact O-N 3Å; W99-L103 VanDerWaalsContact O-CB 3.28Å; W99-L103 WeakPolarHBondContact O-CB 3.3Å; W99-L103 PolarHBondContact O-N 3.01Å
100V97.6Very high96.3Very high7 Ų765.2 Ų65.24%0.04233%0.329CS..Hα-helixtrans-58.4-49.9173.7171.10000110.5I83 L96 K97 E102 L103 R104 Y136 I140I83-V100 HydrophobicContact CD1-CB 4.31Å; I83-V100 HydrophobicContact CD1-CG2 3.55Å; L96-V100 HydrophobicContact CD2-CG2 4.11Å; L96-V100 WeakPolarHBondContact O-CG2 3.26Å; L96-V100 PolarHBondContact O-N 3.49Å; K97-V100 PolarHBondContact O-N 3.02Å; V100-E102 PolarHBondContact O-N 3.29Å; V100-L103 PolarHBondContact O-N 3.07Å; V100-R104 HydrophobicContact CG1-CG 4.28Å; V100-R104 WeakPolarHBondContact O-CB 3.34Å; V100-R104 VanDerWaalsContact O-CG 3.3Å; V100-R104 WeakPolarHBondContact O-CG 3.43Å; V100-R104 PolarHBondContact O-N 2.83Å; V100-Y136 HydrophobicContact CG2-CE1 4.33Å; V100-I140 HydrophobicContact CB-CD1 4.47Å; V100-I140 HydrophobicContact CG1-CD1 3.65Å; V100-I140 HydrophobicContact CG2-CD1 3.96Å
101K96.4Very high96.3Very high145 Ų14560.6 Ų60.663%0.6331%0.308SS*.Hα-helixtrans-59.4-47.6-179.4-176.4-179.4177.5-177.70111.8K97 N98 R104 Q105K97-K101 PolarHBondContact O-N 2.91Å; N98-K101 PolarHBondContact O-N 3.3Å; K101-R104 PolarHBondContact O-N 2.81Å; K101-Q105 WeakPolarHBondContact O-CB 3.44Å; K101-Q105 PolarHBondContact O-N 3Å
102E94.6Very high96.3Very high33 Ų3357 Ų5715%0.15429%0.29CS..Hα-helixtrans-59.7-47.3177.7-172.4-176132.700111.3R68 N98 W99 V100 R104 Q105 H106R68-E102 IonicContact CZ-OE2 2.68Å; R68-E102 IonicContact NE-OE2 3.02Å; R68-E102 PolarHBondContact NE-OE2 3.44Å; R68-E102 IonicContact NH2-OE2 2.73Å; R68-E102 PolarHBondContact NH2-OE2 3.33Å; N98-E102 WeakPolarHBondContact O-CB 3.43Å; N98-E102 PolarHBondContact O-N 3.27Å; W99-E102 PolarHBondContact O-N 3Å; V100-E102 PolarHBondContact O-N 3.29Å; E102-R104 PolarHBondContact O-N 2.85Å; E102-Q105 PolarHBondContact O-N 3.49Å; E102-H106 PolarHBondContact O-N 2.94Å
103L96.6Very high96.3Very high1 Ų156.8 Ų56.81%0.00529%0.289CS..Hα-helixtrans-63.5-41.8178.9-174.467.8000112.1L11 Y75 A81 I83 W99 V100 Q105 G107 I111 V113L11-L103 HydrophobicContact CD1-CD1 4.13Å; L11-L103 HydrophobicContact CD1-CD2 4.42Å; Y75-L103 HydrophobicContact CD1-CD1 3.78Å; Y75-L103 HydrophobicContact CD2-CD1 3.86Å; Y75-L103 HydrophobicContact CE1-CD1 4.29Å; Y75-L103 HydrophobicContact CE2-CD1 4.36Å; Y75-L103 HydrophobicContact CG-CD1 3.53Å; A81-L103 HydrophobicContact CB-CD2 3.38Å; I83-L103 HydrophobicContact CD1-CD2 4.08Å; W99-L103 VanDerWaalsContact O-CB 3.28Å; W99-L103 WeakPolarHBondContact O-CB 3.3Å; W99-L103 PolarHBondContact O-N 3.01Å; V100-L103 PolarHBondContact O-N 3.07Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.41Å; L103-G107 WeakPolarHBondContact O-CA 3.43Å; L103-G107 PolarHBondContact O-N 3.24Å; L103-I111 HydrophobicContact CD1-CD1 4.03Å; L103-I111 HydrophobicContact CD2-CD1 4.24Å; L103-I111 HydrophobicContact CD2-CG2 4.31Å; L103-I111 HydrophobicContact CG-CD1 4.46Å; L103-I111 HydrophobicContact CG-CG2 4.31Å; L103-V113 HydrophobicContact CD2-CG2 4Å
104R95Very high96.3Very high110 Ų11056.3 Ų56.342%0.41529%0.287SS..Hα-helixtrans-68.1-30.3177.2-68.9-66.4-167.7-162.72.9112.2V100 K101 E102 I111 I140V100-R104 HydrophobicContact CG1-CG 4.28Å; V100-R104 WeakPolarHBondContact O-CB 3.34Å; V100-R104 VanDerWaalsContact O-CG 3.3Å; V100-R104 WeakPolarHBondContact O-CG 3.43Å; V100-R104 PolarHBondContact O-N 2.83Å; K101-R104 PolarHBondContact O-N 2.81Å; E102-R104 PolarHBondContact O-N 2.85Å; R104-I111 PolarHBondContact NH1-O 2.87Å; R104-I140 PolarHBondContact NH2-O 3.19Å
105Q95Very high96.3Very high130 Ų13052.6 Ų52.661%0.60727%0.269SS*.Hα-helixtrans-79.1-36.1-179.9-173.6175.9-4.300113.1K101 E102 L103K101-Q105 WeakPolarHBondContact O-CB 3.44Å; K101-Q105 PolarHBondContact O-N 3Å; E102-Q105 PolarHBondContact O-N 3.49Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.41Å
106H94.1Very high96.4Very high113 Ų11351.3 Ų51.352%0.52326%0.261SS..Hα-helixtrans-123.8-11.8-168.4-62.7-60.7000114.4Y75 E102Y75-H106 HydrophobicContact CE2-CB 4.28Å; Y75-H106 VanDerWaalsContact OH-CB 3.25Å; Y75-H106 WeakPolarHBondContact OH-CB 3.49Å; E102-H106 PolarHBondContact O-N 2.94Å
107G95.3Very high96.5Very high18 Ų1851.3 Ų51.319%0.18626%0.261CS..SBendtrans-81.8178.8-179.700000113.5L103L103-G107 WeakPolarHBondContact O-CA 3.43Å; L103-G107 PolarHBondContact O-N 3.24Å
108P96.2Very high96.5Very high30 Ų3048.4 Ų48.420%0.19525%0.249CC..  trans-59.9140.8174.9-20.633.4000111.3Y75 N110 I111Y75-P108 WeakPolarHBondContact O-CD 3.43Å; Y75-P108 WeakPolarHBondContact O-CG 3.41Å; P108-N110 VanDerWaalsContact C-N 3.28Å; P108-N110 PolarHBondContact O-N 3.32Å; P108-I111 HydrophobicContact CB-CB 4.22Å; P108-I111 HydrophobicContact CG-CB 4.46Å; P108-I111 HydrophobicContact CG-CD1 4.37Å; P108-I111 VanDerWaalsContact O-CG2 3.25Å; P108-I111 WeakPolarHBondContact O-CG2 3.25Å; P108-I111 PolarHBondContact O-N 3.43Å
109P92Very high96.6Very high120 Ų12046.6 Ų46.678%0.77924%0.237SC*.THydrogen-bonded Turntrans-62.8-32.2-173.323.1-33.5000113.7
110N92.7Very high96.7Very high149 Ų14947 Ų4780%0.79724%0.24SC*.THydrogen-bonded Turntrans-107.626-177.6-59.2-27.8000112.4P108 V112P108-N110 VanDerWaalsContact C-N 3.28Å; P108-N110 PolarHBondContact O-N 3.32Å; N110-V112 PolarHBondContact O-N 2.86Å
111I97.3Very high96.7Very high6 Ų648.7 Ų48.73%0.03125%0.249CC..  trans-67.1127.2178.7-166.4165.4000110.4A81 L103 R104 P108 V113A81-I111 HydrophobicContact CB-CD1 3.87Å; A81-I111 HydrophobicContact CB-CG1 4.44Å; L103-I111 HydrophobicContact CD1-CD1 4.03Å; L103-I111 HydrophobicContact CD2-CD1 4.24Å; L103-I111 HydrophobicContact CD2-CG2 4.31Å; L103-I111 HydrophobicContact CG-CD1 4.46Å; L103-I111 HydrophobicContact CG-CG2 4.31Å; R104-I111 PolarHBondContact NH1-O 2.87Å; P108-I111 HydrophobicContact CB-CB 4.22Å; P108-I111 HydrophobicContact CG-CB 4.46Å; P108-I111 HydrophobicContact CG-CD1 4.37Å; P108-I111 VanDerWaalsContact O-CG2 3.25Å; P108-I111 WeakPolarHBondContact O-CG2 3.25Å; P108-I111 PolarHBondContact O-N 3.43Å; I111-V113 HydrophobicContact CG2-CG2 4.26Å
112V98.2Very high96.8Very high53 Ų5345 Ų4532%0.32124%0.236SC..EExtended strand (participates in β ladder)trans-70.5131.6170.1178.40000108.2A79 A80 A81 N110 I143 I162A79-V112 PolarHBondContact O-N 2.8Å; A80-V112 CarbonylContact C-O 3.59Å; A80-V112 WeakPolarHBondContact CA-O 3.37Å; A80-V112 HydrophobicContact CB-CB 4.01Å; A81-V112 PolarHBondContact N-O 2.78Å; N110-V112 PolarHBondContact O-N 2.86Å; V112-I143 HydrophobicContact CG1-CD1 3.74Å; V112-I162 HydrophobicContact CG1-CB 4.29Å; V112-I162 HydrophobicContact CG1-CG2 4.22Å
113V98.5Very high96.8Very high4 Ų448.6 Ų48.62%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-114.7126.1-179.8-178.70000108.7I83 L103 I111 A142 I143I83-V113 HydrophobicContact CD1-CG1 3.91Å; I83-V113 HydrophobicContact CG1-CG1 4.41Å; L103-V113 HydrophobicContact CD2-CG2 4Å; I111-V113 HydrophobicContact CG2-CG2 4.26Å; V113-A142 HydrophobicContact CB-CB 4.19Å; V113-A142 HydrophobicContact CG1-CB 4Å; V113-A142 CarbonylContact O-C 3.57Å; V113-A142 VanDerWaalsContact O-CA 3.27Å; V113-A142 WeakPolarHBondContact O-CA 3.06Å; V113-A142 WeakPolarHBondContact O-CB 3.42Å; V113-I143 PolarHBondContact O-N 2.9Å
114A98.8Very high96.9Very high0 Ų056.6 Ų56.60%030%0.298CS..EExtended strand (participates in β ladder)trans-115.5139.2167.800000110.1A81 I82 I83 I143 V158 I162A81-A114 PolarHBondContact O-N 2.81Å; I82-A114 CarbonylContact C-O 3.55Å; I82-A114 WeakPolarHBondContact CA-O 3.41Å; I82-A114 HydrophobicContact CG1-CB 4.4Å; I83-A114 PolarHBondContact N-O 2.78Å; A114-I143 CarbonylContact C-O 3.58Å; A114-I143 WeakPolarHBondContact CA-O 3.2Å; A114-I143 HydrophobicContact CB-CB 3.99Å; A114-I143 HydrophobicContact CB-CG2 4.3Å; A114-V158 HydrophobicContact CB-CG2 4.26Å; A114-I162 HydrophobicContact CB-CG2 3.52Å
115I98.8Very high97Very high0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-101.6122.7169.7-69177.9000107.5I83 Y85 L96 Y136 A137 I140 A142 I143 F144 V145I83-I115 WeakPolarHBondContact O-CA 3.31Å; Y85-I115 HydrophobicContact CD1-CG2 3.98Å; Y85-I115 HydrophobicContact CE1-CG2 3.73Å; L96-I115 HydrophobicContact CD1-CG1 4.33Å; L96-I115 HydrophobicContact CD1-CG2 3.84Å; L96-I115 HydrophobicContact CD2-CD1 3.92Å; L96-I115 HydrophobicContact CD2-CG1 4.27Å; I115-Y136 HydrophobicContact CD1-CD1 3.65Å; I115-Y136 HydrophobicContact CD1-CE1 3.68Å; I115-A137 HydrophobicContact CD1-CB 3.92Å; I115-I140 HydrophobicContact CD1-CD1 3.93Å; I115-A142 HydrophobicContact CD1-CB 4.34Å; I115-A142 HydrophobicContact CG1-CB 4.31Å; I115-I143 PolarHBondContact N-O 2.91Å; I115-F144 HydrophobicContact CB-CD2 4.17Å; I115-F144 HydrophobicContact CG2-CD2 3.79Å; I115-F144 HydrophobicContact CG2-CE2 4.15Å; I115-V145 PolarHBondContact O-N 2.88Å
116A98.9Very high97.2Very high0 Ų051.9 Ų51.90%029%0.287CS..EExtended strand (participates in β ladder)trans-109.4111.8175.800000110.5I21 I82 I83 V84 Y85 N118 V145 T147I21-A116 HydrophobicContact CD1-CB 4.48Å; I82-A116 HydrophobicContact CG2-CB 3.76Å; I83-A116 PolarHBondContact O-N 3.37Å; V84-A116 WeakPolarHBondContact CA-O 3.28Å; V84-A116 HydrophobicContact CG1-CB 4.43Å; V84-A116 HydrophobicContact CG2-CB 4.21Å; Y85-A116 WeakPolarHBondContact CD1-O 3.25Å; Y85-A116 PolarHBondContact N-O 3.23Å; A116-N118 PolarHBondContact O-N 3.47Å; A116-V145 VanDerWaalsContact CA-O 3.29Å; A116-V145 WeakPolarHBondContact CA-O 3.46Å; A116-T147 HydrophobicContact CB-CG2 4.49Å
117G98.8Very high97.4Very high0 Ų051.9 Ų51.90%029%0.287CS..EExtended strand (participates in β ladder)trans-83.693170.100000110.1Y85 V145 E146 T147Y85-G117 VanDerWaalsContact CZ-CA 3.44Å; G117-V145 PolarHBondContact N-O 2.82Å; G117-E146 CarbonylContact O-C 3.59Å; G117-E146 WeakPolarHBondContact O-CA 3.31Å; G117-T147 PolarHBondContact O-N 3.39Å
118N98.9Very high97.6Very high4 Ų451.2 Ų51.22%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-85.2161-174.2-169.133.5000112.4V16 I21 V84 Y85 I87 A116 T147 A149V16-N118 PolarHBondContact O-ND2 3.15Å; I21-N118 HydrophobicContact CD1-CB 4.07Å; V84-N118 HydrophobicContact CG1-CB 3.82Å; Y85-N118 PolarHBondContact O-N 3.22Å; I87-N118 PolarHBondContact N-O 3.3Å; A116-N118 PolarHBondContact O-N 3.47Å; N118-T147 CarbonylContact C-O 3.58Å; N118-T147 VanDerWaalsContact CA-O 3.26Å; N118-T147 WeakPolarHBondContact CA-O 3.49Å; N118-T147 WeakPolarHBondContact CA-OG1 3.33Å; N118-T147 PolarHBondContact OD1-O 3.48Å; N118-T147 PolarHBondContact OD1-OG1 3.31Å; N118-A149 PolarHBondContact OD1-N 3.18Å
119K98.6Very high97.7Very high51 Ų5152.6 Ų52.622%0.22229%0.288CS..  trans70.833.3-177.4-44.1-172.4-166.6170.70113.4G15 D86 I87 D121 L122 T147G15-K119 PolarHBondContact O-NZ 3.37Å; D86-K119 WeakPolarHBondContact OD1-CD 3.32Å; D86-K119 VanDerWaalsContact OD2-CE 3.26Å; D86-K119 WeakPolarHBondContact OD2-CE 3.18Å; D86-K119 IonicContact OD2-NZ 2.67Å; D86-K119 PolarHBondContact OD2-NZ 2.9Å; I87-K119 WeakPolarHBondContact CD1-O 3.41Å; I87-K119 WeakPolarHBondContact CG1-O 3.29Å; K119-D121 WeakPolarHBondContact CA-OD1 3.38Å; K119-D121 PolarHBondContact O-N 2.92Å; K119-L122 HydrophobicContact CB-CD1 4.16Å; K119-L122 HydrophobicContact CB-CG 4.45Å; K119-L122 HydrophobicContact CD-CD1 4.32Å; K119-L122 PolarHBondContact O-N 3.14Å; K119-T147 PolarHBondContact N-O 3.36Å
120C98.5Very high97.9Very high14 Ų1451.6 Ų51.610%0.09527%0.273CS..THydrogen-bonded Turntrans-61.7-10.1175.271.40000114I87 L122 L123 E146 T147I87-C120 HydrophobicContact CD1-CB 4.47Å; C120-L122 PolarHBondContact O-N 3.17Å; C120-L123 WeakPolarHBondContact O-CD2 3.5Å; C120-L123 WeakPolarHBondContact O-CG 3.33Å; C120-E146 HydrophobicContact CB-CB 4.06Å; C120-T147 PolarHBondContact N-O 2.92Å; C120-T147 PolarHBondContact SG-O 3.22Å
121D98.4Very high98.2Very high41 Ų4151.2 Ų51.222%0.21926%0.264CS..THydrogen-bonded Turntrans-69.1-13.1168.260-76.3000114.4K119 S148 K150 N151K119-D121 WeakPolarHBondContact CA-OD1 3.38Å; K119-D121 PolarHBondContact O-N 2.92Å; D121-S148 VanDerWaalsContact CG-OG 3.27Å; D121-S148 VanDerWaalsContact OD1-CB 3.31Å; D121-S148 WeakPolarHBondContact OD1-CB 3.34Å; D121-S148 PolarHBondContact OD1-OG 2.96Å; D121-K150 WeakPolarHBondContact OD2-CD 2.99Å; D121-K150 IonicContact OD2-NZ 3.81Å; D121-N151 VanDerWaalsContact CB-ND2 3.3Å; D121-N151 WeakPolarHBondContact CB-ND2 3.3Å
122L97.6Very high98.3Very high67 Ų6754.9 Ų54.935%0.35128%0.284SS..  trans-105.251.5-178-58-179.9000112.2T88 K119 C120 D124 S125 R126T88-L122 HydrophobicContact CG2-CB 3.69Å; T88-L122 HydrophobicContact CG2-CD1 4.04Å; K119-L122 HydrophobicContact CB-CD1 4.16Å; K119-L122 HydrophobicContact CB-CG 4.45Å; K119-L122 HydrophobicContact CD-CD1 4.32Å; K119-L122 PolarHBondContact O-N 3.14Å; C120-L122 PolarHBondContact O-N 3.17Å; L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 2.99Å; L122-S125 PolarHBondContact O-N 2.92Å; L122-R126 PolarHBondContact O-N 3.06Å
123L95.6Very high98.3Very high110 Ų11052.4 Ų52.458%0.57627%0.268SS*.G310 helixtrans-57.2-37.2-174.8-65176.6000113.8C120 S125 R126C120-L123 WeakPolarHBondContact O-CD2 3.5Å; C120-L123 WeakPolarHBondContact O-CG 3.33Å; L123-S125 PolarHBondContact O-N 3.16Å; L123-R126 VanDerWaalsContact O-CB 3.29Å; L123-R126 WeakPolarHBondContact O-CB 3.27Å; L123-R126 PolarHBondContact O-N 3.42Å
124D97.5Very high98.3Very high169 Ų16957 Ų5790%0.90429%0.288SS*.G310 helixtrans-67.9-15.7-179.7-62.4-35.1000113.4L122L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 2.99Å
125S97.8Very high98.3Very high75 Ų7561 Ų6152%0.52431%0.31SS..G310 helixtrans-111.315.6178.5-56.50000112.2T88 L122 L123 E127T88-S125 VanDerWaalsContact CA-O 3.25Å; T88-S125 WeakPolarHBondContact CA-O 3.13Å; T88-S125 VanDerWaalsContact CB-O 3.27Å; T88-S125 WeakPolarHBondContact CB-O 3.46Å; T88-S125 WeakPolarHBondContact CG2-O 3.48Å; L122-S125 PolarHBondContact O-N 2.92Å; L123-S125 PolarHBondContact O-N 3.16Å; S125-E127 PolarHBondContact O-N 2.9Å
126R98.5Very high98.3Very high66 Ų6663.1 Ų63.125%0.24932%0.318CS..  trans-64.5124.6179.7178.9179.5-70.6-87.66.9110.7I87 L122 L123 V128 E146I87-R126 HydrophobicContact CD1-CB 4.36Å; I87-R126 HydrophobicContact CD1-CG 4.43Å; L122-R126 PolarHBondContact O-N 3.06Å; L123-R126 VanDerWaalsContact O-CB 3.29Å; L123-R126 WeakPolarHBondContact O-CB 3.27Å; L123-R126 PolarHBondContact O-N 3.42Å; R126-V128 WeakPolarHBondContact CD-O 3.42Å; R126-V128 WeakPolarHBondContact CG-O 3.44Å; R126-V128 PolarHBondContact NH1-O 3.08Å; R126-E146 IonicContact CZ-OE1 3.48Å; R126-E146 VanDerWaalsContact CZ-OE1 3.27Å; R126-E146 IonicContact CZ-OE2 3.8Å; R126-E146 IonicContact NH1-OE1 3Å; R126-E146 PolarHBondContact NH1-OE1 3.24Å; R126-E146 IonicContact NH1-OE2 2.78Å; R126-E146 VanDerWaalsContact NH2-CD 3.27Å; R126-E146 IonicContact NH2-OE1 2.98Å; R126-E146 PolarHBondContact NH2-OE1 3Å; R126-E146 IonicContact NH2-OE2 2.75Å; R126-E146 PolarHBondContact NH2-OE2 3.02Å
127E98.6Very high98.3Very high113 Ų11363.1 Ų63.153%0.52832%0.318SS..  trans-104.9-27.7171.4-65.6-174.9178.900111.6I87 T88 K89 E90 S125 P129I87-E127 PolarHBondContact O-N 3.33Å; T88-E127 WeakPolarHBondContact O-CG 3.25Å; K89-E127 VanDerWaalsContact CA-OE2 3.29Å; K89-E127 WeakPolarHBondContact CA-OE2 3.29Å; E90-E127 HydrophobicContact CB-CB 4.3Å; E90-E127 PolarHBondContact N-OE2 2.87Å; S125-E127 PolarHBondContact O-N 2.9Å; E127-P129 WeakPolarHBondContact O-CD 3.35Å
128V98.4Very high98.3Very high3 Ų367.4 Ų67.42%0.01834%0.341CS..SBendtrans-104.1112.8179.8-174.70000110.1Y85 I87 E90 F93 R126 E130 A133Y85-V128 HydrophobicContact CD2-CG2 4.37Å; Y85-V128 HydrophobicContact CE2-CB 3.91Å; Y85-V128 HydrophobicContact CE2-CG1 3.82Å; Y85-V128 HydrophobicContact CE2-CG2 4.08Å; I87-V128 PolarHBondContact O-N 2.71Å; I87-V128 VanDerWaalsContact O-N 3.1Å; E90-V128 HydrophobicContact CB-CG2 4.46Å; F93-V128 HydrophobicContact CB-CG1 4.36Å; F93-V128 HydrophobicContact CB-CG2 3.84Å; F93-V128 HydrophobicContact CD1-CG1 4.05Å; F93-V128 HydrophobicContact CD2-CG1 4.38Å; F93-V128 HydrophobicContact CE1-CG1 4.44Å; F93-V128 HydrophobicContact CG-CG1 4.02Å; F93-V128 HydrophobicContact CG-CG2 4.38Å; R126-V128 WeakPolarHBondContact CD-O 3.42Å; R126-V128 WeakPolarHBondContact CG-O 3.44Å; R126-V128 PolarHBondContact NH1-O 3.08Å; V128-E130 PolarHBondContact O-N 3.02Å; V128-A133 HydrophobicContact CG1-CB 4.29Å
129P98.3Very high98.2Very high59 Ų5971 Ų7138%0.38337%0.367SS..  trans-59.5134.3172.6-23.535.1000110.9E127 K131 D132 A133E127-P129 WeakPolarHBondContact O-CD 3.35Å; P129-K131 PolarHBondContact O-N 3.07Å; P129-D132 HydrophobicContact CB-CB 4.4Å; P129-D132 WeakPolarHBondContact CD-OD2 3.4Å; P129-D132 WeakPolarHBondContact CG-OD2 3.27Å; P129-D132 PolarHBondContact O-N 3.04Å; P129-A133 PolarHBondContact O-N 3.33Å
130E98Very high98.2Very high99 Ų9970.3 Ų70.346%0.46337%0.365SS..Hα-helixtrans-54.3-40.2178.1-175.6-172.9162.900111.4V128 D132 A133 K134 F144 E146V128-E130 PolarHBondContact O-N 3.02Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 3.48Å; E130-A133 PolarHBondContact O-N 2.62Å; E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 2.92Å; E130-F144 HydrophobicContact CG-CE1 3.77Å; E130-F144 HydrophobicContact CG-CZ 4.12Å; E130-E146 HydrophobicContact CG-CG 4.2Å
131K98.3Very high98.1Very high142 Ų14278 Ų7862%0.61740%0.399SS*.Hα-helixtrans-56.8-45.3177.2-174.6-175.5173.5-167.60112.3P129 A133 K134 D135P129-K131 PolarHBondContact O-N 3.07Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 PolarHBondContact O-N 3.14Å; K131-K134 PolarHBondContact O-N 2.94Å; K131-D135 WeakPolarHBondContact CE-OD2 3.48Å; K131-D135 WeakPolarHBondContact O-CB 3.38Å; K131-D135 PolarHBondContact O-N 3.26Å
132D98.4Very high98.1Very high83 Ų8376.4 Ų76.444%0.44439%0.392SS..Hα-helixtrans-67.5-37.1-176.7-64.1-8.3000111.2P129 E130 Y136P129-D132 HydrophobicContact CB-CB 4.4Å; P129-D132 WeakPolarHBondContact CD-OD2 3.4Å; P129-D132 WeakPolarHBondContact CG-OD2 3.27Å; P129-D132 PolarHBondContact O-N 3.04Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 3.48Å; D132-Y136 WeakPolarHBondContact O-CB 3.49Å; D132-Y136 PolarHBondContact O-N 2.85Å; D132-Y136 VanDerWaalsContact O-N 3.09Å
133A98.5Very high98.2Very high0 Ų075.1 Ų75.10%039%0.385CS..Hα-helixtrans-68.8-40.8175.400000112.3Y85 F93 V128 P129 E130 K131 Y136 A137 F144Y85-A133 HydrophobicContact CE1-CB 4.24Å; Y85-A133 WeakPolarHBondContact OH-CB 3.26Å; F93-A133 HydrophobicContact CE2-CB 3.87Å; F93-A133 HydrophobicContact CZ-CB 4.15Å; V128-A133 HydrophobicContact CG1-CB 4.29Å; P129-A133 PolarHBondContact O-N 3.33Å; E130-A133 PolarHBondContact O-N 2.62Å; K131-A133 VanDerWaalsContact C-N 3.31Å; K131-A133 PolarHBondContact O-N 3.14Å; A133-Y136 PolarHBondContact O-N 2.77Å; A133-A137 WeakPolarHBondContact O-CB 3.25Å; A133-A137 PolarHBondContact O-N 3.48Å; A133-F144 HydrophobicContact CB-CD2 4.31Å; A133-F144 HydrophobicContact CB-CE2 3.49Å; A133-F144 VanDerWaalsContact CB-CE2 3.49Å; A133-F144 HydrophobicContact CB-CZ 3.73Å
134K98.6Very high98.3Very high102 Ų10271.6 Ų71.644%0.44337%0.365SS..Hα-helixtrans-65.7-49.8175.3-174.8172.4-177165.90112.3E130 K131 Y136 A137 D138 F144E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 2.92Å; K131-K134 PolarHBondContact O-N 2.94Å; K134-Y136 PolarHBondContact O-N 2.86Å; K134-A137 WeakPolarHBondContact O-CB 3.16Å; K134-A137 PolarHBondContact O-N 3.47Å; K134-D138 PolarHBondContact O-N 3.13Å; K134-F144 HydrophobicContact CB-CD1 3.84Å; K134-F144 HydrophobicContact CB-CE1 4.07Å; K134-F144 HydrophobicContact CB-CG 4.42Å; K134-F144 HydrophobicContact CG-CD1 4.16Å
135D98.8Very high98.4Very high83 Ų8363.9 Ų63.944%0.44432%0.324SS..Hα-helixtrans-57.4-39.4177.7-72.8-8.4000110.5K131 S139K131-D135 WeakPolarHBondContact CE-OD2 3.48Å; K131-D135 WeakPolarHBondContact O-CB 3.38Å; K131-D135 PolarHBondContact O-N 3.26Å; D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.67Å; D135-S139 VanDerWaalsContact O-N 3.11Å
136Y98.8Very high98.4Very high44 Ų4461.4 Ų61.417%0.17330%0.304CS..Hα-helixtrans-65.5-48173.3176-111.3000112.5F93 L96 K97 V100 I115 D132 A133 K134 D138 S139 I140F93-Y136 HydrophobicContact CE2-CD1 4.1Å; F93-Y136 AromaticContact CZ-CD1 3.97Å; F93-Y136 HydrophobicContact CZ-CD1 3.97Å; F93-Y136 HydrophobicContact CZ-CG 4.12Å; L96-Y136 HydrophobicContact CD2-CD1 4.23Å; L96-Y136 HydrophobicContact CD2-CE1 3.65Å; K97-Y136 HydrophobicContact CD-CE2 4.28Å; K97-Y136 HydrophobicContact CG-CD1 4.49Å; K97-Y136 HydrophobicContact CG-CE1 3.87Å; K97-Y136 HydrophobicContact CG-CE2 4.04Å; V100-Y136 HydrophobicContact CG2-CE1 4.33Å; I115-Y136 HydrophobicContact CD1-CD1 3.65Å; I115-Y136 HydrophobicContact CD1-CE1 3.68Å; D132-Y136 WeakPolarHBondContact O-CB 3.49Å; D132-Y136 PolarHBondContact O-N 2.85Å; D132-Y136 VanDerWaalsContact O-N 3.09Å; A133-Y136 PolarHBondContact O-N 2.77Å; K134-Y136 PolarHBondContact O-N 2.86Å; Y136-D138 VanDerWaalsContact C-N 3.33Å; Y136-D138 PolarHBondContact O-N 2.9Å; Y136-S139 WeakPolarHBondContact O-CB 2.84Å; Y136-S139 PolarHBondContact O-N 3.32Å; Y136-S139 PolarHBondContact O-OG 3.07Å; Y136-I140 HydrophobicContact CE1-CD1 3.93Å; Y136-I140 HydrophobicContact CE2-CG2 3.96Å; Y136-I140 PolarHBondContact O-N 3.3Å
137A98.7Very high98.4Very high0 Ų058.3 Ų58.30%029%0.292CS..Hα-helixtrans-58.5-45.217900000112I115 A133 K134 S139 I140 H141 A142 F144I115-A137 HydrophobicContact CD1-CB 3.92Å; A133-A137 WeakPolarHBondContact O-CB 3.25Å; A133-A137 PolarHBondContact O-N 3.48Å; K134-A137 WeakPolarHBondContact O-CB 3.16Å; K134-A137 PolarHBondContact O-N 3.47Å; A137-S139 VanDerWaalsContact C-N 3.3Å; A137-S139 PolarHBondContact O-N 3Å; A137-I140 CarbonylContact O-C 3.55Å; A137-I140 VanDerWaalsContact O-CG1 3.23Å; A137-I140 WeakPolarHBondContact O-CG1 3.38Å; A137-I140 PolarHBondContact O-N 2.89Å; A137-I140 VanDerWaalsContact O-N 3.13Å; A137-H141 PolarHBondContact O-N 2.83Å; A137-H141 VanDerWaalsContact O-N 3.1Å; A137-A142 HydrophobicContact CB-CB 4.34Å; A137-A142 PolarHBondContact O-N 2.96Å; A137-F144 HydrophobicContact CB-CB 3.67Å; A137-F144 HydrophobicContact CB-CD2 4.46Å; A137-F144 HydrophobicContact CB-CG 4.35Å
138D98.6Very high98.5Very high90 Ų9052.9 Ų52.948%0.48127%0.267SS..Hα-helixtrans-59.5-42.2176.5-71.2-18.3000111K134 Y136 I140 H141K134-D138 PolarHBondContact O-N 3.13Å; Y136-D138 VanDerWaalsContact C-N 3.33Å; Y136-D138 PolarHBondContact O-N 2.9Å; D138-I140 PolarHBondContact O-N 2.56Å; D138-H141 PolarHBondContact O-N 3.47Å; D138-H141 VanDerWaalsContact O-N 3.16Å
139S98.4Very high98.5Very high81 Ų8152.9 Ų52.957%0.56627%0.267SS*.Hα-helixtrans-63-21.5178.980.90000114.5D135 Y136 A137D135-S139 WeakPolarHBondContact O-CB 3.48Å; D135-S139 PolarHBondContact O-N 2.67Å; D135-S139 VanDerWaalsContact O-N 3.11Å; Y136-S139 WeakPolarHBondContact O-CB 2.84Å; Y136-S139 PolarHBondContact O-N 3.32Å; Y136-S139 PolarHBondContact O-OG 3.07Å; A137-S139 VanDerWaalsContact C-N 3.3Å; A137-S139 PolarHBondContact O-N 3Å
140I97.5Very high98.5Very high36 Ų3655 Ų5519%0.18527%0.27CS..THydrogen-bonded Turntrans-112.59.5179.566.6164.7000113.1V100 R104 I115 Y136 A137 D138 A142V100-I140 HydrophobicContact CB-CD1 4.47Å; V100-I140 HydrophobicContact CG1-CD1 3.65Å; V100-I140 HydrophobicContact CG2-CD1 3.96Å; R104-I140 PolarHBondContact NH2-O 3.19Å; I115-I140 HydrophobicContact CD1-CD1 3.93Å; Y136-I140 HydrophobicContact CE1-CD1 3.93Å; Y136-I140 HydrophobicContact CE2-CG2 3.96Å; Y136-I140 PolarHBondContact O-N 3.3Å; A137-I140 CarbonylContact O-C 3.55Å; A137-I140 VanDerWaalsContact O-CG1 3.23Å; A137-I140 WeakPolarHBondContact O-CG1 3.38Å; A137-I140 PolarHBondContact O-N 2.89Å; A137-I140 VanDerWaalsContact O-N 3.13Å; D138-I140 PolarHBondContact O-N 2.56Å; I140-A142 VanDerWaalsContact C-N 3.27Å; I140-A142 HydrophobicContact CD1-CB 3.71Å; I140-A142 HydrophobicContact CG1-CB 3.68Å; I140-A142 PolarHBondContact O-N 3.4Å
141H97.3Very high98.5Very high174 Ų17454.7 Ų54.781%0.80627%0.272SS*.THydrogen-bonded Turntrans51.545.7-174.7-52.1-63.5000112.5A137 D138A137-H141 PolarHBondContact O-N 2.83Å; A137-H141 VanDerWaalsContact O-N 3.1Å; D138-H141 PolarHBondContact O-N 3.47Å; D138-H141 VanDerWaalsContact O-N 3.16Å
142A98.4Very high98.5Very high9 Ų950 Ų507%0.07426%0.26CS..  trans-102.5149173.200000110.6V113 I115 A137 I140V113-A142 HydrophobicContact CB-CB 4.19Å; V113-A142 HydrophobicContact CG1-CB 4Å; V113-A142 CarbonylContact O-C 3.57Å; V113-A142 VanDerWaalsContact O-CA 3.27Å; V113-A142 WeakPolarHBondContact O-CA 3.06Å; V113-A142 WeakPolarHBondContact O-CB 3.42Å; I115-A142 HydrophobicContact CD1-CB 4.34Å; I115-A142 HydrophobicContact CG1-CB 4.31Å; A137-A142 HydrophobicContact CB-CB 4.34Å; A137-A142 PolarHBondContact O-N 2.96Å; I140-A142 VanDerWaalsContact C-N 3.27Å; I140-A142 HydrophobicContact CD1-CB 3.71Å; I140-A142 HydrophobicContact CG1-CB 3.68Å; I140-A142 PolarHBondContact O-N 3.4Å
143I98.7Very high98.5Very high39 Ų3949.1 Ų49.120%0.225%0.254CS..EExtended strand (participates in β ladder)trans-67141.9167.5-64.6155.8000107.9V112 V113 A114 I115 V145 E161 I162V112-I143 HydrophobicContact CG1-CD1 3.74Å; V113-I143 PolarHBondContact O-N 2.9Å; A114-I143 CarbonylContact C-O 3.58Å; A114-I143 WeakPolarHBondContact CA-O 3.2Å; A114-I143 HydrophobicContact CB-CB 3.99Å; A114-I143 HydrophobicContact CB-CG2 4.3Å; I115-I143 PolarHBondContact N-O 2.91Å; I143-V145 HydrophobicContact CG2-CG2 3.99Å; I143-E161 HydrophobicContact CD1-CB 4.23Å; I143-E161 HydrophobicContact CG2-CB 3.94Å; I143-E161 HydrophobicContact CG2-CG 4.38Å; I143-I162 HydrophobicContact CD1-CG2 3.96Å
144F98.8Very high98.5Very high36 Ų3652.1 Ų52.116%0.15827%0.27CS..EExtended strand (participates in β ladder)trans-124.4127.1174.4176.8-108.3000110.9Y85 I115 E130 A133 K134 A137 E146Y85-F144 HydrophobicContact CE1-CE2 4.21Å; I115-F144 HydrophobicContact CB-CD2 4.17Å; I115-F144 HydrophobicContact CG2-CD2 3.79Å; I115-F144 HydrophobicContact CG2-CE2 4.15Å; E130-F144 HydrophobicContact CG-CE1 3.77Å; E130-F144 HydrophobicContact CG-CZ 4.12Å; A133-F144 HydrophobicContact CB-CD2 4.31Å; A133-F144 HydrophobicContact CB-CE2 3.49Å; A133-F144 VanDerWaalsContact CB-CE2 3.49Å; A133-F144 HydrophobicContact CB-CZ 3.73Å; K134-F144 HydrophobicContact CB-CD1 3.84Å; K134-F144 HydrophobicContact CB-CE1 4.07Å; K134-F144 HydrophobicContact CB-CG 4.42Å; K134-F144 HydrophobicContact CG-CD1 4.16Å; A137-F144 HydrophobicContact CB-CB 3.67Å; A137-F144 HydrophobicContact CB-CD2 4.46Å; A137-F144 HydrophobicContact CB-CG 4.35Å; F144-E146 HydrophobicContact CE1-CG 4.03Å; F144-E146 HydrophobicContact CZ-CG 3.65Å
145V98.7Very high98.5Very high8 Ų847.4 Ų47.45%0.04825%0.25CC..EExtended strand (participates in β ladder)trans-139.6124.7177-174.90000109.4I115 A116 G117 I143 T147 N154 V158I115-V145 PolarHBondContact O-N 2.88Å; A116-V145 VanDerWaalsContact CA-O 3.29Å; A116-V145 WeakPolarHBondContact CA-O 3.46Å; G117-V145 PolarHBondContact N-O 2.82Å; I143-V145 HydrophobicContact CG2-CG2 3.99Å; V145-T147 HydrophobicContact CG1-CG2 3.93Å; V145-N154 HydrophobicContact CG1-CB 3.54Å; V145-V158 HydrophobicContact CB-CB 4.13Å; V145-V158 HydrophobicContact CB-CG2 4.2Å; V145-V158 HydrophobicContact CG1-CB 4.19Å; V145-V158 HydrophobicContact CG2-CB 4.19Å; V145-V158 HydrophobicContact CG2-CG2 4.23Å
146E98.7Very high98.4Very high23 Ų2347.8 Ų47.811%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-78.7136164.4-71-152.3155.200110.4G117 C120 R126 E130 F144 N154G117-E146 CarbonylContact O-C 3.59Å; G117-E146 WeakPolarHBondContact O-CA 3.31Å; C120-E146 HydrophobicContact CB-CB 4.06Å; R126-E146 IonicContact CZ-OE1 3.48Å; R126-E146 VanDerWaalsContact CZ-OE1 3.27Å; R126-E146 IonicContact CZ-OE2 3.8Å; R126-E146 IonicContact NH1-OE1 3Å; R126-E146 PolarHBondContact NH1-OE1 3.24Å; R126-E146 IonicContact NH1-OE2 2.78Å; R126-E146 VanDerWaalsContact NH2-CD 3.27Å; R126-E146 IonicContact NH2-OE1 2.98Å; R126-E146 PolarHBondContact NH2-OE1 3Å; R126-E146 IonicContact NH2-OE2 2.75Å; R126-E146 PolarHBondContact NH2-OE2 3.02Å; E130-E146 HydrophobicContact CG-CG 4.2Å; F144-E146 HydrophobicContact CE1-CG 4.03Å; F144-E146 HydrophobicContact CZ-CG 3.65Å; E146-N154 VanDerWaalsContact O-CB 3.29Å; E146-N154 WeakPolarHBondContact O-CB 3.44Å; E146-N154 PolarHBondContact O-ND2 2.95Å
147T98.9Very high98.4Very high0 Ų049.7 Ų49.70%026%0.263CS..EExtended strand (participates in β ladder)trans-131.5153.6-173.357.20000111.8A116 G117 N118 K119 C120 V145 I153 N154 I155 V158A116-T147 HydrophobicContact CB-CG2 4.49Å; G117-T147 PolarHBondContact O-N 3.39Å; N118-T147 CarbonylContact C-O 3.58Å; N118-T147 VanDerWaalsContact CA-O 3.26Å; N118-T147 WeakPolarHBondContact CA-O 3.49Å; N118-T147 WeakPolarHBondContact CA-OG1 3.33Å; N118-T147 PolarHBondContact OD1-O 3.48Å; N118-T147 PolarHBondContact OD1-OG1 3.31Å; K119-T147 PolarHBondContact N-O 3.36Å; C120-T147 PolarHBondContact N-O 2.92Å; C120-T147 PolarHBondContact SG-O 3.22Å; V145-T147 HydrophobicContact CG1-CG2 3.93Å; T147-I153 WeakPolarHBondContact CA-O 3.3Å; T147-N154 HydrophobicContact CG2-CB 4.36Å; T147-I155 HydrophobicContact CG2-CD1 4.43Å; T147-V158 HydrophobicContact CG2-CB 4.39Å; T147-V158 HydrophobicContact CG2-CG1 4.25Å
148S98.8Very high98.3Very high0 Ų049.7 Ų49.70%026%0.263CS..BIsolated β-bridgetrans-131.9107163.71750000108.9D121 K150 N151 A152 I153D121-S148 VanDerWaalsContact CG-OG 3.27Å; D121-S148 VanDerWaalsContact OD1-CB 3.31Å; D121-S148 WeakPolarHBondContact OD1-CB 3.34Å; D121-S148 PolarHBondContact OD1-OG 2.96Å; S148-K150 PolarHBondContact O-N 2.98Å; S148-K150 PolarHBondContact OG-N 3.37Å; S148-N151 PolarHBondContact O-N 2.95Å; S148-N151 PolarHBondContact OG-N 3.27Å; S148-A152 CarbonylContact O-C 3.58Å; S148-A152 VanDerWaalsContact O-CA 3.25Å; S148-A152 WeakPolarHBondContact O-CA 3.13Å; S148-A152 PolarHBondContact O-N 3.04Å; S148-I153 PolarHBondContact N-O 3.29Å; S148-I153 PolarHBondContact O-N 2.87Å
149A98.6Very high98.3Very high2 Ų245.4 Ų45.42%0.01724%0.24CC..THydrogen-bonded Turntrans-60.6-31.7171.200000112.2I21 R24 F30 N118 I155I21-A149 HydrophobicContact CG1-CB 4.15Å; R24-A149 HydrophobicContact CB-CB 4.49Å; R24-A149 PolarHBondContact NE-O 2.98Å; F30-A149 HydrophobicContact CD2-CB 4.19Å; F30-A149 HydrophobicContact CE2-CB 4.38Å; N118-A149 PolarHBondContact OD1-N 3.18Å; A149-I155 HydrophobicContact CB-CD1 4.44Å
150K98.4Very high98.2Very high103 Ų10343.1 Ų43.145%0.44822%0.222SC..THydrogen-bonded Turntrans-66.5-52.9179.3-173.7-169.1-177.1-177.90111.4R24 F30 D121 S148R24-K150 PolarHBondContact NH2-O 3.14Å; F30-K150 HydrophobicContact CD1-CB 4.43Å; F30-K150 HydrophobicContact CD1-CG 4.17Å; F30-K150 HydrophobicContact CD2-CB 4.33Å; F30-K150 HydrophobicContact CE1-CB 4.13Å; F30-K150 HydrophobicContact CE1-CG 3.83Å; F30-K150 HydrophobicContact CE2-CB 4.02Å; F30-K150 HydrophobicContact CZ-CB 3.92Å; F30-K150 HydrophobicContact CZ-CG 4.08Å; D121-K150 WeakPolarHBondContact OD2-CD 2.99Å; D121-K150 IonicContact OD2-NZ 3.81Å; S148-K150 PolarHBondContact O-N 2.98Å; S148-K150 PolarHBondContact OG-N 3.37Å
151N98.4Very high98.1Very high94 Ų9444.9 Ų44.950%0.50323%0.23SC..THydrogen-bonded Turntrans-96.27.9-175.2-67.6-3.5000113.4D121 S148 I153D121-N151 VanDerWaalsContact CB-ND2 3.3Å; D121-N151 WeakPolarHBondContact CB-ND2 3.3Å; S148-N151 PolarHBondContact O-N 2.95Å; S148-N151 PolarHBondContact OG-N 3.27Å; N151-I153 HydrophobicContact CB-CD1 3.94Å; N151-I153 HydrophobicContact CB-CG1 3.94Å; N151-I153 PolarHBondContact O-N 3.43Å
152A98.4Very high98Very high44 Ų4436.7 Ų36.736%0.36419%0.192SC..THydrogen-bonded Turntrans5826.7-177.100000114.9R24 S148 N154R24-A152 HydrophobicContact CG-CB 4.21Å; S148-A152 CarbonylContact O-C 3.58Å; S148-A152 VanDerWaalsContact O-CA 3.25Å; S148-A152 WeakPolarHBondContact O-CA 3.13Å; S148-A152 PolarHBondContact O-N 3.04Å; A152-N154 PolarHBondContact O-N 2.93Å
153I98.8Very high97.8Very high63 Ų6336.3 Ų36.332%0.32319%0.188SC..BIsolated β-bridgetrans-76.6125.2-178.8-59.3171.4000109.5T147 S148 N151 I155T147-I153 WeakPolarHBondContact CA-O 3.3Å; S148-I153 PolarHBondContact N-O 3.29Å; S148-I153 PolarHBondContact O-N 2.87Å; N151-I153 HydrophobicContact CB-CD1 3.94Å; N151-I153 HydrophobicContact CB-CG1 3.94Å; N151-I153 PolarHBondContact O-N 3.43Å; I153-I155 PolarHBondContact O-N 3.4Å
154N98.6Very high97Very high63 Ų6340.6 Ų40.634%0.33721%0.208SC..THydrogen-bonded Turntrans53.820.7174.6-54.2-12.4000115.4V145 E146 T147 A152 E157 V158V145-N154 HydrophobicContact CG1-CB 3.54Å; E146-N154 VanDerWaalsContact O-CB 3.29Å; E146-N154 WeakPolarHBondContact O-CB 3.44Å; E146-N154 PolarHBondContact O-ND2 2.95Å; T147-N154 HydrophobicContact CG2-CB 4.36Å; A152-N154 PolarHBondContact O-N 2.93Å; N154-E157 HydrophobicContact CB-CB 4.13Å; N154-E157 WeakPolarHBondContact CB-OE2 3.44Å; N154-E157 PolarHBondContact O-N 2.81Å; N154-E157 PolarHBondContact OD1-OE2 3.47Å; N154-E157 VanDerWaalsContact OD1-OE2 3.11Å; N154-V158 PolarHBondContact O-N 2.78Å; N154-V158 VanDerWaalsContact O-N 3.12Å
155I98.6Very high96.9Very high3 Ų340.8 Ų40.82%0.01521%0.21CC..Hα-helixtrans-68.7-44.4-179.7-61-67.3000110.8I21 R24 F25 T147 A149 I153 E157 V158 F159I21-I155 HydrophobicContact CB-CD1 4.38Å; I21-I155 HydrophobicContact CG1-CD1 3.99Å; I21-I155 HydrophobicContact CG2-CD1 4.17Å; R24-I155 HydrophobicContact CB-CG1 4.45Å; R24-I155 HydrophobicContact CB-CG2 4.27Å; R24-I155 HydrophobicContact CG-CB 4.14Å; R24-I155 HydrophobicContact CG-CD1 4.44Å; R24-I155 HydrophobicContact CG-CG1 3.73Å; R24-I155 HydrophobicContact CG-CG2 3.95Å; F25-I155 HydrophobicContact CB-CG2 3.71Å; F25-I155 HydrophobicContact CD2-CG2 4.35Å; T147-I155 HydrophobicContact CG2-CD1 4.43Å; A149-I155 HydrophobicContact CB-CD1 4.44Å; I153-I155 PolarHBondContact O-N 3.4Å; I155-E157 VanDerWaalsContact C-N 3.33Å; I155-V158 WeakPolarHBondContact O-CG1 3.38Å; I155-F159 VanDerWaalsContact O-CD2 3.29Å; I155-F159 WeakPolarHBondContact O-CD2 3.45Å
156N96.9Very high96.8Very high91 Ų9142.5 Ų42.549%0.48722%0.219SC..Hα-helixtrans-69.4-35.8175.5-67.8-62.4000111.6F25 F159 V160F25-N156 WeakPolarHBondContact CD2-OD1 3.48Å; F25-N156 WeakPolarHBondContact CE2-OD1 3.2Å; N156-F159 PolarHBondContact O-N 3.38Å; N156-V160 WeakPolarHBondContact O-CG2 3.11Å; N156-V160 PolarHBondContact O-N 2.63Å
157E97.3Very high96.7Very high85 Ų8543.6 Ų43.640%0.39723%0.225SC..Hα-helixtrans-58.7-50.7-178.7-174.9176.8-179.800111.9N154 I155 F159 V160 E161N154-E157 HydrophobicContact CB-CB 4.13Å; N154-E157 WeakPolarHBondContact CB-OE2 3.44Å; N154-E157 PolarHBondContact O-N 2.81Å; N154-E157 PolarHBondContact OD1-OE2 3.47Å; N154-E157 VanDerWaalsContact OD1-OE2 3.11Å; I155-E157 VanDerWaalsContact C-N 3.33Å; E157-F159 PolarHBondContact O-N 3.49Å; E157-F159 VanDerWaalsContact O-N 3.15Å; E157-V160 PolarHBondContact O-N 3.07Å; E157-E161 HydrophobicContact CG-CG 4.23Å; E157-E161 WeakPolarHBondContact O-CG 3.28Å; E157-E161 PolarHBondContact O-N 2.9Å
158V98.4Very high96.6Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-60.5-30.6-179.870.70000113.4I82 A114 V145 T147 N154 I155 I162I82-V158 HydrophobicContact CD1-CG1 4.48Å; I82-V158 HydrophobicContact CD1-CG2 4.3Å; I82-V158 HydrophobicContact CG1-CG2 4.49Å; I82-V158 HydrophobicContact CG2-CG2 4.15Å; A114-V158 HydrophobicContact CB-CG2 4.26Å; V145-V158 HydrophobicContact CB-CB 4.13Å; V145-V158 HydrophobicContact CB-CG2 4.2Å; V145-V158 HydrophobicContact CG1-CB 4.19Å; V145-V158 HydrophobicContact CG2-CB 4.19Å; V145-V158 HydrophobicContact CG2-CG2 4.23Å; T147-V158 HydrophobicContact CG2-CB 4.39Å; T147-V158 HydrophobicContact CG2-CG1 4.25Å; N154-V158 PolarHBondContact O-N 2.78Å; N154-V158 VanDerWaalsContact O-N 3.12Å; I155-V158 WeakPolarHBondContact O-CG1 3.38Å; V158-I162 WeakPolarHBondContact O-CG1 3.25Å
159F98Very high96.5Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-80.6-32.5175.1-76.8-89.4000112.7I21 F25 F56 I58 I82 I155 N156 E157 I162 S163I21-F159 HydrophobicContact CG2-CE2 3.86Å; I21-F159 HydrophobicContact CG2-CZ 4.37Å; F25-F159 HydrophobicContact CB-CD2 4.05Å; F25-F159 HydrophobicContact CB-CE2 3.63Å; F25-F159 HydrophobicContact CB-CZ 4.16Å; F25-F159 AromaticContact CD1-CD1 3.91Å; F25-F159 HydrophobicContact CD1-CD1 3.91Å; F25-F159 AromaticContact CD1-CD2 3.85Å; F25-F159 HydrophobicContact CD1-CD2 3.85Å; F25-F159 AromaticContact CD1-CE1 3.88Å; F25-F159 HydrophobicContact CD1-CE1 3.88Å; F25-F159 AromaticContact CD1-CE2 3.82Å; F25-F159 HydrophobicContact CD1-CE2 3.82Å; F25-F159 AromaticContact CD1-CG 3.9Å; F25-F159 HydrophobicContact CD1-CG 3.9Å; F25-F159 AromaticContact CD1-CZ 3.84Å; F25-F159 HydrophobicContact CD1-CZ 3.84Å; F25-F159 HydrophobicContact CD2-CB 4.31Å; F25-F159 AromaticContact CD2-CD2 3.66Å; F25-F159 HydrophobicContact CD2-CD2 3.66Å; F25-F159 HydrophobicContact CD2-CE2 4.14Å; F25-F159 HydrophobicContact CD2-CG 4.04Å; F25-F159 HydrophobicContact CE1-CB 4.18Å; F25-F159 AromaticContact CE1-CD1 3.71Å; F25-F159 HydrophobicContact CE1-CD1 3.71Å; F25-F159 HydrophobicContact CE1-CD2 4.17Å; F25-F159 HydrophobicContact CE1-CE1 4.09Å; F25-F159 AromaticContact CE1-CG 3.75Å; F25-F159 HydrophobicContact CE1-CG 3.75Å; F25-F159 HydrophobicContact CE1-CZ 4.47Å; F25-F159 HydrophobicContact CE2-CB 3.77Å; F25-F159 HydrophobicContact CE2-CD2 4Å; F25-F159 AromaticContact CE2-CG 3.92Å; F25-F159 HydrophobicContact CE2-CG 3.92Å; F25-F159 HydrophobicContact CG-CD1 4.47Å; F25-F159 AromaticContact CG-CD2 3.58Å; F25-F159 HydrophobicContact CG-CD2 3.58Å; F25-F159 HydrophobicContact CG-CE1 4.5Å; F25-F159 AromaticContact CG-CE2 3.6Å; F25-F159 HydrophobicContact CG-CE2 3.6Å; F25-F159 HydrophobicContact CG-CG 4.04Å; F25-F159 HydrophobicContact CG-CZ 4.08Å; F25-F159 HydrophobicContact CZ-CB 3.69Å; F25-F159 HydrophobicContact CZ-CD1 4.12Å; F25-F159 HydrophobicContact CZ-CD2 4.24Å; F25-F159 AromaticContact CZ-CG 3.76Å; F25-F159 HydrophobicContact CZ-CG 3.76Å; F56-F159 HydrophobicContact CD1-CD1 4.17Å; F56-F159 HydrophobicContact CE1-CB 4.33Å; F56-F159 HydrophobicContact CE1-CD1 4.33Å; F56-F159 WeakPolarHBondContact CE1-O 3.5Å; F56-F159 HydrophobicContact CG-CD1 4.48Å; F56-F159 HydrophobicContact CZ-CB 4.12Å; F56-F159 WeakPolarHBondContact CZ-O 3.41Å; I58-F159 HydrophobicContact CD1-CE1 3.79Å; I58-F159 HydrophobicContact CD1-CZ 4.3Å; I58-F159 HydrophobicContact CG1-CE1 4.18Å; I58-F159 HydrophobicContact CG2-CE1 4.44Å; I82-F159 HydrophobicContact CD1-CD1 4.09Å; I82-F159 HydrophobicContact CD1-CD2 4.42Å; I82-F159 HydrophobicContact CD1-CE1 3.82Å; I82-F159 HydrophobicContact CD1-CE2 4.19Å; I82-F159 HydrophobicContact CD1-CG 4.39Å; I82-F159 HydrophobicContact CD1-CZ 3.88Å; I155-F159 VanDerWaalsContact O-CD2 3.29Å; I155-F159 WeakPolarHBondContact O-CD2 3.45Å; N156-F159 PolarHBondContact O-N 3.38Å; E157-F159 PolarHBondContact O-N 3.49Å; E157-F159 VanDerWaalsContact O-N 3.15Å; F159-I162 HydrophobicContact CD1-CD1 4.35Å; F159-I162 WeakPolarHBondContact O-CG1 3.2Å; F159-S163 WeakPolarHBondContact O-CB 3.22Å; F159-S163 PolarHBondContact O-OG 2.89Å
160V95.1Very high96.3Very high33 Ų3352.2 Ų52.220%0.227%0.269CS..Hα-helixtrans-68.4-48.3176167.30000110.6Y49 N156 E157 I162 S163 E164Y49-V160 HydrophobicContact CD2-CG1 3.71Å; Y49-V160 HydrophobicContact CD2-CG2 4.37Å; Y49-V160 HydrophobicContact CE1-CG1 4.36Å; Y49-V160 HydrophobicContact CE2-CG1 3.34Å; Y49-V160 HydrophobicContact CG-CG1 4.4Å; N156-V160 WeakPolarHBondContact O-CG2 3.11Å; N156-V160 PolarHBondContact O-N 2.63Å; E157-V160 PolarHBondContact O-N 3.07Å; V160-I162 VanDerWaalsContact C-N 3.31Å; V160-I162 PolarHBondContact O-N 2.84Å; V160-S163 WeakPolarHBondContact O-CA 3.29Å; V160-S163 WeakPolarHBondContact O-CB 3.5Å; V160-S163 PolarHBondContact O-N 3.01Å; V160-S163 PolarHBondContact O-OG 3.03Å; V160-E164 PolarHBondContact O-N 3.44Å
161E96.1Very high96.2Very high72 Ų7248.6 Ų48.634%0.33626%0.256SS..Hα-helixtrans-56.6-40.2-179.3-72.7-74150.300112.8I143 E157 S163I143-E161 HydrophobicContact CD1-CB 4.23Å; I143-E161 HydrophobicContact CG2-CB 3.94Å; I143-E161 HydrophobicContact CG2-CG 4.38Å; E157-E161 HydrophobicContact CG-CG 4.23Å; E157-E161 WeakPolarHBondContact O-CG 3.28Å; E157-E161 PolarHBondContact O-N 2.9Å; E161-S163 PolarHBondContact O-N 3.48Å
162I96.3Very high96Very high3 Ų345.1 Ų45.12%0.01524%0.237CC..THydrogen-bonded Turntrans-76.5-7.2176.663.8170.2000113.8V8 A80 I82 V112 A114 I143 V158 F159 V160V8-I162 HydrophobicContact CB-CD1 4.43Å; V8-I162 HydrophobicContact CG1-CD1 3.7Å; V8-I162 HydrophobicContact CG2-CD1 3.79Å; A80-I162 HydrophobicContact CB-CB 3.87Å; A80-I162 HydrophobicContact CB-CD1 3.9Å; A80-I162 HydrophobicContact CB-CG1 4.32Å; A80-I162 HydrophobicContact CB-CG2 4.42Å; I82-I162 HydrophobicContact CD1-CD1 3.85Å; I82-I162 HydrophobicContact CG1-CD1 3.91Å; V112-I162 HydrophobicContact CG1-CB 4.29Å; V112-I162 HydrophobicContact CG1-CG2 4.22Å; A114-I162 HydrophobicContact CB-CG2 3.52Å; I143-I162 HydrophobicContact CD1-CG2 3.96Å; V158-I162 WeakPolarHBondContact O-CG1 3.25Å; F159-I162 HydrophobicContact CD1-CD1 4.35Å; F159-I162 WeakPolarHBondContact O-CG1 3.2Å; V160-I162 VanDerWaalsContact C-N 3.31Å; V160-I162 PolarHBondContact O-N 2.84Å
163S92.7Very high95.8Very high0 Ų045.2 Ų45.20%023%0.226CC..THydrogen-bonded Turntrans-105.3-6.2-175.281.10000114R4 H54 F159 V160 E161R4-S163 PolarHBondContact NH1-O 3.4Å; R4-S163 PolarHBondContact NH2-O 3.24Å; H54-S163 PolarHBondContact CE1-O 3.25Å; H54-S163 VanDerWaalsContact ND1-CB 3.31Å; H54-S163 WeakPolarHBondContact ND1-CB 3.35Å; H54-S163 PolarHBondContact ND1-OG 3.13Å; F159-S163 WeakPolarHBondContact O-CB 3.22Å; F159-S163 PolarHBondContact O-OG 2.89Å; V160-S163 WeakPolarHBondContact O-CA 3.29Å; V160-S163 WeakPolarHBondContact O-CB 3.5Å; V160-S163 PolarHBondContact O-N 3.01Å; V160-S163 PolarHBondContact O-OG 3.03Å; E161-S163 PolarHBondContact O-N 3.48Å
164E83.1Confident95.6Very high129 Ų12943.5 Ų43.560%0.60322%0.217SC*.  trans-61.50169.5-51.2-157145.100110.3R4 Y49 V160R4-E164 PolarHBondContact NH1-O 3.42Å; R4-E164 PolarHBondContact NH2-O 3.37Å; R4-E164 PolarHBondContact NH2-OXT 2.82Å; Y49-E164 HydrophobicContact CE1-CG 4.21Å; Y49-E164 PolarHBondContact OH-OE1 3.27Å; V160-E164 PolarHBondContact O-N 3.44Å

Retrieved 164 of 164 residues in 460.1 ms (Link to these results)

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