A0A077ZKW0_TRITR Loading...

CSD and DUF1905 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M71.3Confident90.9Very high235 Ų23588.4 Ų88.4100%1.15841%0.408SS*.  0137.20-163.1166.8-166.600106.2E3M1-E3 PolarHBondContact O-N 2.83Å
2K83.8Confident91.1Very high137 Ų13784 Ų8460%0.59640%0.399SS*.  trans-73127.7-179.2-164.6166.3169.1-167.90108.1Y4 E31K2-Y4 HydrophobicContact CB-CE2 4Å; K2-Y4 HydrophobicContact CD-CE1 4.43Å; K2-Y4 HydrophobicContact CD-CE2 4.3Å; K2-Y4 VanDerWaalsContact CD-OH 3.29Å; K2-Y4 WeakPolarHBondContact CD-OH 3.48Å; K2-Y4 HydrophobicContact CG-CE2 3.87Å; K2-E31 IonicContact NZ-OE1 3.36Å; K2-E31 IonicContact NZ-OE2 3.03Å; K2-E31 PolarHBondContact NZ-OE2 2.79Å
3E88.6Confident90.6Very high139 Ų13982.4 Ų82.465%0.6540%0.402SS*.  trans-102.7140.8179-166.8179.9-176.500108.7M1 K5M1-E3 PolarHBondContact O-N 2.83Å; E3-K5 HydrophobicContact CG-CG 4.37Å; E3-K5 WeakPolarHBondContact OE1-CE 3.48Å; E3-K5 IonicContact OE1-NZ 2.65Å; E3-K5 WeakPolarHBondContact OE2-CE 3.4Å; E3-K5 IonicContact OE2-NZ 3.27Å
4Y92.5Very high89.8Confident44 Ų4483.9 Ų83.917%0.17341%0.408CS..  trans-125.1124.7179.8-60.7-98.4000107.9K2 F24 Y26 E31 F32K2-Y4 HydrophobicContact CB-CE2 4Å; K2-Y4 HydrophobicContact CD-CE1 4.43Å; K2-Y4 HydrophobicContact CD-CE2 4.3Å; K2-Y4 VanDerWaalsContact CD-OH 3.29Å; K2-Y4 WeakPolarHBondContact CD-OH 3.48Å; K2-Y4 HydrophobicContact CG-CE2 3.87Å; Y4-F24 HydrophobicContact CD1-CZ 4.21Å; Y4-F24 HydrophobicContact CD2-CZ 4.4Å; Y4-F24 HydrophobicContact CE1-CZ 4.46Å; Y4-F24 HydrophobicContact CG-CE2 4.17Å; Y4-F24 HydrophobicContact CG-CZ 4.16Å; Y4-Y26 HydrophobicContact CD1-CD1 4.04Å; Y4-Y26 AromaticContact CD1-CD2 3.56Å; Y4-Y26 HydrophobicContact CD1-CD2 3.56Å; Y4-Y26 AromaticContact CD1-CE1 3.99Å; Y4-Y26 HydrophobicContact CD1-CE1 3.99Å; Y4-Y26 AromaticContact CD1-CE2 3.52Å; Y4-Y26 HydrophobicContact CD1-CE2 3.52Å; Y4-Y26 AromaticContact CD1-CG 3.84Å; Y4-Y26 HydrophobicContact CD1-CG 3.84Å; Y4-Y26 AromaticContact CD1-CZ 3.75Å; Y4-Y26 HydrophobicContact CE1-CD1 4.12Å; Y4-Y26 HydrophobicContact CE1-CD2 4.2Å; Y4-Y26 HydrophobicContact CE1-CE1 4.39Å; Y4-Y26 HydrophobicContact CE1-CE2 4.48Å; Y4-Y26 HydrophobicContact CE1-CG 4.02Å; Y4-Y26 HydrophobicContact CG-CD2 4.29Å; Y4-Y26 HydrophobicContact CG-CE2 4.16Å; Y4-E31 PolarHBondContact OH-OE2 3.39Å; Y4-F32 HydrophobicContact CE2-CE1 4.21Å; Y4-F32 AromaticContact CE2-CZ 3.6Å; Y4-F32 HydrophobicContact CE2-CZ 3.6Å; Y4-F32 AromaticContact CZ-CZ 3.81Å
5K91.4Very high88.1Confident75 Ų7588.1 Ų88.133%0.32644%0.44SS..  trans-123.1123.1-175.5-62.6170.8170.1-164.60107.3E3 Y88 E109E3-K5 HydrophobicContact CG-CG 4.37Å; E3-K5 WeakPolarHBondContact OE1-CE 3.48Å; E3-K5 IonicContact OE1-NZ 2.65Å; E3-K5 WeakPolarHBondContact OE2-CE 3.4Å; E3-K5 IonicContact OE2-NZ 3.27Å; K5-Y88 HydrophobicContact CB-CD1 4.15Å; K5-Y88 HydrophobicContact CB-CD2 3.64Å; K5-Y88 HydrophobicContact CB-CE1 4.3Å; K5-Y88 HydrophobicContact CB-CE2 3.84Å; K5-Y88 HydrophobicContact CB-CG 3.83Å; K5-Y88 HydrophobicContact CD-CD2 4.2Å; K5-Y88 HydrophobicContact CD-CE1 3.99Å; K5-Y88 HydrophobicContact CD-CE2 3.46Å; K5-Y88 VanDerWaalsContact CD-CE2 3.46Å; K5-Y88 WeakPolarHBondContact CD-OH 3.19Å; K5-Y88 VanDerWaalsContact CE-OH 3.26Å; K5-Y88 WeakPolarHBondContact CE-OH 3.39Å; K5-Y88 HydrophobicContact CG-CD2 3.7Å; K5-Y88 HydrophobicContact CG-CE1 4.44Å; K5-Y88 HydrophobicContact CG-CE2 3.41Å; K5-Y88 VanDerWaalsContact CG-CE2 3.41Å; K5-Y88 HydrophobicContact CG-CG 4.35Å; K5-Y88 PolarHBondContact NZ-OH 3.23Å; K5-E109 IonicContact NZ-OE2 3.76Å; K5-E109 PolarHBondContact NZ-OE2 3.13Å; K5-E109 VanDerWaalsContact NZ-OE2 3.1Å
6F93.4Very high86.6Confident60 Ų6087.8 Ų87.826%0.26347%0.466SS..  trans-166.3151.7-177.955.7-85.7000110.2I23 F24 P25 Y26F6-I23 VanDerWaalsContact CE2-O 3.32Å; F6-I23 WeakPolarHBondContact CE2-O 3.03Å; F6-F24 AromaticContact CE1-CD2 3.66Å; F6-F24 HydrophobicContact CE1-CD2 3.66Å; F6-F24 AromaticContact CE1-CE2 3.82Å; F6-F24 HydrophobicContact CE1-CE2 3.82Å; F6-F24 AromaticContact CZ-CD2 3.54Å; F6-F24 HydrophobicContact CZ-CD2 3.54Å; F6-F24 HydrophobicContact CZ-CE2 4.18Å; F6-F24 HydrophobicContact CZ-CG 4.49Å; F6-P25 HydrophobicContact CB-CG 4.07Å; F6-P25 HydrophobicContact CD1-CG 4.04Å; F6-P25 VanDerWaalsContact CD2-CD 3.4Å; F6-P25 HydrophobicContact CD2-CG 3.72Å; F6-P25 HydrophobicContact CE1-CG 4.49Å; F6-P25 HydrophobicContact CE2-CG 4.21Å; F6-P25 HydrophobicContact CG-CG 3.64Å; F6-Y26 AromaticContact CD1-CE2 3.74Å; F6-Y26 HydrophobicContact CD1-CE2 3.74Å; F6-Y26 HydrophobicContact CE1-CE2 4.17Å; F6-Y26 HydrophobicContact CG-CE2 4.47Å
7D94Very high86Confident95 Ų9591.8 Ų91.851%0.50848%0.479SS..  trans-83.6147.3170.7-56.8-22.4000109.8V85 V86 L87 Y88D7-V85 HydrophobicContact CB-CG1 3.97Å; D7-V86 WeakPolarHBondContact CA-O 3.24Å; D7-L87 HydrophobicContact CB-CD2 4.18Å; D7-L87 WeakPolarHBondContact OD1-CA 3.27Å; D7-Y88 PolarHBondContact OD1-N 2.93Å
8S96.1Very high85.6Confident14 Ų1489.2 Ų89.210%0.09848%0.477CS..EExtended strand (participates in β ladder)trans-152.1137.2178.7-161.60000112.5I23 V86S8-I23 PolarHBondContact OG-N 3.06Å; S8-I23 PolarHBondContact OG-O 3Å; S8-V86 PolarHBondContact N-O 2.58Å; S8-V86 PolarHBondContact O-N 3.4Å
9K96.3Very high85.9Confident93 Ų9386.1 Ų86.140%0.40447%0.468SS..EExtended strand (participates in β ladder)trans-70.8145175.4-176.8175.5-1761740110.9Y11 G83 D84K9-Y11 HydrophobicContact CB-CD2 4.43Å; K9-Y11 HydrophobicContact CB-CE2 3.69Å; K9-Y11 HydrophobicContact CD-CE1 4.17Å; K9-Y11 HydrophobicContact CG-CE2 4.19Å; K9-Y11 WeakPolarHBondContact O-CD2 3.48Å; K9-Y11 WeakPolarHBondContact O-CE2 3.44Å; K9-G83 VanDerWaalsContact CE-CA 3.49Å; K9-G83 VanDerWaalsContact CE-O 3.26Å; K9-G83 WeakPolarHBondContact CE-O 3.33Å; K9-D84 CarbonylContact C-O 3.57Å; K9-D84 WeakPolarHBondContact CA-O 3.31Å
10I96.8Very high86.4Confident0 Ų082.2 Ų82.20%045%0.448CS..EExtended strand (participates in β ladder)trans-83.3119.3171.2-56.8175.9000109.2A20 V22 I70 R75 K80 I82 G83 D84 V86I10-A20 HydrophobicContact CG2-CB 3.88Å; I10-V22 HydrophobicContact CG1-CG1 4.34Å; I10-I70 HydrophobicContact CD1-CD1 4.25Å; I10-I70 HydrophobicContact CG2-CG2 4.03Å; I10-R75 HydrophobicContact CD1-CG 4.23Å; I10-K80 HydrophobicContact CD1-CB 3.77Å; I10-I82 HydrophobicContact CG2-CD1 3.75Å; I10-G83 PolarHBondContact O-N 3.43Å; I10-D84 PolarHBondContact N-O 2.69Å; I10-V86 HydrophobicContact CD1-CG2 3.68Å; I10-V86 HydrophobicContact CG1-CG2 3.64Å
11Y95.6Very high86.9Confident80 Ų8079.8 Ų79.831%0.31443%0.433SS..EExtended strand (participates in β ladder)trans-107.4146.6177.1-61.5-93000110.9K9 A20 Y21 I23K9-Y11 HydrophobicContact CB-CD2 4.43Å; K9-Y11 HydrophobicContact CB-CE2 3.69Å; K9-Y11 HydrophobicContact CD-CE1 4.17Å; K9-Y11 HydrophobicContact CG-CE2 4.19Å; K9-Y11 WeakPolarHBondContact O-CD2 3.48Å; K9-Y11 WeakPolarHBondContact O-CE2 3.44Å; Y11-A20 CarbonylContact O-C 3.48Å; Y11-A20 WeakPolarHBondContact O-CA 3.42Å; Y11-Y21 HydrophobicContact CD2-CD2 4.32Å; Y11-Y21 AromaticContact CD2-CE2 3.96Å; Y11-Y21 HydrophobicContact CD2-CE2 3.96Å; Y11-Y21 AromaticContact CG-CE2 3.91Å; Y11-Y21 HydrophobicContact CG-CE2 3.91Å; Y11-Y21 PolarHBondContact N-O 2.82Å; Y11-Y21 PolarHBondContact O-N 2.87Å; Y11-I23 HydrophobicContact CD2-CD1 4.21Å; Y11-I23 HydrophobicContact CD2-CG1 4.04Å; Y11-I23 HydrophobicContact CE1-CD1 4.49Å; Y11-I23 HydrophobicContact CE2-CD1 3.49Å; Y11-I23 VanDerWaalsContact CE2-CD1 3.49Å; Y11-I23 HydrophobicContact CE2-CG1 3.65Å
12A93.3Very high88.1Confident36 Ų3668.8 Ų68.830%0.29838%0.379SS..EExtended strand (participates in β ladder)trans-76.6134.1170.900000109.9Y21 I82A12-Y21 WeakPolarHBondContact O-CE1 3.41Å; A12-I82 HydrophobicContact CB-CD1 4.02Å; A12-I82 HydrophobicContact CB-CG1 4.17Å; A12-I82 HydrophobicContact CB-CG2 4.07Å
13S84.3Confident88.7Confident63 Ų6364.1 Ų64.144%0.44136%0.36SS..SBendtrans-68.8-45.5176.164.30000111.9G19S13-G19 PolarHBondContact N-O 3.38Å; S13-G19 VanDerWaalsContact OG-C 3.25Å; S13-G19 VanDerWaalsContact OG-CA 3.23Å; S13-G19 WeakPolarHBondContact OG-CA 3.45Å; S13-G19 PolarHBondContact OG-O 2.89Å
14E79.5Confident89Confident104 Ų10458.1 Ų58.149%0.48633%0.332SS..SBendtrans-149.1131.3172.3-70.7-178.2-17300106.7G16 K17E14-G16 PolarHBondContact O-N 2.73Å; E14-G16 VanDerWaalsContact O-N 3.13Å; E14-K17 HydrophobicContact CB-CB 4.3Å; E14-K17 HydrophobicContact CB-CD 4.49Å; E14-K17 HydrophobicContact CB-CG 4.31Å; E14-K17 PolarHBondContact O-N 2.76Å; E14-K17 VanDerWaalsContact O-N 3.16Å; E14-K17 WeakPolarHBondContact OE2-CD 3.45Å; E14-K17 WeakPolarHBondContact OE2-CE 3.12Å; E14-K17 IonicContact OE2-NZ 2.67Å; E14-K17 PolarHBondContact OE2-NZ 3.01Å
15V64.9Low89.1Confident147 Ų14759.8 Ų59.889%0.89135%0.348SS*.THydrogen-bonded Turntrans-57.5121.5-178.9-177.80000109.1
16G63.4Low89.2Confident83 Ų8360.2 Ų60.286%0.85635%0.348SS*.THydrogen-bonded Turntrans91.2-9.1177.300000116.7E14E14-G16 PolarHBondContact O-N 2.73Å; E14-G16 VanDerWaalsContact O-N 3.13Å
17K77.5Confident89.1Confident156 Ų15660.6 Ų60.668%0.67835%0.353SS*.SBendtrans-94.5-2.5177.5-64.6-157-171155.80114.9E14 G19E14-K17 HydrophobicContact CB-CB 4.3Å; E14-K17 HydrophobicContact CB-CD 4.49Å; E14-K17 HydrophobicContact CB-CG 4.31Å; E14-K17 PolarHBondContact O-N 2.76Å; E14-K17 VanDerWaalsContact O-N 3.16Å; E14-K17 WeakPolarHBondContact OE2-CD 3.45Å; E14-K17 WeakPolarHBondContact OE2-CE 3.12Å; E14-K17 IonicContact OE2-NZ 2.67Å; E14-K17 PolarHBondContact OE2-NZ 3.01Å; K17-G19 PolarHBondContact O-N 2.63Å; K17-G19 VanDerWaalsContact O-N 3.13Å
18G79.1Confident89Confident44 Ų4456 Ų5645%0.45433%0.329SS..  trans75.8-6.8171.400000116.1R75G18-R75 PolarHBondContact O-NH2 2.9Å; G18-R75 VanDerWaalsContact O-NH2 3.09Å
19G91.2Very high88.9Confident30 Ų3062.5 Ų62.531%0.30935%0.351SS..  trans-69.1142.1170.100000111.2S13 K17S13-G19 PolarHBondContact N-O 3.38Å; S13-G19 VanDerWaalsContact OG-C 3.25Å; S13-G19 VanDerWaalsContact OG-CA 3.23Å; S13-G19 WeakPolarHBondContact OG-CA 3.45Å; S13-G19 PolarHBondContact OG-O 2.89Å; K17-G19 PolarHBondContact O-N 2.63Å; K17-G19 VanDerWaalsContact O-N 3.13Å
20A95.7Very high88.7Confident8 Ų865.7 Ų65.77%0.06637%0.367CS..EExtended strand (participates in β ladder)trans-140.1153.9179.900000110.1I10 Y11 G69 I70 I82I10-A20 HydrophobicContact CG2-CB 3.88Å; Y11-A20 CarbonylContact O-C 3.48Å; Y11-A20 WeakPolarHBondContact O-CA 3.42Å; A20-G69 WeakPolarHBondContact O-CA 3.45Å; A20-I70 HydrophobicContact CB-CG2 3.75Å; A20-I70 PolarHBondContact O-N 2.76Å; A20-I82 HydrophobicContact CB-CD1 3.56Å
21Y96.5Very high88.5Confident32 Ų3268.9 Ų68.913%0.12538%0.382CS..EExtended strand (participates in β ladder)trans-146.7160.2177.964.9-90.8000111.3Y11 A12 I23 I67 L68Y11-Y21 HydrophobicContact CD2-CD2 4.32Å; Y11-Y21 AromaticContact CD2-CE2 3.96Å; Y11-Y21 HydrophobicContact CD2-CE2 3.96Å; Y11-Y21 AromaticContact CG-CE2 3.91Å; Y11-Y21 HydrophobicContact CG-CE2 3.91Å; Y11-Y21 PolarHBondContact N-O 2.82Å; Y11-Y21 PolarHBondContact O-N 2.87Å; A12-Y21 WeakPolarHBondContact O-CE1 3.41Å; Y21-I23 HydrophobicContact CE2-CG1 4.32Å; Y21-I67 HydrophobicContact CD1-CD1 4.14Å; Y21-I67 HydrophobicContact CD2-CB 3.62Å; Y21-I67 HydrophobicContact CD2-CD1 4.08Å; Y21-I67 HydrophobicContact CD2-CG1 4.45Å; Y21-I67 HydrophobicContact CD2-CG2 3.35Å; Y21-I67 HydrophobicContact CE2-CB 4.31Å; Y21-I67 HydrophobicContact CE2-CG2 3.54Å; Y21-I67 HydrophobicContact CG-CB 4.06Å; Y21-I67 HydrophobicContact CG-CD1 3.81Å; Y21-I67 HydrophobicContact CG-CG2 4.19Å; Y21-L68 CarbonylContact C-O 3.58Å; Y21-L68 VanDerWaalsContact CA-O 3.24Å; Y21-L68 WeakPolarHBondContact CA-O 3.29Å; Y21-L68 WeakPolarHBondContact CB-O 3.44Å
22V97Very high88.3Confident5 Ų568.4 Ų68.43%0.0338%0.382CS..EExtended strand (participates in β ladder)trans-109153.3165-62.60000109.5I10 F43 I67 L68 V86I10-V22 HydrophobicContact CG1-CG1 4.34Å; V22-F43 HydrophobicContact CG1-CE1 4.24Å; V22-F43 HydrophobicContact CG2-CE1 3.69Å; V22-F43 HydrophobicContact CG2-CZ 4.25Å; V22-I67 VanDerWaalsContact O-CA 3.27Å; V22-I67 WeakPolarHBondContact O-CA 3.27Å; V22-L68 HydrophobicContact CG2-CB 4Å; V22-L68 PolarHBondContact N-O 2.59Å; V22-L68 PolarHBondContact O-N 2.68Å; V22-V86 HydrophobicContact CG1-CG2 4.3Å
23I96.1Very high88.3Confident39 Ų3969.9 Ų69.920%0.240%0.4CS..EExtended strand (participates in β ladder)trans-81.1131.3174-66.6175.8000108.6F6 S8 Y11 Y21F6-I23 VanDerWaalsContact CE2-O 3.32Å; F6-I23 WeakPolarHBondContact CE2-O 3.03Å; S8-I23 PolarHBondContact OG-N 3.06Å; S8-I23 PolarHBondContact OG-O 3Å; Y11-I23 HydrophobicContact CD2-CD1 4.21Å; Y11-I23 HydrophobicContact CD2-CG1 4.04Å; Y11-I23 HydrophobicContact CE1-CD1 4.49Å; Y11-I23 HydrophobicContact CE2-CD1 3.49Å; Y11-I23 VanDerWaalsContact CE2-CD1 3.49Å; Y11-I23 HydrophobicContact CE2-CG1 3.65Å; Y21-I23 HydrophobicContact CE2-CG1 4.32Å
24F95.4Very high88.6Confident13 Ų1373.4 Ų73.46%0.05741%0.408CS..EExtended strand (participates in β ladder)trans-91.2111.7166.3-179.3-107000108.1Y4 F6 Y26 V28 F32 I52 Y66Y4-F24 HydrophobicContact CD1-CZ 4.21Å; Y4-F24 HydrophobicContact CD2-CZ 4.4Å; Y4-F24 HydrophobicContact CE1-CZ 4.46Å; Y4-F24 HydrophobicContact CG-CE2 4.17Å; Y4-F24 HydrophobicContact CG-CZ 4.16Å; F6-F24 AromaticContact CE1-CD2 3.66Å; F6-F24 HydrophobicContact CE1-CD2 3.66Å; F6-F24 AromaticContact CE1-CE2 3.82Å; F6-F24 HydrophobicContact CE1-CE2 3.82Å; F6-F24 AromaticContact CZ-CD2 3.54Å; F6-F24 HydrophobicContact CZ-CD2 3.54Å; F6-F24 HydrophobicContact CZ-CE2 4.18Å; F6-F24 HydrophobicContact CZ-CG 4.49Å; F24-Y26 VanDerWaalsContact CD1-O 3.27Å; F24-Y26 WeakPolarHBondContact CD1-O 3.23Å; F24-Y26 HydrophobicContact CD2-CD2 4.31Å; F24-Y26 HydrophobicContact CE1-CD2 4.07Å; F24-Y26 HydrophobicContact CE1-CG 4.28Å; F24-Y26 WeakPolarHBondContact CE1-O 3.2Å; F24-Y26 AromaticContact CE2-CD2 3.76Å; F24-Y26 HydrophobicContact CE2-CD2 3.76Å; F24-Y26 HydrophobicContact CE2-CE2 4.46Å; F24-Y26 AromaticContact CZ-CD2 3.63Å; F24-Y26 HydrophobicContact CZ-CD2 3.63Å; F24-Y26 HydrophobicContact CZ-CG 4.13Å; F24-Y26 PolarHBondContact O-N 3.41Å; F24-Y26 VanDerWaalsContact O-N 3.14Å; F24-V28 HydrophobicContact CD1-CG2 3.55Å; F24-V28 HydrophobicContact CE1-CG2 3.66Å; F24-F32 HydrophobicContact CE1-CE2 4.29Å; F24-F32 HydrophobicContact CZ-CE2 4.29Å; F24-I52 HydrophobicContact CB-CD1 4.45Å; F24-I52 HydrophobicContact CB-CG2 3.88Å; F24-I52 HydrophobicContact CD1-CD1 4Å; F24-I52 HydrophobicContact CD1-CG2 3.91Å; F24-I52 HydrophobicContact CD2-CD1 3.58Å; F24-I52 HydrophobicContact CE1-CD1 4.05Å; F24-I52 HydrophobicContact CE2-CD1 3.69Å; F24-I52 HydrophobicContact CG-CD1 3.75Å; F24-I52 HydrophobicContact CG-CG1 4.43Å; F24-I52 HydrophobicContact CG-CG2 3.98Å; F24-I52 HydrophobicContact CZ-CD1 3.92Å; F24-Y66 PolarHBondContact N-O 2.84Å
25P93.9Very high89.2Confident78 Ų7870.2 Ų70.251%0.50640%0.402SS..  trans-805.7-164.831.6-35.9000114.5F6F6-P25 HydrophobicContact CB-CG 4.07Å; F6-P25 HydrophobicContact CD1-CG 4.04Å; F6-P25 VanDerWaalsContact CD2-CD 3.4Å; F6-P25 HydrophobicContact CD2-CG 3.72Å; F6-P25 HydrophobicContact CE1-CG 4.49Å; F6-P25 HydrophobicContact CE2-CG 4.21Å; F6-P25 HydrophobicContact CG-CG 3.64Å
26Y92.7Very high90.6Very high84 Ų8470.7 Ų70.733%0.32939%0.388SS..SBendtrans-110.3149.4-179.8-50.4-93.3000111.2Y4 F6 F24 V28Y4-Y26 HydrophobicContact CD1-CD1 4.04Å; Y4-Y26 AromaticContact CD1-CD2 3.56Å; Y4-Y26 HydrophobicContact CD1-CD2 3.56Å; Y4-Y26 AromaticContact CD1-CE1 3.99Å; Y4-Y26 HydrophobicContact CD1-CE1 3.99Å; Y4-Y26 AromaticContact CD1-CE2 3.52Å; Y4-Y26 HydrophobicContact CD1-CE2 3.52Å; Y4-Y26 AromaticContact CD1-CG 3.84Å; Y4-Y26 HydrophobicContact CD1-CG 3.84Å; Y4-Y26 AromaticContact CD1-CZ 3.75Å; Y4-Y26 HydrophobicContact CE1-CD1 4.12Å; Y4-Y26 HydrophobicContact CE1-CD2 4.2Å; Y4-Y26 HydrophobicContact CE1-CE1 4.39Å; Y4-Y26 HydrophobicContact CE1-CE2 4.48Å; Y4-Y26 HydrophobicContact CE1-CG 4.02Å; Y4-Y26 HydrophobicContact CG-CD2 4.29Å; Y4-Y26 HydrophobicContact CG-CE2 4.16Å; F6-Y26 AromaticContact CD1-CE2 3.74Å; F6-Y26 HydrophobicContact CD1-CE2 3.74Å; F6-Y26 HydrophobicContact CE1-CE2 4.17Å; F6-Y26 HydrophobicContact CG-CE2 4.47Å; F24-Y26 VanDerWaalsContact CD1-O 3.27Å; F24-Y26 WeakPolarHBondContact CD1-O 3.23Å; F24-Y26 HydrophobicContact CD2-CD2 4.31Å; F24-Y26 HydrophobicContact CE1-CD2 4.07Å; F24-Y26 HydrophobicContact CE1-CG 4.28Å; F24-Y26 WeakPolarHBondContact CE1-O 3.2Å; F24-Y26 AromaticContact CE2-CD2 3.76Å; F24-Y26 HydrophobicContact CE2-CD2 3.76Å; F24-Y26 HydrophobicContact CE2-CE2 4.46Å; F24-Y26 AromaticContact CZ-CD2 3.63Å; F24-Y26 HydrophobicContact CZ-CD2 3.63Å; F24-Y26 HydrophobicContact CZ-CG 4.13Å; F24-Y26 PolarHBondContact O-N 3.41Å; F24-Y26 VanDerWaalsContact O-N 3.14Å; Y26-V28 PolarHBondContact O-N 2.94Å; Y26-V28 VanDerWaalsContact O-N 3.15Å
27D91.6Very high92.2Very high68 Ų6867.8 Ų67.836%0.36435%0.354SS..  trans-74.4107.1175.5-169.2-36.4000110.5R29 E30 E31 Y66D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 3.12Å; D27-R29 WeakPolarHBondContact OD1-CA 3.41Å; D27-R29 WeakPolarHBondContact OD1-CB 3.39Å; D27-R29 PolarHBondContact OD1-N 2.83Å; D27-E30 HydrophobicContact CB-CB 3.91Å; D27-E30 PolarHBondContact O-N 3.32Å; D27-E30 PolarHBondContact OD1-N 3.11Å; D27-E31 VanDerWaalsContact O-CB 3.31Å; D27-E31 WeakPolarHBondContact O-CB 3.01Å; D27-E31 VanDerWaalsContact O-CG 3.24Å; D27-E31 WeakPolarHBondContact O-CG 3.44Å; D27-E31 PolarHBondContact O-N 3.3Å; D27-Y66 WeakPolarHBondContact OD1-CE2 3.29Å
28V92.5Very high93.1Very high0 Ų068.6 Ų68.60%036%0.358CS..Hα-helixtrans-64.4-30.6-177.7-179.70000112.4F24 Y26 F32 K34 V37 I52 Y66F24-V28 HydrophobicContact CD1-CG2 3.55Å; F24-V28 HydrophobicContact CE1-CG2 3.66Å; Y26-V28 PolarHBondContact O-N 2.94Å; Y26-V28 VanDerWaalsContact O-N 3.15Å; V28-F32 HydrophobicContact CB-CD2 4.26Å; V28-F32 HydrophobicContact CG1-CD2 3.74Å; V28-F32 HydrophobicContact CG1-CE2 4.42Å; V28-F32 WeakPolarHBondContact O-CA 3.49Å; V28-F32 WeakPolarHBondContact O-CB 3.49Å; V28-F32 WeakPolarHBondContact O-CD2 3.38Å; V28-F32 PolarHBondContact O-N 3.22Å; V28-K34 CarbonylContact C-O 3.58Å; V28-K34 WeakPolarHBondContact CG1-O 3.14Å; V28-V37 HydrophobicContact CG1-CB 4.19Å; V28-V37 HydrophobicContact CG1-CG2 3.44Å; V28-V37 VanDerWaalsContact CG1-CG2 3.44Å; V28-I52 HydrophobicContact CG2-CB 4.44Å; V28-I52 HydrophobicContact CG2-CG2 3.53Å; V28-Y66 HydrophobicContact CB-CD1 3.69Å; V28-Y66 HydrophobicContact CB-CD2 3.98Å; V28-Y66 HydrophobicContact CB-CE1 3.66Å; V28-Y66 HydrophobicContact CB-CE2 3.94Å; V28-Y66 HydrophobicContact CB-CG 3.85Å; V28-Y66 HydrophobicContact CG1-CD1 4.45Å; V28-Y66 HydrophobicContact CG1-CE1 4.39Å; V28-Y66 HydrophobicContact CG2-CD1 3.51Å; V28-Y66 HydrophobicContact CG2-CD2 3.68Å; V28-Y66 HydrophobicContact CG2-CE1 4.05Å; V28-Y66 HydrophobicContact CG2-CE2 4.18Å; V28-Y66 HydrophobicContact CG2-CG 3.31Å; V28-Y66 VanDerWaalsContact N-CE2 3.35Å
29R92.8Very high93.9Very high149 Ų14968 Ų6856%0.56235%0.345SS*.Hα-helixtrans-72.5-40.3176.9-83.9174.1-174.2-161.41.8111D27 G33 Y66D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 3.12Å; D27-R29 WeakPolarHBondContact OD1-CA 3.41Å; D27-R29 WeakPolarHBondContact OD1-CB 3.39Å; D27-R29 PolarHBondContact OD1-N 2.83Å; R29-G33 WeakPolarHBondContact O-CA 3.26Å; R29-G33 PolarHBondContact O-N 2.86Å; R29-Y66 WeakPolarHBondContact CD-OH 3.48Å; R29-Y66 WeakPolarHBondContact CG-OH 3.48Å
30E92.6Very high94.1Very high160 Ų16072.3 Ų72.375%0.74836%0.357SS*.Hα-helixtrans-66.8-47.3175.4-170.2175.2174.600111D27D27-E30 HydrophobicContact CB-CB 3.91Å; D27-E30 PolarHBondContact O-N 3.32Å; D27-E30 PolarHBondContact OD1-N 3.11Å
31E92.1Very high94.1Very high68 Ų6873 Ų7332%0.31836%0.362SS..Hα-helixtrans-71.7-36.7-175.2-71.3-71.2155.700113.5K2 Y4 D27K2-E31 IonicContact NZ-OE1 3.36Å; K2-E31 IonicContact NZ-OE2 3.03Å; K2-E31 PolarHBondContact NZ-OE2 2.79Å; Y4-E31 PolarHBondContact OH-OE2 3.39Å; D27-E31 VanDerWaalsContact O-CB 3.31Å; D27-E31 WeakPolarHBondContact O-CB 3.01Å; D27-E31 VanDerWaalsContact O-CG 3.24Å; D27-E31 WeakPolarHBondContact O-CG 3.44Å; D27-E31 PolarHBondContact O-N 3.3Å
32F92.2Very high94Very high70 Ų7075.1 Ų75.131%0.30738%0.379SS..Hα-helixtrans-126.6-2.8-170.2-51.6-77.6000114.7Y4 F24 V28 K34 V37Y4-F32 HydrophobicContact CE2-CE1 4.21Å; Y4-F32 AromaticContact CE2-CZ 3.6Å; Y4-F32 HydrophobicContact CE2-CZ 3.6Å; Y4-F32 AromaticContact CZ-CZ 3.81Å; F24-F32 HydrophobicContact CE1-CE2 4.29Å; F24-F32 HydrophobicContact CZ-CE2 4.29Å; V28-F32 HydrophobicContact CB-CD2 4.26Å; V28-F32 HydrophobicContact CG1-CD2 3.74Å; V28-F32 HydrophobicContact CG1-CE2 4.42Å; V28-F32 WeakPolarHBondContact O-CA 3.49Å; V28-F32 WeakPolarHBondContact O-CB 3.49Å; V28-F32 WeakPolarHBondContact O-CD2 3.38Å; V28-F32 PolarHBondContact O-N 3.22Å; F32-K34 PolarHBondContact O-N 3.01Å; F32-V37 HydrophobicContact CB-CG2 3.68Å; F32-V37 HydrophobicContact CD2-CG2 3.76Å; F32-V37 HydrophobicContact CG-CG1 4.47Å; F32-V37 HydrophobicContact CG-CG2 3.75Å
33G93.3Very high93.9Very high66 Ų6675.4 Ų75.468%0.6838%0.38SS*.SBendtrans66.614.6-177.900000114.4R29R29-G33 WeakPolarHBondContact O-CA 3.26Å; R29-G33 PolarHBondContact O-N 2.86Å
34K91Very high93.6Very high138 Ų13875 Ų7560%0.638%0.378SS*.SBendtrans-136.7153-173.7-64.4178-172.3175.80110.6V28 F32 V37V28-K34 CarbonylContact C-O 3.58Å; V28-K34 WeakPolarHBondContact CG1-O 3.14Å; F32-K34 PolarHBondContact O-N 3.01Å; K34-V37 HydrophobicContact CB-CG2 4.45Å
35G91.3Very high93.3Very high36 Ų3676 Ų7637%0.37139%0.392SS..SBendtrans-85.3-7.7174.300000114.9
36R95.3Very high93.2Very high158 Ų15873.5 Ų73.560%0.59638%0.375SS*.EExtended strand (participates in β ladder)trans-144.7134.8177.9172.7172.7-177.7-1755.5109.5S51 I52 V53R36-S51 PolarHBondContact NE-OG 2.92Å; R36-S51 PolarHBondContact NH2-OG 3.47Å; R36-S51 VanDerWaalsContact NH2-OG 3.09Å; R36-I52 WeakPolarHBondContact CA-O 3.26Å; R36-V53 HydrophobicContact CB-CG1 4.14Å; R36-V53 HydrophobicContact CG-CG1 3.67Å
37V95.6Very high93.3Very high22 Ų2274.6 Ų74.613%0.13339%0.387CS..EExtended strand (participates in β ladder)trans-133.4130.8179.5177.20000109.2V28 F32 K34 V39 S51 I52V28-V37 HydrophobicContact CG1-CB 4.19Å; V28-V37 HydrophobicContact CG1-CG2 3.44Å; V28-V37 VanDerWaalsContact CG1-CG2 3.44Å; F32-V37 HydrophobicContact CB-CG2 3.68Å; F32-V37 HydrophobicContact CD2-CG2 3.76Å; F32-V37 HydrophobicContact CG-CG1 4.47Å; F32-V37 HydrophobicContact CG-CG2 3.75Å; K34-V37 HydrophobicContact CB-CG2 4.45Å; V37-V39 HydrophobicContact CG1-CG1 4.02Å; V37-S51 CarbonylContact O-C 3.52Å; V37-S51 WeakPolarHBondContact O-CA 3.23Å; V37-I52 PolarHBondContact N-O 3.35Å; V37-I52 PolarHBondContact O-N 2.9Å
38K96.6Very high93.5Very high173 Ų17373.2 Ų73.275%0.75238%0.377SS*.EExtended strand (participates in β ladder)trans-76.6136.5169-73.8-173.2176.2-174.70108.8G50K38-G50 WeakPolarHBondContact CA-O 3.38Å
39V96.3Very high93.7Very high32 Ų3278.9 Ų78.919%0.19441%0.407CS..EExtended strand (participates in β ladder)trans-136.9150.3-178.6-62.80000110.4V37 A41 G50 I52 L68V37-V39 HydrophobicContact CG1-CG1 4.02Å; V39-A41 HydrophobicContact CG2-CB 4.46Å; V39-G50 PolarHBondContact N-O 3.47Å; V39-G50 VanDerWaalsContact N-O 3.16Å; V39-G50 PolarHBondContact O-N 3.19Å; V39-I52 HydrophobicContact CG1-CD1 3.6Å; V39-I52 HydrophobicContact CG1-CG1 3.91Å; V39-I52 HydrophobicContact CG2-CD1 4.37Å; V39-I52 HydrophobicContact CG2-CG1 3.98Å; V39-L68 HydrophobicContact CG2-CD1 3.83Å; V39-L68 HydrophobicContact CG2-CD2 4.13Å
40H96.3Very high93.9Very high120 Ų12072.5 Ų72.556%0.55639%0.387SS*.EExtended strand (participates in β ladder)trans-99.6121.2158-173.774.6000106.2D47 D49H40-D47 IonicContact CE1-OD1 3.1Å; H40-D47 IonicContact NE2-OD1 3.86Å; H40-D47 PolarHBondContact NE2-OD1 3.49Å; H40-D49 IonicContact CE1-OD1 2.69Å; H40-D49 IonicContact CG-OD1 3.97Å; H40-D49 IonicContact ND1-OD1 3.56Å; H40-D49 PolarHBondContact ND1-OD1 3.48Å; H40-D49 IonicContact ND1-OD2 3.81Å
41A95.2Very high94.1Very high22 Ų2265.9 Ų65.918%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-129162.7-176.100000109.8V39 Y48 L68V39-A41 HydrophobicContact CG2-CB 4.46Å; A41-Y48 PolarHBondContact N-O 3Å; A41-Y48 PolarHBondContact O-N 2.98Å; A41-L68 HydrophobicContact CB-CD2 3.73Å
42T94Very high94.4Very high77 Ų7762.9 Ų62.947%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-124137.3171.155.70000109.2V46 D47T42-V46 CarbonylContact C-O 3.58Å; T42-V46 WeakPolarHBondContact CA-O 3.36Å; T42-D47 WeakPolarHBondContact CG2-OD1 3.47Å
43F95Very high94.5Very high10 Ų1061 Ų614%0.04434%0.339CS..EExtended strand (participates in β ladder)trans-112.9110.4170.8-62.4-62.4000108.5V22 G45 V46 Y48 L68 I70 I74 I78 V86V22-F43 HydrophobicContact CG1-CE1 4.24Å; V22-F43 HydrophobicContact CG2-CE1 3.69Å; V22-F43 HydrophobicContact CG2-CZ 4.25Å; F43-G45 PolarHBondContact O-N 2.93Å; F43-G45 VanDerWaalsContact O-N 3.16Å; F43-V46 PolarHBondContact N-O 2.85Å; F43-V46 WeakPolarHBondContact O-CB 3.36Å; F43-V46 PolarHBondContact O-N 2.79Å; F43-Y48 HydrophobicContact CD2-CD1 4.29Å; F43-Y48 HydrophobicContact CD2-CG 4.2Å; F43-Y48 AromaticContact CE2-CD1 3.33Å; F43-Y48 HydrophobicContact CE2-CD1 3.33Å; F43-Y48 HydrophobicContact CE2-CE1 4.04Å; F43-Y48 AromaticContact CE2-CG 3.61Å; F43-Y48 HydrophobicContact CE2-CG 3.61Å; F43-Y48 AromaticContact CZ-CD1 3.9Å; F43-Y48 HydrophobicContact CZ-CD1 3.9Å; F43-Y48 HydrophobicContact CZ-CE1 4.37Å; F43-L68 HydrophobicContact CE1-CD2 4.26Å; F43-L68 HydrophobicContact CZ-CD2 3.77Å; F43-L68 HydrophobicContact CZ-CG 4.08Å; F43-I70 HydrophobicContact CB-CD1 4.1Å; F43-I70 HydrophobicContact CD1-CD1 3.99Å; F43-I70 HydrophobicContact CD1-CG1 4.48Å; F43-I70 HydrophobicContact CD2-CB 4.5Å; F43-I70 HydrophobicContact CD2-CD1 3.94Å; F43-I70 HydrophobicContact CD2-CG1 3.77Å; F43-I70 HydrophobicContact CE1-CB 4.46Å; F43-I70 HydrophobicContact CE1-CD1 4.34Å; F43-I70 HydrophobicContact CE1-CG1 4.49Å; F43-I70 HydrophobicContact CE2-CB 3.98Å; F43-I70 HydrophobicContact CE2-CD1 4.25Å; F43-I70 HydrophobicContact CE2-CG1 3.73Å; F43-I70 HydrophobicContact CG-CD1 3.75Å; F43-I70 HydrophobicContact CG-CG1 4.12Å; F43-I70 HydrophobicContact CZ-CB 3.96Å; F43-I70 HydrophobicContact CZ-CD1 4.45Å; F43-I70 HydrophobicContact CZ-CG1 4.11Å; F43-I74 HydrophobicContact CB-CG2 4.07Å; F43-I74 HydrophobicContact CD2-CD1 4.35Å; F43-I74 HydrophobicContact CD2-CG2 4.01Å; F43-I74 HydrophobicContact CG-CG2 4.48Å; F43-I78 HydrophobicContact CB-CD1 4.24Å; F43-V86 HydrophobicContact CB-CG1 3.85Å; F43-V86 HydrophobicContact CD1-CG1 4Å; F43-V86 HydrophobicContact CG-CG1 4.42Å
44D90.3Very high94.6Very high32 Ų3260.6 Ų60.617%0.17132%0.321CS..THydrogen-bonded Turntrans43.645.8-171.8-53.8-38.3000112.8V46 I78 K80 V86 L87D44-V46 VanDerWaalsContact C-N 3.34Å; D44-V46 PolarHBondContact O-N 3.1Å; D44-I78 HydrophobicContact CB-CB 4.26Å; D44-I78 HydrophobicContact CB-CG2 4.12Å; D44-K80 IonicContact OD1-NZ 3.92Å; D44-K80 PolarHBondContact OD1-NZ 2.89Å; D44-K80 WeakPolarHBondContact OD2-CD 3.42Å; D44-K80 WeakPolarHBondContact OD2-CE 3.14Å; D44-K80 IonicContact OD2-NZ 2.71Å; D44-K80 PolarHBondContact OD2-NZ 2.96Å; D44-V86 WeakPolarHBondContact OD1-CG1 3.5Å; D44-L87 PolarHBondContact OD1-N 3.21Å
45G88.3Confident94.6Very high33 Ų3360.9 Ų60.934%0.3433%0.326SS..THydrogen-bonded Turntrans84.1-10-179.300000116.6F43F43-G45 PolarHBondContact O-N 2.93Å; F43-G45 VanDerWaalsContact O-N 3.16Å
46V92.1Very high94.5Very high26 Ų2662 Ų6216%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-85.7121.7176.1179.20000110.6T42 F43 D44 I74 E77 I78T42-V46 CarbonylContact C-O 3.58Å; T42-V46 WeakPolarHBondContact CA-O 3.36Å; F43-V46 PolarHBondContact N-O 2.85Å; F43-V46 WeakPolarHBondContact O-CB 3.36Å; F43-V46 PolarHBondContact O-N 2.79Å; D44-V46 VanDerWaalsContact C-N 3.34Å; D44-V46 PolarHBondContact O-N 3.1Å; V46-I74 HydrophobicContact CB-CG2 4.19Å; V46-I74 HydrophobicContact CG1-CG1 4.13Å; V46-I74 HydrophobicContact CG1-CG2 3.97Å; V46-E77 HydrophobicContact CG2-CG 4.11Å; V46-I78 HydrophobicContact CB-CG2 4.09Å; V46-I78 HydrophobicContact CG2-CG2 3.46Å; V46-I78 VanDerWaalsContact CG2-CG2 3.46Å
47D95.1Very high94.2Very high107 Ų10756.2 Ų56.257%0.57232%0.321SS*.EExtended strand (participates in β ladder)trans-63.9141.7-179.3-73.9-38.3000113.2H40 T42H40-D47 IonicContact CE1-OD1 3.1Å; H40-D47 IonicContact NE2-OD1 3.86Å; H40-D47 PolarHBondContact NE2-OD1 3.49Å; T42-D47 WeakPolarHBondContact CG2-OD1 3.47Å
48Y96.2Very high94.1Very high39 Ų3962.4 Ų62.415%0.15335%0.346CS..EExtended strand (participates in β ladder)trans-150118.2177.6177.5-113.3000112.5A41 F43 L68 G69 R71 I74A41-Y48 PolarHBondContact N-O 3Å; A41-Y48 PolarHBondContact O-N 2.98Å; F43-Y48 HydrophobicContact CD2-CD1 4.29Å; F43-Y48 HydrophobicContact CD2-CG 4.2Å; F43-Y48 AromaticContact CE2-CD1 3.33Å; F43-Y48 HydrophobicContact CE2-CD1 3.33Å; F43-Y48 HydrophobicContact CE2-CE1 4.04Å; F43-Y48 AromaticContact CE2-CG 3.61Å; F43-Y48 HydrophobicContact CE2-CG 3.61Å; F43-Y48 AromaticContact CZ-CD1 3.9Å; F43-Y48 HydrophobicContact CZ-CD1 3.9Å; F43-Y48 HydrophobicContact CZ-CE1 4.37Å; Y48-L68 HydrophobicContact CD1-CD1 4.45Å; Y48-L68 HydrophobicContact CD1-CD2 4.26Å; Y48-L68 HydrophobicContact CD1-CG 4.35Å; Y48-L68 HydrophobicContact CE1-CD1 3.79Å; Y48-L68 HydrophobicContact CE1-CD2 4.33Å; Y48-L68 HydrophobicContact CE1-CG 3.93Å; Y48-G69 WeakPolarHBondContact CE1-O 3.46Å; Y48-G69 VanDerWaalsContact CZ-O 3.28Å; Y48-G69 PolarHBondContact OH-O 2.91Å; Y48-R71 HydrophobicContact CD2-CG 4.48Å; Y48-R71 HydrophobicContact CE2-CG 3.88Å; Y48-I74 HydrophobicContact CD2-CD1 3.56Å; Y48-I74 HydrophobicContact CE2-CD1 4.47Å; Y48-I74 HydrophobicContact CG-CD1 3.94Å
49D97.3Very high93.8Very high118 Ų11857 Ų5763%0.63133%0.325SS*.EExtended strand (participates in β ladder)trans-89.4125.5166-71.1-49.8000111.1H40H40-D49 IonicContact CE1-OD1 2.69Å; H40-D49 IonicContact CG-OD1 3.97Å; H40-D49 IonicContact ND1-OD1 3.56Å; H40-D49 PolarHBondContact ND1-OD1 3.48Å; H40-D49 IonicContact ND1-OD2 3.81Å
50G96.4Very high93.5Very high15 Ų1565.6 Ų65.616%0.15536%0.363CS..EExtended strand (participates in β ladder)trans-150.4-163-172.400000114.4K38 V39K38-G50 WeakPolarHBondContact CA-O 3.38Å; V39-G50 PolarHBondContact N-O 3.47Å; V39-G50 VanDerWaalsContact N-O 3.16Å; V39-G50 PolarHBondContact O-N 3.19Å
51S96.9Very high93.3Very high21 Ų2165.9 Ų65.915%0.14737%0.369CS..EExtended strand (participates in β ladder)trans-138.3129.2170.9-63.40000109.9R36 V37 L68R36-S51 PolarHBondContact NE-OG 2.92Å; R36-S51 PolarHBondContact NH2-OG 3.47Å; R36-S51 VanDerWaalsContact NH2-OG 3.09Å; V37-S51 CarbonylContact O-C 3.52Å; V37-S51 WeakPolarHBondContact O-CA 3.23Å; S51-L68 WeakPolarHBondContact O-CD1 3.41Å
52I97Very high93.2Very high6 Ų666.7 Ų66.73%0.03138%0.379CS..EExtended strand (participates in β ladder)trans-76.2126.9164.7-55.2170.2000107.2F24 V28 R36 V37 V39 I67 L68F24-I52 HydrophobicContact CB-CD1 4.45Å; F24-I52 HydrophobicContact CB-CG2 3.88Å; F24-I52 HydrophobicContact CD1-CD1 4Å; F24-I52 HydrophobicContact CD1-CG2 3.91Å; F24-I52 HydrophobicContact CD2-CD1 3.58Å; F24-I52 HydrophobicContact CE1-CD1 4.05Å; F24-I52 HydrophobicContact CE2-CD1 3.69Å; F24-I52 HydrophobicContact CG-CD1 3.75Å; F24-I52 HydrophobicContact CG-CG1 4.43Å; F24-I52 HydrophobicContact CG-CG2 3.98Å; F24-I52 HydrophobicContact CZ-CD1 3.92Å; V28-I52 HydrophobicContact CG2-CB 4.44Å; V28-I52 HydrophobicContact CG2-CG2 3.53Å; R36-I52 WeakPolarHBondContact CA-O 3.26Å; V37-I52 PolarHBondContact N-O 3.35Å; V37-I52 PolarHBondContact O-N 2.9Å; V39-I52 HydrophobicContact CG1-CD1 3.6Å; V39-I52 HydrophobicContact CG1-CG1 3.91Å; V39-I52 HydrophobicContact CG2-CD1 4.37Å; V39-I52 HydrophobicContact CG2-CG1 3.98Å; I52-I67 WeakPolarHBondContact CA-O 3.49Å; I52-L68 HydrophobicContact CG1-CB 4.45Å; I52-L68 HydrophobicContact CG1-CD1 4.25Å
53V95.9Very high93Very high30 Ų3065.2 Ų65.218%0.18237%0.372CS..EExtended strand (participates in β ladder)trans-142.6157.8-174.7-690000110.6R36 M55 Y66 I67R36-V53 HydrophobicContact CB-CG1 4.14Å; R36-V53 HydrophobicContact CG-CG1 3.67Å; V53-M55 HydrophobicContact CG2-CG 3.79Å; V53-M55 HydrophobicContact CG2-SD 4.31Å; V53-Y66 WeakPolarHBondContact O-CA 3.32Å; V53-I67 HydrophobicContact CG2-CG1 4.2Å; V53-I67 PolarHBondContact N-O 2.88Å; V53-I67 WeakPolarHBondContact O-CG1 3.46Å; V53-I67 PolarHBondContact O-N 3.3Å
54N94Very high92.9Very high58 Ų5867.9 Ų67.931%0.3139%0.386SS..  trans-98.4128.5158.2177.1-88.6000109G56 V57 I64 C65 Y66N54-G56 PolarHBondContact OD1-N 2.79Å; N54-V57 PolarHBondContact ND2-O 2.81Å; N54-I64 HydrophobicContact CB-CG2 3.82Å; N54-I64 VanDerWaalsContact ND2-CG2 3.28Å; N54-I64 WeakPolarHBondContact ND2-CG2 3.41Å; N54-C65 PolarHBondContact ND2-O 2.84Å; N54-Y66 HydrophobicContact CB-CD1 4.02Å; N54-Y66 HydrophobicContact CB-CE1 4.01Å
55M90.8Very high93.1Very high143 Ų14366.5 Ų66.570%0.70438%0.379SS*.SBendtrans-114.432.2178.3-68.6-65.1-66.100111.8V53 V57 I67V53-M55 HydrophobicContact CG2-CG 3.79Å; V53-M55 HydrophobicContact CG2-SD 4.31Å; M55-V57 VanDerWaalsContact C-N 3.29Å; M55-I67 HydrophobicContact CB-CD1 4.17Å; M55-I67 HydrophobicContact CG-CD1 4.13Å
56G90Very high93.5Very high61 Ų6165.1 Ų65.163%0.62936%0.363SS*.SBendtrans81.73.9-173.800000114.6N54N54-G56 PolarHBondContact OD1-N 2.79Å
57V89.3Confident93.7Very high36 Ų3664.6 Ų64.622%0.21836%0.36CS..  trans-70.3141.7172.6-1700000109.4N54 M55 C65 I67N54-V57 PolarHBondContact ND2-O 2.81Å; M55-V57 VanDerWaalsContact C-N 3.29Å; V57-C65 HydrophobicContact CB-CB 3.95Å; V57-C65 HydrophobicContact CG1-CB 3.7Å; V57-C65 WeakPolarHBondContact O-CB 3.48Å; V57-C65 PolarHBondContact O-N 3.17Å; V57-C65 VanDerWaalsContact O-N 3.14Å; V57-I67 HydrophobicContact CB-CG2 4.48Å; V57-I67 HydrophobicContact CG2-CD1 4.33Å; V57-I67 HydrophobicContact CG2-CG2 4.35Å
58K92.7Very high93.8Very high152 Ų15260.1 Ų60.166%0.66134%0.336SS*.BIsolated β-bridgetrans-124.6146.9176-64.8-169.3174.3-161.70110.5S63K58-S63 VanDerWaalsContact CA-O 3.29Å; K58-S63 WeakPolarHBondContact CA-O 3.44Å
59N90Very high93.8Very high58 Ų5859.6 Ų59.631%0.3134%0.342SS..  trans-71.9170.1168.3-62.3-38.5000109.6D61 G62 S63 I64 C65N59-D61 WeakPolarHBondContact CB-OD1 3.43Å; N59-D61 PolarHBondContact O-N 2.77Å; N59-G62 PolarHBondContact O-N 3.09Å; N59-S63 WeakPolarHBondContact CB-OG 3.4Å; N59-S63 PolarHBondContact N-O 3.47Å; N59-S63 PolarHBondContact ND2-OG 3.11Å; N59-I64 PolarHBondContact ND2-O 3.28Å; N59-C65 VanDerWaalsContact OD1-CB 3.26Å; N59-C65 WeakPolarHBondContact OD1-CB 3.41Å; N59-C65 PolarHBondContact OD1-SG 2.96Å
60E90.4Very high93.7Very high213 Ų21354.2 Ų54.2100%0.99531%0.313SS*.THydrogen-bonded Turntrans-60-31.5-179.6-66.1-174.8165.600113.1G62E60-G62 PolarHBondContact O-N 2.85Å
61D93Very high93.7Very high127 Ų12760 Ų6068%0.67933%0.33SS*.THydrogen-bonded Turntrans-78-0.7175.569.1-3.1000113.8N59 S63N59-D61 WeakPolarHBondContact CB-OD1 3.43Å; N59-D61 PolarHBondContact O-N 2.77Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.44Å; D61-S63 PolarHBondContact OD1-N 3.17Å; D61-S63 PolarHBondContact OD1-OG 3.09Å; D61-S63 PolarHBondContact OD2-OG 3.48Å
62G92.1Very high93.6Very high39 Ų3965.2 Ų65.240%0.40235%0.35SS..SBendtrans83.2-0.9-178.700000115.2N59 E60N59-G62 PolarHBondContact O-N 3.09Å; E60-G62 PolarHBondContact O-N 2.85Å
63S91.1Very high93.5Very high46 Ų4668.5 Ų68.532%0.32237%0.368SS..PPolyproline II helixtrans-67.6164.9173.668.30000112K58 N59 D61 C65K58-S63 VanDerWaalsContact CA-O 3.29Å; K58-S63 WeakPolarHBondContact CA-O 3.44Å; N59-S63 WeakPolarHBondContact CB-OG 3.4Å; N59-S63 PolarHBondContact N-O 3.47Å; N59-S63 PolarHBondContact ND2-OG 3.11Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 WeakPolarHBondContact OD1-CB 3.44Å; D61-S63 PolarHBondContact OD1-N 3.17Å; D61-S63 PolarHBondContact OD1-OG 3.09Å; D61-S63 PolarHBondContact OD2-OG 3.48Å; S63-C65 PolarHBondContact O-N 2.82Å
64I92.1Very high93.5Very high66 Ų6667.6 Ų67.634%0.33836%0.362SS..BIsolated β-bridgetrans-67.5122.5-179.3-65.6178.9000108.9N54 N59 Y66N54-I64 HydrophobicContact CB-CG2 3.82Å; N54-I64 VanDerWaalsContact ND2-CG2 3.28Å; N54-I64 WeakPolarHBondContact ND2-CG2 3.41Å; N59-I64 PolarHBondContact ND2-O 3.28Å; I64-Y66 HydrophobicContact CB-CE2 4.35Å; I64-Y66 HydrophobicContact CG2-CD1 4.5Å; I64-Y66 HydrophobicContact CG2-CD2 4.21Å; I64-Y66 HydrophobicContact CG2-CE1 3.99Å; I64-Y66 HydrophobicContact CG2-CE2 3.68Å
65C93.9Very high93.6Very high3 Ų365.4 Ų65.42%0.0235%0.349CS..PPolyproline II helixtrans-94.5124.5173.2-1750000109.9N54 V57 N59 S63N54-C65 PolarHBondContact ND2-O 2.84Å; V57-C65 HydrophobicContact CB-CB 3.95Å; V57-C65 HydrophobicContact CG1-CB 3.7Å; V57-C65 WeakPolarHBondContact O-CB 3.48Å; V57-C65 PolarHBondContact O-N 3.17Å; V57-C65 VanDerWaalsContact O-N 3.14Å; N59-C65 VanDerWaalsContact OD1-CB 3.26Å; N59-C65 WeakPolarHBondContact OD1-CB 3.41Å; N59-C65 PolarHBondContact OD1-SG 2.96Å; S63-C65 PolarHBondContact O-N 2.82Å
66Y96.3Very high93.9Very high4 Ų465.9 Ų65.92%0.01635%0.347CS..EExtended strand (participates in β ladder)trans-96.1141.1173.3-65.8-81.4000110.1F24 D27 V28 R29 V53 N54 I64F24-Y66 PolarHBondContact N-O 2.84Å; D27-Y66 WeakPolarHBondContact OD1-CE2 3.29Å; V28-Y66 HydrophobicContact CB-CD1 3.69Å; V28-Y66 HydrophobicContact CB-CD2 3.98Å; V28-Y66 HydrophobicContact CB-CE1 3.66Å; V28-Y66 HydrophobicContact CB-CE2 3.94Å; V28-Y66 HydrophobicContact CB-CG 3.85Å; V28-Y66 HydrophobicContact CG1-CD1 4.45Å; V28-Y66 HydrophobicContact CG1-CE1 4.39Å; V28-Y66 HydrophobicContact CG2-CD1 3.51Å; V28-Y66 HydrophobicContact CG2-CD2 3.68Å; V28-Y66 HydrophobicContact CG2-CE1 4.05Å; V28-Y66 HydrophobicContact CG2-CE2 4.18Å; V28-Y66 HydrophobicContact CG2-CG 3.31Å; V28-Y66 VanDerWaalsContact N-CE2 3.35Å; R29-Y66 WeakPolarHBondContact CD-OH 3.48Å; R29-Y66 WeakPolarHBondContact CG-OH 3.48Å; V53-Y66 WeakPolarHBondContact O-CA 3.32Å; N54-Y66 HydrophobicContact CB-CD1 4.02Å; N54-Y66 HydrophobicContact CB-CE1 4.01Å; I64-Y66 HydrophobicContact CB-CE2 4.35Å; I64-Y66 HydrophobicContact CG2-CD1 4.5Å; I64-Y66 HydrophobicContact CG2-CD2 4.21Å; I64-Y66 HydrophobicContact CG2-CE1 3.99Å; I64-Y66 HydrophobicContact CG2-CE2 3.68Å
67I96.5Very high94.1Very high15 Ų1569.8 Ų69.88%0.07735%0.349CS..EExtended strand (participates in β ladder)trans-131.9153.4-174.666.6168.7000110.7Y21 V22 I52 V53 M55 V57Y21-I67 HydrophobicContact CD1-CD1 4.14Å; Y21-I67 HydrophobicContact CD2-CB 3.62Å; Y21-I67 HydrophobicContact CD2-CD1 4.08Å; Y21-I67 HydrophobicContact CD2-CG1 4.45Å; Y21-I67 HydrophobicContact CD2-CG2 3.35Å; Y21-I67 HydrophobicContact CE2-CB 4.31Å; Y21-I67 HydrophobicContact CE2-CG2 3.54Å; Y21-I67 HydrophobicContact CG-CB 4.06Å; Y21-I67 HydrophobicContact CG-CD1 3.81Å; Y21-I67 HydrophobicContact CG-CG2 4.19Å; V22-I67 VanDerWaalsContact O-CA 3.27Å; V22-I67 WeakPolarHBondContact O-CA 3.27Å; I52-I67 WeakPolarHBondContact CA-O 3.49Å; V53-I67 HydrophobicContact CG2-CG1 4.2Å; V53-I67 PolarHBondContact N-O 2.88Å; V53-I67 WeakPolarHBondContact O-CG1 3.46Å; V53-I67 PolarHBondContact O-N 3.3Å; M55-I67 HydrophobicContact CB-CD1 4.17Å; M55-I67 HydrophobicContact CG-CD1 4.13Å; V57-I67 HydrophobicContact CB-CG2 4.48Å; V57-I67 HydrophobicContact CG2-CD1 4.33Å; V57-I67 HydrophobicContact CG2-CG2 4.35Å
68L97Very high94.4Very high13 Ų1369.5 Ų69.57%0.06835%0.346CS..EExtended strand (participates in β ladder)trans-121.2126.2168.7-176.463.4000108.3Y21 V22 V39 A41 F43 Y48 S51 I52Y21-L68 CarbonylContact C-O 3.58Å; Y21-L68 VanDerWaalsContact CA-O 3.24Å; Y21-L68 WeakPolarHBondContact CA-O 3.29Å; Y21-L68 WeakPolarHBondContact CB-O 3.44Å; V22-L68 HydrophobicContact CG2-CB 4Å; V22-L68 PolarHBondContact N-O 2.59Å; V22-L68 PolarHBondContact O-N 2.68Å; V39-L68 HydrophobicContact CG2-CD1 3.83Å; V39-L68 HydrophobicContact CG2-CD2 4.13Å; A41-L68 HydrophobicContact CB-CD2 3.73Å; F43-L68 HydrophobicContact CE1-CD2 4.26Å; F43-L68 HydrophobicContact CZ-CD2 3.77Å; F43-L68 HydrophobicContact CZ-CG 4.08Å; Y48-L68 HydrophobicContact CD1-CD1 4.45Å; Y48-L68 HydrophobicContact CD1-CD2 4.26Å; Y48-L68 HydrophobicContact CD1-CG 4.35Å; Y48-L68 HydrophobicContact CE1-CD1 3.79Å; Y48-L68 HydrophobicContact CE1-CD2 4.33Å; Y48-L68 HydrophobicContact CE1-CG 3.93Å; S51-L68 WeakPolarHBondContact O-CD1 3.41Å; I52-L68 HydrophobicContact CG1-CB 4.45Å; I52-L68 HydrophobicContact CG1-CD1 4.25Å
69G96.1Very high94.5Very high27 Ų2765.3 Ų65.328%0.27835%0.346SS..EExtended strand (participates in β ladder)trans-64.8140.4177.100000111.1A20 Y48A20-G69 WeakPolarHBondContact O-CA 3.45Å; Y48-G69 WeakPolarHBondContact CE1-O 3.46Å; Y48-G69 VanDerWaalsContact CZ-O 3.28Å; Y48-G69 PolarHBondContact OH-O 2.91Å
70I96.5Very high94.7Very high5 Ų564.4 Ų64.43%0.02634%0.339CS..  trans-117.7122.3171.1-171.6175.2000108.9I10 A20 F43 I74 R75 I78 V86I10-I70 HydrophobicContact CD1-CD1 4.25Å; I10-I70 HydrophobicContact CG2-CG2 4.03Å; A20-I70 HydrophobicContact CB-CG2 3.75Å; A20-I70 PolarHBondContact O-N 2.76Å; F43-I70 HydrophobicContact CB-CD1 4.1Å; F43-I70 HydrophobicContact CD1-CD1 3.99Å; F43-I70 HydrophobicContact CD1-CG1 4.48Å; F43-I70 HydrophobicContact CD2-CB 4.5Å; F43-I70 HydrophobicContact CD2-CD1 3.94Å; F43-I70 HydrophobicContact CD2-CG1 3.77Å; F43-I70 HydrophobicContact CE1-CB 4.46Å; F43-I70 HydrophobicContact CE1-CD1 4.34Å; F43-I70 HydrophobicContact CE1-CG1 4.49Å; F43-I70 HydrophobicContact CE2-CB 3.98Å; F43-I70 HydrophobicContact CE2-CD1 4.25Å; F43-I70 HydrophobicContact CE2-CG1 3.73Å; F43-I70 HydrophobicContact CG-CD1 3.75Å; F43-I70 HydrophobicContact CG-CG1 4.12Å; F43-I70 HydrophobicContact CZ-CB 3.96Å; F43-I70 HydrophobicContact CZ-CD1 4.45Å; F43-I70 HydrophobicContact CZ-CG1 4.11Å; I70-I74 HydrophobicContact CD1-CG2 4.39Å; I70-I74 HydrophobicContact CG1-CG2 4.24Å; I70-R75 HydrophobicContact CD1-CG 3.78Å; I70-R75 HydrophobicContact CG1-CG 3.86Å; I70-R75 HydrophobicContact CG2-CG 4.18Å; I70-I78 HydrophobicContact CD1-CD1 4.11Å; I70-V86 HydrophobicContact CD1-CG2 4Å
71R95.2Very high94.9Very high137 Ų13758.9 Ų58.952%0.51732%0.316SS..  trans-73.4154.2-173.3-64.4168.252.2161.83.2111.4Y48 D73 I74 R75Y48-R71 HydrophobicContact CD2-CG 4.48Å; Y48-R71 HydrophobicContact CE2-CG 3.88Å; R71-D73 VanDerWaalsContact C-N 3.33Å; R71-D73 WeakPolarHBondContact CB-OD1 3.29Å; R71-D73 IonicContact CZ-OD1 3.47Å; R71-D73 IonicContact CZ-OD2 2.66Å; R71-D73 VanDerWaalsContact CZ-OD2 3.27Å; R71-D73 IonicContact NE-OD1 3.88Å; R71-D73 PolarHBondContact NE-OD1 3.44Å; R71-D73 IonicContact NE-OD2 3.93Å; R71-D73 PolarHBondContact NE-OD2 2.93Å; R71-D73 IonicContact NH2-OD1 3.51Å; R71-D73 IonicContact NH2-OD2 2.93Å; R71-D73 PolarHBondContact NH2-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.2Å; R71-I74 HydrophobicContact CB-CD1 4.24Å; R71-I74 HydrophobicContact CB-CG1 4.31Å; R71-I74 PolarHBondContact O-N 2.9Å; R71-R75 WeakPolarHBondContact O-CG 3.34Å; R71-R75 PolarHBondContact O-N 2.9Å
72K94.8Very high95Very high131 Ų13156.4 Ų56.457%0.5730%0.302SS*.Hα-helixtrans-65-33.7-179.2-173177.6-176.1176.40113.1K76K72-K76 WeakPolarHBondContact O-CG 3.2Å; K72-K76 PolarHBondContact O-N 2.98Å; K72-K76 VanDerWaalsContact O-N 3.13Å
73D95.7Very high95.1Very high75 Ų7556.1 Ų56.140%0.40130%0.3SS..Hα-helixtrans-68.5-47.4176.349.4-9.8000111.7R71 R75 K76 E77R71-D73 VanDerWaalsContact C-N 3.33Å; R71-D73 WeakPolarHBondContact CB-OD1 3.29Å; R71-D73 IonicContact CZ-OD1 3.47Å; R71-D73 IonicContact CZ-OD2 2.66Å; R71-D73 VanDerWaalsContact CZ-OD2 3.27Å; R71-D73 IonicContact NE-OD1 3.88Å; R71-D73 PolarHBondContact NE-OD1 3.44Å; R71-D73 IonicContact NE-OD2 3.93Å; R71-D73 PolarHBondContact NE-OD2 2.93Å; R71-D73 IonicContact NH2-OD1 3.51Å; R71-D73 IonicContact NH2-OD2 2.93Å; R71-D73 PolarHBondContact NH2-OD2 3.35Å; R71-D73 PolarHBondContact O-N 3.2Å; D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 PolarHBondContact O-N 2.91Å; D73-K76 WeakPolarHBondContact O-CB 3.32Å; D73-K76 PolarHBondContact O-N 3.16Å; D73-K76 VanDerWaalsContact O-N 3.1Å; D73-E77 PolarHBondContact O-N 2.84Å
74I96.3Very high95.4Very high10 Ų1057.5 Ų57.55%0.05130%0.303CS..Hα-helixtrans-56.5-47.8174.1-63.1175.7000110.8F43 V46 Y48 I70 R71 K76 E77 I78F43-I74 HydrophobicContact CB-CG2 4.07Å; F43-I74 HydrophobicContact CD2-CD1 4.35Å; F43-I74 HydrophobicContact CD2-CG2 4.01Å; F43-I74 HydrophobicContact CG-CG2 4.48Å; V46-I74 HydrophobicContact CB-CG2 4.19Å; V46-I74 HydrophobicContact CG1-CG1 4.13Å; V46-I74 HydrophobicContact CG1-CG2 3.97Å; Y48-I74 HydrophobicContact CD2-CD1 3.56Å; Y48-I74 HydrophobicContact CE2-CD1 4.47Å; Y48-I74 HydrophobicContact CG-CD1 3.94Å; I70-I74 HydrophobicContact CD1-CG2 4.39Å; I70-I74 HydrophobicContact CG1-CG2 4.24Å; R71-I74 HydrophobicContact CB-CD1 4.24Å; R71-I74 HydrophobicContact CB-CG1 4.31Å; R71-I74 PolarHBondContact O-N 2.9Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 2.87Å; I74-E77 WeakPolarHBondContact O-CB 3.49Å; I74-E77 PolarHBondContact O-N 3.17Å; I74-I78 HydrophobicContact CG2-CD1 4.35Å; I74-I78 HydrophobicContact CG2-CG2 4.5Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 2.89Å
75R96.3Very high95.5Very high13 Ų1357.4 Ų57.45%0.04931%0.306CS..Hα-helixtrans-55.5-42.1176.1-79.6-164.7-62.8141.70.1113.3I10 G18 I70 R71 D73 G79 K80 D81I10-R75 HydrophobicContact CD1-CG 4.23Å; G18-R75 PolarHBondContact O-NH2 2.9Å; G18-R75 VanDerWaalsContact O-NH2 3.09Å; I70-R75 HydrophobicContact CD1-CG 3.78Å; I70-R75 HydrophobicContact CG1-CG 3.86Å; I70-R75 HydrophobicContact CG2-CG 4.18Å; R71-R75 WeakPolarHBondContact O-CG 3.34Å; R71-R75 PolarHBondContact O-N 2.9Å; D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 PolarHBondContact O-N 2.91Å; R75-G79 PolarHBondContact O-N 3.39Å; R75-G79 VanDerWaalsContact O-N 3.07Å; R75-K80 CarbonylContact C-O 3.55Å; R75-K80 VanDerWaalsContact CB-O 3.25Å; R75-K80 WeakPolarHBondContact CB-O 3.27Å; R75-K80 PolarHBondContact O-N 3.16Å; R75-K80 VanDerWaalsContact O-O 3.06Å; R75-D81 IonicContact CZ-OD1 3.87Å; R75-D81 IonicContact NH1-OD1 2.79Å; R75-D81 PolarHBondContact NH1-OD1 2.8Å
76K96Very high95.5Very high152 Ų15257.7 Ų57.766%0.66131%0.307SS*.Hα-helixtrans-67-38.7175.8-75.5176.6176-168.40112.3K72 D73 I74 G79K72-K76 WeakPolarHBondContact O-CG 3.2Å; K72-K76 PolarHBondContact O-N 2.98Å; K72-K76 VanDerWaalsContact O-N 3.13Å; D73-K76 WeakPolarHBondContact O-CB 3.32Å; D73-K76 PolarHBondContact O-N 3.16Å; D73-K76 VanDerWaalsContact O-N 3.1Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 2.87Å; K76-G79 PolarHBondContact O-N 2.91Å
77E95.8Very high95.2Very high144 Ų14459.5 Ų59.567%0.67332%0.317SS*.Hα-helixtrans-65.3-45.9-179.5-174.3171.5170.300111.6V46 D73 I74 G79V46-E77 HydrophobicContact CG2-CG 4.11Å; D73-E77 PolarHBondContact O-N 2.84Å; I74-E77 WeakPolarHBondContact O-CB 3.49Å; I74-E77 PolarHBondContact O-N 3.17Å; E77-G79 PolarHBondContact O-N 2.76Å
78I94.1Very high94.8Very high30 Ų3061 Ų6115%0.15432%0.323CS..THydrogen-bonded Turntrans-82.2-1177.372-172000113.2F43 D44 V46 I70 I74 K80 V86F43-I78 HydrophobicContact CB-CD1 4.24Å; D44-I78 HydrophobicContact CB-CB 4.26Å; D44-I78 HydrophobicContact CB-CG2 4.12Å; V46-I78 HydrophobicContact CB-CG2 4.09Å; V46-I78 HydrophobicContact CG2-CG2 3.46Å; V46-I78 VanDerWaalsContact CG2-CG2 3.46Å; I70-I78 HydrophobicContact CD1-CD1 4.11Å; I74-I78 HydrophobicContact CG2-CD1 4.35Å; I74-I78 HydrophobicContact CG2-CG2 4.5Å; I74-I78 WeakPolarHBondContact O-CG1 3.48Å; I74-I78 PolarHBondContact O-N 2.89Å; I78-K80 VanDerWaalsContact C-N 3.34Å; I78-K80 HydrophobicContact CD1-CB 4.22Å; I78-K80 HydrophobicContact CD1-CD 4.33Å; I78-K80 HydrophobicContact CD1-CG 4.44Å; I78-K80 HydrophobicContact CG1-CB 3.95Å; I78-K80 HydrophobicContact CG1-CD 4.42Å; I78-K80 HydrophobicContact CG1-CG 4.08Å; I78-K80 PolarHBondContact O-N 2.78Å; I78-V86 HydrophobicContact CD1-CG2 4.36Å
79G95.1Very high94.4Very high64 Ų6463.2 Ų63.266%0.6633%0.333SS*.THydrogen-bonded Turntrans66.227.7178.500000115.2R75 K76 E77R75-G79 PolarHBondContact O-N 3.39Å; R75-G79 VanDerWaalsContact O-N 3.07Å; K76-G79 PolarHBondContact O-N 2.91Å; E77-G79 PolarHBondContact O-N 2.76Å
80K94.8Very high94.3Very high39 Ų3963.7 Ų63.717%0.1733%0.329CS..  trans-117146-178.9-64.2-173-180172.60112.5I10 D44 R75 I78 D84 V85 V86I10-K80 HydrophobicContact CD1-CB 3.77Å; D44-K80 IonicContact OD1-NZ 3.92Å; D44-K80 PolarHBondContact OD1-NZ 2.89Å; D44-K80 WeakPolarHBondContact OD2-CD 3.42Å; D44-K80 WeakPolarHBondContact OD2-CE 3.14Å; D44-K80 IonicContact OD2-NZ 2.71Å; D44-K80 PolarHBondContact OD2-NZ 2.96Å; R75-K80 CarbonylContact C-O 3.55Å; R75-K80 VanDerWaalsContact CB-O 3.25Å; R75-K80 WeakPolarHBondContact CB-O 3.27Å; R75-K80 PolarHBondContact O-N 3.16Å; R75-K80 VanDerWaalsContact O-O 3.06Å; I78-K80 VanDerWaalsContact C-N 3.34Å; I78-K80 HydrophobicContact CD1-CB 4.22Å; I78-K80 HydrophobicContact CD1-CD 4.33Å; I78-K80 HydrophobicContact CD1-CG 4.44Å; I78-K80 HydrophobicContact CG1-CB 3.95Å; I78-K80 HydrophobicContact CG1-CD 4.42Å; I78-K80 HydrophobicContact CG1-CG 4.08Å; I78-K80 PolarHBondContact O-N 2.78Å; K80-D84 HydrophobicContact CB-CB 3.97Å; K80-D84 HydrophobicContact CD-CB 4.4Å; K80-D84 HydrophobicContact CG-CB 4.22Å; K80-V85 VanDerWaalsContact CD-O 3.29Å; K80-V85 WeakPolarHBondContact CD-O 3.44Å; K80-V85 VanDerWaalsContact CE-O 3.24Å; K80-V85 WeakPolarHBondContact CE-O 3.37Å; K80-V85 PolarHBondContact NZ-O 2.81Å; K80-V86 HydrophobicContact CD-CG2 4.38Å
81D94.9Very high94.2Very high96 Ų9668 Ų6851%0.51335%0.348SS..  trans-127.4-174.1176.3-148.3-27.4000112R75 G83 D84R75-D81 IonicContact CZ-OD1 3.87Å; R75-D81 IonicContact NH1-OD1 2.79Å; R75-D81 PolarHBondContact NH1-OD1 2.8Å; D81-G83 PolarHBondContact O-N 2.65Å; D81-D84 PolarHBondContact N-OD2 2.96Å; D81-D84 WeakPolarHBondContact O-CB 3.5Å; D81-D84 PolarHBondContact O-N 3.4Å; D81-D84 VanDerWaalsContact O-N 3.12Å
82I94.8Very high94.3Very high75 Ų7561.8 Ų61.839%0.38533%0.327SS..THydrogen-bonded Turntrans-55125.9175.7-55.9-53.7000109.4I10 A12 A20I10-I82 HydrophobicContact CG2-CD1 3.75Å; A12-I82 HydrophobicContact CB-CD1 4.02Å; A12-I82 HydrophobicContact CB-CG1 4.17Å; A12-I82 HydrophobicContact CB-CG2 4.07Å; A20-I82 HydrophobicContact CB-CD1 3.56Å
83G94.8Very high94.5Very high34 Ų3459 Ų5935%0.35132%0.32SS..THydrogen-bonded Turntrans107-29.2-178.400000113.5K9 I10 D81K9-G83 VanDerWaalsContact CE-CA 3.49Å; K9-G83 VanDerWaalsContact CE-O 3.26Å; K9-G83 WeakPolarHBondContact CE-O 3.33Å; I10-G83 PolarHBondContact O-N 3.43Å; D81-G83 PolarHBondContact O-N 2.65Å
84D95.9Very high94.6Very high74 Ų7455.5 Ų55.540%0.39630%0.302SS..PPolyproline II helixtrans-75.1159.6179.2-61-36.3000111.2K9 I10 K80 D81K9-D84 CarbonylContact C-O 3.57Å; K9-D84 WeakPolarHBondContact CA-O 3.31Å; I10-D84 PolarHBondContact N-O 2.69Å; K80-D84 HydrophobicContact CB-CB 3.97Å; K80-D84 HydrophobicContact CD-CB 4.4Å; K80-D84 HydrophobicContact CG-CB 4.22Å; D81-D84 PolarHBondContact N-OD2 2.96Å; D81-D84 WeakPolarHBondContact O-CB 3.5Å; D81-D84 PolarHBondContact O-N 3.4Å; D81-D84 VanDerWaalsContact O-N 3.12Å
85V94.5Very high94.7Very high64 Ų6459.6 Ų59.639%0.38832%0.319SS..EExtended strand (participates in β ladder)trans-102.2126177.9-177.40000108.8D7 K80 L87D7-V85 HydrophobicContact CB-CG1 3.97Å; K80-V85 VanDerWaalsContact CD-O 3.29Å; K80-V85 WeakPolarHBondContact CD-O 3.44Å; K80-V85 VanDerWaalsContact CE-O 3.24Å; K80-V85 WeakPolarHBondContact CE-O 3.37Å; K80-V85 PolarHBondContact NZ-O 2.81Å; V85-L87 HydrophobicContact CG1-CD2 3.82Å
86V94.5Very high94.8Very high9 Ų963.3 Ų63.36%0.05533%0.334CS..EExtended strand (participates in β ladder)trans-82.1125.9165.3-172.20000107.3D7 S8 I10 V22 F43 D44 I70 I78 K80D7-V86 WeakPolarHBondContact CA-O 3.24Å; S8-V86 PolarHBondContact N-O 2.58Å; S8-V86 PolarHBondContact O-N 3.4Å; I10-V86 HydrophobicContact CD1-CG2 3.68Å; I10-V86 HydrophobicContact CG1-CG2 3.64Å; V22-V86 HydrophobicContact CG1-CG2 4.3Å; F43-V86 HydrophobicContact CB-CG1 3.85Å; F43-V86 HydrophobicContact CD1-CG1 4Å; F43-V86 HydrophobicContact CG-CG1 4.42Å; D44-V86 WeakPolarHBondContact OD1-CG1 3.5Å; I70-V86 HydrophobicContact CD1-CG2 4Å; I78-V86 HydrophobicContact CD1-CG2 4.36Å; K80-V86 HydrophobicContact CD-CG2 4.38Å
87L89.2Confident94.9Very high43 Ų4357.4 Ų57.423%0.22531%0.308CS..PPolyproline II helixtrans-96148.1-175.1-62.2176.2000109.4D7 D44 V85 M89 D138D7-L87 HydrophobicContact CB-CD2 4.18Å; D7-L87 WeakPolarHBondContact OD1-CA 3.27Å; D44-L87 PolarHBondContact OD1-N 3.21Å; V85-L87 HydrophobicContact CG1-CD2 3.82Å; L87-M89 PolarHBondContact O-N 3.04Å; L87-D138 HydrophobicContact CD1-CB 3.88Å
88Y89.1Confident95Very high47 Ų4753 Ų5318%0.18429%0.289CS..PPolyproline II helixtrans-68.4121.8162.3165.2-109.1000108.9K5 D7 N90K5-Y88 HydrophobicContact CB-CD1 4.15Å; K5-Y88 HydrophobicContact CB-CD2 3.64Å; K5-Y88 HydrophobicContact CB-CE1 4.3Å; K5-Y88 HydrophobicContact CB-CE2 3.84Å; K5-Y88 HydrophobicContact CB-CG 3.83Å; K5-Y88 HydrophobicContact CD-CD2 4.2Å; K5-Y88 HydrophobicContact CD-CE1 3.99Å; K5-Y88 HydrophobicContact CD-CE2 3.46Å; K5-Y88 VanDerWaalsContact CD-CE2 3.46Å; K5-Y88 WeakPolarHBondContact CD-OH 3.19Å; K5-Y88 VanDerWaalsContact CE-OH 3.26Å; K5-Y88 WeakPolarHBondContact CE-OH 3.39Å; K5-Y88 HydrophobicContact CG-CD2 3.7Å; K5-Y88 HydrophobicContact CG-CE1 4.44Å; K5-Y88 HydrophobicContact CG-CE2 3.41Å; K5-Y88 VanDerWaalsContact CG-CE2 3.41Å; K5-Y88 HydrophobicContact CG-CG 4.35Å; K5-Y88 PolarHBondContact NZ-OH 3.23Å; D7-Y88 PolarHBondContact OD1-N 2.93Å; Y88-N90 HydrophobicContact CE1-CB 4.25Å; Y88-N90 VanDerWaalsContact CE1-OD1 3.27Å; Y88-N90 WeakPolarHBondContact CE1-OD1 3.01Å; Y88-N90 PolarHBondContact O-N 3.37Å; Y88-N90 VanDerWaalsContact O-N 3.17Å; Y88-N90 PolarHBondContact O-ND2 2.98Å
89M89.2Confident95.1Very high58 Ų5853.5 Ų53.529%0.28630%0.298SS..  trans-78.1104.7179.7-162.6160.374.300109.7L87 T136L87-M89 PolarHBondContact O-N 3.04Å; M89-T136 HydrophobicContact CE-CG2 4.04Å; M89-T136 HydrophobicContact CG-CG2 4.36Å
90N93.3Very high95.2Very high37 Ų3759.5 Ų59.520%0.19831%0.308CS..EExtended strand (participates in β ladder)trans-69.8148.2-178.9-67.7-90.5000109.9Y88 T136 F137 V139Y88-N90 HydrophobicContact CE1-CB 4.25Å; Y88-N90 VanDerWaalsContact CE1-OD1 3.27Å; Y88-N90 WeakPolarHBondContact CE1-OD1 3.01Å; Y88-N90 PolarHBondContact O-N 3.37Å; Y88-N90 VanDerWaalsContact O-N 3.17Å; Y88-N90 PolarHBondContact O-ND2 2.98Å; N90-T136 CarbonylContact O-C 3.58Å; N90-T136 WeakPolarHBondContact O-CA 3.43Å; N90-F137 WeakPolarHBondContact CA-O 3.43Å; N90-F137 HydrophobicContact CB-CD2 4.18Å; N90-F137 HydrophobicContact CB-CE1 4.32Å; N90-F137 HydrophobicContact CB-CE2 3.94Å; N90-F137 HydrophobicContact CB-CG 4.49Å; N90-F137 HydrophobicContact CB-CZ 4.01Å; N90-F137 VanDerWaalsContact CB-O 3.29Å; N90-F137 WeakPolarHBondContact CB-O 3.41Å; N90-F137 PolarHBondContact N-O 2.82Å; N90-F137 PolarHBondContact O-N 2.88Å; N90-V139 HydrophobicContact CB-CG2 4.2Å
91K94.8Very high95.3Very high95 Ų9564.2 Ų64.241%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-114.2150.2172.7-72.4-176.7-179.2-166.20109.3G108 E109 V135 T136K91-G108 WeakPolarHBondContact O-CA 3.12Å; K91-E109 HydrophobicContact CB-CG 3.95Å; K91-E109 WeakPolarHBondContact CB-OE1 3.45Å; K91-E109 PolarHBondContact O-N 2.93Å; K91-V135 WeakPolarHBondContact CA-O 3.38Å; K91-T136 HydrophobicContact CG-CG2 3.78Å
92G97Very high95.4Very high8 Ų860 Ų608%0.08231%0.308CS..EExtended strand (participates in β ladder)trans-168.9-177.8176.700000112.9T107 V135G92-T107 CarbonylContact C-O 3.52Å; G92-T107 WeakPolarHBondContact CA-O 3.32Å; G92-V135 PolarHBondContact N-O 3.27Å; G92-V135 PolarHBondContact O-N 3.09Å
93T98.2Very high95.5Very high71 Ų7159.6 Ų59.644%0.43630%0.303SS..EExtended strand (participates in β ladder)trans-123.4133.8178.9-55.10000109.2K95 I106 T107 G132 Q133T93-K95 PolarHBondContact O-N 2.84Å; T93-I106 CarbonylContact O-C 3.58Å; T93-I106 WeakPolarHBondContact O-CA 3.16Å; T93-T107 PolarHBondContact N-O 3.06Å; T93-T107 PolarHBondContact O-N 2.81Å; T93-G132 WeakPolarHBondContact CG2-O 3.5Å; T93-Q133 WeakPolarHBondContact CA-O 2.93Å
94V98.5Very high95.6Very high2 Ų258 Ų581%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-64.3112177.1177.70000108.5F97 I106 L129 D130 G132 Q133 V135V94-F97 HydrophobicContact CG1-CB 4.12Å; V94-I106 HydrophobicContact CG2-CG1 4.23Å; V94-L129 HydrophobicContact CG1-CB 3.93Å; V94-L129 HydrophobicContact CG2-CB 3.84Å; V94-L129 HydrophobicContact CG2-CD1 3.92Å; V94-L129 HydrophobicContact CG2-CD2 4.4Å; V94-L129 HydrophobicContact CG2-CG 4.25Å; V94-D130 VanDerWaalsContact CB-O 3.23Å; V94-D130 WeakPolarHBondContact CB-O 3.24Å; V94-D130 WeakPolarHBondContact CG1-O 3.36Å; V94-G132 PolarHBondContact O-N 2.77Å; V94-Q133 HydrophobicContact CB-CB 4.36Å; V94-Q133 HydrophobicContact CG2-CB 4.04Å; V94-Q133 WeakPolarHBondContact CG2-O 3.48Å; V94-Q133 PolarHBondContact N-O 2.86Å; V94-V135 HydrophobicContact CG2-CG1 3.82Å; V94-V135 HydrophobicContact CG2-CG2 4.21Å
95K98.3Very high95.7Very high96 Ų9657.5 Ų57.542%0.41728%0.281SS..EExtended strand (participates in β ladder)trans-72.2-41.4179.4-173.6179.8-174.9157.90111.2T93 F105 D113 E131T93-K95 PolarHBondContact O-N 2.84Å; K95-F105 HydrophobicContact CB-CB 4.47Å; K95-F105 WeakPolarHBondContact CB-O 3.29Å; K95-F105 PolarHBondContact N-O 2.93Å; K95-D113 IonicContact NZ-OD1 3.38Å; K95-D113 PolarHBondContact NZ-OD1 2.98Å; K95-D113 IonicContact NZ-OD2 2.63Å; K95-D113 PolarHBondContact NZ-OD2 2.66Å; K95-E131 WeakPolarHBondContact O-CG 3.19Å
96W98.3Very high95.9Very high92 Ų9254.4 Ų54.435%0.34826%0.263SS..EExtended strand (participates in β ladder)trans-169154.7170.263.2-88.7000108.9N98 F103 G104 F105W96-N98 HydrophobicContact CE3-CB 4.49Å; W96-N98 HydrophobicContact CZ3-CB 4Å; W96-F103 AromaticContact CH2-CD2 3.77Å; W96-F103 HydrophobicContact CH2-CD2 3.77Å; W96-F103 AromaticContact CH2-CE2 3.63Å; W96-F103 HydrophobicContact CH2-CE2 3.63Å; W96-F103 HydrophobicContact CZ3-CD2 4.21Å; W96-F103 HydrophobicContact CZ3-CE2 4.25Å; W96-F103 WeakPolarHBondContact CZ3-O 2.93Å; W96-G104 CarbonylContact O-C 3.57Å; W96-G104 WeakPolarHBondContact O-CA 3.43Å; W96-F105 AromaticContact CE2-CD2 3.67Å; W96-F105 HydrophobicContact CH2-CD2 4.35Å; W96-F105 AromaticContact CZ2-CD2 3.43Å; W96-F105 HydrophobicContact CZ2-CD2 3.43Å; W96-F105 VanDerWaalsContact CZ2-CD2 3.43Å; W96-F105 AromaticContact CZ2-CE2 3.8Å; W96-F105 HydrophobicContact CZ2-CE2 3.8Å; W96-F105 PolarHBondContact N-O 3.39Å; W96-F105 AromaticContact NE1-CD2 3.67Å; W96-F105 PolarHBondContact O-N 3.43Å
97F98.4Very high96.1Very high27 Ų2756 Ų5612%0.11827%0.273CS..EExtended strand (participates in β ladder)trans-145.1131.4172.4-166.6-92.2000110.4V94 A99 F118 I121 L129V94-F97 HydrophobicContact CG1-CB 4.12Å; F97-A99 HydrophobicContact CD1-CB 4.5Å; F97-F118 HydrophobicContact CZ-CB 4.06Å; F97-I121 HydrophobicContact CE2-CD1 4.16Å; F97-I121 HydrophobicContact CZ-CD1 3.87Å; F97-L129 HydrophobicContact CB-CB 3.94Å; F97-L129 WeakPolarHBondContact CB-O 3.45Å; F97-L129 HydrophobicContact CD1-CB 4.38Å; F97-L129 HydrophobicContact CD2-CB 4.06Å; F97-L129 HydrophobicContact CD2-CD1 3.92Å; F97-L129 HydrophobicContact CD2-CG 4.2Å; F97-L129 HydrophobicContact CE2-CD1 4.19Å; F97-L129 HydrophobicContact CE2-CG 4.44Å; F97-L129 HydrophobicContact CG-CB 3.88Å; F97-L129 HydrophobicContact CG-CG 4.47Å
98N98.1Very high96.4Very high51 Ų5154.4 Ų54.427%0.27327%0.266SS..EExtended strand (participates in β ladder)trans-97.6101.8173.4-174.3-47.5000108.8W96 E100 K101 G102 F103W96-N98 HydrophobicContact CE3-CB 4.49Å; W96-N98 HydrophobicContact CZ3-CB 4Å; N98-E100 VanDerWaalsContact C-N 3.31Å; N98-E100 PolarHBondContact O-N 3.38Å; N98-E100 WeakPolarHBondContact OD1-CB 3.44Å; N98-E100 PolarHBondContact OD1-N 2.72Å; N98-E100 VanDerWaalsContact OD1-N 3.11Å; N98-K101 HydrophobicContact CB-CB 4.22Å; N98-K101 PolarHBondContact O-N 3.03Å; N98-K101 PolarHBondContact OD1-N 3.36Å; N98-G102 WeakPolarHBondContact O-CA 3.25Å; N98-G102 PolarHBondContact O-N 2.66Å; N98-F103 PolarHBondContact N-O 3.38Å; N98-F103 PolarHBondContact O-N 2.93Å
99A96.2Very high96.6Very high41 Ų4158 Ų5834%0.33928%0.284SS..THydrogen-bonded Turntrans-64.6-30.9-178.200000113.7F97 F126F97-A99 HydrophobicContact CD1-CB 4.5Å; A99-F126 HydrophobicContact CB-CE1 3.98Å; A99-F126 HydrophobicContact CB-CZ 4.08Å
100E95.7Very high96.7Very high190 Ų19060.2 Ų60.289%0.88830%0.297SS*.THydrogen-bonded Turntrans-70.2-39177.4-62.1-178.7168.400111.8N98N98-E100 VanDerWaalsContact C-N 3.31Å; N98-E100 PolarHBondContact O-N 3.38Å; N98-E100 WeakPolarHBondContact OD1-CB 3.44Å; N98-E100 PolarHBondContact OD1-N 2.72Å; N98-E100 VanDerWaalsContact OD1-N 3.11Å
101K97Very high96.7Very high139 Ų13960.9 Ų60.960%0.60431%0.313SS*.THydrogen-bonded Turntrans-87.1-16.8178-63.8-173.3178.6-179.40113.3N98 F103N98-K101 HydrophobicContact CB-CB 4.22Å; N98-K101 PolarHBondContact O-N 3.03Å; N98-K101 PolarHBondContact OD1-N 3.36Å; K101-F103 HydrophobicContact CB-CD1 3.72Å; K101-F103 HydrophobicContact CB-CE1 3.47Å; K101-F103 VanDerWaalsContact CB-CE1 3.47Å; K101-F103 HydrophobicContact CB-CZ 4.29Å; K101-F103 HydrophobicContact CD-CE1 3.82Å; K101-F103 HydrophobicContact CD-CZ 3.95Å; K101-F103 HydrophobicContact CG-CE1 4.25Å; K101-F103 WeakPolarHBondContact O-CD1 3.41Å
102G97Very high96.7Very high6 Ų660.3 Ų60.36%0.06232%0.315CS..THydrogen-bonded Turntrans74.727178.300000114.8N98 H117 F118N98-G102 WeakPolarHBondContact O-CA 3.25Å; N98-G102 PolarHBondContact O-N 2.66Å; G102-H117 PolarHBondContact O-CD2 3.06Å; G102-H117 VanDerWaalsContact O-CD2 3.3Å; G102-F118 WeakPolarHBondContact O-CB 3.34Å; G102-F118 WeakPolarHBondContact O-CD1 3.39Å; G102-F118 PolarHBondContact O-N 2.86Å
103F97.4Very high96.6Very high67 Ų6763 Ų6329%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-150.1162.2176.968.5-95.9000113.7W96 N98 K101 F115 A116W96-F103 AromaticContact CH2-CD2 3.77Å; W96-F103 HydrophobicContact CH2-CD2 3.77Å; W96-F103 AromaticContact CH2-CE2 3.63Å; W96-F103 HydrophobicContact CH2-CE2 3.63Å; W96-F103 HydrophobicContact CZ3-CD2 4.21Å; W96-F103 HydrophobicContact CZ3-CE2 4.25Å; W96-F103 WeakPolarHBondContact CZ3-O 2.93Å; N98-F103 PolarHBondContact N-O 3.38Å; N98-F103 PolarHBondContact O-N 2.93Å; K101-F103 HydrophobicContact CB-CD1 3.72Å; K101-F103 HydrophobicContact CB-CE1 3.47Å; K101-F103 VanDerWaalsContact CB-CE1 3.47Å; K101-F103 HydrophobicContact CB-CZ 4.29Å; K101-F103 HydrophobicContact CD-CE1 3.82Å; K101-F103 HydrophobicContact CD-CZ 3.95Å; K101-F103 HydrophobicContact CG-CE1 4.25Å; K101-F103 WeakPolarHBondContact O-CD1 3.41Å; F103-F115 HydrophobicContact CB-CE2 3.86Å; F103-F115 HydrophobicContact CB-CZ 3.85Å; F103-F115 HydrophobicContact CD2-CE2 4Å; F103-F115 HydrophobicContact CG-CE2 4.2Å; F103-F115 HydrophobicContact CG-CZ 4.43Å; F103-A116 CarbonylContact C-O 3.55Å; F103-A116 VanDerWaalsContact CA-O 3.23Å; F103-A116 WeakPolarHBondContact CA-O 3.48Å
104G97.8Very high96.6Very high0 Ų059.8 Ų59.80%031%0.308CS..EExtended strand (participates in β ladder)trans-169-159.3-179.700000112.4W96 A116W96-G104 CarbonylContact O-C 3.57Å; W96-G104 WeakPolarHBondContact O-CA 3.43Å; G104-A116 PolarHBondContact N-O 3.15Å; G104-A116 PolarHBondContact O-N 3.44Å
105F98.3Very high96.6Very high64 Ų6463 Ų6328%0.28132%0.321SS..EExtended strand (participates in β ladder)trans-136.4144.7175.5-77.1-95.2000111K95 W96 D113 V114 F115K95-F105 HydrophobicContact CB-CB 4.47Å; K95-F105 WeakPolarHBondContact CB-O 3.29Å; K95-F105 PolarHBondContact N-O 2.93Å; W96-F105 AromaticContact CE2-CD2 3.67Å; W96-F105 HydrophobicContact CH2-CD2 4.35Å; W96-F105 AromaticContact CZ2-CD2 3.43Å; W96-F105 HydrophobicContact CZ2-CD2 3.43Å; W96-F105 VanDerWaalsContact CZ2-CD2 3.43Å; W96-F105 AromaticContact CZ2-CE2 3.8Å; W96-F105 HydrophobicContact CZ2-CE2 3.8Å; W96-F105 PolarHBondContact N-O 3.39Å; W96-F105 AromaticContact NE1-CD2 3.67Å; W96-F105 PolarHBondContact O-N 3.43Å; F105-D113 HydrophobicContact CD1-CB 4.07Å; F105-V114 WeakPolarHBondContact CA-O 3.45Å; F105-F115 HydrophobicContact CD1-CB 4.45Å; F105-F115 HydrophobicContact CE1-CB 4Å; F105-F115 HydrophobicContact CE1-CD2 4.3Å; F105-F115 HydrophobicContact CE2-CD2 4.1Å; F105-F115 HydrophobicContact CZ-CB 4.4Å; F105-F115 AromaticContact CZ-CD2 3.9Å; F105-F115 HydrophobicContact CZ-CD2 3.9Å
106I98.5Very high96.6Very high0 Ų058.4 Ų58.40%030%0.302CS..EExtended strand (participates in β ladder)trans-111.1132.5170.9-61.7159.5000106.9T93 V94 V114 A116 L129 V135 F137 A148 I151T93-I106 CarbonylContact O-C 3.58Å; T93-I106 WeakPolarHBondContact O-CA 3.16Å; V94-I106 HydrophobicContact CG2-CG1 4.23Å; I106-V114 PolarHBondContact N-O 3.31Å; I106-V114 PolarHBondContact O-N 2.9Å; I106-A116 HydrophobicContact CD1-CB 3.8Å; I106-A116 HydrophobicContact CG1-CB 4.02Å; I106-L129 HydrophobicContact CD1-CD1 4.35Å; I106-V135 HydrophobicContact CB-CG2 4.47Å; I106-V135 HydrophobicContact CD1-CG2 3.77Å; I106-V135 HydrophobicContact CG1-CG2 3.96Å; I106-V135 HydrophobicContact CG2-CG2 3.63Å; I106-F137 HydrophobicContact CB-CE1 4.39Å; I106-F137 HydrophobicContact CB-CZ 4.48Å; I106-F137 HydrophobicContact CD1-CD1 4.24Å; I106-F137 HydrophobicContact CD1-CG 4.48Å; I106-F137 HydrophobicContact CG2-CD1 4.15Å; I106-F137 HydrophobicContact CG2-CE1 3.44Å; I106-F137 VanDerWaalsContact CG2-CE1 3.44Å; I106-F137 HydrophobicContact CG2-CZ 3.79Å; I106-A148 HydrophobicContact CD1-CB 4.1Å; I106-I151 HydrophobicContact CD1-CD1 3.94Å; I106-I151 HydrophobicContact CD1-CG1 4.21Å; I106-I151 HydrophobicContact CD1-CG2 4.1Å
107T98Very high96.5Very high43 Ų4357.3 Ų57.326%0.26430%0.3SS..EExtended strand (participates in β ladder)trans-90.3116.4168.5-59.60000108.1G92 T93 D113G92-T107 CarbonylContact C-O 3.52Å; G92-T107 WeakPolarHBondContact CA-O 3.32Å; T93-T107 PolarHBondContact N-O 3.06Å; T93-T107 PolarHBondContact O-N 2.81Å; T107-D113 PolarHBondContact OG1-OD1 3.31Å
108G96Very high96.5Very high8 Ų860.3 Ų60.38%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-69.6164.317700000112.7K91 D110 G111 N112K91-G108 WeakPolarHBondContact O-CA 3.12Å; G108-D110 PolarHBondContact O-N 3.34Å; G108-G111 PolarHBondContact O-N 3.07Å; G108-N112 PolarHBondContact N-O 3.19Å
109E93.4Very high96.4Very high122 Ų12261.8 Ų61.857%0.5733%0.328SS*.THydrogen-bonded Turntrans-59.8-22.5173.7-76.1-175.7165.500113.7K5 K91 G111K5-E109 IonicContact NZ-OE2 3.76Å; K5-E109 PolarHBondContact NZ-OE2 3.13Å; K5-E109 VanDerWaalsContact NZ-OE2 3.1Å; K91-E109 HydrophobicContact CB-CG 3.95Å; K91-E109 WeakPolarHBondContact CB-OE1 3.45Å; K91-E109 PolarHBondContact O-N 2.93Å; E109-G111 PolarHBondContact O-N 3.1Å
110D90.2Very high96.4Very high105 Ų10560.6 Ų60.656%0.56132%0.318SS*.THydrogen-bonded Turntrans-78.5-6.517467.8-11.1000113.3G108 N112G108-D110 PolarHBondContact O-N 3.34Å; D110-N112 VanDerWaalsContact CG-ND2 3.34Å; D110-N112 WeakPolarHBondContact OD1-CB 3.37Å; D110-N112 PolarHBondContact OD1-N 2.87Å; D110-N112 PolarHBondContact OD2-ND2 3.23Å
111G93.5Very high96.5Very high52 Ų5251.7 Ų51.754%0.53628%0.276SS..SBendtrans86.5-0.3-178.200000114.9G108 E109G108-G111 PolarHBondContact O-N 3.07Å; E109-G111 PolarHBondContact O-N 3.1Å
112N94.1Very high96.4Very high82 Ų8249.3 Ų49.344%0.43927%0.267SS..  trans-81.6141.3177.9-69-49.3000111.2G108 D110 L146G108-N112 PolarHBondContact N-O 3.19Å; D110-N112 VanDerWaalsContact CG-ND2 3.34Å; D110-N112 WeakPolarHBondContact OD1-CB 3.37Å; D110-N112 PolarHBondContact OD1-N 2.87Å; D110-N112 PolarHBondContact OD2-ND2 3.23Å; N112-L146 HydrophobicContact CB-CD1 4.5Å
113D96.8Very high96.1Very high66 Ų6651.7 Ų51.735%0.35329%0.292SS..EExtended strand (participates in β ladder)trans-83.4128.7171.7-77.2-12.1000109.8K95 F105 T107K95-D113 IonicContact NZ-OD1 3.38Å; K95-D113 PolarHBondContact NZ-OD1 2.98Å; K95-D113 IonicContact NZ-OD2 2.63Å; K95-D113 PolarHBondContact NZ-OD2 2.66Å; F105-D113 HydrophobicContact CD1-CB 4.07Å; T107-D113 PolarHBondContact OG1-OD1 3.31Å
114V97.3Very high95.6Very high3 Ų357.8 Ų57.82%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-118129.2-178.8-175.50000108.9F105 I106 A116 F137 V139 L146 A148F105-V114 WeakPolarHBondContact CA-O 3.45Å; I106-V114 PolarHBondContact N-O 3.31Å; I106-V114 PolarHBondContact O-N 2.9Å; V114-A116 PolarHBondContact O-N 2.82Å; V114-F137 HydrophobicContact CB-CE2 4.07Å; V114-F137 HydrophobicContact CG1-CD2 4.44Å; V114-F137 HydrophobicContact CG1-CE2 4.02Å; V114-F137 HydrophobicContact CG2-CE2 3.99Å; V114-F137 HydrophobicContact CG2-CZ 4.41Å; V114-V139 HydrophobicContact CG2-CG2 4.46Å; V114-L146 HydrophobicContact CG1-CB 4.27Å; V114-L146 HydrophobicContact CG2-CB 4.3Å; V114-A148 HydrophobicContact CG1-CB 3.77Å; V114-A148 VanDerWaalsContact CG1-N 3.28Å
115F98.1Very high95.2Very high69 Ų6961 Ų6130%0.30336%0.355SS..EExtended strand (participates in β ladder)trans-67.9131.1-179.4176.6-106.2000111.1F103 F105 H117 L146 Q147 A148F103-F115 HydrophobicContact CB-CE2 3.86Å; F103-F115 HydrophobicContact CB-CZ 3.85Å; F103-F115 HydrophobicContact CD2-CE2 4Å; F103-F115 HydrophobicContact CG-CE2 4.2Å; F103-F115 HydrophobicContact CG-CZ 4.43Å; F105-F115 HydrophobicContact CD1-CB 4.45Å; F105-F115 HydrophobicContact CE1-CB 4Å; F105-F115 HydrophobicContact CE1-CD2 4.3Å; F105-F115 HydrophobicContact CE2-CD2 4.1Å; F105-F115 HydrophobicContact CZ-CB 4.4Å; F105-F115 AromaticContact CZ-CD2 3.9Å; F105-F115 HydrophobicContact CZ-CD2 3.9Å; F115-H117 HydrophobicContact CE1-CB 3.89Å; F115-H117 HydrophobicContact CZ-CB 4.32Å; F115-L146 WeakPolarHBondContact CB-O 3.18Å; F115-L146 PolarHBondContact N-O 3.34Å; F115-Q147 HydrophobicContact CD1-CB 4.42Å; F115-Q147 CarbonylContact O-C 3.49Å; F115-Q147 WeakPolarHBondContact O-CA 3.34Å; F115-A148 PolarHBondContact O-N 3.33Å
116A97.9Very high94.8Very high0 Ų065.1 Ų65.10%037%0.373CS..EExtended strand (participates in β ladder)trans-117.9120.817900000110.6F103 G104 I106 V114 L129 I151F103-A116 CarbonylContact C-O 3.55Å; F103-A116 VanDerWaalsContact CA-O 3.23Å; F103-A116 WeakPolarHBondContact CA-O 3.48Å; G104-A116 PolarHBondContact N-O 3.15Å; G104-A116 PolarHBondContact O-N 3.44Å; I106-A116 HydrophobicContact CD1-CB 3.8Å; I106-A116 HydrophobicContact CG1-CB 4.02Å; V114-A116 PolarHBondContact O-N 2.82Å; A116-L129 HydrophobicContact CB-CD1 4.3Å; A116-I151 HydrophobicContact CB-CD1 3.81Å
117H97.7Very high94.7Very high68 Ų6867.4 Ų67.432%0.31538%0.383SS..EExtended strand (participates in β ladder)trans-107.1147172.6-171.5-113.4000110.5G102 F115 S119 A120G102-H117 PolarHBondContact O-CD2 3.06Å; G102-H117 VanDerWaalsContact O-CD2 3.3Å; F115-H117 HydrophobicContact CE1-CB 3.89Å; F115-H117 HydrophobicContact CZ-CB 4.32Å; H117-S119 WeakPolarHBondContact ND1-CB 3.35Å; H117-S119 PolarHBondContact ND1-N 2.85Å; H117-S119 PolarHBondContact ND1-OG 2.86Å; H117-S119 PolarHBondContact O-N 2.96Å; H117-S119 VanDerWaalsContact O-N 3.09Å; H117-A120 WeakPolarHBondContact O-CB 3.27Å; H117-A120 PolarHBondContact O-N 3.14Å
118F96.8Very high94.6Very high90 Ų9066.4 Ų66.440%0.39538%0.377SS..G310 helixtrans-57.4-31.3-176.179.9-89.5000113F97 G102 A120 I121 K127F97-F118 HydrophobicContact CZ-CB 4.06Å; G102-F118 WeakPolarHBondContact O-CB 3.34Å; G102-F118 WeakPolarHBondContact O-CD1 3.39Å; G102-F118 PolarHBondContact O-N 2.86Å; F118-A120 PolarHBondContact O-N 3Å; F118-I121 HydrophobicContact CB-CD1 4.42Å; F118-I121 WeakPolarHBondContact O-CB 3.27Å; F118-I121 PolarHBondContact O-N 2.96Å; F118-I121 VanDerWaalsContact O-N 3.17Å; F118-K127 HydrophobicContact CB-CB 4Å; F118-K127 HydrophobicContact CD2-CB 4.02Å; F118-K127 HydrophobicContact CD2-CG 4.46Å; F118-K127 WeakPolarHBondContact O-CB 3.32Å
119S96.2Very high94.7Very high83 Ų8366.3 Ų66.358%0.5838%0.375SS*.G310 helixtrans-66.7-20.1179.267.60000113.5H117H117-S119 WeakPolarHBondContact ND1-CB 3.35Å; H117-S119 PolarHBondContact ND1-N 2.85Å; H117-S119 PolarHBondContact ND1-OG 2.86Å; H117-S119 PolarHBondContact O-N 2.96Å; H117-S119 VanDerWaalsContact O-N 3.09Å
120A96.5Very high94.8Very high15 Ų1565.6 Ų65.612%0.12438%0.375CS..G310 helixtrans-83.7-17.6176.900000112.7H117 F118 Q122 A148 N150 I151H117-A120 WeakPolarHBondContact O-CB 3.27Å; H117-A120 PolarHBondContact O-N 3.14Å; F118-A120 PolarHBondContact O-N 3Å; A120-Q122 PolarHBondContact O-N 3Å; A120-Q122 PolarHBondContact O-NE2 2.86Å; A120-Q122 VanDerWaalsContact O-NE2 3.11Å; A120-A148 WeakPolarHBondContact CB-O 3.45Å; A120-N150 CarbonylContact O-C 3.57Å; A120-I151 HydrophobicContact CB-CD1 3.79Å; A120-I151 HydrophobicContact CB-CG1 4.12Å; A120-I151 PolarHBondContact O-N 3.16Å
121I97.4Very high95.2Very high4 Ų468.1 Ų68.12%0.02138%0.384CS..BIsolated β-bridgetrans-70.2128.3-179.6-54.7169.9000109.4F97 F118 K127 L129 I151F97-I121 HydrophobicContact CE2-CD1 4.16Å; F97-I121 HydrophobicContact CZ-CD1 3.87Å; F118-I121 HydrophobicContact CB-CD1 4.42Å; F118-I121 WeakPolarHBondContact O-CB 3.27Å; F118-I121 PolarHBondContact O-N 2.96Å; F118-I121 VanDerWaalsContact O-N 3.17Å; I121-K127 HydrophobicContact CB-CB 4.32Å; I121-K127 HydrophobicContact CB-CD 4.09Å; I121-K127 HydrophobicContact CD1-CB 4.26Å; I121-K127 HydrophobicContact CG2-CD 4.13Å; I121-K127 WeakPolarHBondContact O-CD 3.49Å; I121-K127 WeakPolarHBondContact O-CE 3.24Å; I121-K127 PolarHBondContact O-NZ 2.8Å; I121-L129 HydrophobicContact CD1-CD1 4.18Å; I121-L129 HydrophobicContact CD1-CD2 4.15Å; I121-L129 HydrophobicContact CD1-CG 3.7Å; I121-L129 HydrophobicContact CG1-CD1 4.35Å; I121-L129 HydrophobicContact CG1-CD2 4.33Å; I121-L129 HydrophobicContact CG1-CG 4.21Å; I121-L129 HydrophobicContact CG2-CD2 4.45Å; I121-I151 CarbonylContact C-O 3.48Å; I121-I151 WeakPolarHBondContact CA-O 3.29Å; I121-I151 HydrophobicContact CG1-CB 4.48Å; I121-I151 HydrophobicContact CG1-CD1 4.3Å
122Q94.8Very high95.4Very high88 Ų8868.1 Ų68.141%0.41138%0.384SS..  trans-81.8167.7177.1-59.4-53.5-5400112.1A120 K127 I151 V152A120-Q122 PolarHBondContact O-N 3Å; A120-Q122 PolarHBondContact O-NE2 2.86Å; A120-Q122 VanDerWaalsContact O-NE2 3.11Å; Q122-K127 PolarHBondContact O-NZ 2.87Å; Q122-I151 WeakPolarHBondContact CB-O 3.06Å; Q122-I151 PolarHBondContact N-O 2.94Å; Q122-V152 HydrophobicContact CB-CG2 3.95Å; Q122-V152 HydrophobicContact CG-CG2 3.86Å
123G90.7Very high95.6Very high57 Ų5766.1 Ų66.159%0.58837%0.372SS*.SBendtrans97.4-165.9-177.800000115.4K127G123-K127 WeakPolarHBondContact O-CE 3.4Å; G123-K127 PolarHBondContact O-NZ 2.71Å
124E86.8Confident95.6Very high194 Ų19465.1 Ų65.191%0.90737%0.372SS*.SBendtrans-116.7165.3-178.9-65.1-171.3172.300112
125G90.2Very high95.6Very high68 Ų6865.1 Ų65.170%0.70137%0.372SS*.SBendtrans76.4-147.5176.800000114.1K127G125-K127 PolarHBondContact O-N 2.92Å
126F90.7Very high95.5Very high151 Ų15162.3 Ų62.366%0.66236%0.361SS*.SBendtrans-74.8116.4-173.5-175.5-108.3000111.9A99 S128A99-F126 HydrophobicContact CB-CE1 3.98Å; A99-F126 HydrophobicContact CB-CZ 4.08Å; F126-S128 WeakPolarHBondContact CD1-OG 3.43Å; F126-S128 PolarHBondContact O-N 3.12Å
127K95.3Very high95.4Very high48 Ų4862.4 Ų62.421%0.20936%0.361CS..  trans-82.895.1-175.3-60.2-61.8-174.8154.40111.5F118 I121 Q122 G123 G125F118-K127 HydrophobicContact CB-CB 4Å; F118-K127 HydrophobicContact CD2-CB 4.02Å; F118-K127 HydrophobicContact CD2-CG 4.46Å; F118-K127 WeakPolarHBondContact O-CB 3.32Å; I121-K127 HydrophobicContact CB-CB 4.32Å; I121-K127 HydrophobicContact CB-CD 4.09Å; I121-K127 HydrophobicContact CD1-CB 4.26Å; I121-K127 HydrophobicContact CG2-CD 4.13Å; I121-K127 WeakPolarHBondContact O-CD 3.49Å; I121-K127 WeakPolarHBondContact O-CE 3.24Å; I121-K127 PolarHBondContact O-NZ 2.8Å; Q122-K127 PolarHBondContact O-NZ 2.87Å; G123-K127 WeakPolarHBondContact O-CE 3.4Å; G123-K127 PolarHBondContact O-NZ 2.71Å; G125-K127 PolarHBondContact O-N 2.92Å
128S96.4Very high95.2Very high21 Ų2159.8 Ų59.815%0.14735%0.35CS..  trans-141.5163.117656.10000111.3F126 K153F126-S128 WeakPolarHBondContact CD1-OG 3.43Å; F126-S128 PolarHBondContact O-N 3.12Å; S128-K153 WeakPolarHBondContact O-CE 3.14Å; S128-K153 PolarHBondContact O-NZ 3.25Å
129L97.3Very high95Very high7 Ų757.9 Ų57.94%0.03735%0.345CS..  trans-125.7146.8175-62.7172.9000108.6V94 F97 I106 A116 I121 V135 I151 K153V94-L129 HydrophobicContact CG1-CB 3.93Å; V94-L129 HydrophobicContact CG2-CB 3.84Å; V94-L129 HydrophobicContact CG2-CD1 3.92Å; V94-L129 HydrophobicContact CG2-CD2 4.4Å; V94-L129 HydrophobicContact CG2-CG 4.25Å; F97-L129 HydrophobicContact CB-CB 3.94Å; F97-L129 WeakPolarHBondContact CB-O 3.45Å; F97-L129 HydrophobicContact CD1-CB 4.38Å; F97-L129 HydrophobicContact CD2-CB 4.06Å; F97-L129 HydrophobicContact CD2-CD1 3.92Å; F97-L129 HydrophobicContact CD2-CG 4.2Å; F97-L129 HydrophobicContact CE2-CD1 4.19Å; F97-L129 HydrophobicContact CE2-CG 4.44Å; F97-L129 HydrophobicContact CG-CB 3.88Å; F97-L129 HydrophobicContact CG-CG 4.47Å; I106-L129 HydrophobicContact CD1-CD1 4.35Å; A116-L129 HydrophobicContact CB-CD1 4.3Å; I121-L129 HydrophobicContact CD1-CD1 4.18Å; I121-L129 HydrophobicContact CD1-CD2 4.15Å; I121-L129 HydrophobicContact CD1-CG 3.7Å; I121-L129 HydrophobicContact CG1-CD1 4.35Å; I121-L129 HydrophobicContact CG1-CD2 4.33Å; I121-L129 HydrophobicContact CG1-CG 4.21Å; I121-L129 HydrophobicContact CG2-CD2 4.45Å; L129-V135 HydrophobicContact CD2-CG1 4.01Å; L129-I151 HydrophobicContact CD1-CG2 4.31Å; L129-I151 HydrophobicContact CD2-CG2 4.27Å; L129-K153 HydrophobicContact CD2-CG 4.1Å
130D97.1Very high94.8Very high106 Ų10658.1 Ų58.157%0.56734%0.337SS*.  trans-96.1142.3175.4-62.4-52.1000110.3V94 G132 Q133V94-D130 VanDerWaalsContact CB-O 3.23Å; V94-D130 WeakPolarHBondContact CB-O 3.24Å; V94-D130 WeakPolarHBondContact CG1-O 3.36Å; D130-G132 PolarHBondContact O-N 3.09Å; D130-Q133 HydrophobicContact CB-CB 4.26Å; D130-Q133 WeakPolarHBondContact O-CB 3.28Å; D130-Q133 PolarHBondContact O-N 2.94Å
131E97.9Very high94.5Very high159 Ų15966 Ų6674%0.74337%0.372SS*.THydrogen-bonded Turntrans-59.3134.3174.8-176.1175162.700110.7K95 Q133K95-E131 WeakPolarHBondContact O-CG 3.19Å; E131-Q133 PolarHBondContact O-N 3.25Å
132G97.8Very high94.2Very high52 Ų5266.9 Ų66.954%0.53638%0.381SS..THydrogen-bonded Turntrans79.9-2.2-174.300000114.7T93 V94 D130T93-G132 WeakPolarHBondContact CG2-O 3.5Å; V94-G132 PolarHBondContact O-N 2.77Å; D130-G132 PolarHBondContact O-N 3.09Å
133Q97.6Very high93.9Very high40 Ų4072.6 Ų72.619%0.18741%0.408CS..  trans-67.2133.9177.8-177.716334.700111.4T93 V94 D130 E131 V135T93-Q133 WeakPolarHBondContact CA-O 2.93Å; V94-Q133 HydrophobicContact CB-CB 4.36Å; V94-Q133 HydrophobicContact CG2-CB 4.04Å; V94-Q133 WeakPolarHBondContact CG2-O 3.48Å; V94-Q133 PolarHBondContact N-O 2.86Å; D130-Q133 HydrophobicContact CB-CB 4.26Å; D130-Q133 WeakPolarHBondContact O-CB 3.28Å; D130-Q133 PolarHBondContact O-N 2.94Å; E131-Q133 PolarHBondContact O-N 3.25Å; Q133-V135 HydrophobicContact CG-CG1 4.29Å
134A97.7Very high93.8Very high45 Ų4581.8 Ų81.837%0.37243%0.425SS..EExtended strand (participates in β ladder)trans-75.2138170.500000110.3D154A134-D154 HydrophobicContact CB-CB 4.03Å; A134-D154 PolarHBondContact O-N 2.74Å; A134-D154 VanDerWaalsContact O-N 3.12Å
135V97.3Very high94.1Very high2 Ų274.6 Ų74.61%0.01240%0.402CS..EExtended strand (participates in β ladder)trans-144.3152.1-178-66.10000111K91 G92 V94 I106 L129 Q133 F137 I151 V152K91-V135 WeakPolarHBondContact CA-O 3.38Å; G92-V135 PolarHBondContact N-O 3.27Å; G92-V135 PolarHBondContact O-N 3.09Å; V94-V135 HydrophobicContact CG2-CG1 3.82Å; V94-V135 HydrophobicContact CG2-CG2 4.21Å; I106-V135 HydrophobicContact CB-CG2 4.47Å; I106-V135 HydrophobicContact CD1-CG2 3.77Å; I106-V135 HydrophobicContact CG1-CG2 3.96Å; I106-V135 HydrophobicContact CG2-CG2 3.63Å; L129-V135 HydrophobicContact CD2-CG1 4.01Å; Q133-V135 HydrophobicContact CG-CG1 4.29Å; V135-F137 HydrophobicContact CG2-CD1 4.04Å; V135-F137 HydrophobicContact CG2-CE1 4.3Å; V135-I151 HydrophobicContact CB-CG2 4.05Å; V135-I151 HydrophobicContact CG1-CG2 4.11Å; V135-V152 CarbonylContact C-O 3.5Å; V135-V152 VanDerWaalsContact CA-O 3.26Å; V135-V152 WeakPolarHBondContact CA-O 3.49Å; V135-V152 WeakPolarHBondContact CB-O 3.17Å
136T95.8Very high94.3Very high10 Ų1074.5 Ų74.56%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-109.9144.8164.8520000110.4M89 N90 K91 I151 V152M89-T136 HydrophobicContact CE-CG2 4.04Å; M89-T136 HydrophobicContact CG-CG2 4.36Å; N90-T136 CarbonylContact O-C 3.58Å; N90-T136 WeakPolarHBondContact O-CA 3.43Å; K91-T136 HydrophobicContact CG-CG2 3.78Å; T136-I151 CarbonylContact O-C 3.5Å; T136-I151 WeakPolarHBondContact O-CA 3.07Å; T136-V152 PolarHBondContact N-O 3.29Å; T136-V152 PolarHBondContact O-N 3.37Å
137F95.8Very high94.6Very high2 Ų270.6 Ų70.61%0.00937%0.369CS..EExtended strand (participates in β ladder)trans-159.2159.5-176.256.4-79.6000112N90 I106 V114 V135 V139 A148 I151N90-F137 WeakPolarHBondContact CA-O 3.43Å; N90-F137 HydrophobicContact CB-CD2 4.18Å; N90-F137 HydrophobicContact CB-CE1 4.32Å; N90-F137 HydrophobicContact CB-CE2 3.94Å; N90-F137 HydrophobicContact CB-CG 4.49Å; N90-F137 HydrophobicContact CB-CZ 4.01Å; N90-F137 VanDerWaalsContact CB-O 3.29Å; N90-F137 WeakPolarHBondContact CB-O 3.41Å; N90-F137 PolarHBondContact N-O 2.82Å; N90-F137 PolarHBondContact O-N 2.88Å; I106-F137 HydrophobicContact CB-CE1 4.39Å; I106-F137 HydrophobicContact CB-CZ 4.48Å; I106-F137 HydrophobicContact CD1-CD1 4.24Å; I106-F137 HydrophobicContact CD1-CG 4.48Å; I106-F137 HydrophobicContact CG2-CD1 4.15Å; I106-F137 HydrophobicContact CG2-CE1 3.44Å; I106-F137 VanDerWaalsContact CG2-CE1 3.44Å; I106-F137 HydrophobicContact CG2-CZ 3.79Å; V114-F137 HydrophobicContact CB-CE2 4.07Å; V114-F137 HydrophobicContact CG1-CD2 4.44Å; V114-F137 HydrophobicContact CG1-CE2 4.02Å; V114-F137 HydrophobicContact CG2-CE2 3.99Å; V114-F137 HydrophobicContact CG2-CZ 4.41Å; V135-F137 HydrophobicContact CG2-CD1 4.04Å; V135-F137 HydrophobicContact CG2-CE1 4.3Å; F137-V139 HydrophobicContact CD2-CG2 3.81Å; F137-V139 HydrophobicContact CE2-CG2 3.5Å; F137-A148 HydrophobicContact CB-CB 4.03Å; F137-A148 HydrophobicContact CD2-CB 3.61Å; F137-A148 HydrophobicContact CE2-CB 4.35Å; F137-A148 HydrophobicContact CG-CB 4Å; F137-I151 HydrophobicContact CB-CB 4.43Å; F137-I151 HydrophobicContact CB-CG1 3.94Å
138D93.1Very high94.7Very high14 Ų1468.5 Ų68.58%0.07536%0.361CS..EExtended strand (participates in β ladder)trans-89.4148.9166.3-65.1-31.1000109L87 A148 S149 N150L87-D138 HydrophobicContact CD1-CB 3.88Å; D138-A148 CarbonylContact O-C 3.54Å; D138-A148 VanDerWaalsContact O-CA 3.29Å; D138-A148 WeakPolarHBondContact O-CA 3.26Å; D138-S149 WeakPolarHBondContact CB-OG 3.17Å; D138-S149 PolarHBondContact N-O 2.9Å; D138-S149 PolarHBondContact O-N 3.14Å; D138-N150 PolarHBondContact OD2-ND2 2.67Å
139V92.8Very high94.6Very high50 Ų5068.2 Ų68.230%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-109.3128.7177.6175.10000109.3N90 V114 F137 L146N90-V139 HydrophobicContact CB-CG2 4.2Å; V114-V139 HydrophobicContact CG2-CG2 4.46Å; F137-V139 HydrophobicContact CD2-CG2 3.81Å; F137-V139 HydrophobicContact CE2-CG2 3.5Å; V139-L146 HydrophobicContact CG1-CB 4.31Å; V139-L146 HydrophobicContact CG1-CD2 3.87Å; V139-L146 HydrophobicContact CG1-CG 4.46Å
140E91.8Very high94.5Very high87 Ų8771.7 Ų71.741%0.40738%0.378SS..EExtended strand (participates in β ladder)trans-127.5155.1177.2-65.8174.9-16600110.8G142 Q147 S149E140-G142 PolarHBondContact O-N 2.93Å; E140-Q147 HydrophobicContact CB-CG 3.88Å; E140-Q147 PolarHBondContact N-O 2.96Å; E140-Q147 WeakPolarHBondContact O-CG 3.23Å; E140-Q147 PolarHBondContact O-N 2.87Å; E140-S149 VanDerWaalsContact CD-OG 3.23Å; E140-S149 VanDerWaalsContact OE1-CB 3.27Å; E140-S149 WeakPolarHBondContact OE1-CB 3.26Å; E140-S149 PolarHBondContact OE1-OG 2.99Å
141E91.1Very high94.4Very high182 Ų18266.6 Ų66.685%0.8535%0.351SS*.EExtended strand (participates in β ladder)trans-76.9114.1167.5-72.8-16217000110.3
142G89.9Confident94.3Very high22 Ų2262.2 Ų62.223%0.22733%0.334CS..EExtended strand (participates in β ladder)trans-98.2170172.200000112.6E140 R144 G145E140-G142 PolarHBondContact O-N 2.93Å; G142-R144 PolarHBondContact O-N 2.58Å; G142-G145 CarbonylContact C-O 3.6Å; G142-G145 VanDerWaalsContact CA-O 3.27Å; G142-G145 WeakPolarHBondContact CA-O 3.5Å; G142-G145 PolarHBondContact N-O 3.13Å; G142-G145 PolarHBondContact O-N 2.9Å
143Q88.2Confident94.1Very high207 Ų20763.7 Ų63.797%0.96733%0.326SS*.THydrogen-bonded Turntrans-59.2-16.9177.8-67-175.8-5.700114.4
144R89.4Confident93.6Very high251 Ų25169.1 Ų69.195%0.94736%0.357SS*.THydrogen-bonded Turntrans-126.124.7-175.1-63.7-175.9175.7178.6-1.1112.5G142G142-R144 PolarHBondContact O-N 2.58Å
145G92.4Very high93.4Very high42 Ų4270.4 Ų70.443%0.43336%0.356SS..EExtended strand (participates in β ladder)trans104.6-163.7-175.100000112.3G142 Q147G142-G145 CarbonylContact C-O 3.6Å; G142-G145 VanDerWaalsContact CA-O 3.27Å; G142-G145 WeakPolarHBondContact CA-O 3.5Å; G142-G145 PolarHBondContact N-O 3.13Å; G142-G145 PolarHBondContact O-N 2.9Å; G145-Q147 PolarHBondContact O-N 3.14Å
146L95.6Very high93.2Very high67 Ų6773.9 Ų73.935%0.35137%0.374SS..EExtended strand (participates in β ladder)trans-61.6131.2-176.2-60.1176.7000111.2N112 V114 F115 V139N112-L146 HydrophobicContact CB-CD1 4.5Å; V114-L146 HydrophobicContact CG1-CB 4.27Å; V114-L146 HydrophobicContact CG2-CB 4.3Å; F115-L146 WeakPolarHBondContact CB-O 3.18Å; F115-L146 PolarHBondContact N-O 3.34Å; V139-L146 HydrophobicContact CG1-CB 4.31Å; V139-L146 HydrophobicContact CG1-CD2 3.87Å; V139-L146 HydrophobicContact CG1-CG 4.46Å
147Q96.8Very high93Very high68 Ų6877.5 Ų77.532%0.31839%0.391SS..EExtended strand (participates in β ladder)trans-123.4147.817569.3179.6-28.100110.7F115 E140 G145F115-Q147 HydrophobicContact CD1-CB 4.42Å; F115-Q147 CarbonylContact O-C 3.49Å; F115-Q147 WeakPolarHBondContact O-CA 3.34Å; E140-Q147 HydrophobicContact CB-CG 3.88Å; E140-Q147 PolarHBondContact N-O 2.96Å; E140-Q147 WeakPolarHBondContact O-CG 3.23Å; E140-Q147 PolarHBondContact O-N 2.87Å; G145-Q147 PolarHBondContact O-N 3.14Å
148A96.6Very high92.9Very high5 Ų581.9 Ų81.94%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-91.4130.2175.400000109.5I106 V114 F115 A120 F137 D138 I151I106-A148 HydrophobicContact CD1-CB 4.1Å; V114-A148 HydrophobicContact CG1-CB 3.77Å; V114-A148 VanDerWaalsContact CG1-N 3.28Å; F115-A148 PolarHBondContact O-N 3.33Å; A120-A148 WeakPolarHBondContact CB-O 3.45Å; F137-A148 HydrophobicContact CB-CB 4.03Å; F137-A148 HydrophobicContact CD2-CB 3.61Å; F137-A148 HydrophobicContact CE2-CB 4.35Å; F137-A148 HydrophobicContact CG-CB 4Å; D138-A148 CarbonylContact O-C 3.54Å; D138-A148 VanDerWaalsContact O-CA 3.29Å; D138-A148 WeakPolarHBondContact O-CA 3.26Å; A148-I151 HydrophobicContact CB-CD1 3.76Å; A148-I151 HydrophobicContact CB-CG1 3.73Å
149S95Very high92.9Very high14 Ų1486.2 Ų86.210%0.09844%0.435CS..EExtended strand (participates in β ladder)trans-115.2164.3167.560.50000109.9D138 E140 I151D138-S149 WeakPolarHBondContact CB-OG 3.17Å; D138-S149 PolarHBondContact N-O 2.9Å; D138-S149 PolarHBondContact O-N 3.14Å; E140-S149 VanDerWaalsContact CD-OG 3.23Å; E140-S149 VanDerWaalsContact OE1-CB 3.27Å; E140-S149 WeakPolarHBondContact OE1-CB 3.26Å; E140-S149 PolarHBondContact OE1-OG 2.99Å; S149-I151 VanDerWaalsContact C-N 3.26Å; S149-I151 PolarHBondContact O-N 3.13Å; S149-I151 VanDerWaalsContact O-N 3.09Å
150N93.8Very high92.9Very high80 Ų8088.6 Ų88.643%0.42844%0.444SS..EExtended strand (participates in β ladder)trans48.242.5179-58.7-37.8000114.9A120 D138 V152A120-N150 CarbonylContact O-C 3.57Å; D138-N150 PolarHBondContact OD2-ND2 2.67Å; N150-V152 PolarHBondContact O-N 3.35Å; N150-V152 VanDerWaalsContact O-N 3.17Å
151I96.2Very high92.9Very high0 Ų088.7 Ų88.70%045%0.446CS..EExtended strand (participates in β ladder)trans-68.4115.7-176.3-54.1164.2000109.6I106 A116 A120 I121 Q122 L129 V135 T136 F137 A148 S149I106-I151 HydrophobicContact CD1-CD1 3.94Å; I106-I151 HydrophobicContact CD1-CG1 4.21Å; I106-I151 HydrophobicContact CD1-CG2 4.1Å; A116-I151 HydrophobicContact CB-CD1 3.81Å; A120-I151 HydrophobicContact CB-CD1 3.79Å; A120-I151 HydrophobicContact CB-CG1 4.12Å; A120-I151 PolarHBondContact O-N 3.16Å; I121-I151 CarbonylContact C-O 3.48Å; I121-I151 WeakPolarHBondContact CA-O 3.29Å; I121-I151 HydrophobicContact CG1-CB 4.48Å; I121-I151 HydrophobicContact CG1-CD1 4.3Å; Q122-I151 WeakPolarHBondContact CB-O 3.06Å; Q122-I151 PolarHBondContact N-O 2.94Å; L129-I151 HydrophobicContact CD1-CG2 4.31Å; L129-I151 HydrophobicContact CD2-CG2 4.27Å; V135-I151 HydrophobicContact CB-CG2 4.05Å; V135-I151 HydrophobicContact CG1-CG2 4.11Å; T136-I151 CarbonylContact O-C 3.5Å; T136-I151 WeakPolarHBondContact O-CA 3.07Å; F137-I151 HydrophobicContact CB-CB 4.43Å; F137-I151 HydrophobicContact CB-CG1 3.94Å; A148-I151 HydrophobicContact CB-CD1 3.76Å; A148-I151 HydrophobicContact CB-CG1 3.73Å; S149-I151 VanDerWaalsContact C-N 3.26Å; S149-I151 PolarHBondContact O-N 3.13Å; S149-I151 VanDerWaalsContact O-N 3.09Å
152V94.8Very high93.1Very high66 Ų6681.5 Ų81.540%0.442%0.415SS..EExtended strand (participates in β ladder)trans-108.3138.7173.4-178.70000108.5Q122 V135 T136 N150Q122-V152 HydrophobicContact CB-CG2 3.95Å; Q122-V152 HydrophobicContact CG-CG2 3.86Å; V135-V152 CarbonylContact C-O 3.5Å; V135-V152 VanDerWaalsContact CA-O 3.26Å; V135-V152 WeakPolarHBondContact CA-O 3.49Å; V135-V152 WeakPolarHBondContact CB-O 3.17Å; T136-V152 PolarHBondContact N-O 3.29Å; T136-V152 PolarHBondContact O-N 3.37Å; N150-V152 PolarHBondContact O-N 3.35Å; N150-V152 VanDerWaalsContact O-N 3.17Å
153K94.2Very high93.3Very high83 Ų8386.5 Ų86.536%0.36143%0.431SS..EExtended strand (participates in β ladder)trans-82.2129.5174.4-57.5172.2-178-165.20108S128 L129S128-K153 WeakPolarHBondContact O-CE 3.14Å; S128-K153 PolarHBondContact O-NZ 3.25Å; L129-K153 HydrophobicContact CD2-CG 4.1Å
154D87Confident93.8Very high155 Ų15575.5 Ų75.583%0.82938%0.382SS*.  trans-79.30175-147.819.3000111A134A134-D154 HydrophobicContact CB-CB 4.03Å; A134-D154 PolarHBondContact O-N 2.74Å; A134-D154 VanDerWaalsContact O-N 3.12Å

Retrieved 154 of 154 residues in 941.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).