A0A077ZG86_TRITR Loading...

Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical]

AlphaFold DB , UniProt , Accession A0A077ZG86, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 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
1M86Confident96.8Very high229 Ų22940.6 Ų40.6100%1.12820%0.202SC*.  0138.10-171.6178.5-77.900107.8
2T93.8Very high96.9Very high71 Ų7139.5 Ų39.544%0.43620%0.195SC..  trans-87.8128.8-180-57.80000109.6P82 E84T2-P82 WeakPolarHBondContact CA-O 3.41Å; T2-P82 HydrophobicContact CG2-CB 4.17Å; T2-E84 HydrophobicContact CG2-CB 4.03Å
3E96.1Very high96.9Very high45 Ų4543.3 Ų43.321%0.2121%0.206CC..EExtended strand (participates in β ladder)trans-73.5129.3170.4-178.2179.9122.800109.4R38 P82 K83 E84E3-R38 HydrophobicContact CG-CG 4.16Å; E3-R38 IonicContact OE1-CZ 3.88Å; E3-R38 IonicContact OE1-NE 2.72Å; E3-R38 PolarHBondContact OE1-NE 3.31Å; E3-R38 VanDerWaalsContact OE1-NE 3.08Å; E3-R38 IonicContact OE1-NH2 3.22Å; E3-R38 IonicContact OE2-CZ 3.51Å; E3-R38 VanDerWaalsContact OE2-CZ 3.22Å; E3-R38 IonicContact OE2-NE 3.58Å; E3-R38 PolarHBondContact OE2-NE 3.11Å; E3-R38 IonicContact OE2-NH2 3.67Å; E3-R38 PolarHBondContact OE2-NH2 3.29Å; E3-P82 PolarHBondContact N-O 2.99Å; E3-K83 CarbonylContact O-C 3.57Å; E3-K83 WeakPolarHBondContact O-CA 3.39Å; E3-K83 WeakPolarHBondContact OE1-CE 3.3Å; E3-K83 IonicContact OE1-NZ 3.42Å; E3-K83 PolarHBondContact OE1-NZ 2.83Å; E3-E84 PolarHBondContact O-N 2.97Å
4K98.1Very high96.8Very high101 Ų10141.1 Ų41.144%0.43920%0.198SC..EExtended strand (participates in β ladder)trans-107.2138.2177.1-67.5-178171.4-166.70110.1R38 L39 Y45 E84K4-R38 WeakPolarHBondContact O-CA 3.38Å; K4-L39 HydrophobicContact CB-CD1 4.05Å; K4-L39 HydrophobicContact CB-CD2 4.28Å; K4-L39 PolarHBondContact O-N 3.27Å; K4-Y45 HydrophobicContact CB-CE1 4.46Å; K4-Y45 HydrophobicContact CD-CE1 4.5Å; K4-Y45 WeakPolarHBondContact CD-OH 3.3Å; K4-Y45 WeakPolarHBondContact CE-OH 3.39Å; K4-Y45 PolarHBondContact NZ-OH 3.05Å; K4-E84 CarbonylContact C-O 3.47Å; K4-E84 WeakPolarHBondContact CA-O 3.4Å
5A98.3Very high96.5Very high0 Ų047.5 Ų47.50%023%0.234CC..EExtended strand (participates in β ladder)trans-139.2159.3176.500000110.6G37 L39 E84 V85 V86A5-G37 CarbonylContact C-O 3.44Å; A5-G37 WeakPolarHBondContact CA-O 3.41Å; A5-G37 WeakPolarHBondContact CB-O 3.21Å; A5-L39 VanDerWaalsContact C-CD1 3.42Å; A5-E84 PolarHBondContact N-O 3.02Å; A5-V85 HydrophobicContact CB-CG1 4.34Å; A5-V85 HydrophobicContact CB-CG2 4.16Å; A5-V85 WeakPolarHBondContact O-CA 3.25Å; A5-V86 PolarHBondContact O-N 3.24Å
6A98.6Very high96.2Very high0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-142.2156.2175.100000111.3K36 G37 L39 Y45 A48 A49 V86A6-K36 VanDerWaalsContact O-CA 3.23Å; A6-K36 WeakPolarHBondContact O-CA 3.29Å; A6-K36 WeakPolarHBondContact O-CB 3.37Å; A6-G37 PolarHBondContact N-O 3.01Å; A6-G37 PolarHBondContact O-N 3.28Å; A6-L39 HydrophobicContact CB-CD1 4.01Å; A6-Y45 HydrophobicContact CB-CD1 4.07Å; A6-Y45 WeakPolarHBondContact CB-O 3.21Å; A6-A48 HydrophobicContact CB-CB 3.96Å; A6-A49 HydrophobicContact CB-CB 4.07Å; A6-V86 VanDerWaalsContact CA-O 3.25Å; A6-V86 WeakPolarHBondContact CA-O 3.14Å
7G98.7Very high96.1Very high0 Ų052.3 Ų52.30%029%0.286CS..EExtended strand (participates in β ladder)trans-166.1177.8176.700000113.4P35 V86 Y87 M88G7-P35 WeakPolarHBondContact CA-O 3.38Å; G7-V86 PolarHBondContact N-O 2.82Å; G7-Y87 WeakPolarHBondContact O-CA 3.4Å; G7-M88 PolarHBondContact O-N 3.35Å
8F98.9Very high96.2Very high0 Ų050.4 Ų50.40%028%0.276CS..EExtended strand (participates in β ladder)trans-110.6133.7173-72.8-66.6000110.4I10 P34 P35 L46 A49 I50 T53 Y64 I66 M88 A90F8-I10 HydrophobicContact CB-CD1 4.25Å; F8-I10 HydrophobicContact CB-CG1 3.61Å; F8-I10 PolarHBondContact O-N 2.71Å; F8-P34 WeakPolarHBondContact O-CB 3.48Å; F8-P35 PolarHBondContact N-O 3.2Å; F8-P35 WeakPolarHBondContact O-CD 3.31Å; F8-L46 HydrophobicContact CE1-CD1 4.39Å; F8-L46 HydrophobicContact CZ-CD1 3.73Å; F8-A49 HydrophobicContact CD2-CB 3.92Å; F8-A49 WeakPolarHBondContact CD2-O 3.32Å; F8-A49 HydrophobicContact CE2-CB 3.69Å; F8-A49 HydrophobicContact CG-CB 4.41Å; F8-A49 HydrophobicContact CZ-CB 4.01Å; F8-I50 HydrophobicContact CE2-CG1 3.79Å; F8-I50 HydrophobicContact CZ-CG1 4.09Å; F8-T53 WeakPolarHBondContact CD2-OG1 3.36Å; F8-Y64 HydrophobicContact CD2-CE2 4.33Å; F8-Y64 HydrophobicContact CE2-CE2 4.03Å; F8-I66 HydrophobicContact CE1-CD1 4.43Å; F8-I66 HydrophobicContact CE1-CG1 4.03Å; F8-I66 HydrophobicContact CE1-CG2 4.22Å; F8-I66 HydrophobicContact CZ-CD1 3.91Å; F8-I66 HydrophobicContact CZ-CG1 3.89Å; F8-M88 CarbonylContact C-O 3.49Å; F8-M88 WeakPolarHBondContact CA-O 3.41Å; F8-M88 HydrophobicContact CD1-CB 3.66Å; F8-M88 HydrophobicContact CE1-CB 3.55Å; F8-M88 HydrophobicContact CE1-CE 4.22Å; F8-M88 HydrophobicContact CE1-SD 4.46Å; F8-M88 HydrophobicContact CZ-CE 4.44Å; F8-A90 HydrophobicContact CB-CB 4.28Å; F8-A90 HydrophobicContact CD1-CB 3.95Å; F8-A90 HydrophobicContact CG-CB 4.11Å
9V98.8Very high96.3Very high1 Ų149.8 Ų49.81%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-73.4108.2149.6-178.40000105.9Y20 P34 Y87 M88 L89 A90 L128 L129 V132V9-Y20 HydrophobicContact CG1-CD1 3.72Å; V9-Y20 HydrophobicContact CG1-CE1 4.19Å; V9-P34 HydrophobicContact CG2-CB 4.4Å; V9-P34 HydrophobicContact CG2-CG 4.03Å; V9-Y87 HydrophobicContact CG2-CD1 4.17Å; V9-Y87 HydrophobicContact CG2-CG 4.4Å; V9-M88 PolarHBondContact N-O 3.03Å; V9-L89 HydrophobicContact CB-CD1 4.1Å; V9-L89 HydrophobicContact CG1-CD1 4.21Å; V9-L89 WeakPolarHBondContact O-CD1 3.38Å; V9-A90 PolarHBondContact O-N 3.41Å; V9-L128 HydrophobicContact CG2-CD1 3.9Å; V9-L128 HydrophobicContact CG2-CD2 3.78Å; V9-L128 HydrophobicContact CG2-CG 3.91Å; V9-L129 HydrophobicContact CG1-CD2 4.23Å; V9-V132 HydrophobicContact CB-CG2 4.19Å; V9-V132 HydrophobicContact CG1-CG1 4.28Å; V9-V132 HydrophobicContact CG1-CG2 4.07Å; V9-V132 HydrophobicContact CG2-CG2 4.14Å
10I98.8Very high96.4Very high0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-97.4124.6177.3-51.9179.7000107.7F8 Y20 L21 P35 T53 L59 A90 W110F8-I10 HydrophobicContact CB-CD1 4.25Å; F8-I10 HydrophobicContact CB-CG1 3.61Å; F8-I10 PolarHBondContact O-N 2.71Å; I10-Y20 WeakPolarHBondContact O-CA 3.39Å; I10-L21 HydrophobicContact CB-CB 4.19Å; I10-L21 HydrophobicContact CD1-CD2 4.31Å; I10-L21 PolarHBondContact O-N 2.69Å; I10-P35 HydrophobicContact CD1-CG 3.74Å; I10-P35 HydrophobicContact CG1-CG 4.18Å; I10-T53 HydrophobicContact CD1-CG2 3.4Å; I10-T53 VanDerWaalsContact CD1-CG2 3.4Å; I10-L59 HydrophobicContact CD1-CD1 3.68Å; I10-L59 HydrophobicContact CG2-CD1 4.34Å; I10-A90 WeakPolarHBondContact CA-O 3.44Å; I10-A90 HydrophobicContact CG1-CB 4.46Å; I10-W110 HydrophobicContact CG2-CH2 3.91Å; I10-W110 HydrophobicContact CG2-CZ3 4.47Å
11F98.6Very high96.6Very high0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-121.2161.1175.777.9-83000111.4R13 V18 K19 Y20 I67 L89 A90 E91 L92 L136F11-R13 HydrophobicContact CE2-CG 4.32Å; F11-V18 HydrophobicContact CB-CG1 3.97Å; F11-V18 HydrophobicContact CD2-CG1 3.93Å; F11-V18 HydrophobicContact CG-CG1 4.24Å; F11-K19 CarbonylContact C-O 3.49Å; F11-K19 WeakPolarHBondContact CA-O 3.41Å; F11-Y20 HydrophobicContact CB-CD1 3.8Å; F11-Y20 HydrophobicContact CB-CE1 4.01Å; F11-I67 HydrophobicContact CE1-CG1 3.98Å; F11-I67 HydrophobicContact CZ-CG1 4.41Å; F11-L89 HydrophobicContact CD1-CD1 3.58Å; F11-L89 HydrophobicContact CD1-CG 4.13Å; F11-L89 HydrophobicContact CE1-CD1 3.88Å; F11-L89 HydrophobicContact CE1-CD2 4.26Å; F11-L89 HydrophobicContact CE1-CG 3.91Å; F11-A90 WeakPolarHBondContact CD1-O 3.43Å; F11-A90 PolarHBondContact N-O 2.75Å; F11-E91 HydrophobicContact CD1-CB 4.33Å; F11-E91 HydrophobicContact CD2-CG 4.21Å; F11-E91 HydrophobicContact CE1-CB 3.63Å; F11-E91 HydrophobicContact CE1-CG 4.15Å; F11-E91 HydrophobicContact CE2-CB 4Å; F11-E91 VanDerWaalsContact CE2-CD 3.41Å; F11-E91 HydrophobicContact CE2-CG 3.54Å; F11-E91 WeakPolarHBondContact CE2-OE1 3.5Å; F11-E91 HydrophobicContact CZ-CB 3.43Å; F11-E91 VanDerWaalsContact CZ-CB 3.43Å; F11-E91 VanDerWaalsContact CZ-CD 3.42Å; F11-E91 HydrophobicContact CZ-CG 3.52Å; F11-E91 CarbonylContact O-C 3.59Å; F11-E91 WeakPolarHBondContact O-CA 3.33Å; F11-L92 PolarHBondContact O-N 3.18Å; F11-L136 HydrophobicContact CD1-CD1 4.19Å; F11-L136 HydrophobicContact CD2-CD1 3.99Å; F11-L136 HydrophobicContact CE1-CD1 4.21Å; F11-L136 HydrophobicContact CE1-CD2 3.85Å; F11-L136 HydrophobicContact CE2-CD1 4.01Å; F11-L136 HydrophobicContact CE2-CD2 4.1Å; F11-L136 HydrophobicContact CG-CD1 4.07Å; F11-L136 HydrophobicContact CZ-CD1 4.12Å; F11-L136 HydrophobicContact CZ-CD2 3.54Å
12K98Very high97.2Very high27 Ų2734.2 Ų34.212%0.11719%0.191CC..EExtended strand (participates in β ladder)trans-138.1156168.974.6-171.9-175.5-175.60109.9K19 L92 L95 W110K12-K19 HydrophobicContact CG-CB 4.3Å; K12-K19 PolarHBondContact N-O 3.42Å; K12-K19 PolarHBondContact O-N 3.48Å; K12-L92 HydrophobicContact CB-CB 3.92Å; K12-L92 HydrophobicContact CB-CD2 4.24Å; K12-L92 HydrophobicContact CD-CD2 3.98Å; K12-L95 HydrophobicContact CB-CD2 3.78Å; K12-L95 HydrophobicContact CD-CD2 3.9Å; K12-L95 HydrophobicContact CG-CD2 4.03Å; K12-W110 HydrophobicContact CB-CE3 4.42Å; K12-W110 HydrophobicContact CB-CH2 4.4Å; K12-W110 HydrophobicContact CB-CZ3 4Å; K12-W110 HydrophobicContact CD-CD2 3.64Å; K12-W110 HydrophobicContact CD-CE3 3.61Å; K12-W110 HydrophobicContact CD-CG 4.21Å; K12-W110 HydrophobicContact CD-CH2 4.1Å; K12-W110 HydrophobicContact CD-CZ2 4.14Å; K12-W110 HydrophobicContact CD-CZ3 3.84Å; K12-W110 VanDerWaalsContact CE-CD2 3.46Å; K12-W110 VanDerWaalsContact CE-CG 3.48Å; K12-W110 HydrophobicContact CG-CD2 4.26Å; K12-W110 HydrophobicContact CG-CE3 3.72Å; K12-W110 HydrophobicContact CG-CH2 4.44Å; K12-W110 HydrophobicContact CG-CZ3 3.82Å; K12-W110 VanDerWaalsContact NZ-CD1 3.28Å; K12-W110 VanDerWaalsContact NZ-CG 3.3Å
13R96.9Very high97.4Very high89 Ų8930.9 Ų30.934%0.33617%0.171SC..EExtended strand (participates in β ladder)trans-101.6111.9173.3-62.2178-171.3-86.62.4108.8F11 L17 E91 L95F11-R13 HydrophobicContact CE2-CG 4.32Å; R13-L17 WeakPolarHBondContact CA-O 3.3Å; R13-E91 VanDerWaalsContact CD-OE1 3.32Å; R13-E91 WeakPolarHBondContact CD-OE1 3.43Å; R13-E91 IonicContact NE-OE1 2.69Å; R13-E91 PolarHBondContact NE-OE1 3.37Å; R13-L95 WeakPolarHBondContact O-CD2 3.44Å
14A95.3Very high97.5Very high12 Ų1229.8 Ų29.810%0.09917%0.166CC..EExtended strand (participates in β ladder)trans-141.7136.3-179.400000109.8G16 L17 K19 L95A14-G16 PolarHBondContact O-N 3.3Å; A14-L17 PolarHBondContact N-O 3.23Å; A14-L17 PolarHBondContact O-N 3.16Å; A14-L17 VanDerWaalsContact O-O 3.09Å; A14-K19 HydrophobicContact CB-CD 4.33Å; A14-L95 HydrophobicContact CB-CD1 4.28Å
15D92.8Very high97.4Very high138 Ų13825.2 Ų25.274%0.73815%0.147SC*.THydrogen-bonded Turntrans56.835.5178.8-42-51000113.3L17 K19D15-L17 PolarHBondContact O-N 3.37Å; D15-K19 IonicContact OD2-NZ 2.77Å; D15-K19 PolarHBondContact OD2-NZ 3.32Å
16G92Very high97.3Very high84 Ų8427.6 Ų27.687%0.86616%0.163SC*.THydrogen-bonded Turntrans72.85.9-177.200000114.8A14A14-G16 PolarHBondContact O-N 3.3Å
17L94.8Very high97Very high92 Ų9231.2 Ų31.248%0.48218%0.183SC..EExtended strand (participates in β ladder)trans-117.9147.7-179-62.3175000111.5R13 A14 D15 P112R13-L17 WeakPolarHBondContact CA-O 3.3Å; A14-L17 PolarHBondContact N-O 3.23Å; A14-L17 PolarHBondContact O-N 3.16Å; A14-L17 VanDerWaalsContact O-O 3.09Å; D15-L17 PolarHBondContact O-N 3.37Å; L17-P112 HydrophobicContact CD1-CG 4.43Å
18V97.5Very high96.2Very high19 Ų1942.7 Ų42.712%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-76.3128.8161.8175.80000107.9F11 Y20 L136F11-V18 HydrophobicContact CB-CG1 3.97Å; F11-V18 HydrophobicContact CD2-CG1 3.93Å; F11-V18 HydrophobicContact CG-CG1 4.24Å; V18-Y20 HydrophobicContact CG1-CD1 4.48Å; V18-Y20 HydrophobicContact CG1-CE1 3.82Å; V18-Y20 HydrophobicContact CG1-CE2 4.21Å; V18-L136 HydrophobicContact CG1-CD1 3.9Å; V18-L136 HydrophobicContact CG2-CD1 4.3Å
19K98.6Very high95.6Very high39 Ų3948.2 Ų48.217%0.1726%0.256CS..EExtended strand (participates in β ladder)trans-124136.1174.7-57.9-177-169.6175.10109.6F11 K12 A14 D15 W110 C111F11-K19 CarbonylContact C-O 3.49Å; F11-K19 WeakPolarHBondContact CA-O 3.41Å; K12-K19 HydrophobicContact CG-CB 4.3Å; K12-K19 PolarHBondContact N-O 3.42Å; K12-K19 PolarHBondContact O-N 3.48Å; A14-K19 HydrophobicContact CB-CD 4.33Å; D15-K19 IonicContact OD2-NZ 2.77Å; D15-K19 PolarHBondContact OD2-NZ 3.32Å; K19-W110 HydrophobicContact CB-CB 4.32Å; K19-C111 CarbonylContact C-O 3.57Å; K19-C111 VanDerWaalsContact CA-O 3.26Å; K19-C111 WeakPolarHBondContact CA-O 3.42Å
20Y98.7Very high95.4Very high0 Ų052.2 Ų52.20%027%0.274CS..EExtended strand (participates in β ladder)trans-103.2138.6-178.2-54.9-76.6000111.3V9 I10 F11 V18 L22 W110 C111 L113 A116 L129 V132 E133V9-Y20 HydrophobicContact CG1-CD1 3.72Å; V9-Y20 HydrophobicContact CG1-CE1 4.19Å; I10-Y20 WeakPolarHBondContact O-CA 3.39Å; F11-Y20 HydrophobicContact CB-CD1 3.8Å; F11-Y20 HydrophobicContact CB-CE1 4.01Å; V18-Y20 HydrophobicContact CG1-CD1 4.48Å; V18-Y20 HydrophobicContact CG1-CE1 3.82Å; V18-Y20 HydrophobicContact CG1-CE2 4.21Å; Y20-L22 PolarHBondContact O-N 2.9Å; Y20-W110 WeakPolarHBondContact O-CA 3.26Å; Y20-C111 PolarHBondContact N-O 3.1Å; Y20-C111 PolarHBondContact O-N 3.32Å; Y20-L113 HydrophobicContact CE2-CB 4.13Å; Y20-L113 HydrophobicContact CE2-CD1 4.04Å; Y20-A116 HydrophobicContact CD2-CB 4.03Å; Y20-L129 HydrophobicContact CD1-CD2 4.24Å; Y20-L129 HydrophobicContact CD2-CD2 4.39Å; Y20-L129 HydrophobicContact CG-CD2 4.09Å; Y20-V132 HydrophobicContact CE1-CB 4.35Å; Y20-V132 HydrophobicContact CE1-CG1 3.64Å; Y20-E133 PolarHBondContact OH-OE2 3.22Å
21L98.8Very high95.2Very high1 Ų154.6 Ų54.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-76.5120.3170.3-17860.3000109.5I10 L23 L59 V99 F108 E109 W110I10-L21 HydrophobicContact CB-CB 4.19Å; I10-L21 HydrophobicContact CD1-CD2 4.31Å; I10-L21 PolarHBondContact O-N 2.69Å; L21-L23 HydrophobicContact CD1-CD2 3.84Å; L21-L23 HydrophobicContact CD2-CD2 4.2Å; L21-L23 HydrophobicContact CG-CD2 3.86Å; L21-L59 HydrophobicContact CD2-CD1 3.77Å; L21-V99 HydrophobicContact CD1-CG2 4.04Å; L21-V99 HydrophobicContact CD2-CG2 4.28Å; L21-F108 HydrophobicContact CD1-CB 4.17Å; L21-F108 HydrophobicContact CD1-CD2 3.97Å; L21-F108 HydrophobicContact CD1-CG 4.45Å; L21-E109 WeakPolarHBondContact CA-O 3.35Å; L21-W110 HydrophobicContact CB-CD2 4.29Å; L21-W110 HydrophobicContact CB-CE3 3.98Å; L21-W110 HydrophobicContact CB-CH2 3.68Å; L21-W110 HydrophobicContact CB-CZ2 3.97Å; L21-W110 HydrophobicContact CB-CZ3 3.67Å; L21-W110 HydrophobicContact CD1-CD2 4.32Å; L21-W110 HydrophobicContact CD1-CZ2 4.08Å; L21-W110 HydrophobicContact CD2-CH2 4.41Å; L21-W110 HydrophobicContact CD2-CZ2 4.23Å; L21-W110 HydrophobicContact CG-CH2 4.47Å; L21-W110 HydrophobicContact CG-CZ2 4.33Å
22L98.8Very high95.1Very high0 Ų055.8 Ų55.80%029%0.289CS..EExtended strand (participates in β ladder)trans-121.3137.1169.7-61.5178.7000109.4Y20 W32 P34 F108 E109 A116 L119 V120Y20-L22 PolarHBondContact O-N 2.9Å; L22-W32 HydrophobicContact CB-CE3 3.85Å; L22-P34 HydrophobicContact CD2-CG 4.04Å; L22-F108 CarbonylContact O-C 3.54Å; L22-F108 WeakPolarHBondContact O-CA 3.42Å; L22-E109 PolarHBondContact N-O 3.28Å; L22-E109 PolarHBondContact O-N 3.12Å; L22-A116 HydrophobicContact CD1-CB 3.87Å; L22-L119 HydrophobicContact CD1-CB 3.95Å; L22-L119 HydrophobicContact CD1-CD1 4.08Å; L22-V120 HydrophobicContact CD1-CG1 3.77Å; L22-V120 HydrophobicContact CD2-CG1 3.78Å; L22-V120 HydrophobicContact CG-CG1 4.44Å
23L98.6Very high95.1Very high0 Ų055.2 Ų55.20%029%0.288CS..EExtended strand (participates in β ladder)trans-110.4137.5176.8-45.4-174.3000108.8L21 W32 T33 P35 E56 L101 H105 F108L21-L23 HydrophobicContact CD1-CD2 3.84Å; L21-L23 HydrophobicContact CD2-CD2 4.2Å; L21-L23 HydrophobicContact CG-CD2 3.86Å; L23-W32 WeakPolarHBondContact O-CA 3.39Å; L23-T33 PolarHBondContact N-O 3.21Å; L23-T33 PolarHBondContact O-N 2.86Å; L23-P35 HydrophobicContact CD1-CB 3.93Å; L23-E56 HydrophobicContact CD1-CB 3.67Å; L23-L101 HydrophobicContact CD1-CD2 4.45Å; L23-L101 HydrophobicContact CD2-CD2 3.76Å; L23-H105 HydrophobicContact CB-CB 4.36Å; L23-H105 WeakPolarHBondContact CB-CD2 3.37Å; L23-F108 HydrophobicContact CD2-CB 3.64Å
24Q98.2Very high95.2Very high23 Ų2351 Ų5111%0.10727%0.273CS..EExtended strand (participates in β ladder)trans-95.5120.8175.9-168.1175.441.300110.3H30 H31 W32 H105 Q106 K107Q24-H30 HydrophobicContact CG-CB 4.25Å; Q24-H30 WeakPolarHBondContact CG-O 3.49Å; Q24-H30 PolarHBondContact NE2-O 2.8Å; Q24-H31 WeakPolarHBondContact CA-O 3.29Å; Q24-W32 HydrophobicContact CB-CD2 3.72Å; Q24-W32 HydrophobicContact CB-CE3 3.82Å; Q24-W32 HydrophobicContact CB-CG 4.46Å; Q24-W32 HydrophobicContact CB-CH2 3.72Å; Q24-W32 HydrophobicContact CB-CZ2 3.58Å; Q24-W32 HydrophobicContact CB-CZ3 3.83Å; Q24-W32 HydrophobicContact CG-CD2 4.08Å; Q24-W32 HydrophobicContact CG-CG 4.46Å; Q24-W32 HydrophobicContact CG-CZ2 3.88Å; Q24-W32 VanDerWaalsContact NE2-NE1 3.12Å; Q24-H105 CarbonylContact O-C 3.52Å; Q24-H105 VanDerWaalsContact O-CA 3.23Å; Q24-H105 WeakPolarHBondContact O-CA 3.04Å; Q24-H105 WeakPolarHBondContact O-CB 3.33Å; Q24-Q106 HydrophobicContact CB-CG 4.37Å; Q24-Q106 HydrophobicContact CG-CG 4.37Å; Q24-Q106 PolarHBondContact O-N 2.94Å; Q24-K107 HydrophobicContact CB-CB 4Å; Q24-K107 PolarHBondContact N-O 2.82Å
25A96.3Very high95.3Very high5 Ų550.5 Ų50.54%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-59.8143.8176.500000111.8D27 H30 H31 Q106A25-D27 VanDerWaalsContact C-N 3.28Å; A25-H30 WeakPolarHBondContact O-CA 3.47Å; A25-H30 PolarHBondContact O-ND1 2.89Å; A25-H31 WeakPolarHBondContact CB-CE1 3.4Å; A25-H31 WeakPolarHBondContact CB-ND1 2.98Å; A25-H31 PolarHBondContact N-O 3.28Å; A25-Q106 PolarHBondContact O-NE2 2.97Å; A25-Q106 VanDerWaalsContact O-NE2 3.12Å
26S96.4Very high95.6Very high50 Ų5044.7 Ų44.735%0.3524%0.236SC..SBendtrans-78.6-12.8174.4-64.60000112.8H103 E104 H105 Q106S26-H103 WeakPolarHBondContact CB-O 3.45Å; S26-H103 PolarHBondContact OG-O 3.43Å; S26-E104 WeakPolarHBondContact CB-O 3.45Å; S26-E104 PolarHBondContact N-O 3.43Å; S26-E104 PolarHBondContact OG-O 3.43Å; S26-H105 WeakPolarHBondContact OG-CA 3.34Å; S26-H105 PolarHBondContact OG-N 3.29Å; S26-H105 PolarHBondContact OG-O 3.4Å; S26-Q106 PolarHBondContact OG-N 3.48Å
27D91.1Very high95.8Very high75 Ų7541.2 Ų41.240%0.40120%0.2SC..SBendtrans-66.1170.6175.870.222.2000112.8A25 D29 H30 H31A25-D27 VanDerWaalsContact C-N 3.28Å; D27-D29 PolarHBondContact O-N 2.96Å; D27-D29 VanDerWaalsContact O-N 3.1Å; D27-D29 PolarHBondContact OD1-N 3.23Å; D27-D29 VanDerWaalsContact OD1-N 3.11Å; D27-H30 PolarHBondContact O-CE1 3.25Å; D27-H30 PolarHBondContact O-N 2.98Å; D27-H30 VanDerWaalsContact O-N 3.13Å; D27-H30 PolarHBondContact O-ND1 2.87Å; D27-H30 PolarHBondContact OD1-N 2.88Å; D27-H31 IonicContact OD1-ND1 3.04Å; D27-H31 IonicContact OD2-CE1 2.63Å; D27-H31 PolarHBondContact OD2-CE1 3.49Å; D27-H31 IonicContact OD2-ND1 3.81Å
28R82.5Confident96Very high242 Ų24243.7 Ų43.791%0.91320%0.203SC*.THydrogen-bonded Turntrans-61.8-21.6-174.6-68-174.7178.5-179.30114.5H30R28-H30 VanDerWaalsContact C-N 3.34Å
29D87.3Confident96Very high116 Ų11644.7 Ų44.762%0.6221%0.207SC*.THydrogen-bonded Turntrans-83.8-18.5-176.8-66.5-20.4000111.5D27 H31D27-D29 PolarHBondContact O-N 2.96Å; D27-D29 VanDerWaalsContact O-N 3.1Å; D27-D29 PolarHBondContact OD1-N 3.23Å; D27-D29 VanDerWaalsContact OD1-N 3.11Å; D29-H31 PolarHBondContact O-N 3.46Å
30H93.6Very high96Very high84 Ų8447.2 Ų47.239%0.38922%0.223SC..  trans48.737.7176-65-29.3000112.6Q24 A25 D27 R28 Q106Q24-H30 HydrophobicContact CG-CB 4.25Å; Q24-H30 WeakPolarHBondContact CG-O 3.49Å; Q24-H30 PolarHBondContact NE2-O 2.8Å; A25-H30 WeakPolarHBondContact O-CA 3.47Å; A25-H30 PolarHBondContact O-ND1 2.89Å; D27-H30 PolarHBondContact O-CE1 3.25Å; D27-H30 PolarHBondContact O-N 2.98Å; D27-H30 VanDerWaalsContact O-N 3.13Å; D27-H30 PolarHBondContact O-ND1 2.87Å; D27-H30 PolarHBondContact OD1-N 2.88Å; R28-H30 VanDerWaalsContact C-N 3.34Å; H30-Q106 PolarHBondContact CE1-NE2 2.88Å; H30-Q106 PolarHBondContact ND1-NE2 2.94Å
31H94.3Very high95.8Very high51 Ų5156.9 Ų56.924%0.23627%0.268CS..  trans-73.8146.9-174.266.1-85.3000110.6Q24 A25 D27 D29 Y122Q24-H31 WeakPolarHBondContact CA-O 3.29Å; A25-H31 WeakPolarHBondContact CB-CE1 3.4Å; A25-H31 WeakPolarHBondContact CB-ND1 2.98Å; A25-H31 PolarHBondContact N-O 3.28Å; D27-H31 IonicContact OD1-ND1 3.04Å; D27-H31 IonicContact OD2-CE1 2.63Å; D27-H31 PolarHBondContact OD2-CE1 3.49Å; D27-H31 IonicContact OD2-ND1 3.81Å; D29-H31 PolarHBondContact O-N 3.46Å; H31-Y122 HydrophobicContact CB-CE2 4.43Å
32W97.9Very high95.8Very high24 Ų2460.6 Ų60.69%0.09131%0.307CS..EExtended strand (participates in β ladder)trans-103.1127.7178.5-68.684.7000110.2L22 L23 Q24 K107 E109 L119 V120L22-W32 HydrophobicContact CB-CE3 3.85Å; L23-W32 WeakPolarHBondContact O-CA 3.39Å; Q24-W32 HydrophobicContact CB-CD2 3.72Å; Q24-W32 HydrophobicContact CB-CE3 3.82Å; Q24-W32 HydrophobicContact CB-CG 4.46Å; Q24-W32 HydrophobicContact CB-CH2 3.72Å; Q24-W32 HydrophobicContact CB-CZ2 3.58Å; Q24-W32 HydrophobicContact CB-CZ3 3.83Å; Q24-W32 HydrophobicContact CG-CD2 4.08Å; Q24-W32 HydrophobicContact CG-CG 4.46Å; Q24-W32 HydrophobicContact CG-CZ2 3.88Å; Q24-W32 VanDerWaalsContact NE2-NE1 3.12Å; W32-K107 HydrophobicContact CH2-CB 3.72Å; W32-K107 HydrophobicContact CZ2-CB 4.31Å; W32-K107 HydrophobicContact CZ3-CB 4.47Å; W32-E109 HydrophobicContact CH2-CB 4.39Å; W32-E109 HydrophobicContact CH2-CG 3.65Å; W32-E109 HydrophobicContact CZ3-CB 4.02Å; W32-E109 HydrophobicContact CZ3-CG 3.8Å; W32-L119 HydrophobicContact CB-CB 4.07Å; W32-L119 HydrophobicContact CD2-CB 4.36Å; W32-L119 HydrophobicContact CD2-CD1 4.31Å; W32-L119 HydrophobicContact CD2-CD2 4.38Å; W32-L119 HydrophobicContact CE3-CD1 4.33Å; W32-L119 HydrophobicContact CG-CB 3.96Å; W32-L119 HydrophobicContact CG-CD2 4.49Å; W32-L119 HydrophobicContact CZ2-CD2 4.47Å; W32-V120 WeakPolarHBondContact O-CG1 3.39Å
33T97.4Very high95.8Very high15 Ų1562.8 Ų62.89%0.09232%0.317CS..EExtended strand (participates in β ladder)trans-143.1158.7173.653.90000111.3L23L23-T33 PolarHBondContact N-O 3.21Å; L23-T33 PolarHBondContact O-N 2.86Å
34P98.4Very high95.7Very high2 Ų266.3 Ų66.31%0.01334%0.339CS..SBendtrans-58.4156.7157.6-12.425.9000110.4F8 V9 L22 K36 Y87 L128F8-P34 WeakPolarHBondContact O-CB 3.48Å; V9-P34 HydrophobicContact CG2-CB 4.4Å; V9-P34 HydrophobicContact CG2-CG 4.03Å; L22-P34 HydrophobicContact CD2-CG 4.04Å; P34-K36 VanDerWaalsContact O-CG 3.27Å; P34-K36 WeakPolarHBondContact O-CG 3.42Å; P34-K36 PolarHBondContact O-N 2.81Å; P34-Y87 HydrophobicContact CB-CD1 4.4Å; P34-Y87 HydrophobicContact CB-CE1 3.84Å; P34-Y87 HydrophobicContact CG-CE1 3.97Å; P34-L128 HydrophobicContact CG-CD2 4.39Å
35P98.4Very high95.8Very high0 Ų067.3 Ų67.30%034%0.342CS..SBendtrans-59.6132.7-178.723.2-33.1000111.7G7 F8 I10 L23 T53 E56G7-P35 WeakPolarHBondContact CA-O 3.38Å; F8-P35 PolarHBondContact N-O 3.2Å; F8-P35 WeakPolarHBondContact O-CD 3.31Å; I10-P35 HydrophobicContact CD1-CG 3.74Å; I10-P35 HydrophobicContact CG1-CG 4.18Å; L23-P35 HydrophobicContact CD1-CB 3.93Å; P35-T53 HydrophobicContact CG-CG2 4.49Å; P35-E56 WeakPolarHBondContact CA-OE2 3.14Å; P35-E56 HydrophobicContact CB-CB 4.4Å; P35-E56 WeakPolarHBondContact CB-OE2 3.37Å
36K98.1Very high95.9Very high17 Ų1770.4 Ų70.47%0.07436%0.357CS..EExtended strand (participates in β ladder)trans-173.5134.6-175.953.9121.4-160.759.60113.1A6 P34 E56 V85 Y87A6-K36 VanDerWaalsContact O-CA 3.23Å; A6-K36 WeakPolarHBondContact O-CA 3.29Å; A6-K36 WeakPolarHBondContact O-CB 3.37Å; P34-K36 VanDerWaalsContact O-CG 3.27Å; P34-K36 WeakPolarHBondContact O-CG 3.42Å; P34-K36 PolarHBondContact O-N 2.81Å; K36-E56 PolarHBondContact N-OE2 2.88Å; K36-E56 VanDerWaalsContact O-OE1 3.06Å; K36-V85 HydrophobicContact CB-CG1 4.49Å; K36-V85 HydrophobicContact CD-CG1 4.06Å; K36-Y87 HydrophobicContact CB-CE1 3.98Å; K36-Y87 WeakPolarHBondContact CD-OH 3.19Å; K36-Y87 HydrophobicContact CG-CE1 4.03Å; K36-Y87 VanDerWaalsContact CG-OH 3.23Å; K36-Y87 WeakPolarHBondContact CG-OH 3.48Å
37G97.4Very high96Very high10 Ų1071.6 Ų71.610%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-145.1-166.8170.200000113A5 A6 E52A5-G37 CarbonylContact C-O 3.44Å; A5-G37 WeakPolarHBondContact CA-O 3.41Å; A5-G37 WeakPolarHBondContact CB-O 3.21Å; A6-G37 PolarHBondContact N-O 3.01Å; A6-G37 PolarHBondContact O-N 3.28Å; G37-E52 VanDerWaalsContact C-OE1 3.27Å; G37-E52 VanDerWaalsContact CA-OE1 3.27Å; G37-E52 WeakPolarHBondContact CA-OE1 3.34Å; G37-E52 WeakPolarHBondContact CA-OE2 3.16Å
38R97.5Very high96.3Very high145 Ų14568 Ų6855%0.54734%0.341SS..EExtended strand (participates in β ladder)trans-77151.8-165.9-71.5176.2175.7159.5-5.7110.3E3 K4 R51 E52E3-R38 HydrophobicContact CG-CG 4.16Å; E3-R38 IonicContact OE1-CZ 3.88Å; E3-R38 IonicContact OE1-NE 2.72Å; E3-R38 PolarHBondContact OE1-NE 3.31Å; E3-R38 VanDerWaalsContact OE1-NE 3.08Å; E3-R38 IonicContact OE1-NH2 3.22Å; E3-R38 IonicContact OE2-CZ 3.51Å; E3-R38 VanDerWaalsContact OE2-CZ 3.22Å; E3-R38 IonicContact OE2-NE 3.58Å; E3-R38 PolarHBondContact OE2-NE 3.11Å; E3-R38 IonicContact OE2-NH2 3.67Å; E3-R38 PolarHBondContact OE2-NH2 3.29Å; K4-R38 WeakPolarHBondContact O-CA 3.38Å; R38-R51 PolarHBondContact O-NH2 3.38Å; R38-E52 PolarHBondContact N-OE1 2.96Å; R38-E52 VanDerWaalsContact N-OE1 3.1Å
39L98.3Very high97.1Very high39 Ų3956.5 Ų56.520%0.20430%0.297CS..PPolyproline II helixtrans-73.7131.1166-8167.5000108.8K4 A5 A6 Y45 A48K4-L39 HydrophobicContact CB-CD1 4.05Å; K4-L39 HydrophobicContact CB-CD2 4.28Å; K4-L39 PolarHBondContact O-N 3.27Å; A5-L39 VanDerWaalsContact C-CD1 3.42Å; A6-L39 HydrophobicContact CB-CD1 4.01Å; L39-Y45 HydrophobicContact CD1-CD1 3.83Å; L39-Y45 HydrophobicContact CD1-CE1 4.12Å; L39-Y45 HydrophobicContact CD2-CD1 3.94Å; L39-Y45 HydrophobicContact CD2-CE1 4.01Å; L39-Y45 HydrophobicContact CD2-CG 4.31Å; L39-Y45 HydrophobicContact CG-CD1 4.48Å; L39-A48 HydrophobicContact CD1-CB 3.97Å; L39-A48 HydrophobicContact CG-CB 3.85Å
40D97.6Very high97.6Very high92 Ų9253 Ų5349%0.49228%0.278SS..PPolyproline II helixtrans-82.9169.7165.9-70.7-25.9000111.1G42 E43 R51D40-G42 PolarHBondContact O-N 3.46Å; D40-E43 HydrophobicContact CB-CG 4.04Å; D40-E43 PolarHBondContact N-OE2 3.04Å; D40-E43 PolarHBondContact O-N 3.01Å; D40-R51 IonicContact OD2-CZ 3.51Å; D40-R51 IonicContact OD2-NE 3.54Å; D40-R51 IonicContact OD2-NH2 2.78Å
41E96.2Very high97.9Very high203 Ų20351.1 Ų51.195%0.94927%0.268SS*.THydrogen-bonded Turntrans-60.5124.4-179.8-172.7175.7176.800111.2E43E41-E43 VanDerWaalsContact C-N 3.32Å; E41-E43 PolarHBondContact O-N 2.63Å
42G97.3Very high98.1Very high80 Ų8049.4 Ų49.483%0.82526%0.26SS*.THydrogen-bonded Turntrans85.6-5.6178.500000115.1D40D40-G42 PolarHBondContact O-N 3.46Å
43E98.2Very high98.1Very high45 Ų4548.2 Ų48.221%0.2126%0.255CS..  trans-74.4140.5178.4-69.2-169.4140.500112.6D40 E41 D47 A48 R51D40-E43 HydrophobicContact CB-CG 4.04Å; D40-E43 PolarHBondContact N-OE2 3.04Å; D40-E43 PolarHBondContact O-N 3.01Å; E41-E43 VanDerWaalsContact C-N 3.32Å; E41-E43 PolarHBondContact O-N 2.63Å; E43-D47 HydrophobicContact CB-CB 4.18Å; E43-D47 HydrophobicContact CG-CB 4.29Å; E43-A48 WeakPolarHBondContact OE2-CB 3.49Å; E43-R51 IonicContact OE1-CZ 3.33Å; E43-R51 IonicContact OE1-NE 3.6Å; E43-R51 PolarHBondContact OE1-NE 3.16Å; E43-R51 IonicContact OE1-NH2 3.44Å; E43-R51 IonicContact OE2-CZ 2.72Å; E43-R51 IonicContact OE2-NE 3.61Å; E43-R51 IonicContact OE2-NH2 3.53Å; E43-R51 PolarHBondContact OE2-NH2 2.99Å
44T98.2Very high98.2Very high75 Ų7553.2 Ų53.246%0.4628%0.276SS..  trans-76.6164.5159.372.50000110L46 D47 A48T44-L46 PolarHBondContact O-N 3.36Å; T44-L46 PolarHBondContact OG1-N 2.82Å; T44-D47 VanDerWaalsContact CB-OD2 3.29Å; T44-D47 WeakPolarHBondContact CB-OD2 3.4Å; T44-D47 WeakPolarHBondContact CG2-OD2 3.41Å; T44-D47 PolarHBondContact N-OD2 3.03Å; T44-D47 PolarHBondContact O-N 3.49Å; T44-D47 PolarHBondContact OG1-N 3.35Å; T44-D47 PolarHBondContact OG1-OD2 2.88Å; T44-A48 PolarHBondContact O-N 3.35Å; T44-A48 VanDerWaalsContact O-N 3.12Å
45Y98.5Very high98.2Very high44 Ų4457.8 Ų57.817%0.17330%0.297CS..Hα-helixtrans-57.9-31.6172.3-66-81.8000112.1K4 A6 L39 A49 E84 V86 M88K4-Y45 HydrophobicContact CB-CE1 4.46Å; K4-Y45 HydrophobicContact CD-CE1 4.5Å; K4-Y45 WeakPolarHBondContact CD-OH 3.3Å; K4-Y45 WeakPolarHBondContact CE-OH 3.39Å; K4-Y45 PolarHBondContact NZ-OH 3.05Å; A6-Y45 HydrophobicContact CB-CD1 4.07Å; A6-Y45 WeakPolarHBondContact CB-O 3.21Å; L39-Y45 HydrophobicContact CD1-CD1 3.83Å; L39-Y45 HydrophobicContact CD1-CE1 4.12Å; L39-Y45 HydrophobicContact CD2-CD1 3.94Å; L39-Y45 HydrophobicContact CD2-CE1 4.01Å; L39-Y45 HydrophobicContact CD2-CG 4.31Å; L39-Y45 HydrophobicContact CG-CD1 4.48Å; Y45-A49 WeakPolarHBondContact O-CB 3.45Å; Y45-A49 PolarHBondContact O-N 3.21Å; Y45-E84 PolarHBondContact OH-OE1 2.76Å; Y45-V86 HydrophobicContact CD1-CB 3.58Å; Y45-V86 HydrophobicContact CD1-CG1 4.41Å; Y45-V86 HydrophobicContact CD1-CG2 3.38Å; Y45-V86 HydrophobicContact CD2-CG2 4.39Å; Y45-V86 HydrophobicContact CE1-CB 4.05Å; Y45-V86 HydrophobicContact CE1-CG2 3.33Å; Y45-V86 HydrophobicContact CE2-CG2 4.36Å; Y45-V86 HydrophobicContact CG-CB 4.04Å; Y45-V86 HydrophobicContact CG-CG1 4.4Å; Y45-V86 HydrophobicContact CG-CG2 3.95Å; Y45-M88 WeakPolarHBondContact O-CE 3.18Å
46L98.5Very high98.2Very high69 Ų6958 Ų5836%0.36130%0.298SS..Hα-helixtrans-69.9-43.9178.2178.758.5000111.7F8 T44 A49 I50 I66 M88F8-L46 HydrophobicContact CE1-CD1 4.39Å; F8-L46 HydrophobicContact CZ-CD1 3.73Å; T44-L46 PolarHBondContact O-N 3.36Å; T44-L46 PolarHBondContact OG1-N 2.82Å; L46-A49 PolarHBondContact O-N 3.24Å; L46-I50 HydrophobicContact CD1-CD1 3.89Å; L46-I50 HydrophobicContact CD1-CG1 4.16Å; L46-I50 HydrophobicContact CG-CD1 3.95Å; L46-I50 WeakPolarHBondContact O-CG1 3.46Å; L46-I50 PolarHBondContact O-N 3.25Å; L46-I66 HydrophobicContact CD1-CD1 3.86Å; L46-M88 HydrophobicContact CB-SD 4.37Å; L46-M88 HydrophobicContact CD1-CE 4.39Å; L46-M88 HydrophobicContact CD1-SD 4.07Å
47D98.6Very high98.2Very high75 Ų7557.2 Ų57.240%0.40129%0.294SS..Hα-helixtrans-60-49.9178.3-56.5-46.2000110.5E43 T44 A49 I50 R51E43-D47 HydrophobicContact CB-CB 4.18Å; E43-D47 HydrophobicContact CG-CB 4.29Å; T44-D47 VanDerWaalsContact CB-OD2 3.29Å; T44-D47 WeakPolarHBondContact CB-OD2 3.4Å; T44-D47 WeakPolarHBondContact CG2-OD2 3.41Å; T44-D47 PolarHBondContact N-OD2 3.03Å; T44-D47 PolarHBondContact O-N 3.49Å; T44-D47 PolarHBondContact OG1-N 3.35Å; T44-D47 PolarHBondContact OG1-OD2 2.88Å; D47-A49 PolarHBondContact O-N 3.49Å; D47-I50 PolarHBondContact O-N 3.08Å; D47-R51 PolarHBondContact O-N 2.85Å
48A98.7Very high98.3Very high0 Ų058.2 Ų58.20%031%0.305CS..Hα-helixtrans-58.7-46.1176.800000111.7A6 L39 E43 T44 I50 R51 E52A6-A48 HydrophobicContact CB-CB 3.96Å; L39-A48 HydrophobicContact CD1-CB 3.97Å; L39-A48 HydrophobicContact CG-CB 3.85Å; E43-A48 WeakPolarHBondContact OE2-CB 3.49Å; T44-A48 PolarHBondContact O-N 3.35Å; T44-A48 VanDerWaalsContact O-N 3.12Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 3.2Å; A48-R51 PolarHBondContact O-N 2.87Å; A48-E52 WeakPolarHBondContact O-CB 3.47Å; A48-E52 WeakPolarHBondContact O-CG 3.35Å; A48-E52 PolarHBondContact O-N 2.9Å
49A98.7Very high98.3Very high0 Ų051.3 Ų51.30%028%0.279CS..Hα-helixtrans-62.5-37179.400000113.2A6 F8 Y45 L46 D47 T53 M88A6-A49 HydrophobicContact CB-CB 4.07Å; F8-A49 HydrophobicContact CD2-CB 3.92Å; F8-A49 WeakPolarHBondContact CD2-O 3.32Å; F8-A49 HydrophobicContact CE2-CB 3.69Å; F8-A49 HydrophobicContact CG-CB 4.41Å; F8-A49 HydrophobicContact CZ-CB 4.01Å; Y45-A49 WeakPolarHBondContact O-CB 3.45Å; Y45-A49 PolarHBondContact O-N 3.21Å; L46-A49 PolarHBondContact O-N 3.24Å; D47-A49 PolarHBondContact O-N 3.49Å; A49-T53 WeakPolarHBondContact O-CB 3.45Å; A49-T53 PolarHBondContact O-N 2.97Å; A49-T53 VanDerWaalsContact O-N 3.09Å; A49-T53 PolarHBondContact O-OG1 2.71Å; A49-M88 HydrophobicContact CB-CE 3.28Å
50I98.7Very high98.3Very high43 Ų4354.6 Ų54.622%0.22129%0.293CS..Hα-helixtrans-67.9-48.4176.3-69.1167.7000110.4F8 L46 D47 A48 K54 I66F8-I50 HydrophobicContact CE2-CG1 3.79Å; F8-I50 HydrophobicContact CZ-CG1 4.09Å; L46-I50 HydrophobicContact CD1-CD1 3.89Å; L46-I50 HydrophobicContact CD1-CG1 4.16Å; L46-I50 HydrophobicContact CG-CD1 3.95Å; L46-I50 WeakPolarHBondContact O-CG1 3.46Å; L46-I50 PolarHBondContact O-N 3.25Å; D47-I50 PolarHBondContact O-N 3.08Å; A48-I50 VanDerWaalsContact C-N 3.32Å; A48-I50 PolarHBondContact O-N 3.2Å; I50-K54 PolarHBondContact O-N 3.37Å; I50-I66 HydrophobicContact CD1-CD1 4.46Å
51R98.7Very high98.3Very high45 Ų4555.6 Ų55.617%0.1729%0.29CS..Hα-helixtrans-61-53.5179.3177.2179.453.368.62.5111.1R38 D40 E43 D47 A48 T53 K54 E55R38-R51 PolarHBondContact O-NH2 3.38Å; D40-R51 IonicContact OD2-CZ 3.51Å; D40-R51 IonicContact OD2-NE 3.54Å; D40-R51 IonicContact OD2-NH2 2.78Å; E43-R51 IonicContact OE1-CZ 3.33Å; E43-R51 IonicContact OE1-NE 3.6Å; E43-R51 PolarHBondContact OE1-NE 3.16Å; E43-R51 IonicContact OE1-NH2 3.44Å; E43-R51 IonicContact OE2-CZ 2.72Å; E43-R51 IonicContact OE2-NE 3.61Å; E43-R51 IonicContact OE2-NH2 3.53Å; E43-R51 PolarHBondContact OE2-NH2 2.99Å; D47-R51 PolarHBondContact O-N 2.85Å; A48-R51 PolarHBondContact O-N 2.87Å; R51-T53 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 3.49Å; R51-K54 WeakPolarHBondContact O-CB 3.33Å; R51-K54 PolarHBondContact O-N 3.07Å; R51-E55 WeakPolarHBondContact CD-OE1 3.31Å; R51-E55 HydrophobicContact CG-CG 4.26Å; R51-E55 WeakPolarHBondContact CG-OE1 3.39Å; R51-E55 IonicContact NH1-OE1 2.76Å; R51-E55 IonicContact NH1-OE2 3.03Å; R51-E55 PolarHBondContact NH1-OE2 2.89Å; R51-E55 WeakPolarHBondContact O-CG 3.46Å; R51-E55 PolarHBondContact O-N 3.04Å
52E98.6Very high98.4Very high14 Ų1451.8 Ų51.87%0.06528%0.276CS..Hα-helixtrans-63.9-36.6-176.8-67.2-73-177.300112G37 R38 A48 K54 E55 E56G37-E52 VanDerWaalsContact C-OE1 3.27Å; G37-E52 VanDerWaalsContact CA-OE1 3.27Å; G37-E52 WeakPolarHBondContact CA-OE1 3.34Å; G37-E52 WeakPolarHBondContact CA-OE2 3.16Å; R38-E52 PolarHBondContact N-OE1 2.96Å; R38-E52 VanDerWaalsContact N-OE1 3.1Å; A48-E52 WeakPolarHBondContact O-CB 3.47Å; A48-E52 WeakPolarHBondContact O-CG 3.35Å; A48-E52 PolarHBondContact O-N 2.9Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 3.17Å; E52-E55 PolarHBondContact O-N 3.47Å; E52-E56 WeakPolarHBondContact O-CB 3.25Å; E52-E56 WeakPolarHBondContact O-CG 3.3Å; E52-E56 PolarHBondContact O-N 3.36Å
53T98.8Very high98.5Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-60.9-44172.8-690000111.9F8 I10 P35 A49 R51 S57 L59 Y64F8-T53 WeakPolarHBondContact CD2-OG1 3.36Å; I10-T53 HydrophobicContact CD1-CG2 3.4Å; I10-T53 VanDerWaalsContact CD1-CG2 3.4Å; P35-T53 HydrophobicContact CG-CG2 4.49Å; A49-T53 WeakPolarHBondContact O-CB 3.45Å; A49-T53 PolarHBondContact O-N 2.97Å; A49-T53 VanDerWaalsContact O-N 3.09Å; A49-T53 PolarHBondContact O-OG1 2.71Å; R51-T53 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 3.49Å; T53-S57 WeakPolarHBondContact O-CB 3.44Å; T53-S57 PolarHBondContact O-N 3.4Å; T53-S57 VanDerWaalsContact O-N 3.09Å; T53-S57 PolarHBondContact O-OG 2.9Å; T53-L59 HydrophobicContact CG2-CB 4.03Å; T53-Y64 HydrophobicContact CG2-CE1 3.77Å
54K98.7Very high98.5Very high120 Ų12047.7 Ų47.752%0.52224%0.236SC..Hα-helixtrans-65.7-46176.8-177.6-175.4177.4-178.30110.9I50 R51 E52 G58 L59I50-K54 PolarHBondContact O-N 3.37Å; R51-K54 WeakPolarHBondContact O-CB 3.33Å; R51-K54 PolarHBondContact O-N 3.07Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 3.17Å; K54-G58 VanDerWaalsContact O-CA 3.23Å; K54-G58 WeakPolarHBondContact O-CA 3.35Å; K54-G58 PolarHBondContact O-N 2.92Å; K54-L59 WeakPolarHBondContact CA-O 3.41Å
55E98.4Very high98.5Very high97 Ų9748.8 Ų48.845%0.45324%0.238SC..Hα-helixtrans-63.1-46.9-178-73.9173.3176.700111.7R51 E52 S102R51-E55 WeakPolarHBondContact CD-OE1 3.31Å; R51-E55 HydrophobicContact CG-CG 4.26Å; R51-E55 WeakPolarHBondContact CG-OE1 3.39Å; R51-E55 IonicContact NH1-OE1 2.76Å; R51-E55 IonicContact NH1-OE2 3.03Å; R51-E55 PolarHBondContact NH1-OE2 2.89Å; R51-E55 WeakPolarHBondContact O-CG 3.46Å; R51-E55 PolarHBondContact O-N 3.04Å; E52-E55 PolarHBondContact O-N 3.47Å; E55-S102 VanDerWaalsContact O-CB 3.28Å; E55-S102 WeakPolarHBondContact O-CB 2.94Å
56E98.6Very high98.5Very high6 Ų648.6 Ų48.63%0.02824%0.239CC..Hα-helixtrans-83.9-26.4-173.3-64.2-176.4157.600114.2L23 P35 K36 E52 S102 H105L23-E56 HydrophobicContact CD1-CB 3.67Å; P35-E56 WeakPolarHBondContact CA-OE2 3.14Å; P35-E56 HydrophobicContact CB-CB 4.4Å; P35-E56 WeakPolarHBondContact CB-OE2 3.37Å; K36-E56 PolarHBondContact N-OE2 2.88Å; K36-E56 VanDerWaalsContact O-OE1 3.06Å; E52-E56 WeakPolarHBondContact O-CB 3.25Å; E52-E56 WeakPolarHBondContact O-CG 3.3Å; E52-E56 PolarHBondContact O-N 3.36Å; E56-S102 PolarHBondContact O-N 2.89Å; E56-H105 IonicContact OE1-CE1 2.98Å; E56-H105 PolarHBondContact OE1-CE1 3.34Å; E56-H105 IonicContact OE2-CE1 3.08Å
57S98.5Very high98.5Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-125.4-7.6-172.177.10000115.6T53 L59 V99 E100T53-S57 WeakPolarHBondContact O-CB 3.44Å; T53-S57 PolarHBondContact O-N 3.4Å; T53-S57 VanDerWaalsContact O-N 3.09Å; T53-S57 PolarHBondContact O-OG 2.9Å; S57-L59 PolarHBondContact O-N 2.82Å; S57-L59 WeakPolarHBondContact OG-CB 3.44Å; S57-L59 VanDerWaalsContact OG-CG 3.31Å; S57-L59 WeakPolarHBondContact OG-CG 3.11Å; S57-L59 PolarHBondContact OG-N 2.83Å; S57-V99 WeakPolarHBondContact O-CA 3.49Å; S57-E100 CarbonylContact C-O 3.58Å; S57-E100 PolarHBondContact O-N 2.81Å
58G98.4Very high98.3Very high31 Ų3147.2 Ų47.232%0.3224%0.237SC..  trans72.6-2.8-175.100000114.5K54 E60 E100K54-G58 VanDerWaalsContact O-CA 3.23Å; K54-G58 WeakPolarHBondContact O-CA 3.35Å; K54-G58 PolarHBondContact O-N 2.92Å; G58-E60 PolarHBondContact O-N 3.5Å; G58-E100 PolarHBondContact N-O 2.98Å
59L98.7Very high98Very high0 Ų054.7 Ų54.70%028%0.276CS..  trans-70.5121.1179.9-65.4178000111I10 L21 T53 K54 S57 D63 Y64 L92 T97 V99I10-L59 HydrophobicContact CD1-CD1 3.68Å; I10-L59 HydrophobicContact CG2-CD1 4.34Å; L21-L59 HydrophobicContact CD2-CD1 3.77Å; T53-L59 HydrophobicContact CG2-CB 4.03Å; K54-L59 WeakPolarHBondContact CA-O 3.41Å; S57-L59 PolarHBondContact O-N 2.82Å; S57-L59 WeakPolarHBondContact OG-CB 3.44Å; S57-L59 VanDerWaalsContact OG-CG 3.31Å; S57-L59 WeakPolarHBondContact OG-CG 3.11Å; S57-L59 PolarHBondContact OG-N 2.83Å; L59-D63 HydrophobicContact CD2-CB 4.36Å; L59-Y64 HydrophobicContact CB-CD1 4.33Å; L59-Y64 HydrophobicContact CB-CE1 4.26Å; L59-L92 HydrophobicContact CD1-CD1 4.31Å; L59-L92 HydrophobicContact CD2-CD1 3.95Å; L59-T97 HydrophobicContact CD2-CG2 3.38Å; L59-V99 HydrophobicContact CD2-CG2 4.5Å
60E98.4Very high98Very high108 Ų10855.5 Ų55.551%0.50528%0.28SS..  trans-81.6159.7177.6-62.8-165.1-179.500111.5G58 N62 D63 Y64G58-E60 PolarHBondContact O-N 3.5Å; E60-N62 PolarHBondContact O-N 2.82Å; E60-D63 PolarHBondContact N-OD2 3.3Å; E60-D63 WeakPolarHBondContact O-CB 3.2Å; E60-D63 PolarHBondContact O-N 3.44Å; E60-Y64 WeakPolarHBondContact O-CD1 3.41Å; E60-Y64 WeakPolarHBondContact O-CE1 3.41Å
61R98.1Very high98Very high113 Ų11361.2 Ų61.243%0.42630%0.299SS..THydrogen-bonded Turntrans-52.8-30.5178.1176.758.7-171.488.3-1.4112.8Y64R61-Y64 PolarHBondContact NH1-O 2.84Å; R61-Y64 VanDerWaalsContact NH1-O 3.09Å
62N98.1Very high97.9Very high122 Ų12260.1 Ų60.165%0.65230%0.296SS*.THydrogen-bonded Turntrans-78.8-17.5-179.6-72.2-31.3000113.9E60 Y64 K93E60-N62 PolarHBondContact O-N 2.82Å; N62-Y64 VanDerWaalsContact C-N 3.3Å; N62-Y64 PolarHBondContact O-N 3.31Å; N62-K93 WeakPolarHBondContact O-CD 3.05Å; N62-K93 WeakPolarHBondContact O-CE 3.31Å; N62-K93 PolarHBondContact O-NZ 2.91Å
63D98.6Very high97.9Very high39 Ų3962.4 Ų62.421%0.20931%0.31CS..THydrogen-bonded Turntrans-73.9-21.1-178.3-70.7-51.5000113.5L59 E60 L92 K93 T97L59-D63 HydrophobicContact CD2-CB 4.36Å; E60-D63 PolarHBondContact N-OD2 3.3Å; E60-D63 WeakPolarHBondContact O-CB 3.2Å; E60-D63 PolarHBondContact O-N 3.44Å; D63-L92 HydrophobicContact CB-CD1 4.27Å; D63-K93 WeakPolarHBondContact O-CB 3.45Å; D63-K93 PolarHBondContact O-N 3.18Å; D63-T97 HydrophobicContact CB-CG2 4.02Å; D63-T97 VanDerWaalsContact CG-CG2 3.49Å; D63-T97 WeakPolarHBondContact OD1-CG2 3.48Å; D63-T97 PolarHBondContact OD1-OG1 3.33Å
64Y98.7Very high97.8Very high0 Ų063 Ų630%031%0.313CS..EExtended strand (participates in β ladder)trans-132.4156.9-17756.2-96.4000113.4F8 T53 L59 E60 R61 N62 I66 A90 E91 K93F8-Y64 HydrophobicContact CD2-CE2 4.33Å; F8-Y64 HydrophobicContact CE2-CE2 4.03Å; T53-Y64 HydrophobicContact CG2-CE1 3.77Å; L59-Y64 HydrophobicContact CB-CD1 4.33Å; L59-Y64 HydrophobicContact CB-CE1 4.26Å; E60-Y64 WeakPolarHBondContact O-CD1 3.41Å; E60-Y64 WeakPolarHBondContact O-CE1 3.41Å; R61-Y64 PolarHBondContact NH1-O 2.84Å; R61-Y64 VanDerWaalsContact NH1-O 3.09Å; N62-Y64 VanDerWaalsContact C-N 3.3Å; N62-Y64 PolarHBondContact O-N 3.31Å; Y64-I66 HydrophobicContact CD2-CG1 4.33Å; Y64-I66 HydrophobicContact CE2-CG1 4.22Å; Y64-A90 HydrophobicContact CD2-CB 3.71Å; Y64-A90 HydrophobicContact CE2-CB 4.44Å; Y64-A90 HydrophobicContact CG-CB 4.14Å; Y64-E91 CarbonylContact C-O 3.53Å; Y64-E91 WeakPolarHBondContact CA-O 3.23Å; Y64-E91 VanDerWaalsContact CB-O 3.3Å; Y64-E91 WeakPolarHBondContact CB-O 3.27Å; Y64-K93 VanDerWaalsContact C-CE 3.49Å; Y64-K93 VanDerWaalsContact O-CE 3.31Å; Y64-K93 WeakPolarHBondContact O-CE 3.42Å
65M98.4Very high97.7Very high98 Ų9864.6 Ų64.648%0.48332%0.32SS..EExtended strand (participates in β ladder)trans-105.5123.7171.5179.1170.457.700108.4I67 A90 E91M65-I67 HydrophobicContact CE-CD1 4Å; M65-I67 HydrophobicContact CG-CD1 4.47Å; M65-I67 PolarHBondContact O-N 2.94Å; M65-A90 CarbonylContact O-C 3.03Å; M65-A90 VanDerWaalsContact O-CA 3.25Å; M65-A90 WeakPolarHBondContact O-CA 3.35Å; M65-E91 PolarHBondContact N-O 3.4Å; M65-E91 PolarHBondContact O-N 2.59Å
66I98.4Very high97.5Very high41 Ų4163.2 Ų63.221%0.2131%0.311CS..EExtended strand (participates in β ladder)trans-70.9126.5173.6-61.8167.2000107.5F8 L46 I50 Y64F8-I66 HydrophobicContact CE1-CD1 4.43Å; F8-I66 HydrophobicContact CE1-CG1 4.03Å; F8-I66 HydrophobicContact CE1-CG2 4.22Å; F8-I66 HydrophobicContact CZ-CD1 3.91Å; F8-I66 HydrophobicContact CZ-CG1 3.89Å; L46-I66 HydrophobicContact CD1-CD1 3.86Å; I50-I66 HydrophobicContact CD1-CD1 4.46Å; Y64-I66 HydrophobicContact CD2-CG1 4.33Å; Y64-I66 HydrophobicContact CE2-CG1 4.22Å
67I97.7Very high97.2Very high29 Ų2968.9 Ų68.915%0.14934%0.341CS..EExtended strand (participates in β ladder)trans-87.5116.7175.5-53-54.5000107.4F11 M65 L89 E91 F135F11-I67 HydrophobicContact CE1-CG1 3.98Å; F11-I67 HydrophobicContact CZ-CG1 4.41Å; M65-I67 HydrophobicContact CE-CD1 4Å; M65-I67 HydrophobicContact CG-CD1 4.47Å; M65-I67 PolarHBondContact O-N 2.94Å; I67-L89 HydrophobicContact CB-CB 4.13Å; I67-L89 HydrophobicContact CB-CD2 4.04Å; I67-L89 HydrophobicContact CB-CG 4.01Å; I67-L89 HydrophobicContact CG1-CD2 4.29Å; I67-L89 HydrophobicContact CG1-CG 4.07Å; I67-L89 HydrophobicContact CG2-CD2 4.12Å; I67-L89 PolarHBondContact N-O 3.14Å; I67-E91 HydrophobicContact CD1-CB 4.06Å; I67-E91 HydrophobicContact CG1-CB 4.42Å; I67-F135 HydrophobicContact CG2-CE1 3.78Å; I67-F135 HydrophobicContact CG2-CZ 4.3Å
68P93.5Very high96.7Very high86 Ų8670.3 Ų70.356%0.55835%0.353SS*.EExtended strand (participates in β ladder)trans-65.9168.3179.329.9-35.1000111F70P68-F70 PolarHBondContact O-N 2.94Å
69D94.2Very high96.1Very high156 Ų15676.6 Ų76.683%0.83438%0.38SS*.EExtended strand (participates in β ladder)trans65.2-6.3171.5-49.9-42.1000116.8
70F97.6Very high95.7Very high18 Ų1879.8 Ų79.88%0.07941%0.412CS..EExtended strand (participates in β ladder)trans-90.9119.8165.5-171.7-86.1000111.2P68 H72 L89 L128 E131 V132 F135P68-F70 PolarHBondContact O-N 2.94Å; F70-H72 HydrophobicContact CE1-CB 4Å; F70-H72 HydrophobicContact CZ-CB 4.03Å; F70-L89 HydrophobicContact CB-CB 3.66Å; F70-L89 HydrophobicContact CB-CD2 3.97Å; F70-L89 HydrophobicContact CB-CG 4.49Å; F70-L89 HydrophobicContact CD1-CB 3.6Å; F70-L89 HydrophobicContact CD2-CD2 4.33Å; F70-L89 HydrophobicContact CG-CB 3.74Å; F70-L89 HydrophobicContact CG-CD2 4.01Å; F70-L89 HydrophobicContact CG-CG 4.48Å; F70-L128 HydrophobicContact CE1-CD1 4.27Å; F70-L128 HydrophobicContact CZ-CD1 4.19Å; F70-E131 HydrophobicContact CE2-CB 4.47Å; F70-V132 HydrophobicContact CD1-CG2 4.49Å; F70-V132 HydrophobicContact CD2-CG2 4.46Å; F70-V132 HydrophobicContact CE1-CG2 3.68Å; F70-V132 HydrophobicContact CE2-CB 4.35Å; F70-V132 HydrophobicContact CE2-CG2 3.64Å; F70-V132 HydrophobicContact CZ-CB 4.32Å; F70-V132 HydrophobicContact CZ-CG2 3.19Å; F70-F135 HydrophobicContact CB-CD1 4.37Å; F70-F135 HydrophobicContact CB-CE1 4.12Å; F70-F135 HydrophobicContact CB-CE2 4.32Å; F70-F135 HydrophobicContact CB-CZ 4.08Å; F70-F135 HydrophobicContact CD2-CB 3.94Å; F70-F135 HydrophobicContact CD2-CD1 4.07Å; F70-F135 HydrophobicContact CD2-CD2 4.02Å; F70-F135 AromaticContact CD2-CG 3.74Å; F70-F135 HydrophobicContact CD2-CG 3.74Å; F70-F135 HydrophobicContact CE2-CB 4.25Å
71R98Very high95.5Very high163 Ų16381.5 Ų81.562%0.61542%0.418SS*.EExtended strand (participates in β ladder)trans-147.8124.6171.3-177.8179.2177.9-178.40.6110V86R71-V86 HydrophobicContact CG-CG1 3.93Å
72H98.5Very high95.4Very high21 Ų2178.9 Ų78.910%0.09742%0.416CS..EExtended strand (participates in β ladder)trans-120.8136.8176.2-179.187.2000110.6F70 M74 V86 Y87 F127 L128 E131F70-H72 HydrophobicContact CE1-CB 4Å; F70-H72 HydrophobicContact CZ-CB 4.03Å; H72-M74 WeakPolarHBondContact CD2-CG 3.2Å; H72-M74 WeakPolarHBondContact NE2-CG 3.38Å; H72-V86 WeakPolarHBondContact O-CA 3.33Å; H72-Y87 PolarHBondContact N-O 3.26Å; H72-Y87 PolarHBondContact O-N 3.06Å; H72-F127 AromaticContact CE1-CD1 3.83Å; H72-L128 HydrophobicContact CB-CD1 3.65Å; H72-E131 IonicContact CE1-OE2 3.85Å; H72-E131 PolarHBondContact CE1-OE2 2.62Å; H72-E131 IonicContact CG-OE2 3.69Å; H72-E131 IonicContact ND1-OE2 3.58Å; H72-E131 PolarHBondContact ND1-OE2 3.36Å
73V98.2Very high95.4Very high62 Ų6274.5 Ų74.538%0.37639%0.391SS..EExtended strand (participates in β ladder)trans-118.3116-179.2-1750000109.8K75 E84 V86V73-K75 HydrophobicContact CG1-CG 4.47Å; V73-E84 HydrophobicContact CG1-CG 3.86Å; V73-V86 HydrophobicContact CG1-CG2 4.48Å; V73-V86 HydrophobicContact CG2-CG2 4.23Å
74M96.4Very high95.3Very high12 Ų1274 Ų746%0.05939%0.387CS..EExtended strand (participates in β ladder)trans-102132.6175.9-64.5167.467.600110.1H72 Y76 E84 V85 Y87 Q124 A125 L128H72-M74 WeakPolarHBondContact CD2-CG 3.2Å; H72-M74 WeakPolarHBondContact NE2-CG 3.38Å; M74-Y76 HydrophobicContact CB-CD1 4.3Å; M74-Y76 HydrophobicContact CB-CE1 4.38Å; M74-E84 CarbonylContact O-C 3.57Å; M74-E84 VanDerWaalsContact O-CA 3.3Å; M74-E84 WeakPolarHBondContact O-CA 3.33Å; M74-V85 HydrophobicContact CB-CB 4.41Å; M74-V85 PolarHBondContact N-O 2.84Å; M74-V85 PolarHBondContact O-N 2.91Å; M74-Y87 HydrophobicContact SD-CD2 3.62Å; M74-Y87 HydrophobicContact SD-CE2 3.44Å; M74-Y87 WeakPolarHBondContact SD-CE2 3.48Å; M74-Q124 HydrophobicContact CE-CB 3.75Å; M74-Q124 HydrophobicContact CE-CG 3.23Å; M74-A125 HydrophobicContact CE-CB 4.42Å; M74-L128 HydrophobicContact SD-CB 4.4Å; M74-L128 HydrophobicContact SD-CD2 4.06Å
75K96.1Very high95.3Very high155 Ų15574 Ų7467%0.67439%0.387SS*.EExtended strand (participates in β ladder)trans-125.3123.6174-68.1177.5177.8-176.30109.5V73 K83 E84V73-K75 HydrophobicContact CG1-CG 4.47Å; K75-K83 WeakPolarHBondContact CA-O 3.46Å; K75-E84 WeakPolarHBondContact CE-OE2 3.4Å; K75-E84 HydrophobicContact CG-CB 4.42Å; K75-E84 HydrophobicContact CG-CG 4.16Å; K75-E84 IonicContact NZ-OE2 3.67Å; K75-E84 PolarHBondContact NZ-OE2 3.03Å
76Y93.5Very high95.3Very high67 Ų6769.3 Ų69.326%0.26336%0.364SS..EExtended strand (participates in β ladder)trans-154.8170.9-178.860-84.8000111.4M74 A78 K83 V85M74-Y76 HydrophobicContact CB-CD1 4.3Å; M74-Y76 HydrophobicContact CB-CE1 4.38Å; Y76-A78 HydrophobicContact CD2-CB 4.41Å; Y76-A78 HydrophobicContact CE2-CB 4.03Å; Y76-K83 HydrophobicContact CE1-CG 4.46Å; Y76-K83 HydrophobicContact CE2-CB 4.37Å; Y76-K83 HydrophobicContact CE2-CD 4.19Å; Y76-K83 HydrophobicContact CE2-CG 4.49Å; Y76-K83 PolarHBondContact N-O 3.21Å; Y76-K83 PolarHBondContact O-N 2.82Å; Y76-V85 HydrophobicContact CE1-CG2 3.67Å
77L92.5Very high95.3Very high125 Ų12567.7 Ų67.765%0.65436%0.356SS*.EExtended strand (participates in β ladder)trans-93.4125172.2-65.9175.5000109.6K81 P82L77-K81 WeakPolarHBondContact CA-O 3.41Å; L77-P82 HydrophobicContact CD2-CB 4.5Å; L77-P82 HydrophobicContact CD2-CG 4.18Å
78A87.7Confident95.4Very high31 Ų3167.5 Ų67.526%0.25635%0.354SS..EExtended strand (participates in β ladder)trans-114.9117.8170.900000108.5Y76 G80 K81 K83Y76-A78 HydrophobicContact CD2-CB 4.41Å; Y76-A78 HydrophobicContact CE2-CB 4.03Å; A78-G80 PolarHBondContact O-N 3.09Å; A78-K81 PolarHBondContact N-O 2.9Å; A78-K81 PolarHBondContact O-N 2.86Å; A78-K83 HydrophobicContact CB-CB 4.26Å; A78-K83 HydrophobicContact CB-CD 4.11Å
79N86.4Confident95.6Very high163 Ų16363.4 Ų63.487%0.87233%0.328SS*.THydrogen-bonded Turntrans50.542.6-177.4-60.3-35.1000113K81N79-K81 PolarHBondContact O-N 3Å
80G91.4Very high95.8Very high67 Ų6756 Ų5669%0.69129%0.288SS*.THydrogen-bonded Turntrans74-1.4-178.500000115.5A78A78-G80 PolarHBondContact O-N 3.09Å
81K93.6Very high95.9Very high143 Ų14357 Ų5762%0.62229%0.293SS*.EExtended strand (participates in β ladder)trans-102.6136.2178.8-64.7-179.1-178.8177.70110.8L77 A78 N79 K83L77-K81 WeakPolarHBondContact CA-O 3.41Å; A78-K81 PolarHBondContact N-O 2.9Å; A78-K81 PolarHBondContact O-N 2.86Å; N79-K81 PolarHBondContact O-N 3Å; K81-K83 PolarHBondContact O-N 2.85Å
82P96.7Very high95.9Very high58 Ų5849.7 Ų49.738%0.37727%0.266SS..EExtended strand (participates in β ladder)trans-60.5131172.5-22.233.2000111.4T2 E3 L77T2-P82 WeakPolarHBondContact CA-O 3.41Å; T2-P82 HydrophobicContact CG2-CB 4.17Å; E3-P82 PolarHBondContact N-O 2.99Å; L77-P82 HydrophobicContact CD2-CB 4.5Å; L77-P82 HydrophobicContact CD2-CG 4.18Å
83K96.3Very high95.9Very high30 Ų3054.5 Ų54.513%0.1329%0.287CS..EExtended strand (participates in β ladder)trans-126.8137.1175.7-174.9160.8-179.91500110.4E3 K75 Y76 A78 K81 V85E3-K83 CarbonylContact O-C 3.57Å; E3-K83 WeakPolarHBondContact O-CA 3.39Å; E3-K83 WeakPolarHBondContact OE1-CE 3.3Å; E3-K83 IonicContact OE1-NZ 3.42Å; E3-K83 PolarHBondContact OE1-NZ 2.83Å; K75-K83 WeakPolarHBondContact CA-O 3.46Å; Y76-K83 HydrophobicContact CE1-CG 4.46Å; Y76-K83 HydrophobicContact CE2-CB 4.37Å; Y76-K83 HydrophobicContact CE2-CD 4.19Å; Y76-K83 HydrophobicContact CE2-CG 4.49Å; Y76-K83 PolarHBondContact N-O 3.21Å; Y76-K83 PolarHBondContact O-N 2.82Å; A78-K83 HydrophobicContact CB-CB 4.26Å; A78-K83 HydrophobicContact CB-CD 4.11Å; K81-K83 PolarHBondContact O-N 2.85Å; K83-V85 HydrophobicContact CD-CG2 4.37Å; K83-V85 HydrophobicContact CG-CG2 4.06Å
84E97.8Very high95.8Very high28 Ų2855.4 Ų55.413%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-119124.7171.2-176.4-178.295.500108.7T2 E3 K4 A5 Y45 V73 M74 K75T2-E84 HydrophobicContact CG2-CB 4.03Å; E3-E84 PolarHBondContact O-N 2.97Å; K4-E84 CarbonylContact C-O 3.47Å; K4-E84 WeakPolarHBondContact CA-O 3.4Å; A5-E84 PolarHBondContact N-O 3.02Å; Y45-E84 PolarHBondContact OH-OE1 2.76Å; V73-E84 HydrophobicContact CG1-CG 3.86Å; M74-E84 CarbonylContact O-C 3.57Å; M74-E84 VanDerWaalsContact O-CA 3.3Å; M74-E84 WeakPolarHBondContact O-CA 3.33Å; K75-E84 WeakPolarHBondContact CE-OE2 3.4Å; K75-E84 HydrophobicContact CG-CB 4.42Å; K75-E84 HydrophobicContact CG-CG 4.16Å; K75-E84 IonicContact NZ-OE2 3.67Å; K75-E84 PolarHBondContact NZ-OE2 3.03Å
85V98.2Very high95.8Very high1 Ų158.7 Ų58.71%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-118.7126.9175.8-1700000108.7A5 K36 M74 Y76 K83 Y87A5-V85 HydrophobicContact CB-CG1 4.34Å; A5-V85 HydrophobicContact CB-CG2 4.16Å; A5-V85 WeakPolarHBondContact O-CA 3.25Å; K36-V85 HydrophobicContact CB-CG1 4.49Å; K36-V85 HydrophobicContact CD-CG1 4.06Å; M74-V85 HydrophobicContact CB-CB 4.41Å; M74-V85 PolarHBondContact N-O 2.84Å; M74-V85 PolarHBondContact O-N 2.91Å; Y76-V85 HydrophobicContact CE1-CG2 3.67Å; K83-V85 HydrophobicContact CD-CG2 4.37Å; K83-V85 HydrophobicContact CG-CG2 4.06Å; V85-Y87 HydrophobicContact CB-CE2 4.17Å; V85-Y87 HydrophobicContact CG1-CD2 3.84Å; V85-Y87 HydrophobicContact CG1-CE2 3.43Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.43Å
86V98.6Very high95.8Very high0 Ų058.2 Ų58.20%031%0.312CS..EExtended strand (participates in β ladder)trans-102.8118.4171.8179.90000109.1A5 A6 G7 Y45 R71 H72 V73A5-V86 PolarHBondContact O-N 3.24Å; A6-V86 VanDerWaalsContact CA-O 3.25Å; A6-V86 WeakPolarHBondContact CA-O 3.14Å; G7-V86 PolarHBondContact N-O 2.82Å; Y45-V86 HydrophobicContact CD1-CB 3.58Å; Y45-V86 HydrophobicContact CD1-CG1 4.41Å; Y45-V86 HydrophobicContact CD1-CG2 3.38Å; Y45-V86 HydrophobicContact CD2-CG2 4.39Å; Y45-V86 HydrophobicContact CE1-CB 4.05Å; Y45-V86 HydrophobicContact CE1-CG2 3.33Å; Y45-V86 HydrophobicContact CE2-CG2 4.36Å; Y45-V86 HydrophobicContact CG-CB 4.04Å; Y45-V86 HydrophobicContact CG-CG1 4.4Å; Y45-V86 HydrophobicContact CG-CG2 3.95Å; R71-V86 HydrophobicContact CG-CG1 3.93Å; H72-V86 WeakPolarHBondContact O-CA 3.33Å; V73-V86 HydrophobicContact CG1-CG2 4.48Å; V73-V86 HydrophobicContact CG2-CG2 4.23Å
87Y98.8Very high96Very high6 Ų656.2 Ų56.22%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-100.4132.2171.3-75.2-78.8000110.6G7 V9 P34 K36 H72 M74 V85 L128G7-Y87 WeakPolarHBondContact O-CA 3.4Å; V9-Y87 HydrophobicContact CG2-CD1 4.17Å; V9-Y87 HydrophobicContact CG2-CG 4.4Å; P34-Y87 HydrophobicContact CB-CD1 4.4Å; P34-Y87 HydrophobicContact CB-CE1 3.84Å; P34-Y87 HydrophobicContact CG-CE1 3.97Å; K36-Y87 HydrophobicContact CB-CE1 3.98Å; K36-Y87 WeakPolarHBondContact CD-OH 3.19Å; K36-Y87 HydrophobicContact CG-CE1 4.03Å; K36-Y87 VanDerWaalsContact CG-OH 3.23Å; K36-Y87 WeakPolarHBondContact CG-OH 3.48Å; H72-Y87 PolarHBondContact N-O 3.26Å; H72-Y87 PolarHBondContact O-N 3.06Å; M74-Y87 HydrophobicContact SD-CD2 3.62Å; M74-Y87 HydrophobicContact SD-CE2 3.44Å; M74-Y87 WeakPolarHBondContact SD-CE2 3.48Å; V85-Y87 HydrophobicContact CB-CE2 4.17Å; V85-Y87 HydrophobicContact CG1-CD2 3.84Å; V85-Y87 HydrophobicContact CG1-CE2 3.43Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.43Å; Y87-L128 HydrophobicContact CD1-CD2 4.18Å; Y87-L128 HydrophobicContact CD2-CD1 4.33Å; Y87-L128 HydrophobicContact CD2-CD2 3.46Å; Y87-L128 VanDerWaalsContact CD2-CD2 3.46Å; Y87-L128 HydrophobicContact CE1-CD2 4.4Å; Y87-L128 HydrophobicContact CE2-CD2 3.7Å; Y87-L128 HydrophobicContact CG-CD1 4.24Å; Y87-L128 HydrophobicContact CG-CD2 3.69Å
88M98.7Very high96.2Very high25 Ų2557.1 Ų57.112%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-109.8175.8165.9-68.6158-66.800108.9G7 F8 V9 Y45 L46 A49G7-M88 PolarHBondContact O-N 3.35Å; F8-M88 CarbonylContact C-O 3.49Å; F8-M88 WeakPolarHBondContact CA-O 3.41Å; F8-M88 HydrophobicContact CD1-CB 3.66Å; F8-M88 HydrophobicContact CE1-CB 3.55Å; F8-M88 HydrophobicContact CE1-CE 4.22Å; F8-M88 HydrophobicContact CE1-SD 4.46Å; F8-M88 HydrophobicContact CZ-CE 4.44Å; V9-M88 PolarHBondContact N-O 3.03Å; Y45-M88 WeakPolarHBondContact O-CE 3.18Å; L46-M88 HydrophobicContact CB-SD 4.37Å; L46-M88 HydrophobicContact CD1-CE 4.39Å; L46-M88 HydrophobicContact CD1-SD 4.07Å; A49-M88 HydrophobicContact CB-CE 3.28Å
89L98.7Very high96.8Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-115.2138.8-175.2-174.361.6000110.9V9 F11 I67 F70 V132 F135 L136V9-L89 HydrophobicContact CB-CD1 4.1Å; V9-L89 HydrophobicContact CG1-CD1 4.21Å; V9-L89 WeakPolarHBondContact O-CD1 3.38Å; F11-L89 HydrophobicContact CD1-CD1 3.58Å; F11-L89 HydrophobicContact CD1-CG 4.13Å; F11-L89 HydrophobicContact CE1-CD1 3.88Å; F11-L89 HydrophobicContact CE1-CD2 4.26Å; F11-L89 HydrophobicContact CE1-CG 3.91Å; I67-L89 HydrophobicContact CB-CB 4.13Å; I67-L89 HydrophobicContact CB-CD2 4.04Å; I67-L89 HydrophobicContact CB-CG 4.01Å; I67-L89 HydrophobicContact CG1-CD2 4.29Å; I67-L89 HydrophobicContact CG1-CG 4.07Å; I67-L89 HydrophobicContact CG2-CD2 4.12Å; I67-L89 PolarHBondContact N-O 3.14Å; F70-L89 HydrophobicContact CB-CB 3.66Å; F70-L89 HydrophobicContact CB-CD2 3.97Å; F70-L89 HydrophobicContact CB-CG 4.49Å; F70-L89 HydrophobicContact CD1-CB 3.6Å; F70-L89 HydrophobicContact CD2-CD2 4.33Å; F70-L89 HydrophobicContact CG-CB 3.74Å; F70-L89 HydrophobicContact CG-CD2 4.01Å; F70-L89 HydrophobicContact CG-CG 4.48Å; L89-V132 HydrophobicContact CD1-CG1 3.46Å; L89-V132 VanDerWaalsContact CD1-CG1 3.46Å; L89-V132 HydrophobicContact CD1-CG2 4.17Å; L89-V132 HydrophobicContact CD2-CG1 4.22Å; L89-F135 HydrophobicContact CD2-CD1 3.74Å; L89-F135 HydrophobicContact CD2-CE1 3.88Å; L89-L136 HydrophobicContact CD2-CD2 4.01Å; L89-L136 HydrophobicContact CD2-CG 4.42Å
90A98.7Very high97.3Very high0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-140.7141.4174.500000111.7F8 V9 I10 F11 Y64 M65F8-A90 HydrophobicContact CB-CB 4.28Å; F8-A90 HydrophobicContact CD1-CB 3.95Å; F8-A90 HydrophobicContact CG-CB 4.11Å; V9-A90 PolarHBondContact O-N 3.41Å; I10-A90 WeakPolarHBondContact CA-O 3.44Å; I10-A90 HydrophobicContact CG1-CB 4.46Å; F11-A90 WeakPolarHBondContact CD1-O 3.43Å; F11-A90 PolarHBondContact N-O 2.75Å; Y64-A90 HydrophobicContact CD2-CB 3.71Å; Y64-A90 HydrophobicContact CE2-CB 4.44Å; Y64-A90 HydrophobicContact CG-CB 4.14Å; M65-A90 CarbonylContact O-C 3.03Å; M65-A90 VanDerWaalsContact O-CA 3.25Å; M65-A90 WeakPolarHBondContact O-CA 3.35Å
91E98.5Very high97.7Very high41 Ų4153 Ų5319%0.19226%0.259CS..EExtended strand (participates in β ladder)trans-104.1125.8175.5-171.2164-15800110.5F11 R13 Y64 M65 I67 K93F11-E91 HydrophobicContact CD1-CB 4.33Å; F11-E91 HydrophobicContact CD2-CG 4.21Å; F11-E91 HydrophobicContact CE1-CB 3.63Å; F11-E91 HydrophobicContact CE1-CG 4.15Å; F11-E91 HydrophobicContact CE2-CB 4Å; F11-E91 VanDerWaalsContact CE2-CD 3.41Å; F11-E91 HydrophobicContact CE2-CG 3.54Å; F11-E91 WeakPolarHBondContact CE2-OE1 3.5Å; F11-E91 HydrophobicContact CZ-CB 3.43Å; F11-E91 VanDerWaalsContact CZ-CB 3.43Å; F11-E91 VanDerWaalsContact CZ-CD 3.42Å; F11-E91 HydrophobicContact CZ-CG 3.52Å; F11-E91 CarbonylContact O-C 3.59Å; F11-E91 WeakPolarHBondContact O-CA 3.33Å; R13-E91 VanDerWaalsContact CD-OE1 3.32Å; R13-E91 WeakPolarHBondContact CD-OE1 3.43Å; R13-E91 IonicContact NE-OE1 2.69Å; R13-E91 PolarHBondContact NE-OE1 3.37Å; Y64-E91 CarbonylContact C-O 3.53Å; Y64-E91 WeakPolarHBondContact CA-O 3.23Å; Y64-E91 VanDerWaalsContact CB-O 3.3Å; Y64-E91 WeakPolarHBondContact CB-O 3.27Å; M65-E91 PolarHBondContact N-O 3.4Å; M65-E91 PolarHBondContact O-N 2.59Å; I67-E91 HydrophobicContact CD1-CB 4.06Å; I67-E91 HydrophobicContact CG1-CB 4.42Å; E91-K93 PolarHBondContact O-N 3.09Å
92L98.6Very high97.8Very high8 Ų847.4 Ų47.44%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-67.6128.6173.4-16975.8000110.1F11 K12 L59 D63 N94 T97 W110F11-L92 PolarHBondContact O-N 3.18Å; K12-L92 HydrophobicContact CB-CB 3.92Å; K12-L92 HydrophobicContact CB-CD2 4.24Å; K12-L92 HydrophobicContact CD-CD2 3.98Å; L59-L92 HydrophobicContact CD1-CD1 4.31Å; L59-L92 HydrophobicContact CD2-CD1 3.95Å; D63-L92 HydrophobicContact CB-CD1 4.27Å; L92-N94 VanDerWaalsContact CD2-O 3.3Å; L92-N94 WeakPolarHBondContact CD2-O 3.23Å; L92-T97 HydrophobicContact CD1-CG2 4.39Å; L92-W110 HydrophobicContact CB-CH2 4.24Å; L92-W110 HydrophobicContact CD2-CH2 3.9Å; L92-W110 HydrophobicContact CD2-CZ2 3.79Å
93K97.8Very high97.9Very high122 Ų12252.5 Ų52.553%0.5326%0.257SS..SBendtrans-80.2-43-177.1-62.3177.1-170.2160.70112.9N62 D63 Y64 E91N62-K93 WeakPolarHBondContact O-CD 3.05Å; N62-K93 WeakPolarHBondContact O-CE 3.31Å; N62-K93 PolarHBondContact O-NZ 2.91Å; D63-K93 WeakPolarHBondContact O-CB 3.45Å; D63-K93 PolarHBondContact O-N 3.18Å; Y64-K93 VanDerWaalsContact C-CE 3.49Å; Y64-K93 VanDerWaalsContact O-CE 3.31Å; Y64-K93 WeakPolarHBondContact O-CE 3.42Å; E91-K93 PolarHBondContact O-N 3.09Å
94N97.2Very high97.9Very high81 Ų8155.8 Ų55.843%0.43327%0.273SS..  trans-114.7117.8-176.7179.72.9000110.2L92 N96 T97L92-N94 VanDerWaalsContact CD2-O 3.3Å; L92-N94 WeakPolarHBondContact CD2-O 3.23Å; N94-N96 PolarHBondContact O-N 2.88Å; N94-N96 VanDerWaalsContact O-N 3.16Å; N94-N96 WeakPolarHBondContact OD1-CB 3.38Å; N94-N96 PolarHBondContact OD1-N 2.72Å; N94-T97 WeakPolarHBondContact O-CB 3.27Å; N94-T97 PolarHBondContact O-N 3.42Å; N94-T97 PolarHBondContact O-OG1 3.5Å
95L96.4Very high97.9Very high82 Ų8255.1 Ų55.143%0.42927%0.27SS..THydrogen-bonded Turntrans-66-17.7-178.1-58.3-177.2000113.6K12 R13 A14K12-L95 HydrophobicContact CB-CD2 3.78Å; K12-L95 HydrophobicContact CD-CD2 3.9Å; K12-L95 HydrophobicContact CG-CD2 4.03Å; R13-L95 WeakPolarHBondContact O-CD2 3.44Å; A14-L95 HydrophobicContact CB-CD1 4.28Å
96N96Very high97.9Very high145 Ų14559 Ų5978%0.77529%0.288SS*.THydrogen-bonded Turntrans-91.6-0.6176.4-61.4-41.4000113.2N94 K98N94-N96 PolarHBondContact O-N 2.88Å; N94-N96 VanDerWaalsContact O-N 3.16Å; N94-N96 WeakPolarHBondContact OD1-CB 3.38Å; N94-N96 PolarHBondContact OD1-N 2.72Å; N96-K98 PolarHBondContact O-N 3.2Å
97T97.6Very high97.9Very high24 Ų2464.4 Ų64.415%0.14731%0.311CS..PPolyproline II helixtrans-59.7126.9173.8-64.10000109.2L59 D63 L92 N94L59-T97 HydrophobicContact CD2-CG2 3.38Å; D63-T97 HydrophobicContact CB-CG2 4.02Å; D63-T97 VanDerWaalsContact CG-CG2 3.49Å; D63-T97 WeakPolarHBondContact OD1-CG2 3.48Å; D63-T97 PolarHBondContact OD1-OG1 3.33Å; L92-T97 HydrophobicContact CD1-CG2 4.39Å; N94-T97 WeakPolarHBondContact O-CB 3.27Å; N94-T97 PolarHBondContact O-N 3.42Å; N94-T97 PolarHBondContact O-OG1 3.5Å
98K97.4Very high97.8Very high144 Ų14467.8 Ų67.863%0.62633%0.326SS*.PPolyproline II helixtrans-81.5137.1-178.3-173.5-177.1172.2-155.60109.9N96 E100N96-K98 PolarHBondContact O-N 3.2Å; K98-E100 HydrophobicContact CD-CG 4.07Å; K98-E100 WeakPolarHBondContact CD-OE1 3.39Å; K98-E100 WeakPolarHBondContact CE-OE1 3.23Å; K98-E100 HydrophobicContact CG-CG 4.15Å; K98-E100 IonicContact NZ-OE1 2.91Å; K98-E100 PolarHBondContact NZ-OE1 3.11Å
99V98.5Very high97.8Very high9 Ų971 Ų716%0.05534%0.341CS..PPolyproline II helixtrans-89.9128.5167.6173.40000108.1L21 S57 L59 L101 F108 W110L21-V99 HydrophobicContact CD1-CG2 4.04Å; L21-V99 HydrophobicContact CD2-CG2 4.28Å; S57-V99 WeakPolarHBondContact O-CA 3.49Å; L59-V99 HydrophobicContact CD2-CG2 4.5Å; V99-L101 HydrophobicContact CG1-CD2 3.84Å; V99-L101 HydrophobicContact CG1-CG 4.47Å; V99-F108 HydrophobicContact CB-CD1 4.14Å; V99-F108 HydrophobicContact CB-CD2 4.05Å; V99-F108 HydrophobicContact CB-CE1 3.98Å; V99-F108 HydrophobicContact CB-CE2 3.89Å; V99-F108 HydrophobicContact CB-CG 4.18Å; V99-F108 HydrophobicContact CB-CZ 3.86Å; V99-F108 HydrophobicContact CG1-CB 4.24Å; V99-F108 HydrophobicContact CG1-CD1 3.74Å; V99-F108 HydrophobicContact CG1-CD2 4.05Å; V99-F108 HydrophobicContact CG1-CE1 4.07Å; V99-F108 HydrophobicContact CG1-CE2 4.36Å; V99-F108 HydrophobicContact CG1-CG 3.74Å; V99-F108 HydrophobicContact CG1-CZ 4.37Å; V99-F108 HydrophobicContact CG2-CD2 4.24Å; V99-F108 HydrophobicContact CG2-CE2 4.15Å; V99-W110 HydrophobicContact CG2-CZ2 4.41Å
100E98.3Very high97.8Very high110 Ų11072.8 Ų72.851%0.51435%0.348SS..  trans-122.6108.3176.6-60.3-163.5155.600108.9S57 G58 K98S57-E100 CarbonylContact C-O 3.58Å; S57-E100 PolarHBondContact O-N 2.81Å; G58-E100 PolarHBondContact N-O 2.98Å; K98-E100 HydrophobicContact CD-CG 4.07Å; K98-E100 WeakPolarHBondContact CD-OE1 3.39Å; K98-E100 WeakPolarHBondContact CE-OE1 3.23Å; K98-E100 HydrophobicContact CG-CG 4.15Å; K98-E100 IonicContact NZ-OE1 2.91Å; K98-E100 PolarHBondContact NZ-OE1 3.11Å
101L98.4Very high97.7Very high55 Ų5573.3 Ų73.329%0.28835%0.351SS..  trans-76.6143.2-173.9-58.7175.7000112.2L23 V99 H105 K107 F108L23-L101 HydrophobicContact CD1-CD2 4.45Å; L23-L101 HydrophobicContact CD2-CD2 3.76Å; V99-L101 HydrophobicContact CG1-CD2 3.84Å; V99-L101 HydrophobicContact CG1-CG 4.47Å; L101-H105 HydrophobicContact CB-CB 4.29Å; L101-H105 HydrophobicContact CD1-CB 4.29Å; L101-H105 HydrophobicContact CD2-CB 4.12Å; L101-H105 HydrophobicContact CG-CB 4.47Å; L101-K107 VanDerWaalsContact CD1-C 3.48Å; L101-F108 HydrophobicContact CD1-CB 4.38Å; L101-F108 HydrophobicContact CD1-CD1 3.97Å; L101-F108 HydrophobicContact CD2-CB 3.95Å; L101-F108 HydrophobicContact CD2-CD1 4.17Å; L101-F108 HydrophobicContact CD2-CG 4.43Å; L101-F108 HydrophobicContact CG-CD1 4.05Å
102S97.5Very high97.7Very high27 Ų2773 Ų7319%0.18935%0.352CS..  trans-72.8168.8161.170.50000111.5E55 E56 E104 H105E55-S102 VanDerWaalsContact O-CB 3.28Å; E55-S102 WeakPolarHBondContact O-CB 2.94Å; E56-S102 PolarHBondContact O-N 2.89Å; S102-E104 PolarHBondContact O-N 2.98Å; S102-E104 VanDerWaalsContact O-N 3.1Å; S102-E104 PolarHBondContact OG-N 3.34Å; S102-H105 PolarHBondContact O-N 3.32Å
103H97.1Very high97.6Very high164 Ų16474.3 Ų74.376%0.75936%0.36SS*.THydrogen-bonded Turntrans-58.9-19.6174.365.8-76.5000114.1S26 H105S26-H103 WeakPolarHBondContact CB-O 3.45Å; S26-H103 PolarHBondContact OG-O 3.43Å; H103-H105 PolarHBondContact O-N 3.04Å
104E96.8Very high97.6Very high100 Ų10074.7 Ų74.747%0.46737%0.367SS..THydrogen-bonded Turntrans-68.5-19176.4-57.9-169.8-162.900112.5S26 S102S26-E104 WeakPolarHBondContact CB-O 3.45Å; S26-E104 PolarHBondContact N-O 3.43Å; S26-E104 PolarHBondContact OG-O 3.43Å; S102-E104 PolarHBondContact O-N 2.98Å; S102-E104 VanDerWaalsContact O-N 3.1Å; S102-E104 PolarHBondContact OG-N 3.34Å
105H98.1Very high97.6Very high13 Ų1374 Ų746%0.0636%0.361CS..EExtended strand (participates in β ladder)trans-127.8145.7-178.8-61.386.1000111.6L23 Q24 S26 E56 L101 S102 H103L23-H105 HydrophobicContact CB-CB 4.36Å; L23-H105 WeakPolarHBondContact CB-CD2 3.37Å; Q24-H105 CarbonylContact O-C 3.52Å; Q24-H105 VanDerWaalsContact O-CA 3.23Å; Q24-H105 WeakPolarHBondContact O-CA 3.04Å; Q24-H105 WeakPolarHBondContact O-CB 3.33Å; S26-H105 WeakPolarHBondContact OG-CA 3.34Å; S26-H105 PolarHBondContact OG-N 3.29Å; S26-H105 PolarHBondContact OG-O 3.4Å; E56-H105 IonicContact OE1-CE1 2.98Å; E56-H105 PolarHBondContact OE1-CE1 3.34Å; E56-H105 IonicContact OE2-CE1 3.08Å; L101-H105 HydrophobicContact CB-CB 4.29Å; L101-H105 HydrophobicContact CD1-CB 4.29Å; L101-H105 HydrophobicContact CD2-CB 4.12Å; L101-H105 HydrophobicContact CG-CB 4.47Å; S102-H105 PolarHBondContact O-N 3.32Å; H103-H105 PolarHBondContact O-N 3.04Å
106Q97.7Very high97.7Very high84 Ų8470 Ų7039%0.39334%0.34SS..EExtended strand (participates in β ladder)trans-114.9-20.1-176.456.4172.4-29.200113.5Q24 A25 S26 H30Q24-Q106 HydrophobicContact CB-CG 4.37Å; Q24-Q106 HydrophobicContact CG-CG 4.37Å; Q24-Q106 PolarHBondContact O-N 2.94Å; A25-Q106 PolarHBondContact O-NE2 2.97Å; A25-Q106 VanDerWaalsContact O-NE2 3.12Å; S26-Q106 PolarHBondContact OG-N 3.48Å; H30-Q106 PolarHBondContact CE1-NE2 2.88Å; H30-Q106 PolarHBondContact ND1-NE2 2.94Å
107K98.1Very high97.8Very high113 Ų11364.2 Ų64.249%0.49131%0.31SS..EExtended strand (participates in β ladder)trans-146.9156.2179.4-61.1-173.8-170.6172.90109.8Q24 W32 L101Q24-K107 HydrophobicContact CB-CB 4Å; Q24-K107 PolarHBondContact N-O 2.82Å; W32-K107 HydrophobicContact CH2-CB 3.72Å; W32-K107 HydrophobicContact CZ2-CB 4.31Å; W32-K107 HydrophobicContact CZ3-CB 4.47Å; L101-K107 VanDerWaalsContact CD1-C 3.48Å
108F98.4Very high97.7Very high76 Ų7670.9 Ų70.933%0.33333%0.333SS..EExtended strand (participates in β ladder)trans-137.4155.6167.372.9-88.3000109.7L21 L22 L23 V99 L101L21-F108 HydrophobicContact CD1-CB 4.17Å; L21-F108 HydrophobicContact CD1-CD2 3.97Å; L21-F108 HydrophobicContact CD1-CG 4.45Å; L22-F108 CarbonylContact O-C 3.54Å; L22-F108 WeakPolarHBondContact O-CA 3.42Å; L23-F108 HydrophobicContact CD2-CB 3.64Å; V99-F108 HydrophobicContact CB-CD1 4.14Å; V99-F108 HydrophobicContact CB-CD2 4.05Å; V99-F108 HydrophobicContact CB-CE1 3.98Å; V99-F108 HydrophobicContact CB-CE2 3.89Å; V99-F108 HydrophobicContact CB-CG 4.18Å; V99-F108 HydrophobicContact CB-CZ 3.86Å; V99-F108 HydrophobicContact CG1-CB 4.24Å; V99-F108 HydrophobicContact CG1-CD1 3.74Å; V99-F108 HydrophobicContact CG1-CD2 4.05Å; V99-F108 HydrophobicContact CG1-CE1 4.07Å; V99-F108 HydrophobicContact CG1-CE2 4.36Å; V99-F108 HydrophobicContact CG1-CG 3.74Å; V99-F108 HydrophobicContact CG1-CZ 4.37Å; V99-F108 HydrophobicContact CG2-CD2 4.24Å; V99-F108 HydrophobicContact CG2-CE2 4.15Å; L101-F108 HydrophobicContact CD1-CB 4.38Å; L101-F108 HydrophobicContact CD1-CD1 3.97Å; L101-F108 HydrophobicContact CD2-CB 3.95Å; L101-F108 HydrophobicContact CD2-CD1 4.17Å; L101-F108 HydrophobicContact CD2-CG 4.43Å; L101-F108 HydrophobicContact CG-CD1 4.05Å
109E98.2Very high97.7Very high93 Ų9366.1 Ų66.144%0.43531%0.314SS..EExtended strand (participates in β ladder)trans-139.2146.9175.2-71.2-66.4172.800110.5L21 L22 W32 C111 L119L21-E109 WeakPolarHBondContact CA-O 3.35Å; L22-E109 PolarHBondContact N-O 3.28Å; L22-E109 PolarHBondContact O-N 3.12Å; W32-E109 HydrophobicContact CH2-CB 4.39Å; W32-E109 HydrophobicContact CH2-CG 3.65Å; W32-E109 HydrophobicContact CZ3-CB 4.02Å; W32-E109 HydrophobicContact CZ3-CG 3.8Å; E109-C111 VanDerWaalsContact CB-SG 3.53Å; E109-L119 HydrophobicContact CB-CD1 4.26Å; E109-L119 HydrophobicContact CG-CD1 4.4Å
110W98.4Very high97.6Very high38 Ų3865.8 Ų65.814%0.14431%0.312CS..EExtended strand (participates in β ladder)trans-103.4102.2164.6-75.3100.4000108.5I10 K12 K19 Y20 L21 L92 V99I10-W110 HydrophobicContact CG2-CH2 3.91Å; I10-W110 HydrophobicContact CG2-CZ3 4.47Å; K12-W110 HydrophobicContact CB-CE3 4.42Å; K12-W110 HydrophobicContact CB-CH2 4.4Å; K12-W110 HydrophobicContact CB-CZ3 4Å; K12-W110 HydrophobicContact CD-CD2 3.64Å; K12-W110 HydrophobicContact CD-CE3 3.61Å; K12-W110 HydrophobicContact CD-CG 4.21Å; K12-W110 HydrophobicContact CD-CH2 4.1Å; K12-W110 HydrophobicContact CD-CZ2 4.14Å; K12-W110 HydrophobicContact CD-CZ3 3.84Å; K12-W110 VanDerWaalsContact CE-CD2 3.46Å; K12-W110 VanDerWaalsContact CE-CG 3.48Å; K12-W110 HydrophobicContact CG-CD2 4.26Å; K12-W110 HydrophobicContact CG-CE3 3.72Å; K12-W110 HydrophobicContact CG-CH2 4.44Å; K12-W110 HydrophobicContact CG-CZ3 3.82Å; K12-W110 VanDerWaalsContact NZ-CD1 3.28Å; K12-W110 VanDerWaalsContact NZ-CG 3.3Å; K19-W110 HydrophobicContact CB-CB 4.32Å; Y20-W110 WeakPolarHBondContact O-CA 3.26Å; L21-W110 HydrophobicContact CB-CD2 4.29Å; L21-W110 HydrophobicContact CB-CE3 3.98Å; L21-W110 HydrophobicContact CB-CH2 3.68Å; L21-W110 HydrophobicContact CB-CZ2 3.97Å; L21-W110 HydrophobicContact CB-CZ3 3.67Å; L21-W110 HydrophobicContact CD1-CD2 4.32Å; L21-W110 HydrophobicContact CD1-CZ2 4.08Å; L21-W110 HydrophobicContact CD2-CH2 4.41Å; L21-W110 HydrophobicContact CD2-CZ2 4.23Å; L21-W110 HydrophobicContact CG-CH2 4.47Å; L21-W110 HydrophobicContact CG-CZ2 4.33Å; L92-W110 HydrophobicContact CB-CH2 4.24Å; L92-W110 HydrophobicContact CD2-CH2 3.9Å; L92-W110 HydrophobicContact CD2-CZ2 3.79Å; V99-W110 HydrophobicContact CG2-CZ2 4.41Å
111C97.1Very high96.9Very high10 Ų1068.6 Ų68.67%0.06832%0.322CS..EExtended strand (participates in β ladder)trans-113.9138.5-170-72.50000113.2K19 Y20 E109 E115 A116 L119K19-C111 CarbonylContact C-O 3.57Å; K19-C111 VanDerWaalsContact CA-O 3.26Å; K19-C111 WeakPolarHBondContact CA-O 3.42Å; Y20-C111 PolarHBondContact N-O 3.1Å; Y20-C111 PolarHBondContact O-N 3.32Å; E109-C111 VanDerWaalsContact CB-SG 3.53Å; C111-E115 HydrophobicContact CB-CB 3.77Å; C111-A116 HydrophobicContact CB-CB 3.85Å; C111-L119 WeakPolarHBondContact SG-CD1 3.01Å
112P97.8Very high96.6Very high34 Ų3471.5 Ų71.522%0.22133%0.331CS..  trans-59.7164.1161.5-8.220.9000110.9L17 L114 E115 A116L17-P112 HydrophobicContact CD1-CG 4.43Å; P112-L114 VanDerWaalsContact C-N 3.31Å; P112-L114 PolarHBondContact O-N 3.13Å; P112-E115 VanDerWaalsContact CB-OE2 3.29Å; P112-E115 WeakPolarHBondContact CB-OE2 3.41Å; P112-E115 WeakPolarHBondContact CD-OE2 3.1Å; P112-E115 WeakPolarHBondContact CG-OE2 3.23Å; P112-E115 PolarHBondContact O-N 3.09Å; P112-A116 VanDerWaalsContact O-CB 3.3Å; P112-A116 WeakPolarHBondContact O-CB 3.21Å; P112-A116 PolarHBondContact O-N 3.18Å
113L97.6Very high96.4Very high37 Ų3775.1 Ų75.119%0.19435%0.353CS..Hα-helixtrans-50.4-47.1-175.1-178.665.5000113.5Y20 E115 A116 C117 L129 E133Y20-L113 HydrophobicContact CE2-CB 4.13Å; Y20-L113 HydrophobicContact CE2-CD1 4.04Å; L113-E115 PolarHBondContact O-N 2.66Å; L113-A116 PolarHBondContact O-N 2.83Å; L113-C117 WeakPolarHBondContact O-CB 3.4Å; L113-C117 PolarHBondContact O-N 2.62Å; L113-C117 PolarHBondContact O-SG 3.03Å; L113-L129 HydrophobicContact CD1-CB 3.81Å; L113-E133 HydrophobicContact CD1-CB 4.35Å; L113-E133 HydrophobicContact CD2-CB 3.88Å; L113-E133 HydrophobicContact CD2-CG 3.79Å
114L96.7Very high96.3Very high130 Ų13070.6 Ų70.668%0.68133%0.332SS*.Hα-helixtrans-63.8-44.2-176.4-67.8178.3000112.4P112 R118P112-L114 VanDerWaalsContact C-N 3.31Å; P112-L114 PolarHBondContact O-N 3.13Å; L114-R118 WeakPolarHBondContact O-CG 3.35Å; L114-R118 PolarHBondContact O-N 3.21Å; L114-R118 PolarHBondContact O-NE 2.85Å
115E97.9Very high96.2Very high65 Ų6566.3 Ų66.330%0.30431%0.314SS..Hα-helixtrans-65.2-44.7173.8-70.558.9-135.800110.9C111 P112 L113 C117 R118 L119C111-E115 HydrophobicContact CB-CB 3.77Å; P112-E115 VanDerWaalsContact CB-OE2 3.29Å; P112-E115 WeakPolarHBondContact CB-OE2 3.41Å; P112-E115 WeakPolarHBondContact CD-OE2 3.1Å; P112-E115 WeakPolarHBondContact CG-OE2 3.23Å; P112-E115 PolarHBondContact O-N 3.09Å; L113-E115 PolarHBondContact O-N 2.66Å; E115-C117 PolarHBondContact O-N 3.3Å; E115-R118 VanDerWaalsContact CD-NH2 3.3Å; E115-R118 VanDerWaalsContact CG-NH2 3.3Å; E115-R118 WeakPolarHBondContact O-CB 3.43Å; E115-R118 PolarHBondContact O-N 3.03Å; E115-R118 VanDerWaalsContact O-N 3.11Å; E115-R118 IonicContact OE1-CZ 2.71Å; E115-R118 IonicContact OE1-NH2 3.92Å; E115-R118 PolarHBondContact OE1-NH2 2.86Å; E115-L119 PolarHBondContact O-N 3.44Å
116A98.2Very high96.2Very high0 Ų067.1 Ų67.10%032%0.32CS..Hα-helixtrans-61.5-45.3-17800000111.2Y20 L22 C111 P112 L113 R118 L119 V120 L129Y20-A116 HydrophobicContact CD2-CB 4.03Å; L22-A116 HydrophobicContact CD1-CB 3.87Å; C111-A116 HydrophobicContact CB-CB 3.85Å; P112-A116 VanDerWaalsContact O-CB 3.3Å; P112-A116 WeakPolarHBondContact O-CB 3.21Å; P112-A116 PolarHBondContact O-N 3.18Å; L113-A116 PolarHBondContact O-N 2.83Å; A116-R118 VanDerWaalsContact C-N 3.3Å; A116-R118 PolarHBondContact O-N 3.32Å; A116-L119 PolarHBondContact O-N 3.2Å; A116-L119 VanDerWaalsContact O-N 3.17Å; A116-V120 PolarHBondContact O-N 2.91Å; A116-L129 HydrophobicContact CB-CD1 3.69Å
117C97.5Very high96.2Very high22 Ų2268.1 Ų68.115%0.14932%0.323CS..Hα-helixtrans-61.3-36.4174.6-68.50000112.6L113 E115 K121 V126L113-C117 WeakPolarHBondContact O-CB 3.4Å; L113-C117 PolarHBondContact O-N 2.62Å; L113-C117 PolarHBondContact O-SG 3.03Å; E115-C117 PolarHBondContact O-N 3.3Å; C117-K121 PolarHBondContact O-N 3.2Å; C117-V126 HydrophobicContact CB-CG1 4.19Å; C117-V126 HydrophobicContact CB-CG2 4.22Å
118R97Very high96.2Very high164 Ų16462.8 Ų62.862%0.61930%0.3SS*.Hα-helixtrans-66.9-35.5175.1-74.1-176.9-71.7144.3-13.9112.6L114 E115 A116 K121L114-R118 WeakPolarHBondContact O-CG 3.35Å; L114-R118 PolarHBondContact O-N 3.21Å; L114-R118 PolarHBondContact O-NE 2.85Å; E115-R118 VanDerWaalsContact CD-NH2 3.3Å; E115-R118 VanDerWaalsContact CG-NH2 3.3Å; E115-R118 WeakPolarHBondContact O-CB 3.43Å; E115-R118 PolarHBondContact O-N 3.03Å; E115-R118 VanDerWaalsContact O-N 3.11Å; E115-R118 IonicContact OE1-CZ 2.71Å; E115-R118 IonicContact OE1-NH2 3.92Å; E115-R118 PolarHBondContact OE1-NH2 2.86Å; A116-R118 VanDerWaalsContact C-N 3.3Å; A116-R118 PolarHBondContact O-N 3.32Å; R118-K121 WeakPolarHBondContact O-CG 3.01Å
119L97.4Very high96.2Very high45 Ų4559.2 Ų59.224%0.23628%0.284CS..Hα-helixtrans-74.1-47.5-179.8-72.7178.6000113L22 W32 E109 C111 E115 A116 K121L22-L119 HydrophobicContact CD1-CB 3.95Å; L22-L119 HydrophobicContact CD1-CD1 4.08Å; W32-L119 HydrophobicContact CB-CB 4.07Å; W32-L119 HydrophobicContact CD2-CB 4.36Å; W32-L119 HydrophobicContact CD2-CD1 4.31Å; W32-L119 HydrophobicContact CD2-CD2 4.38Å; W32-L119 HydrophobicContact CE3-CD1 4.33Å; W32-L119 HydrophobicContact CG-CB 3.96Å; W32-L119 HydrophobicContact CG-CD2 4.49Å; W32-L119 HydrophobicContact CZ2-CD2 4.47Å; E109-L119 HydrophobicContact CB-CD1 4.26Å; E109-L119 HydrophobicContact CG-CD1 4.4Å; C111-L119 WeakPolarHBondContact SG-CD1 3.01Å; E115-L119 PolarHBondContact O-N 3.44Å; A116-L119 PolarHBondContact O-N 3.2Å; A116-L119 VanDerWaalsContact O-N 3.17Å; L119-K121 VanDerWaalsContact C-N 3.29Å; L119-K121 PolarHBondContact O-N 3.09Å
120V95.9Very high96.2Very high2 Ų259.4 Ų59.41%0.01229%0.285CS..Hα-helixtrans-69.4-26-175.4-58.60000113.2L22 W32 A116 Y122 A125 V126 L129L22-V120 HydrophobicContact CD1-CG1 3.77Å; L22-V120 HydrophobicContact CD2-CG1 3.78Å; L22-V120 HydrophobicContact CG-CG1 4.44Å; W32-V120 WeakPolarHBondContact O-CG1 3.39Å; A116-V120 PolarHBondContact O-N 2.91Å; V120-Y122 WeakPolarHBondContact O-CD2 3.27Å; V120-Y122 PolarHBondContact O-N 3.36Å; V120-A125 HydrophobicContact CB-CB 3.74Å; V120-A125 HydrophobicContact CG1-CB 4.47Å; V120-A125 HydrophobicContact CG2-CB 3.72Å; V120-V126 HydrophobicContact CG2-CG2 3.88Å; V120-L129 HydrophobicContact CG1-CD1 4.06Å; V120-L129 HydrophobicContact CG2-CD1 4.07Å
121K84Confident96.1Very high168 Ų16861 Ų6173%0.7329%0.294SS*.  trans59.8-40.6174.6-63.4173.3-174.6176.50117C117 R118 L119C117-K121 PolarHBondContact O-N 3.2Å; R118-K121 WeakPolarHBondContact O-CG 3.01Å; L119-K121 VanDerWaalsContact C-N 3.29Å; L119-K121 PolarHBondContact O-N 3.09Å
122Y90.7Very high96.2Very high117 Ų11760.5 Ų60.546%0.45929%0.291SS..SBendtrans-71.6131-176.2-67.1-69.2000111.2H31 V120 Q124 A125 V126H31-Y122 HydrophobicContact CB-CE2 4.43Å; V120-Y122 WeakPolarHBondContact O-CD2 3.27Å; V120-Y122 PolarHBondContact O-N 3.36Å; Y122-Q124 VanDerWaalsContact C-N 3.26Å; Y122-Q124 PolarHBondContact O-N 3.31Å; Y122-Q124 VanDerWaalsContact O-N 3.14Å; Y122-A125 PolarHBondContact O-N 3.06Å; Y122-V126 PolarHBondContact O-N 3.2Å
123P93.8Very high96.2Very high102 Ų10262 Ų6266%0.66230%0.295SS*.Hα-helixtrans-52.9-39.8-176-29.535.5000114.3A125 V126 F127P123-A125 VanDerWaalsContact C-N 3.34Å; P123-A125 PolarHBondContact O-N 2.84Å; P123-V126 PolarHBondContact O-N 3.34Å; P123-F127 WeakPolarHBondContact O-CB 3.37Å; P123-F127 PolarHBondContact O-N 3.44Å
124Q94.2Very high96.1Very high69 Ų6962.5 Ų62.532%0.32231%0.305SS..Hα-helixtrans-66.3-34.7178.465.4-85.226.600112.9M74 Y122 L128M74-Q124 HydrophobicContact CE-CB 3.75Å; M74-Q124 HydrophobicContact CE-CG 3.23Å; Y122-Q124 VanDerWaalsContact C-N 3.26Å; Y122-Q124 PolarHBondContact O-N 3.31Å; Y122-Q124 VanDerWaalsContact O-N 3.14Å; Q124-L128 PolarHBondContact O-N 2.86Å; Q124-L128 VanDerWaalsContact O-N 3.08Å
125A95.3Very high96.2Very high10 Ų1059.1 Ų59.18%0.08329%0.285CS..Hα-helixtrans-77.4-34.217700000111.3M74 V120 Y122 P123 L128 L129M74-A125 HydrophobicContact CE-CB 4.42Å; V120-A125 HydrophobicContact CB-CB 3.74Å; V120-A125 HydrophobicContact CG1-CB 4.47Å; V120-A125 HydrophobicContact CG2-CB 3.72Å; Y122-A125 PolarHBondContact O-N 3.06Å; P123-A125 VanDerWaalsContact C-N 3.34Å; P123-A125 PolarHBondContact O-N 2.84Å; A125-L128 PolarHBondContact O-N 2.83Å; A125-L129 WeakPolarHBondContact O-CG 3.41Å; A125-L129 PolarHBondContact O-N 2.78Å
126V97.5Very high96.1Very high30 Ų3056.4 Ų56.418%0.18227%0.272CS..Hα-helixtrans-60.9-46.9170.21720000110.4C117 V120 Y122 P123 L128 L129 Q130C117-V126 HydrophobicContact CB-CG1 4.19Å; C117-V126 HydrophobicContact CB-CG2 4.22Å; V120-V126 HydrophobicContact CG2-CG2 3.88Å; Y122-V126 PolarHBondContact O-N 3.2Å; P123-V126 PolarHBondContact O-N 3.34Å; V126-L128 PolarHBondContact O-N 3.4Å; V126-L129 PolarHBondContact O-N 2.85Å; V126-Q130 HydrophobicContact CG1-CG 4.48Å; V126-Q130 WeakPolarHBondContact O-CG 3.33Å; V126-Q130 PolarHBondContact O-N 2.89Å
127F97.8Very high95.9Very high105 Ų10559.2 Ų59.246%0.46130%0.296SS..Hα-helixtrans-61.4-43.3178.7-175.7-106.9000112.2H72 P123 L129 Q130 E131H72-F127 AromaticContact CE1-CD1 3.83Å; P123-F127 WeakPolarHBondContact O-CB 3.37Å; P123-F127 PolarHBondContact O-N 3.44Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-L129 PolarHBondContact O-N 3.35Å; F127-Q130 PolarHBondContact O-N 2.92Å; F127-E131 HydrophobicContact CD1-CG 4.23Å; F127-E131 WeakPolarHBondContact CD1-OE2 3.47Å; F127-E131 HydrophobicContact CE1-CG 3.8Å; F127-E131 WeakPolarHBondContact CE1-OE2 3.28Å; F127-E131 HydrophobicContact CE2-CG 4.17Å; F127-E131 VanDerWaalsContact CZ-CD 3.5Å; F127-E131 HydrophobicContact CZ-CG 3.75Å; F127-E131 PolarHBondContact O-N 3.4Å
128L98.3Very high95.6Very high1 Ų165.9 Ų65.91%0.00532%0.322CS..Hα-helixtrans-51.6-50.5172.816866.9000112V9 P34 F70 H72 M74 Y87 Q124 A125 V126 E131 V132V9-L128 HydrophobicContact CG2-CD1 3.9Å; V9-L128 HydrophobicContact CG2-CD2 3.78Å; V9-L128 HydrophobicContact CG2-CG 3.91Å; P34-L128 HydrophobicContact CG-CD2 4.39Å; F70-L128 HydrophobicContact CE1-CD1 4.27Å; F70-L128 HydrophobicContact CZ-CD1 4.19Å; H72-L128 HydrophobicContact CB-CD1 3.65Å; M74-L128 HydrophobicContact SD-CB 4.4Å; M74-L128 HydrophobicContact SD-CD2 4.06Å; Y87-L128 HydrophobicContact CD1-CD2 4.18Å; Y87-L128 HydrophobicContact CD2-CD1 4.33Å; Y87-L128 HydrophobicContact CD2-CD2 3.46Å; Y87-L128 VanDerWaalsContact CD2-CD2 3.46Å; Y87-L128 HydrophobicContact CE1-CD2 4.4Å; Y87-L128 HydrophobicContact CE2-CD2 3.7Å; Y87-L128 HydrophobicContact CG-CD1 4.24Å; Y87-L128 HydrophobicContact CG-CD2 3.69Å; Q124-L128 PolarHBondContact O-N 2.86Å; Q124-L128 VanDerWaalsContact O-N 3.08Å; A125-L128 PolarHBondContact O-N 2.83Å; V126-L128 PolarHBondContact O-N 3.4Å; L128-E131 PolarHBondContact O-N 3.1Å; L128-V132 HydrophobicContact CD1-CG2 4.45Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.2Å
129L98.4Very high94.9Very high1 Ų161.4 Ų61.41%0.00532%0.32CS..Hα-helixtrans-67.1-37.5-178.2-65.2174.8000112.2V9 Y20 L113 A116 V120 A125 V126 F127 V132 E133V9-L129 HydrophobicContact CG1-CD2 4.23Å; Y20-L129 HydrophobicContact CD1-CD2 4.24Å; Y20-L129 HydrophobicContact CD2-CD2 4.39Å; Y20-L129 HydrophobicContact CG-CD2 4.09Å; L113-L129 HydrophobicContact CD1-CB 3.81Å; A116-L129 HydrophobicContact CB-CD1 3.69Å; V120-L129 HydrophobicContact CG1-CD1 4.06Å; V120-L129 HydrophobicContact CG2-CD1 4.07Å; A125-L129 WeakPolarHBondContact O-CG 3.41Å; A125-L129 PolarHBondContact O-N 2.78Å; V126-L129 PolarHBondContact O-N 2.85Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-L129 PolarHBondContact O-N 3.35Å; L129-V132 PolarHBondContact O-N 3.12Å; L129-E133 PolarHBondContact O-N 2.95Å
130Q97.9Very high93.6Very high98 Ų9865.8 Ų65.846%0.45834%0.339SS..Hα-helixtrans-65.8-39175.5-71.6174.8-22.500112.2V126 F127 E133 A134V126-Q130 HydrophobicContact CG1-CG 4.48Å; V126-Q130 WeakPolarHBondContact O-CG 3.33Å; V126-Q130 PolarHBondContact O-N 2.89Å; F127-Q130 PolarHBondContact O-N 2.92Å; Q130-E133 PolarHBondContact O-N 3.2Å; Q130-A134 WeakPolarHBondContact O-CB 3.38Å; Q130-A134 PolarHBondContact O-N 3.42Å
131E98Very high91.4Very high71 Ų7175.4 Ų75.433%0.33239%0.391SS..Hα-helixtrans-65.3-40.2174.3-77.4-166.5107.600111.8F70 H72 F127 L128 A134 F135F70-E131 HydrophobicContact CE2-CB 4.47Å; H72-E131 IonicContact CE1-OE2 3.85Å; H72-E131 PolarHBondContact CE1-OE2 2.62Å; H72-E131 IonicContact CG-OE2 3.69Å; H72-E131 IonicContact ND1-OE2 3.58Å; H72-E131 PolarHBondContact ND1-OE2 3.36Å; F127-E131 HydrophobicContact CD1-CG 4.23Å; F127-E131 WeakPolarHBondContact CD1-OE2 3.47Å; F127-E131 HydrophobicContact CE1-CG 3.8Å; F127-E131 WeakPolarHBondContact CE1-OE2 3.28Å; F127-E131 HydrophobicContact CE2-CG 4.17Å; F127-E131 VanDerWaalsContact CZ-CD 3.5Å; F127-E131 HydrophobicContact CZ-CG 3.75Å; F127-E131 PolarHBondContact O-N 3.4Å; L128-E131 PolarHBondContact O-N 3.1Å; E131-A134 PolarHBondContact O-N 2.95Å; E131-F135 VanDerWaalsContact O-CB 3.29Å; E131-F135 WeakPolarHBondContact O-CB 3.29Å; E131-F135 PolarHBondContact O-N 2.76Å
132V98.2Very high91.8Very high0 Ų070.8 Ų70.80%037%0.374CS..Hα-helixtrans-61.9-48.2174173.20000110.9V9 Y20 F70 L89 L128 L129 A134 F135 L136V9-V132 HydrophobicContact CB-CG2 4.19Å; V9-V132 HydrophobicContact CG1-CG1 4.28Å; V9-V132 HydrophobicContact CG1-CG2 4.07Å; V9-V132 HydrophobicContact CG2-CG2 4.14Å; Y20-V132 HydrophobicContact CE1-CB 4.35Å; Y20-V132 HydrophobicContact CE1-CG1 3.64Å; F70-V132 HydrophobicContact CD1-CG2 4.49Å; F70-V132 HydrophobicContact CD2-CG2 4.46Å; F70-V132 HydrophobicContact CE1-CG2 3.68Å; F70-V132 HydrophobicContact CE2-CB 4.35Å; F70-V132 HydrophobicContact CE2-CG2 3.64Å; F70-V132 HydrophobicContact CZ-CB 4.32Å; F70-V132 HydrophobicContact CZ-CG2 3.19Å; L89-V132 HydrophobicContact CD1-CG1 3.46Å; L89-V132 VanDerWaalsContact CD1-CG1 3.46Å; L89-V132 HydrophobicContact CD1-CG2 4.17Å; L89-V132 HydrophobicContact CD2-CG1 4.22Å; L128-V132 HydrophobicContact CD1-CG2 4.45Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.2Å; L129-V132 PolarHBondContact O-N 3.12Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 3.01Å; V132-F135 WeakPolarHBondContact O-CB 3.42Å; V132-F135 PolarHBondContact O-N 2.77Å; V132-L136 HydrophobicContact CG1-CD1 3.87Å; V132-L136 HydrophobicContact CG1-CG 4.21Å; V132-L136 WeakPolarHBondContact O-CB 3.4Å; V132-L136 VanDerWaalsContact O-CG 3.31Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 2.91Å
133E97.4Very high91.9Very high64 Ų6468.4 Ų68.430%0.29937%0.37SS..Hα-helixtrans-58.1-46.9177.6-173.280155.300111.3Y20 L113 L129 Q130 F135 L136 A137Y20-E133 PolarHBondContact OH-OE2 3.22Å; L113-E133 HydrophobicContact CD1-CB 4.35Å; L113-E133 HydrophobicContact CD2-CB 3.88Å; L113-E133 HydrophobicContact CD2-CG 3.79Å; L129-E133 PolarHBondContact O-N 2.95Å; Q130-E133 PolarHBondContact O-N 3.2Å; E133-F135 VanDerWaalsContact C-N 3.31Å; E133-F135 PolarHBondContact O-N 2.86Å; E133-L136 PolarHBondContact O-N 3.08Å; E133-A137 WeakPolarHBondContact O-CB 3.41Å; E133-A137 PolarHBondContact O-N 3.1Å
134A97.2Very high91.7Very high49 Ų4966.5 Ų66.541%0.40535%0.353SS..Hα-helixtrans-63.9-36.3178.900000112.6Q130 E131 V132 K138Q130-A134 WeakPolarHBondContact O-CB 3.38Å; Q130-A134 PolarHBondContact O-N 3.42Å; E131-A134 PolarHBondContact O-N 2.95Å; V132-A134 VanDerWaalsContact C-N 3.34Å; V132-A134 PolarHBondContact O-N 3.01Å; A134-K138 WeakPolarHBondContact O-CG 3.19Å; A134-K138 PolarHBondContact O-N 2.79Å
135F97.6Very high91.6Very high59 Ų5966.4 Ų66.426%0.25936%0.355SS..Hα-helixtrans-65-48.4174.1176.9-91000111.2I67 F70 L89 E131 V132 E133 A137 K138 A139I67-F135 HydrophobicContact CG2-CE1 3.78Å; I67-F135 HydrophobicContact CG2-CZ 4.3Å; F70-F135 HydrophobicContact CB-CD1 4.37Å; F70-F135 HydrophobicContact CB-CE1 4.12Å; F70-F135 HydrophobicContact CB-CE2 4.32Å; F70-F135 HydrophobicContact CB-CZ 4.08Å; F70-F135 HydrophobicContact CD2-CB 3.94Å; F70-F135 HydrophobicContact CD2-CD1 4.07Å; F70-F135 HydrophobicContact CD2-CD2 4.02Å; F70-F135 AromaticContact CD2-CG 3.74Å; F70-F135 HydrophobicContact CD2-CG 3.74Å; F70-F135 HydrophobicContact CE2-CB 4.25Å; L89-F135 HydrophobicContact CD2-CD1 3.74Å; L89-F135 HydrophobicContact CD2-CE1 3.88Å; E131-F135 VanDerWaalsContact O-CB 3.29Å; E131-F135 WeakPolarHBondContact O-CB 3.29Å; E131-F135 PolarHBondContact O-N 2.76Å; V132-F135 WeakPolarHBondContact O-CB 3.42Å; V132-F135 PolarHBondContact O-N 2.77Å; E133-F135 VanDerWaalsContact C-N 3.31Å; E133-F135 PolarHBondContact O-N 2.86Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 2.91Å; F135-K138 PolarHBondContact O-N 3.22Å; F135-A139 PolarHBondContact O-N 3.5Å; F135-A139 VanDerWaalsContact O-N 3.16Å
136L96.5Very high91.4Very high8 Ų869.9 Ų69.94%0.04237%0.372CS..Hα-helixtrans-62.9-38.5179.3-70.8177.5000112.2F11 V18 L89 V132 E133 K138 A139 Q140F11-L136 HydrophobicContact CD1-CD1 4.19Å; F11-L136 HydrophobicContact CD2-CD1 3.99Å; F11-L136 HydrophobicContact CE1-CD1 4.21Å; F11-L136 HydrophobicContact CE1-CD2 3.85Å; F11-L136 HydrophobicContact CE2-CD1 4.01Å; F11-L136 HydrophobicContact CE2-CD2 4.1Å; F11-L136 HydrophobicContact CG-CD1 4.07Å; F11-L136 HydrophobicContact CZ-CD1 4.12Å; F11-L136 HydrophobicContact CZ-CD2 3.54Å; V18-L136 HydrophobicContact CG1-CD1 3.9Å; V18-L136 HydrophobicContact CG2-CD1 4.3Å; L89-L136 HydrophobicContact CD2-CD2 4.01Å; L89-L136 HydrophobicContact CD2-CG 4.42Å; V132-L136 HydrophobicContact CG1-CD1 3.87Å; V132-L136 HydrophobicContact CG1-CG 4.21Å; V132-L136 WeakPolarHBondContact O-CB 3.4Å; V132-L136 VanDerWaalsContact O-CG 3.31Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 2.91Å; E133-L136 PolarHBondContact O-N 3.08Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 2.72Å; L136-A139 PolarHBondContact O-N 3.2Å; L136-Q140 WeakPolarHBondContact O-CG 3.43Å
137A94Very high91Very high59 Ų5972.5 Ų72.549%0.48839%0.385SS..Hα-helixtrans-64.3-36.1177.200000112.7E133 F135E133-A137 WeakPolarHBondContact O-CB 3.41Å; E133-A137 PolarHBondContact O-N 3.1Å; F135-A137 VanDerWaalsContact C-N 3.33Å; F135-A137 PolarHBondContact O-N 2.91Å
138K91.8Very high90.5Very high161 Ų16170.2 Ų70.270%0.738%0.379SS*.Hα-helixtrans-72.3-34.8176.8-71.7173-175.5176.40112.8A134 F135 L136 Q140 N141A134-K138 WeakPolarHBondContact O-CG 3.19Å; A134-K138 PolarHBondContact O-N 2.79Å; F135-K138 PolarHBondContact O-N 3.22Å; L136-K138 VanDerWaalsContact C-N 3.33Å; L136-K138 PolarHBondContact O-N 2.72Å; K138-Q140 PolarHBondContact O-N 3.03Å; K138-N141 PolarHBondContact O-N 3.24Å
139A82.1Confident89.9Confident71 Ų7175.5 Ų75.559%0.58741%0.408SS*.THydrogen-bonded Turntrans-73.3-10-179.200000113.8F135 L136F135-A139 PolarHBondContact O-N 3.5Å; F135-A139 VanDerWaalsContact O-N 3.16Å; L136-A139 PolarHBondContact O-N 3.2Å
140Q69.3Low89.2Confident136 Ų13681.8 Ų81.864%0.63644%0.442SS*.THydrogen-bonded Turntrans-87.2-5.5174.2-59.2-142.3-60.500113.7L136 K138L136-Q140 WeakPolarHBondContact O-CG 3.43Å; K138-Q140 PolarHBondContact O-N 3.03Å
141N50.1Low88.4Confident205 Ų20580.3 Ų80.3100%1.09644%0.44SS*.  trans-108.70-179.4-9969.2000111.5K138K138-N141 PolarHBondContact O-N 3.24Å

Retrieved 141 of 141 residues in 90.3 ms (Link to these results)

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