A0A087X3F4_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087X3F4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M39.1Very low40Very low242 Ų242139.1 Ų139.1100%1.19288%0.875SS**  082.90-71.9169.5163.500105.6
2A34.6Very low40.4Very low90 Ų90133.7 Ų133.774%0.74487%0.866SS**  66.492.593.100000109.8
3E36.3Very low40.5Very low191 Ų191130.9 Ų130.989%0.89385%0.852SS**  94114.784.5-91.9-167.7106.100111.9
4S40.5Very low41.1Very low127 Ų127134.2 Ų134.289%0.88886%0.857SS**  trans-158.686.2146.451.70000109.2
5G37.4Very low41.5Very low80 Ų80133.1 Ų133.183%0.82585%0.848SS**  trans-73.6142160.800000110.1
6S39.3Very low41.9Very low121 Ų121131.2 Ų131.285%0.84684%0.84SS**  trans-133.489.5160.2-172.40000107.6
7A40.9Very low42.1Very low93 Ų93130.2 Ų130.277%0.76984%0.837SS**  trans-91.4107.716100000106E9A7-E9 PolarHBondContact O-N 3.22Å
8A42.4Very low42.9Very low99 Ų99127.6 Ų127.682%0.81883%0.829SS**  trans-71.7120.917300000108.8
9E36.8Very low43.7Very low189 Ų189129.2 Ų129.288%0.88383%0.829SS**  trans-68.9143.9-176.5-62.6-168.499.200112.8A7 S11A7-E9 PolarHBondContact O-N 3.22Å; E9-S11 PolarHBondContact O-N 3.49Å
10L47.2Very low44.5Very low180 Ų180128 Ų12894%0.94282%0.822SS**  trans-62113.6166-76.3127.8000110.2
11S45.7Very low45.3Very low118 Ų118127.2 Ų127.283%0.82582%0.817SS**  trans-113.299.7156.5-179.50000108.5E9 S13E9-S11 PolarHBondContact O-N 3.49Å; S11-S13 PolarHBondContact O-N 3.21Å
12G44.2Very low46.6Very low74 Ų74121.4 Ų121.476%0.76380%0.798SS**  trans-58.2121170.900000110.4
13S42Very low48.5Very low98 Ų98127.7 Ų127.769%0.68580%0.802SS**  trans-97.692161.1-168.20000107.3S11 T15S11-S13 PolarHBondContact O-N 3.21Å; S13-T15 PolarHBondContact O-N 2.97Å; S13-T15 WeakPolarHBondContact OG-CG2 3.44Å
14L48.5Very low50.8Low177 Ų177121.8 Ų121.893%0.92778%0.779SS**  trans-69.682.6158.7-73.9167000106.6S16L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.98Å
15T47.9Very low53.2Low117 Ų117120.6 Ų120.672%0.71876%0.755SS**  trans-71.596.9166.846.10000107.9S13 S17S13-T15 PolarHBondContact O-N 2.97Å; S13-T15 WeakPolarHBondContact OG-CG2 3.44Å; T15-S17 PolarHBondContact O-N 3.27Å
16S47.5Very low55.9Low103 Ų103120.2 Ų120.272%0.7273%0.733SS**  trans3.8103.61531750000113.3L14 A18L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.98Å; S16-A18 PolarHBondContact O-N 3.31Å
17S44.7Very low58.6Low114 Ų114115.2 Ų115.280%0.79770%0.696SS**  trans-6090.4162470000107.7T15 L19T15-S17 PolarHBondContact O-N 3.27Å; S17-L19 PolarHBondContact O-N 3.38Å
18A57.7Low61.1Low83 Ų83111.5 Ų111.569%0.68666%0.663SS**  trans-53.8114.7169.800000106.1S16S16-A18 PolarHBondContact O-N 3.31Å
19L57.5Low63.6Low159 Ų159106.8 Ų106.883%0.83262%0.624SS**PPolyproline II helixtrans-49.1130.2172.7-74.1166.6000106.6S17S17-L19 PolarHBondContact O-N 3.38Å
20P59.8Low66.4Low105 Ų10597.8 Ų97.868%0.68258%0.582SS**PPolyproline II helixtrans-51.8137.3177.520.4-30.6000107.8
21P60.6Low68.7Low111 Ų11189.2 Ų89.272%0.72154%0.537SS*.PPolyproline II helixtrans-51.3139-176.220.5-32000109R23P21-R23 PolarHBondContact O-N 2.76Å; P21-R23 VanDerWaalsContact O-N 3.12Å
22P66.7Low71Confident121 Ų12183.6 Ų83.679%0.78650%0.498SS*.PPolyproline II helixtrans-51.9125.6-175.817.4-29.2000109.4T24P22-T24 PolarHBondContact O-N 2.94Å
23R75.3Confident73.4Confident221 Ų22180.1 Ų80.183%0.83446%0.462SS*.  trans-62.1101.7-178-68.9-174.4174.9-168.6-0.3108.3P21 R25P21-R23 PolarHBondContact O-N 2.76Å; P21-R23 VanDerWaalsContact O-N 3.12Å; R23-R25 PolarHBondContact O-N 2.7Å
24T84.4Confident75.9Confident67 Ų6777.2 Ų77.241%0.41144%0.439SS..  trans-65.9123.3175.6-570000107.9P22 L67 K76P22-T24 PolarHBondContact O-N 2.94Å; T24-L67 HydrophobicContact CG2-CD1 3.91Å; T24-K76 HydrophobicContact CG2-CB 4.04Å
25R91.9Very high78Confident103 Ų10371.9 Ų71.939%0.38942%0.416SS..EExtended strand (participates in β ladder)trans-63.2140.3176.3-68.8-170.2-170.1-178.62.7109.8R23 E73 K76R23-R25 PolarHBondContact O-N 2.7Å; R25-E73 WeakPolarHBondContact CD-OE1 3.44Å; R25-E73 WeakPolarHBondContact CG-OE1 3.37Å; R25-E73 IonicContact CZ-OE1 3.12Å; R25-E73 IonicContact CZ-OE2 2.76Å; R25-E73 IonicContact NE-OE1 3.34Å; R25-E73 PolarHBondContact NE-OE1 2.85Å; R25-K76 PolarHBondContact O-N 3.31Å
26I93.3Very high80.1Confident71 Ų7168.9 Ų68.936%0.36441%0.409SS..EExtended strand (participates in β ladder)trans-119122.5-178.1-55.2-177.4000108.7K76 Q78 H101I26-K76 CarbonylContact C-O 3.57Å; I26-K76 VanDerWaalsContact CA-O 3.3Å; I26-K76 WeakPolarHBondContact CA-O 3.31Å; I26-K76 HydrophobicContact CD1-CD 4.37Å; I26-K76 HydrophobicContact CG1-CB 4.28Å; I26-K76 HydrophobicContact CG1-CD 4.31Å; I26-Q78 HydrophobicContact CG2-CB 4.34Å; I26-Q78 HydrophobicContact CG2-CG 3.66Å; I26-H101 PolarHBondContact O-CE1 3.29Å
27F95.2Very high82.4Confident16 Ų1664.1 Ų64.17%0.0738%0.375CS..EExtended strand (participates in β ladder)trans-104.6106171.3-67-26.9000109.9I75 K76 Q78 A197 L200 K201F27-I75 HydrophobicContact CD2-CG2 3.48Å; F27-I75 VanDerWaalsContact CD2-CG2 3.48Å; F27-I75 HydrophobicContact CE2-CD1 3.81Å; F27-I75 HydrophobicContact CE2-CG2 3.64Å; F27-I75 HydrophobicContact CG-CG2 4.08Å; F27-I75 HydrophobicContact CZ-CD1 4.23Å; F27-I75 HydrophobicContact CZ-CG2 4.34Å; F27-K76 PolarHBondContact N-O 3.47Å; F27-Q78 PolarHBondContact O-N 3.31Å; F27-A197 HydrophobicContact CD2-CB 4.43Å; F27-A197 WeakPolarHBondContact CE2-O 3.38Å; F27-L200 HydrophobicContact CB-CD1 3.75Å; F27-L200 HydrophobicContact CD1-CB 4.16Å; F27-L200 HydrophobicContact CD1-CD1 4.21Å; F27-L200 HydrophobicContact CD2-CB 3.82Å; F27-L200 HydrophobicContact CD2-CD1 3.95Å; F27-L200 HydrophobicContact CE1-CB 4.03Å; F27-L200 HydrophobicContact CE2-CB 3.66Å; F27-L200 HydrophobicContact CG-CB 4.08Å; F27-L200 HydrophobicContact CG-CD1 3.72Å; F27-L200 HydrophobicContact CZ-CB 3.79Å; F27-K201 HydrophobicContact CE2-CB 4.2Å; F27-K201 HydrophobicContact CZ-CB 4.23Å
28K94.2Very high84.8Confident16 Ų1659.3 Ų59.37%0.0734%0.343CS..EExtended strand (participates in β ladder)trans-81.3114.3172.3173.6169.6176.3-175.60110.2W80 H95 Y96 R98 V100 H101 A102K28-W80 HydrophobicContact CD-CD2 4.41Å; K28-W80 HydrophobicContact CD-CZ2 4.19Å; K28-W80 VanDerWaalsContact CE-CE2 3.42Å; K28-W80 HydrophobicContact CG-CG 4.37Å; K28-H95 PolarHBondContact NZ-O 2.81Å; K28-Y96 WeakPolarHBondContact CE-O 3.42Å; K28-Y96 PolarHBondContact NZ-O 2.93Å; K28-R98 PolarHBondContact NZ-O 3.43Å; K28-V100 HydrophobicContact CD-CG2 4.41Å; K28-V100 HydrophobicContact CG-CG2 4.43Å; K28-H101 PolarHBondContact N-ND1 2.96Å; K28-H101 WeakPolarHBondContact O-CA 3.32Å; K28-H101 WeakPolarHBondContact O-CB 3.38Å; K28-H101 PolarHBondContact O-N 3.16Å; K28-A102 PolarHBondContact O-N 3.4Å
29I95.2Very high86.5Confident0 Ų055.7 Ų55.70%031%0.312CS..EExtended strand (participates in β ladder)trans-115.7124178.1-51.3179.9000107.9I77 Q78 L79 W80 A102 V104 V196 L200I29-I77 HydrophobicContact CD1-CG2 3.83Å; I29-I77 HydrophobicContact CG1-CG2 4.46Å; I29-Q78 PolarHBondContact N-O 3.45Å; I29-L79 HydrophobicContact CB-CD2 3.86Å; I29-L79 HydrophobicContact CD1-CD2 4.14Å; I29-L79 HydrophobicContact CG1-CD2 4.43Å; I29-L79 HydrophobicContact CG2-CD2 4.28Å; I29-L79 WeakPolarHBondContact O-CA 3.41Å; I29-W80 PolarHBondContact O-N 2.87Å; I29-A102 WeakPolarHBondContact CA-O 3.41Å; I29-A102 HydrophobicContact CG1-CB 4.22Å; I29-A102 HydrophobicContact CG2-CB 4.21Å; I29-V104 HydrophobicContact CG2-CG2 3.6Å; I29-V196 HydrophobicContact CD1-CB 4.43Å; I29-V196 HydrophobicContact CD1-CG1 3.79Å; I29-V196 HydrophobicContact CG1-CG1 4.44Å; I29-L200 HydrophobicContact CG1-CD1 4.42Å
30I94.7Very high88.3Confident0 Ų049.6 Ų49.60%028%0.281CS..EExtended strand (participates in β ladder)trans-95.1142.4173.357.1165.9000110.4I32 W80 Y96 Y97 V100 A102 V103 V104I30-I32 HydrophobicContact CD1-CG2 4.25Å; I30-W80 HydrophobicContact CB-CB 4.49Å; I30-W80 HydrophobicContact CG2-CB 3.82Å; I30-W80 HydrophobicContact CG2-CG 4.37Å; I30-Y96 WeakPolarHBondContact CG2-O 3.42Å; I30-Y97 HydrophobicContact CD1-CD1 3.43Å; I30-Y97 VanDerWaalsContact CD1-CD1 3.43Å; I30-Y97 HydrophobicContact CD1-CE1 3.26Å; I30-Y97 HydrophobicContact CD1-CG 4.49Å; I30-V100 HydrophobicContact CB-CG2 4.42Å; I30-V100 HydrophobicContact CD1-CG1 4.2Å; I30-V100 HydrophobicContact CD1-CG2 4.12Å; I30-V100 HydrophobicContact CG1-CG1 3.82Å; I30-V100 HydrophobicContact CG1-CG2 4.1Å; I30-V100 HydrophobicContact CG2-CG2 3.5Å; I30-A102 PolarHBondContact N-O 3.36Å; I30-V103 HydrophobicContact CD1-CB 4.44Å; I30-V103 HydrophobicContact CD1-CG1 4.03Å; I30-V103 HydrophobicContact CD1-CG2 3.88Å; I30-V103 HydrophobicContact CG1-CB 4.17Å; I30-V103 HydrophobicContact CG1-CG1 4.01Å; I30-V103 HydrophobicContact CG1-CG2 3.87Å; I30-V104 PolarHBondContact O-N 3.06Å
31V95.6Very high89.9Confident0 Ų045.2 Ų45.20%025%0.253CS..EExtended strand (participates in β ladder)trans-116.4117.6176.3-169.80000108.3K39 T43 W80 T82 V104 V106 F193V31-K39 HydrophobicContact CG1-CB 3.87Å; V31-K39 HydrophobicContact CG1-CD 4.14Å; V31-K39 HydrophobicContact CG1-CG 3.94Å; V31-T43 HydrophobicContact CB-CG2 4.25Å; V31-T43 HydrophobicContact CG2-CG2 3.66Å; V31-W80 PolarHBondContact N-O 2.96Å; V31-T82 PolarHBondContact O-N 2.97Å; V31-T82 PolarHBondContact O-OG1 2.88Å; V31-V104 WeakPolarHBondContact CA-O 3.27Å; V31-V104 HydrophobicContact CG1-CB 4.38Å; V31-V104 HydrophobicContact CG1-CG1 4.43Å; V31-V104 HydrophobicContact CG2-CB 4.29Å; V31-V106 HydrophobicContact CG1-CG2 3.48Å; V31-V106 VanDerWaalsContact CG1-CG2 3.48Å; V31-F193 HydrophobicContact CG2-CE1 4.44Å
32I94.3Very high91.5Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-129.9153.6-172.459.4175.5000111.6I30 T82 V103 V104 F105 V106 W121 C125I30-I32 HydrophobicContact CD1-CG2 4.25Å; I32-T82 HydrophobicContact CG2-CG2 4.01Å; I32-V103 HydrophobicContact CD1-CG1 3.58Å; I32-V103 HydrophobicContact CG1-CG1 3.89Å; I32-V104 PolarHBondContact N-O 2.82Å; I32-F105 HydrophobicContact CD1-CD1 3.63Å; I32-F105 HydrophobicContact CD1-CE1 3.23Å; I32-F105 HydrophobicContact CD1-CZ 3.83Å; I32-F105 HydrophobicContact CG1-CD1 3.7Å; I32-F105 HydrophobicContact CG1-CE1 3.88Å; I32-F105 HydrophobicContact CG1-CG 4.35Å; I32-F105 CarbonylContact O-C 3.55Å; I32-F105 WeakPolarHBondContact O-CA 3.47Å; I32-V106 PolarHBondContact O-N 3.05Å; I32-W121 HydrophobicContact CB-CE3 4.07Å; I32-W121 HydrophobicContact CB-CZ3 4.18Å; I32-C125 HydrophobicContact CD1-CB 4.37Å
33G94.6Very high92.9Very high0 Ų034.3 Ų34.30%018%0.182CC..  trans144.3173.4-173.400000112.2K39 G84 V106 W121G33-K39 WeakPolarHBondContact O-CE 3.45Å; G33-K39 PolarHBondContact O-NZ 2.75Å; G33-G84 WeakPolarHBondContact O-CA 3.37Å; G33-V106 WeakPolarHBondContact CA-O 3.49Å; G33-W121 WeakPolarHBondContact O-CH2 3.5Å; G33-W121 WeakPolarHBondContact O-CZ2 3.43Å
34D94.1Very high93.7Very high38 Ų3825.1 Ų25.120%0.20315%0.148CC..  trans-61.7165.4-171.8-81.312.1000114.1V37 K39 S117 W121D34-V37 HydrophobicContact CB-CG1 3.81Å; D34-V37 VanDerWaalsContact O-CG2 3.26Å; D34-V37 WeakPolarHBondContact O-CG2 3.49Å; D34-K39 PolarHBondContact O-NZ 2.94Å; D34-S117 VanDerWaalsContact OD1-CB 3.27Å; D34-S117 WeakPolarHBondContact OD1-CB 3.44Å; D34-S117 VanDerWaalsContact OD2-CB 3.31Å; D34-S117 WeakPolarHBondContact OD2-CB 3.18Å; D34-S117 PolarHBondContact OD2-OG 3.41Å; D34-W121 PolarHBondContact OD1-NE1 3.11Å
35S92.3Very high94.1Very high64 Ų6422.7 Ų22.745%0.44813%0.132SC..THydrogen-bonded Turntrans-67.2137.7175-171.30000110V37S35-V37 VanDerWaalsContact C-N 3.31Å; S35-V37 PolarHBondContact O-N 3.24Å
36G92.4Very high94.1Very high55 Ų5517.9 Ų17.957%0.56711%0.113SC*.THydrogen-bonded Turntrans80.30.1176.200000116.1G38 K142G36-G38 PolarHBondContact O-N 2.74Å; G36-K142 WeakPolarHBondContact O-CE 3.26Å; G36-K142 PolarHBondContact O-NZ 2.94Å
37V95.6Very high94Very high2 Ų216 Ų161%0.01211%0.107CC..SBendtrans-71.2-15.2175.3-54.70000113.5D34 S35 K39 V106 D108 N141D34-V37 HydrophobicContact CB-CG1 3.81Å; D34-V37 VanDerWaalsContact O-CG2 3.26Å; D34-V37 WeakPolarHBondContact O-CG2 3.49Å; S35-V37 VanDerWaalsContact C-N 3.31Å; S35-V37 PolarHBondContact O-N 3.24Å; V37-K39 HydrophobicContact CG2-CD 4.3Å; V37-K39 HydrophobicContact CG2-CG 3.63Å; V37-V106 HydrophobicContact CB-CG1 4.29Å; V37-V106 HydrophobicContact CG2-CB 4Å; V37-V106 HydrophobicContact CG2-CG1 3.76Å; V37-D108 HydrophobicContact CB-CB 4.2Å; V37-D108 HydrophobicContact CG1-CB 4.11Å; V37-N141 PolarHBondContact O-ND2 2.84Å
38G94.6Very high93.7Very high13 Ų1317.6 Ų17.613%0.13412%0.122CC..SBendtrans99.524.4174.600000115.9G36 T40 C41 L42G36-G38 PolarHBondContact O-N 2.74Å; G38-T40 PolarHBondContact O-N 3.38Å; G38-C41 WeakPolarHBondContact O-CB 3.45Å; G38-C41 PolarHBondContact O-N 3.01Å; G38-C41 VanDerWaalsContact O-N 3.13Å; G38-L42 WeakPolarHBondContact O-CG 3.37Å; G38-L42 PolarHBondContact O-N 3.29Å
39K95.2Very high93.3Very high8 Ų818.8 Ų18.84%0.03514%0.14CC..Hα-helixtrans-53.1-52.5174.7-56.8-172.3-59.4-72.70112.4V31 G33 D34 V37 C41 L42 T43 D81 T82 V106V31-K39 HydrophobicContact CG1-CB 3.87Å; V31-K39 HydrophobicContact CG1-CD 4.14Å; V31-K39 HydrophobicContact CG1-CG 3.94Å; G33-K39 WeakPolarHBondContact O-CE 3.45Å; G33-K39 PolarHBondContact O-NZ 2.75Å; D34-K39 PolarHBondContact O-NZ 2.94Å; V37-K39 HydrophobicContact CG2-CD 4.3Å; V37-K39 HydrophobicContact CG2-CG 3.63Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.66Å; K39-L42 PolarHBondContact O-N 3.5Å; K39-L42 VanDerWaalsContact O-N 3.12Å; K39-T43 WeakPolarHBondContact O-CG2 3.24Å; K39-T43 PolarHBondContact O-N 2.91Å; K39-T43 PolarHBondContact O-OG1 3.24Å; K39-D81 WeakPolarHBondContact CB-OD1 3.12Å; K39-T82 WeakPolarHBondContact CE-O 3.3Å; K39-T82 PolarHBondContact NZ-O 3.46Å; K39-V106 HydrophobicContact CG-CB 4.05Å; K39-V106 HydrophobicContact CG-CG1 4.45Å; K39-V106 HydrophobicContact CG-CG2 4.18Å
40T94.5Very high92.8Very high30 Ų3025 Ų2518%0.18416%0.163CC..Hα-helixtrans-57.2-40.5175.6-43.50000112.2G38 T43 F44 T58 D81G38-T40 PolarHBondContact O-N 3.38Å; T40-T43 PolarHBondContact O-OG1 3.17Å; T40-F44 WeakPolarHBondContact O-CB 3.42Å; T40-F44 PolarHBondContact O-N 2.8Å; T40-T58 PolarHBondContact OG1-OG1 2.82Å; T40-T58 VanDerWaalsContact OG1-OG1 3.06Å; T40-D81 VanDerWaalsContact CA-OD2 3.31Å; T40-D81 WeakPolarHBondContact CA-OD2 3.47Å; T40-D81 VanDerWaalsContact CB-OD2 3.26Å; T40-D81 WeakPolarHBondContact CB-OD2 3.06Å; T40-D81 PolarHBondContact N-OD1 2.91Å; T40-D81 PolarHBondContact OG1-OD2 2.89Å
41C94.1Very high92.4Very high13 Ų1328.4 Ų28.49%0.08818%0.178CC..Hα-helixtrans-66.2-40.9177.8-55.80000111.8G38 K39 R45 F51 P52 A172G38-C41 WeakPolarHBondContact O-CB 3.45Å; G38-C41 PolarHBondContact O-N 3.01Å; G38-C41 VanDerWaalsContact O-N 3.13Å; K39-C41 VanDerWaalsContact C-N 3.28Å; K39-C41 PolarHBondContact O-N 2.66Å; C41-R45 WeakPolarHBondContact O-CB 3.36Å; C41-R45 PolarHBondContact O-N 3.23Å; C41-F51 HydrophobicContact CB-CD2 4.32Å; C41-F51 HydrophobicContact CB-CE2 3.7Å; C41-F51 HydrophobicContact CB-CZ 4.43Å; C41-P52 HydrophobicContact CB-CG 4.4Å; C41-A172 HydrophobicContact CB-CB 3.53Å
42L94.5Very high91.9Very high4 Ų429 Ų292%0.02118%0.182CC..Hα-helixtrans-66.1-48.8178.1-73.8169.7000111.6G38 K39 F44 R45 F46 V106 V139 N141 T170 A172 V189G38-L42 WeakPolarHBondContact O-CG 3.37Å; G38-L42 PolarHBondContact O-N 3.29Å; K39-L42 PolarHBondContact O-N 3.5Å; K39-L42 VanDerWaalsContact O-N 3.12Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 2.81Å; L42-R45 PolarHBondContact O-N 3.22Å; L42-F46 PolarHBondContact O-N 3.45Å; L42-V106 HydrophobicContact CD1-CG1 3.8Å; L42-V106 HydrophobicContact CD1-CG2 4.11Å; L42-V139 HydrophobicContact CD1-CG1 4.16Å; L42-N141 HydrophobicContact CD1-CB 4.23Å; L42-T170 HydrophobicContact CD2-CG2 3.75Å; L42-A172 HydrophobicContact CD2-CB 3.86Å; L42-A172 HydrophobicContact CG-CB 4.09Å; L42-V189 HydrophobicContact CD2-CG1 4.26Å; L42-V189 HydrophobicContact CD2-CG2 3.84Å
43T94.8Very high91.3Very high0 Ų037.4 Ų37.40%022%0.221CC..Hα-helixtrans-65.1-40.3179.559.80000111.2V31 K39 T40 C47 L79 D81V31-T43 HydrophobicContact CB-CG2 4.25Å; V31-T43 HydrophobicContact CG2-CG2 3.66Å; K39-T43 WeakPolarHBondContact O-CG2 3.24Å; K39-T43 PolarHBondContact O-N 2.91Å; K39-T43 PolarHBondContact O-OG1 3.24Å; T40-T43 PolarHBondContact O-OG1 3.17Å; T43-C47 WeakPolarHBondContact O-CB 3.34Å; T43-C47 PolarHBondContact O-N 3.2Å; T43-C47 PolarHBondContact O-SG 3.29Å; T43-L79 HydrophobicContact CG2-CB 4Å; T43-L79 HydrophobicContact CG2-CD1 3.95Å; T43-D81 HydrophobicContact CG2-CB 4.2Å
44F92.9Very high90.7Very high28 Ų2846.2 Ų46.212%0.12326%0.259CS..Hα-helixtrans-64.6-45174.5-170.8-84.5000111.7T40 L42 F46 C47 A48 R50 P52 R64T40-F44 WeakPolarHBondContact O-CB 3.42Å; T40-F44 PolarHBondContact O-N 2.8Å; L42-F44 VanDerWaalsContact C-N 3.34Å; L42-F44 PolarHBondContact O-N 2.81Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-F46 PolarHBondContact O-N 3.35Å; F44-C47 PolarHBondContact O-N 3.14Å; F44-A48 HydrophobicContact CD1-CB 4.05Å; F44-A48 HydrophobicContact CE1-CB 3.72Å; F44-A48 HydrophobicContact CE2-CB 4.34Å; F44-A48 HydrophobicContact CZ-CB 3.85Å; F44-A48 WeakPolarHBondContact O-CA 3.46Å; F44-A48 VanDerWaalsContact O-CB 3.29Å; F44-A48 WeakPolarHBondContact O-CB 3.48Å; F44-A48 PolarHBondContact O-N 3Å; F44-R50 WeakPolarHBondContact CD1-O 3.24Å; F44-R50 HydrophobicContact CE1-CG 3.66Å; F44-R50 WeakPolarHBondContact CE1-O 3.48Å; F44-R50 HydrophobicContact CZ-CG 4.4Å; F44-P52 HydrophobicContact CD1-CB 4.06Å; F44-P52 HydrophobicContact CD1-CG 4.27Å; F44-P52 HydrophobicContact CE1-CB 4.24Å; F44-P52 HydrophobicContact CG-CB 4.27Å; F44-P52 HydrophobicContact CG-CG 4.44Å; F44-R64 VanDerWaalsContact CD2-CZ 3.49Å
45R91.8Very high90.1Very high16 Ų1648 Ų486%0.0627%0.271CS..Hα-helixtrans-58.3-46.6177.6173.863.574.7164.717.4111.3C41 L42 G49 A172 V189C41-R45 WeakPolarHBondContact O-CB 3.36Å; C41-R45 PolarHBondContact O-N 3.23Å; L42-R45 PolarHBondContact O-N 3.22Å; R45-G49 PolarHBondContact NH1-O 2.67Å; R45-G49 WeakPolarHBondContact O-CA 3.29Å; R45-G49 PolarHBondContact O-N 3.22Å; R45-A172 PolarHBondContact NE-O 2.97Å; R45-A172 PolarHBondContact NH2-O 3.08Å; R45-V189 HydrophobicContact CB-CG1 4.27Å; R45-V189 HydrophobicContact CG-CB 4.06Å; R45-V189 HydrophobicContact CG-CG1 3.94Å; R45-V189 HydrophobicContact CG-CG2 4.12Å
46F92.7Very high89.6Confident1 Ų153.2 Ų53.20%0.00429%0.289CS..Hα-helixtrans-63.9-44.6177.6178.8-104.5000112.3L42 F44 R66 V68 I77 L79 V189 E190 F193 M194L42-F46 PolarHBondContact O-N 3.45Å; F44-F46 VanDerWaalsContact C-N 3.34Å; F44-F46 PolarHBondContact O-N 3.35Å; F46-R66 HydrophobicContact CE1-CB 4.12Å; F46-R66 VanDerWaalsContact O-CD 3.31Å; F46-R66 WeakPolarHBondContact O-CD 3.18Å; F46-R66 PolarHBondContact O-NH1 3.12Å; F46-V68 HydrophobicContact CZ-CG1 4.29Å; F46-I77 HydrophobicContact CE1-CB 4.35Å; F46-I77 HydrophobicContact CE1-CD1 4.07Å; F46-I77 HydrophobicContact CE1-CG2 4.05Å; F46-I77 HydrophobicContact CZ-CD1 3.74Å; F46-L79 HydrophobicContact CB-CD1 4.19Å; F46-L79 HydrophobicContact CD1-CD1 3.58Å; F46-L79 HydrophobicContact CD1-CG 4.38Å; F46-L79 HydrophobicContact CE1-CD1 4.4Å; F46-L79 HydrophobicContact CG-CD1 4.24Å; F46-V189 HydrophobicContact CB-CG1 4.21Å; F46-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F46-E190 WeakPolarHBondContact CE2-OE2 3.42Å; F46-F193 HydrophobicContact CB-CD2 3.65Å; F46-F193 HydrophobicContact CB-CE2 3.93Å; F46-F193 HydrophobicContact CB-CG 4.4Å; F46-F193 HydrophobicContact CD1-CB 4.3Å; F46-F193 HydrophobicContact CD1-CD2 4.37Å; F46-F193 HydrophobicContact CD1-CG 4.3Å; F46-F193 HydrophobicContact CD2-CB 3.55Å; F46-F193 AromaticContact CD2-CD2 3.74Å; F46-F193 HydrophobicContact CD2-CD2 3.74Å; F46-F193 AromaticContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CE1-CB 4.18Å; F46-F193 HydrophobicContact CE2-CB 3.43Å; F46-F193 VanDerWaalsContact CE2-CB 3.43Å; F46-F193 HydrophobicContact CE2-CD2 4.5Å; F46-F193 HydrophobicContact CE2-CG 4.29Å; F46-F193 HydrophobicContact CG-CB 3.98Å; F46-F193 AromaticContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CE2 4.35Å; F46-F193 AromaticContact CG-CG 3.94Å; F46-F193 HydrophobicContact CG-CG 3.94Å; F46-F193 HydrophobicContact CZ-CB 3.76Å; F46-M194 HydrophobicContact CE2-CG 4.46Å
47C91.6Very high89.2Confident33 Ų3353.6 Ų53.622%0.22329%0.287CS..Hα-helixtrans-77.6-35.4-176.1-70.40000113.7T43 F44 R64T43-C47 WeakPolarHBondContact O-CB 3.34Å; T43-C47 PolarHBondContact O-N 3.2Å; T43-C47 PolarHBondContact O-SG 3.29Å; F44-C47 PolarHBondContact O-N 3.14Å; C47-R64 HydrophobicContact CB-CB 4.3Å; C47-R64 VanDerWaalsContact SG-CB 3.6Å
48A88.4Confident88.4Confident48 Ų4854.8 Ų54.840%0.39729%0.294SS..Hα-helixtrans-111.9-4.4-170.900000114.2F44 R50F44-A48 HydrophobicContact CD1-CB 4.05Å; F44-A48 HydrophobicContact CE1-CB 3.72Å; F44-A48 HydrophobicContact CE2-CB 4.34Å; F44-A48 HydrophobicContact CZ-CB 3.85Å; F44-A48 WeakPolarHBondContact O-CA 3.46Å; F44-A48 VanDerWaalsContact O-CB 3.29Å; F44-A48 WeakPolarHBondContact O-CB 3.48Å; F44-A48 PolarHBondContact O-N 3Å; A48-R50 HydrophobicContact CB-CG 4.44Å; A48-R50 PolarHBondContact O-N 2.73Å
49G85.8Confident87.8Confident42 Ų4260.7 Ų60.743%0.43332%0.321SS..SBendtrans69.7-4.8179.400000115.4R45R45-G49 PolarHBondContact NH1-O 2.67Å; R45-G49 WeakPolarHBondContact O-CA 3.29Å; R45-G49 PolarHBondContact O-N 3.22Å
50R84.7Confident87.1Confident129 Ų12960.6 Ų60.649%0.48732%0.323SS..SBendtrans-126.2161.8-175.473.8-169.5175.489.1-8.3111.8F44 A48F44-R50 WeakPolarHBondContact CD1-O 3.24Å; F44-R50 HydrophobicContact CE1-CG 3.66Å; F44-R50 WeakPolarHBondContact CE1-O 3.48Å; F44-R50 HydrophobicContact CZ-CG 4.4Å; A48-R50 HydrophobicContact CB-CG 4.44Å; A48-R50 PolarHBondContact O-N 2.73Å
51F85.9Confident86.6Confident73 Ų7360.9 Ų60.932%0.3232%0.324SS..  trans-79.4140.6170.8-166.6-107.8000110C41 A172 K173C41-F51 HydrophobicContact CB-CD2 4.32Å; C41-F51 HydrophobicContact CB-CE2 3.7Å; C41-F51 HydrophobicContact CB-CZ 4.43Å; F51-A172 HydrophobicContact CD2-CB 4.37Å; F51-A172 VanDerWaalsContact CD2-O 3.27Å; F51-A172 WeakPolarHBondContact CD2-O 3.42Å; F51-A172 HydrophobicContact CE2-CB 4.13Å; F51-K173 VanDerWaalsContact CD2-CA 3.5Å; F51-K173 HydrophobicContact CD2-CB 4.1Å; F51-K173 HydrophobicContact CD2-CG 4.45Å; F51-K173 HydrophobicContact CE1-CG 4.31Å; F51-K173 HydrophobicContact CE2-CB 3.75Å; F51-K173 HydrophobicContact CE2-CG 4.22Å; F51-K173 HydrophobicContact CZ-CB 4.1Å; F51-K173 HydrophobicContact CZ-CG 4.15Å
52P85.4Confident86.3Confident12 Ų1262.9 Ų62.98%0.07833%0.334CS..  trans-67.3135.917427.3-34.2000111.2C41 F44 K54 T55C41-P52 HydrophobicContact CB-CG 4.4Å; F44-P52 HydrophobicContact CD1-CB 4.06Å; F44-P52 HydrophobicContact CD1-CG 4.27Å; F44-P52 HydrophobicContact CE1-CB 4.24Å; F44-P52 HydrophobicContact CG-CB 4.27Å; F44-P52 HydrophobicContact CG-CG 4.44Å; P52-K54 VanDerWaalsContact C-N 3.33Å; P52-T55 HydrophobicContact CB-CG2 3.89Å; P52-T55 HydrophobicContact CG-CG2 3.42Å; P52-T55 VanDerWaalsContact CG-CG2 3.42Å
53E81.5Confident86Confident176 Ų17666.8 Ų66.882%0.82235%0.351SS*.SBendtrans-69.2-32.7178.6-68.9173.2-160.100112.7
54K82.5Confident85.9Confident185 Ų18569.8 Ų69.880%0.80436%0.362SS*.  trans-138.1135.7175.7-63.9-178.2-177.2178.20108.4P52P52-K54 VanDerWaalsContact C-N 3.33Å
55T81.7Confident86Confident75 Ų7572.9 Ų72.946%0.4638%0.377SS..  trans-122.3121.6171.3420000109.2P52P52-T55 HydrophobicContact CB-CG2 3.89Å; P52-T55 HydrophobicContact CG-CG2 3.42Å; P52-T55 VanDerWaalsContact CG-CG2 3.42Å
56E81.4Confident86.1Confident175 Ų17575.6 Ų75.682%0.81839%0.387SS*.PPolyproline II helixtrans-95.3163.4170.5-61.7-173.2159.100109.7T58E56-T58 PolarHBondContact O-N 2.87Å
57A83.4Confident86.2Confident63 Ų6380.3 Ų80.352%0.52141%0.412SS..PPolyproline II helixtrans-64.6124175.600000109.8I59A57-I59 PolarHBondContact O-N 3.05Å
58T80Confident86.4Confident27 Ų2779.2 Ų79.217%0.16640%0.404CS..PPolyproline II helixtrans-59.5124.5175.3-45.90000109.9T40 E56 D62 D81 A83T40-T58 PolarHBondContact OG1-OG1 2.82Å; T40-T58 VanDerWaalsContact OG1-OG1 3.06Å; E56-T58 PolarHBondContact O-N 2.87Å; T58-D62 HydrophobicContact CG2-CB 4.19Å; T58-D81 PolarHBondContact OG1-OD2 3.09Å; T58-A83 WeakPolarHBondContact O-CB 3.09Å
59I80.3Confident86.6Confident137 Ų13783 Ų8370%0.70341%0.414SS*.  trans-97.6115.4173.2-58.2176000107.3A57 V61A57-I59 PolarHBondContact O-N 3.05Å; I59-V61 PolarHBondContact O-N 2.86Å
60G80.4Confident86.9Confident6 Ų681.1 Ų81.16%0.06239%0.394CS..SBendtrans73.4-108.4-177.200000112.5A83 F88G60-A83 VanDerWaalsContact O-CB 3.29Å; G60-A83 WeakPolarHBondContact O-CB 3.39Å; G60-A83 PolarHBondContact O-N 3.03Å; G60-F88 WeakPolarHBondContact CA-O 3.47Å
61V84.3Confident87.1Confident36 Ų3680.8 Ų80.822%0.21840%0.402CS..EExtended strand (participates in β ladder)trans-143.1131.5-177.665.70000110.6I59 W80 D81 T82 M92I59-V61 PolarHBondContact O-N 2.86Å; V61-W80 HydrophobicContact CG2-CB 4.35Å; V61-W80 HydrophobicContact CG2-CE3 3.84Å; V61-D81 CarbonylContact C-O 3.57Å; V61-D81 VanDerWaalsContact CA-O 3.32Å; V61-D81 WeakPolarHBondContact CA-O 3.22Å; V61-D81 WeakPolarHBondContact CG2-O 3.38Å; V61-T82 HydrophobicContact CG2-CG2 4.41Å; V61-M92 HydrophobicContact CG1-CE 3.83Å; V61-M92 HydrophobicContact CG1-SD 4.19Å
62D88.7Confident87.3Confident55 Ų5580.5 Ų80.529%0.29442%0.419SS..EExtended strand (participates in β ladder)trans-101.1144.9170.8-172.422.6000109.5T58 R64 D81T58-D62 HydrophobicContact CG2-CB 4.19Å; D62-R64 IonicContact OD2-CZ 3.71Å; D62-R64 IonicContact OD2-NE 3.57Å; D62-R64 PolarHBondContact OD2-NE 2.73Å; D62-R64 IonicContact OD2-NH2 3Å; D62-R64 PolarHBondContact OD2-NH2 2.86Å; D62-D81 HydrophobicContact CB-CB 4.25Å; D62-D81 PolarHBondContact N-O 2.96Å; D62-D81 PolarHBondContact O-N 3.32Å
63F88.1Confident87.6Confident85 Ų8582.4 Ų82.437%0.37343%0.427SS..EExtended strand (participates in β ladder)trans-121.2125.8-173.9171.6-95000110.1E65 Q78 W80F63-E65 HydrophobicContact CE1-CB 4.29Å; F63-E65 HydrophobicContact CE1-CG 4.22Å; F63-E65 HydrophobicContact CZ-CB 4.12Å; F63-E65 HydrophobicContact CZ-CG 4.45Å; F63-Q78 HydrophobicContact CE2-CB 3.73Å; F63-Q78 VanDerWaalsContact CE2-CD 3.5Å; F63-Q78 HydrophobicContact CE2-CG 3.61Å; F63-Q78 HydrophobicContact CZ-CB 4.26Å; F63-Q78 HydrophobicContact CZ-CG 3.66Å; F63-W80 HydrophobicContact CD2-CD2 4.34Å; F63-W80 AromaticContact CD2-CE2 3.81Å; F63-W80 HydrophobicContact CD2-CZ2 4.16Å; F63-W80 AromaticContact CD2-NE1 3.67Å; F63-W80 HydrophobicContact CE2-CZ2 4.4Å; F63-W80 AromaticContact CE2-NE1 3.72Å
64R93.1Very high88.1Confident64 Ų6480.1 Ų80.124%0.24241%0.414CS..EExtended strand (participates in β ladder)trans-130.6143.2176.2-60.4-179.8178.7-76.7-18.5109.9F44 C47 D62 Q78 L79F44-R64 VanDerWaalsContact CD2-CZ 3.49Å; C47-R64 HydrophobicContact CB-CB 4.3Å; C47-R64 VanDerWaalsContact SG-CB 3.6Å; D62-R64 IonicContact OD2-CZ 3.71Å; D62-R64 IonicContact OD2-NE 3.57Å; D62-R64 PolarHBondContact OD2-NE 2.73Å; D62-R64 IonicContact OD2-NH2 3Å; D62-R64 PolarHBondContact OD2-NH2 2.86Å; R64-Q78 CarbonylContact O-C 3.59Å; R64-Q78 WeakPolarHBondContact O-CA 3.41Å; R64-L79 PolarHBondContact N-O 3.33Å; R64-L79 PolarHBondContact O-N 2.82Å
65E95.1Very high88.7Confident93 Ų9371.3 Ų71.344%0.43538%0.376SS..EExtended strand (participates in β ladder)trans-128.9146.9174.261.8175-133.600112F63 K76 I77 Q78F63-E65 HydrophobicContact CE1-CB 4.29Å; F63-E65 HydrophobicContact CE1-CG 4.22Å; F63-E65 HydrophobicContact CZ-CB 4.12Å; F63-E65 HydrophobicContact CZ-CG 4.45Å; E65-K76 HydrophobicContact CB-CG 4.33Å; E65-K76 VanDerWaalsContact CD-NZ 3.3Å; E65-K76 IonicContact OE1-NZ 3.89Å; E65-K76 PolarHBondContact OE1-NZ 3.03Å; E65-K76 WeakPolarHBondContact OE2-CD 3.2Å; E65-K76 IonicContact OE2-NZ 4Å; E65-K76 PolarHBondContact OE2-NZ 3.18Å; E65-K76 VanDerWaalsContact OE2-NZ 3.12Å; E65-I77 CarbonylContact C-O 3.56Å; E65-I77 WeakPolarHBondContact CA-O 3.37Å; E65-Q78 HydrophobicContact CB-CG 4.24Å
66R94.1Very high89.4Confident73 Ų7370.3 Ų70.328%0.27537%0.365SS..EExtended strand (participates in β ladder)trans-137.6129.9171.9-177.9171.1171.2-156.6-12109F46 V68 I77 E190F46-R66 HydrophobicContact CE1-CB 4.12Å; F46-R66 VanDerWaalsContact O-CD 3.31Å; F46-R66 WeakPolarHBondContact O-CD 3.18Å; F46-R66 PolarHBondContact O-NH1 3.12Å; R66-V68 HydrophobicContact CG-CG1 4.08Å; R66-I77 PolarHBondContact N-O 3.37Å; R66-I77 PolarHBondContact O-N 3.31Å; R66-E190 IonicContact CZ-OE1 2.72Å; R66-E190 VanDerWaalsContact CZ-OE1 3.26Å; R66-E190 IonicContact CZ-OE2 2.67Å; R66-E190 VanDerWaalsContact NH1-CD 3.26Å; R66-E190 IonicContact NH1-OE1 3.87Å; R66-E190 PolarHBondContact NH1-OE1 3.47Å; R66-E190 IonicContact NH1-OE2 3.44Å; R66-E190 PolarHBondContact NH1-OE2 3.18Å; R66-E190 IonicContact NH2-OE1 3.66Å; R66-E190 PolarHBondContact NH2-OE1 3.45Å; R66-E190 IonicContact NH2-OE2 2.82Å
67L94.8Very high90.1Very high99 Ų9962 Ų6252%0.51833%0.326SS..EExtended strand (participates in β ladder)trans-82.1125.1170.2-167.871.5000108.2T24 K74 K76T24-L67 HydrophobicContact CG2-CD1 3.91Å; L67-K74 HydrophobicContact CD1-CB 4.29Å; L67-K74 HydrophobicContact CD2-CD 4.36Å; L67-K76 HydrophobicContact CD1-CB 4.25Å
68V94.1Very high90.7Very high11 Ų1160.4 Ų60.47%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-122.7157.8176.2-60.30000109.5F46 R66 I70 K74 I75 I77 M194F46-V68 HydrophobicContact CZ-CG1 4.29Å; R66-V68 HydrophobicContact CG-CG1 4.08Å; V68-I70 HydrophobicContact CG2-CD1 3.95Å; V68-I70 HydrophobicContact CG2-CG1 4.02Å; V68-K74 WeakPolarHBondContact O-CA 3.3Å; V68-I75 HydrophobicContact CG2-CB 4.34Å; V68-I75 WeakPolarHBondContact CG2-O 3.19Å; V68-I75 PolarHBondContact N-O 3Å; V68-I75 PolarHBondContact O-N 2.95Å; V68-I77 HydrophobicContact CB-CD1 4.41Å; V68-I77 HydrophobicContact CG1-CD1 3.96Å; V68-I77 HydrophobicContact CG2-CD1 3.55Å; V68-I77 HydrophobicContact CG2-CG1 3.95Å; V68-M194 HydrophobicContact CB-CE 4.48Å; V68-M194 HydrophobicContact CB-SD 4.23Å; V68-M194 HydrophobicContact CG1-SD 4.03Å; V68-M194 HydrophobicContact CG2-SD 4.42Å
69E93.2Very high91.4Very high127 Ų12759.1 Ų59.159%0.59330%0.3SS*.EExtended strand (participates in β ladder)trans-111.4122.9172.9-168.6171.7146.900108.8E73E69-E73 WeakPolarHBondContact CA-O 3.22Å
70I91.8Very high92.1Very high2 Ų255.1 Ų55.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-128120-178.3-61.3-177.6000106.9V68 G72 E73 I75 M194 A197 H198 K201V68-I70 HydrophobicContact CG2-CD1 3.95Å; V68-I70 HydrophobicContact CG2-CG1 4.02Å; I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.01Å; I70-E73 PolarHBondContact N-O 3.33Å; I70-E73 PolarHBondContact O-N 3.41Å; I70-I75 HydrophobicContact CB-CD1 4.2Å; I70-I75 HydrophobicContact CD1-CD1 4.36Å; I70-M194 HydrophobicContact CD1-CE 4.05Å; I70-M194 HydrophobicContact CG1-CE 3.81Å; I70-A197 HydrophobicContact CD1-CB 3.43Å; I70-A197 VanDerWaalsContact CD1-CB 3.43Å; I70-H198 VanDerWaalsContact CG2-CE1 3.42Å; I70-H198 WeakPolarHBondContact CG2-CE1 3.23Å; I70-H198 WeakPolarHBondContact CG2-ND1 3.23Å; I70-K201 HydrophobicContact CB-CD 4.11Å; I70-K201 HydrophobicContact CG2-CD 3.5Å; I70-K201 PolarHBondContact O-NZ 3.11Å
71D90.4Very high92.6Very high123 Ų12354.9 Ų54.966%0.65827%0.274SS*.THydrogen-bonded Turntrans37.254.2-172.6-21.6-63.9000113.4E73 H198 K201D71-E73 PolarHBondContact O-N 3.42Å; D71-H198 IonicContact OD1-CE1 3.88Å; D71-K201 PolarHBondContact O-NZ 2.88Å; D71-K201 IonicContact OD2-NZ 3.26Å; D71-K201 PolarHBondContact OD2-NZ 3.37Å
72G89.4Confident92.8Very high66 Ų6653.2 Ų53.268%0.6826%0.263SS*.THydrogen-bonded Turntrans74.10.8177.800000116I70I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.01Å
73E91.4Very high92.6Very high52 Ų5250.6 Ų50.624%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-102.4127.2175.6-172.2177.7-177.700110.6R25 E69 I70 D71 I75 K201R25-E73 WeakPolarHBondContact CD-OE1 3.44Å; R25-E73 WeakPolarHBondContact CG-OE1 3.37Å; R25-E73 IonicContact CZ-OE1 3.12Å; R25-E73 IonicContact CZ-OE2 2.76Å; R25-E73 IonicContact NE-OE1 3.34Å; R25-E73 PolarHBondContact NE-OE1 2.85Å; E69-E73 WeakPolarHBondContact CA-O 3.22Å; I70-E73 PolarHBondContact N-O 3.33Å; I70-E73 PolarHBondContact O-N 3.41Å; D71-E73 PolarHBondContact O-N 3.42Å; E73-I75 HydrophobicContact CB-CG1 4.44Å; E73-I75 HydrophobicContact CG-CD1 4.49Å; E73-I75 HydrophobicContact CG-CG1 4.02Å; E73-I75 PolarHBondContact O-N 2.83Å; E73-K201 WeakPolarHBondContact OE2-CE 3.29Å
74K93Very high91.8Very high128 Ų12847.1 Ų47.156%0.55724%0.237SC*.EExtended strand (participates in β ladder)trans-77.2117.6171.4-68.1-177.5179.5-179.10109.7L67 V68L67-K74 HydrophobicContact CD1-CB 4.29Å; L67-K74 HydrophobicContact CD2-CD 4.36Å; V68-K74 WeakPolarHBondContact O-CA 3.3Å
75I94.6Very high90.6Very high0 Ų047.1 Ų47.10%024%0.24CC..EExtended strand (participates in β ladder)trans-121.6133.6-178-60.7-179.8000108.8F27 V68 I70 E73 K201F27-I75 HydrophobicContact CD2-CG2 3.48Å; F27-I75 VanDerWaalsContact CD2-CG2 3.48Å; F27-I75 HydrophobicContact CE2-CD1 3.81Å; F27-I75 HydrophobicContact CE2-CG2 3.64Å; F27-I75 HydrophobicContact CG-CG2 4.08Å; F27-I75 HydrophobicContact CZ-CD1 4.23Å; F27-I75 HydrophobicContact CZ-CG2 4.34Å; V68-I75 HydrophobicContact CG2-CB 4.34Å; V68-I75 WeakPolarHBondContact CG2-O 3.19Å; V68-I75 PolarHBondContact N-O 3Å; V68-I75 PolarHBondContact O-N 2.95Å; I70-I75 HydrophobicContact CB-CD1 4.2Å; I70-I75 HydrophobicContact CD1-CD1 4.36Å; E73-I75 HydrophobicContact CB-CG1 4.44Å; E73-I75 HydrophobicContact CG-CD1 4.49Å; E73-I75 HydrophobicContact CG-CG1 4.02Å; E73-I75 PolarHBondContact O-N 2.83Å; I75-K201 HydrophobicContact CD1-CB 4.29Å; I75-K201 HydrophobicContact CD1-CD 3.9Å; I75-K201 HydrophobicContact CD1-CG 4.06Å
76K95.6Very high89Confident54 Ų5448.5 Ų48.524%0.23525%0.247CC..EExtended strand (participates in β ladder)trans-92.3112.9174.8-179.5-178.9-75.6-146.60109.4T24 R25 I26 F27 E65 L67 Q78T24-K76 HydrophobicContact CG2-CB 4.04Å; R25-K76 PolarHBondContact O-N 3.31Å; I26-K76 CarbonylContact C-O 3.57Å; I26-K76 VanDerWaalsContact CA-O 3.3Å; I26-K76 WeakPolarHBondContact CA-O 3.31Å; I26-K76 HydrophobicContact CD1-CD 4.37Å; I26-K76 HydrophobicContact CG1-CB 4.28Å; I26-K76 HydrophobicContact CG1-CD 4.31Å; F27-K76 PolarHBondContact N-O 3.47Å; E65-K76 HydrophobicContact CB-CG 4.33Å; E65-K76 VanDerWaalsContact CD-NZ 3.3Å; E65-K76 IonicContact OE1-NZ 3.89Å; E65-K76 PolarHBondContact OE1-NZ 3.03Å; E65-K76 WeakPolarHBondContact OE2-CD 3.2Å; E65-K76 IonicContact OE2-NZ 4Å; E65-K76 PolarHBondContact OE2-NZ 3.18Å; E65-K76 VanDerWaalsContact OE2-NZ 3.12Å; L67-K76 HydrophobicContact CD1-CB 4.25Å; K76-Q78 HydrophobicContact CD-CG 4.41Å; K76-Q78 HydrophobicContact CG-CG 4.31Å
77I96.4Very high87.4Confident0 Ų054 Ų540%027%0.268CS..EExtended strand (participates in β ladder)trans-86.7127.9170.6-64.3169.9000108.1I29 F46 E65 R66 V68 L79 A197I29-I77 HydrophobicContact CD1-CG2 3.83Å; I29-I77 HydrophobicContact CG1-CG2 4.46Å; F46-I77 HydrophobicContact CE1-CB 4.35Å; F46-I77 HydrophobicContact CE1-CD1 4.07Å; F46-I77 HydrophobicContact CE1-CG2 4.05Å; F46-I77 HydrophobicContact CZ-CD1 3.74Å; E65-I77 CarbonylContact C-O 3.56Å; E65-I77 WeakPolarHBondContact CA-O 3.37Å; R66-I77 PolarHBondContact N-O 3.37Å; R66-I77 PolarHBondContact O-N 3.31Å; V68-I77 HydrophobicContact CB-CD1 4.41Å; V68-I77 HydrophobicContact CG1-CD1 3.96Å; V68-I77 HydrophobicContact CG2-CD1 3.55Å; V68-I77 HydrophobicContact CG2-CG1 3.95Å; I77-L79 HydrophobicContact CG2-CD2 3.72Å; I77-L79 HydrophobicContact CG2-CG 4.16Å; I77-A197 HydrophobicContact CD1-CB 3.65Å; I77-A197 HydrophobicContact CG1-CB 4.26Å
78Q95.7Very high85.8Confident31 Ų3153.2 Ų53.215%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-113.4111.2175.4-74.8-173.5-1400109.3I26 F27 I29 F63 R64 E65 K76I26-Q78 HydrophobicContact CG2-CB 4.34Å; I26-Q78 HydrophobicContact CG2-CG 3.66Å; F27-Q78 PolarHBondContact O-N 3.31Å; I29-Q78 PolarHBondContact N-O 3.45Å; F63-Q78 HydrophobicContact CE2-CB 3.73Å; F63-Q78 VanDerWaalsContact CE2-CD 3.5Å; F63-Q78 HydrophobicContact CE2-CG 3.61Å; F63-Q78 HydrophobicContact CZ-CB 4.26Å; F63-Q78 HydrophobicContact CZ-CG 3.66Å; R64-Q78 CarbonylContact O-C 3.59Å; R64-Q78 WeakPolarHBondContact O-CA 3.41Å; E65-Q78 HydrophobicContact CB-CG 4.24Å; K76-Q78 HydrophobicContact CD-CG 4.41Å; K76-Q78 HydrophobicContact CG-CG 4.31Å
79L95.6Very high84.4Confident0 Ų053.5 Ų53.50%026%0.26CS..EExtended strand (participates in β ladder)trans-94.2122.6175.7-58.6-172.3000109.8I29 T43 F46 R64 I77 F193I29-L79 HydrophobicContact CB-CD2 3.86Å; I29-L79 HydrophobicContact CD1-CD2 4.14Å; I29-L79 HydrophobicContact CG1-CD2 4.43Å; I29-L79 HydrophobicContact CG2-CD2 4.28Å; I29-L79 WeakPolarHBondContact O-CA 3.41Å; T43-L79 HydrophobicContact CG2-CB 4Å; T43-L79 HydrophobicContact CG2-CD1 3.95Å; F46-L79 HydrophobicContact CB-CD1 4.19Å; F46-L79 HydrophobicContact CD1-CD1 3.58Å; F46-L79 HydrophobicContact CD1-CG 4.38Å; F46-L79 HydrophobicContact CE1-CD1 4.4Å; F46-L79 HydrophobicContact CG-CD1 4.24Å; R64-L79 PolarHBondContact N-O 3.33Å; R64-L79 PolarHBondContact O-N 2.82Å; I77-L79 HydrophobicContact CG2-CD2 3.72Å; I77-L79 HydrophobicContact CG2-CG 4.16Å; L79-F193 HydrophobicContact CD1-CD1 4.35Å; L79-F193 HydrophobicContact CD1-CE1 4.03Å; L79-F193 HydrophobicContact CD1-CZ 4.12Å; L79-F193 HydrophobicContact CD2-CD1 3.76Å; L79-F193 HydrophobicContact CD2-CE1 3.63Å; L79-F193 HydrophobicContact CD2-CZ 4.49Å
80W93.9Very high83.1Confident53 Ų5355 Ų5520%0.20127%0.265CS..EExtended strand (participates in β ladder)trans-105.197.2176.7-71.464.6000108.4K28 I29 I30 V31 V61 F63K28-W80 HydrophobicContact CD-CD2 4.41Å; K28-W80 HydrophobicContact CD-CZ2 4.19Å; K28-W80 VanDerWaalsContact CE-CE2 3.42Å; K28-W80 HydrophobicContact CG-CG 4.37Å; I29-W80 PolarHBondContact O-N 2.87Å; I30-W80 HydrophobicContact CB-CB 4.49Å; I30-W80 HydrophobicContact CG2-CB 3.82Å; I30-W80 HydrophobicContact CG2-CG 4.37Å; V31-W80 PolarHBondContact N-O 2.96Å; V61-W80 HydrophobicContact CG2-CB 4.35Å; V61-W80 HydrophobicContact CG2-CE3 3.84Å; F63-W80 HydrophobicContact CD2-CD2 4.34Å; F63-W80 AromaticContact CD2-CE2 3.81Å; F63-W80 HydrophobicContact CD2-CZ2 4.16Å; F63-W80 AromaticContact CD2-NE1 3.67Å; F63-W80 HydrophobicContact CE2-CZ2 4.4Å; F63-W80 AromaticContact CE2-NE1 3.72Å
81D91.8Very high82Confident1 Ų159.8 Ų59.81%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-80.5113.5177.7177.137.3000110K39 T40 T43 T58 V61 D62K39-D81 WeakPolarHBondContact CB-OD1 3.12Å; T40-D81 VanDerWaalsContact CA-OD2 3.31Å; T40-D81 WeakPolarHBondContact CA-OD2 3.47Å; T40-D81 VanDerWaalsContact CB-OD2 3.26Å; T40-D81 WeakPolarHBondContact CB-OD2 3.06Å; T40-D81 PolarHBondContact N-OD1 2.91Å; T40-D81 PolarHBondContact OG1-OD2 2.89Å; T43-D81 HydrophobicContact CG2-CB 4.2Å; T58-D81 PolarHBondContact OG1-OD2 3.09Å; V61-D81 CarbonylContact C-O 3.57Å; V61-D81 VanDerWaalsContact CA-O 3.32Å; V61-D81 WeakPolarHBondContact CA-O 3.22Å; V61-D81 WeakPolarHBondContact CG2-O 3.38Å; D62-D81 HydrophobicContact CB-CB 4.25Å; D62-D81 PolarHBondContact N-O 2.96Å; D62-D81 PolarHBondContact O-N 3.32Å
82T88.9Confident81.2Confident0 Ų057.1 Ų57.10%028%0.282CS..EExtended strand (participates in β ladder)trans-94.6147.4-17664.90000112.2V31 I32 K39 V61 G84 Y96V31-T82 PolarHBondContact O-N 2.97Å; V31-T82 PolarHBondContact O-OG1 2.88Å; I32-T82 HydrophobicContact CG2-CG2 4.01Å; K39-T82 WeakPolarHBondContact CE-O 3.3Å; K39-T82 PolarHBondContact NZ-O 3.46Å; V61-T82 HydrophobicContact CG2-CG2 4.41Å; T82-G84 PolarHBondContact O-N 2.88Å; T82-Y96 HydrophobicContact CG2-CD1 4.29Å; T82-Y96 HydrophobicContact CG2-CD2 3.94Å; T82-Y96 HydrophobicContact CG2-CE1 4.33Å; T82-Y96 HydrophobicContact CG2-CE2 4Å; T82-Y96 HydrophobicContact CG2-CG 4.1Å
83A83.8Confident80.7Confident0 Ų054.9 Ų54.90%026%0.256CS..  trans-62.213217200000111.3T58 G60 Q85 F88 R89T58-A83 WeakPolarHBondContact O-CB 3.09Å; G60-A83 VanDerWaalsContact O-CB 3.29Å; G60-A83 WeakPolarHBondContact O-CB 3.39Å; G60-A83 PolarHBondContact O-N 3.03Å; A83-Q85 VanDerWaalsContact C-N 3.31Å; A83-Q85 PolarHBondContact O-N 3.03Å; A83-F88 HydrophobicContact CB-CB 4Å; A83-R89 HydrophobicContact CB-CG 3.99Å; A83-R89 WeakPolarHBondContact O-CD 3.25Å; A83-R89 VanDerWaalsContact O-CG 3.24Å; A83-R89 WeakPolarHBondContact O-CG 3.32Å; A83-R89 PolarHBondContact O-NE 2.76Å
84G70.9Confident80Confident12 Ų1259.7 Ų59.712%0.12428%0.278CS..SBendtrans-70.8-27.5177.100000113.6G33 T82 R89G33-G84 WeakPolarHBondContact O-CA 3.37Å; T82-G84 PolarHBondContact O-N 2.88Å; G84-R89 PolarHBondContact O-NH2 3.24Å
85Q68.6Low79.4Confident64 Ų6459.6 Ų59.630%0.29928%0.279SS..SBendtrans-80.3125.3179.2-69.9-166.741.900111.7A83 R87 F88A83-Q85 VanDerWaalsContact C-N 3.31Å; A83-Q85 PolarHBondContact O-N 3.03Å; Q85-R87 PolarHBondContact O-N 3.43Å; Q85-R87 VanDerWaalsContact OE1-NH2 3.07Å; Q85-F88 HydrophobicContact CB-CD2 3.84Å; Q85-F88 HydrophobicContact CB-CE2 4.24Å; Q85-F88 PolarHBondContact O-N 2.86Å; Q85-F88 VanDerWaalsContact O-N 3.15Å
86E60.7Low78.8Confident122 Ų12259.7 Ų59.757%0.5728%0.28SS*.Hα-helixtrans-51.9-37.2176.362.4-174.8130.800113.5F88 R89 K90E86-F88 PolarHBondContact O-N 2.79Å; E86-R89 PolarHBondContact O-N 3.29Å; E86-K90 PolarHBondContact O-N 3.03Å
87R61Low78.4Confident189 Ų18957.4 Ų57.471%0.71327%0.27SS*.Hα-helixtrans-61.6-29.9-177.6-69.2-174.6-68.4-172.6-2.1112.9Q85Q85-R87 PolarHBondContact O-N 3.43Å; Q85-R87 VanDerWaalsContact OE1-NH2 3.07Å
88F60.7Low77.9Confident83 Ų8365.9 Ų65.936%0.36430%0.302SS..Hα-helixtrans-93.7-6.8179.2-55.6-47.8000113G60 A83 Q85 E86G60-F88 WeakPolarHBondContact CA-O 3.47Å; A83-F88 HydrophobicContact CB-CB 4Å; Q85-F88 HydrophobicContact CB-CD2 3.84Å; Q85-F88 HydrophobicContact CB-CE2 4.24Å; Q85-F88 PolarHBondContact O-N 2.86Å; Q85-F88 VanDerWaalsContact O-N 3.15Å; E86-F88 PolarHBondContact O-N 2.79Å
89R64.4Low77.5Confident17 Ų1770.1 Ų70.16%0.06433%0.326CS..Hα-helixtrans-102.2-30.4-176.5-75-168.7-76.9127.20.5114.9A83 G84 E86 S91 M92 V93 W121 E124A83-R89 HydrophobicContact CB-CG 3.99Å; A83-R89 WeakPolarHBondContact O-CD 3.25Å; A83-R89 VanDerWaalsContact O-CG 3.24Å; A83-R89 WeakPolarHBondContact O-CG 3.32Å; A83-R89 PolarHBondContact O-NE 2.76Å; G84-R89 PolarHBondContact O-NH2 3.24Å; E86-R89 PolarHBondContact O-N 3.29Å; R89-S91 PolarHBondContact O-N 2.94Å; R89-M92 PolarHBondContact O-N 2.92Å; R89-V93 HydrophobicContact CB-CG2 4.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.46Å; R89-V93 PolarHBondContact O-N 3.42Å; R89-V93 VanDerWaalsContact O-N 3.17Å; R89-W121 VanDerWaalsContact NE-CH2 3.34Å; R89-E124 IonicContact CZ-OE2 3.63Å; R89-E124 IonicContact NH1-OE1 3.05Å; R89-E124 PolarHBondContact NH1-OE1 3.12Å; R89-E124 IonicContact NH1-OE2 2.73Å; R89-E124 PolarHBondContact NH1-OE2 2.83Å
90K67.5Low77.3Confident159 Ų15970.7 Ų70.769%0.69133%0.329SS*.THydrogen-bonded Turntrans-50.3-34.3-167.3-78.5-176.1-177.4-178.90115.3E86E86-K90 PolarHBondContact O-N 3.03Å
91S68.3Low77.3Confident102 Ų10271.5 Ų71.571%0.71334%0.335SS*.THydrogen-bonded Turntrans-85.6-15.3178.354.10000114.8R89R89-S91 PolarHBondContact O-N 2.94Å
92M73.4Confident77.4Confident66 Ų6671.5 Ų71.533%0.32534%0.335SS..THydrogen-bonded Turntrans-109.7-10.1-172.3-58.8-156.88000114.2V61 R89 Q94 H95 Y96V61-M92 HydrophobicContact CG1-CE 3.83Å; V61-M92 HydrophobicContact CG1-SD 4.19Å; R89-M92 PolarHBondContact O-N 2.92Å; M92-Q94 PolarHBondContact O-N 2.94Å; M92-H95 WeakPolarHBondContact O-CB 3.28Å; M92-H95 PolarHBondContact O-N 2.94Å; M92-Y96 HydrophobicContact CB-CD1 4.33Å; M92-Y96 WeakPolarHBondContact O-CD1 3.37Å; M92-Y96 PolarHBondContact O-N 2.81Å
93V77.9Confident77.7Confident20 Ų2071.5 Ų71.512%0.12134%0.335CS..Hα-helixtrans-48-53-175.1-168.30000113R89 H95 Y96 Y97 H128R89-V93 HydrophobicContact CB-CG2 4.32Å; R89-V93 WeakPolarHBondContact O-CG2 3.46Å; R89-V93 PolarHBondContact O-N 3.42Å; R89-V93 VanDerWaalsContact O-N 3.17Å; V93-H95 PolarHBondContact O-N 2.85Å; V93-Y96 HydrophobicContact CB-CE1 4.29Å; V93-Y96 HydrophobicContact CG1-CE2 4.49Å; V93-Y96 HydrophobicContact CG2-CE1 4.38Å; V93-Y96 PolarHBondContact O-N 2.86Å; V93-Y97 HydrophobicContact CG1-CD2 3.67Å; V93-Y97 HydrophobicContact CG1-CE2 3.55Å; V93-Y97 VanDerWaalsContact O-CD2 3.27Å; V93-Y97 WeakPolarHBondContact O-CD2 3.19Å; V93-Y97 PolarHBondContact O-N 2.97Å; V93-H128 WeakPolarHBondContact CG1-CE1 3.36Å; V93-H128 WeakPolarHBondContact CG1-NE2 3.34Å
94Q77Confident78.3Confident153 Ų15371.6 Ų71.672%0.71534%0.335SS*.Hα-helixtrans-60.5-32.6-179.4-65.4180-11.800113.4M92 R98M92-Q94 PolarHBondContact O-N 2.94Å; Q94-R98 PolarHBondContact O-N 3.09Å
95H80.6Confident79.6Confident126 Ų12671 Ų7158%0.58333%0.33SS*.Hα-helixtrans-74-42.6-175.6-65.883.3000111.6K28 M92 V93K28-H95 PolarHBondContact NZ-O 2.81Å; M92-H95 WeakPolarHBondContact O-CB 3.28Å; M92-H95 PolarHBondContact O-N 2.94Å; V93-H95 PolarHBondContact O-N 2.85Å
96Y82.9Confident81Confident1 Ų168 Ų680%0.00432%0.315CS..Hα-helixtrans-79.2-27.8-178.163.7-109.7000113K28 I30 T82 M92 V93 V100 E124K28-Y96 WeakPolarHBondContact CE-O 3.42Å; K28-Y96 PolarHBondContact NZ-O 2.93Å; I30-Y96 WeakPolarHBondContact CG2-O 3.42Å; T82-Y96 HydrophobicContact CG2-CD1 4.29Å; T82-Y96 HydrophobicContact CG2-CD2 3.94Å; T82-Y96 HydrophobicContact CG2-CE1 4.33Å; T82-Y96 HydrophobicContact CG2-CE2 4Å; T82-Y96 HydrophobicContact CG2-CG 4.1Å; M92-Y96 HydrophobicContact CB-CD1 4.33Å; M92-Y96 WeakPolarHBondContact O-CD1 3.37Å; M92-Y96 PolarHBondContact O-N 2.81Å; V93-Y96 HydrophobicContact CB-CE1 4.29Å; V93-Y96 HydrophobicContact CG1-CE2 4.49Å; V93-Y96 HydrophobicContact CG2-CE1 4.38Å; V93-Y96 PolarHBondContact O-N 2.86Å; Y96-V100 WeakPolarHBondContact O-CG2 3.32Å; Y96-E124 PolarHBondContact OH-OE1 3.18Å
97Y86.5Confident82.8Confident7 Ų762.2 Ų62.23%0.02729%0.288CS..Hα-helixtrans-76.5-18173.9-76-69.6000114.7I30 V93 N99 V100 E124 C125 H128 L130I30-Y97 HydrophobicContact CD1-CD1 3.43Å; I30-Y97 VanDerWaalsContact CD1-CD1 3.43Å; I30-Y97 HydrophobicContact CD1-CE1 3.26Å; I30-Y97 HydrophobicContact CD1-CG 4.49Å; V93-Y97 HydrophobicContact CG1-CD2 3.67Å; V93-Y97 HydrophobicContact CG1-CE2 3.55Å; V93-Y97 VanDerWaalsContact O-CD2 3.27Å; V93-Y97 WeakPolarHBondContact O-CD2 3.19Å; V93-Y97 PolarHBondContact O-N 2.97Å; Y97-N99 PolarHBondContact O-N 3.33Å; Y97-V100 WeakPolarHBondContact O-CG2 3.26Å; Y97-E124 HydrophobicContact CE2-CG 4.21Å; Y97-E124 WeakPolarHBondContact CE2-OE1 3.4Å; Y97-E124 PolarHBondContact OH-OE1 3.32Å; Y97-C125 HydrophobicContact CE1-CB 4.18Å; Y97-H128 HydrophobicContact CD1-CB 4.26Å; Y97-H128 HydrophobicContact CD2-CB 4Å; Y97-H128 AromaticContact CD2-CD2 3.81Å; Y97-H128 AromaticContact CD2-CE1 3.94Å; Y97-H128 AromaticContact CD2-CG 3.46Å; Y97-H128 VanDerWaalsContact CD2-CG 3.46Å; Y97-H128 AromaticContact CD2-ND1 3.54Å; Y97-H128 AromaticContact CE2-CE1 3.96Å; Y97-H128 AromaticContact CE2-ND1 3.6Å; Y97-H128 HydrophobicContact CG-CB 3.78Å; Y97-H128 AromaticContact CG-CG 3.78Å; Y97-L130 HydrophobicContact CD1-CD1 4.06Å; Y97-L130 HydrophobicContact CD1-CD2 4.14Å; Y97-L130 HydrophobicContact CD1-CG 4.34Å; Y97-L130 HydrophobicContact CE1-CD1 4.4Å; Y97-L130 WeakPolarHBondContact O-CD2 3.45Å
98R86.2Confident84.5Confident177 Ų17753.6 Ų53.667%0.66826%0.257SS*.THydrogen-bonded Turntrans-63.6129.3178-173.4178.2175.4100.5-0.8111.5K28 Q94 V100K28-R98 PolarHBondContact NZ-O 3.43Å; Q94-R98 PolarHBondContact O-N 3.09Å; R98-V100 PolarHBondContact O-N 3.33Å
99N86.7Confident86.2Confident121 Ų12149.8 Ų49.865%0.64724%0.24SC*.THydrogen-bonded Turntrans54.537.6176.4-56.7-20.1000113.6Y97 H101Y97-N99 PolarHBondContact O-N 3.33Å; N99-H101 PolarHBondContact O-ND1 3.42Å
100V91.6Very high87.7Confident12 Ų1250.2 Ų50.27%0.07324%0.244CC..  trans-72.3135172.3167.40000109.8K28 I30 Y96 Y97 R98 A102 V103 L130 V134K28-V100 HydrophobicContact CD-CG2 4.41Å; K28-V100 HydrophobicContact CG-CG2 4.43Å; I30-V100 HydrophobicContact CB-CG2 4.42Å; I30-V100 HydrophobicContact CD1-CG1 4.2Å; I30-V100 HydrophobicContact CD1-CG2 4.12Å; I30-V100 HydrophobicContact CG1-CG1 3.82Å; I30-V100 HydrophobicContact CG1-CG2 4.1Å; I30-V100 HydrophobicContact CG2-CG2 3.5Å; Y96-V100 WeakPolarHBondContact O-CG2 3.32Å; Y97-V100 WeakPolarHBondContact O-CG2 3.26Å; R98-V100 PolarHBondContact O-N 3.33Å; V100-A102 WeakPolarHBondContact CG1-O 3.42Å; V100-V103 HydrophobicContact CG1-CG2 3.96Å; V100-L130 HydrophobicContact CB-CD2 4.05Å; V100-L130 HydrophobicContact CG1-CD1 4.4Å; V100-V134 HydrophobicContact CG1-CG1 4.28Å
101H93.8Very high89Confident69 Ų6945.7 Ų45.732%0.31923%0.228SC..  trans-96.8-33.9175.6-59.384.9000111.3I26 K28 N99 P135 L200I26-H101 PolarHBondContact O-CE1 3.29Å; K28-H101 PolarHBondContact N-ND1 2.96Å; K28-H101 WeakPolarHBondContact O-CA 3.32Å; K28-H101 WeakPolarHBondContact O-CB 3.38Å; K28-H101 PolarHBondContact O-N 3.16Å; N99-H101 PolarHBondContact O-ND1 3.42Å; H101-P135 VanDerWaalsContact O-CD 3.28Å; H101-P135 WeakPolarHBondContact O-CD 3.5Å; H101-L200 HydrophobicContact CB-CD1 3.98Å; H101-L200 HydrophobicContact CB-CD2 3.98Å; H101-L200 VanDerWaalsContact O-CD2 3.24Å; H101-L200 WeakPolarHBondContact O-CD2 3.24Å
102A94.9Very high90.4Very high1 Ų142.6 Ų42.61%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-147.2157.6175.500000112.8K28 I29 I30 V100 P135 V196 L200K28-A102 PolarHBondContact O-N 3.4Å; I29-A102 WeakPolarHBondContact CA-O 3.41Å; I29-A102 HydrophobicContact CG1-CB 4.22Å; I29-A102 HydrophobicContact CG2-CB 4.21Å; I30-A102 PolarHBondContact N-O 3.36Å; V100-A102 WeakPolarHBondContact CG1-O 3.42Å; A102-P135 WeakPolarHBondContact CA-O 3.16Å; A102-P135 HydrophobicContact CB-CG 3.92Å; A102-V196 HydrophobicContact CB-CG1 3.47Å; A102-V196 VanDerWaalsContact CB-CG1 3.47Å; A102-L200 HydrophobicContact CB-CD1 3.99Å; A102-L200 HydrophobicContact CB-CD2 4.28Å; A102-L200 HydrophobicContact CB-CG 4.43Å
103V95Very high91.5Very high1 Ų142 Ų421%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-123.4131.1178-172.90000110.4I30 I32 V100 F105 L130 V134 P135 R136 I137I30-V103 HydrophobicContact CD1-CB 4.44Å; I30-V103 HydrophobicContact CD1-CG1 4.03Å; I30-V103 HydrophobicContact CD1-CG2 3.88Å; I30-V103 HydrophobicContact CG1-CB 4.17Å; I30-V103 HydrophobicContact CG1-CG1 4.01Å; I30-V103 HydrophobicContact CG1-CG2 3.87Å; I32-V103 HydrophobicContact CD1-CG1 3.58Å; I32-V103 HydrophobicContact CG1-CG1 3.89Å; V100-V103 HydrophobicContact CG1-CG2 3.96Å; V103-F105 HydrophobicContact CB-CE2 4.3Å; V103-F105 HydrophobicContact CG1-CD2 4.12Å; V103-F105 HydrophobicContact CG1-CE1 4.36Å; V103-F105 HydrophobicContact CG1-CE2 3.67Å; V103-F105 HydrophobicContact CG1-CZ 3.8Å; V103-L130 HydrophobicContact CG2-CD1 3.47Å; V103-L130 VanDerWaalsContact CG2-CD1 3.47Å; V103-V134 HydrophobicContact CG2-CG1 3.96Å; V103-P135 PolarHBondContact N-O 2.87Å; V103-R136 HydrophobicContact CB-CG 4.15Å; V103-R136 HydrophobicContact CG2-CG 4.45Å; V103-R136 WeakPolarHBondContact O-CA 3.49Å; V103-I137 PolarHBondContact O-N 2.87Å
104V96.7Very high92.4Very high1 Ų141.2 Ų41.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-112.6112.2173.4-175.60000108.4I29 I30 V31 I32 V106 I137 V139 F193I29-V104 HydrophobicContact CG2-CG2 3.6Å; I30-V104 PolarHBondContact O-N 3.06Å; V31-V104 WeakPolarHBondContact CA-O 3.27Å; V31-V104 HydrophobicContact CG1-CB 4.38Å; V31-V104 HydrophobicContact CG1-CG1 4.43Å; V31-V104 HydrophobicContact CG2-CB 4.29Å; I32-V104 PolarHBondContact N-O 2.82Å; V104-V106 HydrophobicContact CG1-CG2 3.96Å; V104-I137 HydrophobicContact CB-CD1 4.41Å; V104-I137 HydrophobicContact CB-CG1 4.09Å; V104-I137 HydrophobicContact CG1-CD1 3.99Å; V104-I137 HydrophobicContact CG1-CG1 3.96Å; V104-I137 HydrophobicContact CG2-CD1 3.85Å; V104-I137 HydrophobicContact CG2-CG1 3.78Å; V104-V139 HydrophobicContact CG1-CB 4.36Å; V104-V139 HydrophobicContact CG1-CG2 3.62Å; V104-F193 HydrophobicContact CG2-CE1 4.2Å
105F97.2Very high93.3Very high1 Ų135 Ų350%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-86.3129.1170.5-65.2-85.5000109.1I32 V103 L118 W121 I122 C125 R136 I137 L138 V139 M165I32-F105 HydrophobicContact CD1-CD1 3.63Å; I32-F105 HydrophobicContact CD1-CE1 3.23Å; I32-F105 HydrophobicContact CD1-CZ 3.83Å; I32-F105 HydrophobicContact CG1-CD1 3.7Å; I32-F105 HydrophobicContact CG1-CE1 3.88Å; I32-F105 HydrophobicContact CG1-CG 4.35Å; I32-F105 CarbonylContact O-C 3.55Å; I32-F105 WeakPolarHBondContact O-CA 3.47Å; V103-F105 HydrophobicContact CB-CE2 4.3Å; V103-F105 HydrophobicContact CG1-CD2 4.12Å; V103-F105 HydrophobicContact CG1-CE1 4.36Å; V103-F105 HydrophobicContact CG1-CE2 3.67Å; V103-F105 HydrophobicContact CG1-CZ 3.8Å; F105-L118 HydrophobicContact CB-CD2 4.11Å; F105-W121 HydrophobicContact CD1-CB 4.08Å; F105-W121 HydrophobicContact CE1-CB 4.03Å; F105-I122 HydrophobicContact CD1-CG1 4.11Å; F105-I122 HydrophobicContact CE1-CB 4.34Å; F105-I122 HydrophobicContact CE1-CG1 3.62Å; F105-I122 HydrophobicContact CE2-CG1 4.29Å; F105-I122 HydrophobicContact CZ-CB 4.4Å; F105-I122 HydrophobicContact CZ-CG1 3.73Å; F105-C125 HydrophobicContact CE1-CB 4.39Å; F105-C125 HydrophobicContact CZ-CB 4Å; F105-R136 HydrophobicContact CE2-CB 4.08Å; F105-R136 HydrophobicContact CE2-CG 4.14Å; F105-I137 PolarHBondContact N-O 2.95Å; F105-L138 HydrophobicContact CB-CD1 3.86Å; F105-V139 PolarHBondContact O-N 3.03Å; F105-M165 HydrophobicContact CD2-CE 4.27Å; F105-M165 HydrophobicContact CD2-SD 3.54Å; F105-M165 VanDerWaalsContact CD2-SD 3.54Å; F105-M165 HydrophobicContact CE2-SD 3.69Å
106V97.7Very high94.1Very high0 Ų038.1 Ų38.10%018%0.183CC..EExtended strand (participates in β ladder)trans-121.7130.7-178.5-171.20000110V31 I32 G33 V37 K39 L42 V104 V139 N141V31-V106 HydrophobicContact CG1-CG2 3.48Å; V31-V106 VanDerWaalsContact CG1-CG2 3.48Å; I32-V106 PolarHBondContact O-N 3.05Å; G33-V106 WeakPolarHBondContact CA-O 3.49Å; V37-V106 HydrophobicContact CB-CG1 4.29Å; V37-V106 HydrophobicContact CG2-CB 4Å; V37-V106 HydrophobicContact CG2-CG1 3.76Å; K39-V106 HydrophobicContact CG-CB 4.05Å; K39-V106 HydrophobicContact CG-CG1 4.45Å; K39-V106 HydrophobicContact CG-CG2 4.18Å; L42-V106 HydrophobicContact CD1-CG1 3.8Å; L42-V106 HydrophobicContact CD1-CG2 4.11Å; V104-V106 HydrophobicContact CG1-CG2 3.96Å; V106-V139 WeakPolarHBondContact CA-O 3.45Å; V106-V139 HydrophobicContact CG2-CB 4.41Å; V106-N141 HydrophobicContact CG1-CB 4.03Å
107Y98.1Very high94.7Very high0 Ų039.8 Ų39.80%020%0.195CC..EExtended strand (participates in β ladder)trans-126.2166.9167.674.8-81000110.3V109 F115 L118 L138 V139 G140 N141 V151 A156 L167Y107-V109 HydrophobicContact CE2-CG1 3.95Å; Y107-F115 HydrophobicContact CD1-CD2 4.13Å; Y107-F115 HydrophobicContact CD2-CB 3.98Å; Y107-F115 AromaticContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CG 4.34Å; Y107-F115 HydrophobicContact CE1-CD2 4.17Å; Y107-F115 HydrophobicContact CE1-CE2 4.45Å; Y107-F115 AromaticContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CG-CB 4.39Å; Y107-F115 AromaticContact CG-CD2 3.92Å; Y107-F115 HydrophobicContact CG-CD2 3.92Å; Y107-L118 HydrophobicContact CD1-CD1 4.04Å; Y107-L118 HydrophobicContact CG-CD1 4.23Å; Y107-L138 HydrophobicContact CD1-CD1 3.8Å; Y107-L138 HydrophobicContact CD1-CG 4.23Å; Y107-L138 HydrophobicContact CE1-CD1 4.11Å; Y107-L138 HydrophobicContact CE1-CD2 4.28Å; Y107-L138 HydrophobicContact CE1-CG 4.02Å; Y107-V139 WeakPolarHBondContact CD1-O 3.47Å; Y107-V139 PolarHBondContact N-O 3.3Å; Y107-G140 VanDerWaalsContact CZ-CA 3.42Å; Y107-N141 PolarHBondContact O-N 3.36Å; Y107-V151 HydrophobicContact CD2-CG2 4.48Å; Y107-V151 HydrophobicContact CE2-CB 4.03Å; Y107-V151 HydrophobicContact CE2-CG1 3.84Å; Y107-V151 HydrophobicContact CE2-CG2 4.26Å; Y107-A156 WeakPolarHBondContact OH-CB 3.29Å; Y107-L167 HydrophobicContact CE1-CD1 4.21Å
108D97.1Very high95.2Very high9 Ų939.5 Ų39.55%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-101.3120.2176.1178.5-1.6000109.4V37 T110 N111 S114 K142V37-D108 HydrophobicContact CB-CB 4.2Å; V37-D108 HydrophobicContact CG1-CB 4.11Å; D108-T110 PolarHBondContact O-N 3.39Å; D108-T110 VanDerWaalsContact O-N 3.17Å; D108-T110 PolarHBondContact OD1-N 2.9Å; D108-T110 PolarHBondContact OD1-OG1 2.93Å; D108-T110 PolarHBondContact OD2-OG1 2.54Å; D108-N111 HydrophobicContact CB-CB 4.05Å; D108-N111 CarbonylContact O-C 3.34Å; D108-N111 PolarHBondContact O-N 2.95Å; D108-S114 PolarHBondContact N-OG 2.97Å; D108-S114 PolarHBondContact O-OG 3.15Å; D108-K142 WeakPolarHBondContact OD1-CD 3.49Å; D108-K142 VanDerWaalsContact OD2-CE 3.29Å; D108-K142 WeakPolarHBondContact OD2-CE 3.2Å; D108-K142 IonicContact OD2-NZ 3.24Å; D108-K142 PolarHBondContact OD2-NZ 3.02Å
109V96.5Very high95.6Very high3 Ų334 Ų342%0.01818%0.181CC..THydrogen-bonded Turntrans-62.5-22.7-178.8-57.60000112.5Y107 N111 N141 K142 V149 Q150 V151Y107-V109 HydrophobicContact CE2-CG1 3.95Å; V109-N111 VanDerWaalsContact C-N 3.33Å; V109-N141 WeakPolarHBondContact CG2-O 3.13Å; V109-N141 PolarHBondContact N-O 3.05Å; V109-K142 WeakPolarHBondContact CG2-O 3.29Å; V109-V149 HydrophobicContact CG2-CG2 4.12Å; V109-Q150 PolarHBondContact O-N 2.8Å; V109-V151 PolarHBondContact O-N 3.06Å; V109-V151 VanDerWaalsContact O-N 3.16Å
110T95.6Very high95.9Very high25 Ų2531.5 Ų31.515%0.15318%0.177CC..THydrogen-bonded Turntrans-90.24.3177.777.20000113.2D108 L145 S148 Q150D108-T110 PolarHBondContact O-N 3.39Å; D108-T110 VanDerWaalsContact O-N 3.17Å; D108-T110 PolarHBondContact OD1-N 2.9Å; D108-T110 PolarHBondContact OD1-OG1 2.93Å; D108-T110 PolarHBondContact OD2-OG1 2.54Å; T110-L145 HydrophobicContact CG2-CB 3.64Å; T110-L145 HydrophobicContact CG2-CD1 3.93Å; T110-L145 HydrophobicContact CG2-CG 4.42Å; T110-S148 VanDerWaalsContact CA-O 3.26Å; T110-S148 WeakPolarHBondContact CA-O 3.44Å; T110-S148 WeakPolarHBondContact CB-O 3.4Å; T110-Q150 WeakPolarHBondContact O-CG 3.28Å; T110-Q150 PolarHBondContact O-NE2 3.34Å; T110-Q150 PolarHBondContact O-OE1 2.82Å
111N95.9Very high95.9Very high65 Ų6531.3 Ų31.335%0.34818%0.175SC..  trans-139.298.5-177.1-178.3-7.5000111.6D108 V109 A113 S114D108-N111 HydrophobicContact CB-CB 4.05Å; D108-N111 CarbonylContact O-C 3.34Å; D108-N111 PolarHBondContact O-N 2.95Å; V109-N111 VanDerWaalsContact C-N 3.33Å; N111-A113 PolarHBondContact O-N 2.97Å; N111-A113 VanDerWaalsContact OD1-CB 3.29Å; N111-A113 WeakPolarHBondContact OD1-CB 3.05Å; N111-A113 PolarHBondContact OD1-N 2.77Å; N111-S114 WeakPolarHBondContact O-CB 3.5Å; N111-S114 PolarHBondContact O-N 3.31Å; N111-S114 VanDerWaalsContact O-N 3.1Å; N111-S114 PolarHBondContact O-OG 3.48Å; N111-S114 PolarHBondContact OD1-N 2.83Å
112T96.3Very high95.8Very high36 Ų3628.3 Ų28.322%0.22116%0.161CC..Hα-helixtrans-59.3-29.6179-46.50000113.4S114 F115 R116 Q150T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 2.92Å; T112-F115 PolarHBondContact O-N 3.15Å; T112-R116 HydrophobicContact CG2-CG 4.36Å; T112-R116 WeakPolarHBondContact O-CG 3.46Å; T112-R116 PolarHBondContact O-N 2.95Å; T112-Q150 VanDerWaalsContact OG1-CB 3.31Å; T112-Q150 WeakPolarHBondContact OG1-CB 3.28Å; T112-Q150 PolarHBondContact OG1-O 3.16Å; T112-Q150 PolarHBondContact OG1-OE1 2.78Å
113A96.8Very high95.6Very high55 Ų5532.6 Ų32.646%0.45518%0.181SC..Hα-helixtrans-63.4-40.3178.300000111.1N111 F115 R116 S117N111-A113 PolarHBondContact O-N 2.97Å; N111-A113 VanDerWaalsContact OD1-CB 3.29Å; N111-A113 WeakPolarHBondContact OD1-CB 3.05Å; N111-A113 PolarHBondContact OD1-N 2.77Å; A113-F115 VanDerWaalsContact C-N 3.27Å; A113-F115 PolarHBondContact O-N 3.28Å; A113-R116 PolarHBondContact O-N 3.38Å; A113-S117 PolarHBondContact O-N 2.81Å; A113-S117 PolarHBondContact O-OG 2.82Å; A113-S117 VanDerWaalsContact O-OG 3.09Å
114S96.6Very high95.2Very high2 Ų234.2 Ų34.21%0.01419%0.189CC..Hα-helixtrans-62-35.7177.476.70000112.8D108 N111 T112 S117D108-S114 PolarHBondContact N-OG 2.97Å; D108-S114 PolarHBondContact O-OG 3.15Å; N111-S114 WeakPolarHBondContact O-CB 3.5Å; N111-S114 PolarHBondContact O-N 3.31Å; N111-S114 VanDerWaalsContact O-N 3.1Å; N111-S114 PolarHBondContact O-OG 3.48Å; N111-S114 PolarHBondContact OD1-N 2.83Å; T112-S114 VanDerWaalsContact C-N 3.31Å; T112-S114 PolarHBondContact O-N 2.92Å; S114-S117 PolarHBondContact O-N 3.47Å
115F97.5Very high94.8Very high22 Ų2234.4 Ų34.410%0.09619%0.19CC..Hα-helixtrans-70.9-42.4175-177.1-98.3000111.6Y107 T112 A113 S117 L118 V151 V155 A156 F159Y107-F115 HydrophobicContact CD1-CD2 4.13Å; Y107-F115 HydrophobicContact CD2-CB 3.98Å; Y107-F115 AromaticContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CD2 3.76Å; Y107-F115 HydrophobicContact CD2-CG 4.34Å; Y107-F115 HydrophobicContact CE1-CD2 4.17Å; Y107-F115 HydrophobicContact CE1-CE2 4.45Å; Y107-F115 AromaticContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CE2-CD2 3.82Å; Y107-F115 HydrophobicContact CG-CB 4.39Å; Y107-F115 AromaticContact CG-CD2 3.92Å; Y107-F115 HydrophobicContact CG-CD2 3.92Å; T112-F115 PolarHBondContact O-N 3.15Å; A113-F115 VanDerWaalsContact C-N 3.27Å; A113-F115 PolarHBondContact O-N 3.28Å; F115-S117 PolarHBondContact O-N 2.8Å; F115-L118 HydrophobicContact CD2-CD1 3.49Å; F115-L118 VanDerWaalsContact CD2-CD1 3.49Å; F115-L118 HydrophobicContact CE2-CD1 3.84Å; F115-L118 HydrophobicContact CG-CD1 4.16Å; F115-L118 VanDerWaalsContact O-CB 3.28Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 VanDerWaalsContact O-CG 3.31Å; F115-L118 WeakPolarHBondContact O-CG 3.45Å; F115-L118 PolarHBondContact O-N 3.43Å; F115-L118 VanDerWaalsContact O-N 3.08Å; F115-V151 HydrophobicContact CB-CG1 4.41Å; F115-V151 HydrophobicContact CB-CG2 3.86Å; F115-V151 HydrophobicContact CD1-CG1 4.24Å; F115-V151 HydrophobicContact CD2-CG1 3.84Å; F115-V151 HydrophobicContact CE1-CG1 4.49Å; F115-V151 HydrophobicContact CE2-CG1 4.12Å; F115-V151 HydrophobicContact CG-CG1 3.91Å; F115-V151 HydrophobicContact CG-CG2 4.24Å; F115-V151 HydrophobicContact CZ-CG1 4.43Å; F115-V155 HydrophobicContact CE1-CG1 4.06Å; F115-V155 HydrophobicContact CZ-CG1 4.31Å; F115-A156 HydrophobicContact CE2-CB 3.99Å; F115-A156 HydrophobicContact CZ-CB 4.45Å; F115-F159 HydrophobicContact CE2-CB 4.35Å; F115-F159 HydrophobicContact CE2-CD1 4.27Å; F115-F159 HydrophobicContact CE2-CG 4.33Å; F115-F159 HydrophobicContact CZ-CB 3.66Å; F115-F159 HydrophobicContact CZ-CD1 4.22Å; F115-F159 HydrophobicContact CZ-CD2 4.33Å; F115-F159 AromaticContact CZ-CG 3.81Å; F115-F159 HydrophobicContact CZ-CG 3.81Å
116R96.8Very high94.2Very high193 Ų19339.7 Ų39.773%0.72821%0.213SC*.Hα-helixtrans-64.2-22.4176.1-71.4176.8-177.6167.53.6113.4T112 A113 P119T112-R116 HydrophobicContact CG2-CG 4.36Å; T112-R116 WeakPolarHBondContact O-CG 3.46Å; T112-R116 PolarHBondContact O-N 2.95Å; A113-R116 PolarHBondContact O-N 3.38Å; R116-P119 VanDerWaalsContact O-CD 3.29Å; R116-P119 WeakPolarHBondContact O-CD 3.2Å
117S95.6Very high93.7Very high36 Ų3646.1 Ų46.125%0.25224%0.243SC..THydrogen-bonded Turntrans-75.6-19.7174.2-59.20000113.5D34 A113 S114 F115 P119 A120 W121D34-S117 VanDerWaalsContact OD1-CB 3.27Å; D34-S117 WeakPolarHBondContact OD1-CB 3.44Å; D34-S117 VanDerWaalsContact OD2-CB 3.31Å; D34-S117 WeakPolarHBondContact OD2-CB 3.18Å; D34-S117 PolarHBondContact OD2-OG 3.41Å; A113-S117 PolarHBondContact O-N 2.81Å; A113-S117 PolarHBondContact O-OG 2.82Å; A113-S117 VanDerWaalsContact O-OG 3.09Å; S114-S117 PolarHBondContact O-N 3.47Å; F115-S117 PolarHBondContact O-N 2.8Å; S117-P119 VanDerWaalsContact C-CD 3.45Å; S117-A120 WeakPolarHBondContact O-CB 3.39Å; S117-A120 PolarHBondContact O-N 3.48Å; S117-W121 PolarHBondContact O-N 3.5Å
118L95.8Very high92.9Very high0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-53.7-41.4-175.3-69.7170.1000114.8F105 Y107 F115 A120 W121 I122 L138 F159F105-L118 HydrophobicContact CB-CD2 4.11Å; Y107-L118 HydrophobicContact CD1-CD1 4.04Å; Y107-L118 HydrophobicContact CG-CD1 4.23Å; F115-L118 HydrophobicContact CD2-CD1 3.49Å; F115-L118 VanDerWaalsContact CD2-CD1 3.49Å; F115-L118 HydrophobicContact CE2-CD1 3.84Å; F115-L118 HydrophobicContact CG-CD1 4.16Å; F115-L118 VanDerWaalsContact O-CB 3.28Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 VanDerWaalsContact O-CG 3.31Å; F115-L118 WeakPolarHBondContact O-CG 3.45Å; F115-L118 PolarHBondContact O-N 3.43Å; F115-L118 VanDerWaalsContact O-N 3.08Å; L118-A120 VanDerWaalsContact C-N 3.26Å; L118-A120 PolarHBondContact O-N 2.86Å; L118-W121 WeakPolarHBondContact O-CB 3.49Å; L118-W121 PolarHBondContact O-N 2.94Å; L118-W121 VanDerWaalsContact O-N 3.12Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3Å; L118-L138 HydrophobicContact CD1-CD1 3.69Å; L118-L138 HydrophobicContact CD2-CD1 4Å; L118-F159 HydrophobicContact CB-CE1 3.94Å; L118-F159 HydrophobicContact CB-CZ 3.74Å; L118-F159 HydrophobicContact CD1-CD1 4.36Å; L118-F159 HydrophobicContact CD1-CE1 3.88Å; L118-F159 HydrophobicContact CD1-CZ 4.41Å
119P95.1Very high91.4Very high61 Ų6152.6 Ų52.640%0.39629%0.288SS..Hα-helixtrans-55.9-38.9175.7-26.235.6000113.5R116 S117 I122 E123 F159R116-P119 VanDerWaalsContact O-CD 3.29Å; R116-P119 WeakPolarHBondContact O-CD 3.2Å; S117-P119 VanDerWaalsContact C-CD 3.45Å; P119-I122 PolarHBondContact O-N 3.46Å; P119-E123 WeakPolarHBondContact O-CB 3.37Å; P119-E123 PolarHBondContact O-N 3.07Å; P119-F159 HydrophobicContact CG-CE2 4.03Å; P119-F159 HydrophobicContact CG-CZ 4.29Å
120A92.5Very high90.3Very high69 Ų6954.1 Ų54.157%0.5730%0.296SS*.Hα-helixtrans-67-39.4177.900000111.5S117 L118 E123 E124S117-A120 WeakPolarHBondContact O-CB 3.39Å; S117-A120 PolarHBondContact O-N 3.48Å; L118-A120 VanDerWaalsContact C-N 3.26Å; L118-A120 PolarHBondContact O-N 2.86Å; A120-E123 PolarHBondContact O-N 3.4Å; A120-E124 WeakPolarHBondContact O-CB 3.34Å; A120-E124 PolarHBondContact O-N 2.92Å
121W92.5Very high88.9Confident9 Ų955.1 Ų55.13%0.03431%0.311CS..Hα-helixtrans-65.3-40.4174.3-69107.7000112.7I32 G33 D34 R89 F105 S117 L118 E123 C125I32-W121 HydrophobicContact CB-CE3 4.07Å; I32-W121 HydrophobicContact CB-CZ3 4.18Å; G33-W121 WeakPolarHBondContact O-CH2 3.5Å; G33-W121 WeakPolarHBondContact O-CZ2 3.43Å; D34-W121 PolarHBondContact OD1-NE1 3.11Å; R89-W121 VanDerWaalsContact NE-CH2 3.34Å; F105-W121 HydrophobicContact CD1-CB 4.08Å; F105-W121 HydrophobicContact CE1-CB 4.03Å; S117-W121 PolarHBondContact O-N 3.5Å; L118-W121 WeakPolarHBondContact O-CB 3.49Å; L118-W121 PolarHBondContact O-N 2.94Å; L118-W121 VanDerWaalsContact O-N 3.12Å; W121-E123 VanDerWaalsContact C-N 3.32Å; W121-C125 VanDerWaalsContact O-CB 3.29Å; W121-C125 WeakPolarHBondContact O-CB 3.32Å; W121-C125 PolarHBondContact O-N 3.01Å
122I91.9Very high87.5Confident5 Ų559 Ų593%0.02634%0.337CS..Hα-helixtrans-64.4-41.2176.2-68.8168.8000110.1F105 L118 P119 C125 K126 F159 M165F105-I122 HydrophobicContact CD1-CG1 4.11Å; F105-I122 HydrophobicContact CE1-CB 4.34Å; F105-I122 HydrophobicContact CE1-CG1 3.62Å; F105-I122 HydrophobicContact CE2-CG1 4.29Å; F105-I122 HydrophobicContact CZ-CB 4.4Å; F105-I122 HydrophobicContact CZ-CG1 3.73Å; L118-I122 WeakPolarHBondContact O-CG1 3.35Å; L118-I122 PolarHBondContact O-N 3Å; P119-I122 PolarHBondContact O-N 3.46Å; I122-C125 WeakPolarHBondContact O-CB 3.39Å; I122-C125 PolarHBondContact O-N 3.07Å; I122-K126 HydrophobicContact CG2-CD 4.46Å; I122-K126 WeakPolarHBondContact O-CG 3.47Å; I122-K126 PolarHBondContact O-N 3.31Å; I122-F159 HydrophobicContact CD1-CE1 3.89Å; I122-F159 HydrophobicContact CD1-CZ 3.63Å; I122-M165 HydrophobicContact CD1-CE 3.77Å; I122-M165 HydrophobicContact CG1-CE 4.46Å
123E90.2Very high86.6Confident91 Ų9163.5 Ų63.543%0.42536%0.355SS..Hα-helixtrans-67.6-44.1178-167.454.3-14600112.1P119 A120 W121 C125 K126 Q127P119-E123 WeakPolarHBondContact O-CB 3.37Å; P119-E123 PolarHBondContact O-N 3.07Å; A120-E123 PolarHBondContact O-N 3.4Å; W121-E123 VanDerWaalsContact C-N 3.32Å; E123-C125 VanDerWaalsContact C-N 3.26Å; E123-C125 PolarHBondContact O-N 2.99Å; E123-K126 PolarHBondContact O-N 3.17Å; E123-K126 VanDerWaalsContact O-N 3.11Å; E123-K126 IonicContact OE2-NZ 2.67Å; E123-Q127 WeakPolarHBondContact O-CG 3.42Å; E123-Q127 PolarHBondContact O-N 3.31Å
124E87.6Confident86.2Confident36 Ų3661.9 Ų61.917%0.16834%0.34CS..Hα-helixtrans-55.2-44.9171.6-176.2-170.911300111R89 Y96 Y97 A120 K126 Q127 H128R89-E124 IonicContact CZ-OE2 3.63Å; R89-E124 IonicContact NH1-OE1 3.05Å; R89-E124 PolarHBondContact NH1-OE1 3.12Å; R89-E124 IonicContact NH1-OE2 2.73Å; R89-E124 PolarHBondContact NH1-OE2 2.83Å; Y96-E124 PolarHBondContact OH-OE1 3.18Å; Y97-E124 HydrophobicContact CE2-CG 4.21Å; Y97-E124 WeakPolarHBondContact CE2-OE1 3.4Å; Y97-E124 PolarHBondContact OH-OE1 3.32Å; A120-E124 WeakPolarHBondContact O-CB 3.34Å; A120-E124 PolarHBondContact O-N 2.92Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.2Å; E124-Q127 PolarHBondContact O-N 2.77Å; E124-H128 PolarHBondContact O-ND1 3.46Å
125C87.1Confident86Confident5 Ų562.2 Ų62.23%0.03434%0.342CS..Hα-helixtrans-61.8-38.2178.2-178.50000112.4I32 Y97 F105 W121 I122 E123 L130I32-C125 HydrophobicContact CD1-CB 4.37Å; Y97-C125 HydrophobicContact CE1-CB 4.18Å; F105-C125 HydrophobicContact CE1-CB 4.39Å; F105-C125 HydrophobicContact CZ-CB 4Å; W121-C125 VanDerWaalsContact O-CB 3.29Å; W121-C125 WeakPolarHBondContact O-CB 3.32Å; W121-C125 PolarHBondContact O-N 3.01Å; I122-C125 WeakPolarHBondContact O-CB 3.39Å; I122-C125 PolarHBondContact O-N 3.07Å; E123-C125 VanDerWaalsContact C-N 3.26Å; E123-C125 PolarHBondContact O-N 2.99Å; C125-L130 WeakPolarHBondContact SG-CD1 3.36Å
126K86.1Confident85.8Confident111 Ų11165 Ų6548%0.48335%0.352SS..Hα-helixtrans-68.6-37.5177-72.7170.8-175.6170.30112.5I122 E123 E124 H128 A129I122-K126 HydrophobicContact CG2-CD 4.46Å; I122-K126 WeakPolarHBondContact O-CG 3.47Å; I122-K126 PolarHBondContact O-N 3.31Å; E123-K126 PolarHBondContact O-N 3.17Å; E123-K126 VanDerWaalsContact O-N 3.11Å; E123-K126 IonicContact OE2-NZ 2.67Å; E124-K126 VanDerWaalsContact C-N 3.33Å; E124-K126 PolarHBondContact O-N 3.2Å; K126-H128 PolarHBondContact O-N 3.31Å; K126-A129 PolarHBondContact O-N 2.98Å
127Q85.6Confident85.8Confident136 Ų13656.2 Ų56.264%0.63632%0.319SS*.Hα-helixtrans-61.7-24.2-179.9-71.2169.812.200113.3E123 E124 A129E123-Q127 WeakPolarHBondContact O-CG 3.42Å; E123-Q127 PolarHBondContact O-N 3.31Å; E124-Q127 PolarHBondContact O-N 2.77Å; Q127-A129 VanDerWaalsContact C-N 3.25Å; Q127-A129 PolarHBondContact O-N 2.77Å
128H82.5Confident85.9Confident58 Ų5854.5 Ų54.527%0.26931%0.307SS..THydrogen-bonded Turntrans-88.412178.7-65.785.5000113.7V93 Y97 E124 K126 L130V93-H128 WeakPolarHBondContact CG1-CE1 3.36Å; V93-H128 WeakPolarHBondContact CG1-NE2 3.34Å; Y97-H128 HydrophobicContact CD1-CB 4.26Å; Y97-H128 HydrophobicContact CD2-CB 4Å; Y97-H128 AromaticContact CD2-CD2 3.81Å; Y97-H128 AromaticContact CD2-CE1 3.94Å; Y97-H128 AromaticContact CD2-CG 3.46Å; Y97-H128 VanDerWaalsContact CD2-CG 3.46Å; Y97-H128 AromaticContact CD2-ND1 3.54Å; Y97-H128 AromaticContact CE2-CE1 3.96Å; Y97-H128 AromaticContact CE2-ND1 3.6Å; Y97-H128 HydrophobicContact CG-CB 3.78Å; Y97-H128 AromaticContact CG-CG 3.78Å; E124-H128 PolarHBondContact O-ND1 3.46Å; K126-H128 PolarHBondContact O-N 3.31Å; H128-L130 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact O-N 3.15Å
129A65.3Low86Confident87 Ų8754.6 Ų54.672%0.71931%0.308SS*.THydrogen-bonded Turntrans48.543.5174.100000113.2K126 Q127 G131K126-A129 PolarHBondContact O-N 2.98Å; Q127-A129 VanDerWaalsContact C-N 3.25Å; Q127-A129 PolarHBondContact O-N 2.77Å; A129-G131 PolarHBondContact O-N 2.97Å
130L72.1Confident86.1Confident35 Ų3551.7 Ų51.718%0.18329%0.289CS..  trans-56.5131.3168.1-60.8-171.3000107.8Y97 V100 V103 C125 H128 T132 V134Y97-L130 HydrophobicContact CD1-CD1 4.06Å; Y97-L130 HydrophobicContact CD1-CD2 4.14Å; Y97-L130 HydrophobicContact CD1-CG 4.34Å; Y97-L130 HydrophobicContact CE1-CD1 4.4Å; Y97-L130 WeakPolarHBondContact O-CD2 3.45Å; V100-L130 HydrophobicContact CB-CD2 4.05Å; V100-L130 HydrophobicContact CG1-CD1 4.4Å; V103-L130 HydrophobicContact CG2-CD1 3.47Å; V103-L130 VanDerWaalsContact CG2-CD1 3.47Å; C125-L130 WeakPolarHBondContact SG-CD1 3.36Å; H128-L130 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact O-N 3.15Å; L130-T132 PolarHBondContact O-N 3.28Å; L130-V134 HydrophobicContact CB-CB 4.4Å; L130-V134 HydrophobicContact CB-CG2 4.22Å; L130-V134 HydrophobicContact CD1-CG1 4.34Å
131G67.1Low86.2Confident46 Ų4648.6 Ų48.647%0.47426%0.263SS..  trans-50.1142.7179.800000110.6A129 E133 V134A129-G131 PolarHBondContact O-N 2.97Å; G131-E133 PolarHBondContact O-N 3.07Å; G131-V134 WeakPolarHBondContact O-CB 3.15Å; G131-V134 WeakPolarHBondContact O-CG2 3.41Å; G131-V134 PolarHBondContact O-N 3.1Å
132T65.8Low86.2Confident145 Ų14550.7 Ų50.789%0.8927%0.272SS*.THydrogen-bonded Turntrans-55.5-19.6-178.532.30000113.6L130L130-T132 PolarHBondContact O-N 3.28Å
133E78Confident86.2Confident131 Ų13152.1 Ų52.161%0.61228%0.282SS*.THydrogen-bonded Turntrans-85.7-6.8179-57.2-166.8125.600114.7G131 P135 Q203G131-E133 PolarHBondContact O-N 3.07Å; E133-P135 WeakPolarHBondContact O-CD 3.35Å; E133-Q203 PolarHBondContact O-NE2 2.82Å
134V89.1Confident86.1Confident22 Ų2250.4 Ų50.413%0.13328%0.276CS..  trans-67.6111.4-178.6173.20000109.6V100 V103 L130 G131 R136V100-V134 HydrophobicContact CG1-CG1 4.28Å; V103-V134 HydrophobicContact CG2-CG1 3.96Å; L130-V134 HydrophobicContact CB-CB 4.4Å; L130-V134 HydrophobicContact CB-CG2 4.22Å; L130-V134 HydrophobicContact CD1-CG1 4.34Å; G131-V134 WeakPolarHBondContact O-CB 3.15Å; G131-V134 WeakPolarHBondContact O-CG2 3.41Å; G131-V134 PolarHBondContact O-N 3.1Å; V134-R136 PolarHBondContact O-N 2.91Å
135P91.8Very high86.1Confident8 Ų852 Ų525%0.05229%0.285CS..  trans-61.7136.2176.824.5-35.5000111.1H101 A102 V103 E133 K199 L200H101-P135 VanDerWaalsContact O-CD 3.28Å; H101-P135 WeakPolarHBondContact O-CD 3.5Å; A102-P135 WeakPolarHBondContact CA-O 3.16Å; A102-P135 HydrophobicContact CB-CG 3.92Å; V103-P135 PolarHBondContact N-O 2.87Å; E133-P135 WeakPolarHBondContact O-CD 3.35Å; P135-K199 HydrophobicContact CB-CD 4.02Å; P135-L200 HydrophobicContact CG-CD2 3.51Å; P135-L200 HydrophobicContact CG-CG 4.26Å
136R93.6Very high85.9Confident82 Ų8259.2 Ų59.231%0.30932%0.318SS..EExtended strand (participates in β ladder)trans-120.5135.4177.6-65.9167.1-70.9-177.32.6108.1V103 F105 V134 M165 P166V103-R136 HydrophobicContact CB-CG 4.15Å; V103-R136 HydrophobicContact CG2-CG 4.45Å; V103-R136 WeakPolarHBondContact O-CA 3.49Å; F105-R136 HydrophobicContact CE2-CB 4.08Å; F105-R136 HydrophobicContact CE2-CG 4.14Å; V134-R136 PolarHBondContact O-N 2.91Å; R136-M165 HydrophobicContact CB-CG 3.81Å; R136-M165 HydrophobicContact CB-SD 3.65Å; R136-P166 WeakPolarHBondContact O-CD 2.8Å
137I96Very high85.9Confident7 Ų762 Ų624%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-129.1151.4176.568.1161.1000110.3V103 V104 F105 V139 P166 F168 I192 V196V103-I137 PolarHBondContact O-N 2.87Å; V104-I137 HydrophobicContact CB-CD1 4.41Å; V104-I137 HydrophobicContact CB-CG1 4.09Å; V104-I137 HydrophobicContact CG1-CD1 3.99Å; V104-I137 HydrophobicContact CG1-CG1 3.96Å; V104-I137 HydrophobicContact CG2-CD1 3.85Å; V104-I137 HydrophobicContact CG2-CG1 3.78Å; F105-I137 PolarHBondContact N-O 2.95Å; I137-V139 HydrophobicContact CD1-CG2 3.98Å; I137-V139 HydrophobicContact CG1-CG2 4.44Å; I137-P166 HydrophobicContact CB-CG 4.12Å; I137-P166 HydrophobicContact CG2-CG 3.6Å; I137-F168 HydrophobicContact CB-CE2 4.37Å; I137-F168 HydrophobicContact CD1-CD2 4.31Å; I137-F168 HydrophobicContact CD1-CE2 4.37Å; I137-F168 HydrophobicContact CG2-CE2 4.4Å; I137-I192 HydrophobicContact CD1-CG2 3.51Å; I137-V196 HydrophobicContact CD1-CG2 3.56Å; I137-V196 HydrophobicContact CG1-CG2 4.21Å; I137-V196 HydrophobicContact CG2-CG2 4.02Å
138L97.9Very high86.1Confident0 Ų058.7 Ų58.70%033%0.331CS..EExtended strand (participates in β ladder)trans-109.9131.5175.5-177.862.3000109.9F105 Y107 L118 F159 A160 M165 P166 L167 F168F105-L138 HydrophobicContact CB-CD1 3.86Å; Y107-L138 HydrophobicContact CD1-CD1 3.8Å; Y107-L138 HydrophobicContact CD1-CG 4.23Å; Y107-L138 HydrophobicContact CE1-CD1 4.11Å; Y107-L138 HydrophobicContact CE1-CD2 4.28Å; Y107-L138 HydrophobicContact CE1-CG 4.02Å; L118-L138 HydrophobicContact CD1-CD1 3.69Å; L118-L138 HydrophobicContact CD2-CD1 4Å; L138-F159 HydrophobicContact CD2-CD1 3.8Å; L138-F159 HydrophobicContact CD2-CE1 4.3Å; L138-A160 HydrophobicContact CD2-CB 3.93Å; L138-M165 HydrophobicContact CB-CE 4.44Å; L138-P166 PolarHBondContact N-O 3.41Å; L138-L167 HydrophobicContact CB-CD1 4.4Å; L138-L167 HydrophobicContact CD2-CD1 4.01Å; L138-L167 HydrophobicContact CG-CD1 3.97Å; L138-L167 CarbonylContact O-C 3.43Å; L138-L167 WeakPolarHBondContact O-CA 3.14Å; L138-F168 PolarHBondContact O-N 3.34Å
139V97.7Very high86.6Confident2 Ų259.2 Ų59.21%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-124.9116.2-178.9-179.10000110.2L42 V104 F105 V106 Y107 I137 F168 T170 I192L42-V139 HydrophobicContact CD1-CG1 4.16Å; V104-V139 HydrophobicContact CG1-CB 4.36Å; V104-V139 HydrophobicContact CG1-CG2 3.62Å; F105-V139 PolarHBondContact O-N 3.03Å; V106-V139 WeakPolarHBondContact CA-O 3.45Å; V106-V139 HydrophobicContact CG2-CB 4.41Å; Y107-V139 WeakPolarHBondContact CD1-O 3.47Å; Y107-V139 PolarHBondContact N-O 3.3Å; I137-V139 HydrophobicContact CD1-CG2 3.98Å; I137-V139 HydrophobicContact CG1-CG2 4.44Å; V139-F168 CarbonylContact C-O 3.56Å; V139-F168 VanDerWaalsContact CA-O 3.25Å; V139-F168 WeakPolarHBondContact CA-O 3.19Å; V139-T170 HydrophobicContact CG1-CG2 3.52Å; V139-I192 HydrophobicContact CG1-CD1 4.44Å; V139-I192 HydrophobicContact CG2-CG2 4.14Å
140G97.3Very high88Confident0 Ų060.7 Ų60.70%033%0.329CS..EExtended strand (participates in β ladder)trans-86109.1165.700000109.6Y107 F168 E169 T170Y107-G140 VanDerWaalsContact CZ-CA 3.42Å; G140-F168 PolarHBondContact N-O 3.4Å; G140-E169 CarbonylContact O-C 3.39Å; G140-E169 VanDerWaalsContact O-CA 3.32Å; G140-E169 WeakPolarHBondContact O-CA 3.4Å; G140-T170 PolarHBondContact O-N 3.24Å
141N95.5Very high89.1Confident4 Ų459.3 Ų59.32%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-94.4163.2-179.7-169.533.3000111.5V37 L42 V106 Y107 V109 T170 A172V37-N141 PolarHBondContact O-ND2 2.84Å; L42-N141 HydrophobicContact CD1-CB 4.23Å; V106-N141 HydrophobicContact CG1-CB 4.03Å; Y107-N141 PolarHBondContact O-N 3.36Å; V109-N141 WeakPolarHBondContact CG2-O 3.13Å; V109-N141 PolarHBondContact N-O 3.05Å; N141-T170 CarbonylContact C-O 3.55Å; N141-T170 VanDerWaalsContact CA-O 3.26Å; N141-T170 WeakPolarHBondContact CA-O 3.32Å; N141-T170 PolarHBondContact OD1-O 2.61Å; N141-A172 PolarHBondContact OD1-N 3.13Å; N141-A172 VanDerWaalsContact OD1-N 3.1Å
142K93.3Very high90.3Very high54 Ų5458.6 Ų58.624%0.23532%0.315CS..  trans70.731.9179.5-43.8-171.7-163168.10114.4G36 D108 V109 D144 L145 T170G36-K142 WeakPolarHBondContact O-CE 3.26Å; G36-K142 PolarHBondContact O-NZ 2.94Å; D108-K142 WeakPolarHBondContact OD1-CD 3.49Å; D108-K142 VanDerWaalsContact OD2-CE 3.29Å; D108-K142 WeakPolarHBondContact OD2-CE 3.2Å; D108-K142 IonicContact OD2-NZ 3.24Å; D108-K142 PolarHBondContact OD2-NZ 3.02Å; V109-K142 WeakPolarHBondContact CG2-O 3.29Å; K142-D144 WeakPolarHBondContact CA-OD1 3.05Å; K142-D144 PolarHBondContact O-N 3.12Å; K142-D144 VanDerWaalsContact O-N 3.09Å; K142-L145 HydrophobicContact CB-CD1 4.27Å; K142-L145 HydrophobicContact CD-CD1 4.45Å; K142-L145 PolarHBondContact O-N 3.31Å; K142-L145 VanDerWaalsContact O-N 3.07Å; K142-T170 PolarHBondContact N-O 3.06Å
143C91.1Very high91.7Very high34 Ų3455 Ų5523%0.2329%0.293CS..THydrogen-bonded Turntrans-65.1-8.7175.270.70000114L145 Q146 E169 T170C143-L145 PolarHBondContact O-N 3.48Å; C143-Q146 WeakPolarHBondContact O-CG 3.45Å; C143-E169 HydrophobicContact CB-CB 4.48Å; C143-T170 PolarHBondContact N-O 2.85Å; C143-T170 VanDerWaalsContact N-O 3.16Å; C143-T170 VanDerWaalsContact SG-CA 3.56Å; C143-T170 PolarHBondContact SG-O 3.24Å; C143-T170 VanDerWaalsContact SG-O 3.33Å
144D87.8Confident92.6Very high55 Ų5554.3 Ų54.329%0.29429%0.293SS..THydrogen-bonded Turntrans-64.7-20169.358.7-67000113K142 Q146 S171K142-D144 WeakPolarHBondContact CA-OD1 3.05Å; K142-D144 PolarHBondContact O-N 3.12Å; K142-D144 VanDerWaalsContact O-N 3.09Å; D144-Q146 PolarHBondContact O-N 3.38Å; D144-S171 WeakPolarHBondContact OD1-CB 3.31Å; D144-S171 PolarHBondContact OD1-OG 3.17Å
145L87.8Confident92.9Very high71 Ų7156.5 Ų56.537%0.37231%0.307SS..  trans-95.454.4-179.7-58.4178.7000111.7T110 K142 C143 D147 S148 V149T110-L145 HydrophobicContact CG2-CB 3.64Å; T110-L145 HydrophobicContact CG2-CD1 3.93Å; T110-L145 HydrophobicContact CG2-CG 4.42Å; K142-L145 HydrophobicContact CB-CD1 4.27Å; K142-L145 HydrophobicContact CD-CD1 4.45Å; K142-L145 PolarHBondContact O-N 3.31Å; K142-L145 VanDerWaalsContact O-N 3.07Å; C143-L145 PolarHBondContact O-N 3.48Å; L145-D147 VanDerWaalsContact C-N 3.26Å; L145-D147 PolarHBondContact O-N 2.88Å; L145-S148 PolarHBondContact O-N 2.89Å; L145-V149 PolarHBondContact O-N 3.34Å
146Q82.9Confident93.1Very high155 Ų15556.1 Ų56.172%0.72430%0.304SS*.G310 helixtrans-53-40.1-173.7-65.4-175.15.900113.3C143 D144 S148 V149C143-Q146 WeakPolarHBondContact O-CG 3.45Å; D144-Q146 PolarHBondContact O-N 3.38Å; Q146-S148 PolarHBondContact O-N 3.32Å; Q146-V149 WeakPolarHBondContact O-CG2 3.31Å; Q146-V149 PolarHBondContact O-N 2.86Å
147D86.6Confident93.3Very high171 Ų17155.6 Ų55.691%0.91431%0.305SS*.G310 helixtrans-68.8-15.1-179.9-60.2-38.9000114L145L145-D147 VanDerWaalsContact C-N 3.26Å; L145-D147 PolarHBondContact O-N 2.88Å
148S89.9Confident93.4Very high66 Ų6661.8 Ų61.846%0.46233%0.334SS..G310 helixtrans-111.59.7-178.3-60.50000112.9T110 L145 Q146 Q150T110-S148 VanDerWaalsContact CA-O 3.26Å; T110-S148 WeakPolarHBondContact CA-O 3.44Å; T110-S148 WeakPolarHBondContact CB-O 3.4Å; L145-S148 PolarHBondContact O-N 2.89Å; Q146-S148 PolarHBondContact O-N 3.32Å; S148-Q150 PolarHBondContact O-N 3.21Å
149V92.3Very high93.4Very high68 Ų6863.3 Ų63.341%0.41234%0.341SS..  trans-63.2126.1179.4174.50000109.9V109 L145 Q146 V151V109-V149 HydrophobicContact CG2-CG2 4.12Å; L145-V149 PolarHBondContact O-N 3.34Å; Q146-V149 WeakPolarHBondContact O-CG2 3.31Å; Q146-V149 PolarHBondContact O-N 2.86Å; V149-V151 VanDerWaalsContact CG1-O 3.28Å; V149-V151 WeakPolarHBondContact CG1-O 3.34Å
150Q94.8Very high93.3Very high118 Ų11863.2 Ų63.255%0.55134%0.34SS*.  trans-116.3-10.6178.5-59.3-174.2-8.900113V109 T110 T112 S148V109-Q150 PolarHBondContact O-N 2.8Å; T110-Q150 WeakPolarHBondContact O-CG 3.28Å; T110-Q150 PolarHBondContact O-NE2 3.34Å; T110-Q150 PolarHBondContact O-OE1 2.82Å; T112-Q150 VanDerWaalsContact OG1-CB 3.31Å; T112-Q150 WeakPolarHBondContact OG1-CB 3.28Å; T112-Q150 PolarHBondContact OG1-O 3.16Å; T112-Q150 PolarHBondContact OG1-OE1 2.78Å; S148-Q150 PolarHBondContact O-N 3.21Å
151V94.5Very high93.3Very high7 Ų767.9 Ų67.94%0.04237%0.365CS..SBendtrans-116.2113.4177.9-176.30000107.6Y107 V109 F115 V149 A156Y107-V151 HydrophobicContact CD2-CG2 4.48Å; Y107-V151 HydrophobicContact CE2-CB 4.03Å; Y107-V151 HydrophobicContact CE2-CG1 3.84Å; Y107-V151 HydrophobicContact CE2-CG2 4.26Å; V109-V151 PolarHBondContact O-N 3.06Å; V109-V151 VanDerWaalsContact O-N 3.16Å; F115-V151 HydrophobicContact CB-CG1 4.41Å; F115-V151 HydrophobicContact CB-CG2 3.86Å; F115-V151 HydrophobicContact CD1-CG1 4.24Å; F115-V151 HydrophobicContact CD2-CG1 3.84Å; F115-V151 HydrophobicContact CE1-CG1 4.49Å; F115-V151 HydrophobicContact CE2-CG1 4.12Å; F115-V151 HydrophobicContact CG-CG1 3.91Å; F115-V151 HydrophobicContact CG-CG2 4.24Å; F115-V151 HydrophobicContact CZ-CG1 4.43Å; V149-V151 VanDerWaalsContact CG1-O 3.28Å; V149-V151 WeakPolarHBondContact CG1-O 3.34Å; V151-A156 HydrophobicContact CG1-CB 4.26Å
152G93.6Very high93.3Very high30 Ų3072.7 Ų72.731%0.30940%0.395SS..  trans-67.3139.517600000111.4D154 V155 A156G152-D154 WeakPolarHBondContact CA-OD1 3.26Å; G152-D154 PolarHBondContact O-N 3.16Å; G152-V155 PolarHBondContact O-N 2.93Å; G152-V155 VanDerWaalsContact O-N 3.15Å; G152-A156 PolarHBondContact O-N 3.32Å
153T94.4Very high93.3Very high69 Ų6972.5 Ų72.542%0.42340%0.395SS..Hα-helixtrans-58.4-34.4178.1-52.30000111.8A156 Q157 L167 E169T153-A156 PolarHBondContact O-N 2.86Å; T153-Q157 WeakPolarHBondContact O-CB 3.37Å; T153-Q157 PolarHBondContact O-N 3.31Å; T153-L167 HydrophobicContact CG2-CD2 4.35Å; T153-E169 WeakPolarHBondContact CB-OE1 3.37Å; T153-E169 WeakPolarHBondContact CG2-OE1 3.21Å; T153-E169 PolarHBondContact OG1-OE1 3.29Å; T153-E169 PolarHBondContact OG1-OE2 3.46Å
154D96.2Very high93.3Very high117 Ų11775.8 Ų75.863%0.62642%0.418SS*.Hα-helixtrans-61.2-46.517562.4-39.3000112.4G152 Q157 Q158G152-D154 WeakPolarHBondContact CA-OD1 3.26Å; G152-D154 PolarHBondContact O-N 3.16Å; D154-Q157 PolarHBondContact O-N 3Å; D154-Q158 WeakPolarHBondContact O-CB 3.4Å; D154-Q158 PolarHBondContact O-N 3.06Å
155V96.5Very high93.6Very high69 Ų6973.5 Ų73.542%0.41841%0.406SS..Hα-helixtrans-66.2-43.7177.2178.40000110.5F115 G152 Q157 F159F115-V155 HydrophobicContact CE1-CG1 4.06Å; F115-V155 HydrophobicContact CZ-CG1 4.31Å; G152-V155 PolarHBondContact O-N 2.93Å; G152-V155 VanDerWaalsContact O-N 3.15Å; V155-Q157 VanDerWaalsContact C-N 3.33Å; V155-Q157 PolarHBondContact O-N 3.17Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.29Å
156A96.6Very high94Very high0 Ų072.5 Ų72.50%040%0.404CS..Hα-helixtrans-63.4-40.2176.800000111.9Y107 F115 V151 G152 T153 F159 A160 L167Y107-A156 WeakPolarHBondContact OH-CB 3.29Å; F115-A156 HydrophobicContact CE2-CB 3.99Å; F115-A156 HydrophobicContact CZ-CB 4.45Å; V151-A156 HydrophobicContact CG1-CB 4.26Å; G152-A156 PolarHBondContact O-N 3.32Å; T153-A156 PolarHBondContact O-N 2.86Å; A156-F159 PolarHBondContact O-N 2.85Å; A156-A160 WeakPolarHBondContact O-CB 3.43Å; A156-A160 PolarHBondContact O-N 3.41Å; A156-L167 HydrophobicContact CB-CD1 4.24Å; A156-L167 HydrophobicContact CB-CD2 3.75Å
157Q97.2Very high94.6Very high71 Ų7166.2 Ų66.233%0.33238%0.375SS..Hα-helixtrans-66.9-47.2179.2-173.662.459.300110.8T153 D154 V155 F159 A160 D161 L167T153-Q157 WeakPolarHBondContact O-CB 3.37Å; T153-Q157 PolarHBondContact O-N 3.31Å; D154-Q157 PolarHBondContact O-N 3Å; V155-Q157 VanDerWaalsContact C-N 3.33Å; V155-Q157 PolarHBondContact O-N 3.17Å; Q157-F159 VanDerWaalsContact C-N 3.26Å; Q157-F159 PolarHBondContact O-N 2.95Å; Q157-A160 WeakPolarHBondContact O-CB 3.29Å; Q157-A160 PolarHBondContact O-N 3.43Å; Q157-D161 PolarHBondContact NE2-OD1 2.82Å; Q157-D161 PolarHBondContact O-N 2.84Å; Q157-L167 HydrophobicContact CB-CD2 4.07Å
158Q97.7Very high95Very high137 Ų13760.7 Ų60.764%0.6434%0.343SS*.Hα-helixtrans-58.3-40.9176.2-175.4179.451.600111.8D154 T162D154-Q158 WeakPolarHBondContact O-CB 3.4Å; D154-Q158 PolarHBondContact O-N 3.06Å; Q158-T162 WeakPolarHBondContact O-CB 3.5Å; Q158-T162 PolarHBondContact O-N 3.4Å; Q158-T162 PolarHBondContact O-OG1 3.33Å
159F97.5Very high95.2Very high32 Ų3260.8 Ų60.814%0.1434%0.336CS..Hα-helixtrans-63.9-43175.1179.1-91.2000112.1F115 L118 P119 I122 L138 V155 A156 Q157 T162 H163 M165F115-F159 HydrophobicContact CE2-CB 4.35Å; F115-F159 HydrophobicContact CE2-CD1 4.27Å; F115-F159 HydrophobicContact CE2-CG 4.33Å; F115-F159 HydrophobicContact CZ-CB 3.66Å; F115-F159 HydrophobicContact CZ-CD1 4.22Å; F115-F159 HydrophobicContact CZ-CD2 4.33Å; F115-F159 AromaticContact CZ-CG 3.81Å; F115-F159 HydrophobicContact CZ-CG 3.81Å; L118-F159 HydrophobicContact CB-CE1 3.94Å; L118-F159 HydrophobicContact CB-CZ 3.74Å; L118-F159 HydrophobicContact CD1-CD1 4.36Å; L118-F159 HydrophobicContact CD1-CE1 3.88Å; L118-F159 HydrophobicContact CD1-CZ 4.41Å; P119-F159 HydrophobicContact CG-CE2 4.03Å; P119-F159 HydrophobicContact CG-CZ 4.29Å; I122-F159 HydrophobicContact CD1-CE1 3.89Å; I122-F159 HydrophobicContact CD1-CZ 3.63Å; L138-F159 HydrophobicContact CD2-CD1 3.8Å; L138-F159 HydrophobicContact CD2-CE1 4.3Å; V155-F159 WeakPolarHBondContact O-CB 3.3Å; V155-F159 PolarHBondContact O-N 3.29Å; A156-F159 PolarHBondContact O-N 2.85Å; Q157-F159 VanDerWaalsContact C-N 3.26Å; Q157-F159 PolarHBondContact O-N 2.95Å; F159-T162 PolarHBondContact O-N 3.26Å; F159-H163 AromaticContact CD2-CE1 3.88Å; F159-H163 AromaticContact CE1-ND1 3.96Å; F159-H163 AromaticContact CE2-CE1 3.4Å; F159-H163 WeakPolarHBondContact CE2-CE1 3.27Å; F159-H163 AromaticContact CE2-ND1 3.83Å; F159-H163 AromaticContact CZ-CE1 3.6Å; F159-H163 AromaticContact CZ-ND1 3.8Å; F159-H163 PolarHBondContact O-N 3.39Å; F159-H163 PolarHBondContact O-ND1 3.15Å; F159-M165 HydrophobicContact CE1-CE 4.33Å
160A96.5Very high95.2Very high0 Ų057.5 Ų57.50%032%0.316CS..Hα-helixtrans-63.7-45.3178.800000111.5L138 A156 Q157 T162 H163 S164 M165 L167L138-A160 HydrophobicContact CD2-CB 3.93Å; A156-A160 WeakPolarHBondContact O-CB 3.43Å; A156-A160 PolarHBondContact O-N 3.41Å; Q157-A160 WeakPolarHBondContact O-CB 3.29Å; Q157-A160 PolarHBondContact O-N 3.43Å; A160-T162 PolarHBondContact O-N 2.86Å; A160-H163 CarbonylContact O-C 3.5Å; A160-H163 PolarHBondContact O-N 3.44Å; A160-H163 VanDerWaalsContact O-N 3.11Å; A160-S164 PolarHBondContact O-N 3Å; A160-M165 CarbonylContact C-O 3.59Å; A160-M165 VanDerWaalsContact CB-O 3.22Å; A160-M165 WeakPolarHBondContact CB-O 3.39Å; A160-M165 PolarHBondContact O-N 2.67Å; A160-L167 HydrophobicContact CB-CB 3.94Å
161D95.9Very high95Very high97 Ų9752.1 Ų52.152%0.51929%0.292SS..Hα-helixtrans-61.1-44.4178-65.4-20.2000111.4Q157 H163 S164Q157-D161 PolarHBondContact NE2-OD1 2.82Å; Q157-D161 PolarHBondContact O-N 2.84Å; D161-H163 PolarHBondContact O-N 2.84Å; D161-S164 PolarHBondContact O-N 3.47Å
162T96.1Very high94.8Very high106 Ų10651.9 Ų51.965%0.6529%0.29SS*.Hα-helixtrans-58.2-31.3177-58.80000112.2Q158 F159 A160Q158-T162 WeakPolarHBondContact O-CB 3.5Å; Q158-T162 PolarHBondContact O-N 3.4Å; Q158-T162 PolarHBondContact O-OG1 3.33Å; F159-T162 PolarHBondContact O-N 3.26Å; A160-T162 PolarHBondContact O-N 2.86Å
163H92.7Very high94.4Very high50 Ų5056.3 Ų56.323%0.23130%0.301CS..THydrogen-bonded Turntrans-100.36.3179.2-6688000113.5F159 A160 D161 M165F159-H163 AromaticContact CD2-CE1 3.88Å; F159-H163 AromaticContact CE1-ND1 3.96Å; F159-H163 AromaticContact CE2-CE1 3.4Å; F159-H163 WeakPolarHBondContact CE2-CE1 3.27Å; F159-H163 AromaticContact CE2-ND1 3.83Å; F159-H163 AromaticContact CZ-CE1 3.6Å; F159-H163 AromaticContact CZ-ND1 3.8Å; F159-H163 PolarHBondContact O-N 3.39Å; F159-H163 PolarHBondContact O-ND1 3.15Å; A160-H163 CarbonylContact O-C 3.5Å; A160-H163 PolarHBondContact O-N 3.44Å; A160-H163 VanDerWaalsContact O-N 3.11Å; D161-H163 PolarHBondContact O-N 2.84Å; H163-M165 VanDerWaalsContact C-N 3.3Å; H163-M165 HydrophobicContact CB-CE 3.58Å; H163-M165 HydrophobicContact CB-CG 4.17Å; H163-M165 HydrophobicContact CB-SD 4.45Å; H163-M165 WeakPolarHBondContact O-CG 3.26Å; H163-M165 PolarHBondContact O-N 2.72Å
164S92.2Very high93.2Very high103 Ų10353.4 Ų53.472%0.7228%0.284SS*.THydrogen-bonded Turntrans54.643.4-177.3-54.20000113.2A160 D161A160-S164 PolarHBondContact O-N 3Å; D161-S164 PolarHBondContact O-N 3.47Å
165M94.1Very high91.1Very high6 Ų653 Ų533%0.0329%0.287CS..  trans-118.4135.7177.2-57.6-171-70.300109.4F105 I122 R136 L138 F159 A160 H163F105-M165 HydrophobicContact CD2-CE 4.27Å; F105-M165 HydrophobicContact CD2-SD 3.54Å; F105-M165 VanDerWaalsContact CD2-SD 3.54Å; F105-M165 HydrophobicContact CE2-SD 3.69Å; I122-M165 HydrophobicContact CD1-CE 3.77Å; I122-M165 HydrophobicContact CG1-CE 4.46Å; R136-M165 HydrophobicContact CB-CG 3.81Å; R136-M165 HydrophobicContact CB-SD 3.65Å; L138-M165 HydrophobicContact CB-CE 4.44Å; F159-M165 HydrophobicContact CE1-CE 4.33Å; A160-M165 CarbonylContact C-O 3.59Å; A160-M165 VanDerWaalsContact CB-O 3.22Å; A160-M165 WeakPolarHBondContact CB-O 3.39Å; A160-M165 PolarHBondContact O-N 2.67Å; H163-M165 VanDerWaalsContact C-N 3.3Å; H163-M165 HydrophobicContact CB-CE 3.58Å; H163-M165 HydrophobicContact CB-CG 4.17Å; H163-M165 HydrophobicContact CB-SD 4.45Å; H163-M165 WeakPolarHBondContact O-CG 3.26Å; H163-M165 PolarHBondContact O-N 2.72Å
166P94.9Very high88.6Confident51 Ų5153.9 Ų53.933%0.33129%0.29SS..  trans-68.3140.6167.230-33.7000110R136 I137 L138 F168R136-P166 WeakPolarHBondContact O-CD 2.8Å; I137-P166 HydrophobicContact CB-CG 4.12Å; I137-P166 HydrophobicContact CG2-CG 3.6Å; L138-P166 PolarHBondContact N-O 3.41Å; P166-F168 HydrophobicContact CB-CE2 3.93Å; P166-F168 HydrophobicContact CB-CZ 4.32Å; P166-F168 HydrophobicContact CG-CE2 3.92Å
167L96.5Very high86.3Confident22 Ų2258 Ų5812%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-93.3136.2172.1174.265.4000110Y107 L138 T153 A156 Q157 A160Y107-L167 HydrophobicContact CE1-CD1 4.21Å; L138-L167 HydrophobicContact CB-CD1 4.4Å; L138-L167 HydrophobicContact CD2-CD1 4.01Å; L138-L167 HydrophobicContact CG-CD1 3.97Å; L138-L167 CarbonylContact O-C 3.43Å; L138-L167 WeakPolarHBondContact O-CA 3.14Å; T153-L167 HydrophobicContact CG2-CD2 4.35Å; A156-L167 HydrophobicContact CB-CD1 4.24Å; A156-L167 HydrophobicContact CB-CD2 3.75Å; Q157-L167 HydrophobicContact CB-CD2 4.07Å; A160-L167 HydrophobicContact CB-CB 3.94Å
168F95.3Very high83.6Confident56 Ų5663.6 Ų63.625%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-127.8134.3166.4-60.2-86.7000109.6I137 L138 V139 G140 P166 I192 T195I137-F168 HydrophobicContact CB-CE2 4.37Å; I137-F168 HydrophobicContact CD1-CD2 4.31Å; I137-F168 HydrophobicContact CD1-CE2 4.37Å; I137-F168 HydrophobicContact CG2-CE2 4.4Å; L138-F168 PolarHBondContact O-N 3.34Å; V139-F168 CarbonylContact C-O 3.56Å; V139-F168 VanDerWaalsContact CA-O 3.25Å; V139-F168 WeakPolarHBondContact CA-O 3.19Å; G140-F168 PolarHBondContact N-O 3.4Å; P166-F168 HydrophobicContact CB-CE2 3.93Å; P166-F168 HydrophobicContact CB-CZ 4.32Å; P166-F168 HydrophobicContact CG-CE2 3.92Å; F168-I192 HydrophobicContact CB-CD1 3.67Å; F168-I192 HydrophobicContact CB-CG1 3.75Å; F168-I192 HydrophobicContact CD1-CG1 3.84Å; F168-I192 HydrophobicContact CD2-CG1 4.32Å; F168-I192 HydrophobicContact CD2-CG2 4.39Å; F168-I192 HydrophobicContact CG-CD1 4.22Å; F168-I192 HydrophobicContact CG-CG1 3.72Å; F168-T195 HydrophobicContact CZ-CG2 4.33Å
169E93.2Very high81Confident67 Ų6761 Ų6131%0.31336%0.36SS..EExtended strand (participates in β ladder)trans-104.7131.7168.7-68.3-179.1161.800109G140 C143 T153G140-E169 CarbonylContact O-C 3.39Å; G140-E169 VanDerWaalsContact O-CA 3.32Å; G140-E169 WeakPolarHBondContact O-CA 3.4Å; C143-E169 HydrophobicContact CB-CB 4.48Å; T153-E169 WeakPolarHBondContact CB-OE1 3.37Å; T153-E169 WeakPolarHBondContact CG2-OE1 3.21Å; T153-E169 PolarHBondContact OG1-OE1 3.29Å; T153-E169 PolarHBondContact OG1-OE2 3.46Å
170T92.5Very high78.3Confident0 Ų066.4 Ų66.40%039%0.39CS..EExtended strand (participates in β ladder)trans-150.4167.8-174.2-170.20000111.8L42 V139 G140 N141 K142 C143 V189 I192L42-T170 HydrophobicContact CD2-CG2 3.75Å; V139-T170 HydrophobicContact CG1-CG2 3.52Å; G140-T170 PolarHBondContact O-N 3.24Å; N141-T170 CarbonylContact C-O 3.55Å; N141-T170 VanDerWaalsContact CA-O 3.26Å; N141-T170 WeakPolarHBondContact CA-O 3.32Å; N141-T170 PolarHBondContact OD1-O 2.61Å; K142-T170 PolarHBondContact N-O 3.06Å; C143-T170 PolarHBondContact N-O 2.85Å; C143-T170 VanDerWaalsContact N-O 3.16Å; C143-T170 VanDerWaalsContact SG-CA 3.56Å; C143-T170 PolarHBondContact SG-O 3.24Å; C143-T170 VanDerWaalsContact SG-O 3.33Å; T170-V189 VanDerWaalsContact OG1-CG2 3.32Å; T170-V189 WeakPolarHBondContact OG1-CG2 3.39Å; T170-I192 HydrophobicContact CG2-CD1 3.77Å
171S91.8Very high75.8Confident5 Ų570 Ų704%0.03543%0.428CS..  trans-127.1121.8166.8177.50000110D144 K173 S174D144-S171 WeakPolarHBondContact OD1-CB 3.31Å; D144-S171 PolarHBondContact OD1-OG 3.17Å; S171-K173 PolarHBondContact O-N 3.24Å; S171-K173 PolarHBondContact OG-N 3.28Å; S171-S174 WeakPolarHBondContact CB-OG 3.29Å; S171-S174 PolarHBondContact OG-N 3.04Å
172A89.8Confident73.3Confident2 Ų269 Ų692%0.01743%0.428CS..SBendtrans-62.9-30.9166.900000112.1C41 L42 R45 F51 N141C41-A172 HydrophobicContact CB-CB 3.53Å; L42-A172 HydrophobicContact CD2-CB 3.86Å; L42-A172 HydrophobicContact CG-CB 4.09Å; R45-A172 PolarHBondContact NE-O 2.97Å; R45-A172 PolarHBondContact NH2-O 3.08Å; F51-A172 HydrophobicContact CD2-CB 4.37Å; F51-A172 VanDerWaalsContact CD2-O 3.27Å; F51-A172 WeakPolarHBondContact CD2-O 3.42Å; F51-A172 HydrophobicContact CE2-CB 4.13Å; N141-A172 PolarHBondContact OD1-N 3.13Å; N141-A172 VanDerWaalsContact OD1-N 3.1Å
173K85.1Confident70.8Confident123 Ų12368.3 Ų68.354%0.53543%0.426SS..SBendtrans-83.3-26.1-172-171.2179175.6-169.70112.9F51 S171F51-K173 VanDerWaalsContact CD2-CA 3.5Å; F51-K173 HydrophobicContact CD2-CB 4.1Å; F51-K173 HydrophobicContact CD2-CG 4.45Å; F51-K173 HydrophobicContact CE1-CG 4.31Å; F51-K173 HydrophobicContact CE2-CB 3.75Å; F51-K173 HydrophobicContact CE2-CG 4.22Å; F51-K173 HydrophobicContact CZ-CB 4.1Å; F51-K173 HydrophobicContact CZ-CG 4.15Å; S171-K173 PolarHBondContact O-N 3.24Å; S171-K173 PolarHBondContact OG-N 3.28Å
174S68.8Low68.8Low8 Ų874.7 Ų74.76%0.05645%0.448CS..  trans-32.2129.1-164.3-95.30000113.4S171 N176 D185S171-S174 WeakPolarHBondContact CB-OG 3.29Å; S171-S174 PolarHBondContact OG-N 3.04Å; S174-N176 PolarHBondContact O-N 3.36Å; S174-D185 VanDerWaalsContact CB-CB 3.43Å; S174-D185 WeakPolarHBondContact OG-CB 3.45Å; S174-D185 PolarHBondContact OG-OD2 3.33Å
175P51.9Low66.8Low107 Ų10773.1 Ų73.170%0.69543%0.432SS*.  trans-62.8108.5-171.126.3-33.4000109.5S177P175-S177 PolarHBondContact O-N 2.93Å; P175-S177 VanDerWaalsContact O-N 3.09Å
176N44.7Very low64.9Low89 Ų8974.5 Ų74.548%0.47644%0.442SS..  trans-67109.5157.7-85.82.5000107.4S174S174-N176 PolarHBondContact O-N 3.36Å
177S47.4Very low63.5Low86 Ų8675.7 Ų75.760%0.60145%0.446SS*.  67.878.2127.4-40.50000116.9P175P175-S177 PolarHBondContact O-N 2.93Å; P175-S177 VanDerWaalsContact O-N 3.09Å
178L40.5Very low62.9Low189 Ų18978.8 Ų78.899%0.9946%0.459SS*.SBendtrans-101.990.5143.7-79.2162.1000107.9
179G44.4Very low62.7Low83 Ų8376.3 Ų76.386%0.85645%0.449SS*.SBendtrans103.12.8146.600000121.2
180D40.2Very low62.6Low144 Ų14475.7 Ų75.777%0.7745%0.446SS*.  trans-144.2134.1170.8-166.46.7000111.3S182D180-S182 PolarHBondContact O-N 2.9Å
181G44.5Very low62.5Low77 Ų7778 Ų7879%0.79447%0.465SS*.  trans-71.736.5-167.200000115.7
182S42.2Very low62.6Low74 Ų7478.1 Ų78.152%0.51747%0.465SS..  trans-108.483.7175.8170.80000110.7D180 R184D180-S182 PolarHBondContact O-N 2.9Å; S182-R184 PolarHBondContact O-N 3.12Å
183C44.5Very low62.8Low92 Ų9278.2 Ų78.262%0.62247%0.465SS*.  trans-58.5108.1161-430000108.5
184R50.6Low63.3Low184 Ų18474 Ų7469%0.69445%0.448SS*.  trans-126.4-35.9171.5-81-179133.5-179.9-5.5112.8S182 H188S182-R184 PolarHBondContact O-N 3.12Å; R184-H188 PolarHBondContact O-CD2 3.11Å; R184-H188 VanDerWaalsContact O-CD2 3.29Å; R184-H188 PolarHBondContact O-NE2 3.07Å
185D50.6Low64.4Low70 Ų7077 Ų7737%0.37447%0.466SS..SBendtrans-97.6-30-169.8-64.6-14000115.1S174 D187 H188S174-D185 VanDerWaalsContact CB-CB 3.43Å; S174-D185 WeakPolarHBondContact OG-CB 3.45Å; S174-D185 PolarHBondContact OG-OD2 3.33Å; D185-D187 PolarHBondContact O-N 3.06Å; D185-H188 PolarHBondContact O-N 3.02Å; D185-H188 IonicContact OD1-CE1 2.76Å
186S53.7Low66.4Low35 Ų3572.1 Ų72.125%0.24543%0.434CS..Hα-helixtrans-62.9-22.5169.8-172.80000111.6H188S186-H188 VanDerWaalsContact C-N 3.34Å
187D65.8Low68.7Low77 Ų7767.9 Ų67.941%0.41241%0.411SS..Hα-helixtrans-77.2-21.6180-58-31.7000111.8D185 A191D185-D187 PolarHBondContact O-N 3.06Å; D187-A191 WeakPolarHBondContact O-CB 3.37Å; D187-A191 PolarHBondContact O-N 3.37Å
188H83.3Confident70.9Confident87 Ų8767.7 Ų67.740%0.40340%0.401SS..Hα-helixtrans-72.3-44.8-178.3-67.5172.9000112.3R184 D185 S186 E190 A191 I192R184-H188 PolarHBondContact O-CD2 3.11Å; R184-H188 VanDerWaalsContact O-CD2 3.29Å; R184-H188 PolarHBondContact O-NE2 3.07Å; D185-H188 PolarHBondContact O-N 3.02Å; D185-H188 IonicContact OD1-CE1 2.76Å; S186-H188 VanDerWaalsContact C-N 3.34Å; H188-E190 VanDerWaalsContact C-N 3.31Å; H188-E190 PolarHBondContact O-N 3.34Å; H188-A191 PolarHBondContact O-N 2.99Å; H188-I192 WeakPolarHBondContact O-CD1 3.47Å; H188-I192 WeakPolarHBondContact O-CG1 3.4Å; H188-I192 PolarHBondContact O-N 3.17Å
189V90.7Very high73.3Confident3 Ų363.2 Ų63.22%0.01837%0.373CS..Hα-helixtrans-62.9-42174.9179.10000110.4L42 R45 F46 T170 I192 F193L42-V189 HydrophobicContact CD2-CG1 4.26Å; L42-V189 HydrophobicContact CD2-CG2 3.84Å; R45-V189 HydrophobicContact CB-CG1 4.27Å; R45-V189 HydrophobicContact CG-CB 4.06Å; R45-V189 HydrophobicContact CG-CG1 3.94Å; R45-V189 HydrophobicContact CG-CG2 4.12Å; F46-V189 HydrophobicContact CB-CG1 4.21Å; T170-V189 VanDerWaalsContact OG1-CG2 3.32Å; T170-V189 WeakPolarHBondContact OG1-CG2 3.39Å; V189-I192 PolarHBondContact O-N 3.1Å; V189-F193 HydrophobicContact CG1-CD2 4.05Å; V189-F193 HydrophobicContact CG1-CE2 3.98Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.26Å
190E91Very high75.6Confident55 Ų5559.9 Ų59.926%0.25734%0.336SS..Hα-helixtrans-58.5-51.6174.7-170.870.6-179.400111.2F46 R66 H188 I192 F193 M194F46-E190 WeakPolarHBondContact CD2-OE2 3.47Å; F46-E190 WeakPolarHBondContact CE2-OE2 3.42Å; R66-E190 IonicContact CZ-OE1 2.72Å; R66-E190 VanDerWaalsContact CZ-OE1 3.26Å; R66-E190 IonicContact CZ-OE2 2.67Å; R66-E190 VanDerWaalsContact NH1-CD 3.26Å; R66-E190 IonicContact NH1-OE1 3.87Å; R66-E190 PolarHBondContact NH1-OE1 3.47Å; R66-E190 IonicContact NH1-OE2 3.44Å; R66-E190 PolarHBondContact NH1-OE2 3.18Å; R66-E190 IonicContact NH2-OE1 3.66Å; R66-E190 PolarHBondContact NH2-OE1 3.45Å; R66-E190 IonicContact NH2-OE2 2.82Å; H188-E190 VanDerWaalsContact C-N 3.31Å; H188-E190 PolarHBondContact O-N 3.34Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.34Å; E190-F193 PolarHBondContact O-N 2.97Å; E190-M194 HydrophobicContact CG-CG 4.1Å; E190-M194 VanDerWaalsContact O-CB 3.3Å; E190-M194 WeakPolarHBondContact O-CB 3.31Å; E190-M194 VanDerWaalsContact O-CG 3.24Å; E190-M194 WeakPolarHBondContact O-CG 3.5Å; E190-M194 PolarHBondContact O-N 3.2Å
191A91.3Very high78Confident48 Ų4854.9 Ų54.940%0.39731%0.307SS..Hα-helixtrans-59.1-39.1-178.500000112.3D187 H188 T195D187-A191 WeakPolarHBondContact O-CB 3.37Å; D187-A191 PolarHBondContact O-N 3.37Å; H188-A191 PolarHBondContact O-N 2.99Å; A191-T195 WeakPolarHBondContact O-CB 3.38Å; A191-T195 PolarHBondContact O-N 2.71Å; A191-T195 PolarHBondContact O-OG1 3.09Å
192I93.8Very high80Confident8 Ų855.6 Ų55.64%0.04130%0.3CS..Hα-helixtrans-60.4-55.6178-68.6163.9000110.6I137 V139 F168 T170 H188 V189 E190 T195 V196I137-I192 HydrophobicContact CD1-CG2 3.51Å; V139-I192 HydrophobicContact CG1-CD1 4.44Å; V139-I192 HydrophobicContact CG2-CG2 4.14Å; F168-I192 HydrophobicContact CB-CD1 3.67Å; F168-I192 HydrophobicContact CB-CG1 3.75Å; F168-I192 HydrophobicContact CD1-CG1 3.84Å; F168-I192 HydrophobicContact CD2-CG1 4.32Å; F168-I192 HydrophobicContact CD2-CG2 4.39Å; F168-I192 HydrophobicContact CG-CD1 4.22Å; F168-I192 HydrophobicContact CG-CG1 3.72Å; T170-I192 HydrophobicContact CG2-CD1 3.77Å; H188-I192 WeakPolarHBondContact O-CD1 3.47Å; H188-I192 WeakPolarHBondContact O-CG1 3.4Å; H188-I192 PolarHBondContact O-N 3.17Å; V189-I192 PolarHBondContact O-N 3.1Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.34Å; I192-T195 PolarHBondContact O-N 3.47Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 3.04Å; I192-V196 VanDerWaalsContact O-N 3.11Å
193F94.7Very high81.8Confident4 Ų455.3 Ų55.32%0.01829%0.29CS..Hα-helixtrans-71-34.1-176.7-73.8-71.2000112.4V31 F46 L79 V104 V189 E190 V196 A197V31-F193 HydrophobicContact CG2-CE1 4.44Å; F46-F193 HydrophobicContact CB-CD2 3.65Å; F46-F193 HydrophobicContact CB-CE2 3.93Å; F46-F193 HydrophobicContact CB-CG 4.4Å; F46-F193 HydrophobicContact CD1-CB 4.3Å; F46-F193 HydrophobicContact CD1-CD2 4.37Å; F46-F193 HydrophobicContact CD1-CG 4.3Å; F46-F193 HydrophobicContact CD2-CB 3.55Å; F46-F193 AromaticContact CD2-CD2 3.74Å; F46-F193 HydrophobicContact CD2-CD2 3.74Å; F46-F193 AromaticContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CD2-CG 3.95Å; F46-F193 HydrophobicContact CE1-CB 4.18Å; F46-F193 HydrophobicContact CE2-CB 3.43Å; F46-F193 VanDerWaalsContact CE2-CB 3.43Å; F46-F193 HydrophobicContact CE2-CD2 4.5Å; F46-F193 HydrophobicContact CE2-CG 4.29Å; F46-F193 HydrophobicContact CG-CB 3.98Å; F46-F193 AromaticContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CD2 3.64Å; F46-F193 HydrophobicContact CG-CE2 4.35Å; F46-F193 AromaticContact CG-CG 3.94Å; F46-F193 HydrophobicContact CG-CG 3.94Å; F46-F193 HydrophobicContact CZ-CB 3.76Å; L79-F193 HydrophobicContact CD1-CD1 4.35Å; L79-F193 HydrophobicContact CD1-CE1 4.03Å; L79-F193 HydrophobicContact CD1-CZ 4.12Å; L79-F193 HydrophobicContact CD2-CD1 3.76Å; L79-F193 HydrophobicContact CD2-CE1 3.63Å; L79-F193 HydrophobicContact CD2-CZ 4.49Å; V104-F193 HydrophobicContact CG2-CE1 4.2Å; V189-F193 HydrophobicContact CG1-CD2 4.05Å; V189-F193 HydrophobicContact CG1-CE2 3.98Å; V189-F193 WeakPolarHBondContact O-CD2 3.31Å; V189-F193 PolarHBondContact O-N 3.26Å; E190-F193 PolarHBondContact O-N 2.97Å; F193-V196 PolarHBondContact O-N 3.36Å; F193-A197 WeakPolarHBondContact O-CB 3.27Å; F193-A197 PolarHBondContact O-N 3.5Å
194M94.3Very high82.3Confident34 Ų3460 Ų6017%0.16730%0.3CS..Hα-helixtrans-65.9-40.3172.7-69.9-57.5-68.100111.6F46 V68 I70 E190 V196 A197 H198F46-M194 HydrophobicContact CE2-CG 4.46Å; V68-M194 HydrophobicContact CB-CE 4.48Å; V68-M194 HydrophobicContact CB-SD 4.23Å; V68-M194 HydrophobicContact CG1-SD 4.03Å; V68-M194 HydrophobicContact CG2-SD 4.42Å; I70-M194 HydrophobicContact CD1-CE 4.05Å; I70-M194 HydrophobicContact CG1-CE 3.81Å; E190-M194 HydrophobicContact CG-CG 4.1Å; E190-M194 VanDerWaalsContact O-CB 3.3Å; E190-M194 WeakPolarHBondContact O-CB 3.31Å; E190-M194 VanDerWaalsContact O-CG 3.24Å; E190-M194 WeakPolarHBondContact O-CG 3.5Å; E190-M194 PolarHBondContact O-N 3.2Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 2.97Å; M194-A197 PolarHBondContact O-N 3.44Å; M194-A197 VanDerWaalsContact O-N 3.14Å; M194-H198 WeakPolarHBondContact O-CB 3.39Å; M194-H198 PolarHBondContact O-CD2 2.78Å; M194-H198 PolarHBondContact O-N 2.91Å
195T93Very high82.1Confident70 Ų7055.2 Ų55.243%0.42929%0.293SS..Hα-helixtrans-60.1-43.8175.1-63.30000111.3F168 A191 I192 H198 K199F168-T195 HydrophobicContact CZ-CG2 4.33Å; A191-T195 WeakPolarHBondContact O-CB 3.38Å; A191-T195 PolarHBondContact O-N 2.71Å; A191-T195 PolarHBondContact O-OG1 3.09Å; I192-T195 PolarHBondContact O-N 3.47Å; T195-H198 PolarHBondContact O-N 3.42Å; T195-K199 WeakPolarHBondContact O-CB 3.44Å; T195-K199 PolarHBondContact O-N 3.44Å
196V93.4Very high81.9Confident6 Ų658.4 Ų58.44%0.03631%0.31CS..Hα-helixtrans-61-46174.1176.60000110.6I29 A102 I137 I192 F193 M194 K199 L200I29-V196 HydrophobicContact CD1-CB 4.43Å; I29-V196 HydrophobicContact CD1-CG1 3.79Å; I29-V196 HydrophobicContact CG1-CG1 4.44Å; A102-V196 HydrophobicContact CB-CG1 3.47Å; A102-V196 VanDerWaalsContact CB-CG1 3.47Å; I137-V196 HydrophobicContact CD1-CG2 3.56Å; I137-V196 HydrophobicContact CG1-CG2 4.21Å; I137-V196 HydrophobicContact CG2-CG2 4.02Å; I192-V196 WeakPolarHBondContact O-CG2 3.17Å; I192-V196 PolarHBondContact O-N 3.04Å; I192-V196 VanDerWaalsContact O-N 3.11Å; F193-V196 PolarHBondContact O-N 3.36Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 2.97Å; V196-K199 PolarHBondContact O-N 2.72Å; V196-L200 HydrophobicContact CG1-CD1 4.03Å; V196-L200 HydrophobicContact CG1-CG 4.32Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 2.83Å; V196-L200 PolarHBondContact O-N 3.24Å
197A93.7Very high81.1Confident0 Ų062.9 Ų62.90%034%0.335CS..Hα-helixtrans-64.8-41.4-179.300000113F27 I70 I77 F193 M194 L200 K201F27-A197 HydrophobicContact CD2-CB 4.43Å; F27-A197 WeakPolarHBondContact CE2-O 3.38Å; I70-A197 HydrophobicContact CD1-CB 3.43Å; I70-A197 VanDerWaalsContact CD1-CB 3.43Å; I77-A197 HydrophobicContact CD1-CB 3.65Å; I77-A197 HydrophobicContact CG1-CB 4.26Å; F193-A197 WeakPolarHBondContact O-CB 3.27Å; F193-A197 PolarHBondContact O-N 3.5Å; M194-A197 PolarHBondContact O-N 3.44Å; M194-A197 VanDerWaalsContact O-N 3.14Å; A197-L200 PolarHBondContact O-N 3.15Å; A197-K201 WeakPolarHBondContact O-CB 3.06Å; A197-K201 PolarHBondContact O-N 3.43Å
198H92.8Very high79.9Confident81 Ų8166.1 Ų66.138%0.37535%0.352SS..Hα-helixtrans-61-44.9172-85.6-83.5000111.3I70 D71 M194 T195 L200 K201 S202I70-H198 VanDerWaalsContact CG2-CE1 3.42Å; I70-H198 WeakPolarHBondContact CG2-CE1 3.23Å; I70-H198 WeakPolarHBondContact CG2-ND1 3.23Å; D71-H198 IonicContact OD1-CE1 3.88Å; M194-H198 WeakPolarHBondContact O-CB 3.39Å; M194-H198 PolarHBondContact O-CD2 2.78Å; M194-H198 PolarHBondContact O-N 2.91Å; T195-H198 PolarHBondContact O-N 3.42Å; H198-L200 PolarHBondContact O-N 2.78Å; H198-K201 PolarHBondContact O-N 3.3Å; H198-S202 WeakPolarHBondContact O-CB 3.08Å; H198-S202 PolarHBondContact O-N 2.74Å; H198-S202 PolarHBondContact O-OG 2.95Å
199K91.1Very high77.6Confident95 Ų9567 Ų6741%0.41337%0.368SS..Hα-helixtrans-59.9-46.2176.8-172.2169.5-177.1174.30111.2P135 T195 V196 K201 S202 Q203P135-K199 HydrophobicContact CB-CD 4.02Å; T195-K199 WeakPolarHBondContact O-CB 3.44Å; T195-K199 PolarHBondContact O-N 3.44Å; V196-K199 PolarHBondContact O-N 2.72Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 2.84Å; K199-S202 WeakPolarHBondContact CA-OG 3.47Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-S202 PolarHBondContact O-OG 3.26Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 3.17Å
200L91.9Very high75.1Confident13 Ų1373.7 Ų73.77%0.06840%0.399CS..Hα-helixtrans-62.3-38.2176.3-71.1176.6000113.1F27 I29 H101 A102 P135 V196 A197 H198F27-L200 HydrophobicContact CB-CD1 3.75Å; F27-L200 HydrophobicContact CD1-CB 4.16Å; F27-L200 HydrophobicContact CD1-CD1 4.21Å; F27-L200 HydrophobicContact CD2-CB 3.82Å; F27-L200 HydrophobicContact CD2-CD1 3.95Å; F27-L200 HydrophobicContact CE1-CB 4.03Å; F27-L200 HydrophobicContact CE2-CB 3.66Å; F27-L200 HydrophobicContact CG-CB 4.08Å; F27-L200 HydrophobicContact CG-CD1 3.72Å; F27-L200 HydrophobicContact CZ-CB 3.79Å; I29-L200 HydrophobicContact CG1-CD1 4.42Å; H101-L200 HydrophobicContact CB-CD1 3.98Å; H101-L200 HydrophobicContact CB-CD2 3.98Å; H101-L200 VanDerWaalsContact O-CD2 3.24Å; H101-L200 WeakPolarHBondContact O-CD2 3.24Å; A102-L200 HydrophobicContact CB-CD1 3.99Å; A102-L200 HydrophobicContact CB-CD2 4.28Å; A102-L200 HydrophobicContact CB-CG 4.43Å; P135-L200 HydrophobicContact CG-CD2 3.51Å; P135-L200 HydrophobicContact CG-CG 4.26Å; V196-L200 HydrophobicContact CG1-CD1 4.03Å; V196-L200 HydrophobicContact CG1-CG 4.32Å; V196-L200 VanDerWaalsContact O-CG 3.29Å; V196-L200 WeakPolarHBondContact O-CG 2.83Å; V196-L200 PolarHBondContact O-N 3.24Å; A197-L200 PolarHBondContact O-N 3.15Å; H198-L200 PolarHBondContact O-N 2.78Å
201K90.7Very high72.6Confident39 Ų3976 Ų7617%0.1742%0.419CS..Hα-helixtrans-67.8-37.6175.4-170.2-171.8175.8-1670112.2F27 I70 D71 E73 I75 A197 H198 K199F27-K201 HydrophobicContact CE2-CB 4.2Å; F27-K201 HydrophobicContact CZ-CB 4.23Å; I70-K201 HydrophobicContact CB-CD 4.11Å; I70-K201 HydrophobicContact CG2-CD 3.5Å; I70-K201 PolarHBondContact O-NZ 3.11Å; D71-K201 PolarHBondContact O-NZ 2.88Å; D71-K201 IonicContact OD2-NZ 3.26Å; D71-K201 PolarHBondContact OD2-NZ 3.37Å; E73-K201 WeakPolarHBondContact OE2-CE 3.29Å; I75-K201 HydrophobicContact CD1-CB 4.29Å; I75-K201 HydrophobicContact CD1-CD 3.9Å; I75-K201 HydrophobicContact CD1-CG 4.06Å; A197-K201 WeakPolarHBondContact O-CB 3.06Å; A197-K201 PolarHBondContact O-N 3.43Å; H198-K201 PolarHBondContact O-N 3.3Å; K199-K201 VanDerWaalsContact C-N 3.34Å; K199-K201 PolarHBondContact O-N 2.84Å
202S86.9Confident70Confident92 Ų9280 Ų8064%0.64344%0.441SS*.Hα-helixtrans-74.5-25.7-179.572.80000113.5H198 K199 K204H198-S202 WeakPolarHBondContact O-CB 3.08Å; H198-S202 PolarHBondContact O-N 2.74Å; H198-S202 PolarHBondContact O-OG 2.95Å; K199-S202 WeakPolarHBondContact CA-OG 3.47Å; K199-S202 PolarHBondContact O-N 2.94Å; K199-S202 PolarHBondContact O-OG 3.26Å; S202-K204 PolarHBondContact O-N 3.21Å
203Q80.5Confident67.4Low68 Ų6888.9 Ų88.932%0.31848%0.482SS..SBendtrans-63.8123.5168.5-74.2-179.3-32.800107.8E133 K199E133-Q203 PolarHBondContact O-NE2 2.82Å; K199-Q203 WeakPolarHBondContact O-CG 3.29Å; K199-Q203 PolarHBondContact O-N 3.17Å
204K55.3Low64.7Low190 Ų19092.3 Ų92.383%0.82652%0.518SS*.PPolyproline II helixtrans-47.7136.8-179.1-74.1179-179.8175.80108.8S202 L206S202-K204 PolarHBondContact O-N 3.21Å; K204-L206 PolarHBondContact O-N 3.27Å
205P45.6Very low62Low85 Ų8596.4 Ų96.455%0.55255%0.55SS**PPolyproline II helixtrans-56.4120.1-175.2-5.811000108.7V207P205-V207 VanDerWaalsContact C-N 3.3Å; P205-V207 PolarHBondContact O-N 2.76Å
206L45.9Very low59.6Low137 Ų13797.1 Ų97.172%0.71757%0.572SS**  trans-55.9104.9162.6-71.2172.6000105.7K204 L208K204-L206 PolarHBondContact O-N 3.27Å; L206-L208 PolarHBondContact O-N 3.25Å
207V38.3Very low56.8Low128 Ų12899.8 Ų99.878%0.77660%0.6SS**  trans-54.1115171.9173.90000105.5P205 S209P205-V207 VanDerWaalsContact C-N 3.3Å; P205-V207 PolarHBondContact O-N 2.76Å; V207-S209 PolarHBondContact O-N 3.18Å
208L39.3Very low54.1Low145 Ų145106.1 Ų106.176%0.75964%0.639SS**  trans-64.392.9169.6-156.192.3000105.7L206 Q210L206-L208 PolarHBondContact O-N 3.25Å; L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 3.21Å
209S36Very low51.5Low106 Ų106109.5 Ų109.574%0.74166%0.658SS**  trans-64.799173.553.30000107.3V207V207-S209 PolarHBondContact O-N 3.18Å
210Q38.8Very low48.8Very low143 Ų143110.4 Ų110.467%0.66867%0.672SS**  trans-62.4142.3159.5-75.1-179.5-32.300107.9L208L208-Q210 VanDerWaalsContact C-N 3.34Å; L208-Q210 PolarHBondContact O-N 3.21Å
211P36.6Very low46.1Very low105 Ų105117.8 Ų117.868%0.68271%0.71SS**  trans-60.6147.4167.126.8-31.4000109E213P211-E213 PolarHBondContact O-N 3.23Å
212P38.3Very low43.4Very low131 Ų131121.1 Ų121.185%0.85174%0.739SS**  trans-62.2114.117824.7-31.2000109.5
213E39.2Very low40.9Very low195 Ų195120.9 Ų120.991%0.91175%0.751SS**  trans-74.2123.8161.8-74.5-165.6124.800108.7P211P211-E213 PolarHBondContact O-N 3.23Å
214G36.9Very low38.6Very low76 Ų76121.6 Ų121.678%0.78478%0.776SS**  trans113.392157.100000116.3
215S37Very low37.6Very low120 Ų120123.8 Ų123.884%0.83978%0.779SS**  trans-145.393.4132.4-1780000108.5G217S215-G217 PolarHBondContact O-N 3.03Å; S215-G217 VanDerWaalsContact O-N 3.15Å
216G43.4Very low37.2Very low85 Ų85126.3 Ų126.388%0.87679%0.788SS**  trans-62.1109.7163.300000109
217G34Very low36.8Very low61 Ų61126.7 Ų126.763%0.62979%0.791SS**  trans-117.6103.2169.200000109S215 I219S215-G217 PolarHBondContact O-N 3.03Å; S215-G217 VanDerWaalsContact O-N 3.15Å; G217-I219 PolarHBondContact O-N 3.15Å
218T37.7Very low36.6Very low133 Ų133123.1 Ų123.182%0.81678%0.78SS**  trans-53114.5167.7-61.40000109.9
219I37.9Very low36.3Very low152 Ų152121.8 Ų121.878%0.77978%0.783SS**  trans-92.3103.1167.1-61.2178000107.5G217 L221G217-I219 PolarHBondContact O-N 3.15Å; I219-L221 PolarHBondContact O-N 2.99Å
220T35Very low36.5Very low114 Ų114124.8 Ų124.870%0.69979%0.79SS**  trans-71.2118.3167.5-480000108.5
221L34.3Very low36.2Very low168 Ų168121.4 Ų121.488%0.8879%0.794SS**  trans-79.2115.3170.5-74.4161.5000109.2I219I219-L221 PolarHBondContact O-N 2.99Å
222S34.9Very low35.9Very low110 Ų110120.4 Ų120.477%0.76980%0.803SS**  trans-134.3115.7160.555.40000109
223G33.5Very low35.6Very low87 Ų87118.2 Ų118.290%0.89780%0.804SS**  trans-74.4159.2-179.300000114
224G32.9Very low35.3Very low82 Ų82112.4 Ų112.485%0.84580%0.796SS**  trans-167.3118.317000000109.5
225R35.1Very low35.2Very low237 Ų237120.8 Ų120.889%0.89480%0.804SS**  trans-79168.6-178.3-96170.9152.4164.2-8.3113
226N35.3Very low35.1Very low137 Ų137118.4 Ų118.473%0.73380%0.798SS**  trans79.7146.3153.9-91.741.1000117
227D38Very low34.6Very low145 Ų145127 Ų12778%0.77581%0.805SS**  cis-169.9165.1-8.9-150.2-19.9000105.9
228G33.5Very low34.9Very low53 Ų53129.1 Ų129.155%0.54681%0.81SS.*  trans105101.4148.700000120.1
229S35Very low34.8Very low118 Ų118129.2 Ų129.283%0.82581%0.814SS**  66.7130118.5-39.30000123.6
230D38.3Very low34.8Very low168 Ų168126.6 Ų126.690%0.89881%0.81SS**  trans85.3123.5138.3-90.3-14.1000122.5
231G33.2Very low34.9Very low72 Ų72126.7 Ų126.774%0.74282%0.815SS**  114.689.4116.300000117.9
232G31.3Very low35.1Very low85 Ų85128.6 Ų128.688%0.87684%0.84SS**  73.6121.7125.400000120.9
233G31.7Very low35.1Very low85 Ų85129.6 Ų129.688%0.87684%0.844SS**  106.4104.7128.800000118.3
234G32.2Very low35.2Very low72 Ų72131.8 Ų131.874%0.74284%0.841SS**  94.8121.7119.100000119.5
235R36Very low35.3Very low253 Ų253134.6 Ų134.696%0.95584%0.841SS**  trans81.2132.2147.3-58177-179.8-100.5-2.2116.8
236G33.5Very low35.3Very low69 Ų69128.5 Ų128.571%0.71184%0.837SS**  trans-91.8179.8-17500000114.2
237W34.4Very low35.3Very low266 Ų266128 Ų128100%1.00884%0.844SS**  trans-150.7128152.8-97.3-29.1000109.8
238S38.7Very low35.1Very low106 Ų106126.9 Ų126.974%0.74185%0.849SS**  trans-66.6144.915559.80000109
239C36.4Very low35.3Very low134 Ų134132.1 Ų132.191%0.90587%0.87SS**  trans-139.4122.6154.7-148.10000110.3
240S36.9Very low35.3Very low98 Ų98133.2 Ų133.269%0.68587%0.874SS**  trans-82.4151.8174.7-36.20000110
241S38.4Very low35Very low115 Ų115130.3 Ų130.380%0.80487%0.872SS**  trans26.5123.6148-49.40000120.7
242C37.6Very low35.2Very low209 Ų209135.6 Ų135.6100%1.41288%0.883SS**  -137.30120.3-80.40000107.8

Retrieved 242 of 242 residues in 122.3 ms (Link to these results)