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Eukaryotic translation initiation factor 3 subunit G

RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. This subunit can bind 18S rRNA. RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression. This subunit can bind 18S rRNA.

AlphaFold DB , UniProt , Accession A0A096M9P8, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3G, Length 296 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
1M41.8Very low48.7Very low236 Ų236151.6 Ų151.6100%1.16380%0.795SS**  0121.70-73.5-165.6159.500107.4
2P40.5Very low49.3Very low126 Ų126144.3 Ų144.382%0.81877%0.766SS**  trans-83128.6170.313.42.2000109.4
3S48.1Very low49.8Very low115 Ų115150.2 Ų150.280%0.80477%0.771SS**  trans-65128.3174.8-56.40000110E5S3-E5 PolarHBondContact O-N 3.34Å
4I45.3Very low49.9Very low135 Ų135143.3 Ų143.369%0.69275%0.748SS**  trans-78.2107.4168.8-74.1167.3000106.6Y6I4-Y6 HydrophobicContact CG2-CD2 3.62Å; I4-Y6 HydrophobicContact CG2-CE2 3.5Å; I4-Y6 HydrophobicContact CG2-CG 4.46Å; I4-Y6 PolarHBondContact O-N 3.41Å
5E50.4Low50.1Low187 Ų187139.9 Ų139.987%0.87473%0.731SS**  trans-70.2115.9163-69.4-179168.100107.4S3S3-E5 PolarHBondContact O-N 3.34Å
6Y45.7Very low50Low203 Ų203137.9 Ų137.980%0.79672%0.717SS**  trans-84.1116.3168.9-89.9-92.9000107.8I4 D8I4-Y6 HydrophobicContact CG2-CD2 3.62Å; I4-Y6 HydrophobicContact CG2-CE2 3.5Å; I4-Y6 HydrophobicContact CG2-CG 4.46Å; I4-Y6 PolarHBondContact O-N 3.41Å; Y6-D8 PolarHBondContact O-N 3.12Å
7D44.6Very low50.4Low140 Ų140135.1 Ų135.175%0.74971%0.707SS**  trans-69.9102.1172.6-158.3-46.9000108.9S9D7-S9 PolarHBondContact O-N 3.17Å; D7-S9 VanDerWaalsContact O-N 3.12Å; D7-S9 WeakPolarHBondContact OD1-CB 3.22Å; D7-S9 PolarHBondContact OD1-OG 2.71Å
8D54.8Low50.6Low163 Ų163137 Ų13787%0.87271%0.712SS**  trans-85.250.1-177-134.5-45.6000111.1Y6Y6-D8 PolarHBondContact O-N 3.12Å
9S59.9Low50.5Low88 Ų88139.2 Ų139.262%0.61572%0.718SS**  trans-132.149.4-171.5-37.60000112.3D7D7-S9 PolarHBondContact O-N 3.17Å; D7-S9 VanDerWaalsContact O-N 3.12Å; D7-S9 WeakPolarHBondContact OD1-CB 3.22Å; D7-S9 PolarHBondContact OD1-OG 2.71Å
10K50.6Low50.5Low198 Ų198140.6 Ų140.686%0.86172%0.721SS**  trans-114.5105.7157-72.5-174.6-177.9177.30107.7S12K10-S12 PolarHBondContact O-N 3.33Å
11P54.8Low50.1Low77 Ų77136.7 Ų136.750%0.572%0.716SS.*  trans-53.8136.9175.520.7-29.6000108.4W13 D15P11-W13 PolarHBondContact O-N 2.83Å; P11-D15 HydrophobicContact CB-CB 4.25Å
12S55.6Low50.3Low64 Ų64131.6 Ų131.645%0.44869%0.693SS.*  trans-51.5143.9173.3173.50000108.1K10 A14 D15 Q16K10-S12 PolarHBondContact O-N 3.33Å; S12-A14 CarbonylContact O-C 3.52Å; S12-A14 PolarHBondContact O-N 3.46Å; S12-A14 WeakPolarHBondContact OG-CB 3.43Å; S12-A14 PolarHBondContact OG-N 3.22Å; S12-D15 PolarHBondContact O-N 3.46Å; S12-Q16 PolarHBondContact O-N 3.31Å
13W55.9Low50.8Low220 Ų220134.7 Ų134.783%0.83370%0.697SS**THydrogen-bonded Turntrans-52.3-21170.8-178.160.5000112.2P11 V17P11-W13 PolarHBondContact O-N 2.83Å; W13-V17 WeakPolarHBondContact O-CG2 3.47Å
14A50.3Low51.2Low54 Ų54132.7 Ų132.745%0.44669%0.694SS.*THydrogen-bonded Turntrans-72.4-43.8170.700000113.7S12 V17 E18S12-A14 CarbonylContact O-C 3.52Å; S12-A14 PolarHBondContact O-N 3.46Å; S12-A14 WeakPolarHBondContact OG-CB 3.43Å; S12-A14 PolarHBondContact OG-N 3.22Å; A14-V17 PolarHBondContact O-N 3.42Å; A14-E18 PolarHBondContact O-N 2.91Å
15D53.6Low51.9Low92 Ų92131.3 Ų131.349%0.49269%0.692SS.*Hα-helixtrans-72.8-37-175.9-64.4-36.6000111.7P11 S12 V17 E18 E19P11-D15 HydrophobicContact CB-CB 4.25Å; S12-D15 PolarHBondContact O-N 3.46Å; D15-V17 VanDerWaalsContact C-N 3.27Å; D15-V17 PolarHBondContact O-N 3.2Å; D15-E18 PolarHBondContact O-N 3.35Å; D15-E19 PolarHBondContact O-N 3.24Å
16Q48.7Very low52.7Low108 Ų108125.1 Ų125.151%0.50567%0.665SS.*Hα-helixtrans-72.2-20.2179.6-160.2167.821.600113.2S12S12-Q16 PolarHBondContact O-N 3.31Å
17V55.8Low54Low90 Ų90118.8 Ų118.855%0.54565%0.649SS.*Hα-helixtrans-84-23.9174.81710000111.5W13 A14 D15W13-V17 WeakPolarHBondContact O-CG2 3.47Å; A14-V17 PolarHBondContact O-N 3.42Å; D15-V17 VanDerWaalsContact C-N 3.27Å; D15-V17 PolarHBondContact O-N 3.2Å
18E55.3Low55.1Low170 Ų170116.9 Ų116.979%0.79465%0.646SS**Hα-helixtrans-80.8-25.3176.5-71.7-169.5165.400113A14 D15A14-E18 PolarHBondContact O-N 2.91Å; D15-E18 PolarHBondContact O-N 3.35Å
19E48.8Very low56.1Low178 Ų178112.8 Ų112.883%0.83263%0.629SS**Hα-helixtrans-91.3-20.9-175.5-161.9168.2-171.100114.8D15D15-E19 PolarHBondContact O-N 3.24Å
20E49.5Very low57Low168 Ų168115.7 Ų115.779%0.78563%0.63SS**SBendtrans-124.56.7-166.2-117.3-178.9-175.700117.4
21G43.4Very low58.3Low59 Ų59111.9 Ų111.961%0.60862%0.615SS**SBendtrans-145.191.9-167.200000117.9
22D45.5Very low59.4Low128 Ų128111.5 Ų111.568%0.68461%0.612SS**  trans68.1105.5147.8-151.4-115.4000117.6G24 T25D22-G24 PolarHBondContact O-N 3.35Å; D22-T25 WeakPolarHBondContact OD1-CB 3.49Å; D22-T25 PolarHBondContact OD1-OG1 2.95Å
23E51.3Low60.5Low191 Ų191113.7 Ų113.789%0.89362%0.617SS**SBendtrans-41.4100.2163.8-168172.2179.200112.4T25E23-T25 PolarHBondContact O-N 2.99Å; E23-T25 VanDerWaalsContact O-N 3.17Å
24G55.1Low61.5Low73 Ų73110.9 Ų110.975%0.75361%0.611SS**SBendtrans80.5-6.2153.600000118.7D22 L26D22-G24 PolarHBondContact O-N 3.35Å; G24-L26 PolarHBondContact O-N 3.39Å
25T60.4Low63Low106 Ų106111.2 Ų111.265%0.6562%0.62SS**  trans-92.3108.2-174.2-32.90000112.7D22 E23D22-T25 WeakPolarHBondContact OD1-CB 3.49Å; D22-T25 PolarHBondContact OD1-OG1 2.95Å; E23-T25 PolarHBondContact O-N 2.99Å; E23-T25 VanDerWaalsContact O-N 3.17Å
26L66.8Low64.1Low58 Ų58112.2 Ų112.230%0.30463%0.625SS.*PPolyproline II helixtrans-63.7139.8170.7-69.8163.8000110.6G24 I45G24-L26 PolarHBondContact O-N 3.39Å; L26-I45 HydrophobicContact CD1-CD1 3.91Å; L26-I45 HydrophobicContact CD1-CG1 3.96Å; L26-I45 HydrophobicContact CD2-CD1 4.08Å; L26-I45 HydrophobicContact CD2-CG1 3.98Å; L26-I45 HydrophobicContact CG-CD1 3.98Å; L26-I45 HydrophobicContact CG-CG1 4.26Å
27P73.9Confident65.4Low70 Ų70111 Ų11146%0.45562%0.621SS.*PPolyproline II helixtrans-67.6139.6-179.927-33.7000111.3Y43P27-Y43 HydrophobicContact CG-CD2 3.54Å; P27-Y43 HydrophobicContact CG-CE2 3.86Å; P27-Y43 HydrophobicContact CG-CG 4.13Å
28S68.5Low66.6Low99 Ų99109.1 Ų109.169%0.69261%0.606SS**PPolyproline II helixtrans-54.2143.1179.2-58.90000112.4K30S28-K30 PolarHBondContact O-N 3.49Å
29P74.3Confident67.8Low78 Ų78102.6 Ų102.651%0.50658%0.578SS.*PPolyproline II helixtrans-53.8132.8-179.7-26.333.7000112.7T41 E42P29-T41 WeakPolarHBondContact CA-O 3.49Å; P29-E42 HydrophobicContact CG-CG 4.38Å
30K78.4Confident69.4Low148 Ų14895 Ų9564%0.64354%0.544SS*.EExtended strand (participates in β ladder)trans-103.7130.1177.3-67.8-176.6-178.1177.60110.3S28 V40 T41S28-K30 PolarHBondContact O-N 3.49Å; K30-V40 WeakPolarHBondContact O-CA 3.34Å; K30-T41 PolarHBondContact N-O 3.2Å; K30-T41 PolarHBondContact O-N 3.18Å
31E78Confident70.9Confident118 Ų11888.2 Ų88.255%0.55151%0.513SS*.EExtended strand (participates in β ladder)trans-104.5129.8173.5-53.6-16314800110.2K38 V40E31-K38 VanDerWaalsContact OE1-CE 3.3Å; E31-K38 WeakPolarHBondContact OE1-CE 3.19Å; E31-K38 IonicContact OE1-NZ 3.45Å; E31-K38 PolarHBondContact OE1-NZ 2.86Å; E31-K38 WeakPolarHBondContact OE2-CE 3.47Å; E31-K38 IonicContact OE2-NZ 3.32Å; E31-K38 PolarHBondContact OE2-NZ 3.46Å; E31-V40 HydrophobicContact CG-CG2 4.19Å
32T79.5Confident72.8Confident70 Ų7088.5 Ų88.543%0.42950%0.499SS..EExtended strand (participates in β ladder)trans-128.2125.5173.3-53.10000109.4K34 T39T32-K34 HydrophobicContact CG2-CG 4.27Å; T32-T39 PolarHBondContact N-O 3.33Å; T32-T39 PolarHBondContact O-N 3.18Å
33I77.7Confident74.5Confident109 Ų10986.5 Ų86.556%0.55948%0.482SS*.EExtended strand (participates in β ladder)trans-106.2113.3179.7-56.9173000108.1K38I33-K38 HydrophobicContact CG1-CB 4.29Å; I33-K38 HydrophobicContact CG1-CG 4.16Å
34K78Confident75.8Confident161 Ų16183 Ų8370%0.746%0.464SS*.EExtended strand (participates in β ladder)trans-114.697.2174.3-67.8-174.2-179.3-178.10108.8T32 N36 I37T32-K34 HydrophobicContact CG2-CG 4.27Å; K34-N36 PolarHBondContact O-N 2.96Å; K34-N36 VanDerWaalsContact O-N 3.13Å; K34-I37 PolarHBondContact N-O 2.98Å; K34-I37 PolarHBondContact O-N 3.17Å
35G81.2Confident77Confident62 Ų6282.9 Ų82.964%0.63945%0.446SS*.THydrogen-bonded Turntrans57.9-115.5-177.400000111.7
36N75.9Confident77.8Confident113 Ų11381 Ų8160%0.60443%0.432SS*.THydrogen-bonded Turntrans-90.67.4-178.1-64.822.5000113.5K34 K59 I60K34-N36 PolarHBondContact O-N 2.96Å; K34-N36 VanDerWaalsContact O-N 3.13Å; N36-K59 CarbonylContact O-C 3.6Å; N36-K59 WeakPolarHBondContact O-CA 3.24Å; N36-I60 PolarHBondContact O-N 2.83Å
37I76.9Confident78.1Confident82 Ų8286.8 Ų86.842%0.42146%0.463SS..EExtended strand (participates in β ladder)trans-121.7118-179.2-56.2174.2000109.1K34 T57 F58K34-I37 PolarHBondContact N-O 2.98Å; K34-I37 PolarHBondContact O-N 3.17Å; I37-T57 HydrophobicContact CG2-CG2 4.45Å; I37-F58 CarbonylContact C-O 3.55Å; I37-F58 WeakPolarHBondContact CA-O 3.34Å
38K79.6Confident78.3Confident50 Ų5090.2 Ų90.222%0.21748%0.477CS..EExtended strand (participates in β ladder)trans-95.4117.7169.5172.9179.6179.91780108.5E31 I33 V40 T57 F58 I60E31-K38 VanDerWaalsContact OE1-CE 3.3Å; E31-K38 WeakPolarHBondContact OE1-CE 3.19Å; E31-K38 IonicContact OE1-NZ 3.45Å; E31-K38 PolarHBondContact OE1-NZ 2.86Å; E31-K38 WeakPolarHBondContact OE2-CE 3.47Å; E31-K38 IonicContact OE2-NZ 3.32Å; E31-K38 PolarHBondContact OE2-NZ 3.46Å; I33-K38 HydrophobicContact CG1-CB 4.29Å; I33-K38 HydrophobicContact CG1-CG 4.16Å; K38-V40 HydrophobicContact CD-CG2 4.49Å; K38-V40 HydrophobicContact CG-CG2 4.29Å; K38-T57 CarbonylContact O-C 3.59Å; K38-F58 HydrophobicContact CB-CB 4.21Å; K38-F58 HydrophobicContact CG-CD2 4.44Å; K38-F58 PolarHBondContact N-O 3.07Å; K38-F58 PolarHBondContact O-N 3.28Å; K38-I60 HydrophobicContact CB-CD1 4.22Å
39T81.3Confident78.4Confident34 Ų3488.1 Ų88.121%0.20947%0.471CS..EExtended strand (participates in β ladder)trans-102.6123.1175-54.30000109.3T32 V55 R56 T57T32-T39 PolarHBondContact N-O 3.33Å; T32-T39 PolarHBondContact O-N 3.18Å; T39-V55 HydrophobicContact CG2-CG1 3.5Å; T39-R56 CarbonylContact C-O 3.59Å; T39-R56 WeakPolarHBondContact CA-O 3.28Å; T39-T57 HydrophobicContact CG2-CG2 4.02Å
40V81.4Confident78.6Confident19 Ų1991.4 Ų91.412%0.11548%0.478CS..EExtended strand (participates in β ladder)trans-108.6121.7173.7-177.90000107.9K30 E31 K38 R56 F58K30-V40 WeakPolarHBondContact O-CA 3.34Å; E31-V40 HydrophobicContact CG-CG2 4.19Å; K38-V40 HydrophobicContact CD-CG2 4.49Å; K38-V40 HydrophobicContact CG-CG2 4.29Å; V40-R56 PolarHBondContact N-O 2.98Å; V40-R56 PolarHBondContact O-N 2.82Å; V40-F58 HydrophobicContact CB-CE2 4.18Å; V40-F58 HydrophobicContact CG2-CD2 4.05Å; V40-F58 HydrophobicContact CG2-CE2 3.67Å
41T82.6Confident78.6Confident24 Ų2492.5 Ų92.515%0.14748%0.483CS..EExtended strand (participates in β ladder)trans-108.7119.3177-56.80000109.1P29 K30 Y43 K53 V55P29-T41 WeakPolarHBondContact CA-O 3.49Å; K30-T41 PolarHBondContact N-O 3.2Å; K30-T41 PolarHBondContact O-N 3.18Å; T41-Y43 HydrophobicContact CG2-CE2 4.01Å; T41-K53 HydrophobicContact CG2-CD 4.27Å; T41-K53 HydrophobicContact CG2-CG 4Å; T41-V55 HydrophobicContact CG2-CG2 4.35Å
42E81.9Confident78.7Confident65 Ų6588.4 Ų88.430%0.30447%0.467SS..EExtended strand (participates in β ladder)trans-123.1147.3178.3-179.7175.5-156.900108.8P29 I54 R56P29-E42 HydrophobicContact CG-CG 4.38Å; E42-I54 PolarHBondContact N-O 3.02Å; E42-I54 PolarHBondContact O-N 2.89Å; E42-R56 IonicContact OE2-CZ 3.8Å; E42-R56 IonicContact OE2-NH1 2.78Å; E42-R56 PolarHBondContact OE2-NH1 2.8Å; E42-R56 IonicContact OE2-NH2 3.98Å
43Y82Confident78.7Confident86 Ų8691.1 Ų91.134%0.33747%0.473SS..EExtended strand (participates in β ladder)trans-113.8133.8174.1-62.4-93.7000107.9P27 T41 S52 K53P27-Y43 HydrophobicContact CG-CD2 3.54Å; P27-Y43 HydrophobicContact CG-CE2 3.86Å; P27-Y43 HydrophobicContact CG-CG 4.13Å; T41-Y43 HydrophobicContact CG2-CE2 4.01Å; Y43-S52 WeakPolarHBondContact CA-O 3.14Å; Y43-K53 HydrophobicContact CD1-CB 3.99Å; Y43-K53 HydrophobicContact CD1-CG 4.08Å; Y43-K53 HydrophobicContact CE1-CB 3.89Å; Y43-K53 HydrophobicContact CE1-CD 3.87Å; Y43-K53 HydrophobicContact CE1-CG 3.65Å
44K77.5Confident78.8Confident117 Ų11788.2 Ų88.251%0.50946%0.458SS..EExtended strand (participates in β ladder)trans-128.5150.3177.1-165.2-178.5175.7-165.50109.1K51 S52 I54K44-K51 CarbonylContact O-C 3.52Å; K44-K51 WeakPolarHBondContact O-CA 3.25Å; K44-S52 PolarHBondContact N-O 3.09Å; K44-S52 PolarHBondContact O-N 3Å; K44-S52 PolarHBondContact O-OG 3.36Å; K44-I54 HydrophobicContact CB-CD1 4.05Å; K44-I54 HydrophobicContact CD-CD1 4.44Å
45I81.7Confident79Confident72 Ų7284.2 Ų84.237%0.36945%0.447SS..EExtended strand (participates in β ladder)trans-99.8123.4168.3-65.6157.8000106.4L26 K50 K51L26-I45 HydrophobicContact CD1-CD1 3.91Å; L26-I45 HydrophobicContact CD1-CG1 3.96Å; L26-I45 HydrophobicContact CD2-CD1 4.08Å; L26-I45 HydrophobicContact CD2-CG1 3.98Å; L26-I45 HydrophobicContact CG-CD1 3.98Å; L26-I45 HydrophobicContact CG-CG1 4.26Å; I45-K50 WeakPolarHBondContact CA-O 3.32Å; I45-K51 HydrophobicContact CG1-CG 4.05Å
46D76.5Confident78.8Confident67 Ų6785.2 Ų85.236%0.35843%0.431SS..  trans-79.2165.1175.7-64.6-41.9000110.5D48 G49 K50 S52D46-D48 PolarHBondContact O-N 3.37Å; D46-G49 PolarHBondContact O-N 3.17Å; D46-K50 PolarHBondContact N-O 3.49Å; D46-S52 PolarHBondContact OD1-OG 3.25Å; D46-S52 VanDerWaalsContact OD2-CB 3.25Å; D46-S52 WeakPolarHBondContact OD2-CB 3.4Å; D46-S52 PolarHBondContact OD2-OG 2.75Å
47D72.8Confident78.9Confident178 Ų17884.5 Ų84.595%0.95243%0.431SS*.THydrogen-bonded Turntrans-59-19.3-173.7-64.3-34.8000113.7G49D47-G49 VanDerWaalsContact C-N 3.33Å
48D77.8Confident79Confident142 Ų14283.8 Ų83.876%0.75943%0.425SS*.THydrogen-bonded Turntrans-87.79.7174.6-61.2-52.4000114.1D46 K50D46-D48 PolarHBondContact O-N 3.37Å; D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.45Å
49G72Confident79Confident55 Ų5589.4 Ų89.457%0.56745%0.45SS*.SBendtrans75.76.6179.500000115.1D46 D47D46-G49 PolarHBondContact O-N 3.17Å; D47-G49 VanDerWaalsContact C-N 3.33Å
50K77.1Confident78.9Confident148 Ų14891.8 Ų91.864%0.64346%0.46SS*.  trans-85.7134.3178-68177.3-176.9168.60111I45 D46 D48 S52I45-K50 WeakPolarHBondContact CA-O 3.32Å; D46-K50 PolarHBondContact N-O 3.49Å; D48-K50 VanDerWaalsContact C-N 3.26Å; D48-K50 PolarHBondContact O-N 3.45Å; K50-S52 PolarHBondContact O-N 3.41Å
51K79.4Confident78.9Confident171 Ų17196 Ų9674%0.74348%0.478SS*.EExtended strand (participates in β ladder)trans-79114.7175.3-64.9175.2-177173.30109.8K44 I45K44-K51 CarbonylContact O-C 3.52Å; K44-K51 WeakPolarHBondContact O-CA 3.25Å; I45-K51 HydrophobicContact CG1-CG 4.05Å
52S79.7Confident78.8Confident31 Ų31101.4 Ų101.422%0.21751%0.512CS..EExtended strand (participates in β ladder)trans-103.4137173.859.90000111.7Y43 K44 D46 K50Y43-S52 WeakPolarHBondContact CA-O 3.14Å; K44-S52 PolarHBondContact N-O 3.09Å; K44-S52 PolarHBondContact O-N 3Å; K44-S52 PolarHBondContact O-OG 3.36Å; D46-S52 PolarHBondContact OD1-OG 3.25Å; D46-S52 VanDerWaalsContact OD2-CB 3.25Å; D46-S52 WeakPolarHBondContact OD2-CB 3.4Å; D46-S52 PolarHBondContact OD2-OG 2.75Å; K50-S52 PolarHBondContact O-N 3.41Å
53K80.4Confident78.8Confident127 Ų127107.1 Ų107.155%0.55253%0.53SS*.EExtended strand (participates in β ladder)trans-99.6114.4175.8-177.6-175.5-178.31790109.4T41 Y43 V55T41-K53 HydrophobicContact CG2-CD 4.27Å; T41-K53 HydrophobicContact CG2-CG 4Å; Y43-K53 HydrophobicContact CD1-CB 3.99Å; Y43-K53 HydrophobicContact CD1-CG 4.08Å; Y43-K53 HydrophobicContact CE1-CB 3.89Å; Y43-K53 HydrophobicContact CE1-CD 3.87Å; Y43-K53 HydrophobicContact CE1-CG 3.65Å; K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.1Å
54I79.4Confident79.2Confident48 Ų48113.5 Ų113.525%0.24656%0.56CS.*EExtended strand (participates in β ladder)trans-98.7110.6179.5-55.9172.2000108.2E42 K44 R56E42-I54 PolarHBondContact N-O 3.02Å; E42-I54 PolarHBondContact O-N 2.89Å; K44-I54 HydrophobicContact CB-CD1 4.05Å; K44-I54 HydrophobicContact CD-CD1 4.44Å; I54-R56 HydrophobicContact CG2-CG 4.02Å
55V81.1Confident79.8Confident77 Ų77110.4 Ų110.447%0.46756%0.556SS.*EExtended strand (participates in β ladder)trans-105.4108.9175.6-176.60000108.8T39 T41 K53T39-V55 HydrophobicContact CG2-CG1 3.5Å; T41-V55 HydrophobicContact CG2-CG2 4.35Å; K53-V55 HydrophobicContact CD-CG2 4.23Å; K53-V55 HydrophobicContact CG-CG2 4.1Å
56R77.1Confident80.5Confident83 Ų83110.3 Ų110.331%0.31356%0.562SS.*EExtended strand (participates in β ladder)trans-102.2127.2176-61.5-173.7-178107.7-2.2109.9T39 V40 E42 I54 F58T39-R56 CarbonylContact C-O 3.59Å; T39-R56 WeakPolarHBondContact CA-O 3.28Å; V40-R56 PolarHBondContact N-O 2.98Å; V40-R56 PolarHBondContact O-N 2.82Å; E42-R56 IonicContact OE2-CZ 3.8Å; E42-R56 IonicContact OE2-NH1 2.78Å; E42-R56 PolarHBondContact OE2-NH1 2.8Å; E42-R56 IonicContact OE2-NH2 3.98Å; I54-R56 HydrophobicContact CG2-CG 4.02Å; R56-F58 HydrophobicContact CB-CE2 3.94Å; R56-F58 HydrophobicContact CB-CZ 4.23Å
57T78.2Confident81.3Confident99 Ų99115.7 Ų115.761%0.60758%0.582SS**EExtended strand (participates in β ladder)trans-109.6123.1176.451.50000110.3I37 K38 T39I37-T57 HydrophobicContact CG2-CG2 4.45Å; K38-T57 CarbonylContact O-C 3.59Å; T39-T57 HydrophobicContact CG2-CG2 4.02Å
58F78.9Confident82.3Confident67 Ų67109.7 Ų109.729%0.29456%0.557SS.*EExtended strand (participates in β ladder)trans-108.3117.3178.7-60.5-86.1000109.3I37 K38 V40 R56 I60 P88I37-F58 CarbonylContact C-O 3.55Å; I37-F58 WeakPolarHBondContact CA-O 3.34Å; K38-F58 HydrophobicContact CB-CB 4.21Å; K38-F58 HydrophobicContact CG-CD2 4.44Å; K38-F58 PolarHBondContact N-O 3.07Å; K38-F58 PolarHBondContact O-N 3.28Å; V40-F58 HydrophobicContact CB-CE2 4.18Å; V40-F58 HydrophobicContact CG2-CD2 4.05Å; V40-F58 HydrophobicContact CG2-CE2 3.67Å; R56-F58 HydrophobicContact CB-CE2 3.94Å; R56-F58 HydrophobicContact CB-CZ 4.23Å; F58-I60 PolarHBondContact O-N 3.34Å; F58-P88 HydrophobicContact CE1-CG 4.45Å
59K80.8Confident82.9Confident168 Ų168105.1 Ų105.173%0.7353%0.534SS*.EExtended strand (participates in β ladder)trans-81.9112171.1-172.5179.2179.5-178.40109.4N36 E61N36-K59 CarbonylContact O-C 3.6Å; N36-K59 WeakPolarHBondContact O-CA 3.24Å; K59-E61 PolarHBondContact O-N 3.3Å
60I78.6Confident83.7Confident84 Ų84104.6 Ų104.643%0.43153%0.525SS..  trans-79.8106174.4-55.7174.8000107.6N36 K38 F58N36-I60 PolarHBondContact O-N 2.83Å; K38-I60 HydrophobicContact CB-CD1 4.22Å; F58-I60 PolarHBondContact O-N 3.34Å
61E81.3Confident84.3Confident107 Ų107106 Ų10650%0.553%0.526SS..  trans-110.2120.8176.4-166.3-168.3152.500110.3K59 R63K59-E61 PolarHBondContact O-N 3.3Å; E61-R63 VanDerWaalsContact CD-NE 3.27Å; E61-R63 HydrophobicContact CG-CG 4.28Å; E61-R63 PolarHBondContact O-N 3.29Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 2.8Å; E61-R63 IonicContact OE1-NE 2.84Å; E61-R63 PolarHBondContact OE1-NE 3.37Å; E61-R63 IonicContact OE1-NH2 3.51Å; E61-R63 PolarHBondContact OE1-NH2 2.77Å; E61-R63 IonicContact OE2-CZ 2.8Å; E61-R63 IonicContact OE2-NE 3.59Å; E61-R63 PolarHBondContact OE2-NE 3.28Å; E61-R63 IonicContact OE2-NH2 2.8Å; E61-R63 PolarHBondContact OE2-NH2 3.39Å
62T80.4Confident84.9Confident138 Ų138104.6 Ų104.685%0.84752%0.516SS*.  trans-85.1104.5174.8-530000109.8
63R83.2Confident85.3Confident184 Ų184110.6 Ų110.669%0.69454%0.538SS*.  trans-99.6139173.5-67.2-170.6-179.1168.49.9111.6E61 A65E61-R63 VanDerWaalsContact CD-NE 3.27Å; E61-R63 HydrophobicContact CG-CG 4.28Å; E61-R63 PolarHBondContact O-N 3.29Å; E61-R63 WeakPolarHBondContact OE1-CG 3.39Å; E61-R63 IonicContact OE1-CZ 2.8Å; E61-R63 IonicContact OE1-NE 2.84Å; E61-R63 PolarHBondContact OE1-NE 3.37Å; E61-R63 IonicContact OE1-NH2 3.51Å; E61-R63 PolarHBondContact OE1-NH2 2.77Å; E61-R63 IonicContact OE2-CZ 2.8Å; E61-R63 IonicContact OE2-NE 3.59Å; E61-R63 PolarHBondContact OE2-NE 3.28Å; E61-R63 IonicContact OE2-NH2 2.8Å; E61-R63 PolarHBondContact OE2-NH2 3.39Å; R63-A65 PolarHBondContact O-N 3.26Å
64K90.5Very high85.5Confident220 Ų220111.5 Ų111.596%0.95755%0.549SS*.  trans-64.1131.2171.1-67.7-178.4-179.4177.20109.1
65A89.6Confident86.1Confident53 Ų53117.7 Ų117.744%0.43857%0.57SS.*  trans-129.6157.2177.700000110.3R63 V69R63-A65 PolarHBondContact O-N 3.26Å; A65-V69 HydrophobicContact CB-CB 4.18Å; A65-V69 HydrophobicContact CB-CG1 3.92Å
66S95.1Very high86.5Confident69 Ų69121.4 Ų121.448%0.48358%0.579SS.*  trans-64.7155.5176.1710000111.5A68 V69 A70S66-A68 PolarHBondContact O-N 3.13Å; S66-V69 PolarHBondContact O-N 3.14Å; S66-V69 VanDerWaalsContact OG-CG2 3.29Å; S66-V69 WeakPolarHBondContact OG-CG2 3.42Å; S66-V69 PolarHBondContact OG-N 3.3Å; S66-A70 PolarHBondContact O-N 3.06Å
67K93.9Very high87.1Confident180 Ų180120.7 Ų120.778%0.78358%0.579SS**Hα-helixtrans-55.2-37.4-179-170.4174.9-177.41770112.5R71K67-R71 WeakPolarHBondContact O-CG 3.36Å; K67-R71 PolarHBondContact O-N 3.11Å; K67-R71 VanDerWaalsContact O-N 3.14Å
68A93.4Very high87.8Confident52 Ų52124.1 Ų124.143%0.4359%0.585SS.*Hα-helixtrans-67.4-42.3176.700000112.4S66 R71 R72S66-A68 PolarHBondContact O-N 3.13Å; A68-R71 PolarHBondContact O-N 3.18Å; A68-R72 PolarHBondContact O-N 2.87Å
69V91.7Very high88.5Confident46 Ų46123.4 Ų123.428%0.27960%0.597SS.*Hα-helixtrans-67-43177.9173.10000110.9A65 S66 R71 R72 K73A65-V69 HydrophobicContact CB-CB 4.18Å; A65-V69 HydrophobicContact CB-CG1 3.92Å; S66-V69 PolarHBondContact O-N 3.14Å; S66-V69 VanDerWaalsContact OG-CG2 3.29Å; S66-V69 WeakPolarHBondContact OG-CG2 3.42Å; S66-V69 PolarHBondContact OG-N 3.3Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.79Å; V69-R72 PolarHBondContact O-N 3.31Å; V69-K73 HydrophobicContact CG1-CD 4.24Å; V69-K73 HydrophobicContact CG1-CG 4.37Å; V69-K73 WeakPolarHBondContact O-CG 3.38Å; V69-K73 PolarHBondContact O-N 3.29Å
70A87.6Confident88.8Confident45 Ų45123.6 Ų123.637%0.37261%0.606SS.*Hα-helixtrans-59.6-42.4176.900000112.1S66 R72 K73 N74S66-A70 PolarHBondContact O-N 3.06Å; A70-R72 PolarHBondContact O-N 3.06Å; A70-K73 PolarHBondContact O-N 3.26Å; A70-N74 PolarHBondContact O-N 3.27Å
71R90.4Very high89.2Confident177 Ų177121.8 Ų121.867%0.66860%0.601SS**Hα-helixtrans-59.8-44.5175.2-75.517567.8-162.71112.4K67 A68 V69 N74 W75K67-R71 WeakPolarHBondContact O-CG 3.36Å; K67-R71 PolarHBondContact O-N 3.11Å; K67-R71 VanDerWaalsContact O-N 3.14Å; A68-R71 PolarHBondContact O-N 3.18Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.79Å; R71-N74 PolarHBondContact O-N 3.44Å; R71-W75 PolarHBondContact O-NE1 3.42Å
72R91.8Very high89.5Confident142 Ų142121.7 Ų121.754%0.53660%0.6SS.*Hα-helixtrans-69.5-35.5179.9-71.2-167.5-64.9-116.93.8113.1A68 V69 A70 N74 W75A68-R72 PolarHBondContact O-N 2.87Å; V69-R72 PolarHBondContact O-N 3.31Å; A70-R72 PolarHBondContact O-N 3.06Å; R72-N74 PolarHBondContact O-N 3.08Å; R72-W75 HydrophobicContact CB-CD2 4.47Å; R72-W75 HydrophobicContact CG-CD2 4.4Å; R72-W75 HydrophobicContact CG-CE3 4.49Å; R72-W75 HydrophobicContact CG-CH2 3.96Å; R72-W75 HydrophobicContact CG-CZ2 3.82Å; R72-W75 HydrophobicContact CG-CZ3 4.29Å; R72-W75 WeakPolarHBondContact O-CB 3.21Å; R72-W75 PolarHBondContact O-N 2.82Å
73K87.1Confident89.8Confident157 Ų157126.6 Ų126.668%0.68360%0.604SS**Hα-helixtrans-64.7-22.9177.1-75.8-172.1174.4-168.90113.5V69 A70V69-K73 HydrophobicContact CG1-CD 4.24Å; V69-K73 HydrophobicContact CG1-CG 4.37Å; V69-K73 WeakPolarHBondContact O-CG 3.38Å; V69-K73 PolarHBondContact O-N 3.29Å; A70-K73 PolarHBondContact O-N 3.26Å
74N86.6Confident89.9Confident146 Ų146119.8 Ų119.878%0.78158%0.581SS**THydrogen-bonded Turntrans-94.98.9177.6-72.25.6000113.5A70 R71 R72A70-N74 PolarHBondContact O-N 3.27Å; R71-N74 PolarHBondContact O-N 3.44Å; R72-N74 PolarHBondContact O-N 3.08Å
75W90.1Very high89.6Confident177 Ų177114 Ų11467%0.6757%0.566SS**SBendtrans-68.7139175.5-72.5-2.9000111R71 R72 K77R71-W75 PolarHBondContact O-NE1 3.42Å; R72-W75 HydrophobicContact CB-CD2 4.47Å; R72-W75 HydrophobicContact CG-CD2 4.4Å; R72-W75 HydrophobicContact CG-CE3 4.49Å; R72-W75 HydrophobicContact CG-CH2 3.96Å; R72-W75 HydrophobicContact CG-CZ2 3.82Å; R72-W75 HydrophobicContact CG-CZ3 4.29Å; R72-W75 WeakPolarHBondContact O-CB 3.21Å; R72-W75 PolarHBondContact O-N 2.82Å; W75-K77 PolarHBondContact O-N 2.93Å
76K90.8Very high89.1Confident155 Ų155117.7 Ų117.767%0.67459%0.585SS**PPolyproline II helixtrans-62.6132.6173.1-162.8-168.3-179.6-158.60108.2E82K76-E82 IonicContact NZ-OE1 2.92Å; K76-E82 PolarHBondContact NZ-OE1 2.76Å
77K90.3Very high88.3Confident68 Ų68116.6 Ų116.630%0.29659%0.585SS.*PPolyproline II helixtrans-62.8150.7170.4-62.3-178.6175.1-177.40109.3W75 S81 D84 P85 G87W75-K77 PolarHBondContact O-N 2.93Å; K77-S81 WeakPolarHBondContact CB-O 3.38Å; K77-S81 WeakPolarHBondContact CD-O 3.18Å; K77-D84 HydrophobicContact CD-CB 3.78Å; K77-P85 PolarHBondContact NZ-O 3.45Å; K77-G87 PolarHBondContact NZ-O 3.07Å
78F92.4Very high87.6Confident171 Ų171112 Ų11275%0.7557%0.574SS**  trans-139.6167.8-176.560.4-91.3000110.8S81F78-S81 PolarHBondContact O-N 2.85Å
79G92.5Very high86.8Confident53 Ų53111.8 Ų111.855%0.54657%0.565SS.*G310 helixtrans62.7-136.4-177.900000111.8S81 E82G79-S81 PolarHBondContact O-N 2.78Å; G79-S81 VanDerWaalsContact O-N 3.07Å; G79-E82 WeakPolarHBondContact O-CB 3.34Å; G79-E82 PolarHBondContact O-N 2.91Å; G79-E82 VanDerWaalsContact O-N 3.1Å
80N88.1Confident85.9Confident172 Ų172113.8 Ų113.892%0.9258%0.577SS**G310 helixtrans-62.9-17.3-177.3-65.6-8.5000114
81S86.3Confident85.4Confident45 Ų45115.8 Ų115.832%0.31559%0.594SS.*G310 helixtrans-103.38.1178.6-73.60000113.9K77 F78 G79 R83 D84K77-S81 WeakPolarHBondContact CB-O 3.38Å; K77-S81 WeakPolarHBondContact CD-O 3.18Å; F78-S81 PolarHBondContact O-N 2.85Å; G79-S81 PolarHBondContact O-N 2.78Å; G79-S81 VanDerWaalsContact O-N 3.07Å; S81-R83 PolarHBondContact O-N 2.92Å; S81-D84 WeakPolarHBondContact CA-OD2 3.45Å; S81-D84 VanDerWaalsContact CB-OD2 3.27Å; S81-D84 WeakPolarHBondContact CB-OD2 3.42Å; S81-D84 WeakPolarHBondContact O-CB 3.36Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 3Å
82E88.1Confident84.5Confident105 Ų105112.4 Ų112.449%0.49159%0.593SS.*THydrogen-bonded Turntrans-57-35.4-176.4179.5169.7-162.500113.6K76 G79K76-E82 IonicContact NZ-OE1 2.92Å; K76-E82 PolarHBondContact NZ-OE1 2.76Å; G79-E82 WeakPolarHBondContact O-CB 3.34Å; G79-E82 PolarHBondContact O-N 2.91Å; G79-E82 VanDerWaalsContact O-N 3.1Å
83R86.4Confident83.8Confident242 Ų242108.9 Ų108.991%0.91359%0.587SS**THydrogen-bonded Turntrans-92.2-0.2-179.8-63.1-173.6179.7-177.70.3113.6S81S81-R83 PolarHBondContact O-N 2.92Å
84D85.3Confident83.2Confident40 Ų40107 Ų10721%0.21459%0.589CS.*PPolyproline II helixtrans-73.2136.3-177.3-70.9-13.9000110.8K77 S81 N89K77-D84 HydrophobicContact CD-CB 3.78Å; S81-D84 WeakPolarHBondContact CA-OD2 3.45Å; S81-D84 VanDerWaalsContact CB-OD2 3.27Å; S81-D84 WeakPolarHBondContact CB-OD2 3.42Å; S81-D84 WeakPolarHBondContact O-CB 3.36Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 3Å; D84-N89 PolarHBondContact OD1-ND2 2.96Å; D84-N89 PolarHBondContact OD2-ND2 3.36Å
85P83.2Confident82.5Confident98 Ų98106.7 Ų106.764%0.63659%0.592SS**PPolyproline II helixtrans-64158.617626.9-34.1000111.8K77 G87K77-P85 PolarHBondContact NZ-O 3.45Å; P85-G87 PolarHBondContact O-N 3.49Å
86P80.5Confident81.5Confident132 Ų132102.5 Ų102.586%0.85759%0.59SS**SBendtrans-58.2129.4172.4-23.433.9000111.4
87G77.2Confident81.1Confident46 Ų46101.5 Ų101.547%0.47459%0.592SS.*SBendtrans121.2176.3-177.500000113.4K77 P85K77-G87 PolarHBondContact NZ-O 3.07Å; P85-G87 PolarHBondContact O-N 3.49Å
88P79.4Confident80.7Confident84 Ų84105 Ų10555%0.54561%0.614SS.*  trans-67.4134.3177.228.3-32.7000110F58 T93F58-P88 HydrophobicContact CE1-CG 4.45Å; P88-T93 HydrophobicContact CB-CG2 4.01Å
89N78.1Confident80.2Confident46 Ų46102.3 Ų102.325%0.24661%0.611CS.*  trans-90.2129.1171.4-170.3-17.3000108D84 A91 T92 T93D84-N89 PolarHBondContact OD1-ND2 2.96Å; D84-N89 PolarHBondContact OD2-ND2 3.36Å; N89-A91 PolarHBondContact O-N 2.86Å; N89-A91 PolarHBondContact OD1-N 2.8Å; N89-T92 PolarHBondContact O-N 3.34Å; N89-T92 PolarHBondContact O-OG1 3.19Å; N89-T93 PolarHBondContact O-N 3.2Å; N89-T93 PolarHBondContact O-OG1 3.49Å
90V72.6Confident79.8Confident89 Ų89108.9 Ų108.954%0.53963%0.625SS.*THydrogen-bonded Turntrans-62.2-23-179.4-66.60000112.7T92V90-T92 VanDerWaalsContact C-N 3.31Å; V90-T92 PolarHBondContact O-N 3.49Å
91A75.7Confident79.4Confident86 Ų86107 Ų10771%0.71161%0.612SS**THydrogen-bonded Turntrans-71.9-22.217600000113.6N89N89-A91 PolarHBondContact O-N 2.86Å; N89-A91 PolarHBondContact OD1-N 2.8Å
92T72.6Confident79.1Confident106 Ų106109.1 Ų109.165%0.6562%0.624SS**THydrogen-bonded Turntrans-124.8-16-171.657.20000114.3N89 V90N89-T92 PolarHBondContact O-N 3.34Å; N89-T92 PolarHBondContact O-OG1 3.19Å; V90-T92 VanDerWaalsContact C-N 3.31Å; V90-T92 PolarHBondContact O-N 3.49Å
93T75.8Confident78.5Confident69 Ų69112.7 Ų112.742%0.42364%0.638SS.*  trans-122.3110.4-174.6-48.90000110P88 N89P88-T93 HydrophobicContact CB-CG2 4.01Å; N89-T93 PolarHBondContact O-N 3.2Å; N89-T93 PolarHBondContact O-OG1 3.49Å
94T76.3Confident78.3Confident118 Ų118104.1 Ų104.172%0.72461%0.609SS**  trans-81.5142.916451.40000109.2
95V71.5Confident77.9Confident139 Ų139107.6 Ų107.684%0.84264%0.637SS**SBendtrans-73.8-34.4-166.6179.10000112.1
96S68.9Low77.6Confident88 Ų88105.2 Ų105.262%0.61562%0.623SS**  trans178.6137.2178.345.50000109.7
97D81.1Confident76.9Confident135 Ų135107.4 Ų107.472%0.72262%0.619SS**  trans-111.3134.2157.3-76.9-37.8000107.6V99D97-V99 PolarHBondContact O-N 2.8Å; D97-V99 VanDerWaalsContact O-N 3.12Å
98D83.1Confident76.2Confident141 Ų141111.3 Ų111.375%0.75463%0.629SS**  trans-74.2102.7176.1-71.9-27.9000109F100D98-F100 HydrophobicContact CB-CE2 4.4Å
99V82.6Confident75.3Confident115 Ų115110.4 Ų110.470%0.69762%0.619SS**  trans-98.8110.4175.8-177.40000109.1D97 M101D97-V99 PolarHBondContact O-N 2.8Å; D97-V99 VanDerWaalsContact O-N 3.12Å; V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-M101 PolarHBondContact O-N 2.8Å
100F83.3Confident74.4Confident190 Ų190112.6 Ų112.683%0.83363%0.63SS**  trans-79.1111.7172.6-62.3-82.1000109.4D98D98-F100 HydrophobicContact CB-CE2 4.4Å
101M78.7Confident73.7Confident133 Ų133113 Ų11366%0.65563%0.629SS**  trans-96.2119.1172.3-67.1-171.5-7200109.5V99 F103V99-M101 HydrophobicContact CG1-CG 4.3Å; V99-M101 PolarHBondContact O-N 2.8Å; M101-F103 HydrophobicContact CB-CE2 4.06Å; M101-F103 HydrophobicContact CB-CZ 4.06Å; M101-F103 HydrophobicContact CE-CZ 3.89Å; M101-F103 HydrophobicContact SD-CZ 4.43Å
102T79.9Confident72.9Confident90 Ų90111.3 Ų111.355%0.55262%0.616SS**  trans-85.3109.3167.646.60000108.4I104T102-I104 PolarHBondContact O-N 2.98Å
103F76.9Confident72.1Confident179 Ų179111.2 Ų111.279%0.78561%0.608SS**  trans-81.4105.2175.5-65-79.8000108.9M101M101-F103 HydrophobicContact CB-CE2 4.06Å; M101-F103 HydrophobicContact CB-CZ 4.06Å; M101-F103 HydrophobicContact CE-CZ 3.89Å; M101-F103 HydrophobicContact SD-CZ 4.43Å
104I81.9Confident71.1Confident62 Ų62113.7 Ų113.732%0.31862%0.619SS.*  trans-89.6119.1179.3-68.3168.9000108.7T102 S106 D109 L110T102-I104 PolarHBondContact O-N 2.98Å; I104-S106 WeakPolarHBondContact CG2-O 3.27Å; I104-D109 HydrophobicContact CG1-CB 4.5Å; I104-D109 HydrophobicContact CG2-CB 3.74Å; I104-L110 HydrophobicContact CD1-CD2 3.31Å; I104-L110 HydrophobicContact CD1-CG 3.73Å; I104-L110 HydrophobicContact CG2-CG 4.15Å
105S77.5Confident70Confident113 Ų113113.4 Ų113.479%0.7961%0.609SS**SBendtrans-78.7-20.3178.250.10000113.3D109S105-D109 PolarHBondContact OG-OD2 3.12Å
106S75.1Confident69.1Low49 Ų49115 Ų11534%0.34361%0.607SS.*SBendtrans-145.2138-168.2-1.50000110.5I104 D108 D109I104-S106 WeakPolarHBondContact CG2-O 3.27Å; S106-D108 PolarHBondContact O-N 3.4Å; S106-D109 WeakPolarHBondContact CB-OD2 3.34Å; S106-D109 PolarHBondContact N-OD2 3.45Å; S106-D109 PolarHBondContact O-N 3.37Å; S106-D109 PolarHBondContact OG-OD2 2.82Å
107K66.1Low68.5Low177 Ų177118.9 Ų118.977%0.7762%0.616SS**Hα-helixtrans-57.9-19.4178-174.2161.9-179.61610113.4L110K107-L110 HydrophobicContact CG-CD1 4.25Å
108D62.6Low67.5Low129 Ų129117.1 Ų117.169%0.6961%0.606SS**Hα-helixtrans-74.4-27175.4-62.2-41.4000113.4S106 L110 N111 A112S106-D108 PolarHBondContact O-N 3.4Å; D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.35Å; D108-N111 PolarHBondContact O-N 3.44Å; D108-A112 PolarHBondContact O-N 3.06Å
109D60.6Low66.5Low64 Ų64115 Ų11534%0.34260%0.6SS.*Hα-helixtrans-74.4-21.9178.1-53.7-54.5000112.1I104 S105 S106 N111 A112 Q113I104-D109 HydrophobicContact CG1-CB 4.5Å; I104-D109 HydrophobicContact CG2-CB 3.74Å; S105-D109 PolarHBondContact OG-OD2 3.12Å; S106-D109 WeakPolarHBondContact CB-OD2 3.34Å; S106-D109 PolarHBondContact N-OD2 3.45Å; S106-D109 PolarHBondContact O-N 3.37Å; S106-D109 PolarHBondContact OG-OD2 2.82Å; D109-N111 VanDerWaalsContact C-N 3.27Å; D109-N111 PolarHBondContact O-N 2.73Å; D109-A112 PolarHBondContact O-N 3.13Å; D109-Q113 PolarHBondContact O-N 2.88Å
110L60Low65.4Low92 Ų92115.7 Ų115.748%0.48260%0.598SS.*Hα-helixtrans-60.3-38.9169.6-73.7162.1000111.1I104 K107 D108I104-L110 HydrophobicContact CD1-CD2 3.31Å; I104-L110 HydrophobicContact CD1-CG 3.73Å; I104-L110 HydrophobicContact CG2-CG 4.15Å; K107-L110 HydrophobicContact CG-CD1 4.25Å; D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.35Å
111N57.4Low64.4Low97 Ų97109.6 Ų109.652%0.51957%0.573SS.*Hα-helixtrans-81.3-16.9-179.2-92.8-38000113.4D108 D109 Q115D108-N111 PolarHBondContact O-N 3.44Å; D109-N111 VanDerWaalsContact C-N 3.27Å; D109-N111 PolarHBondContact O-N 2.73Å; N111-Q115 WeakPolarHBondContact O-CB 3.5Å; N111-Q115 VanDerWaalsContact O-CG 3.27Å; N111-Q115 WeakPolarHBondContact O-CG 3.1Å; N111-Q115 PolarHBondContact O-NE2 2.72Å
112A60Low63.5Low51 Ų51112.3 Ų112.342%0.42158%0.582SS.*Hα-helixtrans-80.9-38.9-17900000111.9D108 D109 Q115D108-A112 PolarHBondContact O-N 3.06Å; D109-A112 PolarHBondContact O-N 3.13Å; A112-Q115 PolarHBondContact O-N 2.9Å
113Q54.4Low62.5Low105 Ų105112.3 Ų112.349%0.49158%0.578SS.*Hα-helixtrans-68.7-37177.5-76.7-172.7-43.900112.7D109 Q115D109-Q113 PolarHBondContact O-N 2.88Å; Q113-Q115 VanDerWaalsContact C-N 3.28Å; Q113-Q115 PolarHBondContact O-N 3.39Å
114D55.7Low61.4Low121 Ų121111.9 Ų111.965%0.64758%0.576SS**Hα-helixtrans-71.9-20.5176.9-73.8-19.7000113.1
115Q53.1Low60.2Low112 Ų112112.5 Ų112.552%0.52360%0.597SS.*Hα-helixtrans-87.5-22.7-176-86179.262.500115.2N111 A112 Q113N111-Q115 WeakPolarHBondContact O-CB 3.5Å; N111-Q115 VanDerWaalsContact O-CG 3.27Å; N111-Q115 WeakPolarHBondContact O-CG 3.1Å; N111-Q115 PolarHBondContact O-NE2 2.72Å; A112-Q115 PolarHBondContact O-N 2.9Å; Q113-Q115 VanDerWaalsContact C-N 3.28Å; Q113-Q115 PolarHBondContact O-N 3.39Å
116E53.1Low59.3Low172 Ų172113.6 Ų113.680%0.80459%0.59SS**Hα-helixtrans-82-21.1-177.9-75.1-169.4156.400113.4
117E55.4Low58.4Low169 Ų169120.4 Ų120.479%0.7961%0.613SS**SBendtrans-93.3-6.4-179-71.5-79.4140.400113.4P119E117-P119 WeakPolarHBondContact O-CD 3.3Å
118D61.1Low58.3Low98 Ų98117.2 Ų117.252%0.52460%0.604SS.*  trans-83.3108.1-176.7-112.7-24.4000111.6M120 N121D118-M120 PolarHBondContact O-N 3.35Å; D118-N121 PolarHBondContact O-N 3.1Å; D118-N121 VanDerWaalsContact O-N 3.08Å
119P60.8Low58.3Low97 Ų97114.6 Ų114.663%0.6359%0.592SS**THydrogen-bonded Turntrans-62.5-14.4-176.426.6-35.3000113.1E117E117-P119 WeakPolarHBondContact O-CD 3.3Å
120M60Low58.8Low130 Ų130115.4 Ų115.464%0.6460%0.603SS**THydrogen-bonded Turntrans-75.2-21.5179.4-156171.6-75.600113.2D118D118-M120 PolarHBondContact O-N 3.35Å
121N61.6Low59.3Low61 Ų61111.1 Ų111.133%0.32658%0.581SS.*THydrogen-bonded Turntrans-76.4-29.2175.6-101.7-13.9000112.7D118 L123 K124D118-N121 PolarHBondContact O-N 3.1Å; D118-N121 VanDerWaalsContact O-N 3.08Å; N121-L123 PolarHBondContact O-N 3.41Å; N121-K124 PolarHBondContact O-N 3.07Å; N121-K124 WeakPolarHBondContact OD1-CD 3.27Å; N121-K124 VanDerWaalsContact OD1-CE 3.27Å; N121-K124 WeakPolarHBondContact OD1-CE 3.48Å; N121-K124 PolarHBondContact OD1-NZ 3.04Å
122K59.9Low60.2Low191 Ų191117.7 Ų117.783%0.8360%0.598SS**THydrogen-bonded Turntrans-66.9-17.6173.6-81.7173.5179.5163.20113.5
123L59Low60.8Low90 Ų90119.3 Ų119.347%0.47160%0.599SS.*THydrogen-bonded Turntrans-90.6-8.3178.2-81.1138.9000113.8N121 G125 Q126 I128N121-L123 PolarHBondContact O-N 3.41Å; L123-G125 PolarHBondContact O-N 3.19Å; L123-Q126 PolarHBondContact O-N 3.4Å; L123-I128 HydrophobicContact CD2-CD1 3.73Å
124K54.1Low61.7Low170 Ų170116.5 Ų116.574%0.73959%0.59SS**THydrogen-bonded Turntrans-7280.2174-73.5179.8-178.8163.90110.1N121N121-K124 PolarHBondContact O-N 3.07Å; N121-K124 WeakPolarHBondContact OD1-CD 3.27Å; N121-K124 VanDerWaalsContact OD1-CE 3.27Å; N121-K124 WeakPolarHBondContact OD1-CE 3.48Å; N121-K124 PolarHBondContact OD1-NZ 3.04Å
125G56.1Low62.5Low75 Ų75119.4 Ų119.477%0.77360%0.597SS**THydrogen-bonded Turntrans163.5-17.7179.400000113.4L123L123-G125 PolarHBondContact O-N 3.19Å
126Q59.2Low63.4Low135 Ų135115.2 Ų115.263%0.63158%0.584SS**SBendtrans-100.9124.2175.6-67.3-168.6-22.900110.9L123 I128L123-Q126 PolarHBondContact O-N 3.4Å; Q126-I128 HydrophobicContact CB-CD1 3.6Å; Q126-I128 HydrophobicContact CB-CG1 4.03Å; Q126-I128 PolarHBondContact O-N 3.32Å
127K56.9Low64.3Low193 Ų193112.9 Ų112.984%0.83958%0.577SS**  trans-72.268.4-177.9-59.9179.5-177.6-178.90111.5
128I62.3Low65.1Low110 Ų110107.1 Ų107.156%0.56455%0.55SS*.  trans-98.1-19.5-171.6-71163.1000112.7L123 Q126L123-I128 HydrophobicContact CD2-CD1 3.73Å; Q126-I128 HydrophobicContact CB-CD1 3.6Å; Q126-I128 HydrophobicContact CB-CG1 4.03Å; Q126-I128 PolarHBondContact O-N 3.32Å
129V63.2Low65.6Low74 Ų74109.2 Ų109.245%0.44855%0.55SS.*  trans-128.5114.7-174.8-175.50000111.3
130S72.1Confident65.8Low81 Ų81108 Ų10857%0.56654%0.541SS*.  trans-105.8142.3169.758.40000110.7R132S130-R132 PolarHBondContact O-N 3.21Å
131C70.3Confident66.2Low2 Ų2106.7 Ų106.71%0.01454%0.54CS..  trans-66.1122.2179.5-173.30000110.1I133 K135 G136 H138C131-I133 PolarHBondContact O-N 3.44Å; C131-K135 WeakPolarHBondContact O-CA 3.33Å; C131-K135 PolarHBondContact O-N 3.27Å; C131-G136 VanDerWaalsContact CB-O 3.28Å; C131-G136 WeakPolarHBondContact CB-O 3.27Å; C131-G136 PolarHBondContact N-O 2.74Å; C131-H138 VanDerWaalsContact CB-O 3.24Å; C131-H138 WeakPolarHBondContact CB-O 3.43Å
132R75.9Confident66.4Low235 Ų235112.8 Ų112.889%0.88756%0.559SS**THydrogen-bonded Turntrans-58.4-24.6177-172.8172.8178.6168.6-0.6113.3S130S130-R132 PolarHBondContact O-N 3.21Å
133I72.3Confident67.1Low84 Ų84104.1 Ų104.143%0.43152%0.522SS..THydrogen-bonded Turntrans-86.1-48.1-171.1-57.4171000111.5C131 T140 L149C131-I133 PolarHBondContact O-N 3.44Å; I133-T140 HydrophobicContact CD1-CG2 4.12Å; I133-T140 HydrophobicContact CG1-CG2 4.42Å; I133-L149 HydrophobicContact CG2-CD1 3.65Å
134C72.8Confident67.9Low47 Ų47104.6 Ų104.632%0.31853%0.531SS..THydrogen-bonded Turntrans-1224.8-176.464.20000114.2G136 H138 Y145C134-G136 PolarHBondContact O-N 3.32Å; C134-H138 PolarHBondContact SG-CE1 2.8Å; C134-H138 PolarHBondContact SG-NE2 3.45Å; C134-Y145 HydrophobicContact CB-CD2 4.4Å
135K74.4Confident68.7Low182 Ų182103.3 Ų103.379%0.79152%0.522SS*.  trans56.416.1-178-56.1-178.5-179.3-179.90114.8C131C131-K135 WeakPolarHBondContact O-CA 3.33Å; C131-K135 PolarHBondContact O-N 3.27Å
136G71.4Confident69.3Low23 Ų23104.5 Ų104.524%0.23751%0.506CS..SBendtrans-85.5164.9172.400000112.8C131 C134 H138C131-G136 VanDerWaalsContact CB-O 3.28Å; C131-G136 WeakPolarHBondContact CB-O 3.27Å; C131-G136 PolarHBondContact N-O 2.74Å; C134-G136 PolarHBondContact O-N 3.32Å; G136-H138 VanDerWaalsContact C-N 3.31Å; G136-H138 PolarHBondContact O-N 3.41Å
137D71.9Confident69.7Low123 Ų123104.6 Ų104.666%0.65851%0.511SS*.SBendtrans-8267.1-176.3-62.6-29.1000112.1
138H71.6Confident70.1Confident48 Ų48100.1 Ų100.122%0.22250%0.5CS..SBendtrans-154.3158.5174.153.9-92.3000112.2C131 C134 G136 C143C131-H138 VanDerWaalsContact CB-O 3.24Å; C131-H138 WeakPolarHBondContact CB-O 3.43Å; C134-H138 PolarHBondContact SG-CE1 2.8Å; C134-H138 PolarHBondContact SG-NE2 3.45Å; G136-H138 VanDerWaalsContact C-N 3.31Å; G136-H138 PolarHBondContact O-N 3.41Å; H138-C143 WeakPolarHBondContact CD2-CA 3.44Å; H138-C143 VanDerWaalsContact NE2-CA 3.34Å; H138-C143 WeakPolarHBondContact NE2-CA 3.39Å; H138-C143 WeakPolarHBondContact NE2-CB 3.36Å; H138-C143 PolarHBondContact NE2-SG 2.98Å
139W71.2Confident70Confident143 Ų14399.2 Ų99.254%0.54250%0.496SS..  trans-69.6149.1172.2-80-56.4000111.9T141 R142 C143W139-T141 PolarHBondContact O-N 2.62Å; W139-R142 CarbonylContact O-C 3.52Å; W139-R142 PolarHBondContact O-N 3.37Å; W139-C143 PolarHBondContact O-N 2.94Å
140T66.6Low69.8Low70 Ų7097.7 Ų97.743%0.42950%0.495SS..G310 helixtrans-54.6-28.7-179.749.30000113.4I133 R142I133-T140 HydrophobicContact CD1-CG2 4.12Å; I133-T140 HydrophobicContact CG1-CG2 4.42Å; T140-R142 VanDerWaalsContact C-N 3.29Å; T140-R142 PolarHBondContact O-N 3.45Å
141T67.6Low69.1Low103 Ų10399 Ų9963%0.63250%0.502SS*.G310 helixtrans-72.2-18.9176.451.10000114.2W139W139-T141 PolarHBondContact O-N 2.62Å
142R66.6Low68.3Low190 Ų190106 Ų10672%0.71754%0.536SS*.G310 helixtrans-11518.7-178.9-60.3-175.3-175.6-175.70.9112.4W139 T140 P144W139-R142 CarbonylContact O-C 3.52Å; W139-R142 PolarHBondContact O-N 3.37Å; T140-R142 VanDerWaalsContact C-N 3.29Å; T140-R142 PolarHBondContact O-N 3.45Å; R142-P144 WeakPolarHBondContact O-CD 3.44Å
143C73.9Confident67.5Low9 Ų9100.7 Ų100.76%0.06152%0.521CS..  trans-71.8124.1-179.1-173.20000111.4H138 W139 Y145 K146H138-C143 WeakPolarHBondContact CD2-CA 3.44Å; H138-C143 VanDerWaalsContact NE2-CA 3.34Å; H138-C143 WeakPolarHBondContact NE2-CA 3.39Å; H138-C143 WeakPolarHBondContact NE2-CB 3.36Å; H138-C143 PolarHBondContact NE2-SG 2.98Å; W139-C143 PolarHBondContact O-N 2.94Å; C143-Y145 PolarHBondContact O-N 2.84Å; C143-Y145 VanDerWaalsContact O-N 3.11Å; C143-K146 HydrophobicContact CB-CB 4.25Å; C143-K146 WeakPolarHBondContact O-CB 3.06Å; C143-K146 PolarHBondContact O-N 3.45Å
144P76.3Confident66.8Low99 Ų99104.1 Ų104.164%0.64353%0.533SS*.THydrogen-bonded Turntrans-60-22.7178.4-2332.7000113.9R142R142-P144 WeakPolarHBondContact O-CD 3.44Å
145Y70.6Confident66Low143 Ų143108 Ų10856%0.56155%0.546SS*.THydrogen-bonded Turntrans-104.214.8-178.9-57.9-69000113C134 C143 D147 T148C134-Y145 HydrophobicContact CB-CD2 4.4Å; C143-Y145 PolarHBondContact O-N 2.84Å; C143-Y145 VanDerWaalsContact O-N 3.11Å; Y145-D147 PolarHBondContact O-N 3.33Å; Y145-T148 WeakPolarHBondContact CA-OG1 2.91Å; Y145-T148 WeakPolarHBondContact CB-OG1 3.34Å; Y145-T148 PolarHBondContact O-N 2.83Å; Y145-T148 PolarHBondContact O-OG1 3.37Å
146K67.9Low65.1Low100 Ų100104 Ų10444%0.43553%0.533SS..SBendtrans-56.3-39.4-178.6-177.1-174.1171.7-150.60112.2C143C143-K146 HydrophobicContact CB-CB 4.25Å; C143-K146 WeakPolarHBondContact O-CB 3.06Å; C143-K146 PolarHBondContact O-N 3.45Å
147D67.1Low64.6Low138 Ų138105.5 Ų105.574%0.73854%0.544SS*.G310 helixtrans-89.5-12.2-174.1-56.7-38.9000113.5Y145 L149Y145-D147 PolarHBondContact O-N 3.33Å; D147-L149 VanDerWaalsContact C-N 3.25Å; D147-L149 PolarHBondContact O-N 3.19Å
148T66.6Low64Low99 Ų99107 Ų10761%0.60755%0.546SS*.G310 helixtrans-79.71-179.241.70000114.8Y145Y145-T148 WeakPolarHBondContact CA-OG1 2.91Å; Y145-T148 WeakPolarHBondContact CB-OG1 3.34Å; Y145-T148 PolarHBondContact O-N 2.83Å; Y145-T148 PolarHBondContact O-OG1 3.37Å
149L59.8Low63Low91 Ų91112.3 Ų112.348%0.47657%0.571SS.*G310 helixtrans-124.235.2-173.4-62172.5000112.9I133 D147 P151 M152I133-L149 HydrophobicContact CG2-CD1 3.65Å; D147-L149 VanDerWaalsContact C-N 3.25Å; D147-L149 PolarHBondContact O-N 3.19Å; L149-P151 VanDerWaalsContact C-N 3.27Å; L149-P151 WeakPolarHBondContact O-CD 3.47Å; L149-M152 PolarHBondContact O-N 3.08Å
150G59.5Low62Low42 Ų42111 Ų11143%0.43357%0.574SS.*Hα-helixtrans-45.2-32177.700000117.4M152 Q153G150-M152 VanDerWaalsContact C-N 3.32Å; G150-M152 PolarHBondContact O-N 3.45Å; G150-Q153 PolarHBondContact O-N 2.97Å
151P56.1Low61.1Low109 Ų109110.9 Ų110.971%0.70859%0.587SS**Hα-helixtrans-63.9-29-178.7-2333.4000115L149L149-P151 VanDerWaalsContact C-N 3.27Å; L149-P151 WeakPolarHBondContact O-CD 3.47Å
152M55Low60Low147 Ų147112.9 Ų112.972%0.72459%0.593SS**Hα-helixtrans-79.7-24.1179.4-87.4-171.1-178.900113.4L149 G150 L156L149-M152 PolarHBondContact O-N 3.08Å; G150-M152 VanDerWaalsContact C-N 3.32Å; G150-M152 PolarHBondContact O-N 3.45Å; M152-L156 PolarHBondContact O-N 3.42Å
153Q57.8Low58.5Low124 Ų124109.3 Ų109.358%0.57960%0.598SS**Hα-helixtrans-79-28.5-175.2-149.8158.76.100111.8G150 A157G150-Q153 PolarHBondContact O-N 2.97Å; Q153-A157 WeakPolarHBondContact O-CB 3.46Å; Q153-A157 PolarHBondContact O-N 3.41Å
154K57.4Low56.8Low156 Ų156115.1 Ų115.168%0.67863%0.633SS**Hα-helixtrans-72.2-39.8173.8-159.8174.7-176.1-179.50111.8A157 E158K154-A157 PolarHBondContact O-N 3.41Å; K154-E158 PolarHBondContact O-N 3.22Å; K154-E158 VanDerWaalsContact O-N 3.09Å
155E57.3Low54.7Low128 Ų128114 Ų11460%0.59864%0.64SS**Hα-helixtrans-68.4-37.5178.6-152.1173.6-164.400111.9Q159E155-Q159 PolarHBondContact O-N 2.93Å
156L55.3Low52.9Low98 Ų98114.6 Ų114.651%0.51365%0.652SS.*Hα-helixtrans-71.9-31.8174.6-169.865.4000112.7M152 L160M152-L156 PolarHBondContact O-N 3.42Å; L156-L160 HydrophobicContact CD1-CD1 4.24Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 WeakPolarHBondContact O-CB 3.14Å; L156-L160 WeakPolarHBondContact O-CG 3.29Å; L156-L160 PolarHBondContact O-N 3.27Å
157A60Low51.2Low56 Ų56119.6 Ų119.646%0.46367%0.674SS.*Hα-helixtrans-70.4-37.1175.800000112.3Q153 K154 L160 G161Q153-A157 WeakPolarHBondContact O-CB 3.46Å; Q153-A157 PolarHBondContact O-N 3.41Å; K154-A157 PolarHBondContact O-N 3.41Å; A157-L160 PolarHBondContact O-N 3.4Å; A157-G161 PolarHBondContact O-N 3.2Å
158E60.3Low49.5Very low153 Ų153122.1 Ų122.172%0.71568%0.681SS**Hα-helixtrans-66.7-39.1173-87.9179.8153.500112.5K154 L160K154-E158 PolarHBondContact O-N 3.22Å; K154-E158 VanDerWaalsContact O-N 3.09Å; E158-L160 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.18Å
159Q50.4Low47.6Very low160 Ų160127.1 Ų127.175%0.74870%0.695SS**Hα-helixtrans-68.6-24.4177-81.8-173.7-20.600114.2E155E155-Q159 PolarHBondContact O-N 2.93Å
160L50Low46Very low115 Ų115128 Ų12860%0.60271%0.709SS**THydrogen-bonded Turntrans-990.1-176.7-67.5173.8000114L156 A157 E158 L162L156-L160 HydrophobicContact CD1-CD1 4.24Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 WeakPolarHBondContact O-CB 3.14Å; L156-L160 WeakPolarHBondContact O-CG 3.29Å; L156-L160 PolarHBondContact O-N 3.27Å; A157-L160 PolarHBondContact O-N 3.4Å; E158-L160 VanDerWaalsContact C-N 3.28Å; E158-L160 PolarHBondContact O-N 3.18Å; L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 WeakPolarHBondContact O-CD1 3.41Å; L160-L162 PolarHBondContact O-N 3.35Å; L160-L162 VanDerWaalsContact O-N 3.17Å
161G47.7Very low45Very low68 Ų68132 Ų13270%0.70173%0.727SS**THydrogen-bonded Turntrans61.127.1167.200000115.9A157 S163A157-G161 PolarHBondContact O-N 3.2Å; G161-S163 PolarHBondContact O-N 3.47Å
162L44.1Very low43.5Very low145 Ų145130.3 Ų130.376%0.75973%0.729SS**  trans-86111176.1-96.975.4000110.8L160 T164L160-L162 VanDerWaalsContact C-N 3.28Å; L160-L162 WeakPolarHBondContact O-CD1 3.41Å; L160-L162 PolarHBondContact O-N 3.35Å; L160-L162 VanDerWaalsContact O-N 3.17Å; L162-T164 PolarHBondContact O-N 2.95Å
163S34.7Very low42.3Very low116 Ų116129 Ų12981%0.81173%0.734SS**  trans-67.6116.4173.155.90000111.5G161 G165G161-S163 PolarHBondContact O-N 3.47Å; S163-G165 PolarHBondContact O-N 3.04Å
164T38.1Very low40.9Very low130 Ų130128 Ų12880%0.79875%0.748SS**  trans-77.2101.9163.548.20000108.8L162 D166L162-T164 PolarHBondContact O-N 2.95Å; T164-D166 PolarHBondContact O-N 3.49Å
165G33.5Very low39.7Very low76 Ų76129.6 Ų129.678%0.78476%0.757SS**  trans-76.6113.5169.100000110.5S163S163-G165 PolarHBondContact O-N 3.04Å
166D33.1Very low38.8Very low155 Ų155129.5 Ų129.583%0.82977%0.768SS**  trans-54.5138.6171.6-69.9-82.8000112.6T164T164-D166 PolarHBondContact O-N 3.49Å
167K31.3Very low37.8Very low206 Ų206133.4 Ų133.490%0.89678%0.784SS**  trans-126.5105.5159.3-150.5175.8-173.2177.80108.7
168E30.3Very low36.7Very low190 Ų190136.8 Ų136.889%0.88880%0.801SS**  trans-56.9134.2175.9-59.9-178.6130.200111.7
169K28.1Very low35.5Very low205 Ų205136.3 Ų136.389%0.89181%0.808SS**  trans-138.9123.5153.6-169175.5-177-178.10107.9
170S26.3Very low35.2Very low109 Ų109137.2 Ų137.276%0.76281%0.812SS**  trans-125.6166.7173.8-130.90000108.9
171P38.6Very low34.7Very low126 Ų126137.8 Ų137.882%0.81882%0.823SS**  -127.5171.6-9533.3-15.6000112.8
172G25.2Very low33.9Very low73 Ų73139.4 Ų139.475%0.75383%0.829SS**  trans161.392.2161.800000114.8
173S28.7Very low33.5Very low119 Ų119141.7 Ų141.783%0.83284%0.836SS**  174.5115127.355.50000109.1
174A28.7Very low33.4Very low104 Ų104140.2 Ų140.286%0.8683%0.831SS**  trans-68.8134.7176.100000111.4
175E31.8Very low33.4Very low190 Ų190143.6 Ų143.689%0.88883%0.834SS**  trans-113.7135.2154.2-84.9-176.4128.900108.1
176P38.3Very low33.7Very low125 Ų125147 Ų14781%0.81284%0.84SS**PPolyproline II helixtrans-88.6159.5170.634.5-30.1000112.5
177E35.4Very low34.2Very low181 Ų181143.2 Ų143.285%0.84684%0.838SS**PPolyproline II helixtrans-55.5159.2-169.7-63.2-158.3141.900118.3
178P37.1Very low34.9Very low127 Ų127143.2 Ų143.283%0.82584%0.838SS**PPolyproline II helixtrans-85.8127.4176.933.6-31.5000112.8
179V34.4Very low36.4Very low142 Ų142143.5 Ų143.586%0.86183%0.832SS**PPolyproline II helixtrans-88.8130.6167.7-176.80000109.6
180Q43.5Very low37.8Very low180 Ų180138.6 Ų138.684%0.84182%0.819SS**PPolyproline II helixtrans-59.2157.1175.8-55.5168.22300112.5
181P39.6Very low39.1Very low127 Ų127136.8 Ų136.883%0.82581%0.805SS**  trans-118.8130.5148.329.5-15.6000112.5
182A32.1Very low39.9Very low101 Ų101135.9 Ų135.984%0.83580%0.799SS**  trans-68.3149.6174.200000112.8
183Q34.6Very low41.5Very low193 Ų193137.7 Ų137.790%0.90280%0.8SS**  trans-74.5142.3168.2-64.2172.3-11.100110.7
184A33.7Very low43Very low85 Ų85138.6 Ų138.670%0.70280%0.795SS**  166.8149.411100000114.5
185K36.5Very low45.1Very low201 Ų201143.8 Ų143.887%0.87479%0.792SS**  trans108117.9147.5-53.7-167.8-175.5175.50119
186T40.1Very low45.9Very low147 Ų147143 Ų14390%0.90279%0.794SS**  trans-41.6126.8167.753.50000115.5
187G43.5Very low46.6Very low76 Ų76140.2 Ų140.278%0.78479%0.789SS**  trans-131.8138.5163.600000110.1
188K46.1Very low47.2Very low207 Ų207135 Ų13590%0.978%0.784SS**  trans-72.3137.4-175.1-65.2156.4-179.2-172.80110.3
189Y61.4Low48Very low196 Ų196135.1 Ų135.177%0.76978%0.782SS**  trans-67.5127.6-177.3177.9-100.5000112.3
190V58.1Low48.8Very low101 Ų101139.5 Ų139.561%0.61278%0.783SS**  trans-105.5125.5174.6179.80000108.8L194V190-L194 HydrophobicContact CG1-CB 4.14Å
191P53Low49Very low72 Ų72143 Ų14347%0.46879%0.789SS.*  trans-67.1150.8-174.824.4-32.8000113.1S193 L194P191-S193 PolarHBondContact O-N 3.31Å; P191-L194 PolarHBondContact O-N 3.17Å
192P56.9Low49.5Very low107 Ų107140.2 Ų140.270%0.69578%0.782SS**G310 helixtrans-55.6-15.6-171.1-2935.7000117.2
193S57.9Low50.2Low111 Ų111144 Ų14478%0.77678%0.783SS**G310 helixtrans-79.3-14-178.8-168.30000114.7P191P191-S193 PolarHBondContact O-N 3.31Å
194L61.3Low50.9Low138 Ų138139.7 Ų139.772%0.72377%0.774SS**G310 helixtrans-109.713.4-178.5-96.180.5000113.4V190 P191 D196V190-L194 HydrophobicContact CG1-CB 4.14Å; P191-L194 PolarHBondContact O-N 3.17Å; L194-D196 PolarHBondContact O-N 2.82Å
195R72.2Confident51.5Low213 Ų213143.7 Ų143.780%0.80478%0.78SS**SBendtrans-83.8114173.8-164.3169.4-174.4176.90.7109.5G197 G198R195-G197 PolarHBondContact O-N 3.19Å; R195-G198 PolarHBondContact O-N 3.39Å
196D47.6Very low52.5Low172 Ų172140.1 Ų140.192%0.9277%0.767SS**THydrogen-bonded Turntrans-51.9118.4171.1-120.3-60.7000109.8L194L194-D196 PolarHBondContact O-N 2.82Å
197G53.7Low52.8Low68 Ų68138.4 Ų138.470%0.70176%0.758SS**THydrogen-bonded Turntrans122.4-2.9-173.100000115.8R195 T199R195-G197 PolarHBondContact O-N 3.19Å; G197-T199 VanDerWaalsContact C-N 3.26Å; G197-T199 PolarHBondContact O-N 3.29Å
198G48.5Very low53Low72 Ų72139.9 Ų139.974%0.74275%0.748SS**  trans-75.154.1178.500000115.9R195R195-G198 PolarHBondContact O-N 3.39Å
199T54Low53.4Low128 Ų128138.2 Ų138.279%0.78574%0.736SS**  trans-139.271.5167.637.80000111.4G197G197-T199 VanDerWaalsContact C-N 3.26Å; G197-T199 PolarHBondContact O-N 3.29Å
200R50.7Low53Low235 Ų235139.9 Ų139.989%0.88774%0.741SS**  trans-133.169.4148-64-165-166.4-160.86.1109.5
201R46.9Very low52.7Low254 Ų254137.8 Ų137.896%0.95873%0.734SS**  trans-78.8117.3159.7179175.5-177.5152-0.1106.9
202G51.4Low52.9Low67 Ų67137 Ų13769%0.69173%0.726SS**  trans9570158.600000116.8
203E45.2Very low53.2Low182 Ų182135.5 Ų135.585%0.8571%0.712SS**  trans-107.974.4145.6-109.7166.8118.800108.3M205E203-M205 VanDerWaalsContact C-N 3.34Å; E203-M205 PolarHBondContact O-N 3.39Å
204S51.2Low53.9Low102 Ų102135.5 Ų135.571%0.71370%0.704SS**  trans-65.999148.450.80000107.6
205M44.8Very low55.1Low169 Ų169129.3 Ų129.383%0.83367%0.672SS**  trans-170.5114.9140.3-109.4-179.4-89.200110E203 P207E203-M205 VanDerWaalsContact C-N 3.34Å; E203-M205 PolarHBondContact O-N 3.39Å; M205-P207 WeakPolarHBondContact O-CD 3.4Å
206Q57.1Low56Low126 Ų126120 Ų12059%0.58964%0.639SS**  trans-54.7127.9154.7-66.6161.8-1.800108.9
207P46.4Very low58.1Low111 Ų111111.8 Ų111.872%0.72160%0.595SS**  trans-124.384157.331.5-10.9000106.8M205M205-P207 WeakPolarHBondContact O-CD 3.4Å
208N49.2Very low60.1Low107 Ų107112.8 Ų112.857%0.57258%0.578SS**  trans174.4-7.6152.4-101.313.4000116.5R210 A211 D212N208-R210 PolarHBondContact O-N 3.37Å; N208-A211 PolarHBondContact O-N 3.31Å; N208-D212 PolarHBondContact O-N 3.48Å
209R54.3Low62.2Low171 Ų171109.3 Ų109.365%0.64554%0.542SS*.THydrogen-bonded Turntrans-58.1-15.4-176.7-68-167.9-177.2178.93.4115.3
210R51.7Low64.1Low232 Ų232104.5 Ų104.588%0.87551%0.513SS*.THydrogen-bonded Turntrans-94.5-17.6175.1-63.5-156.1-179.8-161.80.7114.7N208N208-R210 PolarHBondContact O-N 3.37Å
211A52.1Low66.1Low57 Ų5797.2 Ų97.247%0.47149%0.491SS..THydrogen-bonded Turntrans-79.1-32.917600000111.2N208 D213 N214N208-A211 PolarHBondContact O-N 3.31Å; A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.41Å; A211-N214 PolarHBondContact O-N 3.39Å
212D57.4Low68.3Low56 Ų5685.5 Ų85.530%0.29945%0.448SS..G310 helixtrans-69-22.6-177.1-60.7-39000113.4N208 N214 T216 S262N208-D212 PolarHBondContact O-N 3.48Å; D212-N214 PolarHBondContact O-N 2.87Å; D212-T216 PolarHBondContact O-OG1 3.44Å; D212-S262 PolarHBondContact O-OG 2.92Å; D212-S262 VanDerWaalsContact O-OG 3.05Å
213D63.8Low70.1Confident74 Ų7483 Ų8340%0.39642%0.42SS..G310 helixtrans-71.8-28.2-179.3-81.5-10.5000112.8A211 A215 T216A211-D213 VanDerWaalsContact C-N 3.28Å; A211-D213 PolarHBondContact O-N 3.41Å; D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 2.8Å; D213-T216 PolarHBondContact O-N 2.97Å
214N71.6Confident72.2Confident112 Ų11279.9 Ų79.960%0.59941%0.405SS*.G310 helixtrans-73.7-14.3-177.2-88.93.8000114.2A211 D212 R266A211-N214 PolarHBondContact O-N 3.39Å; D212-N214 PolarHBondContact O-N 2.87Å; N214-R266 WeakPolarHBondContact O-CD 3.48Å
215A86.9Confident73.9Confident8 Ų881 Ų817%0.06640%0.403CS..G310 helixtrans-119.623.8179.700000112.3D213 F263 R266D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 2.8Å; A215-F263 HydrophobicContact CB-CB 4.49Å; A215-F263 VanDerWaalsContact CB-O 3.29Å; A215-F263 WeakPolarHBondContact CB-O 3.09Å; A215-F263 PolarHBondContact O-N 3.32Å; A215-R266 HydrophobicContact CB-CB 4.16Å
216T90.6Very high76Confident17 Ų1773.1 Ų73.110%0.10437%0.365CS..EExtended strand (participates in β ladder)trans-94.9129.5-179.8-59.20000111.8D212 D213 F260 I261 S262 A291D212-T216 PolarHBondContact O-OG1 3.44Å; D213-T216 PolarHBondContact O-N 2.97Å; T216-F260 HydrophobicContact CG2-CB 4.3Å; T216-F260 HydrophobicContact CG2-CD1 4.41Å; T216-I261 CarbonylContact C-O 3.54Å; T216-I261 WeakPolarHBondContact CA-O 3.49Å; T216-S262 WeakPolarHBondContact OG1-CB 3.41Å; T216-S262 PolarHBondContact OG1-OG 3.49Å; T216-A291 HydrophobicContact CG2-CB 3.66Å; T216-A291 WeakPolarHBondContact O-CB 3.21Å; T216-A291 PolarHBondContact O-N 3.45Å
217I93.3Very high77.6Confident0 Ų075.2 Ų75.20%037%0.367CS..EExtended strand (participates in β ladder)trans-106.1147.7173.265.3165.6000110.1V219 F235 F260 I261 F263 A269 A272 I273 V288 E289 W290I217-V219 HydrophobicContact CD1-CG2 4.16Å; I217-F235 HydrophobicContact CD1-CD1 4.06Å; I217-F235 HydrophobicContact CD1-CE1 3.57Å; I217-F235 HydrophobicContact CD1-CZ 4.05Å; I217-F260 WeakPolarHBondContact O-CA 3.23Å; I217-I261 HydrophobicContact CD1-CB 4.21Å; I217-I261 HydrophobicContact CG1-CB 3.77Å; I217-I261 WeakPolarHBondContact CG1-O 3.5Å; I217-I261 PolarHBondContact N-O 3.02Å; I217-I261 PolarHBondContact O-N 2.8Å; I217-F263 HydrophobicContact CD1-CD2 4.49Å; I217-F263 HydrophobicContact CD1-CE2 3.64Å; I217-F263 HydrophobicContact CD1-CZ 4.49Å; I217-F263 HydrophobicContact CG1-CD2 4.42Å; I217-F263 HydrophobicContact CG1-CE2 3.99Å; I217-A269 HydrophobicContact CG2-CB 3.7Å; I217-A272 HydrophobicContact CD1-CB 4.41Å; I217-I273 HydrophobicContact CG2-CD1 3.87Å; I217-I273 HydrophobicContact CG2-CG1 3.95Å; I217-V288 HydrophobicContact CB-CG1 4.19Å; I217-V288 HydrophobicContact CD1-CG1 3.74Å; I217-V288 HydrophobicContact CG1-CG1 4.45Å; I217-E289 CarbonylContact C-O 3.58Å; I217-E289 WeakPolarHBondContact CA-O 3.47Å; I217-W290 HydrophobicContact CG2-CE3 4.41Å; I217-W290 HydrophobicContact CG2-CZ3 4.38Å
218R94.1Very high79.7Confident88 Ų8874 Ų7433%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-106.6120.1170.7-173.7-179.373.4153.61.9108.6T220 A259 F260 E289 A291R218-T220 HydrophobicContact CG-CG2 4.14Å; R218-A259 WeakPolarHBondContact CA-O 3.24Å; R218-F260 HydrophobicContact CB-CD1 4.11Å; R218-F260 HydrophobicContact CB-CE1 3.93Å; R218-F260 HydrophobicContact CG-CD1 4.18Å; R218-F260 HydrophobicContact CG-CE1 3.74Å; R218-F260 HydrophobicContact CG-CZ 4.07Å; R218-E289 IonicContact CZ-OE2 2.74Å; R218-E289 PolarHBondContact N-O 2.84Å; R218-E289 IonicContact NH2-OE2 3.38Å; R218-E289 PolarHBondContact NH2-OE2 3.47Å; R218-E289 PolarHBondContact O-N 2.87Å; R218-A291 HydrophobicContact CB-CB 4.33Å
219V93.9Very high81.8Confident0 Ų072.6 Ų72.60%035%0.347CS..EExtended strand (participates in β ladder)trans-98.8131.4172.8-171.70000108.1I217 L222 F235 F258 A259 I261 V288I217-V219 HydrophobicContact CD1-CG2 4.16Å; V219-L222 HydrophobicContact CB-CD1 4.3Å; V219-L222 HydrophobicContact CG1-CD1 4.12Å; V219-L222 HydrophobicContact CG1-CD2 3.76Å; V219-L222 HydrophobicContact CG1-CG 3.91Å; V219-F235 HydrophobicContact CG2-CE2 3.91Å; V219-F235 HydrophobicContact CG2-CZ 3.6Å; V219-F258 CarbonylContact O-C 3.59Å; V219-F258 VanDerWaalsContact O-CA 3.24Å; V219-F258 WeakPolarHBondContact O-CA 3.35Å; V219-A259 PolarHBondContact N-O 3.25Å; V219-A259 PolarHBondContact O-N 2.93Å; V219-I261 HydrophobicContact CG2-CD1 3.99Å; V219-V288 HydrophobicContact CG1-CG2 4.32Å; V219-V288 HydrophobicContact CG2-CG1 4.29Å; V219-V288 HydrophobicContact CG2-CG2 4.37Å
220T93.6Very high83.6Confident27 Ų2766.5 Ų66.517%0.16633%0.327CS..EExtended strand (participates in β ladder)trans-126.7159.9-179.756.70000110.6R218 N287R218-T220 HydrophobicContact CG-CG2 4.14Å; T220-N287 PolarHBondContact N-O 3.33Å; T220-N287 PolarHBondContact O-N 3.18Å; T220-N287 VanDerWaalsContact O-N 3.1Å; T220-N287 WeakPolarHBondContact OG1-CB 3.49Å; T220-N287 PolarHBondContact OG1-O 3.47Å
221N92.9Very high85.5Confident82 Ų8255.5 Ų55.544%0.43929%0.286SS..SBendtrans66.338.5-177.5-155.241.4000112.9G257 L284 I285 L286N221-G257 PolarHBondContact N-O 2.89Å; N221-L284 WeakPolarHBondContact O-CD2 3.46Å; N221-I285 PolarHBondContact ND2-O 3.02Å; N221-L286 WeakPolarHBondContact O-CD2 3.35Å
222L92.3Very high87.4Confident7 Ų758.1 Ų58.14%0.03729%0.289CS..  trans-77.9149.6172.8-69.1170000111.1V219 T226 L231 L246 G257 A259 L286V219-L222 HydrophobicContact CB-CD1 4.3Å; V219-L222 HydrophobicContact CG1-CD1 4.12Å; V219-L222 HydrophobicContact CG1-CD2 3.76Å; V219-L222 HydrophobicContact CG1-CG 3.91Å; L222-T226 HydrophobicContact CD2-CG2 4.24Å; L222-L231 HydrophobicContact CD1-CD1 4.27Å; L222-L231 HydrophobicContact CD1-CD2 4.11Å; L222-L231 HydrophobicContact CD2-CD2 3.77Å; L222-L246 HydrophobicContact CD1-CD1 4.33Å; L222-G257 PolarHBondContact N-O 3.18Å; L222-G257 VanDerWaalsContact N-O 3.14Å; L222-G257 WeakPolarHBondContact O-CA 3.37Å; L222-A259 HydrophobicContact CD1-CB 3.52Å; L222-L286 HydrophobicContact CD2-CD1 4.39Å; L222-L286 HydrophobicContact CD2-CD2 3.68Å; L222-L286 HydrophobicContact CG-CD2 4.47Å
223S90.6Very high89.1Confident16 Ų1662 Ų6211%0.11231%0.305CS..  trans-68.4155.8173.5-176.40000111.2D225 T226S223-D225 PolarHBondContact O-N 2.92Å; S223-T226 WeakPolarHBondContact CB-OG1 3.3Å; S223-T226 PolarHBondContact N-OG1 3.48Å; S223-T226 WeakPolarHBondContact O-CB 3.46Å; S223-T226 PolarHBondContact O-N 3.14Å; S223-T226 PolarHBondContact O-OG1 3.45Å
224E88Confident90.5Very high115 Ų11560.1 Ų60.154%0.53730%0.295SS..THydrogen-bonded Turntrans-64.1-30.4175.6-66.6-178.7-166.600111.7T226 Q254 S255E224-T226 VanDerWaalsContact C-N 3.33Å; E224-Q254 PolarHBondContact OE2-NE2 3.42Å; E224-S255 PolarHBondContact O-OG 3.14Å
225D87.5Confident91.5Very high127 Ų12754.8 Ų54.868%0.67927%0.266SS*.THydrogen-bonded Turntrans-80.4-13-179.7-69.9-37.9000113.6S223 R227S223-D225 PolarHBondContact O-N 2.92Å; D225-R227 PolarHBondContact O-N 3.47Å
226T89.1Confident91.7Very high3 Ų363.4 Ų63.42%0.01830%0.297CS..  trans-66.2129.7-176.4-52.20000111.4L222 S223 E224 D230 L231 L246 S255 Y281L222-T226 HydrophobicContact CD2-CG2 4.24Å; S223-T226 WeakPolarHBondContact CB-OG1 3.3Å; S223-T226 PolarHBondContact N-OG1 3.48Å; S223-T226 WeakPolarHBondContact O-CB 3.46Å; S223-T226 PolarHBondContact O-N 3.14Å; S223-T226 PolarHBondContact O-OG1 3.45Å; E224-T226 VanDerWaalsContact C-N 3.33Å; T226-D230 HydrophobicContact CG2-CB 4.36Å; T226-L231 HydrophobicContact CG2-CD2 4.03Å; T226-L231 HydrophobicContact CG2-CG 3.97Å; T226-L246 VanDerWaalsContact O-CD2 3.3Å; T226-L246 WeakPolarHBondContact O-CD2 3.48Å; T226-S255 PolarHBondContact O-OG 2.79Å; T226-Y281 HydrophobicContact CG2-CE1 4.35Å
227R91.1Very high91.8Very high170 Ų17067.5 Ų67.564%0.64232%0.324SS*.  trans-109.5167.8178.2-56.4-176.9-178.4-176.8-0.6111.8D225 T229 D230 L231D225-R227 PolarHBondContact O-N 3.47Å; R227-T229 PolarHBondContact O-N 2.92Å; R227-D230 WeakPolarHBondContact CB-OD2 3.47Å; R227-D230 PolarHBondContact N-OD2 3.22Å; R227-D230 PolarHBondContact O-N 3.34Å; R227-L231 PolarHBondContact O-N 3.07Å
228E90.6Very high91.7Very high85 Ų8569.9 Ų69.940%0.39733%0.334SS..Hα-helixtrans-62.3-32176.6-68.5179.5162.500112.4D230 Q232 I244 L246E228-D230 VanDerWaalsContact C-N 3.33Å; E228-Q232 WeakPolarHBondContact O-CB 3.25Å; E228-Q232 PolarHBondContact O-N 2.78Å; E228-I244 HydrophobicContact CB-CG2 4.23Å; E228-I244 HydrophobicContact CG-CG2 4Å; E228-L246 HydrophobicContact CG-CB 3.69Å; E228-L246 HydrophobicContact CG-CD2 4.16Å
229T92.4Very high91.5Very high78 Ų7866.5 Ų66.548%0.47933%0.327SS..Hα-helixtrans-61.6-41.9174.647.90000111.9R227 Q232 E233R227-T229 PolarHBondContact O-N 2.92Å; T229-Q232 WeakPolarHBondContact O-CB 3.35Å; T229-Q232 PolarHBondContact O-N 3.19Å; T229-Q232 VanDerWaalsContact O-N 3.17Å; T229-E233 PolarHBondContact O-N 3.17Å
230D91.8Very high91.3Very high42 Ų4270.1 Ų70.123%0.22535%0.352CS..Hα-helixtrans-73.6-39.5-174.7-42.7-28.6000109.8T226 R227 E228 Q232 E233 L234T226-D230 HydrophobicContact CG2-CB 4.36Å; R227-D230 WeakPolarHBondContact CB-OD2 3.47Å; R227-D230 PolarHBondContact N-OD2 3.22Å; R227-D230 PolarHBondContact O-N 3.34Å; E228-D230 VanDerWaalsContact C-N 3.33Å; D230-Q232 VanDerWaalsContact C-N 3.3Å; D230-Q232 PolarHBondContact O-N 3.3Å; D230-E233 PolarHBondContact O-N 2.98Å; D230-L234 VanDerWaalsContact O-CB 3.3Å; D230-L234 WeakPolarHBondContact O-CB 3.24Å; D230-L234 PolarHBondContact O-N 2.78Å
231L92Very high91.2Very high1 Ų170.6 Ų70.61%0.00535%0.353CS..Hα-helixtrans-61.5-40.1169.6-65.9174.8000111.2L222 T226 R227 E233 L234 F235 I244 L246 A259 I261L222-L231 HydrophobicContact CD1-CD1 4.27Å; L222-L231 HydrophobicContact CD1-CD2 4.11Å; L222-L231 HydrophobicContact CD2-CD2 3.77Å; T226-L231 HydrophobicContact CG2-CD2 4.03Å; T226-L231 HydrophobicContact CG2-CG 3.97Å; R227-L231 PolarHBondContact O-N 3.07Å; L231-E233 PolarHBondContact O-N 3.04Å; L231-L234 PolarHBondContact O-N 3.37Å; L231-F235 HydrophobicContact CD2-CE2 4.19Å; L231-F235 WeakPolarHBondContact O-CB 3.32Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.46Å; L231-F235 PolarHBondContact O-N 3.01Å; L231-I244 HydrophobicContact CD1-CG2 4.21Å; L231-L246 HydrophobicContact CD1-CD1 4.28Å; L231-A259 HydrophobicContact CD1-CB 3.6Å; L231-I261 HydrophobicContact CB-CD1 4.29Å
232Q93Very high91.1Very high113 Ų11369 Ų6953%0.52835%0.349SS..Hα-helixtrans-61.9-45.2176.8-172.2175.6-10.100111.2E228 T229 D230 R236 I241 I244E228-Q232 WeakPolarHBondContact O-CB 3.25Å; E228-Q232 PolarHBondContact O-N 2.78Å; T229-Q232 WeakPolarHBondContact O-CB 3.35Å; T229-Q232 PolarHBondContact O-N 3.19Å; T229-Q232 VanDerWaalsContact O-N 3.17Å; D230-Q232 VanDerWaalsContact C-N 3.3Å; D230-Q232 PolarHBondContact O-N 3.3Å; Q232-R236 VanDerWaalsContact O-CB 3.26Å; Q232-R236 WeakPolarHBondContact O-CB 3.41Å; Q232-R236 PolarHBondContact O-N 3.27Å; Q232-I241 HydrophobicContact CG-CD1 4.34Å; Q232-I244 HydrophobicContact CB-CD1 3.73Å; Q232-I244 HydrophobicContact CG-CD1 4.32Å
233E92.5Very high91Very high138 Ų13877 Ų7765%0.64538%0.378SS*.Hα-helixtrans-66.9-42.7178-72.5-173.3175.200112.8T229 D230 L231 F235 R236 P237T229-E233 PolarHBondContact O-N 3.17Å; D230-E233 PolarHBondContact O-N 2.98Å; L231-E233 PolarHBondContact O-N 3.04Å; E233-F235 VanDerWaalsContact C-N 3.31Å; E233-F235 PolarHBondContact O-N 3.14Å; E233-R236 PolarHBondContact O-N 3.1Å; E233-P237 WeakPolarHBondContact O-CD 3.32Å
234L92Very high91.1Very high34 Ų3477.7 Ų77.718%0.17838%0.381CS..Hα-helixtrans-63-38.8179.6-173.866000112D230 L231 P237 F238 V276 F279 L286D230-L234 VanDerWaalsContact O-CB 3.3Å; D230-L234 WeakPolarHBondContact O-CB 3.24Å; D230-L234 PolarHBondContact O-N 2.78Å; L231-L234 PolarHBondContact O-N 3.37Å; L234-P237 WeakPolarHBondContact O-CD 3.3Å; L234-F238 WeakPolarHBondContact O-CE2 3.4Å; L234-V276 HydrophobicContact CD2-CG1 4.29Å; L234-F279 HydrophobicContact CD1-CD1 4.37Å; L234-F279 HydrophobicContact CD1-CE1 4.09Å; L234-L286 HydrophobicContact CD2-CD1 3.72Å
235F92.7Very high91.2Very high0 Ų078.4 Ų78.40%038%0.379CS..Hα-helixtrans-93.6-10.5-176.4-74.9-79000114.1I217 V219 L231 E233 P237 F238 I241 I261 F263 A272 V276 V288I217-F235 HydrophobicContact CD1-CD1 4.06Å; I217-F235 HydrophobicContact CD1-CE1 3.57Å; I217-F235 HydrophobicContact CD1-CZ 4.05Å; V219-F235 HydrophobicContact CG2-CE2 3.91Å; V219-F235 HydrophobicContact CG2-CZ 3.6Å; L231-F235 HydrophobicContact CD2-CE2 4.19Å; L231-F235 WeakPolarHBondContact O-CB 3.32Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.46Å; L231-F235 PolarHBondContact O-N 3.01Å; E233-F235 VanDerWaalsContact C-N 3.31Å; E233-F235 PolarHBondContact O-N 3.14Å; F235-P237 VanDerWaalsContact C-CD 3.42Å; F235-F238 HydrophobicContact CD1-CD2 4.37Å; F235-F238 PolarHBondContact O-N 3.48Å; F235-F238 VanDerWaalsContact O-N 3.17Å; F235-I241 HydrophobicContact CB-CD1 3.73Å; F235-I241 HydrophobicContact CB-CG1 4.46Å; F235-I261 HydrophobicContact CD2-CD1 3.32Å; F235-I261 HydrophobicContact CE2-CD1 3.43Å; F235-I261 VanDerWaalsContact CE2-CD1 3.43Å; F235-I261 HydrophobicContact CG-CD1 3.94Å; F235-I261 HydrophobicContact CZ-CD1 4.11Å; F235-F263 HydrophobicContact CB-CZ 3.96Å; F235-F263 HydrophobicContact CD1-CE2 4.41Å; F235-F263 AromaticContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CG-CZ 4.27Å; F235-A272 HydrophobicContact CD1-CB 3.86Å; F235-A272 HydrophobicContact CE1-CB 3.99Å; F235-V276 HydrophobicContact CD1-CG2 4.42Å; F235-V276 HydrophobicContact CE1-CB 4.13Å; F235-V276 HydrophobicContact CE1-CG1 4.17Å; F235-V276 HydrophobicContact CE1-CG2 3.93Å; F235-V276 HydrophobicContact CZ-CB 4.32Å; F235-V276 HydrophobicContact CZ-CG1 3.85Å; F235-V276 HydrophobicContact CZ-CG2 4.38Å; F235-V288 HydrophobicContact CZ-CG2 4.33Å
236R91.6Very high91.5Very high188 Ų18872.7 Ų72.771%0.70935%0.349SS*.THydrogen-bonded Turntrans-54.7-39.2177.9-172.3175.1-178.7-1790114.8Q232 E233 F238Q232-R236 VanDerWaalsContact O-CB 3.26Å; Q232-R236 WeakPolarHBondContact O-CB 3.41Å; Q232-R236 PolarHBondContact O-N 3.27Å; E233-R236 PolarHBondContact O-N 3.1Å; R236-F238 PolarHBondContact O-N 3.04Å
237P92.8Very high91.5Very high104 Ų10472.8 Ų72.868%0.67535%0.35SS*.THydrogen-bonded Turntrans-66.3-23.2180-22.534.9000113.9E233 L234 F235E233-P237 WeakPolarHBondContact O-CD 3.32Å; L234-P237 WeakPolarHBondContact O-CD 3.3Å; F235-P237 VanDerWaalsContact C-CD 3.42Å
238F90.5Very high91.5Very high49 Ų4969.4 Ų69.422%0.21534%0.34CS..THydrogen-bonded Turntrans-87.8-28.1-175.1-56.9-79.2000112.8L234 F235 R236 D268 R271 A272 V276L234-F238 WeakPolarHBondContact O-CE2 3.4Å; F235-F238 HydrophobicContact CD1-CD2 4.37Å; F235-F238 PolarHBondContact O-N 3.48Å; F235-F238 VanDerWaalsContact O-N 3.17Å; R236-F238 PolarHBondContact O-N 3.04Å; F238-D268 WeakPolarHBondContact O-CB 3.26Å; F238-R271 PolarHBondContact O-NH2 3.4Å; F238-A272 HydrophobicContact CB-CB 3.95Å; F238-A272 HydrophobicContact CD2-CB 4.33Å; F238-A272 HydrophobicContact CG-CB 4.01Å; F238-V276 HydrophobicContact CD2-CG2 4.26Å; F238-V276 HydrophobicContact CE2-CG2 3.38Å; F238-V276 HydrophobicContact CZ-CG2 3.57Å
239G90Very high91.4Very high17 Ų1767.7 Ų67.718%0.17533%0.333CS..  trans166.2-174.5176.300000114.6
240S90.6Very high91Very high76 Ų7673.4 Ų73.453%0.53135%0.352SS..  trans-82.4124.4179.5-490000111H264S240-H264 PolarHBondContact O-CD2 3.27Å; S240-H264 PolarHBondContact O-N 3.23Å
241I92.3Very high90.7Very high38 Ų3878.6 Ų78.620%0.19538%0.379CS..EExtended strand (participates in β ladder)trans-89.2128.5-179.2-56.4167.5000109Q232 F235 I244 I261 F263Q232-I241 HydrophobicContact CG-CD1 4.34Å; F235-I241 HydrophobicContact CB-CD1 3.73Å; F235-I241 HydrophobicContact CB-CG1 4.46Å; I241-I244 HydrophobicContact CD1-CD1 4.23Å; I241-I244 HydrophobicContact CG2-CD1 4.15Å; I241-I244 HydrophobicContact CG2-CG1 3.58Å; I241-I261 HydrophobicContact CD1-CG2 4.44Å; I241-I261 HydrophobicContact CG1-CG2 4.26Å; I241-I261 HydrophobicContact CG2-CG2 3.63Å; I241-F263 HydrophobicContact CG1-CD1 4.34Å; I241-F263 HydrophobicContact CG1-CE1 3.94Å; I241-F263 HydrophobicContact CG1-CZ 4.29Å
242S90.4Very high90.3Very high49 Ų4982.7 Ų82.734%0.34341%0.405SS..EExtended strand (participates in β ladder)trans-82.6-49.1175.7177.10000110.8S262S242-S262 WeakPolarHBondContact CA-O 3.25Å; S242-S262 WeakPolarHBondContact CB-O 3.43Å; S242-S262 PolarHBondContact N-O 2.94Å
243R89.1Confident89.7Confident174 Ų17479.6 Ų79.666%0.65740%0.403SS*.EExtended strand (participates in β ladder)trans-149.2137.7-177.6-168.5175.6-176.1-172.90.1111.9S262R243-S262 PolarHBondContact N-O 2.92Å; R243-S262 VanDerWaalsContact N-O 3.16Å; R243-S262 PolarHBondContact O-N 3.37Å
244I92.4Very high89.3Confident31 Ų3177.7 Ų77.716%0.15939%0.394CS..EExtended strand (participates in β ladder)trans-110.5135.8169.7-56.9175.5000107.5E228 L231 Q232 I241 I261E228-I244 HydrophobicContact CB-CG2 4.23Å; E228-I244 HydrophobicContact CG-CG2 4Å; L231-I244 HydrophobicContact CD1-CG2 4.21Å; Q232-I244 HydrophobicContact CB-CD1 3.73Å; Q232-I244 HydrophobicContact CG-CD1 4.32Å; I241-I244 HydrophobicContact CD1-CD1 4.23Å; I241-I244 HydrophobicContact CG2-CD1 4.15Å; I241-I244 HydrophobicContact CG2-CG1 3.58Å; I244-I261 HydrophobicContact CG1-CG2 4.46Å; I244-I261 HydrophobicContact CG2-CG1 4.47Å
245Y91.8Very high89Confident130 Ų13076.7 Ų76.751%0.5139%0.39SS..EExtended strand (participates in β ladder)trans-131.3101.6171.1177.5-104.9000108.7A247 A259 F260Y245-A247 HydrophobicContact CE1-CB 4.4Å; Y245-A259 CarbonylContact O-C 3.53Å; Y245-A259 WeakPolarHBondContact O-CA 3.42Å; Y245-F260 HydrophobicContact CD1-CB 4.49Å; Y245-F260 AromaticContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CE1-CD2 4.49Å; Y245-F260 PolarHBondContact N-O 3.11Å; Y245-F260 PolarHBondContact O-N 3.1Å
246L92.6Very high88.8Confident7 Ų781.9 Ų81.94%0.03741%0.412CS..EExtended strand (participates in β ladder)trans-87.4119.1173.5179.458.8000109.1L222 T226 E228 L231 K248 A259L222-L246 HydrophobicContact CD1-CD1 4.33Å; T226-L246 VanDerWaalsContact O-CD2 3.3Å; T226-L246 WeakPolarHBondContact O-CD2 3.48Å; E228-L246 HydrophobicContact CG-CB 3.69Å; E228-L246 HydrophobicContact CG-CD2 4.16Å; L231-L246 HydrophobicContact CD1-CD1 4.28Å; L246-K248 VanDerWaalsContact CD2-CE 3.46Å; L246-K248 HydrophobicContact CD2-CG 4.47Å; L246-K248 HydrophobicContact CG-CG 4.18Å; L246-K248 PolarHBondContact O-N 2.8Å; L246-K248 VanDerWaalsContact O-N 3.11Å; L246-A259 HydrophobicContact CD1-CB 4Å
247A90Very high88.7Confident5 Ų573.9 Ų73.94%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-75.4108.3178.800000109.6Y245 K256 F258Y245-A247 HydrophobicContact CE1-CB 4.4Å; A247-K256 HydrophobicContact CB-CB 4.39Å; A247-K256 WeakPolarHBondContact O-CB 3.18Å; A247-K256 PolarHBondContact O-N 3.03Å; A247-F258 HydrophobicContact CB-CD1 4.48Å; A247-F258 HydrophobicContact CB-CD2 3.4Å; A247-F258 HydrophobicContact CB-CE1 4.19Å; A247-F258 HydrophobicContact CB-CE2 3.02Å; A247-F258 HydrophobicContact CB-CG 4.14Å; A247-F258 HydrophobicContact CB-CZ 3.47Å; A247-F258 VanDerWaalsContact CB-CZ 3.47Å; A247-F258 WeakPolarHBondContact CB-O 3.44Å; A247-F258 PolarHBondContact N-O 3.44Å; A247-F258 VanDerWaalsContact N-O 3.16Å
248K90.2Very high88.7Confident98 Ų9872.4 Ų72.443%0.42637%0.371SS..EExtended strand (participates in β ladder)trans-104.4148.7175.1-61.5-179.9-176.71790110.4L246 Q254L246-K248 VanDerWaalsContact CD2-CE 3.46Å; L246-K248 HydrophobicContact CD2-CG 4.47Å; L246-K248 HydrophobicContact CG-CG 4.18Å; L246-K248 PolarHBondContact O-N 2.8Å; L246-K248 VanDerWaalsContact O-N 3.11Å; K248-Q254 CarbonylContact C-O 3.58Å; K248-Q254 VanDerWaalsContact CA-O 3.32Å; K248-Q254 WeakPolarHBondContact CA-O 3.36Å
249D87.6Confident88.8Confident50 Ų5070 Ų7027%0.26736%0.361SS..  trans-74.7135.8171.1-16226.2000111.2N251 G253 Q254 K256D249-N251 VanDerWaalsContact C-N 3.25Å; D249-N251 PolarHBondContact O-N 3.16Å; D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.03Å; D249-Q254 PolarHBondContact N-O 2.95Å; D249-K256 HydrophobicContact CB-CG 4.25Å; D249-K256 WeakPolarHBondContact OD1-CE 3.44Å; D249-K256 IonicContact OD1-NZ 3.45Å; D249-K256 PolarHBondContact OD1-NZ 2.63Å; D249-K256 VanDerWaalsContact OD1-NZ 3.1Å
250K84.8Confident89Confident198 Ų19872.2 Ų72.286%0.86137%0.366SS*.THydrogen-bonded Turntrans-71.9-24.7-172.1-68.4-176.2178.2-176.20112.4
251N85.7Confident89.1Confident150 Ų15068.6 Ų68.680%0.80234%0.34SS*.THydrogen-bonded Turntrans-91.4-45-175.8-61.3-20.1000111.8D249D249-N251 VanDerWaalsContact C-N 3.25Å; D249-N251 PolarHBondContact O-N 3.16Å
252T82.8Confident89.1Confident88 Ų8867.3 Ų67.354%0.5433%0.334SS..THydrogen-bonded Turntrans-97.4-15.7-176.261.60000113.5Q254T252-Q254 PolarHBondContact O-N 2.84Å; T252-Q254 VanDerWaalsContact O-N 3.14Å; T252-Q254 PolarHBondContact OG1-N 2.84Å
253G81.7Confident89.2Confident48 Ų4865.1 Ų65.150%0.49532%0.319SS..  trans71.3-3-175.100000114.6D249D249-G253 VanDerWaalsContact O-CA 3.24Å; D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.03Å
254Q82.9Confident89.2Confident97 Ų9762.8 Ų62.845%0.45332%0.315SS..  trans-76.1151.3-179.8-68.8-168.9-46.400112.2E224 K248 D249 T252E224-Q254 PolarHBondContact OE2-NE2 3.42Å; K248-Q254 CarbonylContact C-O 3.58Å; K248-Q254 VanDerWaalsContact CA-O 3.32Å; K248-Q254 WeakPolarHBondContact CA-O 3.36Å; D249-Q254 PolarHBondContact N-O 2.95Å; T252-Q254 PolarHBondContact O-N 2.84Å; T252-Q254 VanDerWaalsContact O-N 3.14Å; T252-Q254 PolarHBondContact OG1-N 2.84Å
255S87.3Confident89.1Confident13 Ų1366.9 Ų66.99%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-67.5130.4176.7-58.90000110.7E224 T226 G257E224-S255 PolarHBondContact O-OG 3.14Å; T226-S255 PolarHBondContact O-OG 2.79Å; S255-G257 PolarHBondContact O-N 3.44Å; S255-G257 VanDerWaalsContact O-N 3.07Å
256K87.6Confident89Confident110 Ų11067.9 Ų67.948%0.47833%0.331SS..EExtended strand (participates in β ladder)trans-74.810.6177.3-68.7-172166.3173.10113.8A247 D249 F258A247-K256 HydrophobicContact CB-CB 4.39Å; A247-K256 WeakPolarHBondContact O-CB 3.18Å; A247-K256 PolarHBondContact O-N 3.03Å; D249-K256 HydrophobicContact CB-CG 4.25Å; D249-K256 WeakPolarHBondContact OD1-CE 3.44Å; D249-K256 IonicContact OD1-NZ 3.45Å; D249-K256 PolarHBondContact OD1-NZ 2.63Å; D249-K256 VanDerWaalsContact OD1-NZ 3.1Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 HydrophobicContact CB-CD1 3.8Å; K256-F258 HydrophobicContact CB-CE1 3.35Å; K256-F258 HydrophobicContact CB-CZ 3.99Å; K256-F258 HydrophobicContact CD-CE1 4.1Å; K256-F258 HydrophobicContact CD-CZ 4.11Å; K256-F258 HydrophobicContact CG-CE1 4.33Å; K256-F258 VanDerWaalsContact O-CD1 3.23Å; K256-F258 WeakPolarHBondContact O-CD1 3.49Å; K256-F258 PolarHBondContact O-N 2.9Å
257G89.7Confident89Confident19 Ų1972.9 Ų72.920%0.19636%0.355CS..EExtended strand (participates in β ladder)trans73.914.6-178.500000115.1N221 L222 S255N221-G257 PolarHBondContact N-O 2.89Å; L222-G257 PolarHBondContact N-O 3.18Å; L222-G257 VanDerWaalsContact N-O 3.14Å; L222-G257 WeakPolarHBondContact O-CA 3.37Å; S255-G257 PolarHBondContact O-N 3.44Å; S255-G257 VanDerWaalsContact O-N 3.07Å
258F91.9Very high89.1Confident73 Ų7372.7 Ų72.732%0.3235%0.353SS..EExtended strand (participates in β ladder)trans-140.8147.1173.661-90.6000113V219 A247 K256 F260V219-F258 CarbonylContact O-C 3.59Å; V219-F258 VanDerWaalsContact O-CA 3.24Å; V219-F258 WeakPolarHBondContact O-CA 3.35Å; A247-F258 HydrophobicContact CB-CD1 4.48Å; A247-F258 HydrophobicContact CB-CD2 3.4Å; A247-F258 HydrophobicContact CB-CE1 4.19Å; A247-F258 HydrophobicContact CB-CE2 3.02Å; A247-F258 HydrophobicContact CB-CG 4.14Å; A247-F258 HydrophobicContact CB-CZ 3.47Å; A247-F258 VanDerWaalsContact CB-CZ 3.47Å; A247-F258 WeakPolarHBondContact CB-O 3.44Å; A247-F258 PolarHBondContact N-O 3.44Å; A247-F258 VanDerWaalsContact N-O 3.16Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 HydrophobicContact CB-CD1 3.8Å; K256-F258 HydrophobicContact CB-CE1 3.35Å; K256-F258 HydrophobicContact CB-CZ 3.99Å; K256-F258 HydrophobicContact CD-CE1 4.1Å; K256-F258 HydrophobicContact CD-CZ 4.11Å; K256-F258 HydrophobicContact CG-CE1 4.33Å; K256-F258 VanDerWaalsContact O-CD1 3.23Å; K256-F258 WeakPolarHBondContact O-CD1 3.49Å; K256-F258 PolarHBondContact O-N 2.9Å; F258-F260 AromaticContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CE2-CE2 4.17Å
259A93.5Very high89.1Confident0 Ų068 Ų680%033%0.333CS..EExtended strand (participates in β ladder)trans-138.2153.2177.200000111R218 V219 L222 L231 Y245 L246R218-A259 WeakPolarHBondContact CA-O 3.24Å; V219-A259 PolarHBondContact N-O 3.25Å; V219-A259 PolarHBondContact O-N 2.93Å; L222-A259 HydrophobicContact CD1-CB 3.52Å; L231-A259 HydrophobicContact CD1-CB 3.6Å; Y245-A259 CarbonylContact O-C 3.53Å; Y245-A259 WeakPolarHBondContact O-CA 3.42Å; L246-A259 HydrophobicContact CD1-CB 4Å
260F93.5Very high89.3Confident63 Ų6367.7 Ų67.728%0.27634%0.337SS..EExtended strand (participates in β ladder)trans-115128.2172-66.3-89.9000108.9T216 I217 R218 Y245 F258 A291T216-F260 HydrophobicContact CG2-CB 4.3Å; T216-F260 HydrophobicContact CG2-CD1 4.41Å; I217-F260 WeakPolarHBondContact O-CA 3.23Å; R218-F260 HydrophobicContact CB-CD1 4.11Å; R218-F260 HydrophobicContact CB-CE1 3.93Å; R218-F260 HydrophobicContact CG-CD1 4.18Å; R218-F260 HydrophobicContact CG-CE1 3.74Å; R218-F260 HydrophobicContact CG-CZ 4.07Å; Y245-F260 HydrophobicContact CD1-CB 4.49Å; Y245-F260 AromaticContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CD1-CD2 3.93Å; Y245-F260 HydrophobicContact CE1-CD2 4.49Å; Y245-F260 PolarHBondContact N-O 3.11Å; Y245-F260 PolarHBondContact O-N 3.1Å; F258-F260 AromaticContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CD2-CE2 3.91Å; F258-F260 HydrophobicContact CE2-CE2 4.17Å; F260-A291 HydrophobicContact CD1-CB 3.89Å; F260-A291 HydrophobicContact CE1-CB 4.07Å
261I93.4Very high89.7Confident0 Ų064.6 Ų64.60%032%0.32CS..EExtended strand (participates in β ladder)trans-124.8117.7-178.8-56.1176.2000107.6T216 I217 V219 L231 F235 I241 I244 F263T216-I261 CarbonylContact C-O 3.54Å; T216-I261 WeakPolarHBondContact CA-O 3.49Å; I217-I261 HydrophobicContact CD1-CB 4.21Å; I217-I261 HydrophobicContact CG1-CB 3.77Å; I217-I261 WeakPolarHBondContact CG1-O 3.5Å; I217-I261 PolarHBondContact N-O 3.02Å; I217-I261 PolarHBondContact O-N 2.8Å; V219-I261 HydrophobicContact CG2-CD1 3.99Å; L231-I261 HydrophobicContact CB-CD1 4.29Å; F235-I261 HydrophobicContact CD2-CD1 3.32Å; F235-I261 HydrophobicContact CE2-CD1 3.43Å; F235-I261 VanDerWaalsContact CE2-CD1 3.43Å; F235-I261 HydrophobicContact CG-CD1 3.94Å; F235-I261 HydrophobicContact CZ-CD1 4.11Å; I241-I261 HydrophobicContact CD1-CG2 4.44Å; I241-I261 HydrophobicContact CG1-CG2 4.26Å; I241-I261 HydrophobicContact CG2-CG2 3.63Å; I244-I261 HydrophobicContact CG1-CG2 4.46Å; I244-I261 HydrophobicContact CG2-CG1 4.47Å; I261-F263 HydrophobicContact CB-CE2 4.45Å; I261-F263 HydrophobicContact CG2-CD2 4.14Å; I261-F263 HydrophobicContact CG2-CE2 3.72Å; I261-F263 HydrophobicContact CG2-CZ 4.27Å
262S91.9Very high90.1Very high10 Ų1057.4 Ų57.47%0.0728%0.281CS..EExtended strand (participates in β ladder)trans-96.3121.6174-1780000109D212 T216 S242 R243D212-S262 PolarHBondContact O-OG 2.92Å; D212-S262 VanDerWaalsContact O-OG 3.05Å; T216-S262 WeakPolarHBondContact OG1-CB 3.41Å; T216-S262 PolarHBondContact OG1-OG 3.49Å; S242-S262 WeakPolarHBondContact CA-O 3.25Å; S242-S262 WeakPolarHBondContact CB-O 3.43Å; S242-S262 PolarHBondContact N-O 2.94Å; R243-S262 PolarHBondContact N-O 2.92Å; R243-S262 VanDerWaalsContact N-O 3.16Å; R243-S262 PolarHBondContact O-N 3.37Å
263F92.5Very high90.6Very high3 Ų354.7 Ų54.71%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-90.3154.3173.8-77.3-95.5000110.9A215 I217 F235 I241 I261 R265 D268 A269 A272A215-F263 HydrophobicContact CB-CB 4.49Å; A215-F263 VanDerWaalsContact CB-O 3.29Å; A215-F263 WeakPolarHBondContact CB-O 3.09Å; A215-F263 PolarHBondContact O-N 3.32Å; I217-F263 HydrophobicContact CD1-CD2 4.49Å; I217-F263 HydrophobicContact CD1-CE2 3.64Å; I217-F263 HydrophobicContact CD1-CZ 4.49Å; I217-F263 HydrophobicContact CG1-CD2 4.42Å; I217-F263 HydrophobicContact CG1-CE2 3.99Å; F235-F263 HydrophobicContact CB-CZ 3.96Å; F235-F263 HydrophobicContact CD1-CE2 4.41Å; F235-F263 AromaticContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CD1-CZ 3.91Å; F235-F263 HydrophobicContact CG-CZ 4.27Å; I241-F263 HydrophobicContact CG1-CD1 4.34Å; I241-F263 HydrophobicContact CG1-CE1 3.94Å; I241-F263 HydrophobicContact CG1-CZ 4.29Å; I261-F263 HydrophobicContact CB-CE2 4.45Å; I261-F263 HydrophobicContact CG2-CD2 4.14Å; I261-F263 HydrophobicContact CG2-CE2 3.72Å; I261-F263 HydrophobicContact CG2-CZ 4.27Å; F263-R265 WeakPolarHBondContact CB-O 3.47Å; F263-R265 PolarHBondContact O-N 3.48Å; F263-D268 HydrophobicContact CD1-CB 3.9Å; F263-D268 HydrophobicContact CE1-CB 4.49Å; F263-D268 HydrophobicContact CG-CB 4.43Å; F263-A269 HydrophobicContact CB-CB 4.22Å; F263-A269 HydrophobicContact CD2-CB 3.82Å; F263-A269 HydrophobicContact CG-CB 4.19Å; F263-A272 HydrophobicContact CE2-CB 4.27Å; F263-A272 HydrophobicContact CZ-CB 4Å
264H90.3Very high91.1Very high125 Ų12556.5 Ų56.558%0.57927%0.273SS*.SBendtrans-63.8-30.6170.9-80.6-74.5000112.7S240S240-H264 PolarHBondContact O-CD2 3.27Å; S240-H264 PolarHBondContact O-N 3.23Å
265R89.8Confident91.4Very high117 Ų11754 Ų5444%0.44227%0.273SS..SBendtrans-128.6136.4-178.1-56.9-176.9-61.5167.9-3.7110.7F263 E267 D268 A269F263-R265 WeakPolarHBondContact CB-O 3.47Å; F263-R265 PolarHBondContact O-N 3.48Å; R265-E267 VanDerWaalsContact C-N 3.28Å; R265-E267 HydrophobicContact CB-CG 3.95Å; R265-E267 VanDerWaalsContact CD-OE1 3.3Å; R265-E267 WeakPolarHBondContact CD-OE1 3.45Å; R265-E267 IonicContact CZ-OE1 3.59Å; R265-E267 IonicContact NE-OE1 3.63Å; R265-E267 PolarHBondContact NE-OE1 3.03Å; R265-E267 IonicContact NH1-OE1 3.9Å; R265-E267 PolarHBondContact NH1-OE1 2.82Å; R265-E267 PolarHBondContact O-N 3.16Å; R265-D268 IonicContact CZ-OD1 2.89Å; R265-D268 IonicContact CZ-OD2 2.63Å; R265-D268 VanDerWaalsContact CZ-OD2 3.32Å; R265-D268 IonicContact NE-OD1 3.2Å; R265-D268 IonicContact NE-OD2 2.9Å; R265-D268 PolarHBondContact NE-OD2 3.16Å; R265-D268 VanDerWaalsContact NH2-CG 3.31Å; R265-D268 IonicContact NH2-OD1 3.1Å; R265-D268 PolarHBondContact NH2-OD1 3.26Å; R265-D268 IonicContact NH2-OD2 2.83Å; R265-D268 PolarHBondContact NH2-OD2 3.47Å; R265-D268 PolarHBondContact O-N 2.93Å; R265-A269 PolarHBondContact O-N 3.44Å
266R89.8Confident91.5Very high152 Ų15253.5 Ų53.557%0.57427%0.27SS*.Hα-helixtrans-64.9-31.3178.5-176.1176.6174.6172.7-0.9112.9N214 A215 D268 A269 A270 W290N214-R266 WeakPolarHBondContact O-CD 3.48Å; A215-R266 HydrophobicContact CB-CB 4.16Å; R266-D268 VanDerWaalsContact C-N 3.32Å; R266-D268 PolarHBondContact O-N 2.74Å; R266-A269 WeakPolarHBondContact O-CB 3.42Å; R266-A269 PolarHBondContact O-N 2.78Å; R266-A270 PolarHBondContact O-N 2.82Å; R266-W290 HydrophobicContact CG-CH2 3.78Å; R266-W290 HydrophobicContact CG-CZ3 4.16Å
267E91.3Very high91.6Very high112 Ų11251 Ų5152%0.52327%0.266SS..Hα-helixtrans-64.5-35176.965.4-161.8179.100112.7R265 A270 R271R265-E267 VanDerWaalsContact C-N 3.28Å; R265-E267 HydrophobicContact CB-CG 3.95Å; R265-E267 VanDerWaalsContact CD-OE1 3.3Å; R265-E267 WeakPolarHBondContact CD-OE1 3.45Å; R265-E267 IonicContact CZ-OE1 3.59Å; R265-E267 IonicContact NE-OE1 3.63Å; R265-E267 PolarHBondContact NE-OE1 3.03Å; R265-E267 IonicContact NH1-OE1 3.9Å; R265-E267 PolarHBondContact NH1-OE1 2.82Å; R265-E267 PolarHBondContact O-N 3.16Å; E267-A270 PolarHBondContact O-N 3.38Å; E267-R271 WeakPolarHBondContact O-CG 3.38Å; E267-R271 PolarHBondContact O-N 3.39Å; E267-R271 VanDerWaalsContact O-N 3.16Å
268D92.3Very high91.5Very high1 Ų152.5 Ų52.51%0.00528%0.282CS..Hα-helixtrans-70.1-42.5176.9-64.2-9.5000110.6F238 F263 R265 R266 A270 R271 A272F238-D268 WeakPolarHBondContact O-CB 3.26Å; F263-D268 HydrophobicContact CD1-CB 3.9Å; F263-D268 HydrophobicContact CE1-CB 4.49Å; F263-D268 HydrophobicContact CG-CB 4.43Å; R265-D268 IonicContact CZ-OD1 2.89Å; R265-D268 IonicContact CZ-OD2 2.63Å; R265-D268 VanDerWaalsContact CZ-OD2 3.32Å; R265-D268 IonicContact NE-OD1 3.2Å; R265-D268 IonicContact NE-OD2 2.9Å; R265-D268 PolarHBondContact NE-OD2 3.16Å; R265-D268 VanDerWaalsContact NH2-CG 3.31Å; R265-D268 IonicContact NH2-OD1 3.1Å; R265-D268 PolarHBondContact NH2-OD1 3.26Å; R265-D268 IonicContact NH2-OD2 2.83Å; R265-D268 PolarHBondContact NH2-OD2 3.47Å; R265-D268 PolarHBondContact O-N 2.93Å; R266-D268 VanDerWaalsContact C-N 3.32Å; R266-D268 PolarHBondContact O-N 2.74Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.38Å; D268-R271 PolarHBondContact O-N 2.92Å; D268-R271 IonicContact OD1-CZ 2.94Å; D268-R271 IonicContact OD1-NE 3.93Å; D268-R271 IonicContact OD1-NH2 3.33Å; D268-R271 PolarHBondContact OD1-NH2 3.02Å; D268-A272 WeakPolarHBondContact O-CB 3.29Å; D268-A272 PolarHBondContact O-N 3.48Å
269A91.4Very high91.3Very high0 Ų053.9 Ų53.90%029%0.288CS..Hα-helixtrans-59.4-41.6173.300000112.4I217 F263 R265 R266 R271 A272 I273 W290I217-A269 HydrophobicContact CG2-CB 3.7Å; F263-A269 HydrophobicContact CB-CB 4.22Å; F263-A269 HydrophobicContact CD2-CB 3.82Å; F263-A269 HydrophobicContact CG-CB 4.19Å; R265-A269 PolarHBondContact O-N 3.44Å; R266-A269 WeakPolarHBondContact O-CB 3.42Å; R266-A269 PolarHBondContact O-N 2.78Å; A269-R271 PolarHBondContact O-N 3.27Å; A269-A272 PolarHBondContact O-N 3.38Å; A269-I273 WeakPolarHBondContact O-CG1 3.47Å; A269-I273 PolarHBondContact O-N 3.02Å; A269-W290 HydrophobicContact CB-CH2 3.77Å; A269-W290 HydrophobicContact CB-CZ3 3.74Å
270A91.8Very high91.2Very high43 Ų4356.2 Ų56.236%0.35531%0.312SS..Hα-helixtrans-64.1-40.2177.200000112.2R266 E267 D268 I273 A274 W290R266-A270 PolarHBondContact O-N 2.82Å; E267-A270 PolarHBondContact O-N 3.38Å; D268-A270 VanDerWaalsContact C-N 3.33Å; D268-A270 PolarHBondContact O-N 3.38Å; A270-I273 PolarHBondContact O-N 3.32Å; A270-A274 PolarHBondContact O-N 2.76Å; A270-W290 HydrophobicContact CB-CH2 4.18Å; A270-W290 HydrophobicContact CB-CZ2 3.88Å
271R93.1Very high90.9Very high132 Ų13256 Ų5650%0.49831%0.31SS..Hα-helixtrans-66-40.7174.9-72.1-172.6-72159-2.7112F238 E267 D268 A269 I273 A274 G275F238-R271 PolarHBondContact O-NH2 3.4Å; E267-R271 WeakPolarHBondContact O-CG 3.38Å; E267-R271 PolarHBondContact O-N 3.39Å; E267-R271 VanDerWaalsContact O-N 3.16Å; D268-R271 PolarHBondContact O-N 2.92Å; D268-R271 IonicContact OD1-CZ 2.94Å; D268-R271 IonicContact OD1-NE 3.93Å; D268-R271 IonicContact OD1-NH2 3.33Å; D268-R271 PolarHBondContact OD1-NH2 3.02Å; A269-R271 PolarHBondContact O-N 3.27Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.49Å; R271-A274 PolarHBondContact O-N 3.48Å; R271-G275 PolarHBondContact O-N 3.43Å
272A93.1Very high90.4Very high0 Ų058.7 Ų58.70%033%0.325CS..Hα-helixtrans-61.4-41.3176.200000112.3I217 F235 F238 F263 D268 A269 A274 G275 V276I217-A272 HydrophobicContact CD1-CB 4.41Å; F235-A272 HydrophobicContact CD1-CB 3.86Å; F235-A272 HydrophobicContact CE1-CB 3.99Å; F238-A272 HydrophobicContact CB-CB 3.95Å; F238-A272 HydrophobicContact CD2-CB 4.33Å; F238-A272 HydrophobicContact CG-CB 4.01Å; F263-A272 HydrophobicContact CE2-CB 4.27Å; F263-A272 HydrophobicContact CZ-CB 4Å; D268-A272 WeakPolarHBondContact O-CB 3.29Å; D268-A272 PolarHBondContact O-N 3.48Å; A269-A272 PolarHBondContact O-N 3.38Å; A272-A274 PolarHBondContact O-N 2.94Å; A272-G275 PolarHBondContact O-N 3.05Å; A272-V276 WeakPolarHBondContact O-CB 3.37Å; A272-V276 PolarHBondContact O-N 3.44Å
273I93.2Very high90.1Very high30 Ų3067.4 Ų67.415%0.15436%0.364CS..Hα-helixtrans-59.8-47.1175.9-70.2162.2000111.1I217 A269 A270 R271 G275 S277 V288 W290I217-I273 HydrophobicContact CG2-CD1 3.87Å; I217-I273 HydrophobicContact CG2-CG1 3.95Å; A269-I273 WeakPolarHBondContact O-CG1 3.47Å; A269-I273 PolarHBondContact O-N 3.02Å; A270-I273 PolarHBondContact O-N 3.32Å; R271-I273 VanDerWaalsContact C-N 3.35Å; R271-I273 PolarHBondContact O-N 3.49Å; I273-G275 VanDerWaalsContact C-N 3.35Å; I273-G275 PolarHBondContact O-N 3.48Å; I273-S277 WeakPolarHBondContact O-CB 3.38Å; I273-S277 PolarHBondContact O-N 3.49Å; I273-V288 HydrophobicContact CG1-CG1 3.82Å; I273-W290 HydrophobicContact CD1-CD2 3.52Å; I273-W290 HydrophobicContact CD1-CE3 4.04Å; I273-W290 HydrophobicContact CD1-CG 3.91Å; I273-W290 HydrophobicContact CD1-CH2 4.12Å; I273-W290 HydrophobicContact CD1-CZ2 3.62Å; I273-W290 HydrophobicContact CD1-CZ3 4.31Å
274A92.1Very high90Very high86 Ų8669.9 Ų69.971%0.71138%0.377SS*.Hα-helixtrans-70.1-29.7-178.600000113.4A270 R271 A272A270-A274 PolarHBondContact O-N 2.76Å; R271-A274 PolarHBondContact O-N 3.48Å; A272-A274 PolarHBondContact O-N 2.94Å
275G89.2Confident90.1Very high44 Ų4469.2 Ų69.245%0.45438%0.376SS..Hα-helixtrans-88.7-37.2-176.800000114.9R271 A272 I273R271-G275 PolarHBondContact O-N 3.43Å; A272-G275 PolarHBondContact O-N 3.05Å; I273-G275 VanDerWaalsContact C-N 3.35Å; I273-G275 PolarHBondContact O-N 3.48Å
276V90Very high90.3Very high3 Ų363.7 Ų63.72%0.01836%0.355CS..Hα-helixtrans-98.1-18.8-172.8178.40000112.5L234 F235 F238 A272 G278 F279 L286 V288L234-V276 HydrophobicContact CD2-CG1 4.29Å; F235-V276 HydrophobicContact CD1-CG2 4.42Å; F235-V276 HydrophobicContact CE1-CB 4.13Å; F235-V276 HydrophobicContact CE1-CG1 4.17Å; F235-V276 HydrophobicContact CE1-CG2 3.93Å; F235-V276 HydrophobicContact CZ-CB 4.32Å; F235-V276 HydrophobicContact CZ-CG1 3.85Å; F235-V276 HydrophobicContact CZ-CG2 4.38Å; F238-V276 HydrophobicContact CD2-CG2 4.26Å; F238-V276 HydrophobicContact CE2-CG2 3.38Å; F238-V276 HydrophobicContact CZ-CG2 3.57Å; A272-V276 WeakPolarHBondContact O-CB 3.37Å; A272-V276 PolarHBondContact O-N 3.44Å; V276-G278 PolarHBondContact O-N 3.29Å; V276-F279 HydrophobicContact CG1-CB 4.49Å; V276-F279 VanDerWaalsContact O-CB 3.25Å; V276-F279 WeakPolarHBondContact O-CB 3.3Å; V276-F279 PolarHBondContact O-N 3.34Å; V276-L286 HydrophobicContact CG1-CB 4.49Å; V276-L286 HydrophobicContact CG1-CD1 4.09Å; V276-V288 HydrophobicContact CB-CG2 3.98Å; V276-V288 HydrophobicContact CG1-CG2 3.74Å
277S90Very high90.4Very high57 Ų5759.1 Ų59.140%0.39934%0.342SS..THydrogen-bonded Turntrans-66.3121.3175.5-168.80000110.7I273I273-S277 WeakPolarHBondContact O-CB 3.38Å; I273-S277 PolarHBondContact O-N 3.49Å
278G88Confident90.6Very high51 Ų5154 Ų5453%0.52632%0.319SS..THydrogen-bonded Turntrans88.51.6-174.400000114.6V276 L286V276-G278 PolarHBondContact O-N 3.29Å; G278-L286 PolarHBondContact N-O 2.87Å
279F88Confident90.6Very high102 Ų10257.8 Ų57.845%0.44734%0.337SS..  trans-76.4133175.2-174.5-104.9000111.1L234 V276 Y281 L286L234-F279 HydrophobicContact CD1-CD1 4.37Å; L234-F279 HydrophobicContact CD1-CE1 4.09Å; V276-F279 HydrophobicContact CG1-CB 4.49Å; V276-F279 VanDerWaalsContact O-CB 3.25Å; V276-F279 WeakPolarHBondContact O-CB 3.3Å; V276-F279 PolarHBondContact O-N 3.34Å; F279-Y281 HydrophobicContact CE1-CD2 4.33Å; F279-L286 PolarHBondContact O-N 2.8Å
280G89.9Confident90.7Very high50 Ų5062.8 Ų62.852%0.51536%0.355SS..EExtended strand (participates in β ladder)trans-83.4117.2175.700000111.4L284G280-L284 CarbonylContact C-O 3.59Å; G280-L284 WeakPolarHBondContact CA-O 3.35Å
281Y87.2Confident90.6Very high58 Ų5861.7 Ų61.723%0.22735%0.346CS..EExtended strand (participates in β ladder)trans-130.9129.9176.8-172.5-91.6000109.5T226 F279 H283 L284 L286T226-Y281 HydrophobicContact CG2-CE1 4.35Å; F279-Y281 HydrophobicContact CE1-CD2 4.33Å; Y281-H283 PolarHBondContact O-N 3.45Å; Y281-L284 PolarHBondContact N-O 3.19Å; Y281-L284 PolarHBondContact O-N 3.27Å; Y281-L286 HydrophobicContact CG-CD1 4.34Å
282D83.3Confident90.1Very high57 Ų5764.1 Ų64.131%0.30536%0.361SS..THydrogen-bonded Turntrans45.647.6-175.5-69.2-18.3000113.2L284D282-L284 WeakPolarHBondContact O-CD1 3.49Å; D282-L284 PolarHBondContact O-N 3.02Å; D282-L284 VanDerWaalsContact O-N 3.08Å
283H86.4Confident89.2Confident193 Ų19368.8 Ų68.889%0.89439%0.391SS*.THydrogen-bonded Turntrans68.43.6177.3-24.7-62.2000114.8Y281Y281-H283 PolarHBondContact O-N 3.45Å
284L90.1Very high87.7Confident54 Ų5471.8 Ų71.828%0.28342%0.415SS..EExtended strand (participates in β ladder)trans-111.5143.6175.4-78.578.7000110.6N221 G280 Y281 D282N221-L284 WeakPolarHBondContact O-CD2 3.46Å; G280-L284 CarbonylContact C-O 3.59Å; G280-L284 WeakPolarHBondContact CA-O 3.35Å; Y281-L284 PolarHBondContact N-O 3.19Å; Y281-L284 PolarHBondContact O-N 3.27Å; D282-L284 WeakPolarHBondContact O-CD1 3.49Å; D282-L284 PolarHBondContact O-N 3.02Å; D282-L284 VanDerWaalsContact O-N 3.08Å
285I92.6Very high85.8Confident111 Ų11175.6 Ų75.657%0.56942%0.423SS*.EExtended strand (participates in β ladder)trans-87.9116.3173.8-61.2175.8000108.1N221N221-I285 PolarHBondContact ND2-O 3.02Å
286L92.9Very high83.6Confident1 Ų184 Ų841%0.00546%0.457CS..  trans-73.1137.7-179.6-56-175.4000110.6N221 L222 L234 V276 G278 F279 Y281N221-L286 WeakPolarHBondContact O-CD2 3.35Å; L222-L286 HydrophobicContact CD2-CD1 4.39Å; L222-L286 HydrophobicContact CD2-CD2 3.68Å; L222-L286 HydrophobicContact CG-CD2 4.47Å; L234-L286 HydrophobicContact CD2-CD1 3.72Å; V276-L286 HydrophobicContact CG1-CB 4.49Å; V276-L286 HydrophobicContact CG1-CD1 4.09Å; G278-L286 PolarHBondContact N-O 2.87Å; F279-L286 PolarHBondContact O-N 2.8Å; Y281-L286 HydrophobicContact CG-CD1 4.34Å
287N92.9Very high83.2Confident56 Ų5688 Ų8830%0.29948%0.479SS..EExtended strand (participates in β ladder)trans-114.6127.3168.3177.428.6000110T220 E289T220-N287 PolarHBondContact N-O 3.33Å; T220-N287 PolarHBondContact O-N 3.18Å; T220-N287 VanDerWaalsContact O-N 3.1Å; T220-N287 WeakPolarHBondContact OG1-CB 3.49Å; T220-N287 PolarHBondContact OG1-O 3.47Å; N287-E289 PolarHBondContact ND2-OE1 2.89Å
288V94.1Very high82.9Confident4 Ų489.6 Ų89.62%0.02448%0.483CS..EExtended strand (participates in β ladder)trans-119.2124.4-176.6-169.50000109.1I217 V219 F235 I273 V276I217-V288 HydrophobicContact CB-CG1 4.19Å; I217-V288 HydrophobicContact CD1-CG1 3.74Å; I217-V288 HydrophobicContact CG1-CG1 4.45Å; V219-V288 HydrophobicContact CG1-CG2 4.32Å; V219-V288 HydrophobicContact CG2-CG1 4.29Å; V219-V288 HydrophobicContact CG2-CG2 4.37Å; F235-V288 HydrophobicContact CZ-CG2 4.33Å; I273-V288 HydrophobicContact CG1-CG1 3.82Å; V276-V288 HydrophobicContact CB-CG2 3.98Å; V276-V288 HydrophobicContact CG1-CG2 3.74Å
289E93.6Very high82.6Confident82 Ų8291.8 Ų91.838%0.38348%0.481SS..EExtended strand (participates in β ladder)trans-133.1163.9-178.7-66.9177.2166.100110.7I217 R218 N287 A291I217-E289 CarbonylContact C-O 3.58Å; I217-E289 WeakPolarHBondContact CA-O 3.47Å; R218-E289 IonicContact CZ-OE2 2.74Å; R218-E289 PolarHBondContact N-O 2.84Å; R218-E289 IonicContact NH2-OE2 3.38Å; R218-E289 PolarHBondContact NH2-OE2 3.47Å; R218-E289 PolarHBondContact O-N 2.87Å; N287-E289 PolarHBondContact ND2-OE1 2.89Å; E289-A291 PolarHBondContact O-N 2.93Å
290W92.8Very high82.3Confident105 Ų10591.2 Ų91.240%0.39848%0.483SS..EExtended strand (participates in β ladder)trans-63.7135.5168.7-69.9105.5000110.8I217 R266 A269 A270 I273I217-W290 HydrophobicContact CG2-CE3 4.41Å; I217-W290 HydrophobicContact CG2-CZ3 4.38Å; R266-W290 HydrophobicContact CG-CH2 3.78Å; R266-W290 HydrophobicContact CG-CZ3 4.16Å; A269-W290 HydrophobicContact CB-CH2 3.77Å; A269-W290 HydrophobicContact CB-CZ3 3.74Å; A270-W290 HydrophobicContact CB-CH2 4.18Å; A270-W290 HydrophobicContact CB-CZ2 3.88Å; I273-W290 HydrophobicContact CD1-CD2 3.52Å; I273-W290 HydrophobicContact CD1-CE3 4.04Å; I273-W290 HydrophobicContact CD1-CG 3.91Å; I273-W290 HydrophobicContact CD1-CH2 4.12Å; I273-W290 HydrophobicContact CD1-CZ2 3.62Å; I273-W290 HydrophobicContact CD1-CZ3 4.31Å
291A89.1Confident81.8Confident20 Ų2093.8 Ų93.817%0.16548%0.481CS..PPolyproline II helixtrans-70137.2175.200000110T216 R218 F260 E289T216-A291 HydrophobicContact CG2-CB 3.66Å; T216-A291 WeakPolarHBondContact O-CB 3.21Å; T216-A291 PolarHBondContact O-N 3.45Å; R218-A291 HydrophobicContact CB-CB 4.33Å; F260-A291 HydrophobicContact CD1-CB 3.89Å; F260-A291 HydrophobicContact CE1-CB 4.07Å; E289-A291 PolarHBondContact O-N 2.93Å
292K84.6Confident81.4Confident183 Ų18396.1 Ų96.180%0.79650%0.498SS*.PPolyproline II helixtrans-70135.4169.1-66.1-178.7-179.1178.50107.7S294K292-S294 PolarHBondContact O-N 2.91Å
293P72.4Confident81.3Confident97 Ų9798.9 Ų98.963%0.6351%0.512SS*.PPolyproline II helixtrans-55.9131.9176.623-31.9000108.7N295P293-N295 VanDerWaalsContact C-N 3.33Å; P293-N295 PolarHBondContact O-N 3.21Å
294S61.6Low80.9Confident94 Ų9491.7 Ų91.766%0.65748%0.482SS*.  trans-70.992.6177.91790000108K292 N296K292-S294 PolarHBondContact O-N 2.91Å; S294-N296 VanDerWaalsContact C-N 3.3Å; S294-N296 PolarHBondContact O-N 2.95Å
295N54.1Low80.1Confident165 Ų16594.8 Ų94.888%0.88250%0.499SS*.  trans-66.496.2165.5-101.98.3000107.5P293P293-N295 VanDerWaalsContact C-N 3.33Å; P293-N295 PolarHBondContact O-N 3.21Å
296N41.1Very low79Confident220 Ų22093.4 Ų93.4100%1.17649%0.492SS*.  trans-98.40165-166.451.5000108.9S294S294-N296 VanDerWaalsContact C-N 3.3Å; S294-N296 PolarHBondContact O-N 2.95Å

Retrieved 296 of 296 residues in 553.4 ms (Link to these results)